data_4401 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4401 _Entry.Title ; Structure and Interaction Site of the Regulatory Domain of Troponin-C when Complexed with the 96-148 Region of Troponin-I ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1999-09-12 _Entry.Accession_date 1999-09-13 _Entry.Last_release_date 2005-05-26 _Entry.Original_release_date 2005-05-26 _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 R. McKay . T. . 4401 2 J. Pearlstone . R. . 4401 3 D. Corson . C. . 4401 4 S. Gagne . M. . 4401 5 L. Smillie . B. . 4401 6 B. Sykes . D. . 4401 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4401 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 324 4401 '15N chemical shifts' 88 4401 '1H chemical shifts' 542 4401 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-05-26 1999-09-12 original author . 4401 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4401 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98400947 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; McKay, R. T., Pearlstone, J. R., Corson, D. C., Gagne, S. M., Smillie, L. B., and Sykes, B. D., "Structure and Interaction Site of the Regulatory Domain of Troponin-C when Complexed with the 96-148 Region of Troponin-I," Biochemistry 37, 12419-12430 (1998). ; _Citation.Title ; Structure and Interaction Site of the Regulatory Domain of Troponin-C when Complexed with the 96-148 Region of Troponin-I ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 37 _Citation.Journal_issue 36 _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 12419 _Citation.Page_last 12430 _Citation.Year 1998 _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 R. McKay . T. . 4401 1 2 J. Pearlstone . R. . 4401 1 3 D. Corson . C. . 4401 1 4 S. Gagne . M. . 4401 1 5 L. Smillie . B. . 4401 1 6 B. Sykes . D. . 4401 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'calcium-binding regulation' 4401 1 contraction 4401 1 'skeletal muscle' 4401 1 'troponin C' 4401 1 stop_ save_ save_ref-48 _Citation.Sf_category citations _Citation.Sf_framecode ref-48 _Citation.Entry_ID 4401 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; Delaglio, F, Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., and Bax, A. (1995) J. Biomol. NMR 6, 277-293 ; _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 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 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; 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 F. Delaglio F. . . 4401 2 2 S. Grzesiek S. . . 4401 2 3 'G. W.' Vuister G. W. . 4401 2 4 G. Zhu G. . . 4401 2 5 J. Pfeifer J. . . 4401 2 6 A. Bax A. . . 4401 2 stop_ save_ save_ref-49 _Citation.Sf_category citations _Citation.Sf_framecode ref-49 _Citation.Entry_ID 4401 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Garrett, D.S., Powers, R., Gronenborn, A.M., and Clore, G.M. (1991) J. Magn. Reson. 95, 214-220 ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_sNTnC _Assembly.Sf_category assembly _Assembly.Sf_framecode system_sNTnC _Assembly.Entry_ID 4401 _Assembly.ID 1 _Assembly.Name 'skeletal N-troponin C' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; First structure of regulatory domain of skeletal TnC bound with a TnI peptide. Interactions between sNTnC and the TnI peptide appear to be mostly hydrophobic in nature ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4401 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 'skeletal N-Troponin C' 1 $sNTnC . . . native . . . . . 4401 1 2 'TnI peptide' 2 $TnI_peptide . . . native . . . . . 4401 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 1BLQ . 'Structure And Interaction Site Of The Regulatory Domain Of Troponin-C When Complexed With The 96-148 Region Of Troponin-I, Nmr, 29 Structures' . . . . 4401 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'skeletal N-troponin C' system 4401 1 sNTnC abbreviation 4401 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'regulates skeletal muscle contraction in a calcium dependent fashion' 4401 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_sNTnC _Entity.Sf_category entity _Entity.Sf_framecode sNTnC _Entity.Entry_ID 4401 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'skeletal N-troponin C' _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 ; ASMTDQQAEARAFLSEEMIA EFKAAFDMFDADGGGDISTK ELGTVMRMLGQNPTKEELDA IIEEVDEDGSGTIDFEEFLV MMVRQMKEDA ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Incorporatin of different NMR sensitive isotopes changes the molecular weight. (e.g. 2H, 13C, or 15N) The molecular mass is around 18000 Da. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16414 . TnC . . . . . 100.00 90 97.78 97.78 1.46e-52 . . . . 4401 1 2 no BMRB 4232 . apoTroponin-C . . . . . 100.00 90 100.00 100.00 1.61e-54 . . . . 4401 1 3 no PDB 1AVS . "X-Ray Crystallographic Study Of Calcium-Saturated N- Terminal Domain Of Troponin C" . . . . . 100.00 90 100.00 100.00 1.61e-54 . . . . 4401 1 4 no PDB 1BLQ . "Structure And Interaction Site Of The Regulatory Domain Of Troponin-C When Complexed With The 96-148 Region Of Troponin-I, Nmr," . . . . . 100.00 90 100.00 100.00 1.61e-54 . . . . 4401 1 5 no PDB 1NPQ . "Structure Of A Rhodamine-Labeled N-Domain Troponin C Mutant (Ca2+ Saturated) In Complex With Skeletal Troponin I 115- 131" . . . . . 100.00 90 97.78 97.78 1.46e-52 . . . . 4401 1 6 no PDB 1SKT . "Solution Structure Of Apo N-Domain Of Troponin C, Nmr, 40 Structures" . . . . . 100.00 90 100.00 100.00 1.61e-54 . . . . 4401 1 7 no PDB 1SMG . "Calcium-Bound E41a Mutant Of The N-Domain Of Chicken Troponin C, Nmr, 40 Structures" . . . . . 100.00 90 98.89 98.89 1.18e-53 . . . . 4401 1 8 no PDB 1TNP . "Structures Of The Apo And Calcium Troponin-C Regulatory Domains: The Muscle Contraction Switch" . . . . . 100.00 90 100.00 100.00 1.61e-54 . . . . 4401 1 9 no PDB 1TNQ . "Structures Of The Apo And Calcium Troponin-C Regulatory Domains: The Muscle Contraction Switch" . . . . . 100.00 90 100.00 100.00 1.61e-54 . . . . 4401 1 10 no PDB 1TRF . "Solution Structure Of The Tr1c Fragment Of Skeletal Muscle Troponin-C" . . . . . 84.44 76 100.00 100.00 2.31e-44 . . . . 4401 1 11 no PDB 1ZAC . "N-Domain Of Troponin C From Chicken Skeletal Muscle, Nmr, Minimized Average Structure" . . . . . 100.00 90 100.00 100.00 1.61e-54 . . . . 4401 1 12 no GB EMP28292 . "Acyl-coenzyme A thioesterase 8 [Chelonia mydas]" . . . . . 96.67 392 97.70 98.85 4.54e-49 . . . . 4401 1 13 no GB KFU86923 . "Troponin C, skeletal muscle, partial [Chaetura pelagica]" . . . . . 100.00 108 97.78 97.78 1.90e-52 . . . . 4401 1 14 no REF XP_007067817 . "PREDICTED: troponin C, skeletal muscle [Chelonia mydas]" . . . . . 96.67 160 97.70 98.85 4.55e-50 . . . . 4401 1 15 no REF XP_009321443 . "PREDICTED: troponin C, skeletal muscle [Pygoscelis adeliae]" . . . . . 76.67 120 100.00 100.00 2.03e-39 . . . . 4401 1 16 no REF XP_009582608 . "PREDICTED: troponin C, skeletal muscle, partial [Fulmarus glacialis]" . . . . . 73.33 120 100.00 100.00 3.69e-36 . . . . 4401 1 17 no REF XP_009693659 . "PREDICTED: troponin C, skeletal muscle, partial [Cariama cristata]" . . . . . 96.67 145 97.70 97.70 1.92e-49 . . . . 4401 1 18 no REF XP_009992324 . "PREDICTED: troponin C, skeletal muscle [Chaetura pelagica]" . . . . . 96.67 112 100.00 100.00 3.06e-52 . . . . 4401 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'skeletal N-troponin C' common 4401 1 sNTnC abbreviation 4401 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 . ALA . 4401 1 2 . SER . 4401 1 3 . MET . 4401 1 4 . THR . 4401 1 5 . ASP . 4401 1 6 . GLN . 4401 1 7 . GLN . 4401 1 8 . ALA . 4401 1 9 . GLU . 4401 1 10 . ALA . 4401 1 11 . ARG . 4401 1 12 . ALA . 4401 1 13 . PHE . 4401 1 14 . LEU . 4401 1 15 . SER . 4401 1 16 . GLU . 4401 1 17 . GLU . 4401 1 18 . MET . 4401 1 19 . ILE . 4401 1 20 . ALA . 4401 1 21 . GLU . 4401 1 22 . PHE . 4401 1 23 . LYS . 4401 1 24 . ALA . 4401 1 25 . ALA . 4401 1 26 . PHE . 4401 1 27 . ASP . 4401 1 28 . MET . 4401 1 29 . PHE . 4401 1 30 . ASP . 4401 1 31 . ALA . 4401 1 32 . ASP . 4401 1 33 . GLY . 4401 1 34 . GLY . 4401 1 35 . GLY . 4401 1 36 . ASP . 4401 1 37 . ILE . 4401 1 38 . SER . 4401 1 39 . THR . 4401 1 40 . LYS . 4401 1 41 . GLU . 4401 1 42 . LEU . 4401 1 43 . GLY . 4401 1 44 . THR . 4401 1 45 . VAL . 4401 1 46 . MET . 4401 1 47 . ARG . 4401 1 48 . MET . 4401 1 49 . LEU . 4401 1 50 . GLY . 4401 1 51 . GLN . 4401 1 52 . ASN . 4401 1 53 . PRO . 4401 1 54 . THR . 4401 1 55 . LYS . 4401 1 56 . GLU . 4401 1 57 . GLU . 4401 1 58 . LEU . 4401 1 59 . ASP . 4401 1 60 . ALA . 4401 1 61 . ILE . 4401 1 62 . ILE . 4401 1 63 . GLU . 4401 1 64 . GLU . 4401 1 65 . VAL . 4401 1 66 . ASP . 4401 1 67 . GLU . 4401 1 68 . ASP . 4401 1 69 . GLY . 4401 1 70 . SER . 4401 1 71 . GLY . 4401 1 72 . THR . 4401 1 73 . ILE . 4401 1 74 . ASP . 4401 1 75 . PHE . 4401 1 76 . GLU . 4401 1 77 . GLU . 4401 1 78 . PHE . 4401 1 79 . LEU . 4401 1 80 . VAL . 4401 1 81 . MET . 4401 1 82 . MET . 4401 1 83 . VAL . 4401 1 84 . ARG . 4401 1 85 . GLN . 4401 1 86 . MET . 4401 1 87 . LYS . 4401 1 88 . GLU . 4401 1 89 . ASP . 4401 1 90 . ALA . 4401 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 . ALA 1 1 4401 1 . SER 2 2 4401 1 . MET 3 3 4401 1 . THR 4 4 4401 1 . ASP 5 5 4401 1 . GLN 6 6 4401 1 . GLN 7 7 4401 1 . ALA 8 8 4401 1 . GLU 9 9 4401 1 . ALA 10 10 4401 1 . ARG 11 11 4401 1 . ALA 12 12 4401 1 . PHE 13 13 4401 1 . LEU 14 14 4401 1 . SER 15 15 4401 1 . GLU 16 16 4401 1 . GLU 17 17 4401 1 . MET 18 18 4401 1 . ILE 19 19 4401 1 . ALA 20 20 4401 1 . GLU 21 21 4401 1 . PHE 22 22 4401 1 . LYS 23 23 4401 1 . ALA 24 24 4401 1 . ALA 25 25 4401 1 . PHE 26 26 4401 1 . ASP 27 27 4401 1 . MET 28 28 4401 1 . PHE 29 29 4401 1 . ASP 30 30 4401 1 . ALA 31 31 4401 1 . ASP 32 32 4401 1 . GLY 33 33 4401 1 . GLY 34 34 4401 1 . GLY 35 35 4401 1 . ASP 36 36 4401 1 . ILE 37 37 4401 1 . SER 38 38 4401 1 . THR 39 39 4401 1 . LYS 40 40 4401 1 . GLU 41 41 4401 1 . LEU 42 42 4401 1 . GLY 43 43 4401 1 . THR 44 44 4401 1 . VAL 45 45 4401 1 . MET 46 46 4401 1 . ARG 47 47 4401 1 . MET 48 48 4401 1 . LEU 49 49 4401 1 . GLY 50 50 4401 1 . GLN 51 51 4401 1 . ASN 52 52 4401 1 . PRO 53 53 4401 1 . THR 54 54 4401 1 . LYS 55 55 4401 1 . GLU 56 56 4401 1 . GLU 57 57 4401 1 . LEU 58 58 4401 1 . ASP 59 59 4401 1 . ALA 60 60 4401 1 . ILE 61 61 4401 1 . ILE 62 62 4401 1 . GLU 63 63 4401 1 . GLU 64 64 4401 1 . VAL 65 65 4401 1 . ASP 66 66 4401 1 . GLU 67 67 4401 1 . ASP 68 68 4401 1 . GLY 69 69 4401 1 . SER 70 70 4401 1 . GLY 71 71 4401 1 . THR 72 72 4401 1 . ILE 73 73 4401 1 . ASP 74 74 4401 1 . PHE 75 75 4401 1 . GLU 76 76 4401 1 . GLU 77 77 4401 1 . PHE 78 78 4401 1 . LEU 79 79 4401 1 . VAL 80 80 4401 1 . MET 81 81 4401 1 . MET 82 82 4401 1 . VAL 83 83 4401 1 . ARG 84 84 4401 1 . GLN 85 85 4401 1 . MET 86 86 4401 1 . LYS 87 87 4401 1 . GLU 88 88 4401 1 . ASP 89 89 4401 1 . ALA 90 90 4401 1 stop_ save_ save_TnI_peptide _Entity.Sf_category entity _Entity.Sf_framecode TnI_peptide _Entity.Entry_ID 4401 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name sTnI115-131 _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 ; NQKLFDLRGKFKRPPLRRVR MSADAMLKALLGSKHKVAMD LRANLKQVKKEDT ; _Entity.Polymer_seq_one_letter_code . _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 53 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'rabbit skeletal troponin I peptide residues 96-148' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID sTnI115-131 common 4401 2 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 96 ASN . 4401 2 2 97 GLN . 4401 2 3 98 LYS . 4401 2 4 99 LEU . 4401 2 5 100 PHE . 4401 2 6 101 ASP . 4401 2 7 102 LEU . 4401 2 8 103 ARG . 4401 2 9 104 GLY . 4401 2 10 105 LYS . 4401 2 11 106 PHE . 4401 2 12 107 LYS . 4401 2 13 108 ARG . 4401 2 14 109 PRO . 4401 2 15 110 PRO . 4401 2 16 111 LEU . 4401 2 17 112 ARG . 4401 2 18 113 ARG . 4401 2 19 114 VAL . 4401 2 20 115 ARG . 4401 2 21 116 MET . 4401 2 22 117 SER . 4401 2 23 118 ALA . 4401 2 24 119 ASP . 4401 2 25 120 ALA . 4401 2 26 121 MET . 4401 2 27 122 LEU . 4401 2 28 123 LYS . 4401 2 29 124 ALA . 4401 2 30 125 LEU . 4401 2 31 126 LEU . 4401 2 32 127 GLY . 4401 2 33 128 SER . 4401 2 34 129 LYS . 4401 2 35 130 HIS . 4401 2 36 131 LYS . 4401 2 37 132 VAL . 4401 2 38 133 ALA . 4401 2 39 134 MET . 4401 2 40 135 ASP . 4401 2 41 136 LEU . 4401 2 42 137 ARG . 4401 2 43 138 ALA . 4401 2 44 139 ASN . 4401 2 45 140 LEU . 4401 2 46 141 LYS . 4401 2 47 142 GLN . 4401 2 48 143 VAL . 4401 2 49 144 LYS . 4401 2 50 145 LYS . 4401 2 51 146 GLU . 4401 2 52 147 ASP . 4401 2 53 148 THR . 4401 2 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 . ASN 1 1 4401 2 . GLN 2 2 4401 2 . LYS 3 3 4401 2 . LEU 4 4 4401 2 . PHE 5 5 4401 2 . ASP 6 6 4401 2 . LEU 7 7 4401 2 . ARG 8 8 4401 2 . GLY 9 9 4401 2 . LYS 10 10 4401 2 . PHE 11 11 4401 2 . LYS 12 12 4401 2 . ARG 13 13 4401 2 . PRO 14 14 4401 2 . PRO 15 15 4401 2 . LEU 16 16 4401 2 . ARG 17 17 4401 2 . ARG 18 18 4401 2 . VAL 19 19 4401 2 . ARG 20 20 4401 2 . MET 21 21 4401 2 . SER 22 22 4401 2 . ALA 23 23 4401 2 . ASP 24 24 4401 2 . ALA 25 25 4401 2 . MET 26 26 4401 2 . LEU 27 27 4401 2 . LYS 28 28 4401 2 . ALA 29 29 4401 2 . LEU 30 30 4401 2 . LEU 31 31 4401 2 . GLY 32 32 4401 2 . SER 33 33 4401 2 . LYS 34 34 4401 2 . HIS 35 35 4401 2 . LYS 36 36 4401 2 . VAL 37 37 4401 2 . ALA 38 38 4401 2 . MET 39 39 4401 2 . ASP 40 40 4401 2 . LEU 41 41 4401 2 . ARG 42 42 4401 2 . ALA 43 43 4401 2 . ASN 44 44 4401 2 . LEU 45 45 4401 2 . LYS 46 46 4401 2 . GLN 47 47 4401 2 . VAL 48 48 4401 2 . LYS 49 49 4401 2 . LYS 50 50 4401 2 . GLU 51 51 4401 2 . ASP 52 52 4401 2 . THR 53 53 4401 2 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 4401 _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 $sNTnC . 9031 organism . 'Gallus gallus' Chicken . . Eukaryota Metazoa Gallus gallus domesticus . . skeletal muscle . . . . . . . . . . . . . . . . 4401 1 2 2 $TnI_peptide . 9986 organism . 'Oryctolagus cuniculus' rabbit . . Eukaryota Metazoa . . . . . skeletal . . . . . . . . . . . . . . . . . 4401 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 4401 _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 $sNTnC . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3)/pLsS . . . . . . . . . . . . . . . pET3A . . . . . . 4401 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4401 _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 'skeletal N-troponin C' '[U-98% 13C; U-98% 15N]' . . 1 $sNTnC . . 0.7 . . mM . . . . 4401 1 2 KCl . . . . . . . 100 . . mM . . . . 4401 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4401 _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 'skeletal N-troponin C' '[U-98% 15N; U-88% 2H]' . . 1 $sNTnC . . 0.7 . . mM . . . . 4401 2 2 KCl . . . . . . . 100 . . mM . . . . 4401 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 4401 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'skeletal N-troponin C' unlabeled . . 1 $sNTnC . . 0.9 . . mM . . . . 4401 3 2 KCl . . . . . . . 100 . . mM . . . . 4401 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4401 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 10 mM 4401 1 pH 6.85 0.1 n/a 4401 1 pressure 1 0.1 atm 4401 1 temperature 303 1 K 4401 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4401 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing of data' 4401 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref-48 4401 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 4401 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'primitive interactive peak picker' 4401 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $ref-49 4401 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 4401 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity-Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 4401 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4401 _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_spectrometer1 Varian Unity-Inova . 500 . . . 4401 1 2 NMR_spectrometer2 Varian Unity . 600 . . . 4401 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 4401 _Experiment_list.ID 1 _Experiment_list.Details 'Full details can be found in the publication.' 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 15N-HMQC . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4401 1 2 15N-HSQC . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4401 1 3 TOCSY-hmqc . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4401 1 4 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4401 1 5 CBCA(CO)NNH . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4401 1 6 15N-noesyhsqc . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4401 1 7 15N-noesyhmqc . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4401 1 8 13C15N-noesy . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4401 1 9 HNCO . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4401 1 10 HNCA . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4401 1 11 HCACO . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 4401 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 4401 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 15N-HMQC _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 4401 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4401 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name TOCSY-hmqc _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 4401 _NMR_spec_expt.ID 4 _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4401 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCA(CO)NNH _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 4401 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 15N-noesyhsqc _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 4401 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 15N-noesyhmqc _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 4401 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 13C15N-noesy _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4401 _NMR_spec_expt.ID 9 _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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4401 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNCA _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 4401 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4401 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4401 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4401 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4401 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_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4401 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; Limited digital resolution and broad peaks result in the conservative estimate on chemical shift errors shown above. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4401 1 . . 2 $sample_2 . 4401 1 . . 3 $sample_3 . 4401 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.14 0.03 . 1 . . . . . . . . 4401 1 2 . 1 1 1 1 ALA HB1 H 1 1.55 0.03 . 1 . . . . . . . . 4401 1 3 . 1 1 1 1 ALA HB2 H 1 1.55 0.03 . 1 . . . . . . . . 4401 1 4 . 1 1 1 1 ALA HB3 H 1 1.55 0.03 . 1 . . . . . . . . 4401 1 5 . 1 1 1 1 ALA C C 13 174.00 0.50 . 1 . . . . . . . . 4401 1 6 . 1 1 1 1 ALA CA C 13 51.83 0.50 . 1 . . . . . . . . 4401 1 7 . 1 1 1 1 ALA CB C 13 19.65 0.50 . 1 . . . . . . . . 4401 1 8 . 1 1 2 2 SER HA H 1 4.53 0.03 . 1 . . . . . . . . 4401 1 9 . 1 1 2 2 SER HB2 H 1 3.90 0.03 . 1 . . . . . . . . 4401 1 10 . 1 1 2 2 SER HB3 H 1 3.90 0.03 . 1 . . . . . . . . 4401 1 11 . 1 1 2 2 SER C C 13 174.03 0.50 . 1 . . . . . . . . 4401 1 12 . 1 1 2 2 SER CA C 13 58.44 0.50 . 1 . . . . . . . . 4401 1 13 . 1 1 3 3 MET HA H 1 4.69 0.03 . 1 . . . . . . . . 4401 1 14 . 1 1 3 3 MET HE1 H 1 2.08 0.03 . 1 . . . . . . . . 4401 1 15 . 1 1 3 3 MET HE2 H 1 2.08 0.03 . 1 . . . . . . . . 4401 1 16 . 1 1 3 3 MET HE3 H 1 2.08 0.03 . 1 . . . . . . . . 4401 1 17 . 1 1 3 3 MET C C 13 176.75 0.50 . 1 . . . . . . . . 4401 1 18 . 1 1 3 3 MET CA C 13 56.13 0.50 . 1 . . . . . . . . 4401 1 19 . 1 1 3 3 MET CB C 13 34.06 0.50 . 1 . . . . . . . . 4401 1 20 . 1 1 3 3 MET CE C 13 16.88 0.50 . 1 . . . . . . . . 4401 1 21 . 1 1 4 4 THR H H 1 8.05 0.03 . 1 . . . . . . . . 4401 1 22 . 1 1 4 4 THR HA H 1 4.45 0.03 . 1 . . . . . . . . 4401 1 23 . 1 1 4 4 THR HB H 1 4.65 0.03 . 1 . . . . . . . . 4401 1 24 . 1 1 4 4 THR HG21 H 1 1.19 0.03 . 1 . . . . . . . . 4401 1 25 . 1 1 4 4 THR HG22 H 1 1.19 0.03 . 1 . . . . . . . . 4401 1 26 . 1 1 4 4 THR HG23 H 1 1.19 0.03 . 1 . . . . . . . . 4401 1 27 . 1 1 4 4 THR C C 13 175.10 0.50 . 1 . . . . . . . . 4401 1 28 . 1 1 4 4 THR CA C 13 61.38 0.50 . 1 . . . . . . . . 4401 1 29 . 1 1 4 4 THR CB C 13 70.48 0.50 . 1 . . . . . . . . 4401 1 30 . 1 1 4 4 THR CG2 C 13 21.61 0.50 . 1 . . . . . . . . 4401 1 31 . 1 1 4 4 THR N N 15 114.51 0.25 . 1 . . . . . . . . 4401 1 32 . 1 1 5 5 ASP H H 1 8.69 0.03 . 1 . . . . . . . . 4401 1 33 . 1 1 5 5 ASP HA H 1 4.46 0.03 . 1 . . . . . . . . 4401 1 34 . 1 1 5 5 ASP HB2 H 1 2.74 0.03 . 1 . . . . . . . . 4401 1 35 . 1 1 5 5 ASP HB3 H 1 2.64 0.03 . 1 . . . . . . . . 4401 1 36 . 1 1 5 5 ASP C C 13 178.62 0.50 . 1 . . . . . . . . 4401 1 37 . 1 1 5 5 ASP CA C 13 57.41 0.50 . 1 . . . . . . . . 4401 1 38 . 1 1 5 5 ASP CB C 13 40.38 0.50 . 1 . . . . . . . . 4401 1 39 . 1 1 5 5 ASP N N 15 121.64 0.25 . 1 . . . . . . . . 4401 1 40 . 1 1 6 6 GLN H H 1 8.89 0.03 . 1 . . . . . . . . 4401 1 41 . 1 1 6 6 GLN HA H 1 4.10 0.03 . 1 . . . . . . . . 4401 1 42 . 1 1 6 6 GLN HB2 H 1 2.19 0.03 . 1 . . . . . . . . 4401 1 43 . 1 1 6 6 GLN HB3 H 1 2.11 0.03 . 1 . . . . . . . . 4401 1 44 . 1 1 6 6 GLN HG2 H 1 2.50 0.03 . 1 . . . . . . . . 4401 1 45 . 1 1 6 6 GLN HG3 H 1 2.35 0.03 . 1 . . . . . . . . 4401 1 46 . 1 1 6 6 GLN HE21 H 1 7.33 0.03 . 1 . . . . . . . . 4401 1 47 . 1 1 6 6 GLN HE22 H 1 7.12 0.03 . 1 . . . . . . . . 4401 1 48 . 1 1 6 6 GLN C C 13 179.09 0.50 . 1 . . . . . . . . 4401 1 49 . 1 1 6 6 GLN CA C 13 59.13 0.50 . 1 . . . . . . . . 4401 1 50 . 1 1 6 6 GLN CB C 13 29.36 0.50 . 1 . . . . . . . . 4401 1 51 . 1 1 6 6 GLN CG C 13 35.46 0.50 . 1 . . . . . . . . 4401 1 52 . 1 1 6 6 GLN N N 15 119.52 0.25 . 1 . . . . . . . . 4401 1 53 . 1 1 6 6 GLN NE2 N 15 111.74 0.25 . 1 . . . . . . . . 4401 1 54 . 1 1 7 7 GLN H H 1 7.82 0.03 . 1 . . . . . . . . 4401 1 55 . 1 1 7 7 GLN HA H 1 3.94 0.03 . 1 . . . . . . . . 4401 1 56 . 1 1 7 7 GLN HB2 H 1 2.17 0.03 . 1 . . . . . . . . 4401 1 57 . 1 1 7 7 GLN HB3 H 1 2.08 0.03 . 1 . . . . . . . . 4401 1 58 . 1 1 7 7 GLN HG2 H 1 2.42 0.03 . 1 . . . . . . . . 4401 1 59 . 1 1 7 7 GLN HG3 H 1 2.42 0.03 . 1 . . . . . . . . 4401 1 60 . 1 1 7 7 GLN HE21 H 1 7.56 0.03 . 1 . . . . . . . . 4401 1 61 . 1 1 7 7 GLN HE22 H 1 7.23 0.03 . 1 . . . . . . . . 4401 1 62 . 1 1 7 7 GLN C C 13 177.82 0.50 . 1 . . . . . . . . 4401 1 63 . 1 1 7 7 GLN CA C 13 58.32 0.50 . 1 . . . . . . . . 4401 1 64 . 1 1 7 7 GLN CB C 13 27.53 0.50 . 1 . . . . . . . . 4401 1 65 . 1 1 7 7 GLN CG C 13 33.49 0.50 . 1 . . . . . . . . 4401 1 66 . 1 1 7 7 GLN N N 15 121.60 0.25 . 1 . . . . . . . . 4401 1 67 . 1 1 7 7 GLN NE2 N 15 111.09 0.25 . 1 . . . . . . . . 4401 1 68 . 1 1 8 8 ALA H H 1 8.50 0.03 . 1 . . . . . . . . 4401 1 69 . 1 1 8 8 ALA HA H 1 4.15 0.03 . 1 . . . . . . . . 4401 1 70 . 1 1 8 8 ALA HB1 H 1 1.48 0.03 . 1 . . . . . . . . 4401 1 71 . 1 1 8 8 ALA HB2 H 1 1.48 0.03 . 1 . . . . . . . . 4401 1 72 . 1 1 8 8 ALA HB3 H 1 1.48 0.03 . 1 . . . . . . . . 4401 1 73 . 1 1 8 8 ALA C C 13 181.00 0.50 . 1 . . . . . . . . 4401 1 74 . 1 1 8 8 ALA CA C 13 55.08 0.50 . 1 . . . . . . . . 4401 1 75 . 1 1 8 8 ALA CB C 13 18.30 0.50 . 1 . . . . . . . . 4401 1 76 . 1 1 8 8 ALA N N 15 123.01 0.25 . 1 . . . . . . . . 4401 1 77 . 1 1 9 9 GLU H H 1 8.13 0.03 . 1 . . . . . . . . 4401 1 78 . 1 1 9 9 GLU HA H 1 4.05 0.03 . 1 . . . . . . . . 4401 1 79 . 1 1 9 9 GLU HB2 H 1 2.09 0.03 . 1 . . . . . . . . 4401 1 80 . 1 1 9 9 GLU HB3 H 1 2.09 0.03 . 1 . . . . . . . . 4401 1 81 . 1 1 9 9 GLU HG2 H 1 2.38 0.03 . 1 . . . . . . . . 4401 1 82 . 1 1 9 9 GLU HG3 H 1 2.20 0.03 . 1 . . . . . . . . 4401 1 83 . 1 1 9 9 GLU C C 13 178.75 0.50 . 1 . . . . . . . . 4401 1 84 . 1 1 9 9 GLU CA C 13 59.12 0.50 . 1 . . . . . . . . 4401 1 85 . 1 1 9 9 GLU CB C 13 29.93 0.50 . 1 . . . . . . . . 4401 1 86 . 1 1 9 9 GLU CG C 13 36.62 0.50 . 1 . . . . . . . . 4401 1 87 . 1 1 9 9 GLU N N 15 119.25 0.25 . 1 . . . . . . . . 4401 1 88 . 1 1 10 10 ALA H H 1 7.92 0.03 . 1 . . . . . . . . 4401 1 89 . 1 1 10 10 ALA HA H 1 4.12 0.03 . 1 . . . . . . . . 4401 1 90 . 1 1 10 10 ALA HB1 H 1 1.41 0.03 . 1 . . . . . . . . 4401 1 91 . 1 1 10 10 ALA HB2 H 1 1.41 0.03 . 1 . . . . . . . . 4401 1 92 . 1 1 10 10 ALA HB3 H 1 1.41 0.03 . 1 . . . . . . . . 4401 1 93 . 1 1 10 10 ALA C C 13 179.13 0.50 . 1 . . . . . . . . 4401 1 94 . 1 1 10 10 ALA CA C 13 55.53 0.50 . 1 . . . . . . . . 4401 1 95 . 1 1 10 10 ALA CB C 13 18.38 0.50 . 1 . . . . . . . . 4401 1 96 . 1 1 10 10 ALA N N 15 122.56 0.25 . 1 . . . . . . . . 4401 1 97 . 1 1 11 11 ARG H H 1 7.96 0.03 . 1 . . . . . . . . 4401 1 98 . 1 1 11 11 ARG HA H 1 3.86 0.03 . 1 . . . . . . . . 4401 1 99 . 1 1 11 11 ARG HB2 H 1 1.83 0.03 . 1 . . . . . . . . 4401 1 100 . 1 1 11 11 ARG HB3 H 1 1.83 0.03 . 1 . . . . . . . . 4401 1 101 . 1 1 11 11 ARG HD2 H 1 3.15 0.03 . 1 . . . . . . . . 4401 1 102 . 1 1 11 11 ARG HD3 H 1 3.15 0.03 . 1 . . . . . . . . 4401 1 103 . 1 1 11 11 ARG C C 13 178.03 0.50 . 1 . . . . . . . . 4401 1 104 . 1 1 11 11 ARG CA C 13 59.69 0.50 . 1 . . . . . . . . 4401 1 105 . 1 1 11 11 ARG CB C 13 30.48 0.50 . 1 . . . . . . . . 4401 1 106 . 1 1 11 11 ARG CD C 13 43.28 0.50 . 1 . . . . . . . . 4401 1 107 . 1 1 11 11 ARG N N 15 114.85 0.25 . 1 . . . . . . . . 4401 1 108 . 1 1 12 12 ALA H H 1 7.68 0.03 . 1 . . . . . . . . 4401 1 109 . 1 1 12 12 ALA HA H 1 4.23 0.03 . 1 . . . . . . . . 4401 1 110 . 1 1 12 12 ALA HB1 H 1 1.44 0.03 . 1 . . . . . . . . 4401 1 111 . 1 1 12 12 ALA HB2 H 1 1.44 0.03 . 1 . . . . . . . . 4401 1 112 . 1 1 12 12 ALA HB3 H 1 1.44 0.03 . 1 . . . . . . . . 4401 1 113 . 1 1 12 12 ALA C C 13 178.58 0.50 . 1 . . . . . . . . 4401 1 114 . 1 1 12 12 ALA CA C 13 53.78 0.50 . 1 . . . . . . . . 4401 1 115 . 1 1 12 12 ALA CB C 13 18.48 0.50 . 1 . . . . . . . . 4401 1 116 . 1 1 12 12 ALA N N 15 119.16 0.25 . 1 . . . . . . . . 4401 1 117 . 1 1 13 13 PHE H H 1 7.66 0.03 . 1 . . . . . . . . 4401 1 118 . 1 1 13 13 PHE HA H 1 4.44 0.03 . 1 . . . . . . . . 4401 1 119 . 1 1 13 13 PHE HB2 H 1 3.26 0.03 . 1 . . . . . . . . 4401 1 120 . 1 1 13 13 PHE HB3 H 1 1.94 0.03 . 1 . . . . . . . . 4401 1 121 . 1 1 13 13 PHE HD1 H 1 7.29 0.03 . 3 . . . . . . . . 4401 1 122 . 1 1 13 13 PHE HD2 H 1 7.31 0.03 . 3 . . . . . . . . 4401 1 123 . 1 1 13 13 PHE HE2 H 1 7.39 0.03 . 3 . . . . . . . . 4401 1 124 . 1 1 13 13 PHE C C 13 175.62 0.50 . 1 . . . . . . . . 4401 1 125 . 1 1 13 13 PHE CA C 13 59.30 0.50 . 1 . . . . . . . . 4401 1 126 . 1 1 13 13 PHE CB C 13 41.06 0.50 . 1 . . . . . . . . 4401 1 127 . 1 1 13 13 PHE N N 15 117.22 0.25 . 1 . . . . . . . . 4401 1 128 . 1 1 14 14 LEU H H 1 7.40 0.03 . 1 . . . . . . . . 4401 1 129 . 1 1 14 14 LEU HA H 1 4.56 0.03 . 1 . . . . . . . . 4401 1 130 . 1 1 14 14 LEU HB2 H 1 1.95 0.03 . 1 . . . . . . . . 4401 1 131 . 1 1 14 14 LEU HB3 H 1 1.53 0.03 . 1 . . . . . . . . 4401 1 132 . 1 1 14 14 LEU HG H 1 2.09 0.03 . 1 . . . . . . . . 4401 1 133 . 1 1 14 14 LEU HD11 H 1 0.90 0.03 . 1 . . . . . . . . 4401 1 134 . 1 1 14 14 LEU HD12 H 1 0.90 0.03 . 1 . . . . . . . . 4401 1 135 . 1 1 14 14 LEU HD13 H 1 0.90 0.03 . 1 . . . . . . . . 4401 1 136 . 1 1 14 14 LEU HD21 H 1 1.10 0.03 . 1 . . . . . . . . 4401 1 137 . 1 1 14 14 LEU HD22 H 1 1.10 0.03 . 1 . . . . . . . . 4401 1 138 . 1 1 14 14 LEU HD23 H 1 1.10 0.03 . 1 . . . . . . . . 4401 1 139 . 1 1 14 14 LEU C C 13 175.98 0.50 . 1 . . . . . . . . 4401 1 140 . 1 1 14 14 LEU CA C 13 53.73 0.50 . 1 . . . . . . . . 4401 1 141 . 1 1 14 14 LEU CB C 13 45.27 0.50 . 1 . . . . . . . . 4401 1 142 . 1 1 14 14 LEU CG C 13 26.59 0.50 . 1 . . . . . . . . 4401 1 143 . 1 1 14 14 LEU CD1 C 13 28.25 0.50 . 1 . . . . . . . . 4401 1 144 . 1 1 14 14 LEU CD2 C 13 24.66 0.50 . 1 . . . . . . . . 4401 1 145 . 1 1 14 14 LEU N N 15 117.52 0.25 . 1 . . . . . . . . 4401 1 146 . 1 1 15 15 SER H H 1 7.75 0.03 . 1 . . . . . . . . 4401 1 147 . 1 1 15 15 SER HA H 1 4.62 0.03 . 1 . . . . . . . . 4401 1 148 . 1 1 15 15 SER HB2 H 1 4.45 0.03 . 1 . . . . . . . . 4401 1 149 . 1 1 15 15 SER HB3 H 1 4.05 0.03 . 1 . . . . . . . . 4401 1 150 . 1 1 15 15 SER C C 13 175.32 0.50 . 1 . . . . . . . . 4401 1 151 . 1 1 15 15 SER CA C 13 56.42 0.50 . 1 . . . . . . . . 4401 1 152 . 1 1 15 15 SER CB C 13 65.69 0.50 . 1 . . . . . . . . 4401 1 153 . 1 1 15 15 SER N N 15 115.90 0.25 . 1 . . . . . . . . 4401 1 154 . 1 1 16 16 GLU H H 1 9.12 0.03 . 1 . . . . . . . . 4401 1 155 . 1 1 16 16 GLU HA H 1 4.02 0.03 . 1 . . . . . . . . 4401 1 156 . 1 1 16 16 GLU HB2 H 1 2.09 0.03 . 1 . . . . . . . . 4401 1 157 . 1 1 16 16 GLU HB3 H 1 2.02 0.03 . 1 . . . . . . . . 4401 1 158 . 1 1 16 16 GLU HG2 H 1 2.44 0.03 . 1 . . . . . . . . 4401 1 159 . 1 1 16 16 GLU HG3 H 1 2.38 0.03 . 1 . . . . . . . . 4401 1 160 . 1 1 16 16 GLU C C 13 179.64 0.50 . 1 . . . . . . . . 4401 1 161 . 1 1 16 16 GLU CA C 13 60.19 0.50 . 1 . . . . . . . . 4401 1 162 . 1 1 16 16 GLU CB C 13 29.50 0.50 . 1 . . . . . . . . 4401 1 163 . 1 1 16 16 GLU CG C 13 36.76 0.50 . 1 . . . . . . . . 4401 1 164 . 1 1 16 16 GLU N N 15 121.62 0.25 . 1 . . . . . . . . 4401 1 165 . 1 1 17 17 GLU H H 1 8.94 0.03 . 1 . . . . . . . . 4401 1 166 . 1 1 17 17 GLU HA H 1 4.12 0.03 . 1 . . . . . . . . 4401 1 167 . 1 1 17 17 GLU HB2 H 1 2.08 0.03 . 1 . . . . . . . . 4401 1 168 . 1 1 17 17 GLU HB3 H 1 1.97 0.03 . 1 . . . . . . . . 4401 1 169 . 1 1 17 17 GLU HG2 H 1 2.38 0.03 . 1 . . . . . . . . 4401 1 170 . 1 1 17 17 GLU HG3 H 1 2.31 0.03 . 1 . . . . . . . . 4401 1 171 . 1 1 17 17 GLU C C 13 179.15 0.50 . 1 . . . . . . . . 4401 1 172 . 1 1 17 17 GLU CA C 13 60.13 0.50 . 1 . . . . . . . . 4401 1 173 . 1 1 17 17 GLU CB C 13 29.23 0.50 . 1 . . . . . . . . 4401 1 174 . 1 1 17 17 GLU CG C 13 36.77 0.50 . 1 . . . . . . . . 4401 1 175 . 1 1 17 17 GLU N N 15 119.31 0.25 . 1 . . . . . . . . 4401 1 176 . 1 1 18 18 MET H H 1 7.77 0.03 . 1 . . . . . . . . 4401 1 177 . 1 1 18 18 MET HA H 1 3.89 0.03 . 1 . . . . . . . . 4401 1 178 . 1 1 18 18 MET HB2 H 1 2.06 0.03 . 1 . . . . . . . . 4401 1 179 . 1 1 18 18 MET HE1 H 1 1.98 0.03 . 1 . . . . . . . . 4401 1 180 . 1 1 18 18 MET HE2 H 1 1.98 0.03 . 1 . . . . . . . . 4401 1 181 . 1 1 18 18 MET HE3 H 1 1.98 0.03 . 1 . . . . . . . . 4401 1 182 . 1 1 18 18 MET C C 13 178.32 0.50 . 1 . . . . . . . . 4401 1 183 . 1 1 18 18 MET CA C 13 58.41 0.50 . 1 . . . . . . . . 4401 1 184 . 1 1 18 18 MET CE C 13 17.37 0.50 . 1 . . . . . . . . 4401 1 185 . 1 1 18 18 MET N N 15 119.91 0.25 . 1 . . . . . . . . 4401 1 186 . 1 1 19 19 ILE H H 1 8.33 0.03 . 1 . . . . . . . . 4401 1 187 . 1 1 19 19 ILE HA H 1 3.75 0.03 . 1 . . . . . . . . 4401 1 188 . 1 1 19 19 ILE HB H 1 2.05 0.03 . 1 . . . . . . . . 4401 1 189 . 1 1 19 19 ILE HG12 H 1 1.70 0.03 . 1 . . . . . . . . 4401 1 190 . 1 1 19 19 ILE HG13 H 1 1.05 0.03 . 1 . . . . . . . . 4401 1 191 . 1 1 19 19 ILE HD11 H 1 0.95 0.03 . 1 . . . . . . . . 4401 1 192 . 1 1 19 19 ILE HD12 H 1 0.95 0.03 . 1 . . . . . . . . 4401 1 193 . 1 1 19 19 ILE HD13 H 1 0.95 0.03 . 1 . . . . . . . . 4401 1 194 . 1 1 19 19 ILE HG21 H 1 1.22 0.03 . 1 . . . . . . . . 4401 1 195 . 1 1 19 19 ILE HG22 H 1 1.22 0.03 . 1 . . . . . . . . 4401 1 196 . 1 1 19 19 ILE HG23 H 1 1.22 0.03 . 1 . . . . . . . . 4401 1 197 . 1 1 19 19 ILE C C 13 177.63 0.50 . 1 . . . . . . . . 4401 1 198 . 1 1 19 19 ILE CA C 13 67.06 0.50 . 1 . . . . . . . . 4401 1 199 . 1 1 19 19 ILE CB C 13 37.89 0.50 . 1 . . . . . . . . 4401 1 200 . 1 1 19 19 ILE CG1 C 13 28.87 0.50 . 1 . . . . . . . . 4401 1 201 . 1 1 19 19 ILE CD1 C 13 13.70 0.50 . 1 . . . . . . . . 4401 1 202 . 1 1 19 19 ILE CG2 C 13 17.64 0.50 . 1 . . . . . . . . 4401 1 203 . 1 1 19 19 ILE N N 15 119.74 0.25 . 1 . . . . . . . . 4401 1 204 . 1 1 20 20 ALA H H 1 7.98 0.03 . 1 . . . . . . . . 4401 1 205 . 1 1 20 20 ALA HA H 1 4.25 0.03 . 1 . . . . . . . . 4401 1 206 . 1 1 20 20 ALA HB1 H 1 1.55 0.03 . 1 . . . . . . . . 4401 1 207 . 1 1 20 20 ALA HB2 H 1 1.55 0.03 . 1 . . . . . . . . 4401 1 208 . 1 1 20 20 ALA HB3 H 1 1.55 0.03 . 1 . . . . . . . . 4401 1 209 . 1 1 20 20 ALA C C 13 180.26 0.50 . 1 . . . . . . . . 4401 1 210 . 1 1 20 20 ALA CA C 13 55.34 0.50 . 1 . . . . . . . . 4401 1 211 . 1 1 20 20 ALA CB C 13 17.92 0.50 . 1 . . . . . . . . 4401 1 212 . 1 1 20 20 ALA N N 15 120.49 0.25 . 1 . . . . . . . . 4401 1 213 . 1 1 21 21 GLU H H 1 7.68 0.03 . 1 . . . . . . . . 4401 1 214 . 1 1 21 21 GLU HA H 1 4.16 0.03 . 1 . . . . . . . . 4401 1 215 . 1 1 21 21 GLU HB2 H 1 2.08 0.03 . 1 . . . . . . . . 4401 1 216 . 1 1 21 21 GLU HB3 H 1 1.96 0.03 . 1 . . . . . . . . 4401 1 217 . 1 1 21 21 GLU C C 13 178.82 0.50 . 1 . . . . . . . . 4401 1 218 . 1 1 21 21 GLU CA C 13 58.28 0.50 . 1 . . . . . . . . 4401 1 219 . 1 1 21 21 GLU CB C 13 29.09 0.50 . 1 . . . . . . . . 4401 1 220 . 1 1 21 21 GLU N N 15 120.23 0.25 . 1 . . . . . . . . 4401 1 221 . 1 1 22 22 PHE H H 1 8.83 0.03 . 1 . . . . . . . . 4401 1 222 . 1 1 22 22 PHE HA H 1 5.01 0.03 . 1 . . . . . . . . 4401 1 223 . 1 1 22 22 PHE HB2 H 1 3.52 0.03 . 1 . . . . . . . . 4401 1 224 . 1 1 22 22 PHE HB3 H 1 3.52 0.03 . 1 . . . . . . . . 4401 1 225 . 1 1 22 22 PHE C C 13 178.65 0.50 . 1 . . . . . . . . 4401 1 226 . 1 1 22 22 PHE CA C 13 60.56 0.50 . 1 . . . . . . . . 4401 1 227 . 1 1 22 22 PHE CB C 13 37.79 0.50 . 1 . . . . . . . . 4401 1 228 . 1 1 22 22 PHE N N 15 118.57 0.25 . 1 . . . . . . . . 4401 1 229 . 1 1 23 23 LYS H H 1 9.27 0.03 . 1 . . . . . . . . 4401 1 230 . 1 1 23 23 LYS HA H 1 3.99 0.03 . 1 . . . . . . . . 4401 1 231 . 1 1 23 23 LYS HB2 H 1 1.96 0.03 . 1 . . . . . . . . 4401 1 232 . 1 1 23 23 LYS HB3 H 1 1.96 0.03 . 1 . . . . . . . . 4401 1 233 . 1 1 23 23 LYS HG2 H 1 1.11 0.03 . 1 . . . . . . . . 4401 1 234 . 1 1 23 23 LYS HG3 H 1 1.11 0.03 . 1 . . . . . . . . 4401 1 235 . 1 1 23 23 LYS HD2 H 1 1.40 0.03 . 1 . . . . . . . . 4401 1 236 . 1 1 23 23 LYS HE2 H 1 2.60 0.03 . 1 . . . . . . . . 4401 1 237 . 1 1 23 23 LYS HE3 H 1 2.60 0.03 . 1 . . . . . . . . 4401 1 238 . 1 1 23 23 LYS C C 13 177.22 0.50 . 1 . . . . . . . . 4401 1 239 . 1 1 23 23 LYS CA C 13 58.56 0.50 . 1 . . . . . . . . 4401 1 240 . 1 1 23 23 LYS CB C 13 31.25 0.50 . 1 . . . . . . . . 4401 1 241 . 1 1 23 23 LYS CG C 13 24.31 0.50 . 1 . . . . . . . . 4401 1 242 . 1 1 23 23 LYS CD C 13 26.94 0.50 . 1 . . . . . . . . 4401 1 243 . 1 1 23 23 LYS CE C 13 41.88 0.50 . 1 . . . . . . . . 4401 1 244 . 1 1 23 23 LYS N N 15 123.85 0.25 . 1 . . . . . . . . 4401 1 245 . 1 1 24 24 ALA H H 1 7.66 0.03 . 1 . . . . . . . . 4401 1 246 . 1 1 24 24 ALA HA H 1 4.25 0.03 . 1 . . . . . . . . 4401 1 247 . 1 1 24 24 ALA HB1 H 1 1.57 0.03 . 1 . . . . . . . . 4401 1 248 . 1 1 24 24 ALA HB2 H 1 1.57 0.03 . 1 . . . . . . . . 4401 1 249 . 1 1 24 24 ALA HB3 H 1 1.57 0.03 . 1 . . . . . . . . 4401 1 250 . 1 1 24 24 ALA CA C 13 55.07 0.50 . 1 . . . . . . . . 4401 1 251 . 1 1 24 24 ALA CB C 13 17.75 0.50 . 1 . . . . . . . . 4401 1 252 . 1 1 24 24 ALA N N 15 121.70 0.25 . 1 . . . . . . . . 4401 1 253 . 1 1 25 25 ALA H H 1 7.69 0.03 . 1 . . . . . . . . 4401 1 254 . 1 1 25 25 ALA HA H 1 4.09 0.03 . 1 . . . . . . . . 4401 1 255 . 1 1 25 25 ALA HB1 H 1 1.76 0.03 . 1 . . . . . . . . 4401 1 256 . 1 1 25 25 ALA HB2 H 1 1.76 0.03 . 1 . . . . . . . . 4401 1 257 . 1 1 25 25 ALA HB3 H 1 1.76 0.03 . 1 . . . . . . . . 4401 1 258 . 1 1 25 25 ALA CA C 13 53.87 0.50 . 1 . . . . . . . . 4401 1 259 . 1 1 25 25 ALA CB C 13 18.46 0.50 . 1 . . . . . . . . 4401 1 260 . 1 1 25 25 ALA N N 15 121.63 0.25 . 1 . . . . . . . . 4401 1 261 . 1 1 26 26 PHE HA H 1 3.22 0.03 . 1 . . . . . . . . 4401 1 262 . 1 1 26 26 PHE HB2 H 1 2.72 0.03 . 1 . . . . . . . . 4401 1 263 . 1 1 26 26 PHE HB3 H 1 2.72 0.03 . 1 . . . . . . . . 4401 1 264 . 1 1 26 26 PHE HE1 H 1 7.10 0.03 . 3 . . . . . . . . 4401 1 265 . 1 1 26 26 PHE C C 13 176.71 0.50 . 1 . . . . . . . . 4401 1 266 . 1 1 26 26 PHE CA C 13 62.49 0.50 . 1 . . . . . . . . 4401 1 267 . 1 1 26 26 PHE CB C 13 39.83 0.50 . 1 . . . . . . . . 4401 1 268 . 1 1 27 27 ASP H H 1 8.49 0.03 . 1 . . . . . . . . 4401 1 269 . 1 1 27 27 ASP HA H 1 4.22 0.03 . 1 . . . . . . . . 4401 1 270 . 1 1 27 27 ASP HB2 H 1 2.67 0.03 . 1 . . . . . . . . 4401 1 271 . 1 1 27 27 ASP HB3 H 1 2.63 0.03 . 1 . . . . . . . . 4401 1 272 . 1 1 27 27 ASP C C 13 177.92 0.50 . 1 . . . . . . . . 4401 1 273 . 1 1 27 27 ASP CA C 13 57.20 0.50 . 1 . . . . . . . . 4401 1 274 . 1 1 27 27 ASP CB C 13 40.03 0.50 . 1 . . . . . . . . 4401 1 275 . 1 1 27 27 ASP N N 15 118.17 0.25 . 1 . . . . . . . . 4401 1 276 . 1 1 28 28 MET H H 1 7.46 0.03 . 1 . . . . . . . . 4401 1 277 . 1 1 28 28 MET HA H 1 4.11 0.03 . 1 . . . . . . . . 4401 1 278 . 1 1 28 28 MET C C 13 177.86 0.50 . 1 . . . . . . . . 4401 1 279 . 1 1 28 28 MET CA C 13 58.21 0.50 . 1 . . . . . . . . 4401 1 280 . 1 1 28 28 MET N N 15 117.21 0.25 . 1 . . . . . . . . 4401 1 281 . 1 1 29 29 PHE H H 1 7.72 0.03 . 1 . . . . . . . . 4401 1 282 . 1 1 29 29 PHE HA H 1 4.20 0.03 . 1 . . . . . . . . 4401 1 283 . 1 1 29 29 PHE HB2 H 1 2.97 0.03 . 1 . . . . . . . . 4401 1 284 . 1 1 29 29 PHE HB3 H 1 2.75 0.03 . 1 . . . . . . . . 4401 1 285 . 1 1 29 29 PHE C C 13 177.78 0.50 . 1 . . . . . . . . 4401 1 286 . 1 1 29 29 PHE CA C 13 58.25 0.50 . 1 . . . . . . . . 4401 1 287 . 1 1 29 29 PHE N N 15 117.00 0.25 . 1 . . . . . . . . 4401 1 288 . 1 1 30 30 ASP H H 1 8.00 0.03 . 1 . . . . . . . . 4401 1 289 . 1 1 30 30 ASP HA H 1 4.51 0.03 . 1 . . . . . . . . 4401 1 290 . 1 1 30 30 ASP HB2 H 1 2.45 0.03 . 1 . . . . . . . . 4401 1 291 . 1 1 30 30 ASP HB3 H 1 1.44 0.03 . 1 . . . . . . . . 4401 1 292 . 1 1 30 30 ASP C C 13 176.64 0.50 . 1 . . . . . . . . 4401 1 293 . 1 1 30 30 ASP CA C 13 52.37 0.50 . 1 . . . . . . . . 4401 1 294 . 1 1 30 30 ASP CB C 13 38.86 0.50 . 1 . . . . . . . . 4401 1 295 . 1 1 30 30 ASP N N 15 118.01 0.25 . 1 . . . . . . . . 4401 1 296 . 1 1 31 31 ALA H H 1 7.74 0.03 . 1 . . . . . . . . 4401 1 297 . 1 1 31 31 ALA HA H 1 4.09 0.03 . 1 . . . . . . . . 4401 1 298 . 1 1 31 31 ALA HB1 H 1 1.44 0.03 . 1 . . . . . . . . 4401 1 299 . 1 1 31 31 ALA HB2 H 1 1.44 0.03 . 1 . . . . . . . . 4401 1 300 . 1 1 31 31 ALA HB3 H 1 1.44 0.03 . 1 . . . . . . . . 4401 1 301 . 1 1 31 31 ALA C C 13 179.10 0.50 . 1 . . . . . . . . 4401 1 302 . 1 1 31 31 ALA CA C 13 55.06 0.50 . 1 . . . . . . . . 4401 1 303 . 1 1 31 31 ALA CB C 13 19.44 0.50 . 1 . . . . . . . . 4401 1 304 . 1 1 31 31 ALA N N 15 128.95 0.25 . 1 . . . . . . . . 4401 1 305 . 1 1 32 32 ASP H H 1 8.13 0.03 . 1 . . . . . . . . 4401 1 306 . 1 1 32 32 ASP HA H 1 4.63 0.03 . 1 . . . . . . . . 4401 1 307 . 1 1 32 32 ASP HB2 H 1 3.13 0.03 . 1 . . . . . . . . 4401 1 308 . 1 1 32 32 ASP HB3 H 1 2.75 0.03 . 1 . . . . . . . . 4401 1 309 . 1 1 32 32 ASP C C 13 177.79 0.50 . 1 . . . . . . . . 4401 1 310 . 1 1 32 32 ASP CA C 13 52.90 0.50 . 1 . . . . . . . . 4401 1 311 . 1 1 32 32 ASP CB C 13 39.95 0.50 . 1 . . . . . . . . 4401 1 312 . 1 1 32 32 ASP N N 15 112.80 0.25 . 1 . . . . . . . . 4401 1 313 . 1 1 33 33 GLY H H 1 8.03 0.03 . 1 . . . . . . . . 4401 1 314 . 1 1 33 33 GLY HA2 H 1 3.85 0.03 . 1 . . . . . . . . 4401 1 315 . 1 1 33 33 GLY HA3 H 1 3.85 0.03 . 1 . . . . . . . . 4401 1 316 . 1 1 33 33 GLY C C 13 175.80 0.50 . 1 . . . . . . . . 4401 1 317 . 1 1 33 33 GLY CA C 13 46.96 0.50 . 1 . . . . . . . . 4401 1 318 . 1 1 33 33 GLY N N 15 110.25 0.25 . 1 . . . . . . . . 4401 1 319 . 1 1 34 34 GLY H H 1 8.14 0.03 . 1 . . . . . . . . 4401 1 320 . 1 1 34 34 GLY HA2 H 1 4.11 0.03 . 1 . . . . . . . . 4401 1 321 . 1 1 34 34 GLY HA3 H 1 4.00 0.03 . 1 . . . . . . . . 4401 1 322 . 1 1 34 34 GLY C C 13 175.99 0.50 . 1 . . . . . . . . 4401 1 323 . 1 1 34 34 GLY CA C 13 46.44 0.50 . 1 . . . . . . . . 4401 1 324 . 1 1 34 34 GLY N N 15 108.02 0.25 . 1 . . . . . . . . 4401 1 325 . 1 1 35 35 GLY H H 1 10.72 0.03 . 1 . . . . . . . . 4401 1 326 . 1 1 35 35 GLY HA2 H 1 4.49 0.03 . 1 . . . . . . . . 4401 1 327 . 1 1 35 35 GLY HA3 H 1 3.68 0.03 . 1 . . . . . . . . 4401 1 328 . 1 1 35 35 GLY C C 13 173.24 0.50 . 1 . . . . . . . . 4401 1 329 . 1 1 35 35 GLY CA C 13 45.15 0.50 . 1 . . . . . . . . 4401 1 330 . 1 1 35 35 GLY N N 15 112.36 0.25 . 1 . . . . . . . . 4401 1 331 . 1 1 36 36 ASP H H 1 7.75 0.03 . 1 . . . . . . . . 4401 1 332 . 1 1 36 36 ASP HA H 1 5.14 0.03 . 1 . . . . . . . . 4401 1 333 . 1 1 36 36 ASP HB2 H 1 2.26 0.03 . 1 . . . . . . . . 4401 1 334 . 1 1 36 36 ASP HB3 H 1 3.06 0.03 . 1 . . . . . . . . 4401 1 335 . 1 1 36 36 ASP C C 13 173.17 0.50 . 1 . . . . . . . . 4401 1 336 . 1 1 36 36 ASP CA C 13 52.72 0.50 . 1 . . . . . . . . 4401 1 337 . 1 1 36 36 ASP CB C 13 41.36 0.50 . 1 . . . . . . . . 4401 1 338 . 1 1 36 36 ASP N N 15 114.68 0.25 . 1 . . . . . . . . 4401 1 339 . 1 1 37 37 ILE H H 1 9.57 0.03 . 1 . . . . . . . . 4401 1 340 . 1 1 37 37 ILE HA H 1 4.95 0.03 . 1 . . . . . . . . 4401 1 341 . 1 1 37 37 ILE HB H 1 1.82 0.03 . 1 . . . . . . . . 4401 1 342 . 1 1 37 37 ILE HG12 H 1 1.22 0.03 . 1 . . . . . . . . 4401 1 343 . 1 1 37 37 ILE HG13 H 1 1.22 0.03 . 1 . . . . . . . . 4401 1 344 . 1 1 37 37 ILE HD11 H 1 0.44 0.03 . 1 . . . . . . . . 4401 1 345 . 1 1 37 37 ILE HD12 H 1 0.44 0.03 . 1 . . . . . . . . 4401 1 346 . 1 1 37 37 ILE HD13 H 1 0.44 0.03 . 1 . . . . . . . . 4401 1 347 . 1 1 37 37 ILE HG21 H 1 0.98 0.03 . 1 . . . . . . . . 4401 1 348 . 1 1 37 37 ILE HG22 H 1 0.98 0.03 . 1 . . . . . . . . 4401 1 349 . 1 1 37 37 ILE HG23 H 1 0.98 0.03 . 1 . . . . . . . . 4401 1 350 . 1 1 37 37 ILE C C 13 175.81 0.50 . 1 . . . . . . . . 4401 1 351 . 1 1 37 37 ILE CA C 13 60.18 0.50 . 1 . . . . . . . . 4401 1 352 . 1 1 37 37 ILE CB C 13 39.99 0.50 . 1 . . . . . . . . 4401 1 353 . 1 1 37 37 ILE CG1 C 13 27.13 0.50 . 1 . . . . . . . . 4401 1 354 . 1 1 37 37 ILE CD1 C 13 14.82 0.50 . 1 . . . . . . . . 4401 1 355 . 1 1 37 37 ILE CG2 C 13 17.88 0.50 . 1 . . . . . . . . 4401 1 356 . 1 1 37 37 ILE N N 15 124.30 0.25 . 1 . . . . . . . . 4401 1 357 . 1 1 38 38 SER H H 1 8.70 0.03 . 1 . . . . . . . . 4401 1 358 . 1 1 38 38 SER HA H 1 4.84 0.03 . 1 . . . . . . . . 4401 1 359 . 1 1 38 38 SER HB2 H 1 4.51 0.03 . 1 . . . . . . . . 4401 1 360 . 1 1 38 38 SER HB3 H 1 4.03 0.03 . 1 . . . . . . . . 4401 1 361 . 1 1 38 38 SER C C 13 175.76 0.50 . 1 . . . . . . . . 4401 1 362 . 1 1 38 38 SER CA C 13 56.04 0.50 . 1 . . . . . . . . 4401 1 363 . 1 1 38 38 SER CB C 13 66.62 0.50 . 1 . . . . . . . . 4401 1 364 . 1 1 38 38 SER N N 15 122.48 0.25 . 1 . . . . . . . . 4401 1 365 . 1 1 39 39 THR H H 1 9.17 0.03 . 1 . . . . . . . . 4401 1 366 . 1 1 39 39 THR HA H 1 3.83 0.03 . 1 . . . . . . . . 4401 1 367 . 1 1 39 39 THR HB H 1 4.20 0.03 . 1 . . . . . . . . 4401 1 368 . 1 1 39 39 THR HG21 H 1 1.38 0.03 . 1 . . . . . . . . 4401 1 369 . 1 1 39 39 THR HG22 H 1 1.38 0.03 . 1 . . . . . . . . 4401 1 370 . 1 1 39 39 THR HG23 H 1 1.38 0.03 . 1 . . . . . . . . 4401 1 371 . 1 1 39 39 THR C C 13 177.06 0.50 . 1 . . . . . . . . 4401 1 372 . 1 1 39 39 THR CA C 13 67.26 0.50 . 1 . . . . . . . . 4401 1 373 . 1 1 39 39 THR CB C 13 68.43 0.50 . 1 . . . . . . . . 4401 1 374 . 1 1 39 39 THR CG2 C 13 23.35 0.50 . 1 . . . . . . . . 4401 1 375 . 1 1 39 39 THR N N 15 114.28 0.25 . 1 . . . . . . . . 4401 1 376 . 1 1 40 40 LYS H H 1 7.89 0.03 . 1 . . . . . . . . 4401 1 377 . 1 1 40 40 LYS HA H 1 4.14 0.03 . 1 . . . . . . . . 4401 1 378 . 1 1 40 40 LYS HB2 H 1 1.92 0.03 . 1 . . . . . . . . 4401 1 379 . 1 1 40 40 LYS HB3 H 1 1.79 0.03 . 1 . . . . . . . . 4401 1 380 . 1 1 40 40 LYS HG2 H 1 1.52 0.03 . 1 . . . . . . . . 4401 1 381 . 1 1 40 40 LYS HG3 H 1 1.42 0.03 . 1 . . . . . . . . 4401 1 382 . 1 1 40 40 LYS HD2 H 1 1.71 0.03 . 1 . . . . . . . . 4401 1 383 . 1 1 40 40 LYS HD3 H 1 1.71 0.03 . 1 . . . . . . . . 4401 1 384 . 1 1 40 40 LYS HE2 H 1 3.02 0.03 . 1 . . . . . . . . 4401 1 385 . 1 1 40 40 LYS HE3 H 1 3.02 0.03 . 1 . . . . . . . . 4401 1 386 . 1 1 40 40 LYS C C 13 180.03 0.50 . 1 . . . . . . . . 4401 1 387 . 1 1 40 40 LYS CA C 13 59.55 0.50 . 1 . . . . . . . . 4401 1 388 . 1 1 40 40 LYS CB C 13 35.14 0.50 . 1 . . . . . . . . 4401 1 389 . 1 1 40 40 LYS CG C 13 24.64 0.50 . 1 . . . . . . . . 4401 1 390 . 1 1 40 40 LYS CD C 13 29.27 0.50 . 1 . . . . . . . . 4401 1 391 . 1 1 40 40 LYS CE C 13 42.05 0.50 . 1 . . . . . . . . 4401 1 392 . 1 1 40 40 LYS N N 15 120.86 0.25 . 1 . . . . . . . . 4401 1 393 . 1 1 41 41 GLU H H 1 7.74 0.03 . 1 . . . . . . . . 4401 1 394 . 1 1 41 41 GLU HA H 1 4.13 0.03 . 1 . . . . . . . . 4401 1 395 . 1 1 41 41 GLU HB3 H 1 2.36 0.03 . 1 . . . . . . . . 4401 1 396 . 1 1 41 41 GLU HG2 H 1 2.48 0.03 . 1 . . . . . . . . 4401 1 397 . 1 1 41 41 GLU HG3 H 1 2.48 0.03 . 1 . . . . . . . . 4401 1 398 . 1 1 41 41 GLU C C 13 179.74 0.50 . 1 . . . . . . . . 4401 1 399 . 1 1 41 41 GLU CA C 13 59.03 0.50 . 1 . . . . . . . . 4401 1 400 . 1 1 41 41 GLU CB C 13 29.84 0.50 . 1 . . . . . . . . 4401 1 401 . 1 1 41 41 GLU N N 15 121.31 0.25 . 1 . . . . . . . . 4401 1 402 . 1 1 42 42 LEU H H 1 8.76 0.03 . 1 . . . . . . . . 4401 1 403 . 1 1 42 42 LEU HA H 1 4.01 0.03 . 1 . . . . . . . . 4401 1 404 . 1 1 42 42 LEU HB2 H 1 1.76 0.03 . 1 . . . . . . . . 4401 1 405 . 1 1 42 42 LEU HB3 H 1 1.60 0.03 . 1 . . . . . . . . 4401 1 406 . 1 1 42 42 LEU HG H 1 1.60 0.03 . 1 . . . . . . . . 4401 1 407 . 1 1 42 42 LEU HD11 H 1 0.89 0.03 . 1 . . . . . . . . 4401 1 408 . 1 1 42 42 LEU HD12 H 1 0.89 0.03 . 1 . . . . . . . . 4401 1 409 . 1 1 42 42 LEU HD13 H 1 0.89 0.03 . 1 . . . . . . . . 4401 1 410 . 1 1 42 42 LEU HD21 H 1 0.83 0.03 . 1 . . . . . . . . 4401 1 411 . 1 1 42 42 LEU HD22 H 1 0.83 0.03 . 1 . . . . . . . . 4401 1 412 . 1 1 42 42 LEU HD23 H 1 0.83 0.03 . 1 . . . . . . . . 4401 1 413 . 1 1 42 42 LEU C C 13 178.77 0.50 . 1 . . . . . . . . 4401 1 414 . 1 1 42 42 LEU CA C 13 58.03 0.50 . 1 . . . . . . . . 4401 1 415 . 1 1 42 42 LEU CB C 13 42.64 0.50 . 1 . . . . . . . . 4401 1 416 . 1 1 42 42 LEU CG C 13 26.67 0.50 . 1 . . . . . . . . 4401 1 417 . 1 1 42 42 LEU CD2 C 13 23.44 0.50 . 1 . . . . . . . . 4401 1 418 . 1 1 42 42 LEU N N 15 121.05 0.25 . 1 . . . . . . . . 4401 1 419 . 1 1 43 43 GLY H H 1 8.64 0.03 . 1 . . . . . . . . 4401 1 420 . 1 1 43 43 GLY HA2 H 1 3.60 0.03 . 1 . . . . . . . . 4401 1 421 . 1 1 43 43 GLY HA3 H 1 4.01 0.03 . 1 . . . . . . . . 4401 1 422 . 1 1 43 43 GLY C C 13 175.40 0.50 . 1 . . . . . . . . 4401 1 423 . 1 1 43 43 GLY CA C 13 48.34 0.50 . 1 . . . . . . . . 4401 1 424 . 1 1 43 43 GLY N N 15 105.49 0.25 . 1 . . . . . . . . 4401 1 425 . 1 1 44 44 THR H H 1 7.93 0.03 . 1 . . . . . . . . 4401 1 426 . 1 1 44 44 THR HA H 1 3.92 0.03 . 1 . . . . . . . . 4401 1 427 . 1 1 44 44 THR HB H 1 4.35 0.03 . 1 . . . . . . . . 4401 1 428 . 1 1 44 44 THR HG21 H 1 1.29 0.03 . 1 . . . . . . . . 4401 1 429 . 1 1 44 44 THR HG22 H 1 1.29 0.03 . 1 . . . . . . . . 4401 1 430 . 1 1 44 44 THR HG23 H 1 1.29 0.03 . 1 . . . . . . . . 4401 1 431 . 1 1 44 44 THR C C 13 176.54 0.50 . 1 . . . . . . . . 4401 1 432 . 1 1 44 44 THR CA C 13 67.22 0.50 . 1 . . . . . . . . 4401 1 433 . 1 1 44 44 THR CB C 13 69.11 0.50 . 1 . . . . . . . . 4401 1 434 . 1 1 44 44 THR CG2 C 13 21.86 0.50 . 1 . . . . . . . . 4401 1 435 . 1 1 44 44 THR N N 15 118.28 0.25 . 1 . . . . . . . . 4401 1 436 . 1 1 45 45 VAL H H 1 7.39 0.03 . 1 . . . . . . . . 4401 1 437 . 1 1 45 45 VAL HA H 1 3.58 0.03 . 1 . . . . . . . . 4401 1 438 . 1 1 45 45 VAL HB H 1 1.94 0.03 . 1 . . . . . . . . 4401 1 439 . 1 1 45 45 VAL HG11 H 1 0.64 0.03 . 1 . . . . . . . . 4401 1 440 . 1 1 45 45 VAL HG12 H 1 0.64 0.03 . 1 . . . . . . . . 4401 1 441 . 1 1 45 45 VAL HG13 H 1 0.64 0.03 . 1 . . . . . . . . 4401 1 442 . 1 1 45 45 VAL HG21 H 1 0.34 0.03 . 1 . . . . . . . . 4401 1 443 . 1 1 45 45 VAL HG22 H 1 0.34 0.03 . 1 . . . . . . . . 4401 1 444 . 1 1 45 45 VAL HG23 H 1 0.34 0.03 . 1 . . . . . . . . 4401 1 445 . 1 1 45 45 VAL C C 13 177.58 0.50 . 1 . . . . . . . . 4401 1 446 . 1 1 45 45 VAL CA C 13 66.62 0.50 . 1 . . . . . . . . 4401 1 447 . 1 1 45 45 VAL CB C 13 31.55 0.50 . 1 . . . . . . . . 4401 1 448 . 1 1 45 45 VAL CG1 C 13 22.87 0.50 . 1 . . . . . . . . 4401 1 449 . 1 1 45 45 VAL CG2 C 13 21.27 0.50 . 1 . . . . . . . . 4401 1 450 . 1 1 45 45 VAL N N 15 121.28 0.25 . 1 . . . . . . . . 4401 1 451 . 1 1 46 46 MET H H 1 8.35 0.03 . 1 . . . . . . . . 4401 1 452 . 1 1 46 46 MET HA H 1 4.00 0.03 . 1 . . . . . . . . 4401 1 453 . 1 1 46 46 MET HG2 H 1 2.63 0.03 . 1 . . . . . . . . 4401 1 454 . 1 1 46 46 MET HG3 H 1 2.51 0.03 . 1 . . . . . . . . 4401 1 455 . 1 1 46 46 MET HE1 H 1 1.92 0.03 . 1 . . . . . . . . 4401 1 456 . 1 1 46 46 MET HE2 H 1 1.92 0.03 . 1 . . . . . . . . 4401 1 457 . 1 1 46 46 MET HE3 H 1 1.92 0.03 . 1 . . . . . . . . 4401 1 458 . 1 1 46 46 MET C C 13 178.89 0.50 . 1 . . . . . . . . 4401 1 459 . 1 1 46 46 MET CA C 13 59.52 0.50 . 1 . . . . . . . . 4401 1 460 . 1 1 46 46 MET CG C 13 33.46 0.50 . 1 . . . . . . . . 4401 1 461 . 1 1 46 46 MET CE C 13 17.51 0.50 . 1 . . . . . . . . 4401 1 462 . 1 1 46 46 MET N N 15 117.01 0.25 . 1 . . . . . . . . 4401 1 463 . 1 1 47 47 ARG H H 1 8.18 0.03 . 1 . . . . . . . . 4401 1 464 . 1 1 47 47 ARG HA H 1 4.72 0.03 . 1 . . . . . . . . 4401 1 465 . 1 1 47 47 ARG HB2 H 1 2.00 0.03 . 1 . . . . . . . . 4401 1 466 . 1 1 47 47 ARG HB3 H 1 1.95 0.03 . 1 . . . . . . . . 4401 1 467 . 1 1 47 47 ARG HG2 H 1 1.93 0.03 . 1 . . . . . . . . 4401 1 468 . 1 1 47 47 ARG HG3 H 1 1.81 0.03 . 1 . . . . . . . . 4401 1 469 . 1 1 47 47 ARG HD2 H 1 3.23 0.03 . 1 . . . . . . . . 4401 1 470 . 1 1 47 47 ARG HD3 H 1 3.23 0.03 . 1 . . . . . . . . 4401 1 471 . 1 1 47 47 ARG C C 13 181.20 0.50 . 1 . . . . . . . . 4401 1 472 . 1 1 47 47 ARG CA C 13 59.18 0.50 . 1 . . . . . . . . 4401 1 473 . 1 1 47 47 ARG CB C 13 30.00 0.50 . 1 . . . . . . . . 4401 1 474 . 1 1 47 47 ARG CG C 13 28.86 0.50 . 1 . . . . . . . . 4401 1 475 . 1 1 47 47 ARG CD C 13 43.56 0.50 . 1 . . . . . . . . 4401 1 476 . 1 1 47 47 ARG N N 15 118.43 0.25 . 1 . . . . . . . . 4401 1 477 . 1 1 48 48 MET H H 1 7.87 0.03 . 1 . . . . . . . . 4401 1 478 . 1 1 48 48 MET HA H 1 4.25 0.03 . 1 . . . . . . . . 4401 1 479 . 1 1 48 48 MET HB2 H 1 2.37 0.03 . 1 . . . . . . . . 4401 1 480 . 1 1 48 48 MET HB3 H 1 2.30 0.03 . 1 . . . . . . . . 4401 1 481 . 1 1 48 48 MET HG2 H 1 2.76 0.03 . 1 . . . . . . . . 4401 1 482 . 1 1 48 48 MET HG3 H 1 2.62 0.03 . 1 . . . . . . . . 4401 1 483 . 1 1 48 48 MET HE1 H 1 2.25 0.03 . 1 . . . . . . . . 4401 1 484 . 1 1 48 48 MET HE2 H 1 2.25 0.03 . 1 . . . . . . . . 4401 1 485 . 1 1 48 48 MET HE3 H 1 2.25 0.03 . 1 . . . . . . . . 4401 1 486 . 1 1 48 48 MET C C 13 178.64 0.50 . 1 . . . . . . . . 4401 1 487 . 1 1 48 48 MET CA C 13 58.98 0.50 . 1 . . . . . . . . 4401 1 488 . 1 1 48 48 MET CB C 13 32.51 0.50 . 1 . . . . . . . . 4401 1 489 . 1 1 48 48 MET CE C 13 17.37 0.50 . 1 . . . . . . . . 4401 1 490 . 1 1 48 48 MET N N 15 122.97 0.25 . 1 . . . . . . . . 4401 1 491 . 1 1 49 49 LEU H H 1 7.66 0.03 . 1 . . . . . . . . 4401 1 492 . 1 1 49 49 LEU HA H 1 4.39 0.03 . 1 . . . . . . . . 4401 1 493 . 1 1 49 49 LEU HB2 H 1 1.89 0.03 . 1 . . . . . . . . 4401 1 494 . 1 1 49 49 LEU HB3 H 1 1.89 0.03 . 1 . . . . . . . . 4401 1 495 . 1 1 49 49 LEU HG H 1 1.68 0.03 . 1 . . . . . . . . 4401 1 496 . 1 1 49 49 LEU HD11 H 1 0.81 0.03 . 1 . . . . . . . . 4401 1 497 . 1 1 49 49 LEU HD12 H 1 0.81 0.03 . 1 . . . . . . . . 4401 1 498 . 1 1 49 49 LEU HD13 H 1 0.81 0.03 . 1 . . . . . . . . 4401 1 499 . 1 1 49 49 LEU HD21 H 1 0.82 0.03 . 1 . . . . . . . . 4401 1 500 . 1 1 49 49 LEU HD22 H 1 0.82 0.03 . 1 . . . . . . . . 4401 1 501 . 1 1 49 49 LEU HD23 H 1 0.82 0.03 . 1 . . . . . . . . 4401 1 502 . 1 1 49 49 LEU C C 13 177.30 0.50 . 1 . . . . . . . . 4401 1 503 . 1 1 49 49 LEU CA C 13 54.78 0.50 . 1 . . . . . . . . 4401 1 504 . 1 1 49 49 LEU CB C 13 41.76 0.50 . 1 . . . . . . . . 4401 1 505 . 1 1 49 49 LEU CG C 13 20.74 0.50 . 1 . . . . . . . . 4401 1 506 . 1 1 49 49 LEU CD1 C 13 22.87 0.50 . 1 . . . . . . . . 4401 1 507 . 1 1 49 49 LEU CD2 C 13 26.17 0.50 . 1 . . . . . . . . 4401 1 508 . 1 1 49 49 LEU N N 15 117.86 0.25 . 1 . . . . . . . . 4401 1 509 . 1 1 50 50 GLY H H 1 7.84 0.03 . 1 . . . . . . . . 4401 1 510 . 1 1 50 50 GLY HA2 H 1 4.25 0.03 . 1 . . . . . . . . 4401 1 511 . 1 1 50 50 GLY HA3 H 1 3.81 0.03 . 1 . . . . . . . . 4401 1 512 . 1 1 50 50 GLY C C 13 174.52 0.50 . 1 . . . . . . . . 4401 1 513 . 1 1 50 50 GLY CA C 13 45.79 0.50 . 1 . . . . . . . . 4401 1 514 . 1 1 50 50 GLY N N 15 106.79 0.25 . 1 . . . . . . . . 4401 1 515 . 1 1 51 51 GLN H H 1 8.10 0.03 . 1 . . . . . . . . 4401 1 516 . 1 1 51 51 GLN HA H 1 4.51 0.03 . 1 . . . . . . . . 4401 1 517 . 1 1 51 51 GLN HB2 H 1 2.16 0.03 . 1 . . . . . . . . 4401 1 518 . 1 1 51 51 GLN HB3 H 1 1.66 0.03 . 1 . . . . . . . . 4401 1 519 . 1 1 51 51 GLN HG2 H 1 2.20 0.03 . 1 . . . . . . . . 4401 1 520 . 1 1 51 51 GLN C C 13 174.22 0.50 . 1 . . . . . . . . 4401 1 521 . 1 1 51 51 GLN CA C 13 54.16 0.50 . 1 . . . . . . . . 4401 1 522 . 1 1 51 51 GLN CB C 13 30.96 0.50 . 1 . . . . . . . . 4401 1 523 . 1 1 51 51 GLN CG C 13 33.95 0.50 . 1 . . . . . . . . 4401 1 524 . 1 1 51 51 GLN N N 15 118.43 0.25 . 1 . . . . . . . . 4401 1 525 . 1 1 52 52 ASN H H 1 8.68 0.03 . 1 . . . . . . . . 4401 1 526 . 1 1 52 52 ASN HA H 1 5.16 0.03 . 1 . . . . . . . . 4401 1 527 . 1 1 52 52 ASN HB2 H 1 2.81 0.03 . 1 . . . . . . . . 4401 1 528 . 1 1 52 52 ASN HB3 H 1 2.56 0.03 . 1 . . . . . . . . 4401 1 529 . 1 1 52 52 ASN HD21 H 1 7.54 0.03 . 1 . . . . . . . . 4401 1 530 . 1 1 52 52 ASN HD22 H 1 6.76 0.03 . 1 . . . . . . . . 4401 1 531 . 1 1 52 52 ASN C C 13 172.16 0.50 . 1 . . . . . . . . 4401 1 532 . 1 1 52 52 ASN CA C 13 51.29 0.50 . 1 . . . . . . . . 4401 1 533 . 1 1 52 52 ASN CB C 13 39.19 0.50 . 1 . . . . . . . . 4401 1 534 . 1 1 52 52 ASN N N 15 116.58 0.25 . 1 . . . . . . . . 4401 1 535 . 1 1 52 52 ASN ND2 N 15 111.92 0.25 . 1 . . . . . . . . 4401 1 536 . 1 1 53 53 PRO HA H 1 4.79 0.03 . 1 . . . . . . . . 4401 1 537 . 1 1 53 53 PRO HB2 H 1 2.19 0.03 . 1 . . . . . . . . 4401 1 538 . 1 1 53 53 PRO HB3 H 1 1.96 0.03 . 1 . . . . . . . . 4401 1 539 . 1 1 53 53 PRO HG2 H 1 1.97 0.03 . 1 . . . . . . . . 4401 1 540 . 1 1 53 53 PRO HG3 H 1 1.97 0.03 . 1 . . . . . . . . 4401 1 541 . 1 1 53 53 PRO HD2 H 1 3.65 0.03 . 1 . . . . . . . . 4401 1 542 . 1 1 53 53 PRO HD3 H 1 3.28 0.03 . 1 . . . . . . . . 4401 1 543 . 1 1 53 53 PRO C C 13 177.81 0.50 . 1 . . . . . . . . 4401 1 544 . 1 1 53 53 PRO CA C 13 62.56 0.50 . 1 . . . . . . . . 4401 1 545 . 1 1 53 53 PRO CB C 13 32.35 0.50 . 1 . . . . . . . . 4401 1 546 . 1 1 53 53 PRO CD C 13 50.11 0.50 . 1 . . . . . . . . 4401 1 547 . 1 1 54 54 THR H H 1 8.67 0.03 . 1 . . . . . . . . 4401 1 548 . 1 1 54 54 THR HA H 1 4.46 0.03 . 1 . . . . . . . . 4401 1 549 . 1 1 54 54 THR HB H 1 4.75 0.03 . 1 . . . . . . . . 4401 1 550 . 1 1 54 54 THR HG21 H 1 1.38 0.03 . 1 . . . . . . . . 4401 1 551 . 1 1 54 54 THR HG22 H 1 1.38 0.03 . 1 . . . . . . . . 4401 1 552 . 1 1 54 54 THR HG23 H 1 1.38 0.03 . 1 . . . . . . . . 4401 1 553 . 1 1 54 54 THR C C 13 175.28 0.50 . 1 . . . . . . . . 4401 1 554 . 1 1 54 54 THR CA C 13 60.58 0.50 . 1 . . . . . . . . 4401 1 555 . 1 1 54 54 THR CB C 13 71.68 0.50 . 1 . . . . . . . . 4401 1 556 . 1 1 54 54 THR CG2 C 13 22.22 0.50 . 1 . . . . . . . . 4401 1 557 . 1 1 54 54 THR N N 15 112.84 0.25 . 1 . . . . . . . . 4401 1 558 . 1 1 55 55 LYS H H 1 8.82 0.03 . 1 . . . . . . . . 4401 1 559 . 1 1 55 55 LYS HA H 1 3.90 0.03 . 1 . . . . . . . . 4401 1 560 . 1 1 55 55 LYS HB2 H 1 2.00 0.03 . 1 . . . . . . . . 4401 1 561 . 1 1 55 55 LYS HB3 H 1 1.79 0.03 . 1 . . . . . . . . 4401 1 562 . 1 1 55 55 LYS HG2 H 1 1.50 0.03 . 1 . . . . . . . . 4401 1 563 . 1 1 55 55 LYS HG3 H 1 1.50 0.03 . 1 . . . . . . . . 4401 1 564 . 1 1 55 55 LYS HD2 H 1 1.73 0.03 . 1 . . . . . . . . 4401 1 565 . 1 1 55 55 LYS HD3 H 1 1.66 0.03 . 1 . . . . . . . . 4401 1 566 . 1 1 55 55 LYS HE2 H 1 3.06 0.03 . 1 . . . . . . . . 4401 1 567 . 1 1 55 55 LYS HE3 H 1 3.06 0.03 . 1 . . . . . . . . 4401 1 568 . 1 1 55 55 LYS C C 13 178.34 0.50 . 1 . . . . . . . . 4401 1 569 . 1 1 55 55 LYS CA C 13 60.36 0.50 . 1 . . . . . . . . 4401 1 570 . 1 1 55 55 LYS CB C 13 32.50 0.50 . 1 . . . . . . . . 4401 1 571 . 1 1 55 55 LYS CG C 13 25.02 0.50 . 1 . . . . . . . . 4401 1 572 . 1 1 55 55 LYS CD C 13 29.20 0.50 . 1 . . . . . . . . 4401 1 573 . 1 1 55 55 LYS CE C 13 42.53 0.50 . 1 . . . . . . . . 4401 1 574 . 1 1 55 55 LYS N N 15 121.88 0.25 . 1 . . . . . . . . 4401 1 575 . 1 1 56 56 GLU H H 1 8.77 0.03 . 1 . . . . . . . . 4401 1 576 . 1 1 56 56 GLU HA H 1 4.11 0.03 . 1 . . . . . . . . 4401 1 577 . 1 1 56 56 GLU HB2 H 1 2.09 0.03 . 1 . . . . . . . . 4401 1 578 . 1 1 56 56 GLU HB3 H 1 1.96 0.03 . 1 . . . . . . . . 4401 1 579 . 1 1 56 56 GLU HG2 H 1 2.51 0.03 . 1 . . . . . . . . 4401 1 580 . 1 1 56 56 GLU HG3 H 1 2.33 0.03 . 1 . . . . . . . . 4401 1 581 . 1 1 56 56 GLU C C 13 180.09 0.50 . 1 . . . . . . . . 4401 1 582 . 1 1 56 56 GLU CA C 13 60.60 0.50 . 1 . . . . . . . . 4401 1 583 . 1 1 56 56 GLU CB C 13 28.95 0.50 . 1 . . . . . . . . 4401 1 584 . 1 1 56 56 GLU CG C 13 37.46 0.50 . 1 . . . . . . . . 4401 1 585 . 1 1 56 56 GLU N N 15 116.97 0.25 . 1 . . . . . . . . 4401 1 586 . 1 1 57 57 GLU H H 1 7.75 0.03 . 1 . . . . . . . . 4401 1 587 . 1 1 57 57 GLU HA H 1 3.99 0.03 . 1 . . . . . . . . 4401 1 588 . 1 1 57 57 GLU HG2 H 1 2.36 0.03 . 1 . . . . . . . . 4401 1 589 . 1 1 57 57 GLU HG3 H 1 2.36 0.03 . 1 . . . . . . . . 4401 1 590 . 1 1 57 57 GLU C C 13 179.39 0.50 . 1 . . . . . . . . 4401 1 591 . 1 1 57 57 GLU CA C 13 59.36 0.50 . 1 . . . . . . . . 4401 1 592 . 1 1 57 57 GLU N N 15 121.09 0.25 . 1 . . . . . . . . 4401 1 593 . 1 1 58 58 LEU H H 1 8.06 0.03 . 1 . . . . . . . . 4401 1 594 . 1 1 58 58 LEU HA H 1 4.00 0.03 . 1 . . . . . . . . 4401 1 595 . 1 1 58 58 LEU HB2 H 1 2.13 0.03 . 1 . . . . . . . . 4401 1 596 . 1 1 58 58 LEU HB3 H 1 2.13 0.03 . 1 . . . . . . . . 4401 1 597 . 1 1 58 58 LEU HG H 1 1.80 0.03 . 1 . . . . . . . . 4401 1 598 . 1 1 58 58 LEU HD11 H 1 0.79 0.03 . 1 . . . . . . . . 4401 1 599 . 1 1 58 58 LEU HD12 H 1 0.79 0.03 . 1 . . . . . . . . 4401 1 600 . 1 1 58 58 LEU HD13 H 1 0.79 0.03 . 1 . . . . . . . . 4401 1 601 . 1 1 58 58 LEU HD21 H 1 0.88 0.03 . 1 . . . . . . . . 4401 1 602 . 1 1 58 58 LEU HD22 H 1 0.88 0.03 . 1 . . . . . . . . 4401 1 603 . 1 1 58 58 LEU HD23 H 1 0.88 0.03 . 1 . . . . . . . . 4401 1 604 . 1 1 58 58 LEU C C 13 178.56 0.50 . 1 . . . . . . . . 4401 1 605 . 1 1 58 58 LEU CA C 13 58.28 0.50 . 1 . . . . . . . . 4401 1 606 . 1 1 58 58 LEU CB C 13 42.35 0.50 . 1 . . . . . . . . 4401 1 607 . 1 1 58 58 LEU CG C 13 26.94 0.50 . 1 . . . . . . . . 4401 1 608 . 1 1 58 58 LEU CD1 C 13 23.79 0.50 . 1 . . . . . . . . 4401 1 609 . 1 1 58 58 LEU CD2 C 13 25.85 0.50 . 1 . . . . . . . . 4401 1 610 . 1 1 58 58 LEU N N 15 119.69 0.25 . 1 . . . . . . . . 4401 1 611 . 1 1 59 59 ASP H H 1 8.36 0.03 . 1 . . . . . . . . 4401 1 612 . 1 1 59 59 ASP HA H 1 4.32 0.03 . 1 . . . . . . . . 4401 1 613 . 1 1 59 59 ASP HB2 H 1 2.72 0.03 . 1 . . . . . . . . 4401 1 614 . 1 1 59 59 ASP HB3 H 1 2.65 0.03 . 1 . . . . . . . . 4401 1 615 . 1 1 59 59 ASP C C 13 179.00 0.50 . 1 . . . . . . . . 4401 1 616 . 1 1 59 59 ASP CA C 13 57.47 0.50 . 1 . . . . . . . . 4401 1 617 . 1 1 59 59 ASP CB C 13 40.00 0.50 . 1 . . . . . . . . 4401 1 618 . 1 1 59 59 ASP N N 15 118.18 0.25 . 1 . . . . . . . . 4401 1 619 . 1 1 60 60 ALA H H 1 7.68 0.03 . 1 . . . . . . . . 4401 1 620 . 1 1 60 60 ALA HA H 1 4.17 0.03 . 1 . . . . . . . . 4401 1 621 . 1 1 60 60 ALA HB1 H 1 1.51 0.03 . 1 . . . . . . . . 4401 1 622 . 1 1 60 60 ALA HB2 H 1 1.51 0.03 . 1 . . . . . . . . 4401 1 623 . 1 1 60 60 ALA HB3 H 1 1.51 0.03 . 1 . . . . . . . . 4401 1 624 . 1 1 60 60 ALA C C 13 180.27 0.50 . 1 . . . . . . . . 4401 1 625 . 1 1 60 60 ALA CA C 13 55.07 0.50 . 1 . . . . . . . . 4401 1 626 . 1 1 60 60 ALA CB C 13 18.42 0.50 . 1 . . . . . . . . 4401 1 627 . 1 1 60 60 ALA N N 15 121.97 0.25 . 1 . . . . . . . . 4401 1 628 . 1 1 61 61 ILE H H 1 7.88 0.03 . 1 . . . . . . . . 4401 1 629 . 1 1 61 61 ILE HA H 1 3.67 0.03 . 1 . . . . . . . . 4401 1 630 . 1 1 61 61 ILE HB H 1 1.95 0.03 . 1 . . . . . . . . 4401 1 631 . 1 1 61 61 ILE HG12 H 1 1.74 0.03 . 1 . . . . . . . . 4401 1 632 . 1 1 61 61 ILE HD11 H 1 0.81 0.03 . 1 . . . . . . . . 4401 1 633 . 1 1 61 61 ILE HD12 H 1 0.81 0.03 . 1 . . . . . . . . 4401 1 634 . 1 1 61 61 ILE HD13 H 1 0.81 0.03 . 1 . . . . . . . . 4401 1 635 . 1 1 61 61 ILE HG21 H 1 0.82 0.03 . 1 . . . . . . . . 4401 1 636 . 1 1 61 61 ILE HG22 H 1 0.82 0.03 . 1 . . . . . . . . 4401 1 637 . 1 1 61 61 ILE HG23 H 1 0.82 0.03 . 1 . . . . . . . . 4401 1 638 . 1 1 61 61 ILE C C 13 178.29 0.50 . 1 . . . . . . . . 4401 1 639 . 1 1 61 61 ILE CA C 13 65.41 0.50 . 1 . . . . . . . . 4401 1 640 . 1 1 61 61 ILE CB C 13 38.17 0.50 . 1 . . . . . . . . 4401 1 641 . 1 1 61 61 ILE CD1 C 13 14.03 0.50 . 1 . . . . . . . . 4401 1 642 . 1 1 61 61 ILE CG2 C 13 17.56 0.50 . 1 . . . . . . . . 4401 1 643 . 1 1 61 61 ILE N N 15 120.15 0.25 . 1 . . . . . . . . 4401 1 644 . 1 1 62 62 ILE H H 1 7.53 0.03 . 1 . . . . . . . . 4401 1 645 . 1 1 62 62 ILE HA H 1 3.42 0.03 . 1 . . . . . . . . 4401 1 646 . 1 1 62 62 ILE HB H 1 1.98 0.03 . 1 . . . . . . . . 4401 1 647 . 1 1 62 62 ILE HG12 H 1 1.74 0.03 . 1 . . . . . . . . 4401 1 648 . 1 1 62 62 ILE HG13 H 1 0.98 0.03 . 1 . . . . . . . . 4401 1 649 . 1 1 62 62 ILE HD11 H 1 0.77 0.03 . 1 . . . . . . . . 4401 1 650 . 1 1 62 62 ILE HD12 H 1 0.77 0.03 . 1 . . . . . . . . 4401 1 651 . 1 1 62 62 ILE HD13 H 1 0.77 0.03 . 1 . . . . . . . . 4401 1 652 . 1 1 62 62 ILE HG21 H 1 0.69 0.03 . 1 . . . . . . . . 4401 1 653 . 1 1 62 62 ILE HG22 H 1 0.69 0.03 . 1 . . . . . . . . 4401 1 654 . 1 1 62 62 ILE HG23 H 1 0.69 0.03 . 1 . . . . . . . . 4401 1 655 . 1 1 62 62 ILE C C 13 177.76 0.50 . 1 . . . . . . . . 4401 1 656 . 1 1 62 62 ILE CA C 13 65.39 0.50 . 1 . . . . . . . . 4401 1 657 . 1 1 62 62 ILE CB C 13 37.54 0.50 . 1 . . . . . . . . 4401 1 658 . 1 1 62 62 ILE CG1 C 13 29.29 0.50 . 1 . . . . . . . . 4401 1 659 . 1 1 62 62 ILE CD1 C 13 12.88 0.50 . 1 . . . . . . . . 4401 1 660 . 1 1 62 62 ILE CG2 C 13 16.44 0.50 . 1 . . . . . . . . 4401 1 661 . 1 1 62 62 ILE N N 15 117.54 0.25 . 1 . . . . . . . . 4401 1 662 . 1 1 63 63 GLU H H 1 8.32 0.03 . 1 . . . . . . . . 4401 1 663 . 1 1 63 63 GLU HA H 1 4.00 0.03 . 1 . . . . . . . . 4401 1 664 . 1 1 63 63 GLU HB2 H 1 2.17 0.03 . 1 . . . . . . . . 4401 1 665 . 1 1 63 63 GLU HB3 H 1 2.08 0.03 . 1 . . . . . . . . 4401 1 666 . 1 1 63 63 GLU HG2 H 1 2.41 0.03 . 1 . . . . . . . . 4401 1 667 . 1 1 63 63 GLU HG3 H 1 2.31 0.03 . 1 . . . . . . . . 4401 1 668 . 1 1 63 63 GLU C C 13 178.29 0.50 . 1 . . . . . . . . 4401 1 669 . 1 1 63 63 GLU CA C 13 59.39 0.50 . 1 . . . . . . . . 4401 1 670 . 1 1 63 63 GLU CB C 13 29.93 0.50 . 1 . . . . . . . . 4401 1 671 . 1 1 63 63 GLU N N 15 117.85 0.25 . 1 . . . . . . . . 4401 1 672 . 1 1 64 64 GLU H H 1 7.41 0.03 . 1 . . . . . . . . 4401 1 673 . 1 1 64 64 GLU HA H 1 4.02 0.03 . 1 . . . . . . . . 4401 1 674 . 1 1 64 64 GLU HB2 H 1 2.18 0.03 . 1 . . . . . . . . 4401 1 675 . 1 1 64 64 GLU HB3 H 1 2.02 0.03 . 1 . . . . . . . . 4401 1 676 . 1 1 64 64 GLU HG2 H 1 2.53 0.03 . 1 . . . . . . . . 4401 1 677 . 1 1 64 64 GLU HG3 H 1 2.30 0.03 . 1 . . . . . . . . 4401 1 678 . 1 1 64 64 GLU C C 13 178.11 0.50 . 1 . . . . . . . . 4401 1 679 . 1 1 64 64 GLU CA C 13 58.99 0.50 . 1 . . . . . . . . 4401 1 680 . 1 1 64 64 GLU N N 15 115.00 0.25 . 1 . . . . . . . . 4401 1 681 . 1 1 65 65 VAL H H 1 7.26 0.03 . 1 . . . . . . . . 4401 1 682 . 1 1 65 65 VAL HA H 1 4.60 0.03 . 1 . . . . . . . . 4401 1 683 . 1 1 65 65 VAL HB H 1 2.48 0.03 . 1 . . . . . . . . 4401 1 684 . 1 1 65 65 VAL HG11 H 1 0.89 0.03 . 1 . . . . . . . . 4401 1 685 . 1 1 65 65 VAL HG12 H 1 0.89 0.03 . 1 . . . . . . . . 4401 1 686 . 1 1 65 65 VAL HG13 H 1 0.89 0.03 . 1 . . . . . . . . 4401 1 687 . 1 1 65 65 VAL HG21 H 1 0.85 0.03 . 1 . . . . . . . . 4401 1 688 . 1 1 65 65 VAL HG22 H 1 0.85 0.03 . 1 . . . . . . . . 4401 1 689 . 1 1 65 65 VAL HG23 H 1 0.85 0.03 . 1 . . . . . . . . 4401 1 690 . 1 1 65 65 VAL C C 13 175.85 0.50 . 1 . . . . . . . . 4401 1 691 . 1 1 65 65 VAL CA C 13 61.06 0.50 . 1 . . . . . . . . 4401 1 692 . 1 1 65 65 VAL CB C 13 33.17 0.50 . 1 . . . . . . . . 4401 1 693 . 1 1 65 65 VAL CG1 C 13 19.17 0.50 . 1 . . . . . . . . 4401 1 694 . 1 1 65 65 VAL CG2 C 13 21.96 0.50 . 1 . . . . . . . . 4401 1 695 . 1 1 65 65 VAL N N 15 106.89 0.25 . 1 . . . . . . . . 4401 1 696 . 1 1 66 66 ASP H H 1 7.72 0.03 . 1 . . . . . . . . 4401 1 697 . 1 1 66 66 ASP HA H 1 4.71 0.03 . 1 . . . . . . . . 4401 1 698 . 1 1 66 66 ASP HB2 H 1 2.77 0.03 . 1 . . . . . . . . 4401 1 699 . 1 1 66 66 ASP HB3 H 1 2.64 0.03 . 1 . . . . . . . . 4401 1 700 . 1 1 66 66 ASP C C 13 177.31 0.50 . 1 . . . . . . . . 4401 1 701 . 1 1 66 66 ASP CA C 13 53.76 0.50 . 1 . . . . . . . . 4401 1 702 . 1 1 66 66 ASP CB C 13 40.94 0.50 . 1 . . . . . . . . 4401 1 703 . 1 1 66 66 ASP N N 15 121.69 0.25 . 1 . . . . . . . . 4401 1 704 . 1 1 67 67 GLU H H 1 8.53 0.03 . 1 . . . . . . . . 4401 1 705 . 1 1 67 67 GLU HA H 1 4.23 0.03 . 1 . . . . . . . . 4401 1 706 . 1 1 67 67 GLU HB2 H 1 2.24 0.03 . 1 . . . . . . . . 4401 1 707 . 1 1 67 67 GLU HB3 H 1 2.04 0.03 . 1 . . . . . . . . 4401 1 708 . 1 1 67 67 GLU HG2 H 1 2.37 0.03 . 1 . . . . . . . . 4401 1 709 . 1 1 67 67 GLU HG3 H 1 2.27 0.03 . 1 . . . . . . . . 4401 1 710 . 1 1 67 67 GLU C C 13 176.96 0.50 . 1 . . . . . . . . 4401 1 711 . 1 1 67 67 GLU CA C 13 59.36 0.50 . 1 . . . . . . . . 4401 1 712 . 1 1 67 67 GLU CB C 13 31.77 0.50 . 1 . . . . . . . . 4401 1 713 . 1 1 67 67 GLU N N 15 127.34 0.25 . 1 . . . . . . . . 4401 1 714 . 1 1 68 68 ASP H H 1 8.00 0.03 . 1 . . . . . . . . 4401 1 715 . 1 1 68 68 ASP HA H 1 4.76 0.03 . 1 . . . . . . . . 4401 1 716 . 1 1 68 68 ASP HB2 H 1 3.13 0.03 . 1 . . . . . . . . 4401 1 717 . 1 1 68 68 ASP HB3 H 1 2.77 0.03 . 1 . . . . . . . . 4401 1 718 . 1 1 68 68 ASP C C 13 177.69 0.50 . 1 . . . . . . . . 4401 1 719 . 1 1 68 68 ASP CA C 13 52.55 0.50 . 1 . . . . . . . . 4401 1 720 . 1 1 68 68 ASP CB C 13 40.37 0.50 . 1 . . . . . . . . 4401 1 721 . 1 1 68 68 ASP N N 15 114.64 0.25 . 1 . . . . . . . . 4401 1 722 . 1 1 69 69 GLY H H 1 7.74 0.03 . 1 . . . . . . . . 4401 1 723 . 1 1 69 69 GLY HA2 H 1 3.82 0.03 . 1 . . . . . . . . 4401 1 724 . 1 1 69 69 GLY HA3 H 1 3.89 0.03 . 1 . . . . . . . . 4401 1 725 . 1 1 69 69 GLY C C 13 175.34 0.50 . 1 . . . . . . . . 4401 1 726 . 1 1 69 69 GLY CA C 13 47.27 0.50 . 1 . . . . . . . . 4401 1 727 . 1 1 69 69 GLY N N 15 108.84 0.25 . 1 . . . . . . . . 4401 1 728 . 1 1 70 70 SER H H 1 8.55 0.03 . 1 . . . . . . . . 4401 1 729 . 1 1 70 70 SER HA H 1 4.23 0.03 . 1 . . . . . . . . 4401 1 730 . 1 1 70 70 SER HB2 H 1 4.23 0.03 . 1 . . . . . . . . 4401 1 731 . 1 1 70 70 SER HB3 H 1 3.98 0.03 . 1 . . . . . . . . 4401 1 732 . 1 1 70 70 SER C C 13 176.25 0.50 . 1 . . . . . . . . 4401 1 733 . 1 1 70 70 SER CA C 13 60.25 0.50 . 1 . . . . . . . . 4401 1 734 . 1 1 70 70 SER CB C 13 65.02 0.50 . 1 . . . . . . . . 4401 1 735 . 1 1 70 70 SER N N 15 116.83 0.25 . 1 . . . . . . . . 4401 1 736 . 1 1 71 71 GLY H H 1 10.99 0.03 . 1 . . . . . . . . 4401 1 737 . 1 1 71 71 GLY HA2 H 1 3.45 0.03 . 1 . . . . . . . . 4401 1 738 . 1 1 71 71 GLY HA3 H 1 4.14 0.03 . 1 . . . . . . . . 4401 1 739 . 1 1 71 71 GLY C C 13 172.80 0.50 . 1 . . . . . . . . 4401 1 740 . 1 1 71 71 GLY CA C 13 45.81 0.50 . 1 . . . . . . . . 4401 1 741 . 1 1 71 71 GLY N N 15 116.67 0.25 . 1 . . . . . . . . 4401 1 742 . 1 1 72 72 THR H H 1 7.68 0.03 . 1 . . . . . . . . 4401 1 743 . 1 1 72 72 THR HA H 1 4.91 0.03 . 1 . . . . . . . . 4401 1 744 . 1 1 72 72 THR HB H 1 3.68 0.03 . 1 . . . . . . . . 4401 1 745 . 1 1 72 72 THR HG21 H 1 1.04 0.03 . 1 . . . . . . . . 4401 1 746 . 1 1 72 72 THR HG22 H 1 1.04 0.03 . 1 . . . . . . . . 4401 1 747 . 1 1 72 72 THR HG23 H 1 1.04 0.03 . 1 . . . . . . . . 4401 1 748 . 1 1 72 72 THR C C 13 173.62 0.50 . 1 . . . . . . . . 4401 1 749 . 1 1 72 72 THR CA C 13 58.29 0.50 . 1 . . . . . . . . 4401 1 750 . 1 1 72 72 THR CB C 13 73.82 0.50 . 1 . . . . . . . . 4401 1 751 . 1 1 72 72 THR CG2 C 13 22.31 0.50 . 1 . . . . . . . . 4401 1 752 . 1 1 72 72 THR N N 15 107.55 0.25 . 1 . . . . . . . . 4401 1 753 . 1 1 73 73 ILE H H 1 9.13 0.03 . 1 . . . . . . . . 4401 1 754 . 1 1 73 73 ILE HA H 1 5.09 0.03 . 1 . . . . . . . . 4401 1 755 . 1 1 73 73 ILE HB H 1 1.99 0.03 . 1 . . . . . . . . 4401 1 756 . 1 1 73 73 ILE HG12 H 1 1.62 0.03 . 1 . . . . . . . . 4401 1 757 . 1 1 73 73 ILE HG13 H 1 0.85 0.03 . 1 . . . . . . . . 4401 1 758 . 1 1 73 73 ILE HD11 H 1 0.85 0.03 . 1 . . . . . . . . 4401 1 759 . 1 1 73 73 ILE HD12 H 1 0.85 0.03 . 1 . . . . . . . . 4401 1 760 . 1 1 73 73 ILE HD13 H 1 0.85 0.03 . 1 . . . . . . . . 4401 1 761 . 1 1 73 73 ILE HG21 H 1 1.28 0.03 . 1 . . . . . . . . 4401 1 762 . 1 1 73 73 ILE HG22 H 1 1.28 0.03 . 1 . . . . . . . . 4401 1 763 . 1 1 73 73 ILE HG23 H 1 1.28 0.03 . 1 . . . . . . . . 4401 1 764 . 1 1 73 73 ILE C C 13 176.31 0.50 . 1 . . . . . . . . 4401 1 765 . 1 1 73 73 ILE CA C 13 60.56 0.50 . 1 . . . . . . . . 4401 1 766 . 1 1 73 73 ILE CB C 13 40.72 0.50 . 1 . . . . . . . . 4401 1 767 . 1 1 73 73 ILE CG1 C 13 27.56 0.50 . 1 . . . . . . . . 4401 1 768 . 1 1 73 73 ILE CD1 C 13 13.32 0.50 . 1 . . . . . . . . 4401 1 769 . 1 1 73 73 ILE CG2 C 13 18.17 0.50 . 1 . . . . . . . . 4401 1 770 . 1 1 73 73 ILE N N 15 124.81 0.25 . 1 . . . . . . . . 4401 1 771 . 1 1 74 74 ASP H H 1 9.52 0.03 . 1 . . . . . . . . 4401 1 772 . 1 1 74 74 ASP HA H 1 5.28 0.03 . 1 . . . . . . . . 4401 1 773 . 1 1 74 74 ASP HB2 H 1 3.41 0.03 . 1 . . . . . . . . 4401 1 774 . 1 1 74 74 ASP HB3 H 1 2.76 0.03 . 1 . . . . . . . . 4401 1 775 . 1 1 74 74 ASP C C 13 175.84 0.50 . 1 . . . . . . . . 4401 1 776 . 1 1 74 74 ASP CA C 13 53.30 0.50 . 1 . . . . . . . . 4401 1 777 . 1 1 74 74 ASP CB C 13 41.34 0.50 . 1 . . . . . . . . 4401 1 778 . 1 1 74 74 ASP N N 15 130.64 0.25 . 1 . . . . . . . . 4401 1 779 . 1 1 75 75 PHE H H 1 8.79 0.03 . 1 . . . . . . . . 4401 1 780 . 1 1 75 75 PHE HA H 1 3.47 0.03 . 1 . . . . . . . . 4401 1 781 . 1 1 75 75 PHE HB2 H 1 2.48 0.03 . 1 . . . . . . . . 4401 1 782 . 1 1 75 75 PHE HB3 H 1 1.99 0.03 . 1 . . . . . . . . 4401 1 783 . 1 1 75 75 PHE HD1 H 1 6.69 0.03 . 1 . . . . . . . . 4401 1 784 . 1 1 75 75 PHE HD2 H 1 6.68 0.03 . 3 . . . . . . . . 4401 1 785 . 1 1 75 75 PHE HE1 H 1 7.11 0.03 . 3 . . . . . . . . 4401 1 786 . 1 1 75 75 PHE HE2 H 1 7.08 0.03 . 3 . . . . . . . . 4401 1 787 . 1 1 75 75 PHE C C 13 176.47 0.50 . 1 . . . . . . . . 4401 1 788 . 1 1 75 75 PHE CA C 13 61.70 0.50 . 1 . . . . . . . . 4401 1 789 . 1 1 75 75 PHE CB C 13 38.61 0.50 . 1 . . . . . . . . 4401 1 790 . 1 1 75 75 PHE N N 15 118.14 0.25 . 1 . . . . . . . . 4401 1 791 . 1 1 76 76 GLU H H 1 7.75 0.03 . 1 . . . . . . . . 4401 1 792 . 1 1 76 76 GLU HA H 1 3.79 0.03 . 1 . . . . . . . . 4401 1 793 . 1 1 76 76 GLU HB2 H 1 1.99 0.03 . 1 . . . . . . . . 4401 1 794 . 1 1 76 76 GLU HB3 H 1 1.91 0.03 . 1 . . . . . . . . 4401 1 795 . 1 1 76 76 GLU HG2 H 1 2.35 0.03 . 1 . . . . . . . . 4401 1 796 . 1 1 76 76 GLU HG3 H 1 2.35 0.03 . 1 . . . . . . . . 4401 1 797 . 1 1 76 76 GLU C C 13 180.30 0.50 . 1 . . . . . . . . 4401 1 798 . 1 1 76 76 GLU CA C 13 59.12 0.50 . 1 . . . . . . . . 4401 1 799 . 1 1 76 76 GLU CB C 13 28.30 0.50 . 1 . . . . . . . . 4401 1 800 . 1 1 76 76 GLU CG C 13 36.08 0.50 . 1 . . . . . . . . 4401 1 801 . 1 1 76 76 GLU N N 15 116.05 0.25 . 1 . . . . . . . . 4401 1 802 . 1 1 77 77 GLU H H 1 8.21 0.03 . 1 . . . . . . . . 4401 1 803 . 1 1 77 77 GLU HA H 1 4.15 0.03 . 1 . . . . . . . . 4401 1 804 . 1 1 77 77 GLU HB2 H 1 1.97 0.03 . 1 . . . . . . . . 4401 1 805 . 1 1 77 77 GLU HB3 H 1 1.97 0.03 . 1 . . . . . . . . 4401 1 806 . 1 1 77 77 GLU HG2 H 1 2.45 0.03 . 1 . . . . . . . . 4401 1 807 . 1 1 77 77 GLU HG3 H 1 2.34 0.03 . 1 . . . . . . . . 4401 1 808 . 1 1 77 77 GLU C C 13 178.80 0.50 . 1 . . . . . . . . 4401 1 809 . 1 1 77 77 GLU CA C 13 58.08 0.50 . 1 . . . . . . . . 4401 1 810 . 1 1 77 77 GLU CB C 13 29.89 0.50 . 1 . . . . . . . . 4401 1 811 . 1 1 77 77 GLU N N 15 119.17 0.25 . 1 . . . . . . . . 4401 1 812 . 1 1 78 78 PHE H H 1 8.82 0.03 . 1 . . . . . . . . 4401 1 813 . 1 1 78 78 PHE HA H 1 4.00 0.03 . 1 . . . . . . . . 4401 1 814 . 1 1 78 78 PHE HB2 H 1 3.49 0.03 . 1 . . . . . . . . 4401 1 815 . 1 1 78 78 PHE HB3 H 1 3.19 0.03 . 1 . . . . . . . . 4401 1 816 . 1 1 78 78 PHE C C 13 177.31 0.50 . 1 . . . . . . . . 4401 1 817 . 1 1 78 78 PHE CA C 13 61.34 0.50 . 1 . . . . . . . . 4401 1 818 . 1 1 78 78 PHE CB C 13 40.09 0.50 . 1 . . . . . . . . 4401 1 819 . 1 1 78 78 PHE N N 15 121.86 0.25 . 1 . . . . . . . . 4401 1 820 . 1 1 79 79 LEU H H 1 8.00 0.03 . 1 . . . . . . . . 4401 1 821 . 1 1 79 79 LEU HA H 1 3.44 0.03 . 1 . . . . . . . . 4401 1 822 . 1 1 79 79 LEU HB2 H 1 2.00 0.03 . 1 . . . . . . . . 4401 1 823 . 1 1 79 79 LEU HB3 H 1 0.88 0.03 . 1 . . . . . . . . 4401 1 824 . 1 1 79 79 LEU HG H 1 1.11 0.03 . 1 . . . . . . . . 4401 1 825 . 1 1 79 79 LEU HD11 H 1 0.56 0.03 . 1 . . . . . . . . 4401 1 826 . 1 1 79 79 LEU HD12 H 1 0.56 0.03 . 1 . . . . . . . . 4401 1 827 . 1 1 79 79 LEU HD13 H 1 0.56 0.03 . 1 . . . . . . . . 4401 1 828 . 1 1 79 79 LEU HD21 H 1 0.60 0.03 . 1 . . . . . . . . 4401 1 829 . 1 1 79 79 LEU HD22 H 1 0.60 0.03 . 1 . . . . . . . . 4401 1 830 . 1 1 79 79 LEU HD23 H 1 0.60 0.03 . 1 . . . . . . . . 4401 1 831 . 1 1 79 79 LEU C C 13 179.15 0.50 . 1 . . . . . . . . 4401 1 832 . 1 1 79 79 LEU CA C 13 58.16 0.50 . 1 . . . . . . . . 4401 1 833 . 1 1 79 79 LEU CB C 13 41.09 0.50 . 1 . . . . . . . . 4401 1 834 . 1 1 79 79 LEU CD1 C 13 26.03 0.50 . 1 . . . . . . . . 4401 1 835 . 1 1 79 79 LEU CD2 C 13 23.51 0.50 . 1 . . . . . . . . 4401 1 836 . 1 1 79 79 LEU N N 15 118.49 0.25 . 1 . . . . . . . . 4401 1 837 . 1 1 80 80 VAL H H 1 7.28 0.03 . 1 . . . . . . . . 4401 1 838 . 1 1 80 80 VAL HA H 1 3.27 0.03 . 1 . . . . . . . . 4401 1 839 . 1 1 80 80 VAL HB H 1 2.43 0.03 . 1 . . . . . . . . 4401 1 840 . 1 1 80 80 VAL HG11 H 1 0.83 0.03 . 1 . . . . . . . . 4401 1 841 . 1 1 80 80 VAL HG12 H 1 0.83 0.03 . 1 . . . . . . . . 4401 1 842 . 1 1 80 80 VAL HG13 H 1 0.83 0.03 . 1 . . . . . . . . 4401 1 843 . 1 1 80 80 VAL HG21 H 1 1.07 0.03 . 1 . . . . . . . . 4401 1 844 . 1 1 80 80 VAL HG22 H 1 1.07 0.03 . 1 . . . . . . . . 4401 1 845 . 1 1 80 80 VAL HG23 H 1 1.07 0.03 . 1 . . . . . . . . 4401 1 846 . 1 1 80 80 VAL C C 13 178.18 0.50 . 1 . . . . . . . . 4401 1 847 . 1 1 80 80 VAL CA C 13 67.28 0.50 . 1 . . . . . . . . 4401 1 848 . 1 1 80 80 VAL CB C 13 31.20 0.50 . 1 . . . . . . . . 4401 1 849 . 1 1 80 80 VAL CG1 C 13 21.47 0.50 . 1 . . . . . . . . 4401 1 850 . 1 1 80 80 VAL CG2 C 13 24.06 0.50 . 1 . . . . . . . . 4401 1 851 . 1 1 80 80 VAL N N 15 118.60 0.25 . 1 . . . . . . . . 4401 1 852 . 1 1 81 81 MET H H 1 7.90 0.03 . 1 . . . . . . . . 4401 1 853 . 1 1 81 81 MET HA H 1 3.69 0.03 . 1 . . . . . . . . 4401 1 854 . 1 1 81 81 MET HB3 H 1 1.98 0.03 . 1 . . . . . . . . 4401 1 855 . 1 1 81 81 MET HG2 H 1 2.45 0.03 . 1 . . . . . . . . 4401 1 856 . 1 1 81 81 MET HE1 H 1 1.80 0.03 . 1 . . . . . . . . 4401 1 857 . 1 1 81 81 MET HE2 H 1 1.80 0.03 . 1 . . . . . . . . 4401 1 858 . 1 1 81 81 MET HE3 H 1 1.80 0.03 . 1 . . . . . . . . 4401 1 859 . 1 1 81 81 MET C C 13 178.31 0.50 . 1 . . . . . . . . 4401 1 860 . 1 1 81 81 MET CA C 13 59.43 0.50 . 1 . . . . . . . . 4401 1 861 . 1 1 81 81 MET CB C 13 33.47 0.50 . 1 . . . . . . . . 4401 1 862 . 1 1 81 81 MET CG C 13 31.59 0.50 . 1 . . . . . . . . 4401 1 863 . 1 1 81 81 MET CE C 13 17.44 0.50 . 1 . . . . . . . . 4401 1 864 . 1 1 81 81 MET N N 15 119.59 0.25 . 1 . . . . . . . . 4401 1 865 . 1 1 82 82 MET H H 1 8.04 0.03 . 1 . . . . . . . . 4401 1 866 . 1 1 82 82 MET HA H 1 4.08 0.03 . 1 . . . . . . . . 4401 1 867 . 1 1 82 82 MET HB2 H 1 1.39 0.03 . 1 . . . . . . . . 4401 1 868 . 1 1 82 82 MET HB3 H 1 0.85 0.03 . 1 . . . . . . . . 4401 1 869 . 1 1 82 82 MET HG3 H 1 1.08 0.03 . 1 . . . . . . . . 4401 1 870 . 1 1 82 82 MET C C 13 179.16 0.50 . 1 . . . . . . . . 4401 1 871 . 1 1 82 82 MET CA C 13 56.23 0.50 . 1 . . . . . . . . 4401 1 872 . 1 1 82 82 MET CB C 13 32.50 0.50 . 1 . . . . . . . . 4401 1 873 . 1 1 82 82 MET N N 15 116.82 0.25 . 1 . . . . . . . . 4401 1 874 . 1 1 83 83 VAL H H 1 8.43 0.03 . 1 . . . . . . . . 4401 1 875 . 1 1 83 83 VAL HA H 1 3.65 0.03 . 1 . . . . . . . . 4401 1 876 . 1 1 83 83 VAL HB H 1 2.04 0.03 . 1 . . . . . . . . 4401 1 877 . 1 1 83 83 VAL HG11 H 1 0.67 0.03 . 1 . . . . . . . . 4401 1 878 . 1 1 83 83 VAL HG12 H 1 0.67 0.03 . 1 . . . . . . . . 4401 1 879 . 1 1 83 83 VAL HG13 H 1 0.67 0.03 . 1 . . . . . . . . 4401 1 880 . 1 1 83 83 VAL HG21 H 1 1.17 0.03 . 1 . . . . . . . . 4401 1 881 . 1 1 83 83 VAL HG22 H 1 1.17 0.03 . 1 . . . . . . . . 4401 1 882 . 1 1 83 83 VAL HG23 H 1 1.17 0.03 . 1 . . . . . . . . 4401 1 883 . 1 1 83 83 VAL C C 13 178.17 0.50 . 1 . . . . . . . . 4401 1 884 . 1 1 83 83 VAL CA C 13 67.25 0.50 . 1 . . . . . . . . 4401 1 885 . 1 1 83 83 VAL CB C 13 31.53 0.50 . 1 . . . . . . . . 4401 1 886 . 1 1 83 83 VAL CG1 C 13 21.65 0.50 . 1 . . . . . . . . 4401 1 887 . 1 1 83 83 VAL CG2 C 13 24.44 0.50 . 1 . . . . . . . . 4401 1 888 . 1 1 83 83 VAL N N 15 120.87 0.25 . 1 . . . . . . . . 4401 1 889 . 1 1 84 84 ARG H H 1 8.10 0.03 . 1 . . . . . . . . 4401 1 890 . 1 1 84 84 ARG HA H 1 4.03 0.03 . 1 . . . . . . . . 4401 1 891 . 1 1 84 84 ARG HB2 H 1 1.82 0.03 . 1 . . . . . . . . 4401 1 892 . 1 1 84 84 ARG HB3 H 1 1.82 0.03 . 1 . . . . . . . . 4401 1 893 . 1 1 84 84 ARG HG3 H 1 1.57 0.03 . 1 . . . . . . . . 4401 1 894 . 1 1 84 84 ARG HD2 H 1 3.01 0.03 . 1 . . . . . . . . 4401 1 895 . 1 1 84 84 ARG HD3 H 1 3.01 0.03 . 1 . . . . . . . . 4401 1 896 . 1 1 84 84 ARG C C 13 178.71 0.50 . 1 . . . . . . . . 4401 1 897 . 1 1 84 84 ARG CA C 13 58.06 0.50 . 1 . . . . . . . . 4401 1 898 . 1 1 84 84 ARG CB C 13 30.12 0.50 . 1 . . . . . . . . 4401 1 899 . 1 1 84 84 ARG N N 15 119.16 0.25 . 1 . . . . . . . . 4401 1 900 . 1 1 85 85 GLN H H 1 7.49 0.03 . 1 . . . . . . . . 4401 1 901 . 1 1 85 85 GLN HA H 1 4.20 0.03 . 1 . . . . . . . . 4401 1 902 . 1 1 85 85 GLN C C 13 177.91 0.50 . 1 . . . . . . . . 4401 1 903 . 1 1 85 85 GLN CA C 13 57.51 0.50 . 1 . . . . . . . . 4401 1 904 . 1 1 85 85 GLN N N 15 116.08 0.25 . 1 . . . . . . . . 4401 1 905 . 1 1 86 86 MET H H 1 7.97 0.03 . 1 . . . . . . . . 4401 1 906 . 1 1 86 86 MET HA H 1 4.01 0.03 . 1 . . . . . . . . 4401 1 907 . 1 1 86 86 MET HB3 H 1 2.14 0.03 . 1 . . . . . . . . 4401 1 908 . 1 1 86 86 MET HE1 H 1 2.25 0.03 . 1 . . . . . . . . 4401 1 909 . 1 1 86 86 MET HE2 H 1 2.25 0.03 . 1 . . . . . . . . 4401 1 910 . 1 1 86 86 MET HE3 H 1 2.25 0.03 . 1 . . . . . . . . 4401 1 911 . 1 1 86 86 MET C C 13 179.37 0.50 . 1 . . . . . . . . 4401 1 912 . 1 1 86 86 MET CA C 13 59.40 0.50 . 1 . . . . . . . . 4401 1 913 . 1 1 86 86 MET CB C 13 30.11 0.50 . 1 . . . . . . . . 4401 1 914 . 1 1 86 86 MET CE C 13 17.39 0.50 . 1 . . . . . . . . 4401 1 915 . 1 1 86 86 MET N N 15 118.69 0.25 . 1 . . . . . . . . 4401 1 916 . 1 1 87 87 LYS H H 1 8.06 0.03 . 1 . . . . . . . . 4401 1 917 . 1 1 87 87 LYS HA H 1 4.16 0.03 . 1 . . . . . . . . 4401 1 918 . 1 1 87 87 LYS HB2 H 1 1.80 0.03 . 1 . . . . . . . . 4401 1 919 . 1 1 87 87 LYS HB3 H 1 1.69 0.03 . 1 . . . . . . . . 4401 1 920 . 1 1 87 87 LYS HG2 H 1 1.36 0.03 . 1 . . . . . . . . 4401 1 921 . 1 1 87 87 LYS HG3 H 1 1.22 0.03 . 1 . . . . . . . . 4401 1 922 . 1 1 87 87 LYS C C 13 177.32 0.50 . 1 . . . . . . . . 4401 1 923 . 1 1 87 87 LYS CA C 13 58.04 0.50 . 1 . . . . . . . . 4401 1 924 . 1 1 87 87 LYS CB C 13 33.19 0.50 . 1 . . . . . . . . 4401 1 925 . 1 1 87 87 LYS CG C 13 25.54 0.50 . 1 . . . . . . . . 4401 1 926 . 1 1 87 87 LYS N N 15 119.66 0.25 . 1 . . . . . . . . 4401 1 927 . 1 1 88 88 GLU H H 1 7.86 0.03 . 1 . . . . . . . . 4401 1 928 . 1 1 88 88 GLU HA H 1 4.23 0.03 . 1 . . . . . . . . 4401 1 929 . 1 1 88 88 GLU HB2 H 1 2.10 0.03 . 1 . . . . . . . . 4401 1 930 . 1 1 88 88 GLU HB3 H 1 2.03 0.03 . 1 . . . . . . . . 4401 1 931 . 1 1 88 88 GLU HG2 H 1 2.36 0.03 . 1 . . . . . . . . 4401 1 932 . 1 1 88 88 GLU HG3 H 1 2.29 0.03 . 1 . . . . . . . . 4401 1 933 . 1 1 88 88 GLU C C 13 176.59 0.50 . 1 . . . . . . . . 4401 1 934 . 1 1 88 88 GLU CA C 13 57.42 0.50 . 1 . . . . . . . . 4401 1 935 . 1 1 88 88 GLU CB C 13 30.30 0.50 . 1 . . . . . . . . 4401 1 936 . 1 1 88 88 GLU CG C 13 36.42 0.50 . 1 . . . . . . . . 4401 1 937 . 1 1 88 88 GLU N N 15 119.98 0.25 . 1 . . . . . . . . 4401 1 938 . 1 1 89 89 ASP H H 1 8.08 0.03 . 1 . . . . . . . . 4401 1 939 . 1 1 89 89 ASP HA H 1 4.65 0.03 . 1 . . . . . . . . 4401 1 940 . 1 1 89 89 ASP HB2 H 1 2.80 0.03 . 1 . . . . . . . . 4401 1 941 . 1 1 89 89 ASP HB3 H 1 2.65 0.03 . 1 . . . . . . . . 4401 1 942 . 1 1 89 89 ASP C C 13 175.02 0.50 . 1 . . . . . . . . 4401 1 943 . 1 1 89 89 ASP CA C 13 54.64 0.50 . 1 . . . . . . . . 4401 1 944 . 1 1 89 89 ASP CB C 13 41.51 0.50 . 1 . . . . . . . . 4401 1 945 . 1 1 89 89 ASP N N 15 120.74 0.25 . 1 . . . . . . . . 4401 1 946 . 1 1 90 90 ALA H H 1 7.60 0.03 . 1 . . . . . . . . 4401 1 947 . 1 1 90 90 ALA HA H 1 4.13 0.03 . 1 . . . . . . . . 4401 1 948 . 1 1 90 90 ALA HB1 H 1 1.39 0.03 . 1 . . . . . . . . 4401 1 949 . 1 1 90 90 ALA HB2 H 1 1.39 0.03 . 1 . . . . . . . . 4401 1 950 . 1 1 90 90 ALA HB3 H 1 1.39 0.03 . 1 . . . . . . . . 4401 1 951 . 1 1 90 90 ALA C C 13 170.54 0.50 . 1 . . . . . . . . 4401 1 952 . 1 1 90 90 ALA CA C 13 54.16 0.50 . 1 . . . . . . . . 4401 1 953 . 1 1 90 90 ALA CB C 13 20.17 0.50 . 1 . . . . . . . . 4401 1 954 . 1 1 90 90 ALA N N 15 128.96 0.25 . 1 . . . . . . . . 4401 1 stop_ save_