data_6081 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6081 _Entry.Title ; 1H, 13C and 15N chemical shift assignment of fly troponin C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-01-20 _Entry.Accession_date 2004-01-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Gian Felice' 'De Nicola' . . . 6081 2 Rolf Biekofsky . . . 6081 3 Bogos Agianian . . . 6081 4 Belinda Bullard . . . 6081 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6081 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 903 6081 '13C chemical shifts' 590 6081 '15N chemical shifts' 171 6081 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-06-28 . update BMRB 'citation updated' 6081 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6081 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15213469 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 15N and 13C Resonances of Holo Isoform 4 of Lethocerus Indicus Troponin C ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 461 _Citation.Page_last 462 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Gian Felice' 'De Nicola' . . . 6081 1 2 Rolf Biekofsky . . . 6081 1 3 Geoff Kelly . . . 6081 1 4 Bogos Agianian . . . 6081 1 5 Feng Qiu . . . 6081 1 6 Belinda Bullard . . . 6081 1 7 Annalisa Pastore . . . 6081 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Trononin C' 6081 1 muscle 6081 1 EF-hands 6081 1 calcium 6081 1 Lethocerus 6081 1 stop_ save_ save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6081 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12558500 _Citation.Full_citation ; Qiu F, Lakey A, Agianian B, Hutchings A, Butcher GW, Labeit S, Leonard K, Bullard B. Troponin C in different insect muscle types: identification of two isoforms in Lethocerus, Drosophila and Anopheles that are specific to asynchronous flight muscle in the adult insect. Biochem J. 2003 May 1; 371(Pt 3): 811-21. ; _Citation.Title 'Troponin C in different insect muscle types: identification of two isoforms in Lethocerus, Drosophila and Anopheles that are specific to asynchronous flight muscle in the adult insect.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical journal' _Citation.Journal_volume 371 _Citation.Journal_issue 'Pt 3' _Citation.Journal_ASTM . _Citation.Journal_ISSN 0264-6021 _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 811 _Citation.Page_last 821 _Citation.Year 2003 _Citation.Details ; The indirect flight muscles (IFMs) of Lethocerus (giant water bug) and Drosophila (fruitfly) are asynchronous: oscillatory contractions are produced by periodic stretches in the presence of a Ca(2+) concentration that does not fully activate the muscle. The troponin complex on thin filaments regulates contraction in striated muscle. The complex in IFM has subunits that are specific to this muscle type, and stretch activation may act through troponin. Lethocerus and Drosophila have an unusual isoform of the Ca(2+)-binding subunit of troponin, troponin C (TnC), with a single Ca(2+)-binding site near the C-terminus (domain IV); this isoform is only in IFMs, together with a minor isoform with an additional Ca(2+)-binding site in the N-terminal region (domain II). Lethocerus has another TnC isoform in leg muscle which also has two Ca(2+)-binding sites. Ca(2+) binds more strongly to domain IV than to domain II in two-site isoforms. There are four isoforms in Drosophila and Anopheles (malarial mosquito), three of which are also in adult Lethocerus. A larval isoform has not been identified in Lethocerus. Different TnC isoforms are expressed in the embryonic, larval, pupal and adult stages of Drosophila; the expression of the two IFM isoforms is increased in the pupal stage. Immunoelectron microscopy shows the distribution of the major IFM isoform with one Ca(2+)-binding site is uniform along Lethocerus thin filaments. We suggest that initial activation of IFM is by Ca(2+) binding to troponin with the two-site TnC, and full activation is through the action of stretch on the complex with the one-site isoform. ; 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 Feng Qiu F. . . 6081 2 2 Anne Lakey A. . . 6081 2 3 Bogos Agianian B. . . 6081 2 4 Amanda Hutchings A. . . 6081 2 5 'Geoffrey W' Butcher G. W. . 6081 2 6 Siegfried Labeit S. . . 6081 2 7 Kevin Leonard K. . . 6081 2 8 Belinda Bullard B. . . 6081 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TnC _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TnC _Assembly.Entry_ID 6081 _Assembly.ID 1 _Assembly.Name '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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6081 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 'TnC monomer' 1 $TnC_monomer . . . native . . . . . 6081 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'troponin C' system 6081 1 TnC abbreviation 6081 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'muscle contraction' 6081 1 'calcium binding' 6081 1 'asynchronous oscillatory contraction of fly wings' 6081 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TnC_monomer _Entity.Sf_category entity _Entity.Sf_framecode TnC_monomer _Entity.Entry_ID 6081 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '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 ; GAMGDVSKLSSNQVKLLETA FRDFETPEGSGRVSTDQIGI ILEVLGIQQTKSTIRQLIDE FDPFGNGDIDFDSFKIIGAR FLGEEVNPEQMQQELREAFR LYDKEGNGYISTDVMREILA ELDETLSSEDLDAMIDEIDA DGSGTVDFEEFMGVMTGGDE ; _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 160 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17577.22 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; This is the theoretical mass of the sequence without the two additional residues (GA) added N-terminally for purification purposes. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JNF . "Solution Structure Of Fly Troponin C, Isoform F1" . . . . . 98.75 158 100.00 100.00 2.51e-105 . . . . 6081 1 2 no EMBL CAD55595 . "troponin C [Lethocerus indicus]" . . . . . 98.75 158 100.00 100.00 2.51e-105 . . . . 6081 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Troponin C' common 6081 1 TnC abbreviation 6081 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 -2 GLY . 6081 1 2 -1 ALA . 6081 1 3 1 MET . 6081 1 4 2 GLY . 6081 1 5 3 ASP . 6081 1 6 4 VAL . 6081 1 7 5 SER . 6081 1 8 6 LYS . 6081 1 9 7 LEU . 6081 1 10 8 SER . 6081 1 11 9 SER . 6081 1 12 10 ASN . 6081 1 13 11 GLN . 6081 1 14 12 VAL . 6081 1 15 13 LYS . 6081 1 16 14 LEU . 6081 1 17 15 LEU . 6081 1 18 16 GLU . 6081 1 19 17 THR . 6081 1 20 18 ALA . 6081 1 21 19 PHE . 6081 1 22 20 ARG . 6081 1 23 21 ASP . 6081 1 24 22 PHE . 6081 1 25 23 GLU . 6081 1 26 24 THR . 6081 1 27 25 PRO . 6081 1 28 26 GLU . 6081 1 29 27 GLY . 6081 1 30 28 SER . 6081 1 31 29 GLY . 6081 1 32 30 ARG . 6081 1 33 31 VAL . 6081 1 34 32 SER . 6081 1 35 33 THR . 6081 1 36 34 ASP . 6081 1 37 35 GLN . 6081 1 38 36 ILE . 6081 1 39 37 GLY . 6081 1 40 38 ILE . 6081 1 41 39 ILE . 6081 1 42 40 LEU . 6081 1 43 41 GLU . 6081 1 44 42 VAL . 6081 1 45 43 LEU . 6081 1 46 44 GLY . 6081 1 47 45 ILE . 6081 1 48 46 GLN . 6081 1 49 47 GLN . 6081 1 50 48 THR . 6081 1 51 49 LYS . 6081 1 52 50 SER . 6081 1 53 51 THR . 6081 1 54 52 ILE . 6081 1 55 53 ARG . 6081 1 56 54 GLN . 6081 1 57 55 LEU . 6081 1 58 56 ILE . 6081 1 59 57 ASP . 6081 1 60 58 GLU . 6081 1 61 59 PHE . 6081 1 62 60 ASP . 6081 1 63 61 PRO . 6081 1 64 62 PHE . 6081 1 65 63 GLY . 6081 1 66 64 ASN . 6081 1 67 65 GLY . 6081 1 68 66 ASP . 6081 1 69 67 ILE . 6081 1 70 68 ASP . 6081 1 71 69 PHE . 6081 1 72 70 ASP . 6081 1 73 71 SER . 6081 1 74 72 PHE . 6081 1 75 73 LYS . 6081 1 76 74 ILE . 6081 1 77 75 ILE . 6081 1 78 76 GLY . 6081 1 79 77 ALA . 6081 1 80 78 ARG . 6081 1 81 79 PHE . 6081 1 82 80 LEU . 6081 1 83 81 GLY . 6081 1 84 82 GLU . 6081 1 85 83 GLU . 6081 1 86 84 VAL . 6081 1 87 85 ASN . 6081 1 88 86 PRO . 6081 1 89 87 GLU . 6081 1 90 88 GLN . 6081 1 91 89 MET . 6081 1 92 90 GLN . 6081 1 93 91 GLN . 6081 1 94 92 GLU . 6081 1 95 93 LEU . 6081 1 96 94 ARG . 6081 1 97 95 GLU . 6081 1 98 96 ALA . 6081 1 99 97 PHE . 6081 1 100 98 ARG . 6081 1 101 99 LEU . 6081 1 102 100 TYR . 6081 1 103 101 ASP . 6081 1 104 102 LYS . 6081 1 105 103 GLU . 6081 1 106 104 GLY . 6081 1 107 105 ASN . 6081 1 108 106 GLY . 6081 1 109 107 TYR . 6081 1 110 108 ILE . 6081 1 111 109 SER . 6081 1 112 110 THR . 6081 1 113 111 ASP . 6081 1 114 112 VAL . 6081 1 115 113 MET . 6081 1 116 114 ARG . 6081 1 117 115 GLU . 6081 1 118 116 ILE . 6081 1 119 117 LEU . 6081 1 120 118 ALA . 6081 1 121 119 GLU . 6081 1 122 120 LEU . 6081 1 123 121 ASP . 6081 1 124 122 GLU . 6081 1 125 123 THR . 6081 1 126 124 LEU . 6081 1 127 125 SER . 6081 1 128 126 SER . 6081 1 129 127 GLU . 6081 1 130 128 ASP . 6081 1 131 129 LEU . 6081 1 132 130 ASP . 6081 1 133 131 ALA . 6081 1 134 132 MET . 6081 1 135 133 ILE . 6081 1 136 134 ASP . 6081 1 137 135 GLU . 6081 1 138 136 ILE . 6081 1 139 137 ASP . 6081 1 140 138 ALA . 6081 1 141 139 ASP . 6081 1 142 140 GLY . 6081 1 143 141 SER . 6081 1 144 142 GLY . 6081 1 145 143 THR . 6081 1 146 144 VAL . 6081 1 147 145 ASP . 6081 1 148 146 PHE . 6081 1 149 147 GLU . 6081 1 150 148 GLU . 6081 1 151 149 PHE . 6081 1 152 150 MET . 6081 1 153 151 GLY . 6081 1 154 152 VAL . 6081 1 155 153 MET . 6081 1 156 154 THR . 6081 1 157 155 GLY . 6081 1 158 156 GLY . 6081 1 159 157 ASP . 6081 1 160 158 GLU . 6081 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6081 1 . ALA 2 2 6081 1 . MET 3 3 6081 1 . GLY 4 4 6081 1 . ASP 5 5 6081 1 . VAL 6 6 6081 1 . SER 7 7 6081 1 . LYS 8 8 6081 1 . LEU 9 9 6081 1 . SER 10 10 6081 1 . SER 11 11 6081 1 . ASN 12 12 6081 1 . GLN 13 13 6081 1 . VAL 14 14 6081 1 . LYS 15 15 6081 1 . LEU 16 16 6081 1 . LEU 17 17 6081 1 . GLU 18 18 6081 1 . THR 19 19 6081 1 . ALA 20 20 6081 1 . PHE 21 21 6081 1 . ARG 22 22 6081 1 . ASP 23 23 6081 1 . PHE 24 24 6081 1 . GLU 25 25 6081 1 . THR 26 26 6081 1 . PRO 27 27 6081 1 . GLU 28 28 6081 1 . GLY 29 29 6081 1 . SER 30 30 6081 1 . GLY 31 31 6081 1 . ARG 32 32 6081 1 . VAL 33 33 6081 1 . SER 34 34 6081 1 . THR 35 35 6081 1 . ASP 36 36 6081 1 . GLN 37 37 6081 1 . ILE 38 38 6081 1 . GLY 39 39 6081 1 . ILE 40 40 6081 1 . ILE 41 41 6081 1 . LEU 42 42 6081 1 . GLU 43 43 6081 1 . VAL 44 44 6081 1 . LEU 45 45 6081 1 . GLY 46 46 6081 1 . ILE 47 47 6081 1 . GLN 48 48 6081 1 . GLN 49 49 6081 1 . THR 50 50 6081 1 . LYS 51 51 6081 1 . SER 52 52 6081 1 . THR 53 53 6081 1 . ILE 54 54 6081 1 . ARG 55 55 6081 1 . GLN 56 56 6081 1 . LEU 57 57 6081 1 . ILE 58 58 6081 1 . ASP 59 59 6081 1 . GLU 60 60 6081 1 . PHE 61 61 6081 1 . ASP 62 62 6081 1 . PRO 63 63 6081 1 . PHE 64 64 6081 1 . GLY 65 65 6081 1 . ASN 66 66 6081 1 . GLY 67 67 6081 1 . ASP 68 68 6081 1 . ILE 69 69 6081 1 . ASP 70 70 6081 1 . PHE 71 71 6081 1 . ASP 72 72 6081 1 . SER 73 73 6081 1 . PHE 74 74 6081 1 . LYS 75 75 6081 1 . ILE 76 76 6081 1 . ILE 77 77 6081 1 . GLY 78 78 6081 1 . ALA 79 79 6081 1 . ARG 80 80 6081 1 . PHE 81 81 6081 1 . LEU 82 82 6081 1 . GLY 83 83 6081 1 . GLU 84 84 6081 1 . GLU 85 85 6081 1 . VAL 86 86 6081 1 . ASN 87 87 6081 1 . PRO 88 88 6081 1 . GLU 89 89 6081 1 . GLN 90 90 6081 1 . MET 91 91 6081 1 . GLN 92 92 6081 1 . GLN 93 93 6081 1 . GLU 94 94 6081 1 . LEU 95 95 6081 1 . ARG 96 96 6081 1 . GLU 97 97 6081 1 . ALA 98 98 6081 1 . PHE 99 99 6081 1 . ARG 100 100 6081 1 . LEU 101 101 6081 1 . TYR 102 102 6081 1 . ASP 103 103 6081 1 . LYS 104 104 6081 1 . GLU 105 105 6081 1 . GLY 106 106 6081 1 . ASN 107 107 6081 1 . GLY 108 108 6081 1 . TYR 109 109 6081 1 . ILE 110 110 6081 1 . SER 111 111 6081 1 . THR 112 112 6081 1 . ASP 113 113 6081 1 . VAL 114 114 6081 1 . MET 115 115 6081 1 . ARG 116 116 6081 1 . GLU 117 117 6081 1 . ILE 118 118 6081 1 . LEU 119 119 6081 1 . ALA 120 120 6081 1 . GLU 121 121 6081 1 . LEU 122 122 6081 1 . ASP 123 123 6081 1 . GLU 124 124 6081 1 . THR 125 125 6081 1 . LEU 126 126 6081 1 . SER 127 127 6081 1 . SER 128 128 6081 1 . GLU 129 129 6081 1 . ASP 130 130 6081 1 . LEU 131 131 6081 1 . ASP 132 132 6081 1 . ALA 133 133 6081 1 . MET 134 134 6081 1 . ILE 135 135 6081 1 . ASP 136 136 6081 1 . GLU 137 137 6081 1 . ILE 138 138 6081 1 . ASP 139 139 6081 1 . ALA 140 140 6081 1 . ASP 141 141 6081 1 . GLY 142 142 6081 1 . SER 143 143 6081 1 . GLY 144 144 6081 1 . THR 145 145 6081 1 . VAL 146 146 6081 1 . ASP 147 147 6081 1 . PHE 148 148 6081 1 . GLU 149 149 6081 1 . GLU 150 150 6081 1 . PHE 151 151 6081 1 . MET 152 152 6081 1 . GLY 153 153 6081 1 . VAL 154 154 6081 1 . MET 155 155 6081 1 . THR 156 156 6081 1 . GLY 157 157 6081 1 . GLY 158 158 6081 1 . ASP 159 159 6081 1 . GLU 160 160 6081 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6081 _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 $TnC_monomer . 212017 . . 'Lethocerus indicus' 'Lethocerus indicus' . . Eukaryota Metazoa Lethocerus indicus . . . . . . . . . . . . . . . . . . . . . 6081 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 6081 _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 $TnC_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . pet24d(M11) . . . . . . ; pet24d(M11) vector containing an N-terminal hexahistidine tag followed by a TEV protease cleavage site. ; . . 6081 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6081 _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 'Troponin C' [U-15N] . . 1 $TnC_monomer . . 0.9 . . mM . . . . 6081 1 2 KCl . . . . . . . 100 . . mM . . . . 6081 1 3 CaCl(2) . . . . . . . 9 . . mM . . . . 6081 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6081 _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 'Troponin C' '[U-13C; U-15N]' . . 1 $TnC_monomer . . 0.97 . . mM . . . . 6081 2 2 KCl . . . . . . . 100 . . mM . . . . 6081 2 3 CaCl(2) . . . . . . . 9 . . mM . . . . 6081 2 stop_ save_ ####################### # Sample conditions # ####################### save_experimental_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode experimental_conditions _Sample_condition_list.Entry_ID 6081 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.02 n/a 6081 1 temperature 298 1 K 6081 1 'ionic strength' 0.125 0.02 M 6081 1 pressure 997 10 mbar 6081 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6081 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignments' 6081 1 stop_ save_ save_NMR_PIPE _Software.Sf_category software _Software.Sf_framecode NMR_PIPE _Software.Entry_ID 6081 _Software.ID 2 _Software.Name 'NMR PIPE' _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra processing' 6081 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6081 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6081 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6081 _NMR_spectrometer.ID 3 _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 6081 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 600 . . . 6081 1 2 NMR_spectrometer_2 Varian INOVA . 500 . . . 6081 1 3 NMR_spectrometer_3 Varian UNITY . 600 . . . 6081 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 6081 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 1 2 '15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 1 3 '15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 1 5 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 1 6 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 1 7 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 1 8 CCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 1 9 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 1 10 HCCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 1 11 13C-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6081 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 6081 _NMR_spec_expt.ID 1 _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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6081 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 6081 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '15N TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6081 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 6081 _NMR_spec_expt.ID 5 _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6081 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCANH _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 6081 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCACONH _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 6081 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CCONH _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 6081 _NMR_spec_expt.ID 9 _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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6081 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCONH _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 6081 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 13C-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 6081 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6081 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6081 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6081 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_SHIFT_SET_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode SHIFT_SET_1 _Assigned_chem_shift_list.Entry_ID 6081 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $experimental_conditions _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 ; Some unassigned signals were observed that may correspond to some degradation species. ; _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 . 6081 1 . . 2 $sample_2 . 6081 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 3 3 MET N N 15 118.986 0.000 . 1 . . . . . . . . 6081 1 2 . 1 1 3 3 MET H H 1 8.605 0.000 . 1 . . . . . . . . 6081 1 3 . 1 1 3 3 MET CA C 13 55.958 0.000 . 1 . . . . . . . . 6081 1 4 . 1 1 3 3 MET HA H 1 4.399 0.015 . 1 . . . . . . . . 6081 1 5 . 1 1 3 3 MET CB C 13 32.243 0.000 . 1 . . . . . . . . 6081 1 6 . 1 1 3 3 MET HB2 H 1 2.101 0.021 . 1 . . . . . . . . 6081 1 7 . 1 1 3 3 MET HG2 H 1 2.577 0.000 . 1 . . . . . . . . 6081 1 8 . 1 1 3 3 MET C C 13 176.837 0.000 . 1 . . . . . . . . 6081 1 9 . 1 1 4 4 GLY N N 15 108.732 0.000 . 1 . . . . . . . . 6081 1 10 . 1 1 4 4 GLY H H 1 8.168 0.000 . 1 . . . . . . . . 6081 1 11 . 1 1 4 4 GLY CA C 13 45.695 0.000 . 1 . . . . . . . . 6081 1 12 . 1 1 4 4 GLY HA2 H 1 3.973 0.002 . 1 . . . . . . . . 6081 1 13 . 1 1 4 4 GLY HA3 H 1 3.673 0.001 . 1 . . . . . . . . 6081 1 14 . 1 1 4 4 GLY C C 13 173.181 0.000 . 1 . . . . . . . . 6081 1 15 . 1 1 5 5 ASP N N 15 120.542 0.000 . 1 . . . . . . . . 6081 1 16 . 1 1 5 5 ASP H H 1 7.907 0.000 . 1 . . . . . . . . 6081 1 17 . 1 1 5 5 ASP CA C 13 53.642 0.000 . 1 . . . . . . . . 6081 1 18 . 1 1 5 5 ASP HA H 1 4.667 0.004 . 1 . . . . . . . . 6081 1 19 . 1 1 5 5 ASP CB C 13 41.844 0.000 . 1 . . . . . . . . 6081 1 20 . 1 1 5 5 ASP HB2 H 1 2.725 0.000 . 1 . . . . . . . . 6081 1 21 . 1 1 5 5 ASP HB3 H 1 2.586 0.001 . 1 . . . . . . . . 6081 1 22 . 1 1 5 5 ASP C C 13 176.944 0.000 . 1 . . . . . . . . 6081 1 23 . 1 1 6 6 VAL N N 15 122.019 0.000 . 1 . . . . . . . . 6081 1 24 . 1 1 6 6 VAL H H 1 8.418 0.000 . 1 . . . . . . . . 6081 1 25 . 1 1 6 6 VAL CA C 13 63.726 0.000 . 1 . . . . . . . . 6081 1 26 . 1 1 6 6 VAL HA H 1 3.788 0.002 . 1 . . . . . . . . 6081 1 27 . 1 1 6 6 VAL CB C 13 32.172 0.000 . 1 . . . . . . . . 6081 1 28 . 1 1 6 6 VAL HB H 1 2.069 0.003 . 1 . . . . . . . . 6081 1 29 . 1 1 6 6 VAL CG1 C 13 21.313 0.000 . 1 . . . . . . . . 6081 1 30 . 1 1 6 6 VAL CG2 C 13 21.313 0.000 . 1 . . . . . . . . 6081 1 31 . 1 1 6 6 VAL HG21 H 1 0.891 0.004 . 1 . . . . . . . . 6081 1 32 . 1 1 6 6 VAL HG22 H 1 0.891 0.004 . 1 . . . . . . . . 6081 1 33 . 1 1 6 6 VAL HG23 H 1 0.891 0.004 . 1 . . . . . . . . 6081 1 34 . 1 1 6 6 VAL C C 13 177.051 0.000 . 1 . . . . . . . . 6081 1 35 . 1 1 7 7 SER N N 15 117.802 0.000 . 1 . . . . . . . . 6081 1 36 . 1 1 7 7 SER H H 1 8.429 0.000 . 1 . . . . . . . . 6081 1 37 . 1 1 7 7 SER CA C 13 60.340 0.000 . 1 . . . . . . . . 6081 1 38 . 1 1 7 7 SER HA H 1 4.287 0.002 . 1 . . . . . . . . 6081 1 39 . 1 1 7 7 SER CB C 13 63.558 0.000 . 1 . . . . . . . . 6081 1 40 . 1 1 7 7 SER HB2 H 1 3.901 0.000 . 1 . . . . . . . . 6081 1 41 . 1 1 7 7 SER C C 13 174.804 0.000 . 1 . . . . . . . . 6081 1 42 . 1 1 8 8 LYS N N 15 120.501 0.000 . 1 . . . . . . . . 6081 1 43 . 1 1 8 8 LYS H H 1 7.782 0.000 . 1 . . . . . . . . 6081 1 44 . 1 1 8 8 LYS CA C 13 55.863 0.000 . 1 . . . . . . . . 6081 1 45 . 1 1 8 8 LYS HA H 1 4.326 0.006 . 1 . . . . . . . . 6081 1 46 . 1 1 8 8 LYS CB C 13 32.384 0.000 . 1 . . . . . . . . 6081 1 47 . 1 1 8 8 LYS HB2 H 1 1.988 0.005 . 1 . . . . . . . . 6081 1 48 . 1 1 8 8 LYS HB3 H 1 1.807 0.003 . 1 . . . . . . . . 6081 1 49 . 1 1 8 8 LYS CG C 13 21.311 0.000 . 1 . . . . . . . . 6081 1 50 . 1 1 8 8 LYS HG2 H 1 1.371 0.008 . 1 . . . . . . . . 6081 1 51 . 1 1 8 8 LYS CD C 13 29.763 0.000 . 1 . . . . . . . . 6081 1 52 . 1 1 8 8 LYS HD2 H 1 1.658 0.007 . 1 . . . . . . . . 6081 1 53 . 1 1 8 8 LYS HE2 H 1 2.950 0.000 . 1 . . . . . . . . 6081 1 54 . 1 1 8 8 LYS C C 13 176.906 0.000 . 1 . . . . . . . . 6081 1 55 . 1 1 9 9 LEU N N 15 120.079 0.000 . 1 . . . . . . . . 6081 1 56 . 1 1 9 9 LEU H H 1 7.295 0.000 . 1 . . . . . . . . 6081 1 57 . 1 1 9 9 LEU CA C 13 54.632 0.000 . 1 . . . . . . . . 6081 1 58 . 1 1 9 9 LEU HA H 1 4.475 0.007 . 1 . . . . . . . . 6081 1 59 . 1 1 9 9 LEU CB C 13 43.609 0.000 . 1 . . . . . . . . 6081 1 60 . 1 1 9 9 LEU HB2 H 1 1.741 0.011 . 1 . . . . . . . . 6081 1 61 . 1 1 9 9 LEU HB3 H 1 1.377 0.013 . 1 . . . . . . . . 6081 1 62 . 1 1 9 9 LEU CG C 13 26.800 0.000 . 1 . . . . . . . . 6081 1 63 . 1 1 9 9 LEU HG H 1 1.786 0.020 . 1 . . . . . . . . 6081 1 64 . 1 1 9 9 LEU HD11 H 1 0.784 0.009 . 1 . . . . . . . . 6081 1 65 . 1 1 9 9 LEU HD12 H 1 0.784 0.009 . 1 . . . . . . . . 6081 1 66 . 1 1 9 9 LEU HD13 H 1 0.784 0.009 . 1 . . . . . . . . 6081 1 67 . 1 1 9 9 LEU HD21 H 1 0.686 0.002 . 1 . . . . . . . . 6081 1 68 . 1 1 9 9 LEU HD22 H 1 0.686 0.002 . 1 . . . . . . . . 6081 1 69 . 1 1 9 9 LEU HD23 H 1 0.686 0.002 . 1 . . . . . . . . 6081 1 70 . 1 1 9 9 LEU C C 13 177.550 0.000 . 1 . . . . . . . . 6081 1 71 . 1 1 10 10 SER N N 15 120.678 0.000 . 1 . . . . . . . . 6081 1 72 . 1 1 10 10 SER H H 1 9.228 0.000 . 1 . . . . . . . . 6081 1 73 . 1 1 10 10 SER CA C 13 56.876 0.000 . 1 . . . . . . . . 6081 1 74 . 1 1 10 10 SER HA H 1 4.600 0.000 . 1 . . . . . . . . 6081 1 75 . 1 1 10 10 SER CB C 13 65.635 0.000 . 1 . . . . . . . . 6081 1 76 . 1 1 10 10 SER HB2 H 1 4.460 0.000 . 1 . . . . . . . . 6081 1 77 . 1 1 10 10 SER C C 13 175.352 0.000 . 1 . . . . . . . . 6081 1 78 . 1 1 11 11 SER N N 15 116.966 0.000 . 1 . . . . . . . . 6081 1 79 . 1 1 11 11 SER H H 1 9.145 0.000 . 1 . . . . . . . . 6081 1 80 . 1 1 11 11 SER HA H 1 4.150 0.000 . 1 . . . . . . . . 6081 1 81 . 1 1 11 11 SER HB2 H 1 3.960 0.000 . 1 . . . . . . . . 6081 1 82 . 1 1 12 12 ASN CA C 13 56.310 0.000 . 1 . . . . . . . . 6081 1 83 . 1 1 12 12 ASN CB C 13 38.590 0.000 . 1 . . . . . . . . 6081 1 84 . 1 1 12 12 ASN ND2 N 15 114.042 0.002 . 1 . . . . . . . . 6081 1 85 . 1 1 12 12 ASN HD21 H 1 7.965 0.000 . 1 . . . . . . . . 6081 1 86 . 1 1 12 12 ASN HD22 H 1 7.015 0.000 . 1 . . . . . . . . 6081 1 87 . 1 1 12 12 ASN C C 13 177.997 0.000 . 1 . . . . . . . . 6081 1 88 . 1 1 13 13 GLN N N 15 120.702 0.000 . 1 . . . . . . . . 6081 1 89 . 1 1 13 13 GLN H H 1 7.990 0.000 . 1 . . . . . . . . 6081 1 90 . 1 1 13 13 GLN CA C 13 59.490 0.000 . 1 . . . . . . . . 6081 1 91 . 1 1 13 13 GLN HA H 1 4.155 0.006 . 1 . . . . . . . . 6081 1 92 . 1 1 13 13 GLN CB C 13 29.441 0.000 . 1 . . . . . . . . 6081 1 93 . 1 1 13 13 GLN HB2 H 1 2.217 0.060 . 1 . . . . . . . . 6081 1 94 . 1 1 13 13 GLN CG C 13 36.097 0.000 . 1 . . . . . . . . 6081 1 95 . 1 1 13 13 GLN HG2 H 1 2.507 0.005 . 1 . . . . . . . . 6081 1 96 . 1 1 13 13 GLN C C 13 178.228 0.000 . 1 . . . . . . . . 6081 1 97 . 1 1 14 14 VAL N N 15 119.358 0.000 . 1 . . . . . . . . 6081 1 98 . 1 1 14 14 VAL H H 1 8.442 0.000 . 1 . . . . . . . . 6081 1 99 . 1 1 14 14 VAL CA C 13 68.489 0.000 . 1 . . . . . . . . 6081 1 100 . 1 1 14 14 VAL HA H 1 3.543 0.005 . 1 . . . . . . . . 6081 1 101 . 1 1 14 14 VAL CB C 13 31.456 0.000 . 1 . . . . . . . . 6081 1 102 . 1 1 14 14 VAL HB H 1 2.183 0.007 . 1 . . . . . . . . 6081 1 103 . 1 1 14 14 VAL HG11 H 1 1.057 0.003 . 1 . . . . . . . . 6081 1 104 . 1 1 14 14 VAL HG12 H 1 1.057 0.003 . 1 . . . . . . . . 6081 1 105 . 1 1 14 14 VAL HG13 H 1 1.057 0.003 . 1 . . . . . . . . 6081 1 106 . 1 1 14 14 VAL HG21 H 1 1.032 0.003 . 1 . . . . . . . . 6081 1 107 . 1 1 14 14 VAL HG22 H 1 1.032 0.003 . 1 . . . . . . . . 6081 1 108 . 1 1 14 14 VAL HG23 H 1 1.032 0.003 . 1 . . . . . . . . 6081 1 109 . 1 1 14 14 VAL CG1 C 13 21.848 0.000 . 1 . . . . . . . . 6081 1 110 . 1 1 14 14 VAL CG2 C 13 24.065 0.000 . 1 . . . . . . . . 6081 1 111 . 1 1 14 14 VAL C C 13 177.702 0.000 . 1 . . . . . . . . 6081 1 112 . 1 1 15 15 LYS N N 15 119.372 0.000 . 1 . . . . . . . . 6081 1 113 . 1 1 15 15 LYS H H 1 7.781 0.000 . 1 . . . . . . . . 6081 1 114 . 1 1 15 15 LYS CA C 13 59.369 0.000 . 1 . . . . . . . . 6081 1 115 . 1 1 15 15 LYS HA H 1 4.242 0.007 . 1 . . . . . . . . 6081 1 116 . 1 1 15 15 LYS CB C 13 31.664 0.000 . 1 . . . . . . . . 6081 1 117 . 1 1 15 15 LYS HB2 H 1 1.986 0.005 . 1 . . . . . . . . 6081 1 118 . 1 1 15 15 LYS CG C 13 24.612 0.000 . 1 . . . . . . . . 6081 1 119 . 1 1 15 15 LYS HG2 H 1 1.509 0.005 . 1 . . . . . . . . 6081 1 120 . 1 1 15 15 LYS CD C 13 28.987 0.000 . 1 . . . . . . . . 6081 1 121 . 1 1 15 15 LYS HD2 H 1 1.728 0.004 . 1 . . . . . . . . 6081 1 122 . 1 1 15 15 LYS HE2 H 1 3.014 0.030 . 1 . . . . . . . . 6081 1 123 . 1 1 15 15 LYS C C 13 179.566 0.000 . 1 . . . . . . . . 6081 1 124 . 1 1 16 16 LEU N N 15 122.469 0.000 . 1 . . . . . . . . 6081 1 125 . 1 1 16 16 LEU H H 1 7.992 0.000 . 1 . . . . . . . . 6081 1 126 . 1 1 16 16 LEU CA C 13 58.665 0.000 . 1 . . . . . . . . 6081 1 127 . 1 1 16 16 LEU CB C 13 41.947 0.000 . 1 . . . . . . . . 6081 1 128 . 1 1 16 16 LEU C C 13 176.700 0.000 . 1 . . . . . . . . 6081 1 129 . 1 1 17 17 LEU N N 15 118.910 0.000 . 1 . . . . . . . . 6081 1 130 . 1 1 17 17 LEU H H 1 8.182 0.000 . 1 . . . . . . . . 6081 1 131 . 1 1 17 17 LEU CA C 13 58.625 0.055 . 1 . . . . . . . . 6081 1 132 . 1 1 17 17 LEU HA H 1 4.270 0.010 . 1 . . . . . . . . 6081 1 133 . 1 1 17 17 LEU CB C 13 41.849 0.097 . 1 . . . . . . . . 6081 1 134 . 1 1 17 17 LEU HB2 H 1 2.368 0.005 . 1 . . . . . . . . 6081 1 135 . 1 1 17 17 LEU HB3 H 1 1.599 0.002 . 1 . . . . . . . . 6081 1 136 . 1 1 17 17 LEU HG H 1 2.069 0.007 . 1 . . . . . . . . 6081 1 137 . 1 1 17 17 LEU HD11 H 1 0.756 0.003 . 1 . . . . . . . . 6081 1 138 . 1 1 17 17 LEU HD12 H 1 0.756 0.003 . 1 . . . . . . . . 6081 1 139 . 1 1 17 17 LEU HD13 H 1 0.756 0.003 . 1 . . . . . . . . 6081 1 140 . 1 1 17 17 LEU HD21 H 1 0.730 0.003 . 1 . . . . . . . . 6081 1 141 . 1 1 17 17 LEU HD22 H 1 0.730 0.003 . 1 . . . . . . . . 6081 1 142 . 1 1 17 17 LEU HD23 H 1 0.730 0.003 . 1 . . . . . . . . 6081 1 143 . 1 1 17 17 LEU CD1 C 13 27.894 0.000 . 1 . . . . . . . . 6081 1 144 . 1 1 17 17 LEU C C 13 178.728 0.000 . 1 . . . . . . . . 6081 1 145 . 1 1 18 18 GLU N N 15 119.928 0.000 . 1 . . . . . . . . 6081 1 146 . 1 1 18 18 GLU H H 1 9.091 0.000 . 1 . . . . . . . . 6081 1 147 . 1 1 18 18 GLU CA C 13 60.144 0.000 . 1 . . . . . . . . 6081 1 148 . 1 1 18 18 GLU HA H 1 3.743 0.007 . 1 . . . . . . . . 6081 1 149 . 1 1 18 18 GLU CB C 13 30.055 0.000 . 1 . . . . . . . . 6081 1 150 . 1 1 18 18 GLU HB2 H 1 2.047 0.008 . 1 . . . . . . . . 6081 1 151 . 1 1 18 18 GLU CG C 13 36.644 0.000 . 1 . . . . . . . . 6081 1 152 . 1 1 18 18 GLU HG2 H 1 2.345 0.004 . 1 . . . . . . . . 6081 1 153 . 1 1 18 18 GLU C C 13 178.710 0.000 . 1 . . . . . . . . 6081 1 154 . 1 1 19 19 THR N N 15 115.092 0.000 . 1 . . . . . . . . 6081 1 155 . 1 1 19 19 THR H H 1 8.380 0.000 . 1 . . . . . . . . 6081 1 156 . 1 1 19 19 THR CA C 13 66.726 0.000 . 1 . . . . . . . . 6081 1 157 . 1 1 19 19 THR HA H 1 4.333 0.027 . 1 . . . . . . . . 6081 1 158 . 1 1 19 19 THR CB C 13 69.377 0.000 . 1 . . . . . . . . 6081 1 159 . 1 1 19 19 THR HB H 1 3.844 0.003 . 1 . . . . . . . . 6081 1 160 . 1 1 19 19 THR HG21 H 1 1.317 0.016 . 1 . . . . . . . . 6081 1 161 . 1 1 19 19 THR HG22 H 1 1.317 0.016 . 1 . . . . . . . . 6081 1 162 . 1 1 19 19 THR HG23 H 1 1.317 0.016 . 1 . . . . . . . . 6081 1 163 . 1 1 19 19 THR CG2 C 13 21.581 0.000 . 1 . . . . . . . . 6081 1 164 . 1 1 19 19 THR C C 13 177.047 0.000 . 1 . . . . . . . . 6081 1 165 . 1 1 20 20 ALA N N 15 122.215 0.000 . 1 . . . . . . . . 6081 1 166 . 1 1 20 20 ALA H H 1 7.737 0.000 . 1 . . . . . . . . 6081 1 167 . 1 1 20 20 ALA CA C 13 55.074 0.000 . 1 . . . . . . . . 6081 1 168 . 1 1 20 20 ALA HA H 1 4.392 0.006 . 1 . . . . . . . . 6081 1 169 . 1 1 20 20 ALA HB1 H 1 1.598 0.004 . 1 . . . . . . . . 6081 1 170 . 1 1 20 20 ALA HB2 H 1 1.598 0.004 . 1 . . . . . . . . 6081 1 171 . 1 1 20 20 ALA HB3 H 1 1.598 0.004 . 1 . . . . . . . . 6081 1 172 . 1 1 20 20 ALA CB C 13 18.580 0.000 . 1 . . . . . . . . 6081 1 173 . 1 1 20 20 ALA C C 13 178.478 0.000 . 1 . . . . . . . . 6081 1 174 . 1 1 21 21 PHE N N 15 116.831 0.000 . 1 . . . . . . . . 6081 1 175 . 1 1 21 21 PHE H H 1 8.413 0.000 . 1 . . . . . . . . 6081 1 176 . 1 1 21 21 PHE CA C 13 62.305 0.000 . 1 . . . . . . . . 6081 1 177 . 1 1 21 21 PHE HA H 1 3.547 0.003 . 1 . . . . . . . . 6081 1 178 . 1 1 21 21 PHE CB C 13 40.432 0.000 . 1 . . . . . . . . 6081 1 179 . 1 1 21 21 PHE HB2 H 1 3.035 0.015 . 1 . . . . . . . . 6081 1 180 . 1 1 21 21 PHE CD1 C 13 132.075 0.000 . 1 . . . . . . . . 6081 1 181 . 1 1 21 21 PHE CE1 C 13 131.292 0.000 . 1 . . . . . . . . 6081 1 182 . 1 1 21 21 PHE CZ C 13 129.727 0.000 . 1 . . . . . . . . 6081 1 183 . 1 1 21 21 PHE HZ H 1 7.276 0.007 . 1 . . . . . . . . 6081 1 184 . 1 1 21 21 PHE HD1 H 1 6.488 0.002 . 1 . . . . . . . . 6081 1 185 . 1 1 21 21 PHE HE1 H 1 6.886 0.003 . 1 . . . . . . . . 6081 1 186 . 1 1 21 21 PHE C C 13 177.533 0.000 . 1 . . . . . . . . 6081 1 187 . 1 1 22 22 ARG N N 15 115.475 0.000 . 1 . . . . . . . . 6081 1 188 . 1 1 22 22 ARG H H 1 8.206 0.000 . 1 . . . . . . . . 6081 1 189 . 1 1 22 22 ARG CA C 13 58.871 0.000 . 1 . . . . . . . . 6081 1 190 . 1 1 22 22 ARG HA H 1 4.072 0.063 . 1 . . . . . . . . 6081 1 191 . 1 1 22 22 ARG CB C 13 29.560 0.000 . 1 . . . . . . . . 6081 1 192 . 1 1 22 22 ARG HB2 H 1 2.000 0.002 . 1 . . . . . . . . 6081 1 193 . 1 1 22 22 ARG CG C 13 27.838 0.000 . 1 . . . . . . . . 6081 1 194 . 1 1 22 22 ARG HG2 H 1 1.755 0.000 . 1 . . . . . . . . 6081 1 195 . 1 1 22 22 ARG CD C 13 43.453 0.000 . 1 . . . . . . . . 6081 1 196 . 1 1 22 22 ARG HD2 H 1 3.212 0.000 . 1 . . . . . . . . 6081 1 197 . 1 1 22 22 ARG NE N 15 125.022 0.000 . 1 . . . . . . . . 6081 1 198 . 1 1 22 22 ARG HE H 1 7.300 0.000 . 1 . . . . . . . . 6081 1 199 . 1 1 22 22 ARG C C 13 178.835 0.000 . 1 . . . . . . . . 6081 1 200 . 1 1 23 23 ASP N N 15 117.879 0.000 . 1 . . . . . . . . 6081 1 201 . 1 1 23 23 ASP H H 1 7.594 0.000 . 1 . . . . . . . . 6081 1 202 . 1 1 23 23 ASP CA C 13 56.400 0.000 . 1 . . . . . . . . 6081 1 203 . 1 1 23 23 ASP HA H 1 4.423 0.008 . 1 . . . . . . . . 6081 1 204 . 1 1 23 23 ASP CB C 13 40.644 0.000 . 1 . . . . . . . . 6081 1 205 . 1 1 23 23 ASP HB2 H 1 2.854 0.012 . 1 . . . . . . . . 6081 1 206 . 1 1 23 23 ASP HB3 H 1 2.323 0.010 . 1 . . . . . . . . 6081 1 207 . 1 1 23 23 ASP C C 13 177.128 0.000 . 1 . . . . . . . . 6081 1 208 . 1 1 24 24 PHE N N 15 116.541 0.000 . 1 . . . . . . . . 6081 1 209 . 1 1 24 24 PHE H H 1 7.539 0.000 . 1 . . . . . . . . 6081 1 210 . 1 1 24 24 PHE CA C 13 58.326 0.000 . 1 . . . . . . . . 6081 1 211 . 1 1 24 24 PHE HA H 1 4.383 0.035 . 1 . . . . . . . . 6081 1 212 . 1 1 24 24 PHE CB C 13 40.856 0.000 . 1 . . . . . . . . 6081 1 213 . 1 1 24 24 PHE HB2 H 1 3.083 0.010 . 1 . . . . . . . . 6081 1 214 . 1 1 24 24 PHE HB3 H 1 2.407 0.009 . 1 . . . . . . . . 6081 1 215 . 1 1 24 24 PHE CD1 C 13 132.597 0.000 . 1 . . . . . . . . 6081 1 216 . 1 1 24 24 PHE CE1 C 13 131.292 0.000 . 1 . . . . . . . . 6081 1 217 . 1 1 24 24 PHE CZ C 13 129.466 0.000 . 1 . . . . . . . . 6081 1 218 . 1 1 24 24 PHE HZ H 1 7.170 0.002 . 1 . . . . . . . . 6081 1 219 . 1 1 24 24 PHE HD1 H 1 7.503 0.003 . 1 . . . . . . . . 6081 1 220 . 1 1 24 24 PHE HE1 H 1 7.316 0.004 . 1 . . . . . . . . 6081 1 221 . 1 1 24 24 PHE C C 13 175.050 0.000 . 1 . . . . . . . . 6081 1 222 . 1 1 25 25 GLU N N 15 125.335 0.000 . 1 . . . . . . . . 6081 1 223 . 1 1 25 25 GLU H H 1 7.286 0.000 . 1 . . . . . . . . 6081 1 224 . 1 1 25 25 GLU CA C 13 57.474 0.000 . 1 . . . . . . . . 6081 1 225 . 1 1 25 25 GLU HA H 1 4.014 0.013 . 1 . . . . . . . . 6081 1 226 . 1 1 25 25 GLU CB C 13 30.549 0.000 . 1 . . . . . . . . 6081 1 227 . 1 1 25 25 GLU HB2 H 1 1.914 0.012 . 1 . . . . . . . . 6081 1 228 . 1 1 25 25 GLU HB3 H 1 2.011 0.006 . 1 . . . . . . . . 6081 1 229 . 1 1 25 25 GLU CG C 13 36.542 0.000 . 1 . . . . . . . . 6081 1 230 . 1 1 25 25 GLU HG2 H 1 2.279 0.008 . 1 . . . . . . . . 6081 1 231 . 1 1 25 25 GLU C C 13 176.281 0.000 . 1 . . . . . . . . 6081 1 232 . 1 1 26 26 THR N N 15 118.703 0.000 . 1 . . . . . . . . 6081 1 233 . 1 1 26 26 THR H H 1 8.267 0.000 . 1 . . . . . . . . 6081 1 234 . 1 1 26 26 THR CA C 13 58.802 0.000 . 1 . . . . . . . . 6081 1 235 . 1 1 26 26 THR HA H 1 4.526 0.003 . 1 . . . . . . . . 6081 1 236 . 1 1 26 26 THR CB C 13 72.412 0.000 . 1 . . . . . . . . 6081 1 237 . 1 1 26 26 THR HB H 1 4.029 0.002 . 1 . . . . . . . . 6081 1 238 . 1 1 26 26 THR HG21 H 1 1.195 0.000 . 1 . . . . . . . . 6081 1 239 . 1 1 26 26 THR HG22 H 1 1.195 0.000 . 1 . . . . . . . . 6081 1 240 . 1 1 26 26 THR HG23 H 1 1.195 0.000 . 1 . . . . . . . . 6081 1 241 . 1 1 27 27 PRO CA C 13 63.695 0.000 . 1 . . . . . . . . 6081 1 242 . 1 1 27 27 PRO HA H 1 4.914 0.002 . 1 . . . . . . . . 6081 1 243 . 1 1 27 27 PRO CB C 13 34.791 0.000 . 1 . . . . . . . . 6081 1 244 . 1 1 27 27 PRO HB2 H 1 2.525 0.005 . 1 . . . . . . . . 6081 1 245 . 1 1 27 27 PRO HB3 H 1 2.118 0.006 . 1 . . . . . . . . 6081 1 246 . 1 1 27 27 PRO HG2 H 1 1.977 0.001 . 1 . . . . . . . . 6081 1 247 . 1 1 27 27 PRO HG3 H 1 1.811 0.000 . 1 . . . . . . . . 6081 1 248 . 1 1 27 27 PRO HD2 H 1 3.507 0.001 . 1 . . . . . . . . 6081 1 249 . 1 1 27 27 PRO HD3 H 1 3.573 0.003 . 1 . . . . . . . . 6081 1 250 . 1 1 27 27 PRO C C 13 176.570 0.000 . 1 . . . . . . . . 6081 1 251 . 1 1 28 28 GLU N N 15 122.249 0.000 . 1 . . . . . . . . 6081 1 252 . 1 1 28 28 GLU H H 1 8.913 0.000 . 1 . . . . . . . . 6081 1 253 . 1 1 28 28 GLU CA C 13 58.905 0.000 . 1 . . . . . . . . 6081 1 254 . 1 1 28 28 GLU HA H 1 3.978 0.038 . 1 . . . . . . . . 6081 1 255 . 1 1 28 28 GLU CB C 13 29.491 0.000 . 1 . . . . . . . . 6081 1 256 . 1 1 28 28 GLU HB2 H 1 2.115 0.043 . 1 . . . . . . . . 6081 1 257 . 1 1 28 28 GLU HB3 H 1 2.297 0.012 . 1 . . . . . . . . 6081 1 258 . 1 1 28 28 GLU CG C 13 36.542 0.000 . 1 . . . . . . . . 6081 1 259 . 1 1 28 28 GLU HG2 H 1 2.413 0.014 . 1 . . . . . . . . 6081 1 260 . 1 1 28 28 GLU C C 13 177.889 0.000 . 1 . . . . . . . . 6081 1 261 . 1 1 29 29 GLY N N 15 113.826 0.000 . 1 . . . . . . . . 6081 1 262 . 1 1 29 29 GLY H H 1 8.606 0.000 . 1 . . . . . . . . 6081 1 263 . 1 1 29 29 GLY CA C 13 45.916 0.000 . 1 . . . . . . . . 6081 1 264 . 1 1 29 29 GLY HA2 H 1 4.170 0.000 . 1 . . . . . . . . 6081 1 265 . 1 1 29 29 GLY HA3 H 1 3.877 0.001 . 1 . . . . . . . . 6081 1 266 . 1 1 29 29 GLY C C 13 175.375 0.000 . 1 . . . . . . . . 6081 1 267 . 1 1 30 30 SER N N 15 114.920 0.000 . 1 . . . . . . . . 6081 1 268 . 1 1 30 30 SER H H 1 7.945 0.000 . 1 . . . . . . . . 6081 1 269 . 1 1 30 30 SER CA C 13 59.903 0.000 . 1 . . . . . . . . 6081 1 270 . 1 1 30 30 SER HA H 1 4.152 0.002 . 1 . . . . . . . . 6081 1 271 . 1 1 30 30 SER CB C 13 65.141 0.000 . 1 . . . . . . . . 6081 1 272 . 1 1 30 30 SER HB2 H 1 3.974 0.020 . 1 . . . . . . . . 6081 1 273 . 1 1 30 30 SER HB3 H 1 3.797 0.007 . 1 . . . . . . . . 6081 1 274 . 1 1 30 30 SER C C 13 176.480 0.000 . 1 . . . . . . . . 6081 1 275 . 1 1 31 31 GLY N N 15 113.212 0.000 . 1 . . . . . . . . 6081 1 276 . 1 1 31 31 GLY H H 1 9.636 0.000 . 1 . . . . . . . . 6081 1 277 . 1 1 31 31 GLY CA C 13 46.314 0.000 . 1 . . . . . . . . 6081 1 278 . 1 1 31 31 GLY HA2 H 1 4.270 0.000 . 1 . . . . . . . . 6081 1 279 . 1 1 31 31 GLY HA3 H 1 3.933 0.000 . 1 . . . . . . . . 6081 1 280 . 1 1 31 31 GLY C C 13 173.912 0.000 . 1 . . . . . . . . 6081 1 281 . 1 1 32 32 ARG N N 15 118.539 0.000 . 1 . . . . . . . . 6081 1 282 . 1 1 32 32 ARG H H 1 8.104 0.000 . 1 . . . . . . . . 6081 1 283 . 1 1 32 32 ARG CA C 13 54.296 0.000 . 1 . . . . . . . . 6081 1 284 . 1 1 32 32 ARG HA H 1 5.446 0.005 . 1 . . . . . . . . 6081 1 285 . 1 1 32 32 ARG CB C 13 33.796 0.000 . 1 . . . . . . . . 6081 1 286 . 1 1 32 32 ARG HB2 H 1 1.652 0.008 . 1 . . . . . . . . 6081 1 287 . 1 1 32 32 ARG HB3 H 1 1.785 0.012 . 1 . . . . . . . . 6081 1 288 . 1 1 32 32 ARG CG C 13 27.002 0.000 . 1 . . . . . . . . 6081 1 289 . 1 1 32 32 ARG HG2 H 1 1.637 0.013 . 1 . . . . . . . . 6081 1 290 . 1 1 32 32 ARG HG3 H 1 1.476 0.006 . 1 . . . . . . . . 6081 1 291 . 1 1 32 32 ARG CD C 13 42.796 0.000 . 1 . . . . . . . . 6081 1 292 . 1 1 32 32 ARG HD2 H 1 3.130 0.001 . 1 . . . . . . . . 6081 1 293 . 1 1 32 32 ARG HD3 H 1 3.167 0.005 . 1 . . . . . . . . 6081 1 294 . 1 1 32 32 ARG NE N 15 125.218 0.000 . 1 . . . . . . . . 6081 1 295 . 1 1 32 32 ARG HE H 1 7.384 0.000 . 1 . . . . . . . . 6081 1 296 . 1 1 32 32 ARG C C 13 174.108 0.000 . 1 . . . . . . . . 6081 1 297 . 1 1 33 33 VAL N N 15 114.759 0.000 . 1 . . . . . . . . 6081 1 298 . 1 1 33 33 VAL H H 1 8.306 0.000 . 1 . . . . . . . . 6081 1 299 . 1 1 33 33 VAL CA C 13 59.284 0.000 . 1 . . . . . . . . 6081 1 300 . 1 1 33 33 VAL HA H 1 4.343 0.003 . 1 . . . . . . . . 6081 1 301 . 1 1 33 33 VAL CB C 13 35.138 0.000 . 1 . . . . . . . . 6081 1 302 . 1 1 33 33 VAL HB H 1 1.508 0.003 . 1 . . . . . . . . 6081 1 303 . 1 1 33 33 VAL HG11 H 1 0.123 0.003 . 1 . . . . . . . . 6081 1 304 . 1 1 33 33 VAL HG12 H 1 0.123 0.003 . 1 . . . . . . . . 6081 1 305 . 1 1 33 33 VAL HG13 H 1 0.123 0.003 . 1 . . . . . . . . 6081 1 306 . 1 1 33 33 VAL HG21 H 1 0.115 0.003 . 1 . . . . . . . . 6081 1 307 . 1 1 33 33 VAL HG22 H 1 0.115 0.003 . 1 . . . . . . . . 6081 1 308 . 1 1 33 33 VAL HG23 H 1 0.115 0.003 . 1 . . . . . . . . 6081 1 309 . 1 1 33 33 VAL CG1 C 13 20.512 0.000 . 1 . . . . . . . . 6081 1 310 . 1 1 33 33 VAL CG2 C 13 20.227 0.000 . 1 . . . . . . . . 6081 1 311 . 1 1 33 33 VAL C C 13 174.893 0.000 . 1 . . . . . . . . 6081 1 312 . 1 1 34 34 SER N N 15 118.115 0.000 . 1 . . . . . . . . 6081 1 313 . 1 1 34 34 SER H H 1 8.810 0.000 . 1 . . . . . . . . 6081 1 314 . 1 1 34 34 SER CA C 13 57.736 0.000 . 1 . . . . . . . . 6081 1 315 . 1 1 34 34 SER HA H 1 4.888 0.008 . 1 . . . . . . . . 6081 1 316 . 1 1 34 34 SER CB C 13 64.576 0.000 . 1 . . . . . . . . 6081 1 317 . 1 1 34 34 SER HB2 H 1 4.076 0.005 . 1 . . . . . . . . 6081 1 318 . 1 1 34 34 SER HB3 H 1 3.881 0.009 . 1 . . . . . . . . 6081 1 319 . 1 1 34 34 SER C C 13 177.978 0.000 . 1 . . . . . . . . 6081 1 320 . 1 1 35 35 THR N N 15 117.953 0.000 . 1 . . . . . . . . 6081 1 321 . 1 1 35 35 THR H H 1 8.555 0.000 . 1 . . . . . . . . 6081 1 322 . 1 1 35 35 THR CA C 13 65.455 0.000 . 1 . . . . . . . . 6081 1 323 . 1 1 35 35 THR HA H 1 3.803 0.000 . 1 . . . . . . . . 6081 1 324 . 1 1 35 35 THR CB C 13 67.459 0.000 . 1 . . . . . . . . 6081 1 325 . 1 1 35 35 THR HB H 1 4.330 0.009 . 1 . . . . . . . . 6081 1 326 . 1 1 35 35 THR HG21 H 1 1.224 0.003 . 1 . . . . . . . . 6081 1 327 . 1 1 35 35 THR HG22 H 1 1.224 0.003 . 1 . . . . . . . . 6081 1 328 . 1 1 35 35 THR HG23 H 1 1.224 0.003 . 1 . . . . . . . . 6081 1 329 . 1 1 35 35 THR CG2 C 13 24.065 0.000 . 1 . . . . . . . . 6081 1 330 . 1 1 35 35 THR C C 13 177.782 0.000 . 1 . . . . . . . . 6081 1 331 . 1 1 36 36 ASP N N 15 119.400 0.000 . 1 . . . . . . . . 6081 1 332 . 1 1 36 36 ASP H H 1 8.185 0.000 . 1 . . . . . . . . 6081 1 333 . 1 1 36 36 ASP CA C 13 55.893 0.000 . 1 . . . . . . . . 6081 1 334 . 1 1 36 36 ASP HA H 1 4.490 0.005 . 1 . . . . . . . . 6081 1 335 . 1 1 36 36 ASP CB C 13 40.220 0.000 . 1 . . . . . . . . 6081 1 336 . 1 1 36 36 ASP HB2 H 1 2.749 0.003 . 1 . . . . . . . . 6081 1 337 . 1 1 36 36 ASP C C 13 177.301 0.000 . 1 . . . . . . . . 6081 1 338 . 1 1 37 37 GLN N N 15 115.611 0.000 . 1 . . . . . . . . 6081 1 339 . 1 1 37 37 GLN H H 1 7.742 0.000 . 1 . . . . . . . . 6081 1 340 . 1 1 37 37 GLN CA C 13 55.232 0.000 . 1 . . . . . . . . 6081 1 341 . 1 1 37 37 GLN HA H 1 4.551 0.005 . 1 . . . . . . . . 6081 1 342 . 1 1 37 37 GLN CB C 13 29.702 0.000 . 1 . . . . . . . . 6081 1 343 . 1 1 37 37 GLN HB2 H 1 1.928 0.012 . 1 . . . . . . . . 6081 1 344 . 1 1 37 37 GLN CG C 13 34.404 0.000 . 1 . . . . . . . . 6081 1 345 . 1 1 37 37 GLN HG2 H 1 2.308 0.003 . 1 . . . . . . . . 6081 1 346 . 1 1 37 37 GLN HG3 H 1 2.452 0.002 . 1 . . . . . . . . 6081 1 347 . 1 1 37 37 GLN NE2 N 15 111.499 0.004 . 1 . . . . . . . . 6081 1 348 . 1 1 37 37 GLN HE21 H 1 7.340 0.000 . 1 . . . . . . . . 6081 1 349 . 1 1 37 37 GLN HE22 H 1 6.775 0.000 . 1 . . . . . . . . 6081 1 350 . 1 1 37 37 GLN C C 13 176.258 0.000 . 1 . . . . . . . . 6081 1 351 . 1 1 38 38 ILE N N 15 118.834 0.000 . 1 . . . . . . . . 6081 1 352 . 1 1 38 38 ILE H H 1 7.212 0.000 . 1 . . . . . . . . 6081 1 353 . 1 1 38 38 ILE CA C 13 65.526 0.000 . 1 . . . . . . . . 6081 1 354 . 1 1 38 38 ILE HA H 1 3.470 0.004 . 1 . . . . . . . . 6081 1 355 . 1 1 38 38 ILE CB C 13 37.820 0.000 . 1 . . . . . . . . 6081 1 356 . 1 1 38 38 ILE HB H 1 1.825 0.009 . 1 . . . . . . . . 6081 1 357 . 1 1 38 38 ILE HG21 H 1 0.889 0.009 . 1 . . . . . . . . 6081 1 358 . 1 1 38 38 ILE HG22 H 1 0.889 0.009 . 1 . . . . . . . . 6081 1 359 . 1 1 38 38 ILE HG23 H 1 0.889 0.009 . 1 . . . . . . . . 6081 1 360 . 1 1 38 38 ILE CG2 C 13 17.503 0.000 . 1 . . . . . . . . 6081 1 361 . 1 1 38 38 ILE CG1 C 13 28.987 0.000 . 1 . . . . . . . . 6081 1 362 . 1 1 38 38 ILE HG12 H 1 1.719 0.006 . 1 . . . . . . . . 6081 1 363 . 1 1 38 38 ILE HG13 H 1 1.089 0.008 . 1 . . . . . . . . 6081 1 364 . 1 1 38 38 ILE HD11 H 1 0.873 0.006 . 1 . . . . . . . . 6081 1 365 . 1 1 38 38 ILE HD12 H 1 0.873 0.006 . 1 . . . . . . . . 6081 1 366 . 1 1 38 38 ILE HD13 H 1 0.873 0.006 . 1 . . . . . . . . 6081 1 367 . 1 1 38 38 ILE CD1 C 13 13.128 0.000 . 1 . . . . . . . . 6081 1 368 . 1 1 38 38 ILE C C 13 176.463 0.000 . 1 . . . . . . . . 6081 1 369 . 1 1 39 39 GLY N N 15 105.570 0.000 . 1 . . . . . . . . 6081 1 370 . 1 1 39 39 GLY H H 1 8.738 0.000 . 1 . . . . . . . . 6081 1 371 . 1 1 39 39 GLY CA C 13 47.369 0.000 . 1 . . . . . . . . 6081 1 372 . 1 1 39 39 GLY HA2 H 1 3.870 0.000 . 1 . . . . . . . . 6081 1 373 . 1 1 39 39 GLY HA3 H 1 3.690 0.000 . 1 . . . . . . . . 6081 1 374 . 1 1 39 39 GLY C C 13 176.229 0.000 . 1 . . . . . . . . 6081 1 375 . 1 1 40 40 ILE N N 15 122.100 0.000 . 1 . . . . . . . . 6081 1 376 . 1 1 40 40 ILE H H 1 7.293 0.000 . 1 . . . . . . . . 6081 1 377 . 1 1 40 40 ILE CA C 13 63.568 0.000 . 1 . . . . . . . . 6081 1 378 . 1 1 40 40 ILE HA H 1 3.878 0.005 . 1 . . . . . . . . 6081 1 379 . 1 1 40 40 ILE CB C 13 37.820 0.000 . 1 . . . . . . . . 6081 1 380 . 1 1 40 40 ILE HB H 1 1.822 0.005 . 1 . . . . . . . . 6081 1 381 . 1 1 40 40 ILE HG21 H 1 0.937 0.005 . 1 . . . . . . . . 6081 1 382 . 1 1 40 40 ILE HG22 H 1 0.937 0.005 . 1 . . . . . . . . 6081 1 383 . 1 1 40 40 ILE HG23 H 1 0.937 0.005 . 1 . . . . . . . . 6081 1 384 . 1 1 40 40 ILE CG2 C 13 18.050 0.000 . 1 . . . . . . . . 6081 1 385 . 1 1 40 40 ILE CG1 C 13 28.987 0.000 . 1 . . . . . . . . 6081 1 386 . 1 1 40 40 ILE HG12 H 1 1.258 0.004 . 1 . . . . . . . . 6081 1 387 . 1 1 40 40 ILE HG13 H 1 1.574 0.003 . 1 . . . . . . . . 6081 1 388 . 1 1 40 40 ILE HD11 H 1 0.945 0.007 . 1 . . . . . . . . 6081 1 389 . 1 1 40 40 ILE HD12 H 1 0.945 0.007 . 1 . . . . . . . . 6081 1 390 . 1 1 40 40 ILE HD13 H 1 0.945 0.007 . 1 . . . . . . . . 6081 1 391 . 1 1 40 40 ILE CD1 C 13 13.128 0.000 . 1 . . . . . . . . 6081 1 392 . 1 1 40 40 ILE C C 13 177.711 0.000 . 1 . . . . . . . . 6081 1 393 . 1 1 41 41 ILE N N 15 121.109 0.000 . 1 . . . . . . . . 6081 1 394 . 1 1 41 41 ILE H H 1 7.706 0.000 . 1 . . . . . . . . 6081 1 395 . 1 1 41 41 ILE CA C 13 65.558 0.000 . 1 . . . . . . . . 6081 1 396 . 1 1 41 41 ILE HA H 1 3.163 0.003 . 1 . . . . . . . . 6081 1 397 . 1 1 41 41 ILE CB C 13 37.538 0.000 . 1 . . . . . . . . 6081 1 398 . 1 1 41 41 ILE HB H 1 1.397 0.003 . 1 . . . . . . . . 6081 1 399 . 1 1 41 41 ILE HG21 H 1 0.688 0.003 . 1 . . . . . . . . 6081 1 400 . 1 1 41 41 ILE HG22 H 1 0.688 0.003 . 1 . . . . . . . . 6081 1 401 . 1 1 41 41 ILE HG23 H 1 0.688 0.003 . 1 . . . . . . . . 6081 1 402 . 1 1 41 41 ILE CG2 C 13 18.596 0.000 . 1 . . . . . . . . 6081 1 403 . 1 1 41 41 ILE CG1 C 13 27.347 0.000 . 1 . . . . . . . . 6081 1 404 . 1 1 41 41 ILE HG12 H 1 -0.401 0.009 . 1 . . . . . . . . 6081 1 405 . 1 1 41 41 ILE HG13 H 1 1.028 0.003 . 1 . . . . . . . . 6081 1 406 . 1 1 41 41 ILE HD11 H 1 0.180 0.002 . 1 . . . . . . . . 6081 1 407 . 1 1 41 41 ILE HD12 H 1 0.180 0.002 . 1 . . . . . . . . 6081 1 408 . 1 1 41 41 ILE HD13 H 1 0.180 0.002 . 1 . . . . . . . . 6081 1 409 . 1 1 41 41 ILE CD1 C 13 14.768 0.000 . 1 . . . . . . . . 6081 1 410 . 1 1 41 41 ILE C C 13 177.978 0.000 . 1 . . . . . . . . 6081 1 411 . 1 1 42 42 LEU N N 15 117.028 0.000 . 1 . . . . . . . . 6081 1 412 . 1 1 42 42 LEU H H 1 7.956 0.000 . 1 . . . . . . . . 6081 1 413 . 1 1 42 42 LEU CA C 13 58.355 0.000 . 1 . . . . . . . . 6081 1 414 . 1 1 42 42 LEU HA H 1 3.880 0.011 . 1 . . . . . . . . 6081 1 415 . 1 1 42 42 LEU CB C 13 39.514 0.000 . 1 . . . . . . . . 6081 1 416 . 1 1 42 42 LEU HB2 H 1 1.795 0.007 . 1 . . . . . . . . 6081 1 417 . 1 1 42 42 LEU HB3 H 1 1.457 0.004 . 1 . . . . . . . . 6081 1 418 . 1 1 42 42 LEU HG H 1 1.975 0.002 . 1 . . . . . . . . 6081 1 419 . 1 1 42 42 LEU HD11 H 1 0.659 0.006 . 1 . . . . . . . . 6081 1 420 . 1 1 42 42 LEU HD12 H 1 0.659 0.006 . 1 . . . . . . . . 6081 1 421 . 1 1 42 42 LEU HD13 H 1 0.659 0.006 . 1 . . . . . . . . 6081 1 422 . 1 1 42 42 LEU HD21 H 1 0.552 0.003 . 1 . . . . . . . . 6081 1 423 . 1 1 42 42 LEU HD22 H 1 0.552 0.003 . 1 . . . . . . . . 6081 1 424 . 1 1 42 42 LEU HD23 H 1 0.552 0.003 . 1 . . . . . . . . 6081 1 425 . 1 1 42 42 LEU CD1 C 13 21.848 0.000 . 1 . . . . . . . . 6081 1 426 . 1 1 42 42 LEU CD2 C 13 25.321 0.000 . 1 . . . . . . . . 6081 1 427 . 1 1 42 42 LEU C C 13 178.977 0.000 . 1 . . . . . . . . 6081 1 428 . 1 1 43 43 GLU N N 15 118.807 0.000 . 1 . . . . . . . . 6081 1 429 . 1 1 43 43 GLU H H 1 7.667 0.000 . 1 . . . . . . . . 6081 1 430 . 1 1 43 43 GLU CA C 13 60.340 0.000 . 1 . . . . . . . . 6081 1 431 . 1 1 43 43 GLU HA H 1 3.927 0.002 . 1 . . . . . . . . 6081 1 432 . 1 1 43 43 GLU CB C 13 29.066 0.000 . 1 . . . . . . . . 6081 1 433 . 1 1 43 43 GLU HB2 H 1 2.213 0.003 . 1 . . . . . . . . 6081 1 434 . 1 1 43 43 GLU HG2 H 1 2.429 0.000 . 1 . . . . . . . . 6081 1 435 . 1 1 43 43 GLU C C 13 181.171 0.000 . 1 . . . . . . . . 6081 1 436 . 1 1 44 44 VAL N N 15 123.357 0.000 . 1 . . . . . . . . 6081 1 437 . 1 1 44 44 VAL H H 1 8.394 0.000 . 1 . . . . . . . . 6081 1 438 . 1 1 44 44 VAL CA C 13 66.569 0.000 . 1 . . . . . . . . 6081 1 439 . 1 1 44 44 VAL HA H 1 3.845 0.003 . 1 . . . . . . . . 6081 1 440 . 1 1 44 44 VAL CB C 13 31.114 0.000 . 1 . . . . . . . . 6081 1 441 . 1 1 44 44 VAL HB H 1 2.506 0.005 . 1 . . . . . . . . 6081 1 442 . 1 1 44 44 VAL HG11 H 1 1.137 0.004 . 1 . . . . . . . . 6081 1 443 . 1 1 44 44 VAL HG12 H 1 1.137 0.004 . 1 . . . . . . . . 6081 1 444 . 1 1 44 44 VAL HG13 H 1 1.137 0.004 . 1 . . . . . . . . 6081 1 445 . 1 1 44 44 VAL HG21 H 1 1.285 0.003 . 1 . . . . . . . . 6081 1 446 . 1 1 44 44 VAL HG22 H 1 1.285 0.003 . 1 . . . . . . . . 6081 1 447 . 1 1 44 44 VAL HG23 H 1 1.285 0.003 . 1 . . . . . . . . 6081 1 448 . 1 1 44 44 VAL CG1 C 13 21.046 0.000 . 1 . . . . . . . . 6081 1 449 . 1 1 44 44 VAL CG2 C 13 23.183 0.000 . 1 . . . . . . . . 6081 1 450 . 1 1 44 44 VAL C C 13 178.498 0.000 . 1 . . . . . . . . 6081 1 451 . 1 1 45 45 LEU N N 15 118.643 0.000 . 1 . . . . . . . . 6081 1 452 . 1 1 45 45 LEU H H 1 7.599 0.000 . 1 . . . . . . . . 6081 1 453 . 1 1 45 45 LEU CA C 13 55.200 0.000 . 1 . . . . . . . . 6081 1 454 . 1 1 45 45 LEU HA H 1 4.295 0.007 . 1 . . . . . . . . 6081 1 455 . 1 1 45 45 LEU CB C 13 43.754 0.000 . 1 . . . . . . . . 6081 1 456 . 1 1 45 45 LEU HB2 H 1 1.972 0.004 . 1 . . . . . . . . 6081 1 457 . 1 1 45 45 LEU HB3 H 1 1.638 0.004 . 1 . . . . . . . . 6081 1 458 . 1 1 45 45 LEU HD11 H 1 0.952 0.000 . 1 . . . . . . . . 6081 1 459 . 1 1 45 45 LEU HD12 H 1 0.952 0.000 . 1 . . . . . . . . 6081 1 460 . 1 1 45 45 LEU HD13 H 1 0.952 0.000 . 1 . . . . . . . . 6081 1 461 . 1 1 45 45 LEU HD21 H 1 0.878 0.000 . 1 . . . . . . . . 6081 1 462 . 1 1 45 45 LEU HD22 H 1 0.878 0.000 . 1 . . . . . . . . 6081 1 463 . 1 1 45 45 LEU HD23 H 1 0.878 0.000 . 1 . . . . . . . . 6081 1 464 . 1 1 45 45 LEU C C 13 176.391 0.000 . 1 . . . . . . . . 6081 1 465 . 1 1 46 46 GLY N N 15 107.593 0.000 . 1 . . . . . . . . 6081 1 466 . 1 1 46 46 GLY H H 1 7.954 0.000 . 1 . . . . . . . . 6081 1 467 . 1 1 46 46 GLY CA C 13 45.901 0.000 . 1 . . . . . . . . 6081 1 468 . 1 1 46 46 GLY HA2 H 1 4.200 0.000 . 1 . . . . . . . . 6081 1 469 . 1 1 46 46 GLY HA3 H 1 3.900 0.000 . 1 . . . . . . . . 6081 1 470 . 1 1 46 46 GLY C C 13 174.872 0.000 . 1 . . . . . . . . 6081 1 471 . 1 1 47 47 ILE N N 15 117.183 0.000 . 1 . . . . . . . . 6081 1 472 . 1 1 47 47 ILE H H 1 8.074 0.000 . 1 . . . . . . . . 6081 1 473 . 1 1 47 47 ILE CA C 13 59.146 0.000 . 1 . . . . . . . . 6081 1 474 . 1 1 47 47 ILE HA H 1 4.486 0.004 . 1 . . . . . . . . 6081 1 475 . 1 1 47 47 ILE CB C 13 37.679 0.000 . 1 . . . . . . . . 6081 1 476 . 1 1 47 47 ILE HB H 1 1.814 0.011 . 1 . . . . . . . . 6081 1 477 . 1 1 47 47 ILE HG21 H 1 0.755 0.006 . 1 . . . . . . . . 6081 1 478 . 1 1 47 47 ILE HG22 H 1 0.755 0.006 . 1 . . . . . . . . 6081 1 479 . 1 1 47 47 ILE HG23 H 1 0.755 0.006 . 1 . . . . . . . . 6081 1 480 . 1 1 47 47 ILE CG2 C 13 18.596 0.000 . 1 . . . . . . . . 6081 1 481 . 1 1 47 47 ILE CG1 C 13 26.253 0.000 . 1 . . . . . . . . 6081 1 482 . 1 1 47 47 ILE HG12 H 1 1.558 0.006 . 1 . . . . . . . . 6081 1 483 . 1 1 47 47 ILE HG13 H 1 0.881 0.013 . 1 . . . . . . . . 6081 1 484 . 1 1 47 47 ILE HD11 H 1 0.803 0.003 . 1 . . . . . . . . 6081 1 485 . 1 1 47 47 ILE HD12 H 1 0.803 0.003 . 1 . . . . . . . . 6081 1 486 . 1 1 47 47 ILE HD13 H 1 0.803 0.003 . 1 . . . . . . . . 6081 1 487 . 1 1 47 47 ILE CD1 C 13 14.221 0.000 . 1 . . . . . . . . 6081 1 488 . 1 1 47 47 ILE C C 13 174.251 0.000 . 1 . . . . . . . . 6081 1 489 . 1 1 48 48 GLN N N 15 121.339 0.000 . 1 . . . . . . . . 6081 1 490 . 1 1 48 48 GLN H H 1 8.031 0.000 . 1 . . . . . . . . 6081 1 491 . 1 1 48 48 GLN CA C 13 56.256 0.000 . 1 . . . . . . . . 6081 1 492 . 1 1 48 48 GLN HA H 1 3.984 0.003 . 1 . . . . . . . . 6081 1 493 . 1 1 48 48 GLN CB C 13 28.996 0.000 . 1 . . . . . . . . 6081 1 494 . 1 1 48 48 GLN HB2 H 1 1.889 0.000 . 1 . . . . . . . . 6081 1 495 . 1 1 48 48 GLN HB3 H 1 2.230 0.000 . 1 . . . . . . . . 6081 1 496 . 1 1 48 48 GLN NE2 N 15 116.064 0.000 . 1 . . . . . . . . 6081 1 497 . 1 1 48 48 GLN HE21 H 1 6.351 0.000 . 1 . . . . . . . . 6081 1 498 . 1 1 48 48 GLN HE22 H 1 6.565 0.000 . 1 . . . . . . . . 6081 1 499 . 1 1 48 48 GLN C C 13 175.241 0.000 . 1 . . . . . . . . 6081 1 500 . 1 1 49 49 GLN N N 15 120.862 0.000 . 1 . . . . . . . . 6081 1 501 . 1 1 49 49 GLN H H 1 8.329 0.000 . 1 . . . . . . . . 6081 1 502 . 1 1 49 49 GLN CA C 13 52.074 0.000 . 1 . . . . . . . . 6081 1 503 . 1 1 49 49 GLN CB C 13 32.031 0.000 . 1 . . . . . . . . 6081 1 504 . 1 1 49 49 GLN C C 13 175.214 0.000 . 1 . . . . . . . . 6081 1 505 . 1 1 50 50 THR N N 15 110.778 0.000 . 1 . . . . . . . . 6081 1 506 . 1 1 50 50 THR H H 1 8.654 0.000 . 1 . . . . . . . . 6081 1 507 . 1 1 50 50 THR CA C 13 60.979 0.000 . 1 . . . . . . . . 6081 1 508 . 1 1 50 50 THR HA H 1 4.288 0.003 . 1 . . . . . . . . 6081 1 509 . 1 1 50 50 THR CB C 13 71.353 0.000 . 1 . . . . . . . . 6081 1 510 . 1 1 50 50 THR HB H 1 4.732 0.000 . 1 . . . . . . . . 6081 1 511 . 1 1 50 50 THR HG21 H 1 1.304 0.019 . 1 . . . . . . . . 6081 1 512 . 1 1 50 50 THR HG22 H 1 1.304 0.019 . 1 . . . . . . . . 6081 1 513 . 1 1 50 50 THR HG23 H 1 1.304 0.019 . 1 . . . . . . . . 6081 1 514 . 1 1 50 50 THR C C 13 175.339 0.000 . 1 . . . . . . . . 6081 1 515 . 1 1 51 51 LYS N N 15 120.163 0.000 . 1 . . . . . . . . 6081 1 516 . 1 1 51 51 LYS H H 1 8.794 0.000 . 1 . . . . . . . . 6081 1 517 . 1 1 51 51 LYS CA C 13 60.041 0.000 . 1 . . . . . . . . 6081 1 518 . 1 1 51 51 LYS HA H 1 3.946 0.001 . 1 . . . . . . . . 6081 1 519 . 1 1 51 51 LYS CB C 13 31.961 0.000 . 1 . . . . . . . . 6081 1 520 . 1 1 51 51 LYS HB2 H 1 1.897 0.002 . 1 . . . . . . . . 6081 1 521 . 1 1 51 51 LYS HG2 H 1 1.500 0.006 . 1 . . . . . . . . 6081 1 522 . 1 1 51 51 LYS HD2 H 1 1.637 0.002 . 1 . . . . . . . . 6081 1 523 . 1 1 51 51 LYS C C 13 179.614 0.000 . 1 . . . . . . . . 6081 1 524 . 1 1 52 52 SER N N 15 113.762 0.000 . 1 . . . . . . . . 6081 1 525 . 1 1 52 52 SER H H 1 8.335 0.000 . 1 . . . . . . . . 6081 1 526 . 1 1 52 52 SER CA C 13 61.254 0.000 . 1 . . . . . . . . 6081 1 527 . 1 1 52 52 SER HA H 1 4.218 0.002 . 1 . . . . . . . . 6081 1 528 . 1 1 52 52 SER CB C 13 62.444 0.000 . 1 . . . . . . . . 6081 1 529 . 1 1 52 52 SER HB2 H 1 3.871 0.000 . 1 . . . . . . . . 6081 1 530 . 1 1 52 52 SER HB3 H 1 3.926 0.000 . 1 . . . . . . . . 6081 1 531 . 1 1 52 52 SER C C 13 175.854 0.000 . 1 . . . . . . . . 6081 1 532 . 1 1 53 53 THR N N 15 122.427 0.000 . 1 . . . . . . . . 6081 1 533 . 1 1 53 53 THR H H 1 7.740 0.000 . 1 . . . . . . . . 6081 1 534 . 1 1 53 53 THR CA C 13 66.474 0.000 . 1 . . . . . . . . 6081 1 535 . 1 1 53 53 THR HA H 1 4.021 0.003 . 1 . . . . . . . . 6081 1 536 . 1 1 53 53 THR CB C 13 68.459 0.000 . 1 . . . . . . . . 6081 1 537 . 1 1 53 53 THR HB H 1 4.340 0.010 . 1 . . . . . . . . 6081 1 538 . 1 1 53 53 THR HG21 H 1 1.245 0.006 . 1 . . . . . . . . 6081 1 539 . 1 1 53 53 THR HG22 H 1 1.245 0.006 . 1 . . . . . . . . 6081 1 540 . 1 1 53 53 THR HG23 H 1 1.245 0.006 . 1 . . . . . . . . 6081 1 541 . 1 1 53 53 THR CG2 C 13 21.313 0.000 . 1 . . . . . . . . 6081 1 542 . 1 1 53 53 THR C C 13 176.302 0.000 . 1 . . . . . . . . 6081 1 543 . 1 1 54 54 ILE N N 15 121.558 0.000 . 1 . . . . . . . . 6081 1 544 . 1 1 54 54 ILE H H 1 8.259 0.000 . 1 . . . . . . . . 6081 1 545 . 1 1 54 54 ILE CA C 13 65.141 0.000 . 1 . . . . . . . . 6081 1 546 . 1 1 54 54 ILE HA H 1 3.529 0.003 . 1 . . . . . . . . 6081 1 547 . 1 1 54 54 ILE CB C 13 36.549 0.000 . 1 . . . . . . . . 6081 1 548 . 1 1 54 54 ILE HB H 1 1.977 0.003 . 1 . . . . . . . . 6081 1 549 . 1 1 54 54 ILE HG21 H 1 0.921 0.003 . 1 . . . . . . . . 6081 1 550 . 1 1 54 54 ILE HG22 H 1 0.921 0.003 . 1 . . . . . . . . 6081 1 551 . 1 1 54 54 ILE HG23 H 1 0.921 0.003 . 1 . . . . . . . . 6081 1 552 . 1 1 54 54 ILE CG2 C 13 17.870 0.000 . 1 . . . . . . . . 6081 1 553 . 1 1 54 54 ILE CG1 C 13 28.987 0.000 . 1 . . . . . . . . 6081 1 554 . 1 1 54 54 ILE HG12 H 1 1.474 0.002 . 1 . . . . . . . . 6081 1 555 . 1 1 54 54 ILE HG13 H 1 1.068 0.006 . 1 . . . . . . . . 6081 1 556 . 1 1 54 54 ILE HD11 H 1 0.706 0.001 . 1 . . . . . . . . 6081 1 557 . 1 1 54 54 ILE HD12 H 1 0.706 0.001 . 1 . . . . . . . . 6081 1 558 . 1 1 54 54 ILE HD13 H 1 0.706 0.001 . 1 . . . . . . . . 6081 1 559 . 1 1 54 54 ILE CD1 C 13 12.581 0.000 . 1 . . . . . . . . 6081 1 560 . 1 1 54 54 ILE C C 13 177.265 0.000 . 1 . . . . . . . . 6081 1 561 . 1 1 55 55 ARG N N 15 118.881 0.000 . 1 . . . . . . . . 6081 1 562 . 1 1 55 55 ARG H H 1 8.066 0.000 . 1 . . . . . . . . 6081 1 563 . 1 1 55 55 ARG CA C 13 59.450 0.000 . 1 . . . . . . . . 6081 1 564 . 1 1 55 55 ARG CB C 13 29.649 0.000 . 1 . . . . . . . . 6081 1 565 . 1 1 55 55 ARG CG C 13 27.510 0.000 . 1 . . . . . . . . 6081 1 566 . 1 1 55 55 ARG CD C 13 43.363 0.000 . 1 . . . . . . . . 6081 1 567 . 1 1 55 55 ARG NE N 15 124.193 0.000 . 1 . . . . . . . . 6081 1 568 . 1 1 55 55 ARG HE H 1 7.383 0.000 . 1 . . . . . . . . 6081 1 569 . 1 1 55 55 ARG C C 13 178.531 0.000 . 1 . . . . . . . . 6081 1 570 . 1 1 56 56 GLN N N 15 117.794 0.000 . 1 . . . . . . . . 6081 1 571 . 1 1 56 56 GLN H H 1 7.614 0.000 . 1 . . . . . . . . 6081 1 572 . 1 1 56 56 GLN CA C 13 59.179 0.000 . 1 . . . . . . . . 6081 1 573 . 1 1 56 56 GLN HA H 1 4.174 0.004 . 1 . . . . . . . . 6081 1 574 . 1 1 56 56 GLN CB C 13 28.260 0.000 . 1 . . . . . . . . 6081 1 575 . 1 1 56 56 GLN HB2 H 1 2.166 0.003 . 1 . . . . . . . . 6081 1 576 . 1 1 56 56 GLN HB3 H 1 2.317 0.050 . 1 . . . . . . . . 6081 1 577 . 1 1 56 56 GLN CG C 13 34.404 0.000 . 1 . . . . . . . . 6081 1 578 . 1 1 56 56 GLN HG2 H 1 2.461 0.007 . 1 . . . . . . . . 6081 1 579 . 1 1 56 56 GLN HG3 H 1 2.609 0.003 . 1 . . . . . . . . 6081 1 580 . 1 1 56 56 GLN NE2 N 15 112.492 0.000 . 1 . . . . . . . . 6081 1 581 . 1 1 56 56 GLN HE21 H 1 6.965 0.000 . 1 . . . . . . . . 6081 1 582 . 1 1 56 56 GLN HE22 H 1 7.568 0.000 . 1 . . . . . . . . 6081 1 583 . 1 1 56 56 GLN C C 13 179.456 0.000 . 1 . . . . . . . . 6081 1 584 . 1 1 57 57 LEU N N 15 121.028 0.000 . 1 . . . . . . . . 6081 1 585 . 1 1 57 57 LEU H H 1 8.319 0.000 . 1 . . . . . . . . 6081 1 586 . 1 1 57 57 LEU CA C 13 58.276 0.000 . 1 . . . . . . . . 6081 1 587 . 1 1 57 57 LEU HA H 1 4.407 0.019 . 1 . . . . . . . . 6081 1 588 . 1 1 57 57 LEU CB C 13 42.781 0.000 . 1 . . . . . . . . 6081 1 589 . 1 1 57 57 LEU HB2 H 1 2.405 0.005 . 1 . . . . . . . . 6081 1 590 . 1 1 57 57 LEU HB3 H 1 1.443 0.003 . 1 . . . . . . . . 6081 1 591 . 1 1 57 57 LEU CG C 13 26.250 0.000 . 1 . . . . . . . . 6081 1 592 . 1 1 57 57 LEU HG H 1 2.250 0.001 . 1 . . . . . . . . 6081 1 593 . 1 1 57 57 LEU HD11 H 1 1.116 0.003 . 1 . . . . . . . . 6081 1 594 . 1 1 57 57 LEU HD12 H 1 1.116 0.003 . 1 . . . . . . . . 6081 1 595 . 1 1 57 57 LEU HD13 H 1 1.116 0.003 . 1 . . . . . . . . 6081 1 596 . 1 1 57 57 LEU HD21 H 1 0.905 0.001 . 1 . . . . . . . . 6081 1 597 . 1 1 57 57 LEU HD22 H 1 0.905 0.001 . 1 . . . . . . . . 6081 1 598 . 1 1 57 57 LEU HD23 H 1 0.905 0.001 . 1 . . . . . . . . 6081 1 599 . 1 1 57 57 LEU CD1 C 13 23.518 0.000 . 1 . . . . . . . . 6081 1 600 . 1 1 57 57 LEU C C 13 179.161 0.000 . 1 . . . . . . . . 6081 1 601 . 1 1 58 58 ILE N N 15 121.229 0.000 . 1 . . . . . . . . 6081 1 602 . 1 1 58 58 ILE H H 1 8.406 0.000 . 1 . . . . . . . . 6081 1 603 . 1 1 58 58 ILE CA C 13 66.695 0.000 . 1 . . . . . . . . 6081 1 604 . 1 1 58 58 ILE HA H 1 3.468 0.006 . 1 . . . . . . . . 6081 1 605 . 1 1 58 58 ILE CB C 13 37.608 0.000 . 1 . . . . . . . . 6081 1 606 . 1 1 58 58 ILE HB H 1 1.974 0.009 . 1 . . . . . . . . 6081 1 607 . 1 1 58 58 ILE HG21 H 1 1.047 0.000 . 1 . . . . . . . . 6081 1 608 . 1 1 58 58 ILE HG22 H 1 1.047 0.000 . 1 . . . . . . . . 6081 1 609 . 1 1 58 58 ILE HG23 H 1 1.047 0.000 . 1 . . . . . . . . 6081 1 610 . 1 1 58 58 ILE CG2 C 13 18.050 0.000 . 1 . . . . . . . . 6081 1 611 . 1 1 58 58 ILE HD11 H 1 0.878 0.003 . 1 . . . . . . . . 6081 1 612 . 1 1 58 58 ILE HD12 H 1 0.878 0.003 . 1 . . . . . . . . 6081 1 613 . 1 1 58 58 ILE HD13 H 1 0.878 0.003 . 1 . . . . . . . . 6081 1 614 . 1 1 58 58 ILE CD1 C 13 14.221 0.000 . 1 . . . . . . . . 6081 1 615 . 1 1 58 58 ILE C C 13 177.426 0.000 . 1 . . . . . . . . 6081 1 616 . 1 1 59 59 ASP N N 15 118.524 0.000 . 1 . . . . . . . . 6081 1 617 . 1 1 59 59 ASP H H 1 7.866 0.000 . 1 . . . . . . . . 6081 1 618 . 1 1 59 59 ASP CA C 13 57.289 0.000 . 1 . . . . . . . . 6081 1 619 . 1 1 59 59 ASP HA H 1 4.216 0.004 . 1 . . . . . . . . 6081 1 620 . 1 1 59 59 ASP CB C 13 40.291 0.000 . 1 . . . . . . . . 6081 1 621 . 1 1 59 59 ASP HB2 H 1 2.712 0.003 . 1 . . . . . . . . 6081 1 622 . 1 1 59 59 ASP HB3 H 1 2.619 0.005 . 1 . . . . . . . . 6081 1 623 . 1 1 59 59 ASP C C 13 177.479 0.000 . 1 . . . . . . . . 6081 1 624 . 1 1 60 60 GLU N N 15 118.291 0.000 . 1 . . . . . . . . 6081 1 625 . 1 1 60 60 GLU H H 1 7.751 0.000 . 1 . . . . . . . . 6081 1 626 . 1 1 60 60 GLU CA C 13 58.630 0.000 . 1 . . . . . . . . 6081 1 627 . 1 1 60 60 GLU HA H 1 3.799 0.008 . 1 . . . . . . . . 6081 1 628 . 1 1 60 60 GLU CB C 13 29.843 0.000 . 1 . . . . . . . . 6081 1 629 . 1 1 60 60 GLU HB2 H 1 1.877 0.010 . 1 . . . . . . . . 6081 1 630 . 1 1 60 60 GLU CG C 13 34.456 0.000 . 1 . . . . . . . . 6081 1 631 . 1 1 60 60 GLU HG2 H 1 0.700 0.006 . 1 . . . . . . . . 6081 1 632 . 1 1 60 60 GLU HG3 H 1 1.808 0.003 . 1 . . . . . . . . 6081 1 633 . 1 1 60 60 GLU C C 13 178.157 0.000 . 1 . . . . . . . . 6081 1 634 . 1 1 61 61 PHE N N 15 113.504 0.000 . 1 . . . . . . . . 6081 1 635 . 1 1 61 61 PHE H H 1 8.408 0.000 . 1 . . . . . . . . 6081 1 636 . 1 1 61 61 PHE CA C 13 60.284 0.000 . 1 . . . . . . . . 6081 1 637 . 1 1 61 61 PHE HA H 1 4.549 0.005 . 1 . . . . . . . . 6081 1 638 . 1 1 61 61 PHE CB C 13 39.726 0.000 . 1 . . . . . . . . 6081 1 639 . 1 1 61 61 PHE HB2 H 1 3.300 0.006 . 1 . . . . . . . . 6081 1 640 . 1 1 61 61 PHE HB3 H 1 2.741 0.004 . 1 . . . . . . . . 6081 1 641 . 1 1 61 61 PHE CE1 C 13 129.727 0.000 . 1 . . . . . . . . 6081 1 642 . 1 1 61 61 PHE CZ C 13 131.292 0.000 . 1 . . . . . . . . 6081 1 643 . 1 1 61 61 PHE HZ H 1 7.586 0.001 . 1 . . . . . . . . 6081 1 644 . 1 1 61 61 PHE HD1 H 1 7.217 0.002 . 1 . . . . . . . . 6081 1 645 . 1 1 61 61 PHE HE1 H 1 7.051 0.003 . 1 . . . . . . . . 6081 1 646 . 1 1 61 61 PHE C C 13 175.214 0.000 . 1 . . . . . . . . 6081 1 647 . 1 1 62 62 ASP N N 15 120.630 0.000 . 1 . . . . . . . . 6081 1 648 . 1 1 62 62 ASP H H 1 8.743 0.000 . 1 . . . . . . . . 6081 1 649 . 1 1 62 62 ASP CA C 13 52.642 0.000 . 1 . . . . . . . . 6081 1 650 . 1 1 62 62 ASP HA H 1 5.417 0.004 . 1 . . . . . . . . 6081 1 651 . 1 1 62 62 ASP CB C 13 41.068 0.000 . 1 . . . . . . . . 6081 1 652 . 1 1 62 62 ASP HB2 H 1 3.042 0.002 . 1 . . . . . . . . 6081 1 653 . 1 1 62 62 ASP HB3 H 1 2.321 0.007 . 1 . . . . . . . . 6081 1 654 . 1 1 63 63 PRO CA C 13 65.085 0.000 . 1 . . . . . . . . 6081 1 655 . 1 1 63 63 PRO HA H 1 4.333 0.000 . 1 . . . . . . . . 6081 1 656 . 1 1 63 63 PRO CB C 13 31.456 0.000 . 1 . . . . . . . . 6081 1 657 . 1 1 63 63 PRO C C 13 178.371 0.000 . 1 . . . . . . . . 6081 1 658 . 1 1 64 64 PHE N N 15 116.373 0.000 . 1 . . . . . . . . 6081 1 659 . 1 1 64 64 PHE H H 1 8.815 0.000 . 1 . . . . . . . . 6081 1 660 . 1 1 64 64 PHE CA C 13 56.876 0.000 . 1 . . . . . . . . 6081 1 661 . 1 1 64 64 PHE HA H 1 4.667 0.140 . 1 . . . . . . . . 6081 1 662 . 1 1 64 64 PHE CB C 13 37.891 0.000 . 1 . . . . . . . . 6081 1 663 . 1 1 64 64 PHE HB2 H 1 3.449 0.003 . 1 . . . . . . . . 6081 1 664 . 1 1 64 64 PHE HB3 H 1 3.015 0.003 . 1 . . . . . . . . 6081 1 665 . 1 1 64 64 PHE CD1 C 13 131.814 0.000 . 1 . . . . . . . . 6081 1 666 . 1 1 64 64 PHE CE1 C 13 131.814 0.000 . 1 . . . . . . . . 6081 1 667 . 1 1 64 64 PHE HD1 H 1 7.325 0.000 . 1 . . . . . . . . 6081 1 668 . 1 1 64 64 PHE HE1 H 1 7.406 0.000 . 1 . . . . . . . . 6081 1 669 . 1 1 64 64 PHE C C 13 175.161 0.000 . 1 . . . . . . . . 6081 1 670 . 1 1 65 65 GLY N N 15 110.190 0.000 . 1 . . . . . . . . 6081 1 671 . 1 1 65 65 GLY H H 1 7.858 0.000 . 1 . . . . . . . . 6081 1 672 . 1 1 65 65 GLY CA C 13 47.801 0.000 . 1 . . . . . . . . 6081 1 673 . 1 1 65 65 GLY HA2 H 1 4.010 0.000 . 1 . . . . . . . . 6081 1 674 . 1 1 65 65 GLY C C 13 176.463 0.000 . 1 . . . . . . . . 6081 1 675 . 1 1 66 66 ASN N N 15 122.324 0.000 . 1 . . . . . . . . 6081 1 676 . 1 1 66 66 ASN H H 1 10.371 0.000 . 1 . . . . . . . . 6081 1 677 . 1 1 66 66 ASN CA C 13 55.603 0.000 . 1 . . . . . . . . 6081 1 678 . 1 1 66 66 ASN HA H 1 4.582 0.002 . 1 . . . . . . . . 6081 1 679 . 1 1 66 66 ASN CB C 13 39.373 0.000 . 1 . . . . . . . . 6081 1 680 . 1 1 66 66 ASN HB2 H 1 3.009 0.015 . 1 . . . . . . . . 6081 1 681 . 1 1 66 66 ASN ND2 N 15 114.243 0.000 . 1 . . . . . . . . 6081 1 682 . 1 1 66 66 ASN HD21 H 1 7.004 0.000 . 1 . . . . . . . . 6081 1 683 . 1 1 66 66 ASN HD22 H 1 7.934 0.000 . 1 . . . . . . . . 6081 1 684 . 1 1 66 66 ASN C C 13 178.014 0.000 . 1 . . . . . . . . 6081 1 685 . 1 1 67 67 GLY N N 15 109.545 0.000 . 1 . . . . . . . . 6081 1 686 . 1 1 67 67 GLY H H 1 10.897 0.000 . 1 . . . . . . . . 6081 1 687 . 1 1 67 67 GLY CA C 13 45.351 0.000 . 1 . . . . . . . . 6081 1 688 . 1 1 67 67 GLY HA2 H 1 4.340 0.000 . 1 . . . . . . . . 6081 1 689 . 1 1 67 67 GLY HA3 H 1 3.760 0.000 . 1 . . . . . . . . 6081 1 690 . 1 1 67 67 GLY C C 13 174.077 0.000 . 1 . . . . . . . . 6081 1 691 . 1 1 68 68 ASP N N 15 118.759 0.000 . 1 . . . . . . . . 6081 1 692 . 1 1 68 68 ASP H H 1 7.593 0.000 . 1 . . . . . . . . 6081 1 693 . 1 1 68 68 ASP CA C 13 52.737 0.000 . 1 . . . . . . . . 6081 1 694 . 1 1 68 68 ASP HA H 1 5.407 0.007 . 1 . . . . . . . . 6081 1 695 . 1 1 68 68 ASP CB C 13 44.739 0.000 . 1 . . . . . . . . 6081 1 696 . 1 1 68 68 ASP HB2 H 1 2.590 0.005 . 1 . . . . . . . . 6081 1 697 . 1 1 68 68 ASP HB3 H 1 2.754 0.010 . 1 . . . . . . . . 6081 1 698 . 1 1 68 68 ASP C C 13 173.894 0.000 . 1 . . . . . . . . 6081 1 699 . 1 1 69 69 ILE N N 15 111.640 0.000 . 1 . . . . . . . . 6081 1 700 . 1 1 69 69 ILE H H 1 8.752 0.000 . 1 . . . . . . . . 6081 1 701 . 1 1 69 69 ILE CA C 13 59.842 0.000 . 1 . . . . . . . . 6081 1 702 . 1 1 69 69 ILE HA H 1 4.903 0.002 . 1 . . . . . . . . 6081 1 703 . 1 1 69 69 ILE CB C 13 42.691 0.000 . 1 . . . . . . . . 6081 1 704 . 1 1 69 69 ILE HB H 1 1.996 0.006 . 1 . . . . . . . . 6081 1 705 . 1 1 69 69 ILE HG21 H 1 0.991 0.012 . 1 . . . . . . . . 6081 1 706 . 1 1 69 69 ILE HG22 H 1 0.991 0.012 . 1 . . . . . . . . 6081 1 707 . 1 1 69 69 ILE HG23 H 1 0.991 0.012 . 1 . . . . . . . . 6081 1 708 . 1 1 69 69 ILE CG2 C 13 17.503 0.000 . 1 . . . . . . . . 6081 1 709 . 1 1 69 69 ILE CG1 C 13 26.253 0.000 . 1 . . . . . . . . 6081 1 710 . 1 1 69 69 ILE HG12 H 1 1.075 0.008 . 1 . . . . . . . . 6081 1 711 . 1 1 69 69 ILE HG13 H 1 1.654 0.003 . 1 . . . . . . . . 6081 1 712 . 1 1 69 69 ILE HD11 H 1 0.782 0.002 . 1 . . . . . . . . 6081 1 713 . 1 1 69 69 ILE HD12 H 1 0.782 0.002 . 1 . . . . . . . . 6081 1 714 . 1 1 69 69 ILE HD13 H 1 0.782 0.002 . 1 . . . . . . . . 6081 1 715 . 1 1 69 69 ILE CD1 C 13 14.220 0.000 . 1 . . . . . . . . 6081 1 716 . 1 1 69 69 ILE C C 13 174.144 0.000 . 1 . . . . . . . . 6081 1 717 . 1 1 70 70 ASP N N 15 120.415 0.000 . 1 . . . . . . . . 6081 1 718 . 1 1 70 70 ASP H H 1 8.256 0.000 . 1 . . . . . . . . 6081 1 719 . 1 1 70 70 ASP CA C 13 51.956 0.000 . 1 . . . . . . . . 6081 1 720 . 1 1 70 70 ASP HA H 1 5.598 0.005 . 1 . . . . . . . . 6081 1 721 . 1 1 70 70 ASP CB C 13 42.691 0.000 . 1 . . . . . . . . 6081 1 722 . 1 1 70 70 ASP HB2 H 1 3.427 0.005 . 1 . . . . . . . . 6081 1 723 . 1 1 70 70 ASP HB3 H 1 2.813 0.009 . 1 . . . . . . . . 6081 1 724 . 1 1 70 70 ASP C C 13 176.452 0.000 . 1 . . . . . . . . 6081 1 725 . 1 1 71 71 PHE N N 15 119.398 0.000 . 1 . . . . . . . . 6081 1 726 . 1 1 71 71 PHE H H 1 8.499 0.000 . 1 . . . . . . . . 6081 1 727 . 1 1 71 71 PHE CA C 13 60.537 0.000 . 1 . . . . . . . . 6081 1 728 . 1 1 71 71 PHE HA H 1 3.565 0.005 . 1 . . . . . . . . 6081 1 729 . 1 1 71 71 PHE CB C 13 38.456 0.000 . 1 . . . . . . . . 6081 1 730 . 1 1 71 71 PHE HB2 H 1 2.672 0.002 . 1 . . . . . . . . 6081 1 731 . 1 1 71 71 PHE HB3 H 1 2.380 0.006 . 1 . . . . . . . . 6081 1 732 . 1 1 71 71 PHE CD1 C 13 132.075 0.000 . 1 . . . . . . . . 6081 1 733 . 1 1 71 71 PHE CE1 C 13 130.770 0.000 . 1 . . . . . . . . 6081 1 734 . 1 1 71 71 PHE HD1 H 1 6.526 0.001 . 1 . . . . . . . . 6081 1 735 . 1 1 71 71 PHE HE1 H 1 7.105 0.001 . 1 . . . . . . . . 6081 1 736 . 1 1 71 71 PHE C C 13 176.464 0.000 . 1 . . . . . . . . 6081 1 737 . 1 1 72 72 ASP N N 15 118.984 0.000 . 1 . . . . . . . . 6081 1 738 . 1 1 72 72 ASP H H 1 8.136 0.000 . 1 . . . . . . . . 6081 1 739 . 1 1 72 72 ASP CA C 13 58.345 0.000 . 1 . . . . . . . . 6081 1 740 . 1 1 72 72 ASP HA H 1 4.044 0.006 . 1 . . . . . . . . 6081 1 741 . 1 1 72 72 ASP CB C 13 40.210 0.000 . 1 . . . . . . . . 6081 1 742 . 1 1 72 72 ASP HB2 H 1 2.616 0.005 . 1 . . . . . . . . 6081 1 743 . 1 1 72 72 ASP HB3 H 1 2.727 0.006 . 1 . . . . . . . . 6081 1 744 . 1 1 72 72 ASP C C 13 179.637 0.000 . 1 . . . . . . . . 6081 1 745 . 1 1 73 73 SER N N 15 116.112 0.000 . 1 . . . . . . . . 6081 1 746 . 1 1 73 73 SER H H 1 8.188 0.000 . 1 . . . . . . . . 6081 1 747 . 1 1 73 73 SER CA C 13 62.243 0.000 . 1 . . . . . . . . 6081 1 748 . 1 1 73 73 SER HA H 1 4.083 0.003 . 1 . . . . . . . . 6081 1 749 . 1 1 73 73 SER HB2 H 1 3.520 0.000 . 1 . . . . . . . . 6081 1 750 . 1 1 73 73 SER C C 13 174.768 0.000 . 1 . . . . . . . . 6081 1 751 . 1 1 74 74 PHE N N 15 122.519 0.000 . 1 . . . . . . . . 6081 1 752 . 1 1 74 74 PHE H H 1 8.144 0.000 . 1 . . . . . . . . 6081 1 753 . 1 1 74 74 PHE CA C 13 61.623 0.000 . 1 . . . . . . . . 6081 1 754 . 1 1 74 74 PHE HA H 1 3.780 0.003 . 1 . . . . . . . . 6081 1 755 . 1 1 74 74 PHE CB C 13 39.797 0.000 . 1 . . . . . . . . 6081 1 756 . 1 1 74 74 PHE HB2 H 1 2.899 0.003 . 1 . . . . . . . . 6081 1 757 . 1 1 74 74 PHE HB3 H 1 3.072 0.007 . 1 . . . . . . . . 6081 1 758 . 1 1 74 74 PHE CE1 C 13 128.422 0.000 . 1 . . . . . . . . 6081 1 759 . 1 1 74 74 PHE HZ H 1 7.222 0.000 . 1 . . . . . . . . 6081 1 760 . 1 1 74 74 PHE HD1 H 1 6.526 0.000 . 1 . . . . . . . . 6081 1 761 . 1 1 74 74 PHE HE1 H 1 7.111 0.003 . 1 . . . . . . . . 6081 1 762 . 1 1 74 74 PHE C C 13 176.288 0.000 . 1 . . . . . . . . 6081 1 763 . 1 1 75 75 LYS N N 15 117.726 0.000 . 1 . . . . . . . . 6081 1 764 . 1 1 75 75 LYS H H 1 8.262 0.000 . 1 . . . . . . . . 6081 1 765 . 1 1 75 75 LYS CA C 13 60.419 0.000 . 1 . . . . . . . . 6081 1 766 . 1 1 75 75 LYS HA H 1 3.364 0.001 . 1 . . . . . . . . 6081 1 767 . 1 1 75 75 LYS CB C 13 31.961 0.000 . 1 . . . . . . . . 6081 1 768 . 1 1 75 75 LYS HB2 H 1 1.469 0.010 . 1 . . . . . . . . 6081 1 769 . 1 1 75 75 LYS HB3 H 1 1.347 0.007 . 1 . . . . . . . . 6081 1 770 . 1 1 75 75 LYS HG2 H 1 0.826 0.001 . 1 . . . . . . . . 6081 1 771 . 1 1 75 75 LYS HG3 H 1 0.773 0.003 . 1 . . . . . . . . 6081 1 772 . 1 1 75 75 LYS C C 13 177.691 0.000 . 1 . . . . . . . . 6081 1 773 . 1 1 76 76 ILE N N 15 119.088 0.000 . 1 . . . . . . . . 6081 1 774 . 1 1 76 76 ILE H H 1 6.856 0.000 . 1 . . . . . . . . 6081 1 775 . 1 1 76 76 ILE CA C 13 65.463 0.000 . 1 . . . . . . . . 6081 1 776 . 1 1 76 76 ILE HA H 1 3.331 0.009 . 1 . . . . . . . . 6081 1 777 . 1 1 76 76 ILE CB C 13 37.326 0.000 . 1 . . . . . . . . 6081 1 778 . 1 1 76 76 ILE HB H 1 1.941 0.002 . 1 . . . . . . . . 6081 1 779 . 1 1 76 76 ILE HG21 H 1 0.974 0.000 . 1 . . . . . . . . 6081 1 780 . 1 1 76 76 ILE HG22 H 1 0.974 0.000 . 1 . . . . . . . . 6081 1 781 . 1 1 76 76 ILE HG23 H 1 0.974 0.000 . 1 . . . . . . . . 6081 1 782 . 1 1 76 76 ILE CG2 C 13 18.296 0.019 . 1 . . . . . . . . 6081 1 783 . 1 1 76 76 ILE HD11 H 1 0.979 0.001 . 1 . . . . . . . . 6081 1 784 . 1 1 76 76 ILE HD12 H 1 0.979 0.001 . 1 . . . . . . . . 6081 1 785 . 1 1 76 76 ILE HD13 H 1 0.979 0.001 . 1 . . . . . . . . 6081 1 786 . 1 1 76 76 ILE CD1 C 13 13.674 0.000 . 1 . . . . . . . . 6081 1 787 . 1 1 76 76 ILE C C 13 178.189 0.000 . 1 . . . . . . . . 6081 1 788 . 1 1 77 77 ILE N N 15 119.656 0.000 . 1 . . . . . . . . 6081 1 789 . 1 1 77 77 ILE H H 1 7.196 0.000 . 1 . . . . . . . . 6081 1 790 . 1 1 77 77 ILE CA C 13 66.316 0.000 . 1 . . . . . . . . 6081 1 791 . 1 1 77 77 ILE HA H 1 3.011 0.005 . 1 . . . . . . . . 6081 1 792 . 1 1 77 77 ILE CB C 13 37.538 0.000 . 1 . . . . . . . . 6081 1 793 . 1 1 77 77 ILE HB H 1 1.554 0.006 . 1 . . . . . . . . 6081 1 794 . 1 1 77 77 ILE HG21 H 1 0.725 0.003 . 1 . . . . . . . . 6081 1 795 . 1 1 77 77 ILE HG22 H 1 0.725 0.003 . 1 . . . . . . . . 6081 1 796 . 1 1 77 77 ILE HG23 H 1 0.725 0.003 . 1 . . . . . . . . 6081 1 797 . 1 1 77 77 ILE CG2 C 13 17.503 0.000 . 1 . . . . . . . . 6081 1 798 . 1 1 77 77 ILE CG1 C 13 28.987 0.000 . 1 . . . . . . . . 6081 1 799 . 1 1 77 77 ILE HG12 H 1 0.455 0.010 . 1 . . . . . . . . 6081 1 800 . 1 1 77 77 ILE HG13 H 1 1.005 0.006 . 1 . . . . . . . . 6081 1 801 . 1 1 77 77 ILE HD11 H 1 0.411 0.014 . 1 . . . . . . . . 6081 1 802 . 1 1 77 77 ILE HD12 H 1 0.411 0.014 . 1 . . . . . . . . 6081 1 803 . 1 1 77 77 ILE HD13 H 1 0.411 0.014 . 1 . . . . . . . . 6081 1 804 . 1 1 77 77 ILE CD1 C 13 13.128 0.000 . 1 . . . . . . . . 6081 1 805 . 1 1 77 77 ILE C C 13 177.657 0.000 . 1 . . . . . . . . 6081 1 806 . 1 1 78 78 GLY N N 15 103.881 0.000 . 1 . . . . . . . . 6081 1 807 . 1 1 78 78 GLY H H 1 8.479 0.000 . 1 . . . . . . . . 6081 1 808 . 1 1 78 78 GLY CA C 13 47.274 0.000 . 1 . . . . . . . . 6081 1 809 . 1 1 78 78 GLY HA2 H 1 3.310 0.000 . 1 . . . . . . . . 6081 1 810 . 1 1 78 78 GLY HA3 H 1 3.240 0.000 . 1 . . . . . . . . 6081 1 811 . 1 1 78 78 GLY C C 13 174.661 0.000 . 1 . . . . . . . . 6081 1 812 . 1 1 79 79 ALA N N 15 121.701 0.000 . 1 . . . . . . . . 6081 1 813 . 1 1 79 79 ALA H H 1 8.250 0.000 . 1 . . . . . . . . 6081 1 814 . 1 1 79 79 ALA CA C 13 54.571 0.000 . 1 . . . . . . . . 6081 1 815 . 1 1 79 79 ALA HA H 1 3.907 0.005 . 1 . . . . . . . . 6081 1 816 . 1 1 79 79 ALA HB1 H 1 1.256 0.004 . 1 . . . . . . . . 6081 1 817 . 1 1 79 79 ALA HB2 H 1 1.256 0.004 . 1 . . . . . . . . 6081 1 818 . 1 1 79 79 ALA HB3 H 1 1.256 0.004 . 1 . . . . . . . . 6081 1 819 . 1 1 79 79 ALA CB C 13 18.116 0.000 . 1 . . . . . . . . 6081 1 820 . 1 1 79 79 ALA C C 13 178.852 0.000 . 1 . . . . . . . . 6081 1 821 . 1 1 80 80 ARG N N 15 116.825 0.000 . 1 . . . . . . . . 6081 1 822 . 1 1 80 80 ARG H H 1 7.558 0.000 . 1 . . . . . . . . 6081 1 823 . 1 1 80 80 ARG CA C 13 58.970 0.000 . 1 . . . . . . . . 6081 1 824 . 1 1 80 80 ARG HA H 1 3.744 0.003 . 1 . . . . . . . . 6081 1 825 . 1 1 80 80 ARG CB C 13 29.702 0.000 . 1 . . . . . . . . 6081 1 826 . 1 1 80 80 ARG HB2 H 1 1.081 0.005 . 1 . . . . . . . . 6081 1 827 . 1 1 80 80 ARG HB3 H 1 1.460 0.004 . 1 . . . . . . . . 6081 1 828 . 1 1 80 80 ARG CG C 13 26.441 0.000 . 1 . . . . . . . . 6081 1 829 . 1 1 80 80 ARG HG2 H 1 0.980 0.009 . 1 . . . . . . . . 6081 1 830 . 1 1 80 80 ARG HG3 H 1 1.541 0.005 . 1 . . . . . . . . 6081 1 831 . 1 1 80 80 ARG CD C 13 43.847 0.000 . 1 . . . . . . . . 6081 1 832 . 1 1 80 80 ARG HD2 H 1 2.513 0.003 . 1 . . . . . . . . 6081 1 833 . 1 1 80 80 ARG HD3 H 1 2.988 0.003 . 1 . . . . . . . . 6081 1 834 . 1 1 80 80 ARG NE N 15 122.968 0.000 . 1 . . . . . . . . 6081 1 835 . 1 1 80 80 ARG HE H 1 6.863 0.000 . 1 . . . . . . . . 6081 1 836 . 1 1 80 80 ARG C C 13 177.555 0.000 . 1 . . . . . . . . 6081 1 837 . 1 1 81 81 PHE N N 15 113.314 0.000 . 1 . . . . . . . . 6081 1 838 . 1 1 81 81 PHE H H 1 7.003 0.000 . 1 . . . . . . . . 6081 1 839 . 1 1 81 81 PHE CA C 13 58.434 0.000 . 1 . . . . . . . . 6081 1 840 . 1 1 81 81 PHE HA H 1 4.874 0.003 . 1 . . . . . . . . 6081 1 841 . 1 1 81 81 PHE CB C 13 42.480 0.000 . 1 . . . . . . . . 6081 1 842 . 1 1 81 81 PHE HB2 H 1 3.338 0.006 . 1 . . . . . . . . 6081 1 843 . 1 1 81 81 PHE HB3 H 1 2.533 0.008 . 1 . . . . . . . . 6081 1 844 . 1 1 81 81 PHE CD1 C 13 132.075 0.000 . 1 . . . . . . . . 6081 1 845 . 1 1 81 81 PHE CE1 C 13 130.509 0.000 . 1 . . . . . . . . 6081 1 846 . 1 1 81 81 PHE HD1 H 1 7.227 0.001 . 1 . . . . . . . . 6081 1 847 . 1 1 81 81 PHE HE1 H 1 7.156 0.007 . 1 . . . . . . . . 6081 1 848 . 1 1 81 81 PHE C C 13 176.480 0.000 . 1 . . . . . . . . 6081 1 849 . 1 1 82 82 LEU N N 15 120.572 0.000 . 1 . . . . . . . . 6081 1 850 . 1 1 82 82 LEU H H 1 8.396 0.000 . 1 . . . . . . . . 6081 1 851 . 1 1 82 82 LEU CA C 13 56.211 0.000 . 1 . . . . . . . . 6081 1 852 . 1 1 82 82 LEU HA H 1 4.299 0.003 . 1 . . . . . . . . 6081 1 853 . 1 1 82 82 LEU CB C 13 42.691 0.000 . 1 . . . . . . . . 6081 1 854 . 1 1 82 82 LEU HB2 H 1 1.638 0.012 . 1 . . . . . . . . 6081 1 855 . 1 1 82 82 LEU HG H 1 1.496 0.004 . 1 . . . . . . . . 6081 1 856 . 1 1 82 82 LEU HD11 H 1 0.764 0.005 . 1 . . . . . . . . 6081 1 857 . 1 1 82 82 LEU HD12 H 1 0.764 0.005 . 1 . . . . . . . . 6081 1 858 . 1 1 82 82 LEU HD13 H 1 0.764 0.005 . 1 . . . . . . . . 6081 1 859 . 1 1 82 82 LEU HD21 H 1 0.941 0.005 . 1 . . . . . . . . 6081 1 860 . 1 1 82 82 LEU HD22 H 1 0.941 0.005 . 1 . . . . . . . . 6081 1 861 . 1 1 82 82 LEU HD23 H 1 0.941 0.005 . 1 . . . . . . . . 6081 1 862 . 1 1 82 82 LEU CD1 C 13 25.159 0.000 . 1 . . . . . . . . 6081 1 863 . 1 1 82 82 LEU C C 13 177.640 0.000 . 1 . . . . . . . . 6081 1 864 . 1 1 83 83 GLY N N 15 108.039 0.000 . 1 . . . . . . . . 6081 1 865 . 1 1 83 83 GLY H H 1 8.193 0.000 . 1 . . . . . . . . 6081 1 866 . 1 1 83 83 GLY CA C 13 44.904 0.000 . 1 . . . . . . . . 6081 1 867 . 1 1 83 83 GLY HA2 H 1 4.050 0.000 . 1 . . . . . . . . 6081 1 868 . 1 1 83 83 GLY HA3 H 1 3.800 0.000 . 1 . . . . . . . . 6081 1 869 . 1 1 83 83 GLY C C 13 173.576 0.000 . 1 . . . . . . . . 6081 1 870 . 1 1 84 84 GLU N N 15 120.240 0.000 . 1 . . . . . . . . 6081 1 871 . 1 1 84 84 GLU H H 1 8.193 0.000 . 1 . . . . . . . . 6081 1 872 . 1 1 84 84 GLU CA C 13 56.153 0.000 . 1 . . . . . . . . 6081 1 873 . 1 1 84 84 GLU HA H 1 4.381 0.000 . 1 . . . . . . . . 6081 1 874 . 1 1 84 84 GLU CB C 13 30.549 0.000 . 1 . . . . . . . . 6081 1 875 . 1 1 84 84 GLU HB2 H 1 1.971 0.000 . 1 . . . . . . . . 6081 1 876 . 1 1 84 84 GLU CG C 13 36.375 0.000 . 1 . . . . . . . . 6081 1 877 . 1 1 84 84 GLU HG2 H 1 2.311 0.000 . 1 . . . . . . . . 6081 1 878 . 1 1 84 84 GLU C C 13 176.744 0.000 . 1 . . . . . . . . 6081 1 879 . 1 1 85 85 GLU N N 15 124.103 0.000 . 1 . . . . . . . . 6081 1 880 . 1 1 85 85 GLU H H 1 8.750 0.000 . 1 . . . . . . . . 6081 1 881 . 1 1 85 85 GLU CA C 13 56.369 0.000 . 1 . . . . . . . . 6081 1 882 . 1 1 85 85 GLU HA H 1 4.374 0.000 . 1 . . . . . . . . 6081 1 883 . 1 1 85 85 GLU CB C 13 30.549 0.000 . 1 . . . . . . . . 6081 1 884 . 1 1 85 85 GLU HB2 H 1 1.981 0.000 . 1 . . . . . . . . 6081 1 885 . 1 1 85 85 GLU CG C 13 36.591 0.000 . 1 . . . . . . . . 6081 1 886 . 1 1 85 85 GLU HG2 H 1 2.300 0.000 . 1 . . . . . . . . 6081 1 887 . 1 1 85 85 GLU C C 13 176.195 0.000 . 1 . . . . . . . . 6081 1 888 . 1 1 86 86 VAL N N 15 122.885 0.000 . 1 . . . . . . . . 6081 1 889 . 1 1 86 86 VAL H H 1 8.311 0.000 . 1 . . . . . . . . 6081 1 890 . 1 1 86 86 VAL CA C 13 62.116 0.000 . 1 . . . . . . . . 6081 1 891 . 1 1 86 86 VAL HA H 1 4.128 0.004 . 1 . . . . . . . . 6081 1 892 . 1 1 86 86 VAL CB C 13 32.949 0.000 . 1 . . . . . . . . 6081 1 893 . 1 1 86 86 VAL HB H 1 2.049 0.006 . 1 . . . . . . . . 6081 1 894 . 1 1 86 86 VAL HG11 H 1 0.943 0.011 . 1 . . . . . . . . 6081 1 895 . 1 1 86 86 VAL HG12 H 1 0.943 0.011 . 1 . . . . . . . . 6081 1 896 . 1 1 86 86 VAL HG13 H 1 0.943 0.011 . 1 . . . . . . . . 6081 1 897 . 1 1 86 86 VAL HG21 H 1 0.915 0.008 . 1 . . . . . . . . 6081 1 898 . 1 1 86 86 VAL HG22 H 1 0.915 0.008 . 1 . . . . . . . . 6081 1 899 . 1 1 86 86 VAL HG23 H 1 0.915 0.008 . 1 . . . . . . . . 6081 1 900 . 1 1 86 86 VAL CG1 C 13 21.046 0.000 . 1 . . . . . . . . 6081 1 901 . 1 1 86 86 VAL CG2 C 13 20.779 0.000 . 1 . . . . . . . . 6081 1 902 . 1 1 86 86 VAL C C 13 175.464 0.000 . 1 . . . . . . . . 6081 1 903 . 1 1 87 87 ASN N N 15 124.719 0.000 . 1 . . . . . . . . 6081 1 904 . 1 1 87 87 ASN H H 1 8.693 0.000 . 1 . . . . . . . . 6081 1 905 . 1 1 87 87 ASN CA C 13 51.190 0.000 . 1 . . . . . . . . 6081 1 906 . 1 1 87 87 ASN HA H 1 5.052 0.001 . 1 . . . . . . . . 6081 1 907 . 1 1 87 87 ASN CB C 13 38.809 0.000 . 1 . . . . . . . . 6081 1 908 . 1 1 87 87 ASN HB2 H 1 2.967 0.004 . 1 . . . . . . . . 6081 1 909 . 1 1 87 87 ASN HB3 H 1 2.873 0.004 . 1 . . . . . . . . 6081 1 910 . 1 1 87 87 ASN ND2 N 15 113.240 0.000 . 1 . . . . . . . . 6081 1 911 . 1 1 87 87 ASN HD21 H 1 7.738 0.000 . 1 . . . . . . . . 6081 1 912 . 1 1 87 87 ASN HD22 H 1 7.085 0.000 . 1 . . . . . . . . 6081 1 913 . 1 1 88 88 PRO CA C 13 65.015 0.000 . 1 . . . . . . . . 6081 1 914 . 1 1 88 88 PRO HA H 1 4.390 0.007 . 1 . . . . . . . . 6081 1 915 . 1 1 88 88 PRO CB C 13 32.012 0.000 . 1 . . . . . . . . 6081 1 916 . 1 1 88 88 PRO HB2 H 1 2.401 0.002 . 1 . . . . . . . . 6081 1 917 . 1 1 88 88 PRO HB3 H 1 2.034 0.008 . 1 . . . . . . . . 6081 1 918 . 1 1 88 88 PRO HD2 H 1 3.891 0.005 . 1 . . . . . . . . 6081 1 919 . 1 1 88 88 PRO HD3 H 1 3.939 0.002 . 1 . . . . . . . . 6081 1 920 . 1 1 88 88 PRO C C 13 178.139 0.000 . 1 . . . . . . . . 6081 1 921 . 1 1 89 89 GLU N N 15 118.863 0.000 . 1 . . . . . . . . 6081 1 922 . 1 1 89 89 GLU H H 1 8.347 0.000 . 1 . . . . . . . . 6081 1 923 . 1 1 89 89 GLU CA C 13 58.831 0.000 . 1 . . . . . . . . 6081 1 924 . 1 1 89 89 GLU HA H 1 4.193 0.006 . 1 . . . . . . . . 6081 1 925 . 1 1 89 89 GLU CB C 13 29.281 0.000 . 1 . . . . . . . . 6081 1 926 . 1 1 89 89 GLU HB2 H 1 2.085 0.011 . 1 . . . . . . . . 6081 1 927 . 1 1 89 89 GLU CG C 13 36.644 0.000 . 1 . . . . . . . . 6081 1 928 . 1 1 89 89 GLU HG2 H 1 2.332 0.006 . 1 . . . . . . . . 6081 1 929 . 1 1 89 89 GLU C C 13 178.264 0.000 . 1 . . . . . . . . 6081 1 930 . 1 1 90 90 GLN N N 15 120.861 0.000 . 1 . . . . . . . . 6081 1 931 . 1 1 90 90 GLN H H 1 7.991 0.000 . 1 . . . . . . . . 6081 1 932 . 1 1 90 90 GLN CA C 13 58.484 0.000 . 1 . . . . . . . . 6081 1 933 . 1 1 90 90 GLN CB C 13 28.538 0.000 . 1 . . . . . . . . 6081 1 934 . 1 1 90 90 GLN NE2 N 15 112.415 0.000 . 1 . . . . . . . . 6081 1 935 . 1 1 90 90 GLN HE21 H 1 6.850 0.000 . 1 . . . . . . . . 6081 1 936 . 1 1 90 90 GLN HE22 H 1 7.705 0.000 . 1 . . . . . . . . 6081 1 937 . 1 1 90 90 GLN C C 13 176.450 0.000 . 1 . . . . . . . . 6081 1 938 . 1 1 91 91 MET N N 15 119.697 0.000 . 1 . . . . . . . . 6081 1 939 . 1 1 91 91 MET H H 1 8.526 0.000 . 1 . . . . . . . . 6081 1 940 . 1 1 91 91 MET CA C 13 58.280 0.000 . 1 . . . . . . . . 6081 1 941 . 1 1 91 91 MET CB C 13 32.359 0.000 . 1 . . . . . . . . 6081 1 942 . 1 1 91 91 MET C C 13 178.032 0.000 . 1 . . . . . . . . 6081 1 943 . 1 1 92 92 GLN N N 15 118.309 0.000 . 1 . . . . . . . . 6081 1 944 . 1 1 92 92 GLN H H 1 8.218 0.000 . 1 . . . . . . . . 6081 1 945 . 1 1 92 92 GLN CA C 13 59.043 0.000 . 1 . . . . . . . . 6081 1 946 . 1 1 92 92 GLN HA H 1 4.127 0.000 . 1 . . . . . . . . 6081 1 947 . 1 1 92 92 GLN CB C 13 28.260 0.000 . 1 . . . . . . . . 6081 1 948 . 1 1 92 92 GLN HB2 H 1 2.251 0.002 . 1 . . . . . . . . 6081 1 949 . 1 1 92 92 GLN CG C 13 34.456 0.000 . 1 . . . . . . . . 6081 1 950 . 1 1 92 92 GLN HG2 H 1 2.615 0.003 . 1 . . . . . . . . 6081 1 951 . 1 1 92 92 GLN HG3 H 1 2.476 0.001 . 1 . . . . . . . . 6081 1 952 . 1 1 92 92 GLN NE2 N 15 111.790 0.004 . 1 . . . . . . . . 6081 1 953 . 1 1 92 92 GLN HE21 H 1 6.853 0.000 . 1 . . . . . . . . 6081 1 954 . 1 1 92 92 GLN HE22 H 1 7.289 0.000 . 1 . . . . . . . . 6081 1 955 . 1 1 92 92 GLN C C 13 177.747 0.000 . 1 . . . . . . . . 6081 1 956 . 1 1 93 93 GLN N N 15 119.541 0.000 . 1 . . . . . . . . 6081 1 957 . 1 1 93 93 GLN H H 1 8.067 0.000 . 1 . . . . . . . . 6081 1 958 . 1 1 93 93 GLN CA C 13 59.613 0.000 . 1 . . . . . . . . 6081 1 959 . 1 1 93 93 GLN HA H 1 4.044 0.022 . 1 . . . . . . . . 6081 1 960 . 1 1 93 93 GLN CB C 13 28.051 0.000 . 1 . . . . . . . . 6081 1 961 . 1 1 93 93 GLN HB2 H 1 2.246 0.009 . 1 . . . . . . . . 6081 1 962 . 1 1 93 93 GLN HG2 H 1 2.479 0.002 . 1 . . . . . . . . 6081 1 963 . 1 1 93 93 GLN NE2 N 15 112.070 0.000 . 1 . . . . . . . . 6081 1 964 . 1 1 93 93 GLN HE21 H 1 6.815 0.000 . 1 . . . . . . . . 6081 1 965 . 1 1 93 93 GLN HE22 H 1 7.657 0.000 . 1 . . . . . . . . 6081 1 966 . 1 1 93 93 GLN C C 13 176.534 0.000 . 1 . . . . . . . . 6081 1 967 . 1 1 94 94 GLU N N 15 120.074 0.000 . 1 . . . . . . . . 6081 1 968 . 1 1 94 94 GLU H H 1 8.432 0.000 . 1 . . . . . . . . 6081 1 969 . 1 1 94 94 GLU CA C 13 59.463 0.000 . 1 . . . . . . . . 6081 1 970 . 1 1 94 94 GLU HA H 1 4.105 0.008 . 1 . . . . . . . . 6081 1 971 . 1 1 94 94 GLU CB C 13 29.232 0.000 . 1 . . . . . . . . 6081 1 972 . 1 1 94 94 GLU HB2 H 1 2.184 0.002 . 1 . . . . . . . . 6081 1 973 . 1 1 94 94 GLU HG2 H 1 2.477 0.003 . 1 . . . . . . . . 6081 1 974 . 1 1 94 94 GLU C C 13 179.367 0.000 . 1 . . . . . . . . 6081 1 975 . 1 1 95 95 LEU N N 15 121.492 0.000 . 1 . . . . . . . . 6081 1 976 . 1 1 95 95 LEU H H 1 8.317 0.000 . 1 . . . . . . . . 6081 1 977 . 1 1 95 95 LEU CA C 13 58.345 0.000 . 1 . . . . . . . . 6081 1 978 . 1 1 95 95 LEU HA H 1 4.483 0.004 . 1 . . . . . . . . 6081 1 979 . 1 1 95 95 LEU CB C 13 41.878 0.000 . 1 . . . . . . . . 6081 1 980 . 1 1 95 95 LEU HB2 H 1 1.750 0.013 . 1 . . . . . . . . 6081 1 981 . 1 1 95 95 LEU HB3 H 1 2.210 0.004 . 1 . . . . . . . . 6081 1 982 . 1 1 95 95 LEU CG C 13 26.940 0.000 . 1 . . . . . . . . 6081 1 983 . 1 1 95 95 LEU HG H 1 1.991 0.006 . 1 . . . . . . . . 6081 1 984 . 1 1 95 95 LEU HD11 H 1 0.932 0.006 . 1 . . . . . . . . 6081 1 985 . 1 1 95 95 LEU HD12 H 1 0.932 0.006 . 1 . . . . . . . . 6081 1 986 . 1 1 95 95 LEU HD13 H 1 0.932 0.006 . 1 . . . . . . . . 6081 1 987 . 1 1 95 95 LEU HD21 H 1 0.883 0.000 . 1 . . . . . . . . 6081 1 988 . 1 1 95 95 LEU HD22 H 1 0.883 0.000 . 1 . . . . . . . . 6081 1 989 . 1 1 95 95 LEU HD23 H 1 0.883 0.000 . 1 . . . . . . . . 6081 1 990 . 1 1 95 95 LEU CD1 C 13 23.518 0.000 . 1 . . . . . . . . 6081 1 991 . 1 1 95 95 LEU C C 13 179.209 0.000 . 1 . . . . . . . . 6081 1 992 . 1 1 96 96 ARG N N 15 120.837 0.000 . 1 . . . . . . . . 6081 1 993 . 1 1 96 96 ARG H H 1 8.476 0.000 . 1 . . . . . . . . 6081 1 994 . 1 1 96 96 ARG CA C 13 59.842 0.000 . 1 . . . . . . . . 6081 1 995 . 1 1 96 96 ARG HA H 1 4.026 0.006 . 1 . . . . . . . . 6081 1 996 . 1 1 96 96 ARG CB C 13 29.442 0.000 . 1 . . . . . . . . 6081 1 997 . 1 1 96 96 ARG HB2 H 1 1.912 0.002 . 1 . . . . . . . . 6081 1 998 . 1 1 96 96 ARG CG C 13 27.894 0.000 . 1 . . . . . . . . 6081 1 999 . 1 1 96 96 ARG HG2 H 1 1.341 0.003 . 1 . . . . . . . . 6081 1 1000 . 1 1 96 96 ARG HG3 H 1 1.550 0.005 . 1 . . . . . . . . 6081 1 1001 . 1 1 96 96 ARG CD C 13 43.207 0.000 . 1 . . . . . . . . 6081 1 1002 . 1 1 96 96 ARG HD2 H 1 2.854 0.003 . 1 . . . . . . . . 6081 1 1003 . 1 1 96 96 ARG HD3 H 1 2.927 0.006 . 1 . . . . . . . . 6081 1 1004 . 1 1 96 96 ARG NE N 15 124.236 0.000 . 1 . . . . . . . . 6081 1 1005 . 1 1 96 96 ARG HE H 1 7.040 0.000 . 1 . . . . . . . . 6081 1 1006 . 1 1 96 96 ARG C C 13 179.191 0.000 . 1 . . . . . . . . 6081 1 1007 . 1 1 97 97 GLU N N 15 119.205 0.000 . 1 . . . . . . . . 6081 1 1008 . 1 1 97 97 GLU H H 1 8.004 0.000 . 1 . . . . . . . . 6081 1 1009 . 1 1 97 97 GLU CA C 13 59.146 0.000 . 1 . . . . . . . . 6081 1 1010 . 1 1 97 97 GLU HA H 1 4.115 0.005 . 1 . . . . . . . . 6081 1 1011 . 1 1 97 97 GLU CB C 13 28.941 0.000 . 1 . . . . . . . . 6081 1 1012 . 1 1 97 97 GLU HB2 H 1 2.138 0.007 . 1 . . . . . . . . 6081 1 1013 . 1 1 97 97 GLU CG C 13 36.097 0.000 . 1 . . . . . . . . 6081 1 1014 . 1 1 97 97 GLU HG2 H 1 2.345 0.005 . 1 . . . . . . . . 6081 1 1015 . 1 1 97 97 GLU C C 13 178.750 0.000 . 1 . . . . . . . . 6081 1 1016 . 1 1 98 98 ALA N N 15 122.304 0.000 . 1 . . . . . . . . 6081 1 1017 . 1 1 98 98 ALA H H 1 7.995 0.000 . 1 . . . . . . . . 6081 1 1018 . 1 1 98 98 ALA CA C 13 54.984 0.000 . 1 . . . . . . . . 6081 1 1019 . 1 1 98 98 ALA HA H 1 4.127 0.004 . 1 . . . . . . . . 6081 1 1020 . 1 1 98 98 ALA HB1 H 1 1.782 0.002 . 1 . . . . . . . . 6081 1 1021 . 1 1 98 98 ALA HB2 H 1 1.782 0.002 . 1 . . . . . . . . 6081 1 1022 . 1 1 98 98 ALA HB3 H 1 1.782 0.002 . 1 . . . . . . . . 6081 1 1023 . 1 1 98 98 ALA CB C 13 17.919 0.000 . 1 . . . . . . . . 6081 1 1024 . 1 1 98 98 ALA C C 13 175.464 0.000 . 1 . . . . . . . . 6081 1 1025 . 1 1 99 99 PHE N N 15 117.693 0.000 . 1 . . . . . . . . 6081 1 1026 . 1 1 99 99 PHE H H 1 8.466 0.000 . 1 . . . . . . . . 6081 1 1027 . 1 1 99 99 PHE CA C 13 61.959 0.000 . 1 . . . . . . . . 6081 1 1028 . 1 1 99 99 PHE HA H 1 3.661 0.006 . 1 . . . . . . . . 6081 1 1029 . 1 1 99 99 PHE CB C 13 39.915 0.000 . 1 . . . . . . . . 6081 1 1030 . 1 1 99 99 PHE HB2 H 1 3.004 0.008 . 1 . . . . . . . . 6081 1 1031 . 1 1 99 99 PHE HB3 H 1 3.117 0.000 . 1 . . . . . . . . 6081 1 1032 . 1 1 99 99 PHE CD1 C 13 131.814 0.000 . 1 . . . . . . . . 6081 1 1033 . 1 1 99 99 PHE CE1 C 13 130.770 0.000 . 1 . . . . . . . . 6081 1 1034 . 1 1 99 99 PHE CZ C 13 128.944 0.000 . 1 . . . . . . . . 6081 1 1035 . 1 1 99 99 PHE HZ H 1 7.211 0.006 . 1 . . . . . . . . 6081 1 1036 . 1 1 99 99 PHE HD1 H 1 6.347 0.001 . 1 . . . . . . . . 6081 1 1037 . 1 1 99 99 PHE HE1 H 1 6.959 0.001 . 1 . . . . . . . . 6081 1 1038 . 1 1 99 99 PHE C C 13 177.015 0.000 . 1 . . . . . . . . 6081 1 1039 . 1 1 100 100 ARG N N 15 116.151 0.000 . 1 . . . . . . . . 6081 1 1040 . 1 1 100 100 ARG H H 1 7.831 0.000 . 1 . . . . . . . . 6081 1 1041 . 1 1 100 100 ARG CA C 13 58.548 0.000 . 1 . . . . . . . . 6081 1 1042 . 1 1 100 100 ARG HA H 1 3.881 0.017 . 1 . . . . . . . . 6081 1 1043 . 1 1 100 100 ARG CB C 13 29.984 0.000 . 1 . . . . . . . . 6081 1 1044 . 1 1 100 100 ARG HB2 H 1 1.905 0.003 . 1 . . . . . . . . 6081 1 1045 . 1 1 100 100 ARG CG C 13 27.838 0.000 . 1 . . . . . . . . 6081 1 1046 . 1 1 100 100 ARG HG2 H 1 1.745 0.117 . 1 . . . . . . . . 6081 1 1047 . 1 1 100 100 ARG CD C 13 43.453 0.000 . 1 . . . . . . . . 6081 1 1048 . 1 1 100 100 ARG HD2 H 1 2.996 0.029 . 1 . . . . . . . . 6081 1 1049 . 1 1 100 100 ARG NE N 15 124.805 0.000 . 1 . . . . . . . . 6081 1 1050 . 1 1 100 100 ARG HE H 1 7.280 0.000 . 1 . . . . . . . . 6081 1 1051 . 1 1 100 100 ARG C C 13 177.996 0.000 . 1 . . . . . . . . 6081 1 1052 . 1 1 101 101 LEU N N 15 118.193 0.000 . 1 . . . . . . . . 6081 1 1053 . 1 1 101 101 LEU H H 1 7.378 0.000 . 1 . . . . . . . . 6081 1 1054 . 1 1 101 101 LEU CA C 13 57.000 0.000 . 1 . . . . . . . . 6081 1 1055 . 1 1 101 101 LEU HA H 1 3.901 0.004 . 1 . . . . . . . . 6081 1 1056 . 1 1 101 101 LEU CB C 13 41.138 0.000 . 1 . . . . . . . . 6081 1 1057 . 1 1 101 101 LEU HB2 H 1 1.272 0.003 . 1 . . . . . . . . 6081 1 1058 . 1 1 101 101 LEU HB3 H 1 1.551 0.038 . 1 . . . . . . . . 6081 1 1059 . 1 1 101 101 LEU HG H 1 1.537 0.008 . 1 . . . . . . . . 6081 1 1060 . 1 1 101 101 LEU HD11 H 1 0.805 0.005 . 1 . . . . . . . . 6081 1 1061 . 1 1 101 101 LEU HD12 H 1 0.805 0.005 . 1 . . . . . . . . 6081 1 1062 . 1 1 101 101 LEU HD13 H 1 0.805 0.005 . 1 . . . . . . . . 6081 1 1063 . 1 1 101 101 LEU HD21 H 1 0.710 0.005 . 1 . . . . . . . . 6081 1 1064 . 1 1 101 101 LEU HD22 H 1 0.710 0.005 . 1 . . . . . . . . 6081 1 1065 . 1 1 101 101 LEU HD23 H 1 0.710 0.005 . 1 . . . . . . . . 6081 1 1066 . 1 1 101 101 LEU CD1 C 13 24.786 0.000 . 1 . . . . . . . . 6081 1 1067 . 1 1 101 101 LEU CD2 C 13 23.451 0.000 . 1 . . . . . . . . 6081 1 1068 . 1 1 101 101 LEU C C 13 178.940 0.000 . 1 . . . . . . . . 6081 1 1069 . 1 1 102 102 TYR N N 15 116.256 0.000 . 1 . . . . . . . . 6081 1 1070 . 1 1 102 102 TYR H H 1 7.313 0.000 . 1 . . . . . . . . 6081 1 1071 . 1 1 102 102 TYR CA C 13 59.242 0.000 . 1 . . . . . . . . 6081 1 1072 . 1 1 102 102 TYR HA H 1 4.417 0.004 . 1 . . . . . . . . 6081 1 1073 . 1 1 102 102 TYR CB C 13 39.020 0.000 . 1 . . . . . . . . 6081 1 1074 . 1 1 102 102 TYR HB2 H 1 2.470 0.011 . 1 . . . . . . . . 6081 1 1075 . 1 1 102 102 TYR HB3 H 1 2.965 0.013 . 1 . . . . . . . . 6081 1 1076 . 1 1 102 102 TYR CD1 C 13 133.380 0.000 . 1 . . . . . . . . 6081 1 1077 . 1 1 102 102 TYR CE1 C 13 118.247 0.000 . 1 . . . . . . . . 6081 1 1078 . 1 1 102 102 TYR HE1 H 1 6.809 0.001 . 1 . . . . . . . . 6081 1 1079 . 1 1 102 102 TYR HD1 H 1 7.037 0.000 . 1 . . . . . . . . 6081 1 1080 . 1 1 102 102 TYR C C 13 176.748 0.000 . 1 . . . . . . . . 6081 1 1081 . 1 1 103 103 ASP N N 15 121.620 0.000 . 1 . . . . . . . . 6081 1 1082 . 1 1 103 103 ASP H H 1 7.866 0.000 . 1 . . . . . . . . 6081 1 1083 . 1 1 103 103 ASP CA C 13 51.922 0.000 . 1 . . . . . . . . 6081 1 1084 . 1 1 103 103 ASP HA H 1 4.703 0.013 . 1 . . . . . . . . 6081 1 1085 . 1 1 103 103 ASP CB C 13 38.809 0.000 . 1 . . . . . . . . 6081 1 1086 . 1 1 103 103 ASP HB2 H 1 1.614 0.002 . 1 . . . . . . . . 6081 1 1087 . 1 1 103 103 ASP HB3 H 1 2.381 0.005 . 1 . . . . . . . . 6081 1 1088 . 1 1 103 103 ASP C C 13 176.623 0.000 . 1 . . . . . . . . 6081 1 1089 . 1 1 104 104 LYS N N 15 122.680 0.000 . 1 . . . . . . . . 6081 1 1090 . 1 1 104 104 LYS H H 1 7.615 0.000 . 1 . . . . . . . . 6081 1 1091 . 1 1 104 104 LYS CA C 13 59.069 0.000 . 1 . . . . . . . . 6081 1 1092 . 1 1 104 104 LYS HA H 1 3.987 0.005 . 1 . . . . . . . . 6081 1 1093 . 1 1 104 104 LYS CB C 13 32.567 0.000 . 1 . . . . . . . . 6081 1 1094 . 1 1 104 104 LYS HB2 H 1 1.821 0.013 . 1 . . . . . . . . 6081 1 1095 . 1 1 104 104 LYS CG C 13 25.159 0.000 . 1 . . . . . . . . 6081 1 1096 . 1 1 104 104 LYS HG2 H 1 1.467 0.004 . 1 . . . . . . . . 6081 1 1097 . 1 1 104 104 LYS CD C 13 29.534 0.000 . 1 . . . . . . . . 6081 1 1098 . 1 1 104 104 LYS HD2 H 1 1.733 0.009 . 1 . . . . . . . . 6081 1 1099 . 1 1 104 104 LYS HE2 H 1 3.048 0.011 . 1 . . . . . . . . 6081 1 1100 . 1 1 104 104 LYS C C 13 178.806 0.000 . 1 . . . . . . . . 6081 1 1101 . 1 1 105 105 GLU N N 15 115.981 0.000 . 1 . . . . . . . . 6081 1 1102 . 1 1 105 105 GLU H H 1 8.635 0.000 . 1 . . . . . . . . 6081 1 1103 . 1 1 105 105 GLU CA C 13 56.811 0.000 . 1 . . . . . . . . 6081 1 1104 . 1 1 105 105 GLU HA H 1 4.185 0.002 . 1 . . . . . . . . 6081 1 1105 . 1 1 105 105 GLU CB C 13 29.419 0.000 . 1 . . . . . . . . 6081 1 1106 . 1 1 105 105 GLU HB2 H 1 1.899 0.012 . 1 . . . . . . . . 6081 1 1107 . 1 1 105 105 GLU HB3 H 1 2.061 0.011 . 1 . . . . . . . . 6081 1 1108 . 1 1 105 105 GLU CG C 13 37.191 0.000 . 1 . . . . . . . . 6081 1 1109 . 1 1 105 105 GLU HG2 H 1 2.319 0.009 . 1 . . . . . . . . 6081 1 1110 . 1 1 105 105 GLU C C 13 176.980 0.000 . 1 . . . . . . . . 6081 1 1111 . 1 1 106 106 GLY N N 15 109.560 0.000 . 1 . . . . . . . . 6081 1 1112 . 1 1 106 106 GLY H H 1 7.658 0.000 . 1 . . . . . . . . 6081 1 1113 . 1 1 106 106 GLY CA C 13 47.022 0.000 . 1 . . . . . . . . 6081 1 1114 . 1 1 106 106 GLY HA2 H 1 3.830 0.000 . 1 . . . . . . . . 6081 1 1115 . 1 1 106 106 GLY HA3 H 1 3.630 0.000 . 1 . . . . . . . . 6081 1 1116 . 1 1 106 106 GLY C C 13 176.159 0.000 . 1 . . . . . . . . 6081 1 1117 . 1 1 107 107 ASN N N 15 120.859 0.000 . 1 . . . . . . . . 6081 1 1118 . 1 1 107 107 ASN H H 1 9.831 0.000 . 1 . . . . . . . . 6081 1 1119 . 1 1 107 107 ASN CA C 13 54.571 0.000 . 1 . . . . . . . . 6081 1 1120 . 1 1 107 107 ASN HA H 1 4.487 0.005 . 1 . . . . . . . . 6081 1 1121 . 1 1 107 107 ASN CB C 13 38.950 0.000 . 1 . . . . . . . . 6081 1 1122 . 1 1 107 107 ASN HB2 H 1 2.071 0.009 . 1 . . . . . . . . 6081 1 1123 . 1 1 107 107 ASN HB3 H 1 2.171 0.003 . 1 . . . . . . . . 6081 1 1124 . 1 1 107 107 ASN ND2 N 15 114.486 0.001 . 1 . . . . . . . . 6081 1 1125 . 1 1 107 107 ASN HD21 H 1 7.607 0.000 . 1 . . . . . . . . 6081 1 1126 . 1 1 107 107 ASN HD22 H 1 6.998 0.000 . 1 . . . . . . . . 6081 1 1127 . 1 1 107 107 ASN C C 13 176.641 0.000 . 1 . . . . . . . . 6081 1 1128 . 1 1 108 108 GLY N N 15 111.402 0.000 . 1 . . . . . . . . 6081 1 1129 . 1 1 108 108 GLY H H 1 10.862 0.000 . 1 . . . . . . . . 6081 1 1130 . 1 1 108 108 GLY CA C 13 45.110 0.000 . 1 . . . . . . . . 6081 1 1131 . 1 1 108 108 GLY HA2 H 1 4.320 0.000 . 1 . . . . . . . . 6081 1 1132 . 1 1 108 108 GLY HA3 H 1 3.630 0.000 . 1 . . . . . . . . 6081 1 1133 . 1 1 108 108 GLY C C 13 173.281 0.000 . 1 . . . . . . . . 6081 1 1134 . 1 1 109 109 TYR N N 15 114.231 0.000 . 1 . . . . . . . . 6081 1 1135 . 1 1 109 109 TYR H H 1 7.089 0.000 . 1 . . . . . . . . 6081 1 1136 . 1 1 109 109 TYR CA C 13 55.990 0.000 . 1 . . . . . . . . 6081 1 1137 . 1 1 109 109 TYR HA H 1 5.414 0.003 . 1 . . . . . . . . 6081 1 1138 . 1 1 109 109 TYR CB C 13 39.938 0.000 . 1 . . . . . . . . 6081 1 1139 . 1 1 109 109 TYR HB2 H 1 2.712 0.013 . 1 . . . . . . . . 6081 1 1140 . 1 1 109 109 TYR HB3 H 1 3.089 0.004 . 1 . . . . . . . . 6081 1 1141 . 1 1 109 109 TYR CD1 C 13 133.640 0.000 . 1 . . . . . . . . 6081 1 1142 . 1 1 109 109 TYR CE1 C 13 118.247 0.000 . 1 . . . . . . . . 6081 1 1143 . 1 1 109 109 TYR HE1 H 1 6.781 0.001 . 1 . . . . . . . . 6081 1 1144 . 1 1 109 109 TYR HD1 H 1 6.676 0.001 . 1 . . . . . . . . 6081 1 1145 . 1 1 109 109 TYR C C 13 172.949 0.000 . 1 . . . . . . . . 6081 1 1146 . 1 1 110 110 ILE N N 15 112.723 0.000 . 1 . . . . . . . . 6081 1 1147 . 1 1 110 110 ILE H H 1 8.990 0.000 . 1 . . . . . . . . 6081 1 1148 . 1 1 110 110 ILE CA C 13 59.043 0.000 . 1 . . . . . . . . 6081 1 1149 . 1 1 110 110 ILE HA H 1 4.802 0.017 . 1 . . . . . . . . 6081 1 1150 . 1 1 110 110 ILE CB C 13 41.703 0.000 . 1 . . . . . . . . 6081 1 1151 . 1 1 110 110 ILE HB H 1 1.828 0.004 . 1 . . . . . . . . 6081 1 1152 . 1 1 110 110 ILE HG21 H 1 0.472 0.004 . 1 . . . . . . . . 6081 1 1153 . 1 1 110 110 ILE HG22 H 1 0.472 0.004 . 1 . . . . . . . . 6081 1 1154 . 1 1 110 110 ILE HG23 H 1 0.472 0.004 . 1 . . . . . . . . 6081 1 1155 . 1 1 110 110 ILE CG2 C 13 17.503 0.000 . 1 . . . . . . . . 6081 1 1156 . 1 1 110 110 ILE CG1 C 13 25.706 0.000 . 1 . . . . . . . . 6081 1 1157 . 1 1 110 110 ILE HG12 H 1 1.103 0.007 . 1 . . . . . . . . 6081 1 1158 . 1 1 110 110 ILE HG13 H 1 1.404 0.007 . 1 . . . . . . . . 6081 1 1159 . 1 1 110 110 ILE HD11 H 1 0.646 0.004 . 1 . . . . . . . . 6081 1 1160 . 1 1 110 110 ILE HD12 H 1 0.646 0.004 . 1 . . . . . . . . 6081 1 1161 . 1 1 110 110 ILE HD13 H 1 0.646 0.004 . 1 . . . . . . . . 6081 1 1162 . 1 1 110 110 ILE CD1 C 13 13.674 0.000 . 1 . . . . . . . . 6081 1 1163 . 1 1 110 110 ILE C C 13 175.731 0.000 . 1 . . . . . . . . 6081 1 1164 . 1 1 111 111 SER N N 15 119.736 0.000 . 1 . . . . . . . . 6081 1 1165 . 1 1 111 111 SER H H 1 9.012 0.000 . 1 . . . . . . . . 6081 1 1166 . 1 1 111 111 SER CA C 13 57.942 0.000 . 1 . . . . . . . . 6081 1 1167 . 1 1 111 111 SER HA H 1 4.713 0.011 . 1 . . . . . . . . 6081 1 1168 . 1 1 111 111 SER CB C 13 64.294 0.000 . 1 . . . . . . . . 6081 1 1169 . 1 1 111 111 SER HB2 H 1 4.167 0.004 . 1 . . . . . . . . 6081 1 1170 . 1 1 111 111 SER HB3 H 1 4.574 0.003 . 1 . . . . . . . . 6081 1 1171 . 1 1 111 111 SER C C 13 176.017 0.000 . 1 . . . . . . . . 6081 1 1172 . 1 1 112 112 THR N N 15 111.996 0.000 . 1 . . . . . . . . 6081 1 1173 . 1 1 112 112 THR H H 1 8.345 0.000 . 1 . . . . . . . . 6081 1 1174 . 1 1 112 112 THR CA C 13 65.621 0.000 . 1 . . . . . . . . 6081 1 1175 . 1 1 112 112 THR HA H 1 4.331 0.000 . 1 . . . . . . . . 6081 1 1176 . 1 1 112 112 THR CB C 13 67.471 0.000 . 1 . . . . . . . . 6081 1 1177 . 1 1 112 112 THR HB H 1 3.818 0.005 . 1 . . . . . . . . 6081 1 1178 . 1 1 112 112 THR HG21 H 1 1.033 0.000 . 1 . . . . . . . . 6081 1 1179 . 1 1 112 112 THR HG22 H 1 1.033 0.000 . 1 . . . . . . . . 6081 1 1180 . 1 1 112 112 THR HG23 H 1 1.033 0.000 . 1 . . . . . . . . 6081 1 1181 . 1 1 112 112 THR C C 13 177.051 0.000 . 1 . . . . . . . . 6081 1 1182 . 1 1 113 113 ASP N N 15 120.961 0.000 . 1 . . . . . . . . 6081 1 1183 . 1 1 113 113 ASP H H 1 8.131 0.000 . 1 . . . . . . . . 6081 1 1184 . 1 1 113 113 ASP CA C 13 57.736 0.000 . 1 . . . . . . . . 6081 1 1185 . 1 1 113 113 ASP HA H 1 4.391 0.002 . 1 . . . . . . . . 6081 1 1186 . 1 1 113 113 ASP CB C 13 40.220 0.000 . 1 . . . . . . . . 6081 1 1187 . 1 1 113 113 ASP HB2 H 1 2.637 0.023 . 1 . . . . . . . . 6081 1 1188 . 1 1 113 113 ASP HB3 H 1 2.747 0.007 . 1 . . . . . . . . 6081 1 1189 . 1 1 113 113 ASP C C 13 178.778 0.000 . 1 . . . . . . . . 6081 1 1190 . 1 1 114 114 VAL N N 15 122.384 0.000 . 1 . . . . . . . . 6081 1 1191 . 1 1 114 114 VAL H H 1 7.607 0.000 . 1 . . . . . . . . 6081 1 1192 . 1 1 114 114 VAL CA C 13 66.302 0.000 . 1 . . . . . . . . 6081 1 1193 . 1 1 114 114 VAL HA H 1 3.785 0.002 . 1 . . . . . . . . 6081 1 1194 . 1 1 114 114 VAL CB C 13 31.325 0.000 . 1 . . . . . . . . 6081 1 1195 . 1 1 114 114 VAL HB H 1 2.125 0.006 . 1 . . . . . . . . 6081 1 1196 . 1 1 114 114 VAL HG11 H 1 1.110 0.001 . 1 . . . . . . . . 6081 1 1197 . 1 1 114 114 VAL HG12 H 1 1.110 0.001 . 1 . . . . . . . . 6081 1 1198 . 1 1 114 114 VAL HG13 H 1 1.110 0.001 . 1 . . . . . . . . 6081 1 1199 . 1 1 114 114 VAL HG21 H 1 0.889 0.002 . 1 . . . . . . . . 6081 1 1200 . 1 1 114 114 VAL HG22 H 1 0.889 0.002 . 1 . . . . . . . . 6081 1 1201 . 1 1 114 114 VAL HG23 H 1 0.889 0.002 . 1 . . . . . . . . 6081 1 1202 . 1 1 114 114 VAL CG1 C 13 23.451 0.000 . 1 . . . . . . . . 6081 1 1203 . 1 1 114 114 VAL CG2 C 13 21.848 0.000 . 1 . . . . . . . . 6081 1 1204 . 1 1 114 114 VAL C C 13 178.085 0.000 . 1 . . . . . . . . 6081 1 1205 . 1 1 115 115 MET N N 15 119.216 0.000 . 1 . . . . . . . . 6081 1 1206 . 1 1 115 115 MET H H 1 7.793 0.000 . 1 . . . . . . . . 6081 1 1207 . 1 1 115 115 MET CA C 13 56.905 0.000 . 1 . . . . . . . . 6081 1 1208 . 1 1 115 115 MET HA H 1 4.353 0.005 . 1 . . . . . . . . 6081 1 1209 . 1 1 115 115 MET CB C 13 33.796 0.000 . 1 . . . . . . . . 6081 1 1210 . 1 1 115 115 MET HB2 H 1 1.738 0.006 . 1 . . . . . . . . 6081 1 1211 . 1 1 115 115 MET HB3 H 1 2.378 0.004 . 1 . . . . . . . . 6081 1 1212 . 1 1 115 115 MET CG C 13 32.269 0.000 . 1 . . . . . . . . 6081 1 1213 . 1 1 115 115 MET HG2 H 1 2.780 0.003 . 1 . . . . . . . . 6081 1 1214 . 1 1 115 115 MET HG3 H 1 2.333 0.006 . 1 . . . . . . . . 6081 1 1215 . 1 1 115 115 MET C C 13 177.408 0.000 . 1 . . . . . . . . 6081 1 1216 . 1 1 116 116 ARG N N 15 118.397 0.000 . 1 . . . . . . . . 6081 1 1217 . 1 1 116 116 ARG H H 1 8.366 0.000 . 1 . . . . . . . . 6081 1 1218 . 1 1 116 116 ARG CA C 13 60.626 0.000 . 1 . . . . . . . . 6081 1 1219 . 1 1 116 116 ARG HA H 1 3.754 0.004 . 1 . . . . . . . . 6081 1 1220 . 1 1 116 116 ARG CB C 13 30.690 0.000 . 1 . . . . . . . . 6081 1 1221 . 1 1 116 116 ARG HB2 H 1 1.995 0.003 . 1 . . . . . . . . 6081 1 1222 . 1 1 116 116 ARG CG C 13 29.510 0.000 . 1 . . . . . . . . 6081 1 1223 . 1 1 116 116 ARG HG2 H 1 1.743 0.011 . 1 . . . . . . . . 6081 1 1224 . 1 1 116 116 ARG HG3 H 1 1.546 0.002 . 1 . . . . . . . . 6081 1 1225 . 1 1 116 116 ARG CD C 13 43.407 0.000 . 1 . . . . . . . . 6081 1 1226 . 1 1 116 116 ARG HD2 H 1 3.243 0.005 . 1 . . . . . . . . 6081 1 1227 . 1 1 116 116 ARG NE N 15 124.202 0.000 . 1 . . . . . . . . 6081 1 1228 . 1 1 116 116 ARG HE H 1 7.441 0.000 . 1 . . . . . . . . 6081 1 1229 . 1 1 116 116 ARG C C 13 177.496 0.000 . 1 . . . . . . . . 6081 1 1230 . 1 1 117 117 GLU N N 15 118.156 0.000 . 1 . . . . . . . . 6081 1 1231 . 1 1 117 117 GLU H H 1 7.305 0.000 . 1 . . . . . . . . 6081 1 1232 . 1 1 117 117 GLU CA C 13 59.274 0.000 . 1 . . . . . . . . 6081 1 1233 . 1 1 117 117 GLU CB C 13 29.207 0.000 . 1 . . . . . . . . 6081 1 1234 . 1 1 117 117 GLU HB2 H 1 2.249 0.019 . 1 . . . . . . . . 6081 1 1235 . 1 1 117 117 GLU HG2 H 1 2.529 0.019 . 1 . . . . . . . . 6081 1 1236 . 1 1 117 117 GLU C C 13 179.441 0.000 . 1 . . . . . . . . 6081 1 1237 . 1 1 118 118 ILE N N 15 120.983 0.000 . 1 . . . . . . . . 6081 1 1238 . 1 1 118 118 ILE H H 1 7.944 0.000 . 1 . . . . . . . . 6081 1 1239 . 1 1 118 118 ILE CA C 13 65.706 0.000 . 1 . . . . . . . . 6081 1 1240 . 1 1 118 118 ILE HA H 1 3.627 0.016 . 1 . . . . . . . . 6081 1 1241 . 1 1 118 118 ILE CB C 13 38.597 0.000 . 1 . . . . . . . . 6081 1 1242 . 1 1 118 118 ILE HB H 1 1.969 0.005 . 1 . . . . . . . . 6081 1 1243 . 1 1 118 118 ILE HG21 H 1 0.779 0.005 . 1 . . . . . . . . 6081 1 1244 . 1 1 118 118 ILE HG22 H 1 0.779 0.005 . 1 . . . . . . . . 6081 1 1245 . 1 1 118 118 ILE HG23 H 1 0.779 0.005 . 1 . . . . . . . . 6081 1 1246 . 1 1 118 118 ILE CG2 C 13 16.409 0.000 . 1 . . . . . . . . 6081 1 1247 . 1 1 118 118 ILE CG1 C 13 28.987 0.000 . 1 . . . . . . . . 6081 1 1248 . 1 1 118 118 ILE HG12 H 1 0.613 0.008 . 1 . . . . . . . . 6081 1 1249 . 1 1 118 118 ILE HG13 H 1 1.578 0.009 . 1 . . . . . . . . 6081 1 1250 . 1 1 118 118 ILE HD11 H 1 0.245 0.002 . 1 . . . . . . . . 6081 1 1251 . 1 1 118 118 ILE HD12 H 1 0.245 0.002 . 1 . . . . . . . . 6081 1 1252 . 1 1 118 118 ILE HD13 H 1 0.245 0.002 . 1 . . . . . . . . 6081 1 1253 . 1 1 118 118 ILE CD1 C 13 14.221 0.000 . 1 . . . . . . . . 6081 1 1254 . 1 1 118 118 ILE C C 13 178.959 0.000 . 1 . . . . . . . . 6081 1 1255 . 1 1 119 119 LEU N N 15 118.377 0.000 . 1 . . . . . . . . 6081 1 1256 . 1 1 119 119 LEU H H 1 8.057 0.000 . 1 . . . . . . . . 6081 1 1257 . 1 1 119 119 LEU CA C 13 57.770 0.000 . 1 . . . . . . . . 6081 1 1258 . 1 1 119 119 LEU HA H 1 3.892 0.004 . 1 . . . . . . . . 6081 1 1259 . 1 1 119 119 LEU CB C 13 41.985 0.000 . 1 . . . . . . . . 6081 1 1260 . 1 1 119 119 LEU HB2 H 1 1.898 0.002 . 1 . . . . . . . . 6081 1 1261 . 1 1 119 119 LEU HB3 H 1 1.233 0.007 . 1 . . . . . . . . 6081 1 1262 . 1 1 119 119 LEU HD11 H 1 0.837 0.019 . 1 . . . . . . . . 6081 1 1263 . 1 1 119 119 LEU HD12 H 1 0.837 0.019 . 1 . . . . . . . . 6081 1 1264 . 1 1 119 119 LEU HD13 H 1 0.837 0.019 . 1 . . . . . . . . 6081 1 1265 . 1 1 119 119 LEU HD21 H 1 0.769 0.004 . 1 . . . . . . . . 6081 1 1266 . 1 1 119 119 LEU HD22 H 1 0.769 0.004 . 1 . . . . . . . . 6081 1 1267 . 1 1 119 119 LEU HD23 H 1 0.769 0.004 . 1 . . . . . . . . 6081 1 1268 . 1 1 119 119 LEU C C 13 178.656 0.000 . 1 . . . . . . . . 6081 1 1269 . 1 1 120 120 ALA N N 15 119.969 0.000 . 1 . . . . . . . . 6081 1 1270 . 1 1 120 120 ALA H H 1 8.067 0.000 . 1 . . . . . . . . 6081 1 1271 . 1 1 120 120 ALA CA C 13 54.020 0.000 . 1 . . . . . . . . 6081 1 1272 . 1 1 120 120 ALA HA H 1 4.139 0.002 . 1 . . . . . . . . 6081 1 1273 . 1 1 120 120 ALA HB1 H 1 1.458 0.000 . 1 . . . . . . . . 6081 1 1274 . 1 1 120 120 ALA HB2 H 1 1.458 0.000 . 1 . . . . . . . . 6081 1 1275 . 1 1 120 120 ALA HB3 H 1 1.458 0.000 . 1 . . . . . . . . 6081 1 1276 . 1 1 120 120 ALA CB C 13 18.605 0.000 . 1 . . . . . . . . 6081 1 1277 . 1 1 120 120 ALA C C 13 179.387 0.000 . 1 . . . . . . . . 6081 1 1278 . 1 1 121 121 GLU N N 15 116.044 0.000 . 1 . . . . . . . . 6081 1 1279 . 1 1 121 121 GLU H H 1 7.543 0.000 . 1 . . . . . . . . 6081 1 1280 . 1 1 121 121 GLU CA C 13 57.979 0.000 . 1 . . . . . . . . 6081 1 1281 . 1 1 121 121 GLU HA H 1 4.083 0.019 . 1 . . . . . . . . 6081 1 1282 . 1 1 121 121 GLU CB C 13 29.419 0.000 . 1 . . . . . . . . 6081 1 1283 . 1 1 121 121 GLU C C 13 178.763 0.000 . 1 . . . . . . . . 6081 1 1284 . 1 1 122 122 LEU N N 15 119.492 0.000 . 1 . . . . . . . . 6081 1 1285 . 1 1 122 122 LEU H H 1 7.612 0.000 . 1 . . . . . . . . 6081 1 1286 . 1 1 122 122 LEU CA C 13 56.779 0.000 . 1 . . . . . . . . 6081 1 1287 . 1 1 122 122 LEU HA H 1 4.166 0.005 . 1 . . . . . . . . 6081 1 1288 . 1 1 122 122 LEU CB C 13 42.621 0.000 . 1 . . . . . . . . 6081 1 1289 . 1 1 122 122 LEU HB2 H 1 1.868 0.004 . 1 . . . . . . . . 6081 1 1290 . 1 1 122 122 LEU CG C 13 25.681 0.000 . 1 . . . . . . . . 6081 1 1291 . 1 1 122 122 LEU HG H 1 1.505 0.008 . 1 . . . . . . . . 6081 1 1292 . 1 1 122 122 LEU HD11 H 1 0.874 0.006 . 1 . . . . . . . . 6081 1 1293 . 1 1 122 122 LEU HD12 H 1 0.874 0.006 . 1 . . . . . . . . 6081 1 1294 . 1 1 122 122 LEU HD13 H 1 0.874 0.006 . 1 . . . . . . . . 6081 1 1295 . 1 1 122 122 LEU HD21 H 1 0.828 0.008 . 1 . . . . . . . . 6081 1 1296 . 1 1 122 122 LEU HD22 H 1 0.828 0.008 . 1 . . . . . . . . 6081 1 1297 . 1 1 122 122 LEU HD23 H 1 0.828 0.008 . 1 . . . . . . . . 6081 1 1298 . 1 1 122 122 LEU CD1 C 13 23.518 0.000 . 1 . . . . . . . . 6081 1 1299 . 1 1 122 122 LEU C C 13 177.999 0.000 . 1 . . . . . . . . 6081 1 1300 . 1 1 123 123 ASP N N 15 117.379 0.000 . 1 . . . . . . . . 6081 1 1301 . 1 1 123 123 ASP H H 1 7.718 0.000 . 1 . . . . . . . . 6081 1 1302 . 1 1 123 123 ASP CA C 13 53.527 0.000 . 1 . . . . . . . . 6081 1 1303 . 1 1 123 123 ASP HA H 1 4.688 0.015 . 1 . . . . . . . . 6081 1 1304 . 1 1 123 123 ASP CB C 13 40.644 0.000 . 1 . . . . . . . . 6081 1 1305 . 1 1 123 123 ASP HB2 H 1 2.897 0.014 . 1 . . . . . . . . 6081 1 1306 . 1 1 123 123 ASP HB3 H 1 2.406 0.004 . 1 . . . . . . . . 6081 1 1307 . 1 1 123 123 ASP C C 13 175.286 0.000 . 1 . . . . . . . . 6081 1 1308 . 1 1 124 124 GLU N N 15 124.374 0.000 . 1 . . . . . . . . 6081 1 1309 . 1 1 124 124 GLU H H 1 8.903 0.000 . 1 . . . . . . . . 6081 1 1310 . 1 1 124 124 GLU CA C 13 57.700 0.000 . 1 . . . . . . . . 6081 1 1311 . 1 1 124 124 GLU HA H 1 4.490 0.003 . 1 . . . . . . . . 6081 1 1312 . 1 1 124 124 GLU CB C 13 29.207 0.000 . 1 . . . . . . . . 6081 1 1313 . 1 1 124 124 GLU HB2 H 1 2.156 0.007 . 1 . . . . . . . . 6081 1 1314 . 1 1 124 124 GLU CG C 13 36.097 0.000 . 1 . . . . . . . . 6081 1 1315 . 1 1 124 124 GLU HG2 H 1 2.428 0.005 . 1 . . . . . . . . 6081 1 1316 . 1 1 124 124 GLU C C 13 177.023 0.000 . 1 . . . . . . . . 6081 1 1317 . 1 1 125 125 THR N N 15 110.980 0.000 . 1 . . . . . . . . 6081 1 1318 . 1 1 125 125 THR H H 1 8.588 0.000 . 1 . . . . . . . . 6081 1 1319 . 1 1 125 125 THR CA C 13 62.526 0.000 . 1 . . . . . . . . 6081 1 1320 . 1 1 125 125 THR HA H 1 4.418 0.010 . 1 . . . . . . . . 6081 1 1321 . 1 1 125 125 THR CB C 13 69.588 0.000 . 1 . . . . . . . . 6081 1 1322 . 1 1 125 125 THR HB H 1 4.333 0.018 . 1 . . . . . . . . 6081 1 1323 . 1 1 125 125 THR HG21 H 1 1.249 0.019 . 1 . . . . . . . . 6081 1 1324 . 1 1 125 125 THR HG22 H 1 1.249 0.019 . 1 . . . . . . . . 6081 1 1325 . 1 1 125 125 THR HG23 H 1 1.249 0.019 . 1 . . . . . . . . 6081 1 1326 . 1 1 125 125 THR C C 13 175.610 0.000 . 1 . . . . . . . . 6081 1 1327 . 1 1 126 126 LEU N N 15 122.376 0.000 . 1 . . . . . . . . 6081 1 1328 . 1 1 126 126 LEU H H 1 6.961 0.000 . 1 . . . . . . . . 6081 1 1329 . 1 1 126 126 LEU CA C 13 55.106 0.000 . 1 . . . . . . . . 6081 1 1330 . 1 1 126 126 LEU HA H 1 4.457 0.002 . 1 . . . . . . . . 6081 1 1331 . 1 1 126 126 LEU CB C 13 42.550 0.000 . 1 . . . . . . . . 6081 1 1332 . 1 1 126 126 LEU HB2 H 1 1.312 0.003 . 1 . . . . . . . . 6081 1 1333 . 1 1 126 126 LEU HB3 H 1 1.843 0.007 . 1 . . . . . . . . 6081 1 1334 . 1 1 126 126 LEU CG C 13 27.347 0.000 . 1 . . . . . . . . 6081 1 1335 . 1 1 126 126 LEU HG H 1 1.659 0.007 . 1 . . . . . . . . 6081 1 1336 . 1 1 126 126 LEU HD11 H 1 0.807 0.006 . 1 . . . . . . . . 6081 1 1337 . 1 1 126 126 LEU HD12 H 1 0.807 0.006 . 1 . . . . . . . . 6081 1 1338 . 1 1 126 126 LEU HD13 H 1 0.807 0.006 . 1 . . . . . . . . 6081 1 1339 . 1 1 126 126 LEU HD21 H 1 0.939 0.002 . 1 . . . . . . . . 6081 1 1340 . 1 1 126 126 LEU HD22 H 1 0.939 0.002 . 1 . . . . . . . . 6081 1 1341 . 1 1 126 126 LEU HD23 H 1 0.939 0.002 . 1 . . . . . . . . 6081 1 1342 . 1 1 126 126 LEU CD1 C 13 22.972 0.000 . 1 . . . . . . . . 6081 1 1343 . 1 1 126 126 LEU C C 13 177.390 0.000 . 1 . . . . . . . . 6081 1 1344 . 1 1 127 127 SER N N 15 121.620 0.000 . 1 . . . . . . . . 6081 1 1345 . 1 1 127 127 SER H H 1 9.483 0.000 . 1 . . . . . . . . 6081 1 1346 . 1 1 127 127 SER CA C 13 56.704 0.000 . 1 . . . . . . . . 6081 1 1347 . 1 1 127 127 SER HA H 1 4.600 0.003 . 1 . . . . . . . . 6081 1 1348 . 1 1 127 127 SER CB C 13 66.059 0.000 . 1 . . . . . . . . 6081 1 1349 . 1 1 127 127 SER HB2 H 1 4.410 0.004 . 1 . . . . . . . . 6081 1 1350 . 1 1 127 127 SER C C 13 174.840 0.000 . 1 . . . . . . . . 6081 1 1351 . 1 1 128 128 SER N N 15 115.826 0.000 . 1 . . . . . . . . 6081 1 1352 . 1 1 128 128 SER H H 1 8.959 0.000 . 1 . . . . . . . . 6081 1 1353 . 1 1 128 128 SER CA C 13 62.242 0.000 . 1 . . . . . . . . 6081 1 1354 . 1 1 128 128 SER HA H 1 4.071 0.019 . 1 . . . . . . . . 6081 1 1355 . 1 1 128 128 SER CB C 13 61.329 0.000 . 1 . . . . . . . . 6081 1 1356 . 1 1 128 128 SER C C 13 178.477 0.000 . 1 . . . . . . . . 6081 1 1357 . 1 1 129 129 GLU N N 15 119.675 0.000 . 1 . . . . . . . . 6081 1 1358 . 1 1 129 129 GLU H H 1 8.413 0.000 . 1 . . . . . . . . 6081 1 1359 . 1 1 129 129 GLU CA C 13 59.748 0.000 . 1 . . . . . . . . 6081 1 1360 . 1 1 129 129 GLU HA H 1 4.127 0.001 . 1 . . . . . . . . 6081 1 1361 . 1 1 129 129 GLU CB C 13 28.954 0.000 . 1 . . . . . . . . 6081 1 1362 . 1 1 129 129 GLU HB2 H 1 1.992 0.005 . 1 . . . . . . . . 6081 1 1363 . 1 1 129 129 GLU CG C 13 37.738 0.000 . 1 . . . . . . . . 6081 1 1364 . 1 1 129 129 GLU HG2 H 1 2.386 0.015 . 1 . . . . . . . . 6081 1 1365 . 1 1 129 129 GLU C C 13 179.721 0.000 . 1 . . . . . . . . 6081 1 1366 . 1 1 130 130 ASP N N 15 122.469 0.000 . 1 . . . . . . . . 6081 1 1367 . 1 1 130 130 ASP H H 1 7.950 0.000 . 1 . . . . . . . . 6081 1 1368 . 1 1 130 130 ASP CA C 13 57.185 0.000 . 1 . . . . . . . . 6081 1 1369 . 1 1 130 130 ASP HA H 1 4.397 0.003 . 1 . . . . . . . . 6081 1 1370 . 1 1 130 130 ASP CB C 13 41.183 0.000 . 1 . . . . . . . . 6081 1 1371 . 1 1 130 130 ASP HB2 H 1 3.019 0.002 . 1 . . . . . . . . 6081 1 1372 . 1 1 130 130 ASP C C 13 180.252 0.000 . 1 . . . . . . . . 6081 1 1373 . 1 1 131 131 LEU N N 15 121.055 0.000 . 1 . . . . . . . . 6081 1 1374 . 1 1 131 131 LEU H H 1 8.372 0.000 . 1 . . . . . . . . 6081 1 1375 . 1 1 131 131 LEU CA C 13 58.206 0.000 . 1 . . . . . . . . 6081 1 1376 . 1 1 131 131 LEU HA H 1 3.959 0.008 . 1 . . . . . . . . 6081 1 1377 . 1 1 131 131 LEU CB C 13 41.873 0.000 . 1 . . . . . . . . 6081 1 1378 . 1 1 131 131 LEU HB2 H 1 1.234 0.003 . 1 . . . . . . . . 6081 1 1379 . 1 1 131 131 LEU HB3 H 1 2.104 0.004 . 1 . . . . . . . . 6081 1 1380 . 1 1 131 131 LEU CG C 13 25.803 0.000 . 1 . . . . . . . . 6081 1 1381 . 1 1 131 131 LEU HG H 1 1.672 0.002 . 1 . . . . . . . . 6081 1 1382 . 1 1 131 131 LEU HD11 H 1 0.903 0.006 . 1 . . . . . . . . 6081 1 1383 . 1 1 131 131 LEU HD12 H 1 0.903 0.006 . 1 . . . . . . . . 6081 1 1384 . 1 1 131 131 LEU HD13 H 1 0.903 0.006 . 1 . . . . . . . . 6081 1 1385 . 1 1 131 131 LEU HD21 H 1 0.855 0.006 . 1 . . . . . . . . 6081 1 1386 . 1 1 131 131 LEU HD22 H 1 0.855 0.006 . 1 . . . . . . . . 6081 1 1387 . 1 1 131 131 LEU HD23 H 1 0.855 0.006 . 1 . . . . . . . . 6081 1 1388 . 1 1 131 131 LEU C C 13 178.496 0.000 . 1 . . . . . . . . 6081 1 1389 . 1 1 132 132 ASP N N 15 119.183 0.000 . 1 . . . . . . . . 6081 1 1390 . 1 1 132 132 ASP H H 1 8.224 0.000 . 1 . . . . . . . . 6081 1 1391 . 1 1 132 132 ASP CA C 13 57.980 0.000 . 1 . . . . . . . . 6081 1 1392 . 1 1 132 132 ASP HA H 1 4.195 0.006 . 1 . . . . . . . . 6081 1 1393 . 1 1 132 132 ASP CB C 13 40.271 0.000 . 1 . . . . . . . . 6081 1 1394 . 1 1 132 132 ASP HB2 H 1 2.716 0.005 . 1 . . . . . . . . 6081 1 1395 . 1 1 132 132 ASP HB3 H 1 2.853 0.004 . 1 . . . . . . . . 6081 1 1396 . 1 1 132 132 ASP C C 13 178.852 0.000 . 1 . . . . . . . . 6081 1 1397 . 1 1 133 133 ALA N N 15 121.619 0.000 . 1 . . . . . . . . 6081 1 1398 . 1 1 133 133 ALA H H 1 7.589 0.000 . 1 . . . . . . . . 6081 1 1399 . 1 1 133 133 ALA CA C 13 54.853 0.000 . 1 . . . . . . . . 6081 1 1400 . 1 1 133 133 ALA HA H 1 4.204 0.005 . 1 . . . . . . . . 6081 1 1401 . 1 1 133 133 ALA HB1 H 1 1.539 0.003 . 1 . . . . . . . . 6081 1 1402 . 1 1 133 133 ALA HB2 H 1 1.539 0.003 . 1 . . . . . . . . 6081 1 1403 . 1 1 133 133 ALA HB3 H 1 1.539 0.003 . 1 . . . . . . . . 6081 1 1404 . 1 1 133 133 ALA CB C 13 18.053 0.000 . 1 . . . . . . . . 6081 1 1405 . 1 1 133 133 ALA C C 13 180.707 0.000 . 1 . . . . . . . . 6081 1 1406 . 1 1 134 134 MET N N 15 118.689 0.000 . 1 . . . . . . . . 6081 1 1407 . 1 1 134 134 MET H H 1 8.190 0.000 . 1 . . . . . . . . 6081 1 1408 . 1 1 134 134 MET CA C 13 59.179 0.000 . 1 . . . . . . . . 6081 1 1409 . 1 1 134 134 MET HA H 1 4.153 0.004 . 1 . . . . . . . . 6081 1 1410 . 1 1 134 134 MET CB C 13 33.161 0.000 . 1 . . . . . . . . 6081 1 1411 . 1 1 134 134 MET HB2 H 1 2.028 0.013 . 1 . . . . . . . . 6081 1 1412 . 1 1 134 134 MET HB3 H 1 2.162 0.004 . 1 . . . . . . . . 6081 1 1413 . 1 1 134 134 MET CG C 13 32.816 0.000 . 1 . . . . . . . . 6081 1 1414 . 1 1 134 134 MET HG2 H 1 2.488 0.006 . 1 . . . . . . . . 6081 1 1415 . 1 1 134 134 MET HG3 H 1 2.826 0.003 . 1 . . . . . . . . 6081 1 1416 . 1 1 134 134 MET C C 13 178.870 0.000 . 1 . . . . . . . . 6081 1 1417 . 1 1 135 135 ILE N N 15 119.462 0.000 . 1 . . . . . . . . 6081 1 1418 . 1 1 135 135 ILE H H 1 8.446 0.000 . 1 . . . . . . . . 6081 1 1419 . 1 1 135 135 ILE CA C 13 62.621 0.000 . 1 . . . . . . . . 6081 1 1420 . 1 1 135 135 ILE HA H 1 3.653 0.006 . 1 . . . . . . . . 6081 1 1421 . 1 1 135 135 ILE CB C 13 34.996 0.000 . 1 . . . . . . . . 6081 1 1422 . 1 1 135 135 ILE HB H 1 2.238 0.017 . 1 . . . . . . . . 6081 1 1423 . 1 1 135 135 ILE HG21 H 1 0.913 0.001 . 1 . . . . . . . . 6081 1 1424 . 1 1 135 135 ILE HG22 H 1 0.913 0.001 . 1 . . . . . . . . 6081 1 1425 . 1 1 135 135 ILE HG23 H 1 0.913 0.001 . 1 . . . . . . . . 6081 1 1426 . 1 1 135 135 ILE CG2 C 13 18.050 0.000 . 1 . . . . . . . . 6081 1 1427 . 1 1 135 135 ILE CG1 C 13 27.894 0.000 . 1 . . . . . . . . 6081 1 1428 . 1 1 135 135 ILE HG12 H 1 1.414 0.007 . 1 . . . . . . . . 6081 1 1429 . 1 1 135 135 ILE HG13 H 1 1.723 0.008 . 1 . . . . . . . . 6081 1 1430 . 1 1 135 135 ILE HD11 H 1 0.647 0.001 . 1 . . . . . . . . 6081 1 1431 . 1 1 135 135 ILE HD12 H 1 0.647 0.001 . 1 . . . . . . . . 6081 1 1432 . 1 1 135 135 ILE HD13 H 1 0.647 0.001 . 1 . . . . . . . . 6081 1 1433 . 1 1 135 135 ILE CD1 C 13 9.846 0.000 . 1 . . . . . . . . 6081 1 1434 . 1 1 135 135 ILE C C 13 176.891 0.000 . 1 . . . . . . . . 6081 1 1435 . 1 1 136 136 ASP N N 15 118.221 0.000 . 1 . . . . . . . . 6081 1 1436 . 1 1 136 136 ASP H H 1 7.468 0.000 . 1 . . . . . . . . 6081 1 1437 . 1 1 136 136 ASP CA C 13 57.000 0.000 . 1 . . . . . . . . 6081 1 1438 . 1 1 136 136 ASP HA H 1 4.392 0.000 . 1 . . . . . . . . 6081 1 1439 . 1 1 136 136 ASP CB C 13 40.785 0.000 . 1 . . . . . . . . 6081 1 1440 . 1 1 136 136 ASP HB2 H 1 2.720 0.003 . 1 . . . . . . . . 6081 1 1441 . 1 1 136 136 ASP C C 13 177.746 0.000 . 1 . . . . . . . . 6081 1 1442 . 1 1 137 137 GLU N N 15 116.653 0.000 . 1 . . . . . . . . 6081 1 1443 . 1 1 137 137 GLU H H 1 7.273 0.000 . 1 . . . . . . . . 6081 1 1444 . 1 1 137 137 GLU CA C 13 58.169 0.000 . 1 . . . . . . . . 6081 1 1445 . 1 1 137 137 GLU HA H 1 4.023 0.012 . 1 . . . . . . . . 6081 1 1446 . 1 1 137 137 GLU CB C 13 30.055 0.000 . 1 . . . . . . . . 6081 1 1447 . 1 1 137 137 GLU HB2 H 1 2.125 0.001 . 1 . . . . . . . . 6081 1 1448 . 1 1 137 137 GLU CG C 13 35.550 0.000 . 1 . . . . . . . . 6081 1 1449 . 1 1 137 137 GLU HG2 H 1 2.356 0.000 . 1 . . . . . . . . 6081 1 1450 . 1 1 137 137 GLU C C 13 178.264 0.000 . 1 . . . . . . . . 6081 1 1451 . 1 1 138 138 ILE N N 15 119.368 0.000 . 1 . . . . . . . . 6081 1 1452 . 1 1 138 138 ILE H H 1 8.318 0.000 . 1 . . . . . . . . 6081 1 1453 . 1 1 138 138 ILE CA C 13 64.135 0.000 . 1 . . . . . . . . 6081 1 1454 . 1 1 138 138 ILE HA H 1 3.732 0.007 . 1 . . . . . . . . 6081 1 1455 . 1 1 138 138 ILE CB C 13 39.797 0.000 . 1 . . . . . . . . 6081 1 1456 . 1 1 138 138 ILE HB H 1 1.679 0.008 . 1 . . . . . . . . 6081 1 1457 . 1 1 138 138 ILE HG21 H 1 0.878 0.028 . 1 . . . . . . . . 6081 1 1458 . 1 1 138 138 ILE HG22 H 1 0.878 0.028 . 1 . . . . . . . . 6081 1 1459 . 1 1 138 138 ILE HG23 H 1 0.878 0.028 . 1 . . . . . . . . 6081 1 1460 . 1 1 138 138 ILE CG2 C 13 18.596 0.000 . 1 . . . . . . . . 6081 1 1461 . 1 1 138 138 ILE CG1 C 13 28.987 0.000 . 1 . . . . . . . . 6081 1 1462 . 1 1 138 138 ILE HG12 H 1 0.951 0.002 . 1 . . . . . . . . 6081 1 1463 . 1 1 138 138 ILE HG13 H 1 1.921 0.006 . 1 . . . . . . . . 6081 1 1464 . 1 1 138 138 ILE HD11 H 1 0.813 0.002 . 1 . . . . . . . . 6081 1 1465 . 1 1 138 138 ILE HD12 H 1 0.813 0.002 . 1 . . . . . . . . 6081 1 1466 . 1 1 138 138 ILE HD13 H 1 0.813 0.002 . 1 . . . . . . . . 6081 1 1467 . 1 1 138 138 ILE CD1 C 13 16.409 0.000 . 1 . . . . . . . . 6081 1 1468 . 1 1 138 138 ILE C C 13 178.157 0.000 . 1 . . . . . . . . 6081 1 1469 . 1 1 139 139 ASP N N 15 117.534 0.000 . 1 . . . . . . . . 6081 1 1470 . 1 1 139 139 ASP H H 1 8.304 0.000 . 1 . . . . . . . . 6081 1 1471 . 1 1 139 139 ASP CA C 13 52.094 0.000 . 1 . . . . . . . . 6081 1 1472 . 1 1 139 139 ASP HA H 1 4.887 0.002 . 1 . . . . . . . . 6081 1 1473 . 1 1 139 139 ASP CB C 13 38.314 0.000 . 1 . . . . . . . . 6081 1 1474 . 1 1 139 139 ASP HB2 H 1 1.983 0.000 . 1 . . . . . . . . 6081 1 1475 . 1 1 139 139 ASP HB3 H 1 2.924 0.000 . 1 . . . . . . . . 6081 1 1476 . 1 1 139 139 ASP C C 13 177.568 0.000 . 1 . . . . . . . . 6081 1 1477 . 1 1 140 140 ALA N N 15 128.579 0.000 . 1 . . . . . . . . 6081 1 1478 . 1 1 140 140 ALA H H 1 8.026 0.000 . 1 . . . . . . . . 6081 1 1479 . 1 1 140 140 ALA CA C 13 54.743 0.000 . 1 . . . . . . . . 6081 1 1480 . 1 1 140 140 ALA HA H 1 4.118 0.003 . 1 . . . . . . . . 6081 1 1481 . 1 1 140 140 ALA HB1 H 1 1.562 0.005 . 1 . . . . . . . . 6081 1 1482 . 1 1 140 140 ALA HB2 H 1 1.562 0.005 . 1 . . . . . . . . 6081 1 1483 . 1 1 140 140 ALA HB3 H 1 1.562 0.005 . 1 . . . . . . . . 6081 1 1484 . 1 1 140 140 ALA CB C 13 19.183 0.000 . 1 . . . . . . . . 6081 1 1485 . 1 1 140 140 ALA C C 13 178.479 0.000 . 1 . . . . . . . . 6081 1 1486 . 1 1 141 141 ASP N N 15 113.167 0.000 . 1 . . . . . . . . 6081 1 1487 . 1 1 141 141 ASP H H 1 7.974 0.000 . 1 . . . . . . . . 6081 1 1488 . 1 1 141 141 ASP CA C 13 51.991 0.000 . 1 . . . . . . . . 6081 1 1489 . 1 1 141 141 ASP HA H 1 4.683 0.004 . 1 . . . . . . . . 6081 1 1490 . 1 1 141 141 ASP CB C 13 39.726 0.000 . 1 . . . . . . . . 6081 1 1491 . 1 1 141 141 ASP HB2 H 1 2.734 0.010 . 1 . . . . . . . . 6081 1 1492 . 1 1 141 141 ASP HB3 H 1 3.086 0.009 . 1 . . . . . . . . 6081 1 1493 . 1 1 141 141 ASP C C 13 177.604 0.000 . 1 . . . . . . . . 6081 1 1494 . 1 1 142 142 GLY N N 15 109.687 0.000 . 1 . . . . . . . . 6081 1 1495 . 1 1 142 142 GLY H H 1 8.014 0.000 . 1 . . . . . . . . 6081 1 1496 . 1 1 142 142 GLY CA C 13 47.105 0.000 . 1 . . . . . . . . 6081 1 1497 . 1 1 142 142 GLY HA2 H 1 3.830 0.000 . 1 . . . . . . . . 6081 1 1498 . 1 1 142 142 GLY C C 13 175.339 0.000 . 1 . . . . . . . . 6081 1 1499 . 1 1 143 143 SER N N 15 115.671 0.000 . 1 . . . . . . . . 6081 1 1500 . 1 1 143 143 SER H H 1 8.406 0.000 . 1 . . . . . . . . 6081 1 1501 . 1 1 143 143 SER CA C 13 60.032 0.000 . 1 . . . . . . . . 6081 1 1502 . 1 1 143 143 SER HA H 1 4.152 0.007 . 1 . . . . . . . . 6081 1 1503 . 1 1 143 143 SER CB C 13 64.929 0.000 . 1 . . . . . . . . 6081 1 1504 . 1 1 143 143 SER HB2 H 1 3.843 0.005 . 1 . . . . . . . . 6081 1 1505 . 1 1 143 143 SER C C 13 176.231 0.000 . 1 . . . . . . . . 6081 1 1506 . 1 1 144 144 GLY N N 15 116.726 0.000 . 1 . . . . . . . . 6081 1 1507 . 1 1 144 144 GLY H H 1 10.853 0.000 . 1 . . . . . . . . 6081 1 1508 . 1 1 144 144 GLY CA C 13 45.695 0.000 . 1 . . . . . . . . 6081 1 1509 . 1 1 144 144 GLY HA2 H 1 4.140 0.000 . 1 . . . . . . . . 6081 1 1510 . 1 1 144 144 GLY HA3 H 1 3.520 0.000 . 1 . . . . . . . . 6081 1 1511 . 1 1 144 144 GLY C C 13 173.003 0.000 . 1 . . . . . . . . 6081 1 1512 . 1 1 145 145 THR N N 15 108.638 0.000 . 1 . . . . . . . . 6081 1 1513 . 1 1 145 145 THR H H 1 7.698 0.000 . 1 . . . . . . . . 6081 1 1514 . 1 1 145 145 THR CA C 13 58.484 0.000 . 1 . . . . . . . . 6081 1 1515 . 1 1 145 145 THR HA H 1 4.651 0.001 . 1 . . . . . . . . 6081 1 1516 . 1 1 145 145 THR CB C 13 73.259 0.000 . 1 . . . . . . . . 6081 1 1517 . 1 1 145 145 THR HB H 1 3.780 0.004 . 1 . . . . . . . . 6081 1 1518 . 1 1 145 145 THR HG21 H 1 0.673 0.005 . 1 . . . . . . . . 6081 1 1519 . 1 1 145 145 THR HG22 H 1 0.673 0.005 . 1 . . . . . . . . 6081 1 1520 . 1 1 145 145 THR HG23 H 1 0.673 0.005 . 1 . . . . . . . . 6081 1 1521 . 1 1 145 145 THR C C 13 172.325 0.000 . 1 . . . . . . . . 6081 1 1522 . 1 1 146 146 VAL N N 15 128.758 0.000 . 1 . . . . . . . . 6081 1 1523 . 1 1 146 146 VAL H H 1 9.889 0.000 . 1 . . . . . . . . 6081 1 1524 . 1 1 146 146 VAL CA C 13 61.382 0.000 . 1 . . . . . . . . 6081 1 1525 . 1 1 146 146 VAL HA H 1 5.119 0.004 . 1 . . . . . . . . 6081 1 1526 . 1 1 146 146 VAL CB C 13 32.384 0.000 . 1 . . . . . . . . 6081 1 1527 . 1 1 146 146 VAL HB H 1 2.181 0.004 . 1 . . . . . . . . 6081 1 1528 . 1 1 146 146 VAL HG11 H 1 1.262 0.005 . 1 . . . . . . . . 6081 1 1529 . 1 1 146 146 VAL HG12 H 1 1.262 0.005 . 1 . . . . . . . . 6081 1 1530 . 1 1 146 146 VAL HG13 H 1 1.262 0.005 . 1 . . . . . . . . 6081 1 1531 . 1 1 146 146 VAL HG21 H 1 0.706 0.003 . 1 . . . . . . . . 6081 1 1532 . 1 1 146 146 VAL HG22 H 1 0.706 0.003 . 1 . . . . . . . . 6081 1 1533 . 1 1 146 146 VAL HG23 H 1 0.706 0.003 . 1 . . . . . . . . 6081 1 1534 . 1 1 146 146 VAL CG1 C 13 21.313 0.000 . 1 . . . . . . . . 6081 1 1535 . 1 1 146 146 VAL CG2 C 13 21.313 0.000 . 1 . . . . . . . . 6081 1 1536 . 1 1 146 146 VAL C C 13 175.036 0.000 . 1 . . . . . . . . 6081 1 1537 . 1 1 147 147 ASP N N 15 127.663 0.000 . 1 . . . . . . . . 6081 1 1538 . 1 1 147 147 ASP H H 1 8.832 0.000 . 1 . . . . . . . . 6081 1 1539 . 1 1 147 147 ASP CA C 13 52.748 0.000 . 1 . . . . . . . . 6081 1 1540 . 1 1 147 147 ASP HA H 1 5.289 0.005 . 1 . . . . . . . . 6081 1 1541 . 1 1 147 147 ASP CB C 13 41.844 0.000 . 1 . . . . . . . . 6081 1 1542 . 1 1 147 147 ASP HB2 H 1 3.352 0.006 . 1 . . . . . . . . 6081 1 1543 . 1 1 147 147 ASP HB3 H 1 2.765 0.014 . 1 . . . . . . . . 6081 1 1544 . 1 1 147 147 ASP C C 13 179.173 0.000 . 1 . . . . . . . . 6081 1 1545 . 1 1 148 148 PHE N N 15 117.584 0.000 . 1 . . . . . . . . 6081 1 1546 . 1 1 148 148 PHE H H 1 8.481 0.000 . 1 . . . . . . . . 6081 1 1547 . 1 1 148 148 PHE CA C 13 62.378 0.000 . 1 . . . . . . . . 6081 1 1548 . 1 1 148 148 PHE HA H 1 3.295 0.002 . 1 . . . . . . . . 6081 1 1549 . 1 1 148 148 PHE CB C 13 39.358 0.000 . 1 . . . . . . . . 6081 1 1550 . 1 1 148 148 PHE HB2 H 1 2.658 0.004 . 1 . . . . . . . . 6081 1 1551 . 1 1 148 148 PHE HB3 H 1 2.495 0.000 . 1 . . . . . . . . 6081 1 1552 . 1 1 148 148 PHE CD1 C 13 131.553 0.000 . 1 . . . . . . . . 6081 1 1553 . 1 1 148 148 PHE CE1 C 13 130.770 0.000 . 1 . . . . . . . . 6081 1 1554 . 1 1 148 148 PHE CZ C 13 129.727 0.000 . 1 . . . . . . . . 6081 1 1555 . 1 1 148 148 PHE HZ H 1 7.252 0.003 . 1 . . . . . . . . 6081 1 1556 . 1 1 148 148 PHE HD1 H 1 6.583 0.001 . 1 . . . . . . . . 6081 1 1557 . 1 1 148 148 PHE HE1 H 1 7.178 0.001 . 1 . . . . . . . . 6081 1 1558 . 1 1 148 148 PHE C C 13 179.815 0.000 . 1 . . . . . . . . 6081 1 1559 . 1 1 149 149 GLU N N 15 118.768 0.000 . 1 . . . . . . . . 6081 1 1560 . 1 1 149 149 GLU H H 1 8.143 0.000 . 1 . . . . . . . . 6081 1 1561 . 1 1 149 149 GLU CA C 13 60.640 0.000 . 1 . . . . . . . . 6081 1 1562 . 1 1 149 149 GLU HA H 1 3.704 0.001 . 1 . . . . . . . . 6081 1 1563 . 1 1 149 149 GLU CB C 13 28.931 0.000 . 1 . . . . . . . . 6081 1 1564 . 1 1 149 149 GLU HB2 H 1 2.170 0.003 . 1 . . . . . . . . 6081 1 1565 . 1 1 149 149 GLU HB3 H 1 2.039 0.004 . 1 . . . . . . . . 6081 1 1566 . 1 1 149 149 GLU CG C 13 37.738 0.000 . 1 . . . . . . . . 6081 1 1567 . 1 1 149 149 GLU HG2 H 1 2.316 0.008 . 1 . . . . . . . . 6081 1 1568 . 1 1 149 149 GLU C C 13 180.600 0.000 . 1 . . . . . . . . 6081 1 1569 . 1 1 150 150 GLU N N 15 122.672 0.000 . 1 . . . . . . . . 6081 1 1570 . 1 1 150 150 GLU H H 1 8.727 0.000 . 1 . . . . . . . . 6081 1 1571 . 1 1 150 150 GLU CA C 13 59.018 0.092 . 1 . . . . . . . . 6081 1 1572 . 1 1 150 150 GLU HA H 1 4.021 0.009 . 1 . . . . . . . . 6081 1 1573 . 1 1 150 150 GLU CB C 13 29.638 0.289 . 1 . . . . . . . . 6081 1 1574 . 1 1 150 150 GLU HB2 H 1 2.113 0.007 . 1 . . . . . . . . 6081 1 1575 . 1 1 150 150 GLU HB3 H 1 2.465 0.005 . 1 . . . . . . . . 6081 1 1576 . 1 1 150 150 GLU CG C 13 37.191 0.000 . 1 . . . . . . . . 6081 1 1577 . 1 1 150 150 GLU HG2 H 1 2.972 0.012 . 1 . . . . . . . . 6081 1 1578 . 1 1 150 150 GLU C C 13 179.405 0.000 . 1 . . . . . . . . 6081 1 1579 . 1 1 151 151 PHE N N 15 121.211 0.000 . 1 . . . . . . . . 6081 1 1580 . 1 1 151 151 PHE H H 1 8.622 0.000 . 1 . . . . . . . . 6081 1 1581 . 1 1 151 151 PHE CA C 13 61.169 0.000 . 1 . . . . . . . . 6081 1 1582 . 1 1 151 151 PHE HA H 1 3.936 0.001 . 1 . . . . . . . . 6081 1 1583 . 1 1 151 151 PHE CB C 13 40.220 0.000 . 1 . . . . . . . . 6081 1 1584 . 1 1 151 151 PHE HB2 H 1 3.079 0.002 . 1 . . . . . . . . 6081 1 1585 . 1 1 151 151 PHE CD1 C 13 131.292 0.000 . 1 . . . . . . . . 6081 1 1586 . 1 1 151 151 PHE CE1 C 13 131.031 0.000 . 1 . . . . . . . . 6081 1 1587 . 1 1 151 151 PHE HD1 H 1 6.988 0.002 . 1 . . . . . . . . 6081 1 1588 . 1 1 151 151 PHE HE1 H 1 7.295 0.003 . 1 . . . . . . . . 6081 1 1589 . 1 1 151 151 PHE C C 13 176.659 0.000 . 1 . . . . . . . . 6081 1 1590 . 1 1 152 152 MET N N 15 118.505 0.000 . 1 . . . . . . . . 6081 1 1591 . 1 1 152 152 MET H H 1 8.786 0.000 . 1 . . . . . . . . 6081 1 1592 . 1 1 152 152 MET CA C 13 58.011 0.000 . 1 . . . . . . . . 6081 1 1593 . 1 1 152 152 MET HA H 1 3.757 0.004 . 1 . . . . . . . . 6081 1 1594 . 1 1 152 152 MET CB C 13 31.396 0.000 . 1 . . . . . . . . 6081 1 1595 . 1 1 152 152 MET HB2 H 1 1.896 0.003 . 1 . . . . . . . . 6081 1 1596 . 1 1 152 152 MET HG2 H 1 3.028 0.002 . 1 . . . . . . . . 6081 1 1597 . 1 1 152 152 MET C C 13 178.906 0.000 . 1 . . . . . . . . 6081 1 1598 . 1 1 153 153 GLY N N 15 106.185 0.000 . 1 . . . . . . . . 6081 1 1599 . 1 1 153 153 GLY H H 1 7.805 0.000 . 1 . . . . . . . . 6081 1 1600 . 1 1 153 153 GLY CA C 13 46.958 0.000 . 1 . . . . . . . . 6081 1 1601 . 1 1 153 153 GLY HA2 H 1 3.910 0.000 . 1 . . . . . . . . 6081 1 1602 . 1 1 153 153 GLY HA3 H 1 3.700 0.000 . 1 . . . . . . . . 6081 1 1603 . 1 1 153 153 GLY C C 13 175.256 0.000 . 1 . . . . . . . . 6081 1 1604 . 1 1 154 154 VAL N N 15 117.634 0.000 . 1 . . . . . . . . 6081 1 1605 . 1 1 154 154 VAL H H 1 7.101 0.000 . 1 . . . . . . . . 6081 1 1606 . 1 1 154 154 VAL CA C 13 63.095 0.000 . 1 . . . . . . . . 6081 1 1607 . 1 1 154 154 VAL HA H 1 4.155 0.004 . 1 . . . . . . . . 6081 1 1608 . 1 1 154 154 VAL CB C 13 32.243 0.000 . 1 . . . . . . . . 6081 1 1609 . 1 1 154 154 VAL HB H 1 1.991 0.004 . 1 . . . . . . . . 6081 1 1610 . 1 1 154 154 VAL HG11 H 1 0.874 0.005 . 1 . . . . . . . . 6081 1 1611 . 1 1 154 154 VAL HG12 H 1 0.874 0.005 . 1 . . . . . . . . 6081 1 1612 . 1 1 154 154 VAL HG13 H 1 0.874 0.005 . 1 . . . . . . . . 6081 1 1613 . 1 1 154 154 VAL HG21 H 1 0.954 0.008 . 1 . . . . . . . . 6081 1 1614 . 1 1 154 154 VAL HG22 H 1 0.954 0.008 . 1 . . . . . . . . 6081 1 1615 . 1 1 154 154 VAL HG23 H 1 0.954 0.008 . 1 . . . . . . . . 6081 1 1616 . 1 1 154 154 VAL CG1 C 13 20.245 0.000 . 1 . . . . . . . . 6081 1 1617 . 1 1 154 154 VAL CG2 C 13 22.916 0.000 . 1 . . . . . . . . 6081 1 1618 . 1 1 154 154 VAL C C 13 177.113 0.000 . 1 . . . . . . . . 6081 1 1619 . 1 1 155 155 MET N N 15 118.445 0.000 . 1 . . . . . . . . 6081 1 1620 . 1 1 155 155 MET H H 1 7.590 0.000 . 1 . . . . . . . . 6081 1 1621 . 1 1 155 155 MET CA C 13 55.510 0.000 . 1 . . . . . . . . 6081 1 1622 . 1 1 155 155 MET HA H 1 4.382 0.003 . 1 . . . . . . . . 6081 1 1623 . 1 1 155 155 MET CB C 13 31.608 0.000 . 1 . . . . . . . . 6081 1 1624 . 1 1 155 155 MET HB2 H 1 1.879 0.003 . 1 . . . . . . . . 6081 1 1625 . 1 1 155 155 MET HB3 H 1 1.506 0.012 . 1 . . . . . . . . 6081 1 1626 . 1 1 155 155 MET C C 13 177.461 0.000 . 1 . . . . . . . . 6081 1 1627 . 1 1 156 156 THR N N 15 109.640 0.000 . 1 . . . . . . . . 6081 1 1628 . 1 1 156 156 THR H H 1 7.677 0.000 . 1 . . . . . . . . 6081 1 1629 . 1 1 156 156 THR CA C 13 61.926 0.000 . 1 . . . . . . . . 6081 1 1630 . 1 1 156 156 THR HA H 1 4.431 0.000 . 1 . . . . . . . . 6081 1 1631 . 1 1 156 156 THR CB C 13 70.506 0.000 . 1 . . . . . . . . 6081 1 1632 . 1 1 156 156 THR HB H 1 4.331 0.000 . 1 . . . . . . . . 6081 1 1633 . 1 1 156 156 THR HG21 H 1 1.181 0.000 . 1 . . . . . . . . 6081 1 1634 . 1 1 156 156 THR HG22 H 1 1.181 0.000 . 1 . . . . . . . . 6081 1 1635 . 1 1 156 156 THR HG23 H 1 1.181 0.000 . 1 . . . . . . . . 6081 1 1636 . 1 1 156 156 THR CG2 C 13 21.633 0.000 . 1 . . . . . . . . 6081 1 1637 . 1 1 156 156 THR C C 13 177.033 0.000 . 1 . . . . . . . . 6081 1 1638 . 1 1 157 157 GLY N N 15 110.593 0.000 . 1 . . . . . . . . 6081 1 1639 . 1 1 157 157 GLY H H 1 7.859 0.000 . 1 . . . . . . . . 6081 1 1640 . 1 1 157 157 GLY CA C 13 45.764 0.000 . 1 . . . . . . . . 6081 1 1641 . 1 1 157 157 GLY HA2 H 1 4.010 0.000 . 1 . . . . . . . . 6081 1 1642 . 1 1 157 157 GLY C C 13 174.679 0.000 . 1 . . . . . . . . 6081 1 1643 . 1 1 158 158 GLY N N 15 109.076 0.000 . 1 . . . . . . . . 6081 1 1644 . 1 1 158 158 GLY H H 1 8.296 0.000 . 1 . . . . . . . . 6081 1 1645 . 1 1 158 158 GLY CA C 13 45.835 0.000 . 1 . . . . . . . . 6081 1 1646 . 1 1 158 158 GLY HA2 H 1 4.050 0.000 . 1 . . . . . . . . 6081 1 1647 . 1 1 158 158 GLY HA3 H 1 3.930 0.000 . 1 . . . . . . . . 6081 1 1648 . 1 1 158 158 GLY C C 13 173.915 0.000 . 1 . . . . . . . . 6081 1 1649 . 1 1 159 159 ASP N N 15 120.823 0.000 . 1 . . . . . . . . 6081 1 1650 . 1 1 159 159 ASP H H 1 8.318 0.000 . 1 . . . . . . . . 6081 1 1651 . 1 1 159 159 ASP CA C 13 54.316 0.000 . 1 . . . . . . . . 6081 1 1652 . 1 1 159 159 ASP HA H 1 4.670 0.006 . 1 . . . . . . . . 6081 1 1653 . 1 1 159 159 ASP CB C 13 41.209 0.000 . 1 . . . . . . . . 6081 1 1654 . 1 1 159 159 ASP HB2 H 1 2.715 0.002 . 1 . . . . . . . . 6081 1 1655 . 1 1 159 159 ASP HB3 H 1 2.586 0.005 . 1 . . . . . . . . 6081 1 1656 . 1 1 159 159 ASP C C 13 175.410 0.000 . 1 . . . . . . . . 6081 1 1657 . 1 1 160 160 GLU N N 15 125.780 0.000 . 1 . . . . . . . . 6081 1 1658 . 1 1 160 160 GLU H H 1 7.966 0.000 . 1 . . . . . . . . 6081 1 1659 . 1 1 160 160 GLU CA C 13 58.195 0.000 . 1 . . . . . . . . 6081 1 1660 . 1 1 160 160 GLU HA H 1 4.117 0.002 . 1 . . . . . . . . 6081 1 1661 . 1 1 160 160 GLU CB C 13 30.619 0.000 . 1 . . . . . . . . 6081 1 1662 . 1 1 160 160 GLU HB2 H 1 2.039 0.002 . 1 . . . . . . . . 6081 1 1663 . 1 1 160 160 GLU HB3 H 1 1.898 0.005 . 1 . . . . . . . . 6081 1 1664 . 1 1 160 160 GLU HG2 H 1 2.213 0.003 . 1 . . . . . . . . 6081 1 stop_ save_