data_4668 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4668 _Entry.Title ; Assignment of 1H, 13C and 15N Resonances of FKBP from Methanococcus thermolithotrophicus ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-02-15 _Entry.Accession_date 2000-02-16 _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 Rintaro Suzuki . . . 4668 2 Koji Nagata . . . 4668 3 Masaru Kawakami . . . 4668 4 Nobuaki Nemoto . . . 4668 5 Masahiro Furutani . . . 4668 6 Kyoko Adachi . . . 4668 7 Tadashi Maruyama . . . 4668 8 Masaru Tanokura . . . 4668 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4668 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 637 4668 '1H chemical shifts' 1029 4668 '15N chemical shifts' 151 4668 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 . . 2004-10-25 . update BMRB 'correction of typo in journal name' 4668 2 . . 2001-05-03 . original author 'original release' 4668 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4668 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20377253 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of 1H, 13C and 15N Resonances of FKBP from Methanococcus thermolithotrophicus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 17 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 183 _Citation.Page_last 184 _Citation.Year 2000 _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 Rintaro Suzuki . . . 4668 1 2 Koji Nagata . . . 4668 1 3 Masaru Kawakami . . . 4668 1 4 Nobuaki Nemoto . . . 4668 1 5 Masahiro Furutani . . . 4668 1 6 Kyoko Adachi . . . 4668 1 7 Tadashi Maruyama . . . 4668 1 8 Masaru Tanokura . . . 4668 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID PPIase 4668 1 FKBP 4668 1 'thermophilic archaeon' 4668 1 'NMR assignments' 4668 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4668 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 98101478 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 4668 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20098303 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MTFK _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MTFK _Assembly.Entry_ID 4668 _Assembly.ID 1 _Assembly.Name 'FK506 binding protein from Methanococcus thermolithotrophicus' _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 5.2.1.8 _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 4668 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 MTFK 1 $MTFK . . . native . . . . . 4668 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'FK506 binding protein from Methanococcus thermolithotrophicus' system 4668 1 MTFK abbreviation 4668 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; peptidylprolyl cis-trans isomerase chaperone ; 4668 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MTFK _Entity.Sf_category entity _Entity.Sf_framecode MTFK _Entity.Entry_ID 4668 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'FK506 binding protein from Methanococcus thermolithotrophicus' _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 ; MVDKGVKIKVDYIGKLESGD VFDTSIEEVAKEAGIYAPDR EYEPLEFVVGEGQLIQGFEE AVLDMEVGDEKTVKIPAEKA YGNRNEMLIQKIPRDAFKEA DFEPEEGMVILAEGIPATIT EVTDNEVTLDFNHELAGKDL VFTIKIIEVVE ; _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 151 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16810.09 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1IX5 . "Solution Structure Of The Methanococcus Thermolithotrophicus Fkbp" . . . . . 99.34 151 100.00 100.00 2.93e-98 . . . . 4668 1 2 no DBJ BAA24446 . "peptidyl prolyl cis-trans isomerase [Methanothermococcus thermolithotrophicus]" . . . . . 100.00 154 99.34 100.00 1.12e-98 . . . . 4668 1 3 no REF WP_018154854 . "peptidyl-prolyl cis-trans isomerase [Methanothermococcus thermolithotrophicus]" . . . . . 100.00 151 100.00 100.00 3.59e-99 . . . . 4668 1 4 no SP O52980 . "RecName: Full=FKBP-type peptidyl-prolyl cis-trans isomerase; Short=PPIase; AltName: Full=MtFK; AltName: Full=Rotamase" . . . . . 100.00 154 99.34 100.00 1.12e-98 . . . . 4668 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FK506 binding protein from Methanococcus thermolithotrophicus' common 4668 1 MTFK abbreviation 4668 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 4668 1 2 5 VAL . 4668 1 3 6 ASP . 4668 1 4 7 LYS . 4668 1 5 8 GLY . 4668 1 6 9 VAL . 4668 1 7 10 LYS . 4668 1 8 11 ILE . 4668 1 9 12 LYS . 4668 1 10 13 VAL . 4668 1 11 14 ASP . 4668 1 12 15 TYR . 4668 1 13 16 ILE . 4668 1 14 17 GLY . 4668 1 15 18 LYS . 4668 1 16 19 LEU . 4668 1 17 20 GLU . 4668 1 18 21 SER . 4668 1 19 22 GLY . 4668 1 20 23 ASP . 4668 1 21 24 VAL . 4668 1 22 25 PHE . 4668 1 23 26 ASP . 4668 1 24 27 THR . 4668 1 25 28 SER . 4668 1 26 29 ILE . 4668 1 27 30 GLU . 4668 1 28 31 GLU . 4668 1 29 32 VAL . 4668 1 30 33 ALA . 4668 1 31 34 LYS . 4668 1 32 35 GLU . 4668 1 33 36 ALA . 4668 1 34 37 GLY . 4668 1 35 38 ILE . 4668 1 36 39 TYR . 4668 1 37 40 ALA . 4668 1 38 41 PRO . 4668 1 39 42 ASP . 4668 1 40 43 ARG . 4668 1 41 44 GLU . 4668 1 42 45 TYR . 4668 1 43 46 GLU . 4668 1 44 47 PRO . 4668 1 45 48 LEU . 4668 1 46 49 GLU . 4668 1 47 50 PHE . 4668 1 48 51 VAL . 4668 1 49 52 VAL . 4668 1 50 53 GLY . 4668 1 51 54 GLU . 4668 1 52 55 GLY . 4668 1 53 56 GLN . 4668 1 54 57 LEU . 4668 1 55 58 ILE . 4668 1 56 59 GLN . 4668 1 57 60 GLY . 4668 1 58 61 PHE . 4668 1 59 62 GLU . 4668 1 60 63 GLU . 4668 1 61 64 ALA . 4668 1 62 65 VAL . 4668 1 63 66 LEU . 4668 1 64 67 ASP . 4668 1 65 68 MET . 4668 1 66 69 GLU . 4668 1 67 70 VAL . 4668 1 68 71 GLY . 4668 1 69 72 ASP . 4668 1 70 73 GLU . 4668 1 71 74 LYS . 4668 1 72 75 THR . 4668 1 73 76 VAL . 4668 1 74 77 LYS . 4668 1 75 78 ILE . 4668 1 76 79 PRO . 4668 1 77 80 ALA . 4668 1 78 81 GLU . 4668 1 79 82 LYS . 4668 1 80 83 ALA . 4668 1 81 84 TYR . 4668 1 82 85 GLY . 4668 1 83 86 ASN . 4668 1 84 87 ARG . 4668 1 85 88 ASN . 4668 1 86 89 GLU . 4668 1 87 90 MET . 4668 1 88 91 LEU . 4668 1 89 92 ILE . 4668 1 90 93 GLN . 4668 1 91 94 LYS . 4668 1 92 95 ILE . 4668 1 93 96 PRO . 4668 1 94 97 ARG . 4668 1 95 98 ASP . 4668 1 96 99 ALA . 4668 1 97 100 PHE . 4668 1 98 101 LYS . 4668 1 99 102 GLU . 4668 1 100 103 ALA . 4668 1 101 104 ASP . 4668 1 102 105 PHE . 4668 1 103 106 GLU . 4668 1 104 107 PRO . 4668 1 105 108 GLU . 4668 1 106 109 GLU . 4668 1 107 110 GLY . 4668 1 108 111 MET . 4668 1 109 112 VAL . 4668 1 110 113 ILE . 4668 1 111 114 LEU . 4668 1 112 115 ALA . 4668 1 113 116 GLU . 4668 1 114 117 GLY . 4668 1 115 118 ILE . 4668 1 116 119 PRO . 4668 1 117 120 ALA . 4668 1 118 121 THR . 4668 1 119 122 ILE . 4668 1 120 123 THR . 4668 1 121 124 GLU . 4668 1 122 125 VAL . 4668 1 123 126 THR . 4668 1 124 127 ASP . 4668 1 125 128 ASN . 4668 1 126 129 GLU . 4668 1 127 130 VAL . 4668 1 128 131 THR . 4668 1 129 132 LEU . 4668 1 130 133 ASP . 4668 1 131 134 PHE . 4668 1 132 135 ASN . 4668 1 133 136 HIS . 4668 1 134 137 GLU . 4668 1 135 138 LEU . 4668 1 136 139 ALA . 4668 1 137 140 GLY . 4668 1 138 141 LYS . 4668 1 139 142 ASP . 4668 1 140 143 LEU . 4668 1 141 144 VAL . 4668 1 142 145 PHE . 4668 1 143 146 THR . 4668 1 144 147 ILE . 4668 1 145 148 LYS . 4668 1 146 149 ILE . 4668 1 147 150 ILE . 4668 1 148 151 GLU . 4668 1 149 152 VAL . 4668 1 150 153 VAL . 4668 1 151 154 GLU . 4668 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4668 1 . VAL 2 2 4668 1 . ASP 3 3 4668 1 . LYS 4 4 4668 1 . GLY 5 5 4668 1 . VAL 6 6 4668 1 . LYS 7 7 4668 1 . ILE 8 8 4668 1 . LYS 9 9 4668 1 . VAL 10 10 4668 1 . ASP 11 11 4668 1 . TYR 12 12 4668 1 . ILE 13 13 4668 1 . GLY 14 14 4668 1 . LYS 15 15 4668 1 . LEU 16 16 4668 1 . GLU 17 17 4668 1 . SER 18 18 4668 1 . GLY 19 19 4668 1 . ASP 20 20 4668 1 . VAL 21 21 4668 1 . PHE 22 22 4668 1 . ASP 23 23 4668 1 . THR 24 24 4668 1 . SER 25 25 4668 1 . ILE 26 26 4668 1 . GLU 27 27 4668 1 . GLU 28 28 4668 1 . VAL 29 29 4668 1 . ALA 30 30 4668 1 . LYS 31 31 4668 1 . GLU 32 32 4668 1 . ALA 33 33 4668 1 . GLY 34 34 4668 1 . ILE 35 35 4668 1 . TYR 36 36 4668 1 . ALA 37 37 4668 1 . PRO 38 38 4668 1 . ASP 39 39 4668 1 . ARG 40 40 4668 1 . GLU 41 41 4668 1 . TYR 42 42 4668 1 . GLU 43 43 4668 1 . PRO 44 44 4668 1 . LEU 45 45 4668 1 . GLU 46 46 4668 1 . PHE 47 47 4668 1 . VAL 48 48 4668 1 . VAL 49 49 4668 1 . GLY 50 50 4668 1 . GLU 51 51 4668 1 . GLY 52 52 4668 1 . GLN 53 53 4668 1 . LEU 54 54 4668 1 . ILE 55 55 4668 1 . GLN 56 56 4668 1 . GLY 57 57 4668 1 . PHE 58 58 4668 1 . GLU 59 59 4668 1 . GLU 60 60 4668 1 . ALA 61 61 4668 1 . VAL 62 62 4668 1 . LEU 63 63 4668 1 . ASP 64 64 4668 1 . MET 65 65 4668 1 . GLU 66 66 4668 1 . VAL 67 67 4668 1 . GLY 68 68 4668 1 . ASP 69 69 4668 1 . GLU 70 70 4668 1 . LYS 71 71 4668 1 . THR 72 72 4668 1 . VAL 73 73 4668 1 . LYS 74 74 4668 1 . ILE 75 75 4668 1 . PRO 76 76 4668 1 . ALA 77 77 4668 1 . GLU 78 78 4668 1 . LYS 79 79 4668 1 . ALA 80 80 4668 1 . TYR 81 81 4668 1 . GLY 82 82 4668 1 . ASN 83 83 4668 1 . ARG 84 84 4668 1 . ASN 85 85 4668 1 . GLU 86 86 4668 1 . MET 87 87 4668 1 . LEU 88 88 4668 1 . ILE 89 89 4668 1 . GLN 90 90 4668 1 . LYS 91 91 4668 1 . ILE 92 92 4668 1 . PRO 93 93 4668 1 . ARG 94 94 4668 1 . ASP 95 95 4668 1 . ALA 96 96 4668 1 . PHE 97 97 4668 1 . LYS 98 98 4668 1 . GLU 99 99 4668 1 . ALA 100 100 4668 1 . ASP 101 101 4668 1 . PHE 102 102 4668 1 . GLU 103 103 4668 1 . PRO 104 104 4668 1 . GLU 105 105 4668 1 . GLU 106 106 4668 1 . GLY 107 107 4668 1 . MET 108 108 4668 1 . VAL 109 109 4668 1 . ILE 110 110 4668 1 . LEU 111 111 4668 1 . ALA 112 112 4668 1 . GLU 113 113 4668 1 . GLY 114 114 4668 1 . ILE 115 115 4668 1 . PRO 116 116 4668 1 . ALA 117 117 4668 1 . THR 118 118 4668 1 . ILE 119 119 4668 1 . THR 120 120 4668 1 . GLU 121 121 4668 1 . VAL 122 122 4668 1 . THR 123 123 4668 1 . ASP 124 124 4668 1 . ASN 125 125 4668 1 . GLU 126 126 4668 1 . VAL 127 127 4668 1 . THR 128 128 4668 1 . LEU 129 129 4668 1 . ASP 130 130 4668 1 . PHE 131 131 4668 1 . ASN 132 132 4668 1 . HIS 133 133 4668 1 . GLU 134 134 4668 1 . LEU 135 135 4668 1 . ALA 136 136 4668 1 . GLY 137 137 4668 1 . LYS 138 138 4668 1 . ASP 139 139 4668 1 . LEU 140 140 4668 1 . VAL 141 141 4668 1 . PHE 142 142 4668 1 . THR 143 143 4668 1 . ILE 144 144 4668 1 . LYS 145 145 4668 1 . ILE 146 146 4668 1 . ILE 147 147 4668 1 . GLU 148 148 4668 1 . VAL 149 149 4668 1 . VAL 150 150 4668 1 . GLU 151 151 4668 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 4668 _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 $MTFK . 2186 organism . 'Methanococcus thermolithotrophicus' 'Methanococcus thermolithotrophicus' . . Archaea . Methanococcus thermolithotrophicus DSM2095 . . . . . . . . . . . . . . . . . . . . 4668 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 4668 _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 $MTFK . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3)/pLysS . . . . . . . . . . . . plasmid . . pET-11d . . . . . . 4668 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4668 _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 'FK506 binding protein from Methanococcus thermolithotrophicus' [U-15N] . . 1 $MTFK . . 4.5 . . mM . . . . 4668 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4668 _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 'FK506 binding protein from Methanococcus thermolithotrophicus' '[U-13C; U-15N]' . . 1 $MTFK . . 8.0 . . mM . . . . 4668 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond _Sample_condition_list.Entry_ID 4668 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 7.0 0.2 pH 4668 1 temperature 298 1 K 4668 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 4668 _Software.ID 1 _Software.Name nmrPipe _Software.Version 1.7 _Software.Details . save_ save_P-ROI_system _Software.Sf_category software _Software.Sf_framecode P-ROI_system _Software.Entry_ID 4668 _Software.ID 2 _Software.Name 'P-ROI system' _Software.Version 1.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral analysis on papers' 4668 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 4668 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.76 _Software.Details . save_ save_CSI _Software.Sf_category software _Software.Sf_framecode CSI _Software.Entry_ID 4668 _Software.ID 4 _Software.Name CSI _Software.Version 1.0 _Software.Details . save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 4668 _Software.ID 5 _Software.Name TALOS _Software.Version 98.040.21.02 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4668 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 4668 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4668 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 . . . 4668 1 2 spectrometer_2 Varian INOVA . 750 . . . 4668 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 4668 _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 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . 1 $Ex-cond . . . . . . . . . . . . . . . . . . . . . 4668 1 2 '3D 1H-1H-15N NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond . . . . . . . . . . . . . . . . . . . . . 4668 1 3 '3D 1H-1H-15N TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond . . . . . . . . . . . . . . . . . . . . . 4668 1 4 '3D HNCA' . . . . . . . . . . . . . . . . 1 $Ex-cond . . . . . . . . . . . . . . . . . . . . . 4668 1 5 '3D HNCACB' . . . . . . . . . . . . . . . . 1 $Ex-cond . . . . . . . . . . . . . . . . . . . . . 4668 1 6 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . 1 $Ex-cond . . . . . . . . . . . . . . . . . . . . . 4668 1 7 '3D HNCO' . . . . . . . . . . . . . . . . 1 $Ex-cond . . . . . . . . . . . . . . . . . . . . . 4668 1 8 '3D (HCA)CO(CA)NH' . . . . . . . . . . . . . . . . 1 $Ex-cond . . . . . . . . . . . . . . . . . . . . . 4668 1 9 '3D H(CCO)NH' . . . . . . . . . . . . . . . . 1 $Ex-cond . . . . . . . . . . . . . . . . . . . . . 4668 1 10 '3D C(CO)NH' . . . . . . . . . . . . . . . . 1 $Ex-cond . . . . . . . . . . . . . . . . . . . . . 4668 1 11 '3D 1H-13C-1H DE-H(C)CH-TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond . . . . . . . . . . . . . . . . . . . . . 4668 1 stop_ 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 4668 _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 . . . . . . . . . 4668 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4668 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4668 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_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4668 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 2 $sample_2 . 4668 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 172.897 0.009 . 1 . . . . . . . . 4668 1 2 . 1 1 1 1 MET CA C 13 55.305 0.054 . 1 . . . . . . . . 4668 1 3 . 1 1 1 1 MET CB C 13 33.409 0.041 . 1 . . . . . . . . 4668 1 4 . 1 1 1 1 MET CG C 13 31.065 0.087 . 1 . . . . . . . . 4668 1 5 . 1 1 1 1 MET HA H 1 4.115 0.004 . 1 . . . . . . . . 4668 1 6 . 1 1 1 1 MET HB2 H 1 2.169 0.000 . 2 . . . . . . . . 4668 1 7 . 1 1 1 1 MET HB3 H 1 2.107 0.000 . 2 . . . . . . . . 4668 1 8 . 1 1 1 1 MET HG2 H 1 2.567 0.005 . 1 . . . . . . . . 4668 1 9 . 1 1 1 1 MET HG3 H 1 2.567 0.005 . 1 . . . . . . . . 4668 1 10 . 1 1 2 2 VAL C C 13 173.868 0.014 . 1 . . . . . . . . 4668 1 11 . 1 1 2 2 VAL CA C 13 64.514 0.058 . 1 . . . . . . . . 4668 1 12 . 1 1 2 2 VAL CB C 13 32.126 0.100 . 1 . . . . . . . . 4668 1 13 . 1 1 2 2 VAL CG1 C 13 21.892 0.132 . 2 . . . . . . . . 4668 1 14 . 1 1 2 2 VAL CG2 C 13 23.619 0.118 . 2 . . . . . . . . 4668 1 15 . 1 1 2 2 VAL H H 1 8.823 0.004 . 1 . . . . . . . . 4668 1 16 . 1 1 2 2 VAL HA H 1 3.701 0.006 . 1 . . . . . . . . 4668 1 17 . 1 1 2 2 VAL HB H 1 2.286 0.010 . 1 . . . . . . . . 4668 1 18 . 1 1 2 2 VAL HG11 H 1 0.900 0.000 . 2 . . . . . . . . 4668 1 19 . 1 1 2 2 VAL HG12 H 1 0.900 0.000 . 2 . . . . . . . . 4668 1 20 . 1 1 2 2 VAL HG13 H 1 0.900 0.000 . 2 . . . . . . . . 4668 1 21 . 1 1 2 2 VAL HG21 H 1 0.835 0.001 . 2 . . . . . . . . 4668 1 22 . 1 1 2 2 VAL HG22 H 1 0.835 0.001 . 2 . . . . . . . . 4668 1 23 . 1 1 2 2 VAL HG23 H 1 0.835 0.001 . 2 . . . . . . . . 4668 1 24 . 1 1 2 2 VAL N N 15 123.204 0.032 . 1 . . . . . . . . 4668 1 25 . 1 1 3 3 ASP C C 13 174.723 0.008 . 1 . . . . . . . . 4668 1 26 . 1 1 3 3 ASP CA C 13 51.927 0.020 . 1 . . . . . . . . 4668 1 27 . 1 1 3 3 ASP CB C 13 43.819 0.049 . 1 . . . . . . . . 4668 1 28 . 1 1 3 3 ASP H H 1 7.101 0.003 . 1 . . . . . . . . 4668 1 29 . 1 1 3 3 ASP HA H 1 4.882 0.007 . 1 . . . . . . . . 4668 1 30 . 1 1 3 3 ASP HB2 H 1 2.683 0.003 . 2 . . . . . . . . 4668 1 31 . 1 1 3 3 ASP HB3 H 1 2.539 0.011 . 2 . . . . . . . . 4668 1 32 . 1 1 3 3 ASP N N 15 124.754 0.033 . 1 . . . . . . . . 4668 1 33 . 1 1 4 4 LYS C C 13 177.892 0.021 . 1 . . . . . . . . 4668 1 34 . 1 1 4 4 LYS CA C 13 58.300 0.065 . 1 . . . . . . . . 4668 1 35 . 1 1 4 4 LYS CB C 13 32.461 0.079 . 1 . . . . . . . . 4668 1 36 . 1 1 4 4 LYS CD C 13 29.514 0.081 . 1 . . . . . . . . 4668 1 37 . 1 1 4 4 LYS CE C 13 42.204 0.015 . 1 . . . . . . . . 4668 1 38 . 1 1 4 4 LYS CG C 13 26.154 0.079 . 1 . . . . . . . . 4668 1 39 . 1 1 4 4 LYS H H 1 8.801 0.002 . 1 . . . . . . . . 4668 1 40 . 1 1 4 4 LYS HA H 1 3.761 0.005 . 1 . . . . . . . . 4668 1 41 . 1 1 4 4 LYS HG2 H 1 1.613 0.006 . 2 . . . . . . . . 4668 1 42 . 1 1 4 4 LYS HG3 H 1 1.386 0.010 . 2 . . . . . . . . 4668 1 43 . 1 1 4 4 LYS N N 15 119.033 0.046 . 1 . . . . . . . . 4668 1 44 . 1 1 4 4 LYS HB2 H 1 1.800 0.002 . 1 . . . . . . . . 4668 1 45 . 1 1 4 4 LYS HB3 H 1 1.800 0.002 . 1 . . . . . . . . 4668 1 46 . 1 1 4 4 LYS HD2 H 1 1.780 0.000 . 1 . . . . . . . . 4668 1 47 . 1 1 4 4 LYS HD3 H 1 1.780 0.000 . 1 . . . . . . . . 4668 1 48 . 1 1 4 4 LYS HE2 H 1 3.070 0.009 . 1 . . . . . . . . 4668 1 49 . 1 1 4 4 LYS HE3 H 1 3.070 0.009 . 1 . . . . . . . . 4668 1 50 . 1 1 5 5 GLY C C 13 173.835 0.009 . 1 . . . . . . . . 4668 1 51 . 1 1 5 5 GLY CA C 13 45.145 0.080 . 1 . . . . . . . . 4668 1 52 . 1 1 5 5 GLY H H 1 9.040 0.003 . 1 . . . . . . . . 4668 1 53 . 1 1 5 5 GLY HA2 H 1 3.530 0.008 . 2 . . . . . . . . 4668 1 54 . 1 1 5 5 GLY HA3 H 1 4.356 0.005 . 2 . . . . . . . . 4668 1 55 . 1 1 5 5 GLY N N 15 111.430 0.049 . 1 . . . . . . . . 4668 1 56 . 1 1 6 6 VAL C C 13 173.475 0.002 . 1 . . . . . . . . 4668 1 57 . 1 1 6 6 VAL CA C 13 61.929 0.053 . 1 . . . . . . . . 4668 1 58 . 1 1 6 6 VAL CB C 13 32.843 0.072 . 1 . . . . . . . . 4668 1 59 . 1 1 6 6 VAL CG1 C 13 22.146 0.116 . 1 . . . . . . . . 4668 1 60 . 1 1 6 6 VAL CG2 C 13 22.146 0.116 . 1 . . . . . . . . 4668 1 61 . 1 1 6 6 VAL H H 1 7.461 0.003 . 1 . . . . . . . . 4668 1 62 . 1 1 6 6 VAL HA H 1 4.161 0.007 . 1 . . . . . . . . 4668 1 63 . 1 1 6 6 VAL HB H 1 2.196 0.007 . 1 . . . . . . . . 4668 1 64 . 1 1 6 6 VAL N N 15 120.124 0.057 . 1 . . . . . . . . 4668 1 65 . 1 1 6 6 VAL HG11 H 1 1.033 0.004 . 1 . . . . . . . . 4668 1 66 . 1 1 6 6 VAL HG12 H 1 1.033 0.004 . 1 . . . . . . . . 4668 1 67 . 1 1 6 6 VAL HG13 H 1 1.033 0.004 . 1 . . . . . . . . 4668 1 68 . 1 1 6 6 VAL HG21 H 1 1.033 0.004 . 1 . . . . . . . . 4668 1 69 . 1 1 6 6 VAL HG22 H 1 1.033 0.004 . 1 . . . . . . . . 4668 1 70 . 1 1 6 6 VAL HG23 H 1 1.033 0.004 . 1 . . . . . . . . 4668 1 71 . 1 1 7 7 LYS C C 13 174.915 0.011 . 1 . . . . . . . . 4668 1 72 . 1 1 7 7 LYS CA C 13 55.333 0.040 . 1 . . . . . . . . 4668 1 73 . 1 1 7 7 LYS CB C 13 33.412 0.070 . 1 . . . . . . . . 4668 1 74 . 1 1 7 7 LYS CD C 13 29.285 0.074 . 1 . . . . . . . . 4668 1 75 . 1 1 7 7 LYS CG C 13 25.154 0.145 . 1 . . . . . . . . 4668 1 76 . 1 1 7 7 LYS H H 1 8.758 0.003 . 1 . . . . . . . . 4668 1 77 . 1 1 7 7 LYS HA H 1 4.931 0.006 . 1 . . . . . . . . 4668 1 78 . 1 1 7 7 LYS HB2 H 1 1.960 0.004 . 2 . . . . . . . . 4668 1 79 . 1 1 7 7 LYS HB3 H 1 1.676 0.008 . 2 . . . . . . . . 4668 1 80 . 1 1 7 7 LYS N N 15 128.103 0.028 . 1 . . . . . . . . 4668 1 81 . 1 1 7 7 LYS HD2 H 1 1.533 0.009 . 1 . . . . . . . . 4668 1 82 . 1 1 7 7 LYS HD3 H 1 1.533 0.009 . 1 . . . . . . . . 4668 1 83 . 1 1 7 7 LYS HG2 H 1 1.148 0.009 . 1 . . . . . . . . 4668 1 84 . 1 1 7 7 LYS HG3 H 1 1.148 0.009 . 1 . . . . . . . . 4668 1 85 . 1 1 8 8 ILE C C 13 173.520 0.001 . 1 . . . . . . . . 4668 1 86 . 1 1 8 8 ILE CA C 13 58.696 0.053 . 1 . . . . . . . . 4668 1 87 . 1 1 8 8 ILE CB C 13 42.483 0.068 . 1 . . . . . . . . 4668 1 88 . 1 1 8 8 ILE CD1 C 13 15.351 0.038 . 1 . . . . . . . . 4668 1 89 . 1 1 8 8 ILE CG1 C 13 24.560 0.101 . 1 . . . . . . . . 4668 1 90 . 1 1 8 8 ILE CG2 C 13 19.235 0.073 . 1 . . . . . . . . 4668 1 91 . 1 1 8 8 ILE H H 1 8.601 0.003 . 1 . . . . . . . . 4668 1 92 . 1 1 8 8 ILE HA H 1 5.219 0.005 . 1 . . . . . . . . 4668 1 93 . 1 1 8 8 ILE HB H 1 1.709 0.006 . 1 . . . . . . . . 4668 1 94 . 1 1 8 8 ILE HD11 H 1 0.590 0.004 . 1 . . . . . . . . 4668 1 95 . 1 1 8 8 ILE HD12 H 1 0.590 0.004 . 1 . . . . . . . . 4668 1 96 . 1 1 8 8 ILE HD13 H 1 0.590 0.004 . 1 . . . . . . . . 4668 1 97 . 1 1 8 8 ILE HG12 H 1 0.964 0.010 . 2 . . . . . . . . 4668 1 98 . 1 1 8 8 ILE HG13 H 1 0.422 0.007 . 2 . . . . . . . . 4668 1 99 . 1 1 8 8 ILE HG21 H 1 0.809 0.009 . 1 . . . . . . . . 4668 1 100 . 1 1 8 8 ILE HG22 H 1 0.809 0.009 . 1 . . . . . . . . 4668 1 101 . 1 1 8 8 ILE HG23 H 1 0.809 0.009 . 1 . . . . . . . . 4668 1 102 . 1 1 8 8 ILE N N 15 119.759 0.051 . 1 . . . . . . . . 4668 1 103 . 1 1 9 9 LYS C C 13 177.164 0.007 . 1 . . . . . . . . 4668 1 104 . 1 1 9 9 LYS CA C 13 54.485 0.048 . 1 . . . . . . . . 4668 1 105 . 1 1 9 9 LYS CB C 13 36.507 0.103 . 1 . . . . . . . . 4668 1 106 . 1 1 9 9 LYS CD C 13 29.846 0.069 . 1 . . . . . . . . 4668 1 107 . 1 1 9 9 LYS CE C 13 42.199 0.085 . 1 . . . . . . . . 4668 1 108 . 1 1 9 9 LYS CG C 13 25.996 0.156 . 1 . . . . . . . . 4668 1 109 . 1 1 9 9 LYS H H 1 8.400 0.004 . 1 . . . . . . . . 4668 1 110 . 1 1 9 9 LYS HA H 1 5.713 0.004 . 1 . . . . . . . . 4668 1 111 . 1 1 9 9 LYS HE2 H 1 2.947 0.000 . 2 . . . . . . . . 4668 1 112 . 1 1 9 9 LYS HE3 H 1 2.864 0.000 . 2 . . . . . . . . 4668 1 113 . 1 1 9 9 LYS HG2 H 1 1.397 0.006 . 2 . . . . . . . . 4668 1 114 . 1 1 9 9 LYS HG3 H 1 1.246 0.006 . 2 . . . . . . . . 4668 1 115 . 1 1 9 9 LYS N N 15 117.283 0.037 . 1 . . . . . . . . 4668 1 116 . 1 1 9 9 LYS HB2 H 1 1.582 0.002 . 1 . . . . . . . . 4668 1 117 . 1 1 9 9 LYS HB3 H 1 1.582 0.002 . 1 . . . . . . . . 4668 1 118 . 1 1 9 9 LYS HD2 H 1 1.633 0.000 . 1 . . . . . . . . 4668 1 119 . 1 1 9 9 LYS HD3 H 1 1.633 0.000 . 1 . . . . . . . . 4668 1 120 . 1 1 10 10 VAL C C 13 174.533 0.008 . 1 . . . . . . . . 4668 1 121 . 1 1 10 10 VAL CA C 13 58.800 0.059 . 1 . . . . . . . . 4668 1 122 . 1 1 10 10 VAL CB C 13 35.529 0.133 . 1 . . . . . . . . 4668 1 123 . 1 1 10 10 VAL CG1 C 13 20.825 0.073 . 2 . . . . . . . . 4668 1 124 . 1 1 10 10 VAL CG2 C 13 23.460 0.087 . 2 . . . . . . . . 4668 1 125 . 1 1 10 10 VAL H H 1 9.468 0.003 . 1 . . . . . . . . 4668 1 126 . 1 1 10 10 VAL HA H 1 5.600 0.007 . 1 . . . . . . . . 4668 1 127 . 1 1 10 10 VAL HB H 1 2.482 0.004 . 1 . . . . . . . . 4668 1 128 . 1 1 10 10 VAL HG11 H 1 1.297 0.007 . 2 . . . . . . . . 4668 1 129 . 1 1 10 10 VAL HG12 H 1 1.297 0.007 . 2 . . . . . . . . 4668 1 130 . 1 1 10 10 VAL HG13 H 1 1.297 0.007 . 2 . . . . . . . . 4668 1 131 . 1 1 10 10 VAL HG21 H 1 1.178 0.007 . 2 . . . . . . . . 4668 1 132 . 1 1 10 10 VAL HG22 H 1 1.178 0.007 . 2 . . . . . . . . 4668 1 133 . 1 1 10 10 VAL HG23 H 1 1.178 0.007 . 2 . . . . . . . . 4668 1 134 . 1 1 10 10 VAL N N 15 116.640 0.041 . 1 . . . . . . . . 4668 1 135 . 1 1 11 11 ASP C C 13 176.452 0.016 . 1 . . . . . . . . 4668 1 136 . 1 1 11 11 ASP CA C 13 52.599 0.071 . 1 . . . . . . . . 4668 1 137 . 1 1 11 11 ASP CB C 13 45.051 0.051 . 1 . . . . . . . . 4668 1 138 . 1 1 11 11 ASP H H 1 8.901 0.004 . 1 . . . . . . . . 4668 1 139 . 1 1 11 11 ASP HA H 1 5.886 0.008 . 1 . . . . . . . . 4668 1 140 . 1 1 11 11 ASP N N 15 122.501 0.017 . 1 . . . . . . . . 4668 1 141 . 1 1 11 11 ASP HB2 H 1 2.420 0.008 . 1 . . . . . . . . 4668 1 142 . 1 1 11 11 ASP HB3 H 1 2.420 0.008 . 1 . . . . . . . . 4668 1 143 . 1 1 12 12 TYR C C 13 174.403 0.023 . 1 . . . . . . . . 4668 1 144 . 1 1 12 12 TYR CA C 13 55.949 0.027 . 1 . . . . . . . . 4668 1 145 . 1 1 12 12 TYR CB C 13 43.464 0.056 . 1 . . . . . . . . 4668 1 146 . 1 1 12 12 TYR H H 1 8.826 0.003 . 1 . . . . . . . . 4668 1 147 . 1 1 12 12 TYR HA H 1 6.211 0.004 . 1 . . . . . . . . 4668 1 148 . 1 1 12 12 TYR HB2 H 1 3.163 0.003 . 2 . . . . . . . . 4668 1 149 . 1 1 12 12 TYR HB3 H 1 3.251 0.008 . 2 . . . . . . . . 4668 1 150 . 1 1 12 12 TYR N N 15 113.649 0.044 . 1 . . . . . . . . 4668 1 151 . 1 1 13 13 ILE C C 13 174.038 0.011 . 1 . . . . . . . . 4668 1 152 . 1 1 13 13 ILE CA C 13 62.942 0.046 . 1 . . . . . . . . 4668 1 153 . 1 1 13 13 ILE CB C 13 42.954 0.054 . 1 . . . . . . . . 4668 1 154 . 1 1 13 13 ILE CD1 C 13 14.701 0.057 . 1 . . . . . . . . 4668 1 155 . 1 1 13 13 ILE CG1 C 13 27.633 0.139 . 1 . . . . . . . . 4668 1 156 . 1 1 13 13 ILE CG2 C 13 19.387 0.068 . 1 . . . . . . . . 4668 1 157 . 1 1 13 13 ILE H H 1 9.149 0.003 . 1 . . . . . . . . 4668 1 158 . 1 1 13 13 ILE HA H 1 3.945 0.006 . 1 . . . . . . . . 4668 1 159 . 1 1 13 13 ILE HB H 1 1.728 0.007 . 1 . . . . . . . . 4668 1 160 . 1 1 13 13 ILE HD11 H 1 0.929 0.001 . 1 . . . . . . . . 4668 1 161 . 1 1 13 13 ILE HD12 H 1 0.929 0.001 . 1 . . . . . . . . 4668 1 162 . 1 1 13 13 ILE HD13 H 1 0.929 0.001 . 1 . . . . . . . . 4668 1 163 . 1 1 13 13 ILE HG12 H 1 1.569 0.007 . 2 . . . . . . . . 4668 1 164 . 1 1 13 13 ILE HG13 H 1 1.058 0.005 . 2 . . . . . . . . 4668 1 165 . 1 1 13 13 ILE HG21 H 1 0.896 0.002 . 1 . . . . . . . . 4668 1 166 . 1 1 13 13 ILE HG22 H 1 0.896 0.002 . 1 . . . . . . . . 4668 1 167 . 1 1 13 13 ILE HG23 H 1 0.896 0.002 . 1 . . . . . . . . 4668 1 168 . 1 1 13 13 ILE N N 15 121.737 0.058 . 1 . . . . . . . . 4668 1 169 . 1 1 14 14 GLY C C 13 171.292 0.000 . 1 . . . . . . . . 4668 1 170 . 1 1 14 14 GLY CA C 13 45.233 0.041 . 1 . . . . . . . . 4668 1 171 . 1 1 14 14 GLY H H 1 9.211 0.003 . 1 . . . . . . . . 4668 1 172 . 1 1 14 14 GLY HA2 H 1 3.953 0.008 . 2 . . . . . . . . 4668 1 173 . 1 1 14 14 GLY HA3 H 1 2.163 0.006 . 2 . . . . . . . . 4668 1 174 . 1 1 14 14 GLY N N 15 116.274 0.039 . 1 . . . . . . . . 4668 1 175 . 1 1 15 15 LYS C C 13 176.246 0.016 . 1 . . . . . . . . 4668 1 176 . 1 1 15 15 LYS CA C 13 54.475 0.057 . 1 . . . . . . . . 4668 1 177 . 1 1 15 15 LYS CB C 13 37.344 0.110 . 1 . . . . . . . . 4668 1 178 . 1 1 15 15 LYS CD C 13 29.900 0.114 . 1 . . . . . . . . 4668 1 179 . 1 1 15 15 LYS CE C 13 41.915 0.053 . 1 . . . . . . . . 4668 1 180 . 1 1 15 15 LYS CG C 13 25.430 0.155 . 1 . . . . . . . . 4668 1 181 . 1 1 15 15 LYS H H 1 9.267 0.003 . 1 . . . . . . . . 4668 1 182 . 1 1 15 15 LYS HA H 1 5.406 0.005 . 1 . . . . . . . . 4668 1 183 . 1 1 15 15 LYS HB2 H 1 1.606 0.004 . 2 . . . . . . . . 4668 1 184 . 1 1 15 15 LYS HB3 H 1 1.731 0.008 . 2 . . . . . . . . 4668 1 185 . 1 1 15 15 LYS HD2 H 1 1.599 0.000 . 2 . . . . . . . . 4668 1 186 . 1 1 15 15 LYS HD3 H 1 1.551 0.000 . 2 . . . . . . . . 4668 1 187 . 1 1 15 15 LYS HE2 H 1 2.817 0.001 . 2 . . . . . . . . 4668 1 188 . 1 1 15 15 LYS HE3 H 1 2.767 0.000 . 2 . . . . . . . . 4668 1 189 . 1 1 15 15 LYS HG2 H 1 1.254 0.012 . 2 . . . . . . . . 4668 1 190 . 1 1 15 15 LYS HG3 H 1 1.159 0.008 . 2 . . . . . . . . 4668 1 191 . 1 1 15 15 LYS N N 15 125.447 0.028 . 1 . . . . . . . . 4668 1 192 . 1 1 16 16 LEU C C 13 180.269 0.017 . 1 . . . . . . . . 4668 1 193 . 1 1 16 16 LEU CA C 13 53.963 0.047 . 1 . . . . . . . . 4668 1 194 . 1 1 16 16 LEU CB C 13 43.155 0.089 . 1 . . . . . . . . 4668 1 195 . 1 1 16 16 LEU CD1 C 13 25.694 0.070 . 2 . . . . . . . . 4668 1 196 . 1 1 16 16 LEU CD2 C 13 22.873 0.063 . 2 . . . . . . . . 4668 1 197 . 1 1 16 16 LEU CG C 13 27.741 0.085 . 1 . . . . . . . . 4668 1 198 . 1 1 16 16 LEU H H 1 8.564 0.002 . 1 . . . . . . . . 4668 1 199 . 1 1 16 16 LEU HA H 1 4.852 0.009 . 1 . . . . . . . . 4668 1 200 . 1 1 16 16 LEU HB2 H 1 1.949 0.008 . 2 . . . . . . . . 4668 1 201 . 1 1 16 16 LEU HB3 H 1 2.022 0.002 . 2 . . . . . . . . 4668 1 202 . 1 1 16 16 LEU HD11 H 1 1.013 0.009 . 2 . . . . . . . . 4668 1 203 . 1 1 16 16 LEU HD12 H 1 1.013 0.009 . 2 . . . . . . . . 4668 1 204 . 1 1 16 16 LEU HD13 H 1 1.013 0.009 . 2 . . . . . . . . 4668 1 205 . 1 1 16 16 LEU HD21 H 1 0.808 0.011 . 2 . . . . . . . . 4668 1 206 . 1 1 16 16 LEU HD22 H 1 0.808 0.011 . 2 . . . . . . . . 4668 1 207 . 1 1 16 16 LEU HD23 H 1 0.808 0.011 . 2 . . . . . . . . 4668 1 208 . 1 1 16 16 LEU HG H 1 1.926 0.004 . 1 . . . . . . . . 4668 1 209 . 1 1 16 16 LEU N N 15 118.991 0.085 . 1 . . . . . . . . 4668 1 210 . 1 1 17 17 GLU C C 13 177.298 0.009 . 1 . . . . . . . . 4668 1 211 . 1 1 17 17 GLU CA C 13 60.030 0.088 . 1 . . . . . . . . 4668 1 212 . 1 1 17 17 GLU CB C 13 29.707 0.094 . 1 . . . . . . . . 4668 1 213 . 1 1 17 17 GLU CG C 13 37.408 0.061 . 1 . . . . . . . . 4668 1 214 . 1 1 17 17 GLU H H 1 9.661 0.003 . 1 . . . . . . . . 4668 1 215 . 1 1 17 17 GLU HA H 1 3.987 0.008 . 1 . . . . . . . . 4668 1 216 . 1 1 17 17 GLU HG2 H 1 2.207 0.001 . 2 . . . . . . . . 4668 1 217 . 1 1 17 17 GLU HG3 H 1 2.457 0.005 . 2 . . . . . . . . 4668 1 218 . 1 1 17 17 GLU N N 15 122.822 0.067 . 1 . . . . . . . . 4668 1 219 . 1 1 17 17 GLU HB2 H 1 2.129 0.000 . 1 . . . . . . . . 4668 1 220 . 1 1 17 17 GLU HB3 H 1 2.129 0.000 . 1 . . . . . . . . 4668 1 221 . 1 1 18 18 SER C C 13 175.500 0.023 . 1 . . . . . . . . 4668 1 222 . 1 1 18 18 SER CA C 13 58.782 0.092 . 1 . . . . . . . . 4668 1 223 . 1 1 18 18 SER CB C 13 63.666 0.035 . 1 . . . . . . . . 4668 1 224 . 1 1 18 18 SER H H 1 7.714 0.002 . 1 . . . . . . . . 4668 1 225 . 1 1 18 18 SER HA H 1 4.298 0.005 . 1 . . . . . . . . 4668 1 226 . 1 1 18 18 SER HB2 H 1 4.177 0.007 . 2 . . . . . . . . 4668 1 227 . 1 1 18 18 SER HB3 H 1 3.944 0.008 . 2 . . . . . . . . 4668 1 228 . 1 1 18 18 SER N N 15 110.191 0.028 . 1 . . . . . . . . 4668 1 229 . 1 1 19 19 GLY C C 13 173.462 0.001 . 1 . . . . . . . . 4668 1 230 . 1 1 19 19 GLY CA C 13 44.898 0.072 . 1 . . . . . . . . 4668 1 231 . 1 1 19 19 GLY H H 1 8.163 0.003 . 1 . . . . . . . . 4668 1 232 . 1 1 19 19 GLY HA2 H 1 3.626 0.005 . 2 . . . . . . . . 4668 1 233 . 1 1 19 19 GLY HA3 H 1 4.545 0.011 . 2 . . . . . . . . 4668 1 234 . 1 1 19 19 GLY N N 15 110.626 0.050 . 1 . . . . . . . . 4668 1 235 . 1 1 20 20 ASP C C 13 175.457 0.002 . 1 . . . . . . . . 4668 1 236 . 1 1 20 20 ASP CA C 13 54.749 0.019 . 1 . . . . . . . . 4668 1 237 . 1 1 20 20 ASP CB C 13 41.411 0.053 . 1 . . . . . . . . 4668 1 238 . 1 1 20 20 ASP H H 1 7.580 0.003 . 1 . . . . . . . . 4668 1 239 . 1 1 20 20 ASP HA H 1 4.603 0.005 . 1 . . . . . . . . 4668 1 240 . 1 1 20 20 ASP HB2 H 1 2.686 0.004 . 2 . . . . . . . . 4668 1 241 . 1 1 20 20 ASP HB3 H 1 2.387 0.007 . 2 . . . . . . . . 4668 1 242 . 1 1 20 20 ASP N N 15 119.608 0.084 . 1 . . . . . . . . 4668 1 243 . 1 1 21 21 VAL C C 13 175.910 0.015 . 1 . . . . . . . . 4668 1 244 . 1 1 21 21 VAL CA C 13 62.642 0.061 . 1 . . . . . . . . 4668 1 245 . 1 1 21 21 VAL CB C 13 32.704 0.103 . 1 . . . . . . . . 4668 1 246 . 1 1 21 21 VAL CG1 C 13 21.371 0.000 . 2 . . . . . . . . 4668 1 247 . 1 1 21 21 VAL CG2 C 13 21.945 0.065 . 2 . . . . . . . . 4668 1 248 . 1 1 21 21 VAL H H 1 8.743 0.004 . 1 . . . . . . . . 4668 1 249 . 1 1 21 21 VAL HA H 1 4.235 0.006 . 1 . . . . . . . . 4668 1 250 . 1 1 21 21 VAL HB H 1 1.922 0.010 . 1 . . . . . . . . 4668 1 251 . 1 1 21 21 VAL HG11 H 1 0.697 0.009 . 2 . . . . . . . . 4668 1 252 . 1 1 21 21 VAL HG12 H 1 0.697 0.009 . 2 . . . . . . . . 4668 1 253 . 1 1 21 21 VAL HG13 H 1 0.697 0.009 . 2 . . . . . . . . 4668 1 254 . 1 1 21 21 VAL HG21 H 1 0.940 0.008 . 2 . . . . . . . . 4668 1 255 . 1 1 21 21 VAL HG22 H 1 0.940 0.008 . 2 . . . . . . . . 4668 1 256 . 1 1 21 21 VAL HG23 H 1 0.940 0.008 . 2 . . . . . . . . 4668 1 257 . 1 1 21 21 VAL N N 15 124.956 0.021 . 1 . . . . . . . . 4668 1 258 . 1 1 22 22 PHE C C 13 174.975 0.003 . 1 . . . . . . . . 4668 1 259 . 1 1 22 22 PHE CA C 13 56.192 0.052 . 1 . . . . . . . . 4668 1 260 . 1 1 22 22 PHE CB C 13 40.935 0.091 . 1 . . . . . . . . 4668 1 261 . 1 1 22 22 PHE H H 1 8.597 0.003 . 1 . . . . . . . . 4668 1 262 . 1 1 22 22 PHE HA H 1 5.167 0.008 . 1 . . . . . . . . 4668 1 263 . 1 1 22 22 PHE HB2 H 1 3.452 0.005 . 2 . . . . . . . . 4668 1 264 . 1 1 22 22 PHE HB3 H 1 2.732 0.006 . 2 . . . . . . . . 4668 1 265 . 1 1 22 22 PHE N N 15 122.817 0.028 . 1 . . . . . . . . 4668 1 266 . 1 1 23 23 ASP C C 13 173.089 0.003 . 1 . . . . . . . . 4668 1 267 . 1 1 23 23 ASP CA C 13 54.549 0.043 . 1 . . . . . . . . 4668 1 268 . 1 1 23 23 ASP CB C 13 44.361 0.043 . 1 . . . . . . . . 4668 1 269 . 1 1 23 23 ASP H H 1 7.030 0.002 . 1 . . . . . . . . 4668 1 270 . 1 1 23 23 ASP HA H 1 4.807 0.005 . 1 . . . . . . . . 4668 1 271 . 1 1 23 23 ASP HB2 H 1 3.305 0.006 . 2 . . . . . . . . 4668 1 272 . 1 1 23 23 ASP HB3 H 1 2.192 0.001 . 2 . . . . . . . . 4668 1 273 . 1 1 23 23 ASP N N 15 119.130 0.044 . 1 . . . . . . . . 4668 1 274 . 1 1 24 24 THR C C 13 169.375 0.016 . 1 . . . . . . . . 4668 1 275 . 1 1 24 24 THR CA C 13 59.663 0.067 . 1 . . . . . . . . 4668 1 276 . 1 1 24 24 THR CB C 13 68.463 0.041 . 1 . . . . . . . . 4668 1 277 . 1 1 24 24 THR CG2 C 13 18.003 0.164 . 1 . . . . . . . . 4668 1 278 . 1 1 24 24 THR H H 1 8.326 0.002 . 1 . . . . . . . . 4668 1 279 . 1 1 24 24 THR HA H 1 4.251 0.011 . 1 . . . . . . . . 4668 1 280 . 1 1 24 24 THR HB H 1 4.391 0.008 . 1 . . . . . . . . 4668 1 281 . 1 1 24 24 THR HG21 H 1 1.044 0.002 . 1 . . . . . . . . 4668 1 282 . 1 1 24 24 THR HG22 H 1 1.044 0.002 . 1 . . . . . . . . 4668 1 283 . 1 1 24 24 THR HG23 H 1 1.044 0.002 . 1 . . . . . . . . 4668 1 284 . 1 1 24 24 THR N N 15 117.596 0.024 . 1 . . . . . . . . 4668 1 285 . 1 1 25 25 SER C C 13 173.954 0.002 . 1 . . . . . . . . 4668 1 286 . 1 1 25 25 SER CA C 13 59.153 0.047 . 1 . . . . . . . . 4668 1 287 . 1 1 25 25 SER CB C 13 64.038 0.028 . 1 . . . . . . . . 4668 1 288 . 1 1 25 25 SER H H 1 7.063 0.003 . 1 . . . . . . . . 4668 1 289 . 1 1 25 25 SER HA H 1 4.671 0.022 . 1 . . . . . . . . 4668 1 290 . 1 1 25 25 SER N N 15 116.617 0.059 . 1 . . . . . . . . 4668 1 291 . 1 1 25 25 SER HB2 H 1 3.735 0.008 . 1 . . . . . . . . 4668 1 292 . 1 1 25 25 SER HB3 H 1 3.735 0.008 . 1 . . . . . . . . 4668 1 293 . 1 1 26 26 ILE C C 13 176.404 0.019 . 1 . . . . . . . . 4668 1 294 . 1 1 26 26 ILE CA C 13 61.296 0.027 . 1 . . . . . . . . 4668 1 295 . 1 1 26 26 ILE CB C 13 39.093 0.073 . 1 . . . . . . . . 4668 1 296 . 1 1 26 26 ILE CD1 C 13 14.030 0.120 . 1 . . . . . . . . 4668 1 297 . 1 1 26 26 ILE CG1 C 13 26.424 0.068 . 1 . . . . . . . . 4668 1 298 . 1 1 26 26 ILE CG2 C 13 18.692 0.065 . 1 . . . . . . . . 4668 1 299 . 1 1 26 26 ILE H H 1 8.475 0.003 . 1 . . . . . . . . 4668 1 300 . 1 1 26 26 ILE HA H 1 4.200 0.006 . 1 . . . . . . . . 4668 1 301 . 1 1 26 26 ILE HB H 1 1.702 0.009 . 1 . . . . . . . . 4668 1 302 . 1 1 26 26 ILE HD11 H 1 0.745 0.013 . 1 . . . . . . . . 4668 1 303 . 1 1 26 26 ILE HD12 H 1 0.745 0.013 . 1 . . . . . . . . 4668 1 304 . 1 1 26 26 ILE HD13 H 1 0.745 0.013 . 1 . . . . . . . . 4668 1 305 . 1 1 26 26 ILE HG21 H 1 1.030 0.009 . 1 . . . . . . . . 4668 1 306 . 1 1 26 26 ILE HG22 H 1 1.030 0.009 . 1 . . . . . . . . 4668 1 307 . 1 1 26 26 ILE HG23 H 1 1.030 0.009 . 1 . . . . . . . . 4668 1 308 . 1 1 26 26 ILE N N 15 125.976 0.047 . 1 . . . . . . . . 4668 1 309 . 1 1 26 26 ILE HG12 H 1 1.526 0.007 . 1 . . . . . . . . 4668 1 310 . 1 1 26 26 ILE HG13 H 1 1.526 0.007 . 1 . . . . . . . . 4668 1 311 . 1 1 27 27 GLU C C 13 177.980 0.026 . 1 . . . . . . . . 4668 1 312 . 1 1 27 27 GLU CA C 13 60.672 0.044 . 1 . . . . . . . . 4668 1 313 . 1 1 27 27 GLU CB C 13 30.081 0.076 . 1 . . . . . . . . 4668 1 314 . 1 1 27 27 GLU CG C 13 36.771 0.061 . 1 . . . . . . . . 4668 1 315 . 1 1 27 27 GLU H H 1 9.319 0.003 . 1 . . . . . . . . 4668 1 316 . 1 1 27 27 GLU HA H 1 2.707 0.006 . 1 . . . . . . . . 4668 1 317 . 1 1 27 27 GLU HB2 H 1 1.916 0.000 . 2 . . . . . . . . 4668 1 318 . 1 1 27 27 GLU HB3 H 1 2.143 0.007 . 2 . . . . . . . . 4668 1 319 . 1 1 27 27 GLU HG2 H 1 1.742 0.011 . 2 . . . . . . . . 4668 1 320 . 1 1 27 27 GLU HG3 H 1 1.915 0.000 . 2 . . . . . . . . 4668 1 321 . 1 1 27 27 GLU N N 15 132.117 0.044 . 1 . . . . . . . . 4668 1 322 . 1 1 28 28 GLU C C 13 179.228 0.009 . 1 . . . . . . . . 4668 1 323 . 1 1 28 28 GLU CA C 13 60.097 0.047 . 1 . . . . . . . . 4668 1 324 . 1 1 28 28 GLU CB C 13 29.427 0.088 . 1 . . . . . . . . 4668 1 325 . 1 1 28 28 GLU CG C 13 36.313 0.073 . 1 . . . . . . . . 4668 1 326 . 1 1 28 28 GLU H H 1 9.075 0.004 . 1 . . . . . . . . 4668 1 327 . 1 1 28 28 GLU HA H 1 3.814 0.004 . 1 . . . . . . . . 4668 1 328 . 1 1 28 28 GLU N N 15 116.309 0.024 . 1 . . . . . . . . 4668 1 329 . 1 1 28 28 GLU HB2 H 1 1.964 0.005 . 1 . . . . . . . . 4668 1 330 . 1 1 28 28 GLU HB3 H 1 1.964 0.005 . 1 . . . . . . . . 4668 1 331 . 1 1 28 28 GLU HG2 H 1 2.284 0.005 . 1 . . . . . . . . 4668 1 332 . 1 1 28 28 GLU HG3 H 1 2.284 0.005 . 1 . . . . . . . . 4668 1 333 . 1 1 29 29 VAL C C 13 177.815 0.005 . 1 . . . . . . . . 4668 1 334 . 1 1 29 29 VAL CA C 13 64.897 0.076 . 1 . . . . . . . . 4668 1 335 . 1 1 29 29 VAL CB C 13 31.415 0.099 . 1 . . . . . . . . 4668 1 336 . 1 1 29 29 VAL CG1 C 13 21.212 0.060 . 2 . . . . . . . . 4668 1 337 . 1 1 29 29 VAL CG2 C 13 22.259 0.136 . 2 . . . . . . . . 4668 1 338 . 1 1 29 29 VAL H H 1 6.597 0.003 . 1 . . . . . . . . 4668 1 339 . 1 1 29 29 VAL HA H 1 3.708 0.004 . 1 . . . . . . . . 4668 1 340 . 1 1 29 29 VAL HB H 1 2.260 0.011 . 1 . . . . . . . . 4668 1 341 . 1 1 29 29 VAL HG11 H 1 0.984 0.002 . 2 . . . . . . . . 4668 1 342 . 1 1 29 29 VAL HG12 H 1 0.984 0.002 . 2 . . . . . . . . 4668 1 343 . 1 1 29 29 VAL HG13 H 1 0.984 0.002 . 2 . . . . . . . . 4668 1 344 . 1 1 29 29 VAL HG21 H 1 0.968 0.000 . 2 . . . . . . . . 4668 1 345 . 1 1 29 29 VAL HG22 H 1 0.968 0.000 . 2 . . . . . . . . 4668 1 346 . 1 1 29 29 VAL HG23 H 1 0.968 0.000 . 2 . . . . . . . . 4668 1 347 . 1 1 29 29 VAL N N 15 119.356 0.021 . 1 . . . . . . . . 4668 1 348 . 1 1 30 30 ALA C C 13 179.977 0.018 . 1 . . . . . . . . 4668 1 349 . 1 1 30 30 ALA CA C 13 54.926 0.062 . 1 . . . . . . . . 4668 1 350 . 1 1 30 30 ALA CB C 13 17.945 0.079 . 1 . . . . . . . . 4668 1 351 . 1 1 30 30 ALA H H 1 7.815 0.003 . 1 . . . . . . . . 4668 1 352 . 1 1 30 30 ALA HA H 1 3.720 0.012 . 1 . . . . . . . . 4668 1 353 . 1 1 30 30 ALA HB1 H 1 1.246 0.007 . 1 . . . . . . . . 4668 1 354 . 1 1 30 30 ALA HB2 H 1 1.246 0.007 . 1 . . . . . . . . 4668 1 355 . 1 1 30 30 ALA HB3 H 1 1.246 0.007 . 1 . . . . . . . . 4668 1 356 . 1 1 30 30 ALA N N 15 123.073 0.043 . 1 . . . . . . . . 4668 1 357 . 1 1 31 31 LYS C C 13 180.017 0.020 . 1 . . . . . . . . 4668 1 358 . 1 1 31 31 LYS CA C 13 60.099 0.039 . 1 . . . . . . . . 4668 1 359 . 1 1 31 31 LYS CB C 13 32.644 0.059 . 1 . . . . . . . . 4668 1 360 . 1 1 31 31 LYS CD C 13 29.431 0.085 . 1 . . . . . . . . 4668 1 361 . 1 1 31 31 LYS CG C 13 27.491 0.121 . 1 . . . . . . . . 4668 1 362 . 1 1 31 31 LYS H H 1 8.291 0.002 . 1 . . . . . . . . 4668 1 363 . 1 1 31 31 LYS HA H 1 3.963 0.007 . 1 . . . . . . . . 4668 1 364 . 1 1 31 31 LYS HB2 H 1 1.672 0.000 . 2 . . . . . . . . 4668 1 365 . 1 1 31 31 LYS HB3 H 1 1.736 0.004 . 2 . . . . . . . . 4668 1 366 . 1 1 31 31 LYS HG2 H 1 1.087 0.009 . 2 . . . . . . . . 4668 1 367 . 1 1 31 31 LYS HG3 H 1 0.699 0.004 . 2 . . . . . . . . 4668 1 368 . 1 1 31 31 LYS N N 15 116.564 0.049 . 1 . . . . . . . . 4668 1 369 . 1 1 31 31 LYS HD2 H 1 1.265 0.009 . 1 . . . . . . . . 4668 1 370 . 1 1 31 31 LYS HD3 H 1 1.265 0.009 . 1 . . . . . . . . 4668 1 371 . 1 1 32 32 GLU C C 13 177.899 0.000 . 1 . . . . . . . . 4668 1 372 . 1 1 32 32 GLU CA C 13 59.294 0.011 . 1 . . . . . . . . 4668 1 373 . 1 1 32 32 GLU CB C 13 29.553 0.032 . 1 . . . . . . . . 4668 1 374 . 1 1 32 32 GLU CG C 13 36.273 0.000 . 1 . . . . . . . . 4668 1 375 . 1 1 32 32 GLU H H 1 7.861 0.001 . 1 . . . . . . . . 4668 1 376 . 1 1 32 32 GLU HA H 1 4.018 0.001 . 1 . . . . . . . . 4668 1 377 . 1 1 32 32 GLU HG2 H 1 2.284 0.000 . 2 . . . . . . . . 4668 1 378 . 1 1 32 32 GLU HG3 H 1 2.384 0.003 . 2 . . . . . . . . 4668 1 379 . 1 1 32 32 GLU N N 15 121.542 0.038 . 1 . . . . . . . . 4668 1 380 . 1 1 32 32 GLU HB2 H 1 2.151 0.004 . 1 . . . . . . . . 4668 1 381 . 1 1 32 32 GLU HB3 H 1 2.151 0.004 . 1 . . . . . . . . 4668 1 382 . 1 1 33 33 ALA C C 13 177.657 0.004 . 1 . . . . . . . . 4668 1 383 . 1 1 33 33 ALA CA C 13 52.186 0.058 . 1 . . . . . . . . 4668 1 384 . 1 1 33 33 ALA CB C 13 20.104 0.153 . 1 . . . . . . . . 4668 1 385 . 1 1 33 33 ALA H H 1 8.077 0.001 . 1 . . . . . . . . 4668 1 386 . 1 1 33 33 ALA HA H 1 4.447 0.006 . 1 . . . . . . . . 4668 1 387 . 1 1 33 33 ALA HB1 H 1 1.537 0.006 . 1 . . . . . . . . 4668 1 388 . 1 1 33 33 ALA HB2 H 1 1.537 0.006 . 1 . . . . . . . . 4668 1 389 . 1 1 33 33 ALA HB3 H 1 1.537 0.006 . 1 . . . . . . . . 4668 1 390 . 1 1 33 33 ALA N N 15 117.594 0.016 . 1 . . . . . . . . 4668 1 391 . 1 1 34 34 GLY C C 13 175.581 0.042 . 1 . . . . . . . . 4668 1 392 . 1 1 34 34 GLY CA C 13 46.437 0.053 . 1 . . . . . . . . 4668 1 393 . 1 1 34 34 GLY H H 1 7.701 0.003 . 1 . . . . . . . . 4668 1 394 . 1 1 34 34 GLY HA2 H 1 4.233 0.007 . 2 . . . . . . . . 4668 1 395 . 1 1 34 34 GLY HA3 H 1 4.103 0.006 . 2 . . . . . . . . 4668 1 396 . 1 1 34 34 GLY N N 15 106.005 0.060 . 1 . . . . . . . . 4668 1 397 . 1 1 35 35 ILE C C 13 175.885 0.021 . 1 . . . . . . . . 4668 1 398 . 1 1 35 35 ILE CA C 13 60.270 0.034 . 1 . . . . . . . . 4668 1 399 . 1 1 35 35 ILE CB C 13 38.683 0.083 . 1 . . . . . . . . 4668 1 400 . 1 1 35 35 ILE CD1 C 13 14.436 0.076 . 1 . . . . . . . . 4668 1 401 . 1 1 35 35 ILE CG1 C 13 26.520 0.057 . 1 . . . . . . . . 4668 1 402 . 1 1 35 35 ILE CG2 C 13 17.072 0.082 . 1 . . . . . . . . 4668 1 403 . 1 1 35 35 ILE H H 1 7.899 0.003 . 1 . . . . . . . . 4668 1 404 . 1 1 35 35 ILE HA H 1 4.790 0.008 . 1 . . . . . . . . 4668 1 405 . 1 1 35 35 ILE HB H 1 2.333 0.006 . 1 . . . . . . . . 4668 1 406 . 1 1 35 35 ILE HD11 H 1 0.765 0.011 . 1 . . . . . . . . 4668 1 407 . 1 1 35 35 ILE HD12 H 1 0.765 0.011 . 1 . . . . . . . . 4668 1 408 . 1 1 35 35 ILE HD13 H 1 0.765 0.011 . 1 . . . . . . . . 4668 1 409 . 1 1 35 35 ILE HG12 H 1 1.296 0.008 . 2 . . . . . . . . 4668 1 410 . 1 1 35 35 ILE HG13 H 1 1.014 0.014 . 2 . . . . . . . . 4668 1 411 . 1 1 35 35 ILE HG21 H 1 0.915 0.007 . 1 . . . . . . . . 4668 1 412 . 1 1 35 35 ILE HG22 H 1 0.915 0.007 . 1 . . . . . . . . 4668 1 413 . 1 1 35 35 ILE HG23 H 1 0.915 0.007 . 1 . . . . . . . . 4668 1 414 . 1 1 35 35 ILE N N 15 110.008 0.045 . 1 . . . . . . . . 4668 1 415 . 1 1 36 36 TYR C C 13 173.495 0.006 . 1 . . . . . . . . 4668 1 416 . 1 1 36 36 TYR CA C 13 59.033 0.028 . 1 . . . . . . . . 4668 1 417 . 1 1 36 36 TYR CB C 13 38.822 0.064 . 1 . . . . . . . . 4668 1 418 . 1 1 36 36 TYR H H 1 7.486 0.004 . 1 . . . . . . . . 4668 1 419 . 1 1 36 36 TYR HA H 1 4.260 0.004 . 1 . . . . . . . . 4668 1 420 . 1 1 36 36 TYR HB2 H 1 2.905 0.004 . 2 . . . . . . . . 4668 1 421 . 1 1 36 36 TYR HB3 H 1 2.487 0.002 . 2 . . . . . . . . 4668 1 422 . 1 1 36 36 TYR N N 15 125.008 0.025 . 1 . . . . . . . . 4668 1 423 . 1 1 37 37 ALA C C 13 174.739 0.000 . 1 . . . . . . . . 4668 1 424 . 1 1 37 37 ALA CA C 13 48.218 0.076 . 1 . . . . . . . . 4668 1 425 . 1 1 37 37 ALA CB C 13 20.603 0.023 . 1 . . . . . . . . 4668 1 426 . 1 1 37 37 ALA H H 1 7.820 0.003 . 1 . . . . . . . . 4668 1 427 . 1 1 37 37 ALA HA H 1 4.755 0.003 . 1 . . . . . . . . 4668 1 428 . 1 1 37 37 ALA HB1 H 1 1.330 0.003 . 1 . . . . . . . . 4668 1 429 . 1 1 37 37 ALA HB2 H 1 1.330 0.003 . 1 . . . . . . . . 4668 1 430 . 1 1 37 37 ALA HB3 H 1 1.330 0.003 . 1 . . . . . . . . 4668 1 431 . 1 1 37 37 ALA N N 15 133.603 0.024 . 1 . . . . . . . . 4668 1 432 . 1 1 38 38 PRO C C 13 176.462 0.008 . 1 . . . . . . . . 4668 1 433 . 1 1 38 38 PRO CA C 13 63.743 0.039 . 1 . . . . . . . . 4668 1 434 . 1 1 38 38 PRO CB C 13 32.072 0.067 . 1 . . . . . . . . 4668 1 435 . 1 1 38 38 PRO CD C 13 50.805 0.072 . 1 . . . . . . . . 4668 1 436 . 1 1 38 38 PRO CG C 13 27.131 0.073 . 1 . . . . . . . . 4668 1 437 . 1 1 38 38 PRO HA H 1 4.266 0.007 . 1 . . . . . . . . 4668 1 438 . 1 1 38 38 PRO HB2 H 1 2.064 0.000 . 2 . . . . . . . . 4668 1 439 . 1 1 38 38 PRO HB3 H 1 2.403 0.006 . 2 . . . . . . . . 4668 1 440 . 1 1 38 38 PRO HD2 H 1 3.562 0.003 . 2 . . . . . . . . 4668 1 441 . 1 1 38 38 PRO HD3 H 1 3.785 0.006 . 2 . . . . . . . . 4668 1 442 . 1 1 38 38 PRO HG2 H 1 1.999 0.001 . 2 . . . . . . . . 4668 1 443 . 1 1 38 38 PRO HG3 H 1 2.083 0.002 . 2 . . . . . . . . 4668 1 444 . 1 1 39 39 ASP C C 13 175.237 0.007 . 1 . . . . . . . . 4668 1 445 . 1 1 39 39 ASP CA C 13 53.321 0.121 . 1 . . . . . . . . 4668 1 446 . 1 1 39 39 ASP CB C 13 39.989 0.060 . 1 . . . . . . . . 4668 1 447 . 1 1 39 39 ASP H H 1 8.175 0.003 . 1 . . . . . . . . 4668 1 448 . 1 1 39 39 ASP HA H 1 4.572 0.012 . 1 . . . . . . . . 4668 1 449 . 1 1 39 39 ASP HB2 H 1 2.622 0.012 . 2 . . . . . . . . 4668 1 450 . 1 1 39 39 ASP HB3 H 1 2.777 0.009 . 2 . . . . . . . . 4668 1 451 . 1 1 39 39 ASP N N 15 114.606 0.052 . 1 . . . . . . . . 4668 1 452 . 1 1 40 40 ARG C C 13 174.453 0.006 . 1 . . . . . . . . 4668 1 453 . 1 1 40 40 ARG CA C 13 54.835 0.054 . 1 . . . . . . . . 4668 1 454 . 1 1 40 40 ARG CB C 13 31.734 0.050 . 1 . . . . . . . . 4668 1 455 . 1 1 40 40 ARG CD C 13 43.028 0.051 . 1 . . . . . . . . 4668 1 456 . 1 1 40 40 ARG CG C 13 26.712 0.080 . 1 . . . . . . . . 4668 1 457 . 1 1 40 40 ARG H H 1 7.474 0.002 . 1 . . . . . . . . 4668 1 458 . 1 1 40 40 ARG HA H 1 4.307 0.003 . 1 . . . . . . . . 4668 1 459 . 1 1 40 40 ARG HD2 H 1 2.831 0.004 . 2 . . . . . . . . 4668 1 460 . 1 1 40 40 ARG HD3 H 1 2.950 0.004 . 2 . . . . . . . . 4668 1 461 . 1 1 40 40 ARG HG2 H 1 0.973 0.008 . 2 . . . . . . . . 4668 1 462 . 1 1 40 40 ARG HG3 H 1 1.219 0.008 . 2 . . . . . . . . 4668 1 463 . 1 1 40 40 ARG N N 15 121.385 0.056 . 1 . . . . . . . . 4668 1 464 . 1 1 40 40 ARG HB2 H 1 1.613 0.007 . 1 . . . . . . . . 4668 1 465 . 1 1 40 40 ARG HB3 H 1 1.613 0.007 . 1 . . . . . . . . 4668 1 466 . 1 1 41 41 GLU C C 13 176.165 0.004 . 1 . . . . . . . . 4668 1 467 . 1 1 41 41 GLU CA C 13 55.375 0.049 . 1 . . . . . . . . 4668 1 468 . 1 1 41 41 GLU CB C 13 30.045 0.124 . 1 . . . . . . . . 4668 1 469 . 1 1 41 41 GLU CG C 13 36.074 0.000 . 1 . . . . . . . . 4668 1 470 . 1 1 41 41 GLU H H 1 8.363 0.004 . 1 . . . . . . . . 4668 1 471 . 1 1 41 41 GLU HA H 1 4.508 0.007 . 1 . . . . . . . . 4668 1 472 . 1 1 41 41 GLU N N 15 122.622 0.047 . 1 . . . . . . . . 4668 1 473 . 1 1 41 41 GLU HB2 H 1 1.959 0.006 . 1 . . . . . . . . 4668 1 474 . 1 1 41 41 GLU HB3 H 1 1.959 0.006 . 1 . . . . . . . . 4668 1 475 . 1 1 41 41 GLU HG2 H 1 2.262 0.000 . 1 . . . . . . . . 4668 1 476 . 1 1 41 41 GLU HG3 H 1 2.262 0.000 . 1 . . . . . . . . 4668 1 477 . 1 1 42 42 TYR C C 13 174.274 0.011 . 1 . . . . . . . . 4668 1 478 . 1 1 42 42 TYR CA C 13 59.993 0.054 . 1 . . . . . . . . 4668 1 479 . 1 1 42 42 TYR CB C 13 37.366 0.064 . 1 . . . . . . . . 4668 1 480 . 1 1 42 42 TYR H H 1 9.087 0.004 . 1 . . . . . . . . 4668 1 481 . 1 1 42 42 TYR HA H 1 4.336 0.003 . 1 . . . . . . . . 4668 1 482 . 1 1 42 42 TYR HB2 H 1 2.944 0.007 . 2 . . . . . . . . 4668 1 483 . 1 1 42 42 TYR HB3 H 1 3.200 0.009 . 2 . . . . . . . . 4668 1 484 . 1 1 42 42 TYR N N 15 128.381 0.027 . 1 . . . . . . . . 4668 1 485 . 1 1 43 43 GLU C C 13 172.648 0.000 . 1 . . . . . . . . 4668 1 486 . 1 1 43 43 GLU CA C 13 53.108 0.029 . 1 . . . . . . . . 4668 1 487 . 1 1 43 43 GLU CB C 13 30.762 0.029 . 1 . . . . . . . . 4668 1 488 . 1 1 43 43 GLU CG C 13 34.693 0.023 . 1 . . . . . . . . 4668 1 489 . 1 1 43 43 GLU H H 1 7.648 0.002 . 1 . . . . . . . . 4668 1 490 . 1 1 43 43 GLU HA H 1 5.137 0.003 . 1 . . . . . . . . 4668 1 491 . 1 1 43 43 GLU HB2 H 1 1.926 0.007 . 2 . . . . . . . . 4668 1 492 . 1 1 43 43 GLU HB3 H 1 2.199 0.004 . 2 . . . . . . . . 4668 1 493 . 1 1 43 43 GLU N N 15 122.312 0.040 . 1 . . . . . . . . 4668 1 494 . 1 1 43 43 GLU HG2 H 1 2.261 0.001 . 1 . . . . . . . . 4668 1 495 . 1 1 43 43 GLU HG3 H 1 2.261 0.001 . 1 . . . . . . . . 4668 1 496 . 1 1 44 44 PRO C C 13 176.563 0.000 . 1 . . . . . . . . 4668 1 497 . 1 1 44 44 PRO CA C 13 63.744 0.063 . 1 . . . . . . . . 4668 1 498 . 1 1 44 44 PRO CB C 13 32.963 0.071 . 1 . . . . . . . . 4668 1 499 . 1 1 44 44 PRO CD C 13 50.567 0.063 . 1 . . . . . . . . 4668 1 500 . 1 1 44 44 PRO CG C 13 27.692 0.007 . 1 . . . . . . . . 4668 1 501 . 1 1 44 44 PRO HA H 1 4.660 0.004 . 1 . . . . . . . . 4668 1 502 . 1 1 44 44 PRO HB2 H 1 1.623 0.009 . 2 . . . . . . . . 4668 1 503 . 1 1 44 44 PRO HB3 H 1 1.990 0.005 . 2 . . . . . . . . 4668 1 504 . 1 1 44 44 PRO HD2 H 1 4.065 0.004 . 2 . . . . . . . . 4668 1 505 . 1 1 44 44 PRO HD3 H 1 3.709 0.003 . 2 . . . . . . . . 4668 1 506 . 1 1 44 44 PRO HG2 H 1 2.142 0.004 . 1 . . . . . . . . 4668 1 507 . 1 1 44 44 PRO HG3 H 1 2.142 0.004 . 1 . . . . . . . . 4668 1 508 . 1 1 45 45 LEU C C 13 175.503 0.002 . 1 . . . . . . . . 4668 1 509 . 1 1 45 45 LEU CA C 13 54.964 0.062 . 1 . . . . . . . . 4668 1 510 . 1 1 45 45 LEU CB C 13 44.247 0.071 . 1 . . . . . . . . 4668 1 511 . 1 1 45 45 LEU CD1 C 13 24.187 0.148 . 2 . . . . . . . . 4668 1 512 . 1 1 45 45 LEU CD2 C 13 26.278 0.085 . 2 . . . . . . . . 4668 1 513 . 1 1 45 45 LEU CG C 13 27.493 0.056 . 1 . . . . . . . . 4668 1 514 . 1 1 45 45 LEU H H 1 9.067 0.003 . 1 . . . . . . . . 4668 1 515 . 1 1 45 45 LEU HA H 1 4.578 0.004 . 1 . . . . . . . . 4668 1 516 . 1 1 45 45 LEU HB2 H 1 2.044 0.003 . 2 . . . . . . . . 4668 1 517 . 1 1 45 45 LEU HB3 H 1 1.965 0.002 . 2 . . . . . . . . 4668 1 518 . 1 1 45 45 LEU HD11 H 1 0.960 0.008 . 2 . . . . . . . . 4668 1 519 . 1 1 45 45 LEU HD12 H 1 0.960 0.008 . 2 . . . . . . . . 4668 1 520 . 1 1 45 45 LEU HD13 H 1 0.960 0.008 . 2 . . . . . . . . 4668 1 521 . 1 1 45 45 LEU HD21 H 1 0.686 0.008 . 2 . . . . . . . . 4668 1 522 . 1 1 45 45 LEU HD22 H 1 0.686 0.008 . 2 . . . . . . . . 4668 1 523 . 1 1 45 45 LEU HD23 H 1 0.686 0.008 . 2 . . . . . . . . 4668 1 524 . 1 1 45 45 LEU HG H 1 1.689 0.006 . 1 . . . . . . . . 4668 1 525 . 1 1 45 45 LEU N N 15 126.532 0.049 . 1 . . . . . . . . 4668 1 526 . 1 1 46 46 GLU C C 13 175.745 0.054 . 1 . . . . . . . . 4668 1 527 . 1 1 46 46 GLU CA C 13 54.227 0.054 . 1 . . . . . . . . 4668 1 528 . 1 1 46 46 GLU CB C 13 33.034 0.089 . 1 . . . . . . . . 4668 1 529 . 1 1 46 46 GLU CG C 13 37.365 0.066 . 1 . . . . . . . . 4668 1 530 . 1 1 46 46 GLU H H 1 8.737 0.004 . 1 . . . . . . . . 4668 1 531 . 1 1 46 46 GLU HA H 1 5.883 0.005 . 1 . . . . . . . . 4668 1 532 . 1 1 46 46 GLU HB2 H 1 2.096 0.000 . 2 . . . . . . . . 4668 1 533 . 1 1 46 46 GLU HB3 H 1 1.894 0.000 . 2 . . . . . . . . 4668 1 534 . 1 1 46 46 GLU HG2 H 1 2.101 0.000 . 2 . . . . . . . . 4668 1 535 . 1 1 46 46 GLU HG3 H 1 1.960 0.000 . 2 . . . . . . . . 4668 1 536 . 1 1 46 46 GLU N N 15 127.598 0.070 . 1 . . . . . . . . 4668 1 537 . 1 1 47 47 PHE C C 13 171.626 0.006 . 1 . . . . . . . . 4668 1 538 . 1 1 47 47 PHE CA C 13 56.033 0.072 . 1 . . . . . . . . 4668 1 539 . 1 1 47 47 PHE CB C 13 40.380 0.071 . 1 . . . . . . . . 4668 1 540 . 1 1 47 47 PHE H H 1 9.005 0.003 . 1 . . . . . . . . 4668 1 541 . 1 1 47 47 PHE HA H 1 4.984 0.003 . 1 . . . . . . . . 4668 1 542 . 1 1 47 47 PHE HB2 H 1 3.016 0.005 . 2 . . . . . . . . 4668 1 543 . 1 1 47 47 PHE HB3 H 1 3.121 0.003 . 2 . . . . . . . . 4668 1 544 . 1 1 47 47 PHE N N 15 122.024 0.038 . 1 . . . . . . . . 4668 1 545 . 1 1 48 48 VAL C C 13 176.978 0.022 . 1 . . . . . . . . 4668 1 546 . 1 1 48 48 VAL CA C 13 61.280 0.058 . 1 . . . . . . . . 4668 1 547 . 1 1 48 48 VAL CB C 13 31.709 0.088 . 1 . . . . . . . . 4668 1 548 . 1 1 48 48 VAL CG1 C 13 21.229 0.029 . 2 . . . . . . . . 4668 1 549 . 1 1 48 48 VAL CG2 C 13 21.263 0.000 . 2 . . . . . . . . 4668 1 550 . 1 1 48 48 VAL H H 1 8.704 0.004 . 1 . . . . . . . . 4668 1 551 . 1 1 48 48 VAL HA H 1 4.309 0.006 . 1 . . . . . . . . 4668 1 552 . 1 1 48 48 VAL HB H 1 1.913 0.006 . 1 . . . . . . . . 4668 1 553 . 1 1 48 48 VAL HG11 H 1 0.718 0.011 . 2 . . . . . . . . 4668 1 554 . 1 1 48 48 VAL HG12 H 1 0.718 0.011 . 2 . . . . . . . . 4668 1 555 . 1 1 48 48 VAL HG13 H 1 0.718 0.011 . 2 . . . . . . . . 4668 1 556 . 1 1 48 48 VAL HG21 H 1 0.907 0.007 . 2 . . . . . . . . 4668 1 557 . 1 1 48 48 VAL HG22 H 1 0.907 0.007 . 2 . . . . . . . . 4668 1 558 . 1 1 48 48 VAL HG23 H 1 0.907 0.007 . 2 . . . . . . . . 4668 1 559 . 1 1 48 48 VAL N N 15 120.248 0.054 . 1 . . . . . . . . 4668 1 560 . 1 1 49 49 VAL C C 13 177.973 0.011 . 1 . . . . . . . . 4668 1 561 . 1 1 49 49 VAL CA C 13 66.040 0.045 . 1 . . . . . . . . 4668 1 562 . 1 1 49 49 VAL CB C 13 31.505 0.092 . 1 . . . . . . . . 4668 1 563 . 1 1 49 49 VAL CG1 C 13 22.321 0.000 . 2 . . . . . . . . 4668 1 564 . 1 1 49 49 VAL CG2 C 13 22.806 0.105 . 2 . . . . . . . . 4668 1 565 . 1 1 49 49 VAL H H 1 8.713 0.004 . 1 . . . . . . . . 4668 1 566 . 1 1 49 49 VAL HA H 1 3.539 0.006 . 1 . . . . . . . . 4668 1 567 . 1 1 49 49 VAL HB H 1 2.266 0.009 . 1 . . . . . . . . 4668 1 568 . 1 1 49 49 VAL HG11 H 1 0.907 0.000 . 2 . . . . . . . . 4668 1 569 . 1 1 49 49 VAL HG12 H 1 0.907 0.000 . 2 . . . . . . . . 4668 1 570 . 1 1 49 49 VAL HG13 H 1 0.907 0.000 . 2 . . . . . . . . 4668 1 571 . 1 1 49 49 VAL HG21 H 1 0.844 0.001 . 2 . . . . . . . . 4668 1 572 . 1 1 49 49 VAL HG22 H 1 0.844 0.001 . 2 . . . . . . . . 4668 1 573 . 1 1 49 49 VAL HG23 H 1 0.844 0.001 . 2 . . . . . . . . 4668 1 574 . 1 1 49 49 VAL N N 15 129.918 0.027 . 1 . . . . . . . . 4668 1 575 . 1 1 50 50 GLY C C 13 174.819 0.014 . 1 . . . . . . . . 4668 1 576 . 1 1 50 50 GLY CA C 13 45.569 0.047 . 1 . . . . . . . . 4668 1 577 . 1 1 50 50 GLY H H 1 9.157 0.003 . 1 . . . . . . . . 4668 1 578 . 1 1 50 50 GLY HA2 H 1 3.949 0.007 . 2 . . . . . . . . 4668 1 579 . 1 1 50 50 GLY HA3 H 1 4.442 0.005 . 2 . . . . . . . . 4668 1 580 . 1 1 50 50 GLY N N 15 118.762 0.028 . 1 . . . . . . . . 4668 1 581 . 1 1 51 51 GLU C C 13 177.928 0.005 . 1 . . . . . . . . 4668 1 582 . 1 1 51 51 GLU CA C 13 57.000 0.049 . 1 . . . . . . . . 4668 1 583 . 1 1 51 51 GLU CB C 13 29.944 0.073 . 1 . . . . . . . . 4668 1 584 . 1 1 51 51 GLU CG C 13 37.398 0.058 . 1 . . . . . . . . 4668 1 585 . 1 1 51 51 GLU H H 1 7.988 0.003 . 1 . . . . . . . . 4668 1 586 . 1 1 51 51 GLU HA H 1 4.434 0.006 . 1 . . . . . . . . 4668 1 587 . 1 1 51 51 GLU HB2 H 1 2.419 0.000 . 2 . . . . . . . . 4668 1 588 . 1 1 51 51 GLU HB3 H 1 2.156 0.000 . 2 . . . . . . . . 4668 1 589 . 1 1 51 51 GLU HG2 H 1 2.359 0.000 . 2 . . . . . . . . 4668 1 590 . 1 1 51 51 GLU HG3 H 1 2.215 0.003 . 2 . . . . . . . . 4668 1 591 . 1 1 51 51 GLU N N 15 119.271 0.043 . 1 . . . . . . . . 4668 1 592 . 1 1 52 52 GLY C C 13 175.432 0.007 . 1 . . . . . . . . 4668 1 593 . 1 1 52 52 GLY CA C 13 46.774 0.037 . 1 . . . . . . . . 4668 1 594 . 1 1 52 52 GLY H H 1 9.566 0.004 . 1 . . . . . . . . 4668 1 595 . 1 1 52 52 GLY N N 15 111.045 0.062 . 1 . . . . . . . . 4668 1 596 . 1 1 52 52 GLY HA2 H 1 3.923 0.000 . 1 . . . . . . . . 4668 1 597 . 1 1 52 52 GLY HA3 H 1 3.923 0.000 . 1 . . . . . . . . 4668 1 598 . 1 1 53 53 GLN C C 13 176.028 0.014 . 1 . . . . . . . . 4668 1 599 . 1 1 53 53 GLN CA C 13 57.382 0.065 . 1 . . . . . . . . 4668 1 600 . 1 1 53 53 GLN CB C 13 29.053 0.094 . 1 . . . . . . . . 4668 1 601 . 1 1 53 53 GLN CD C 13 180.127 0.023 . 1 . . . . . . . . 4668 1 602 . 1 1 53 53 GLN CG C 13 34.294 0.081 . 1 . . . . . . . . 4668 1 603 . 1 1 53 53 GLN H H 1 8.444 0.003 . 1 . . . . . . . . 4668 1 604 . 1 1 53 53 GLN HA H 1 4.110 0.007 . 1 . . . . . . . . 4668 1 605 . 1 1 53 53 GLN HE21 H 1 7.582 0.005 . 1 . . . . . . . . 4668 1 606 . 1 1 53 53 GLN HE22 H 1 6.929 0.003 . 1 . . . . . . . . 4668 1 607 . 1 1 53 53 GLN HG2 H 1 2.323 0.004 . 2 . . . . . . . . 4668 1 608 . 1 1 53 53 GLN HG3 H 1 2.468 0.008 . 2 . . . . . . . . 4668 1 609 . 1 1 53 53 GLN N N 15 118.754 0.037 . 1 . . . . . . . . 4668 1 610 . 1 1 53 53 GLN NE2 N 15 112.227 0.008 . 1 . . . . . . . . 4668 1 611 . 1 1 53 53 GLN HB2 H 1 2.110 0.009 . 1 . . . . . . . . 4668 1 612 . 1 1 53 53 GLN HB3 H 1 2.110 0.009 . 1 . . . . . . . . 4668 1 613 . 1 1 54 54 LEU C C 13 176.425 0.006 . 1 . . . . . . . . 4668 1 614 . 1 1 54 54 LEU CA C 13 52.373 0.066 . 1 . . . . . . . . 4668 1 615 . 1 1 54 54 LEU CB C 13 43.244 0.069 . 1 . . . . . . . . 4668 1 616 . 1 1 54 54 LEU CD1 C 13 24.595 0.061 . 2 . . . . . . . . 4668 1 617 . 1 1 54 54 LEU CD2 C 13 22.577 0.057 . 2 . . . . . . . . 4668 1 618 . 1 1 54 54 LEU CG C 13 27.404 0.045 . 1 . . . . . . . . 4668 1 619 . 1 1 54 54 LEU H H 1 8.070 0.006 . 1 . . . . . . . . 4668 1 620 . 1 1 54 54 LEU HA H 1 4.413 0.006 . 1 . . . . . . . . 4668 1 621 . 1 1 54 54 LEU HB2 H 1 1.312 0.008 . 2 . . . . . . . . 4668 1 622 . 1 1 54 54 LEU HB3 H 1 0.883 0.008 . 2 . . . . . . . . 4668 1 623 . 1 1 54 54 LEU HD11 H 1 -0.554 0.008 . 2 . . . . . . . . 4668 1 624 . 1 1 54 54 LEU HD12 H 1 -0.554 0.008 . 2 . . . . . . . . 4668 1 625 . 1 1 54 54 LEU HD13 H 1 -0.554 0.008 . 2 . . . . . . . . 4668 1 626 . 1 1 54 54 LEU HD21 H 1 0.057 0.004 . 2 . . . . . . . . 4668 1 627 . 1 1 54 54 LEU HD22 H 1 0.057 0.004 . 2 . . . . . . . . 4668 1 628 . 1 1 54 54 LEU HD23 H 1 0.057 0.004 . 2 . . . . . . . . 4668 1 629 . 1 1 54 54 LEU HG H 1 0.860 0.007 . 1 . . . . . . . . 4668 1 630 . 1 1 54 54 LEU N N 15 119.244 0.057 . 1 . . . . . . . . 4668 1 631 . 1 1 55 55 ILE C C 13 177.703 0.009 . 1 . . . . . . . . 4668 1 632 . 1 1 55 55 ILE CA C 13 62.430 0.054 . 1 . . . . . . . . 4668 1 633 . 1 1 55 55 ILE CB C 13 38.011 0.059 . 1 . . . . . . . . 4668 1 634 . 1 1 55 55 ILE CD1 C 13 14.171 0.031 . 1 . . . . . . . . 4668 1 635 . 1 1 55 55 ILE CG1 C 13 25.492 0.020 . 1 . . . . . . . . 4668 1 636 . 1 1 55 55 ILE CG2 C 13 17.592 0.058 . 1 . . . . . . . . 4668 1 637 . 1 1 55 55 ILE H H 1 7.348 0.004 . 1 . . . . . . . . 4668 1 638 . 1 1 55 55 ILE HA H 1 3.877 0.005 . 1 . . . . . . . . 4668 1 639 . 1 1 55 55 ILE HB H 1 2.010 0.006 . 1 . . . . . . . . 4668 1 640 . 1 1 55 55 ILE HD11 H 1 0.721 0.011 . 1 . . . . . . . . 4668 1 641 . 1 1 55 55 ILE HD12 H 1 0.721 0.011 . 1 . . . . . . . . 4668 1 642 . 1 1 55 55 ILE HD13 H 1 0.721 0.011 . 1 . . . . . . . . 4668 1 643 . 1 1 55 55 ILE HG12 H 1 1.294 0.005 . 2 . . . . . . . . 4668 1 644 . 1 1 55 55 ILE HG13 H 1 1.064 0.004 . 2 . . . . . . . . 4668 1 645 . 1 1 55 55 ILE HG21 H 1 0.176 0.006 . 1 . . . . . . . . 4668 1 646 . 1 1 55 55 ILE HG22 H 1 0.176 0.006 . 1 . . . . . . . . 4668 1 647 . 1 1 55 55 ILE HG23 H 1 0.176 0.006 . 1 . . . . . . . . 4668 1 648 . 1 1 55 55 ILE N N 15 111.301 0.064 . 1 . . . . . . . . 4668 1 649 . 1 1 56 56 GLN C C 13 179.404 0.017 . 1 . . . . . . . . 4668 1 650 . 1 1 56 56 GLN CA C 13 59.619 0.041 . 1 . . . . . . . . 4668 1 651 . 1 1 56 56 GLN CB C 13 28.814 0.100 . 1 . . . . . . . . 4668 1 652 . 1 1 56 56 GLN CD C 13 179.626 0.020 . 1 . . . . . . . . 4668 1 653 . 1 1 56 56 GLN CG C 13 33.058 0.069 . 1 . . . . . . . . 4668 1 654 . 1 1 56 56 GLN H H 1 8.868 0.004 . 1 . . . . . . . . 4668 1 655 . 1 1 56 56 GLN HA H 1 4.002 0.009 . 1 . . . . . . . . 4668 1 656 . 1 1 56 56 GLN HE21 H 1 7.856 0.004 . 1 . . . . . . . . 4668 1 657 . 1 1 56 56 GLN HE22 H 1 6.867 0.005 . 1 . . . . . . . . 4668 1 658 . 1 1 56 56 GLN HG2 H 1 2.176 0.021 . 2 . . . . . . . . 4668 1 659 . 1 1 56 56 GLN HG3 H 1 2.474 0.007 . 2 . . . . . . . . 4668 1 660 . 1 1 56 56 GLN N N 15 125.070 0.061 . 1 . . . . . . . . 4668 1 661 . 1 1 56 56 GLN NE2 N 15 111.431 0.004 . 1 . . . . . . . . 4668 1 662 . 1 1 56 56 GLN HB2 H 1 1.897 0.012 . 1 . . . . . . . . 4668 1 663 . 1 1 56 56 GLN HB3 H 1 1.897 0.012 . 1 . . . . . . . . 4668 1 664 . 1 1 57 57 GLY C C 13 175.048 0.028 . 1 . . . . . . . . 4668 1 665 . 1 1 57 57 GLY CA C 13 46.773 0.046 . 1 . . . . . . . . 4668 1 666 . 1 1 57 57 GLY H H 1 9.597 0.005 . 1 . . . . . . . . 4668 1 667 . 1 1 57 57 GLY HA2 H 1 3.920 0.004 . 2 . . . . . . . . 4668 1 668 . 1 1 57 57 GLY HA3 H 1 3.683 0.004 . 2 . . . . . . . . 4668 1 669 . 1 1 57 57 GLY N N 15 101.426 0.084 . 1 . . . . . . . . 4668 1 670 . 1 1 58 58 PHE C C 13 176.020 0.017 . 1 . . . . . . . . 4668 1 671 . 1 1 58 58 PHE CA C 13 59.808 0.034 . 1 . . . . . . . . 4668 1 672 . 1 1 58 58 PHE CB C 13 40.377 0.041 . 1 . . . . . . . . 4668 1 673 . 1 1 58 58 PHE H H 1 7.433 0.003 . 1 . . . . . . . . 4668 1 674 . 1 1 58 58 PHE HA H 1 3.771 0.004 . 1 . . . . . . . . 4668 1 675 . 1 1 58 58 PHE HB2 H 1 2.021 0.007 . 2 . . . . . . . . 4668 1 676 . 1 1 58 58 PHE HB3 H 1 3.116 0.009 . 2 . . . . . . . . 4668 1 677 . 1 1 58 58 PHE N N 15 122.262 0.048 . 1 . . . . . . . . 4668 1 678 . 1 1 59 59 GLU C C 13 178.140 0.019 . 1 . . . . . . . . 4668 1 679 . 1 1 59 59 GLU CA C 13 61.206 0.055 . 1 . . . . . . . . 4668 1 680 . 1 1 59 59 GLU CB C 13 28.973 0.080 . 1 . . . . . . . . 4668 1 681 . 1 1 59 59 GLU CG C 13 37.651 0.072 . 1 . . . . . . . . 4668 1 682 . 1 1 59 59 GLU H H 1 7.313 0.003 . 1 . . . . . . . . 4668 1 683 . 1 1 59 59 GLU HA H 1 3.984 0.005 . 1 . . . . . . . . 4668 1 684 . 1 1 59 59 GLU HB2 H 1 2.153 0.005 . 2 . . . . . . . . 4668 1 685 . 1 1 59 59 GLU HB3 H 1 2.277 0.009 . 2 . . . . . . . . 4668 1 686 . 1 1 59 59 GLU HG2 H 1 2.001 0.010 . 2 . . . . . . . . 4668 1 687 . 1 1 59 59 GLU HG3 H 1 2.414 0.015 . 2 . . . . . . . . 4668 1 688 . 1 1 59 59 GLU N N 15 115.853 0.058 . 1 . . . . . . . . 4668 1 689 . 1 1 60 60 GLU C C 13 179.006 0.023 . 1 . . . . . . . . 4668 1 690 . 1 1 60 60 GLU CA C 13 58.218 0.057 . 1 . . . . . . . . 4668 1 691 . 1 1 60 60 GLU CB C 13 30.233 0.108 . 1 . . . . . . . . 4668 1 692 . 1 1 60 60 GLU CG C 13 36.864 0.139 . 1 . . . . . . . . 4668 1 693 . 1 1 60 60 GLU H H 1 8.139 0.004 . 1 . . . . . . . . 4668 1 694 . 1 1 60 60 GLU HA H 1 4.041 0.006 . 1 . . . . . . . . 4668 1 695 . 1 1 60 60 GLU HG2 H 1 2.275 0.007 . 2 . . . . . . . . 4668 1 696 . 1 1 60 60 GLU HG3 H 1 2.570 0.008 . 2 . . . . . . . . 4668 1 697 . 1 1 60 60 GLU N N 15 113.046 0.048 . 1 . . . . . . . . 4668 1 698 . 1 1 60 60 GLU HB2 H 1 1.999 0.010 . 1 . . . . . . . . 4668 1 699 . 1 1 60 60 GLU HB3 H 1 1.999 0.010 . 1 . . . . . . . . 4668 1 700 . 1 1 61 61 ALA C C 13 178.775 0.018 . 1 . . . . . . . . 4668 1 701 . 1 1 61 61 ALA CA C 13 54.486 0.087 . 1 . . . . . . . . 4668 1 702 . 1 1 61 61 ALA CB C 13 19.204 0.088 . 1 . . . . . . . . 4668 1 703 . 1 1 61 61 ALA H H 1 7.354 0.002 . 1 . . . . . . . . 4668 1 704 . 1 1 61 61 ALA HA H 1 4.125 0.004 . 1 . . . . . . . . 4668 1 705 . 1 1 61 61 ALA HB1 H 1 1.392 0.006 . 1 . . . . . . . . 4668 1 706 . 1 1 61 61 ALA HB2 H 1 1.392 0.006 . 1 . . . . . . . . 4668 1 707 . 1 1 61 61 ALA HB3 H 1 1.392 0.006 . 1 . . . . . . . . 4668 1 708 . 1 1 61 61 ALA N N 15 120.814 0.034 . 1 . . . . . . . . 4668 1 709 . 1 1 62 62 VAL C C 13 176.073 0.007 . 1 . . . . . . . . 4668 1 710 . 1 1 62 62 VAL CA C 13 62.277 0.055 . 1 . . . . . . . . 4668 1 711 . 1 1 62 62 VAL CB C 13 31.554 0.069 . 1 . . . . . . . . 4668 1 712 . 1 1 62 62 VAL CG1 C 13 19.648 0.079 . 2 . . . . . . . . 4668 1 713 . 1 1 62 62 VAL CG2 C 13 21.589 0.131 . 2 . . . . . . . . 4668 1 714 . 1 1 62 62 VAL H H 1 6.828 0.004 . 1 . . . . . . . . 4668 1 715 . 1 1 62 62 VAL HA H 1 4.303 0.008 . 1 . . . . . . . . 4668 1 716 . 1 1 62 62 VAL HB H 1 2.316 0.005 . 1 . . . . . . . . 4668 1 717 . 1 1 62 62 VAL HG11 H 1 1.099 0.000 . 2 . . . . . . . . 4668 1 718 . 1 1 62 62 VAL HG12 H 1 1.099 0.000 . 2 . . . . . . . . 4668 1 719 . 1 1 62 62 VAL HG13 H 1 1.099 0.000 . 2 . . . . . . . . 4668 1 720 . 1 1 62 62 VAL HG21 H 1 1.023 0.000 . 2 . . . . . . . . 4668 1 721 . 1 1 62 62 VAL HG22 H 1 1.023 0.000 . 2 . . . . . . . . 4668 1 722 . 1 1 62 62 VAL HG23 H 1 1.023 0.000 . 2 . . . . . . . . 4668 1 723 . 1 1 62 62 VAL N N 15 104.600 0.042 . 1 . . . . . . . . 4668 1 724 . 1 1 63 63 LEU C C 13 177.856 0.018 . 1 . . . . . . . . 4668 1 725 . 1 1 63 63 LEU CA C 13 56.740 0.035 . 1 . . . . . . . . 4668 1 726 . 1 1 63 63 LEU CB C 13 41.134 0.097 . 1 . . . . . . . . 4668 1 727 . 1 1 63 63 LEU CD1 C 13 23.466 0.084 . 2 . . . . . . . . 4668 1 728 . 1 1 63 63 LEU CD2 C 13 25.726 0.084 . 2 . . . . . . . . 4668 1 729 . 1 1 63 63 LEU CG C 13 41.217 0.000 . 1 . . . . . . . . 4668 1 730 . 1 1 63 63 LEU H H 1 6.862 0.002 . 1 . . . . . . . . 4668 1 731 . 1 1 63 63 LEU HA H 1 3.927 0.007 . 1 . . . . . . . . 4668 1 732 . 1 1 63 63 LEU HB2 H 1 1.564 0.007 . 2 . . . . . . . . 4668 1 733 . 1 1 63 63 LEU HB3 H 1 1.802 0.006 . 2 . . . . . . . . 4668 1 734 . 1 1 63 63 LEU HD11 H 1 0.895 0.008 . 2 . . . . . . . . 4668 1 735 . 1 1 63 63 LEU HD12 H 1 0.895 0.008 . 2 . . . . . . . . 4668 1 736 . 1 1 63 63 LEU HD13 H 1 0.895 0.008 . 2 . . . . . . . . 4668 1 737 . 1 1 63 63 LEU HD21 H 1 1.045 0.009 . 2 . . . . . . . . 4668 1 738 . 1 1 63 63 LEU HD22 H 1 1.045 0.009 . 2 . . . . . . . . 4668 1 739 . 1 1 63 63 LEU HD23 H 1 1.045 0.009 . 2 . . . . . . . . 4668 1 740 . 1 1 63 63 LEU HG H 1 1.935 0.004 . 1 . . . . . . . . 4668 1 741 . 1 1 63 63 LEU N N 15 116.935 0.018 . 1 . . . . . . . . 4668 1 742 . 1 1 64 64 ASP C C 13 175.698 0.003 . 1 . . . . . . . . 4668 1 743 . 1 1 64 64 ASP CA C 13 54.835 0.064 . 1 . . . . . . . . 4668 1 744 . 1 1 64 64 ASP CB C 13 39.930 0.068 . 1 . . . . . . . . 4668 1 745 . 1 1 64 64 ASP H H 1 8.043 0.004 . 1 . . . . . . . . 4668 1 746 . 1 1 64 64 ASP HA H 1 4.700 0.004 . 1 . . . . . . . . 4668 1 747 . 1 1 64 64 ASP HB2 H 1 2.817 0.004 . 2 . . . . . . . . 4668 1 748 . 1 1 64 64 ASP HB3 H 1 2.973 0.011 . 2 . . . . . . . . 4668 1 749 . 1 1 64 64 ASP N N 15 114.806 0.041 . 1 . . . . . . . . 4668 1 750 . 1 1 65 65 MET C C 13 174.450 0.012 . 1 . . . . . . . . 4668 1 751 . 1 1 65 65 MET CA C 13 56.621 0.090 . 1 . . . . . . . . 4668 1 752 . 1 1 65 65 MET CB C 13 36.245 0.056 . 1 . . . . . . . . 4668 1 753 . 1 1 65 65 MET CG C 13 32.654 0.073 . 1 . . . . . . . . 4668 1 754 . 1 1 65 65 MET H H 1 7.560 0.002 . 1 . . . . . . . . 4668 1 755 . 1 1 65 65 MET HA H 1 4.461 0.015 . 1 . . . . . . . . 4668 1 756 . 1 1 65 65 MET HB2 H 1 2.077 0.003 . 2 . . . . . . . . 4668 1 757 . 1 1 65 65 MET HB3 H 1 2.300 0.000 . 2 . . . . . . . . 4668 1 758 . 1 1 65 65 MET N N 15 118.537 0.032 . 1 . . . . . . . . 4668 1 759 . 1 1 65 65 MET HG2 H 1 2.568 0.004 . 1 . . . . . . . . 4668 1 760 . 1 1 65 65 MET HG3 H 1 2.568 0.004 . 1 . . . . . . . . 4668 1 761 . 1 1 66 66 GLU C C 13 176.579 0.032 . 1 . . . . . . . . 4668 1 762 . 1 1 66 66 GLU CA C 13 53.521 0.052 . 1 . . . . . . . . 4668 1 763 . 1 1 66 66 GLU CB C 13 32.115 0.092 . 1 . . . . . . . . 4668 1 764 . 1 1 66 66 GLU CG C 13 35.868 0.049 . 1 . . . . . . . . 4668 1 765 . 1 1 66 66 GLU H H 1 8.669 0.003 . 1 . . . . . . . . 4668 1 766 . 1 1 66 66 GLU HA H 1 4.698 0.005 . 1 . . . . . . . . 4668 1 767 . 1 1 66 66 GLU HB2 H 1 1.831 0.005 . 2 . . . . . . . . 4668 1 768 . 1 1 66 66 GLU HB3 H 1 2.092 0.008 . 2 . . . . . . . . 4668 1 769 . 1 1 66 66 GLU HG2 H 1 2.261 0.011 . 2 . . . . . . . . 4668 1 770 . 1 1 66 66 GLU HG3 H 1 2.457 0.005 . 2 . . . . . . . . 4668 1 771 . 1 1 66 66 GLU N N 15 118.936 0.064 . 1 . . . . . . . . 4668 1 772 . 1 1 67 67 VAL C C 13 176.832 0.022 . 1 . . . . . . . . 4668 1 773 . 1 1 67 67 VAL CA C 13 65.985 0.045 . 1 . . . . . . . . 4668 1 774 . 1 1 67 67 VAL CB C 13 31.366 0.086 . 1 . . . . . . . . 4668 1 775 . 1 1 67 67 VAL CG1 C 13 21.239 0.060 . 2 . . . . . . . . 4668 1 776 . 1 1 67 67 VAL CG2 C 13 23.261 0.104 . 2 . . . . . . . . 4668 1 777 . 1 1 67 67 VAL H H 1 8.865 0.004 . 1 . . . . . . . . 4668 1 778 . 1 1 67 67 VAL HA H 1 3.279 0.006 . 1 . . . . . . . . 4668 1 779 . 1 1 67 67 VAL HB H 1 1.965 0.006 . 1 . . . . . . . . 4668 1 780 . 1 1 67 67 VAL HG11 H 1 0.940 0.004 . 2 . . . . . . . . 4668 1 781 . 1 1 67 67 VAL HG12 H 1 0.940 0.004 . 2 . . . . . . . . 4668 1 782 . 1 1 67 67 VAL HG13 H 1 0.940 0.004 . 2 . . . . . . . . 4668 1 783 . 1 1 67 67 VAL HG21 H 1 1.039 0.007 . 2 . . . . . . . . 4668 1 784 . 1 1 67 67 VAL HG22 H 1 1.039 0.007 . 2 . . . . . . . . 4668 1 785 . 1 1 67 67 VAL HG23 H 1 1.039 0.007 . 2 . . . . . . . . 4668 1 786 . 1 1 67 67 VAL N N 15 120.992 0.030 . 1 . . . . . . . . 4668 1 787 . 1 1 68 68 GLY C C 13 174.376 0.026 . 1 . . . . . . . . 4668 1 788 . 1 1 68 68 GLY CA C 13 45.095 0.039 . 1 . . . . . . . . 4668 1 789 . 1 1 68 68 GLY H H 1 8.607 0.003 . 1 . . . . . . . . 4668 1 790 . 1 1 68 68 GLY HA2 H 1 4.528 0.006 . 2 . . . . . . . . 4668 1 791 . 1 1 68 68 GLY HA3 H 1 3.756 0.008 . 2 . . . . . . . . 4668 1 792 . 1 1 68 68 GLY N N 15 117.055 0.036 . 1 . . . . . . . . 4668 1 793 . 1 1 69 69 ASP C C 13 174.536 0.010 . 1 . . . . . . . . 4668 1 794 . 1 1 69 69 ASP CA C 13 54.839 0.072 . 1 . . . . . . . . 4668 1 795 . 1 1 69 69 ASP CB C 13 42.703 0.051 . 1 . . . . . . . . 4668 1 796 . 1 1 69 69 ASP H H 1 8.293 0.003 . 1 . . . . . . . . 4668 1 797 . 1 1 69 69 ASP HA H 1 4.668 0.004 . 1 . . . . . . . . 4668 1 798 . 1 1 69 69 ASP HB2 H 1 2.660 0.006 . 2 . . . . . . . . 4668 1 799 . 1 1 69 69 ASP HB3 H 1 3.142 0.009 . 2 . . . . . . . . 4668 1 800 . 1 1 69 69 ASP N N 15 121.680 0.037 . 1 . . . . . . . . 4668 1 801 . 1 1 70 70 GLU C C 13 175.306 0.006 . 1 . . . . . . . . 4668 1 802 . 1 1 70 70 GLU CA C 13 54.268 0.041 . 1 . . . . . . . . 4668 1 803 . 1 1 70 70 GLU CB C 13 34.160 0.082 . 1 . . . . . . . . 4668 1 804 . 1 1 70 70 GLU CG C 13 37.295 0.061 . 1 . . . . . . . . 4668 1 805 . 1 1 70 70 GLU H H 1 8.330 0.004 . 1 . . . . . . . . 4668 1 806 . 1 1 70 70 GLU HA H 1 5.637 0.004 . 1 . . . . . . . . 4668 1 807 . 1 1 70 70 GLU HB2 H 1 1.956 0.000 . 2 . . . . . . . . 4668 1 808 . 1 1 70 70 GLU HB3 H 1 1.853 0.007 . 2 . . . . . . . . 4668 1 809 . 1 1 70 70 GLU N N 15 118.807 0.029 . 1 . . . . . . . . 4668 1 810 . 1 1 70 70 GLU HG2 H 1 2.016 0.000 . 1 . . . . . . . . 4668 1 811 . 1 1 70 70 GLU HG3 H 1 2.016 0.000 . 1 . . . . . . . . 4668 1 812 . 1 1 71 71 LYS C C 13 174.306 0.001 . 1 . . . . . . . . 4668 1 813 . 1 1 71 71 LYS CA C 13 55.553 0.038 . 1 . . . . . . . . 4668 1 814 . 1 1 71 71 LYS CB C 13 37.519 0.083 . 1 . . . . . . . . 4668 1 815 . 1 1 71 71 LYS CD C 13 30.065 0.075 . 1 . . . . . . . . 4668 1 816 . 1 1 71 71 LYS CE C 13 41.710 0.000 . 1 . . . . . . . . 4668 1 817 . 1 1 71 71 LYS CG C 13 24.980 0.175 . 1 . . . . . . . . 4668 1 818 . 1 1 71 71 LYS H H 1 8.932 0.003 . 1 . . . . . . . . 4668 1 819 . 1 1 71 71 LYS HA H 1 4.769 0.005 . 1 . . . . . . . . 4668 1 820 . 1 1 71 71 LYS HB2 H 1 1.696 0.012 . 2 . . . . . . . . 4668 1 821 . 1 1 71 71 LYS HB3 H 1 1.868 0.007 . 2 . . . . . . . . 4668 1 822 . 1 1 71 71 LYS HD2 H 1 1.793 0.000 . 2 . . . . . . . . 4668 1 823 . 1 1 71 71 LYS HD3 H 1 1.655 0.002 . 2 . . . . . . . . 4668 1 824 . 1 1 71 71 LYS HG2 H 1 1.463 0.009 . 2 . . . . . . . . 4668 1 825 . 1 1 71 71 LYS HG3 H 1 1.345 0.012 . 2 . . . . . . . . 4668 1 826 . 1 1 71 71 LYS N N 15 126.019 0.045 . 1 . . . . . . . . 4668 1 827 . 1 1 71 71 LYS HE2 H 1 3.056 0.007 . 1 . . . . . . . . 4668 1 828 . 1 1 71 71 LYS HE3 H 1 3.056 0.007 . 1 . . . . . . . . 4668 1 829 . 1 1 72 72 THR C C 13 174.149 0.007 . 1 . . . . . . . . 4668 1 830 . 1 1 72 72 THR CA C 13 62.041 0.067 . 1 . . . . . . . . 4668 1 831 . 1 1 72 72 THR CB C 13 70.254 0.062 . 1 . . . . . . . . 4668 1 832 . 1 1 72 72 THR CG2 C 13 21.484 0.054 . 1 . . . . . . . . 4668 1 833 . 1 1 72 72 THR H H 1 8.762 0.005 . 1 . . . . . . . . 4668 1 834 . 1 1 72 72 THR HA H 1 5.730 0.005 . 1 . . . . . . . . 4668 1 835 . 1 1 72 72 THR HB H 1 3.937 0.004 . 1 . . . . . . . . 4668 1 836 . 1 1 72 72 THR HG21 H 1 1.069 0.007 . 1 . . . . . . . . 4668 1 837 . 1 1 72 72 THR HG22 H 1 1.069 0.007 . 1 . . . . . . . . 4668 1 838 . 1 1 72 72 THR HG23 H 1 1.069 0.007 . 1 . . . . . . . . 4668 1 839 . 1 1 72 72 THR N N 15 121.912 0.037 . 1 . . . . . . . . 4668 1 840 . 1 1 73 73 VAL C C 13 172.592 0.002 . 1 . . . . . . . . 4668 1 841 . 1 1 73 73 VAL CA C 13 59.041 0.045 . 1 . . . . . . . . 4668 1 842 . 1 1 73 73 VAL CB C 13 35.853 0.093 . 1 . . . . . . . . 4668 1 843 . 1 1 73 73 VAL CG1 C 13 20.367 0.171 . 1 . . . . . . . . 4668 1 844 . 1 1 73 73 VAL CG2 C 13 20.367 0.171 . 1 . . . . . . . . 4668 1 845 . 1 1 73 73 VAL H H 1 9.588 0.004 . 1 . . . . . . . . 4668 1 846 . 1 1 73 73 VAL HA H 1 4.715 0.006 . 1 . . . . . . . . 4668 1 847 . 1 1 73 73 VAL HB H 1 2.013 0.007 . 1 . . . . . . . . 4668 1 848 . 1 1 73 73 VAL N N 15 124.417 0.034 . 1 . . . . . . . . 4668 1 849 . 1 1 73 73 VAL HG11 H 1 0.939 0.004 . 1 . . . . . . . . 4668 1 850 . 1 1 73 73 VAL HG12 H 1 0.939 0.004 . 1 . . . . . . . . 4668 1 851 . 1 1 73 73 VAL HG13 H 1 0.939 0.004 . 1 . . . . . . . . 4668 1 852 . 1 1 73 73 VAL HG21 H 1 0.939 0.004 . 1 . . . . . . . . 4668 1 853 . 1 1 73 73 VAL HG22 H 1 0.939 0.004 . 1 . . . . . . . . 4668 1 854 . 1 1 73 73 VAL HG23 H 1 0.939 0.004 . 1 . . . . . . . . 4668 1 855 . 1 1 74 74 LYS C C 13 175.907 0.011 . 1 . . . . . . . . 4668 1 856 . 1 1 74 74 LYS CA C 13 55.579 0.054 . 1 . . . . . . . . 4668 1 857 . 1 1 74 74 LYS CB C 13 32.792 0.080 . 1 . . . . . . . . 4668 1 858 . 1 1 74 74 LYS CD C 13 29.403 0.103 . 1 . . . . . . . . 4668 1 859 . 1 1 74 74 LYS CE C 13 41.923 0.004 . 1 . . . . . . . . 4668 1 860 . 1 1 74 74 LYS CG C 13 25.408 0.078 . 1 . . . . . . . . 4668 1 861 . 1 1 74 74 LYS H H 1 8.651 0.004 . 1 . . . . . . . . 4668 1 862 . 1 1 74 74 LYS HA H 1 5.027 0.005 . 1 . . . . . . . . 4668 1 863 . 1 1 74 74 LYS HB2 H 1 1.730 0.003 . 2 . . . . . . . . 4668 1 864 . 1 1 74 74 LYS HB3 H 1 1.914 0.006 . 2 . . . . . . . . 4668 1 865 . 1 1 74 74 LYS HG2 H 1 1.195 0.008 . 2 . . . . . . . . 4668 1 866 . 1 1 74 74 LYS HG3 H 1 1.363 0.005 . 2 . . . . . . . . 4668 1 867 . 1 1 74 74 LYS N N 15 125.822 0.033 . 1 . . . . . . . . 4668 1 868 . 1 1 74 74 LYS HD2 H 1 1.722 0.002 . 1 . . . . . . . . 4668 1 869 . 1 1 74 74 LYS HD3 H 1 1.722 0.002 . 1 . . . . . . . . 4668 1 870 . 1 1 74 74 LYS HE2 H 1 2.925 0.005 . 1 . . . . . . . . 4668 1 871 . 1 1 74 74 LYS HE3 H 1 2.925 0.005 . 1 . . . . . . . . 4668 1 872 . 1 1 75 75 ILE C C 13 172.559 0.000 . 1 . . . . . . . . 4668 1 873 . 1 1 75 75 ILE CA C 13 57.872 0.041 . 1 . . . . . . . . 4668 1 874 . 1 1 75 75 ILE CB C 13 40.250 0.064 . 1 . . . . . . . . 4668 1 875 . 1 1 75 75 ILE CD1 C 13 13.162 0.075 . 1 . . . . . . . . 4668 1 876 . 1 1 75 75 ILE CG1 C 13 27.489 0.093 . 1 . . . . . . . . 4668 1 877 . 1 1 75 75 ILE CG2 C 13 19.233 0.071 . 1 . . . . . . . . 4668 1 878 . 1 1 75 75 ILE H H 1 9.936 0.002 . 1 . . . . . . . . 4668 1 879 . 1 1 75 75 ILE HA H 1 4.672 0.009 . 1 . . . . . . . . 4668 1 880 . 1 1 75 75 ILE HB H 1 1.919 0.006 . 1 . . . . . . . . 4668 1 881 . 1 1 75 75 ILE HD11 H 1 0.590 0.004 . 1 . . . . . . . . 4668 1 882 . 1 1 75 75 ILE HD12 H 1 0.590 0.004 . 1 . . . . . . . . 4668 1 883 . 1 1 75 75 ILE HD13 H 1 0.590 0.004 . 1 . . . . . . . . 4668 1 884 . 1 1 75 75 ILE HG12 H 1 0.994 0.010 . 2 . . . . . . . . 4668 1 885 . 1 1 75 75 ILE HG13 H 1 1.756 0.005 . 2 . . . . . . . . 4668 1 886 . 1 1 75 75 ILE HG21 H 1 0.933 0.003 . 1 . . . . . . . . 4668 1 887 . 1 1 75 75 ILE HG22 H 1 0.933 0.003 . 1 . . . . . . . . 4668 1 888 . 1 1 75 75 ILE HG23 H 1 0.933 0.003 . 1 . . . . . . . . 4668 1 889 . 1 1 75 75 ILE N N 15 130.051 0.056 . 1 . . . . . . . . 4668 1 890 . 1 1 76 76 PRO C C 13 177.893 0.017 . 1 . . . . . . . . 4668 1 891 . 1 1 76 76 PRO CA C 13 61.808 0.060 . 1 . . . . . . . . 4668 1 892 . 1 1 76 76 PRO CB C 13 32.839 0.062 . 1 . . . . . . . . 4668 1 893 . 1 1 76 76 PRO CD C 13 51.315 0.083 . 1 . . . . . . . . 4668 1 894 . 1 1 76 76 PRO CG C 13 27.478 0.039 . 1 . . . . . . . . 4668 1 895 . 1 1 76 76 PRO HA H 1 4.582 0.010 . 1 . . . . . . . . 4668 1 896 . 1 1 76 76 PRO HB2 H 1 2.414 0.005 . 2 . . . . . . . . 4668 1 897 . 1 1 76 76 PRO HB3 H 1 2.115 0.009 . 2 . . . . . . . . 4668 1 898 . 1 1 76 76 PRO HD2 H 1 3.905 0.007 . 2 . . . . . . . . 4668 1 899 . 1 1 76 76 PRO HD3 H 1 3.761 0.004 . 2 . . . . . . . . 4668 1 900 . 1 1 76 76 PRO HG2 H 1 1.915 0.010 . 1 . . . . . . . . 4668 1 901 . 1 1 76 76 PRO HG3 H 1 1.915 0.010 . 1 . . . . . . . . 4668 1 902 . 1 1 77 77 ALA C C 13 180.625 0.021 . 1 . . . . . . . . 4668 1 903 . 1 1 77 77 ALA CA C 13 56.191 0.063 . 1 . . . . . . . . 4668 1 904 . 1 1 77 77 ALA CB C 13 18.311 0.065 . 1 . . . . . . . . 4668 1 905 . 1 1 77 77 ALA H H 1 8.775 0.003 . 1 . . . . . . . . 4668 1 906 . 1 1 77 77 ALA HA H 1 4.146 0.005 . 1 . . . . . . . . 4668 1 907 . 1 1 77 77 ALA HB1 H 1 1.202 0.007 . 1 . . . . . . . . 4668 1 908 . 1 1 77 77 ALA HB2 H 1 1.202 0.007 . 1 . . . . . . . . 4668 1 909 . 1 1 77 77 ALA HB3 H 1 1.202 0.007 . 1 . . . . . . . . 4668 1 910 . 1 1 77 77 ALA N N 15 123.943 0.055 . 1 . . . . . . . . 4668 1 911 . 1 1 78 78 GLU C C 13 177.655 0.011 . 1 . . . . . . . . 4668 1 912 . 1 1 78 78 GLU CA C 13 59.707 0.025 . 1 . . . . . . . . 4668 1 913 . 1 1 78 78 GLU CB C 13 29.201 0.043 . 1 . . . . . . . . 4668 1 914 . 1 1 78 78 GLU CG C 13 36.391 0.000 . 1 . . . . . . . . 4668 1 915 . 1 1 78 78 GLU H H 1 9.320 0.004 . 1 . . . . . . . . 4668 1 916 . 1 1 78 78 GLU HA H 1 3.976 0.012 . 1 . . . . . . . . 4668 1 917 . 1 1 78 78 GLU N N 15 115.682 0.021 . 1 . . . . . . . . 4668 1 918 . 1 1 78 78 GLU HB2 H 1 2.045 0.011 . 1 . . . . . . . . 4668 1 919 . 1 1 78 78 GLU HB3 H 1 2.045 0.011 . 1 . . . . . . . . 4668 1 920 . 1 1 78 78 GLU HG2 H 1 2.300 0.002 . 1 . . . . . . . . 4668 1 921 . 1 1 78 78 GLU HG3 H 1 2.300 0.002 . 1 . . . . . . . . 4668 1 922 . 1 1 79 79 LYS C C 13 173.198 0.003 . 1 . . . . . . . . 4668 1 923 . 1 1 79 79 LYS CA C 13 55.215 0.072 . 1 . . . . . . . . 4668 1 924 . 1 1 79 79 LYS CB C 13 33.889 0.078 . 1 . . . . . . . . 4668 1 925 . 1 1 79 79 LYS CD C 13 29.823 0.153 . 1 . . . . . . . . 4668 1 926 . 1 1 79 79 LYS CE C 13 42.166 0.035 . 1 . . . . . . . . 4668 1 927 . 1 1 79 79 LYS CG C 13 25.593 0.145 . 1 . . . . . . . . 4668 1 928 . 1 1 79 79 LYS H H 1 8.073 0.001 . 1 . . . . . . . . 4668 1 929 . 1 1 79 79 LYS HA H 1 4.492 0.004 . 1 . . . . . . . . 4668 1 930 . 1 1 79 79 LYS HB2 H 1 1.606 0.004 . 2 . . . . . . . . 4668 1 931 . 1 1 79 79 LYS HB3 H 1 1.788 0.009 . 2 . . . . . . . . 4668 1 932 . 1 1 79 79 LYS HD2 H 1 1.638 0.000 . 2 . . . . . . . . 4668 1 933 . 1 1 79 79 LYS HD3 H 1 1.585 0.001 . 2 . . . . . . . . 4668 1 934 . 1 1 79 79 LYS HG2 H 1 1.480 0.004 . 2 . . . . . . . . 4668 1 935 . 1 1 79 79 LYS HG3 H 1 1.256 0.006 . 2 . . . . . . . . 4668 1 936 . 1 1 79 79 LYS N N 15 117.629 0.015 . 1 . . . . . . . . 4668 1 937 . 1 1 79 79 LYS HE2 H 1 2.955 0.009 . 1 . . . . . . . . 4668 1 938 . 1 1 79 79 LYS HE3 H 1 2.955 0.009 . 1 . . . . . . . . 4668 1 939 . 1 1 80 80 ALA C C 13 175.920 0.024 . 1 . . . . . . . . 4668 1 940 . 1 1 80 80 ALA CA C 13 50.665 0.058 . 1 . . . . . . . . 4668 1 941 . 1 1 80 80 ALA CB C 13 18.684 0.082 . 1 . . . . . . . . 4668 1 942 . 1 1 80 80 ALA H H 1 7.917 0.002 . 1 . . . . . . . . 4668 1 943 . 1 1 80 80 ALA HA H 1 4.558 0.012 . 1 . . . . . . . . 4668 1 944 . 1 1 80 80 ALA HB1 H 1 1.417 0.006 . 1 . . . . . . . . 4668 1 945 . 1 1 80 80 ALA HB2 H 1 1.417 0.006 . 1 . . . . . . . . 4668 1 946 . 1 1 80 80 ALA HB3 H 1 1.417 0.006 . 1 . . . . . . . . 4668 1 947 . 1 1 80 80 ALA N N 15 125.607 0.038 . 1 . . . . . . . . 4668 1 948 . 1 1 81 81 TYR C C 13 174.858 0.013 . 1 . . . . . . . . 4668 1 949 . 1 1 81 81 TYR CA C 13 60.000 0.036 . 1 . . . . . . . . 4668 1 950 . 1 1 81 81 TYR CB C 13 36.875 0.063 . 1 . . . . . . . . 4668 1 951 . 1 1 81 81 TYR H H 1 8.772 0.003 . 1 . . . . . . . . 4668 1 952 . 1 1 81 81 TYR HA H 1 4.258 0.006 . 1 . . . . . . . . 4668 1 953 . 1 1 81 81 TYR HB2 H 1 2.123 0.008 . 2 . . . . . . . . 4668 1 954 . 1 1 81 81 TYR HB3 H 1 2.812 0.008 . 2 . . . . . . . . 4668 1 955 . 1 1 81 81 TYR N N 15 121.282 0.029 . 1 . . . . . . . . 4668 1 956 . 1 1 82 82 GLY C C 13 172.996 0.028 . 1 . . . . . . . . 4668 1 957 . 1 1 82 82 GLY CA C 13 44.463 0.056 . 1 . . . . . . . . 4668 1 958 . 1 1 82 82 GLY H H 1 8.236 0.003 . 1 . . . . . . . . 4668 1 959 . 1 1 82 82 GLY HA2 H 1 3.637 0.007 . 2 . . . . . . . . 4668 1 960 . 1 1 82 82 GLY HA3 H 1 4.370 0.004 . 2 . . . . . . . . 4668 1 961 . 1 1 82 82 GLY N N 15 108.016 0.039 . 1 . . . . . . . . 4668 1 962 . 1 1 83 83 ASN C C 13 176.623 0.047 . 1 . . . . . . . . 4668 1 963 . 1 1 83 83 ASN CA C 13 53.022 0.040 . 1 . . . . . . . . 4668 1 964 . 1 1 83 83 ASN CB C 13 39.721 0.054 . 1 . . . . . . . . 4668 1 965 . 1 1 83 83 ASN CG C 13 175.937 0.013 . 1 . . . . . . . . 4668 1 966 . 1 1 83 83 ASN H H 1 8.672 0.005 . 1 . . . . . . . . 4668 1 967 . 1 1 83 83 ASN HA H 1 4.670 0.010 . 1 . . . . . . . . 4668 1 968 . 1 1 83 83 ASN HB2 H 1 2.637 0.006 . 2 . . . . . . . . 4668 1 969 . 1 1 83 83 ASN HB3 H 1 2.882 0.005 . 2 . . . . . . . . 4668 1 970 . 1 1 83 83 ASN HD21 H 1 7.636 0.003 . 1 . . . . . . . . 4668 1 971 . 1 1 83 83 ASN HD22 H 1 7.167 0.006 . 1 . . . . . . . . 4668 1 972 . 1 1 83 83 ASN N N 15 116.191 0.061 . 1 . . . . . . . . 4668 1 973 . 1 1 83 83 ASN ND2 N 15 112.610 0.018 . 1 . . . . . . . . 4668 1 974 . 1 1 84 84 ARG C C 13 175.715 0.007 . 1 . . . . . . . . 4668 1 975 . 1 1 84 84 ARG CA C 13 57.915 0.044 . 1 . . . . . . . . 4668 1 976 . 1 1 84 84 ARG CB C 13 30.723 0.066 . 1 . . . . . . . . 4668 1 977 . 1 1 84 84 ARG CD C 13 42.432 0.078 . 1 . . . . . . . . 4668 1 978 . 1 1 84 84 ARG CG C 13 28.783 0.085 . 1 . . . . . . . . 4668 1 979 . 1 1 84 84 ARG H H 1 9.028 0.004 . 1 . . . . . . . . 4668 1 980 . 1 1 84 84 ARG HA H 1 3.864 0.004 . 1 . . . . . . . . 4668 1 981 . 1 1 84 84 ARG HD2 H 1 3.277 0.002 . 2 . . . . . . . . 4668 1 982 . 1 1 84 84 ARG HD3 H 1 3.128 0.004 . 2 . . . . . . . . 4668 1 983 . 1 1 84 84 ARG HG2 H 1 1.339 0.001 . 2 . . . . . . . . 4668 1 984 . 1 1 84 84 ARG HG3 H 1 1.402 0.004 . 2 . . . . . . . . 4668 1 985 . 1 1 84 84 ARG N N 15 121.072 0.053 . 1 . . . . . . . . 4668 1 986 . 1 1 84 84 ARG HB2 H 1 1.603 0.014 . 1 . . . . . . . . 4668 1 987 . 1 1 84 84 ARG HB3 H 1 1.603 0.014 . 1 . . . . . . . . 4668 1 988 . 1 1 85 85 ASN C C 13 177.878 0.013 . 1 . . . . . . . . 4668 1 989 . 1 1 85 85 ASN CA C 13 51.604 0.069 . 1 . . . . . . . . 4668 1 990 . 1 1 85 85 ASN CB C 13 39.767 0.040 . 1 . . . . . . . . 4668 1 991 . 1 1 85 85 ASN CG C 13 177.170 0.022 . 1 . . . . . . . . 4668 1 992 . 1 1 85 85 ASN H H 1 9.289 0.003 . 1 . . . . . . . . 4668 1 993 . 1 1 85 85 ASN HA H 1 5.001 0.005 . 1 . . . . . . . . 4668 1 994 . 1 1 85 85 ASN HB2 H 1 2.854 0.013 . 2 . . . . . . . . 4668 1 995 . 1 1 85 85 ASN HB3 H 1 3.103 0.005 . 2 . . . . . . . . 4668 1 996 . 1 1 85 85 ASN HD21 H 1 7.820 0.003 . 1 . . . . . . . . 4668 1 997 . 1 1 85 85 ASN HD22 H 1 7.139 0.006 . 1 . . . . . . . . 4668 1 998 . 1 1 85 85 ASN N N 15 121.990 0.056 . 1 . . . . . . . . 4668 1 999 . 1 1 85 85 ASN ND2 N 15 110.921 0.036 . 1 . . . . . . . . 4668 1 1000 . 1 1 86 86 GLU C C 13 177.683 0.012 . 1 . . . . . . . . 4668 1 1001 . 1 1 86 86 GLU CA C 13 58.473 0.060 . 1 . . . . . . . . 4668 1 1002 . 1 1 86 86 GLU CB C 13 28.655 0.089 . 1 . . . . . . . . 4668 1 1003 . 1 1 86 86 GLU CG C 13 35.775 0.057 . 1 . . . . . . . . 4668 1 1004 . 1 1 86 86 GLU H H 1 9.679 0.003 . 1 . . . . . . . . 4668 1 1005 . 1 1 86 86 GLU HA H 1 4.187 0.008 . 1 . . . . . . . . 4668 1 1006 . 1 1 86 86 GLU HB2 H 1 2.025 0.009 . 2 . . . . . . . . 4668 1 1007 . 1 1 86 86 GLU HB3 H 1 2.284 0.002 . 2 . . . . . . . . 4668 1 1008 . 1 1 86 86 GLU HG2 H 1 2.372 0.001 . 2 . . . . . . . . 4668 1 1009 . 1 1 86 86 GLU HG3 H 1 2.462 0.009 . 2 . . . . . . . . 4668 1 1010 . 1 1 86 86 GLU N N 15 128.041 0.026 . 1 . . . . . . . . 4668 1 1011 . 1 1 87 87 MET C C 13 177.445 0.016 . 1 . . . . . . . . 4668 1 1012 . 1 1 87 87 MET CA C 13 56.201 0.051 . 1 . . . . . . . . 4668 1 1013 . 1 1 87 87 MET CB C 13 31.443 0.047 . 1 . . . . . . . . 4668 1 1014 . 1 1 87 87 MET CG C 13 32.683 0.102 . 1 . . . . . . . . 4668 1 1015 . 1 1 87 87 MET H H 1 8.416 0.002 . 1 . . . . . . . . 4668 1 1016 . 1 1 87 87 MET HA H 1 4.583 0.006 . 1 . . . . . . . . 4668 1 1017 . 1 1 87 87 MET HB2 H 1 2.136 0.002 . 2 . . . . . . . . 4668 1 1018 . 1 1 87 87 MET HB3 H 1 2.233 0.009 . 2 . . . . . . . . 4668 1 1019 . 1 1 87 87 MET HG2 H 1 2.651 0.007 . 2 . . . . . . . . 4668 1 1020 . 1 1 87 87 MET HG3 H 1 2.804 0.007 . 2 . . . . . . . . 4668 1 1021 . 1 1 87 87 MET N N 15 115.779 0.032 . 1 . . . . . . . . 4668 1 1022 . 1 1 88 88 LEU C C 13 174.442 0.008 . 1 . . . . . . . . 4668 1 1023 . 1 1 88 88 LEU CA C 13 54.144 0.047 . 1 . . . . . . . . 4668 1 1024 . 1 1 88 88 LEU CB C 13 41.180 0.051 . 1 . . . . . . . . 4668 1 1025 . 1 1 88 88 LEU CD1 C 13 22.072 0.129 . 2 . . . . . . . . 4668 1 1026 . 1 1 88 88 LEU CD2 C 13 25.551 0.073 . 2 . . . . . . . . 4668 1 1027 . 1 1 88 88 LEU CG C 13 26.982 0.103 . 1 . . . . . . . . 4668 1 1028 . 1 1 88 88 LEU H H 1 7.452 0.003 . 1 . . . . . . . . 4668 1 1029 . 1 1 88 88 LEU HA H 1 4.544 0.004 . 1 . . . . . . . . 4668 1 1030 . 1 1 88 88 LEU HD11 H 1 0.808 0.007 . 2 . . . . . . . . 4668 1 1031 . 1 1 88 88 LEU HD12 H 1 0.808 0.007 . 2 . . . . . . . . 4668 1 1032 . 1 1 88 88 LEU HD13 H 1 0.808 0.007 . 2 . . . . . . . . 4668 1 1033 . 1 1 88 88 LEU HD21 H 1 0.972 0.011 . 2 . . . . . . . . 4668 1 1034 . 1 1 88 88 LEU HD22 H 1 0.972 0.011 . 2 . . . . . . . . 4668 1 1035 . 1 1 88 88 LEU HD23 H 1 0.972 0.011 . 2 . . . . . . . . 4668 1 1036 . 1 1 88 88 LEU HG H 1 1.512 0.011 . 1 . . . . . . . . 4668 1 1037 . 1 1 88 88 LEU N N 15 118.822 0.038 . 1 . . . . . . . . 4668 1 1038 . 1 1 88 88 LEU HB2 H 1 1.897 0.006 . 1 . . . . . . . . 4668 1 1039 . 1 1 88 88 LEU HB3 H 1 1.897 0.006 . 1 . . . . . . . . 4668 1 1040 . 1 1 89 89 ILE C C 13 176.211 0.002 . 1 . . . . . . . . 4668 1 1041 . 1 1 89 89 ILE CA C 13 60.425 0.050 . 1 . . . . . . . . 4668 1 1042 . 1 1 89 89 ILE CB C 13 38.694 0.079 . 1 . . . . . . . . 4668 1 1043 . 1 1 89 89 ILE CD1 C 13 13.461 0.069 . 1 . . . . . . . . 4668 1 1044 . 1 1 89 89 ILE CG1 C 13 27.791 0.100 . 1 . . . . . . . . 4668 1 1045 . 1 1 89 89 ILE CG2 C 13 18.069 0.059 . 1 . . . . . . . . 4668 1 1046 . 1 1 89 89 ILE H H 1 7.174 0.003 . 1 . . . . . . . . 4668 1 1047 . 1 1 89 89 ILE HA H 1 5.247 0.004 . 1 . . . . . . . . 4668 1 1048 . 1 1 89 89 ILE HB H 1 1.917 0.007 . 1 . . . . . . . . 4668 1 1049 . 1 1 89 89 ILE HD11 H 1 0.877 0.005 . 1 . . . . . . . . 4668 1 1050 . 1 1 89 89 ILE HD12 H 1 0.877 0.005 . 1 . . . . . . . . 4668 1 1051 . 1 1 89 89 ILE HD13 H 1 0.877 0.005 . 1 . . . . . . . . 4668 1 1052 . 1 1 89 89 ILE HG12 H 1 1.097 0.009 . 2 . . . . . . . . 4668 1 1053 . 1 1 89 89 ILE HG13 H 1 1.499 0.010 . 2 . . . . . . . . 4668 1 1054 . 1 1 89 89 ILE HG21 H 1 0.834 0.000 . 1 . . . . . . . . 4668 1 1055 . 1 1 89 89 ILE HG22 H 1 0.834 0.000 . 1 . . . . . . . . 4668 1 1056 . 1 1 89 89 ILE HG23 H 1 0.834 0.000 . 1 . . . . . . . . 4668 1 1057 . 1 1 89 89 ILE N N 15 120.110 0.058 . 1 . . . . . . . . 4668 1 1058 . 1 1 90 90 GLN C C 13 173.953 0.002 . 1 . . . . . . . . 4668 1 1059 . 1 1 90 90 GLN CA C 13 54.429 0.057 . 1 . . . . . . . . 4668 1 1060 . 1 1 90 90 GLN CB C 13 33.566 0.028 . 1 . . . . . . . . 4668 1 1061 . 1 1 90 90 GLN CD C 13 179.375 0.016 . 1 . . . . . . . . 4668 1 1062 . 1 1 90 90 GLN CG C 13 33.611 0.044 . 1 . . . . . . . . 4668 1 1063 . 1 1 90 90 GLN H H 1 9.480 0.003 . 1 . . . . . . . . 4668 1 1064 . 1 1 90 90 GLN HA H 1 4.836 0.008 . 1 . . . . . . . . 4668 1 1065 . 1 1 90 90 GLN HE21 H 1 7.201 0.004 . 1 . . . . . . . . 4668 1 1066 . 1 1 90 90 GLN HE22 H 1 6.677 0.007 . 1 . . . . . . . . 4668 1 1067 . 1 1 90 90 GLN HG2 H 1 2.009 0.011 . 2 . . . . . . . . 4668 1 1068 . 1 1 90 90 GLN HG3 H 1 2.264 0.015 . 2 . . . . . . . . 4668 1 1069 . 1 1 90 90 GLN N N 15 126.787 0.035 . 1 . . . . . . . . 4668 1 1070 . 1 1 90 90 GLN NE2 N 15 110.279 0.006 . 1 . . . . . . . . 4668 1 1071 . 1 1 90 90 GLN HB2 H 1 2.392 0.007 . 1 . . . . . . . . 4668 1 1072 . 1 1 90 90 GLN HB3 H 1 2.392 0.007 . 1 . . . . . . . . 4668 1 1073 . 1 1 91 91 LYS C C 13 176.345 0.017 . 1 . . . . . . . . 4668 1 1074 . 1 1 91 91 LYS CA C 13 55.487 0.062 . 1 . . . . . . . . 4668 1 1075 . 1 1 91 91 LYS CB C 13 33.995 0.065 . 1 . . . . . . . . 4668 1 1076 . 1 1 91 91 LYS CD C 13 29.335 0.087 . 1 . . . . . . . . 4668 1 1077 . 1 1 91 91 LYS CE C 13 42.351 0.024 . 1 . . . . . . . . 4668 1 1078 . 1 1 91 91 LYS CG C 13 25.439 0.108 . 1 . . . . . . . . 4668 1 1079 . 1 1 91 91 LYS H H 1 8.695 0.003 . 1 . . . . . . . . 4668 1 1080 . 1 1 91 91 LYS HA H 1 5.280 0.006 . 1 . . . . . . . . 4668 1 1081 . 1 1 91 91 LYS HB2 H 1 1.748 0.004 . 2 . . . . . . . . 4668 1 1082 . 1 1 91 91 LYS HB3 H 1 1.528 0.006 . 2 . . . . . . . . 4668 1 1083 . 1 1 91 91 LYS HD2 H 1 1.621 0.000 . 2 . . . . . . . . 4668 1 1084 . 1 1 91 91 LYS HD3 H 1 1.568 0.002 . 2 . . . . . . . . 4668 1 1085 . 1 1 91 91 LYS HG2 H 1 1.481 0.000 . 2 . . . . . . . . 4668 1 1086 . 1 1 91 91 LYS HG3 H 1 1.421 0.000 . 2 . . . . . . . . 4668 1 1087 . 1 1 91 91 LYS N N 15 123.001 0.036 . 1 . . . . . . . . 4668 1 1088 . 1 1 91 91 LYS HE2 H 1 2.899 0.004 . 1 . . . . . . . . 4668 1 1089 . 1 1 91 91 LYS HE3 H 1 2.899 0.004 . 1 . . . . . . . . 4668 1 1090 . 1 1 92 92 ILE C C 13 172.963 0.000 . 1 . . . . . . . . 4668 1 1091 . 1 1 92 92 ILE CA C 13 57.511 0.083 . 1 . . . . . . . . 4668 1 1092 . 1 1 92 92 ILE CB C 13 40.824 0.037 . 1 . . . . . . . . 4668 1 1093 . 1 1 92 92 ILE CD1 C 13 13.447 0.022 . 1 . . . . . . . . 4668 1 1094 . 1 1 92 92 ILE CG1 C 13 26.654 0.098 . 1 . . . . . . . . 4668 1 1095 . 1 1 92 92 ILE CG2 C 13 17.444 0.066 . 1 . . . . . . . . 4668 1 1096 . 1 1 92 92 ILE H H 1 9.373 0.003 . 1 . . . . . . . . 4668 1 1097 . 1 1 92 92 ILE HA H 1 4.959 0.003 . 1 . . . . . . . . 4668 1 1098 . 1 1 92 92 ILE HB H 1 2.042 0.007 . 1 . . . . . . . . 4668 1 1099 . 1 1 92 92 ILE HD11 H 1 0.854 0.004 . 1 . . . . . . . . 4668 1 1100 . 1 1 92 92 ILE HD12 H 1 0.854 0.004 . 1 . . . . . . . . 4668 1 1101 . 1 1 92 92 ILE HD13 H 1 0.854 0.004 . 1 . . . . . . . . 4668 1 1102 . 1 1 92 92 ILE HG12 H 1 1.561 0.007 . 2 . . . . . . . . 4668 1 1103 . 1 1 92 92 ILE HG13 H 1 1.276 0.007 . 2 . . . . . . . . 4668 1 1104 . 1 1 92 92 ILE HG21 H 1 1.026 0.008 . 1 . . . . . . . . 4668 1 1105 . 1 1 92 92 ILE HG22 H 1 1.026 0.008 . 1 . . . . . . . . 4668 1 1106 . 1 1 92 92 ILE HG23 H 1 1.026 0.008 . 1 . . . . . . . . 4668 1 1107 . 1 1 92 92 ILE N N 15 123.672 0.042 . 1 . . . . . . . . 4668 1 1108 . 1 1 93 93 PRO C C 13 177.880 0.032 . 1 . . . . . . . . 4668 1 1109 . 1 1 93 93 PRO CA C 13 62.935 0.063 . 1 . . . . . . . . 4668 1 1110 . 1 1 93 93 PRO CB C 13 32.341 0.067 . 1 . . . . . . . . 4668 1 1111 . 1 1 93 93 PRO CD C 13 51.166 0.031 . 1 . . . . . . . . 4668 1 1112 . 1 1 93 93 PRO CG C 13 28.198 0.064 . 1 . . . . . . . . 4668 1 1113 . 1 1 93 93 PRO HA H 1 4.726 0.005 . 1 . . . . . . . . 4668 1 1114 . 1 1 93 93 PRO HB2 H 1 2.590 0.008 . 2 . . . . . . . . 4668 1 1115 . 1 1 93 93 PRO HB3 H 1 2.095 0.004 . 2 . . . . . . . . 4668 1 1116 . 1 1 93 93 PRO HD2 H 1 3.772 0.002 . 2 . . . . . . . . 4668 1 1117 . 1 1 93 93 PRO HD3 H 1 3.954 0.005 . 2 . . . . . . . . 4668 1 1118 . 1 1 93 93 PRO HG2 H 1 2.205 0.001 . 2 . . . . . . . . 4668 1 1119 . 1 1 93 93 PRO HG3 H 1 2.118 0.000 . 2 . . . . . . . . 4668 1 1120 . 1 1 94 94 ARG C C 13 178.527 0.010 . 1 . . . . . . . . 4668 1 1121 . 1 1 94 94 ARG CA C 13 58.681 0.048 . 1 . . . . . . . . 4668 1 1122 . 1 1 94 94 ARG CB C 13 29.893 0.069 . 1 . . . . . . . . 4668 1 1123 . 1 1 94 94 ARG CD C 13 43.026 0.064 . 1 . . . . . . . . 4668 1 1124 . 1 1 94 94 ARG CG C 13 27.793 0.111 . 1 . . . . . . . . 4668 1 1125 . 1 1 94 94 ARG H H 1 8.072 0.003 . 1 . . . . . . . . 4668 1 1126 . 1 1 94 94 ARG HA H 1 4.088 0.005 . 1 . . . . . . . . 4668 1 1127 . 1 1 94 94 ARG HB2 H 1 1.970 0.006 . 2 . . . . . . . . 4668 1 1128 . 1 1 94 94 ARG HB3 H 1 1.476 0.010 . 2 . . . . . . . . 4668 1 1129 . 1 1 94 94 ARG HD2 H 1 3.098 0.000 . 2 . . . . . . . . 4668 1 1130 . 1 1 94 94 ARG HD3 H 1 3.172 0.002 . 2 . . . . . . . . 4668 1 1131 . 1 1 94 94 ARG HG2 H 1 1.595 0.013 . 2 . . . . . . . . 4668 1 1132 . 1 1 94 94 ARG HG3 H 1 1.758 0.005 . 2 . . . . . . . . 4668 1 1133 . 1 1 94 94 ARG N N 15 123.879 0.041 . 1 . . . . . . . . 4668 1 1134 . 1 1 95 95 ASP C C 13 177.405 0.019 . 1 . . . . . . . . 4668 1 1135 . 1 1 95 95 ASP CA C 13 56.118 0.024 . 1 . . . . . . . . 4668 1 1136 . 1 1 95 95 ASP CB C 13 40.204 0.061 . 1 . . . . . . . . 4668 1 1137 . 1 1 95 95 ASP H H 1 8.786 0.005 . 1 . . . . . . . . 4668 1 1138 . 1 1 95 95 ASP HA H 1 4.498 0.007 . 1 . . . . . . . . 4668 1 1139 . 1 1 95 95 ASP N N 15 117.555 0.021 . 1 . . . . . . . . 4668 1 1140 . 1 1 95 95 ASP HB2 H 1 2.748 0.005 . 1 . . . . . . . . 4668 1 1141 . 1 1 95 95 ASP HB3 H 1 2.748 0.005 . 1 . . . . . . . . 4668 1 1142 . 1 1 96 96 ALA C C 13 178.912 0.005 . 1 . . . . . . . . 4668 1 1143 . 1 1 96 96 ALA CA C 13 54.212 0.044 . 1 . . . . . . . . 4668 1 1144 . 1 1 96 96 ALA CB C 13 18.438 0.085 . 1 . . . . . . . . 4668 1 1145 . 1 1 96 96 ALA H H 1 7.996 0.004 . 1 . . . . . . . . 4668 1 1146 . 1 1 96 96 ALA HA H 1 4.194 0.005 . 1 . . . . . . . . 4668 1 1147 . 1 1 96 96 ALA HB1 H 1 1.288 0.006 . 1 . . . . . . . . 4668 1 1148 . 1 1 96 96 ALA HB2 H 1 1.288 0.006 . 1 . . . . . . . . 4668 1 1149 . 1 1 96 96 ALA HB3 H 1 1.288 0.006 . 1 . . . . . . . . 4668 1 1150 . 1 1 96 96 ALA N N 15 122.425 0.013 . 1 . . . . . . . . 4668 1 1151 . 1 1 97 97 PHE C C 13 176.387 0.021 . 1 . . . . . . . . 4668 1 1152 . 1 1 97 97 PHE CA C 13 58.182 0.024 . 1 . . . . . . . . 4668 1 1153 . 1 1 97 97 PHE CB C 13 38.654 0.046 . 1 . . . . . . . . 4668 1 1154 . 1 1 97 97 PHE H H 1 7.823 0.004 . 1 . . . . . . . . 4668 1 1155 . 1 1 97 97 PHE HA H 1 4.407 0.009 . 1 . . . . . . . . 4668 1 1156 . 1 1 97 97 PHE HB2 H 1 3.310 0.011 . 2 . . . . . . . . 4668 1 1157 . 1 1 97 97 PHE HB3 H 1 2.944 0.004 . 2 . . . . . . . . 4668 1 1158 . 1 1 97 97 PHE N N 15 115.109 0.045 . 1 . . . . . . . . 4668 1 1159 . 1 1 98 98 LYS C C 13 177.670 0.009 . 1 . . . . . . . . 4668 1 1160 . 1 1 98 98 LYS CA C 13 59.198 0.037 . 1 . . . . . . . . 4668 1 1161 . 1 1 98 98 LYS CB C 13 32.670 0.081 . 1 . . . . . . . . 4668 1 1162 . 1 1 98 98 LYS CD C 13 29.258 0.110 . 1 . . . . . . . . 4668 1 1163 . 1 1 98 98 LYS CE C 13 42.085 0.071 . 1 . . . . . . . . 4668 1 1164 . 1 1 98 98 LYS CG C 13 24.955 0.106 . 1 . . . . . . . . 4668 1 1165 . 1 1 98 98 LYS H H 1 7.789 0.003 . 1 . . . . . . . . 4668 1 1166 . 1 1 98 98 LYS HA H 1 4.195 0.004 . 1 . . . . . . . . 4668 1 1167 . 1 1 98 98 LYS HB2 H 1 2.007 0.003 . 2 . . . . . . . . 4668 1 1168 . 1 1 98 98 LYS HB3 H 1 1.944 0.015 . 2 . . . . . . . . 4668 1 1169 . 1 1 98 98 LYS N N 15 122.502 0.020 . 1 . . . . . . . . 4668 1 1170 . 1 1 98 98 LYS HD2 H 1 1.767 0.008 . 1 . . . . . . . . 4668 1 1171 . 1 1 98 98 LYS HD3 H 1 1.767 0.008 . 1 . . . . . . . . 4668 1 1172 . 1 1 98 98 LYS HE2 H 1 3.044 0.004 . 1 . . . . . . . . 4668 1 1173 . 1 1 98 98 LYS HE3 H 1 3.044 0.004 . 1 . . . . . . . . 4668 1 1174 . 1 1 98 98 LYS HG2 H 1 1.535 0.005 . 1 . . . . . . . . 4668 1 1175 . 1 1 98 98 LYS HG3 H 1 1.535 0.005 . 1 . . . . . . . . 4668 1 1176 . 1 1 99 99 GLU C C 13 176.313 0.008 . 1 . . . . . . . . 4668 1 1177 . 1 1 99 99 GLU CA C 13 56.271 0.053 . 1 . . . . . . . . 4668 1 1178 . 1 1 99 99 GLU CB C 13 29.368 0.086 . 1 . . . . . . . . 4668 1 1179 . 1 1 99 99 GLU CG C 13 36.535 0.074 . 1 . . . . . . . . 4668 1 1180 . 1 1 99 99 GLU H H 1 8.326 0.004 . 1 . . . . . . . . 4668 1 1181 . 1 1 99 99 GLU HA H 1 4.392 0.007 . 1 . . . . . . . . 4668 1 1182 . 1 1 99 99 GLU HB2 H 1 2.261 0.005 . 2 . . . . . . . . 4668 1 1183 . 1 1 99 99 GLU HB3 H 1 1.878 0.005 . 2 . . . . . . . . 4668 1 1184 . 1 1 99 99 GLU N N 15 117.138 0.066 . 1 . . . . . . . . 4668 1 1185 . 1 1 99 99 GLU HG2 H 1 2.269 0.000 . 1 . . . . . . . . 4668 1 1186 . 1 1 99 99 GLU HG3 H 1 2.269 0.000 . 1 . . . . . . . . 4668 1 1187 . 1 1 100 100 ALA C C 13 177.412 0.013 . 1 . . . . . . . . 4668 1 1188 . 1 1 100 100 ALA CA C 13 52.243 0.060 . 1 . . . . . . . . 4668 1 1189 . 1 1 100 100 ALA CB C 13 19.566 0.078 . 1 . . . . . . . . 4668 1 1190 . 1 1 100 100 ALA H H 1 7.613 0.002 . 1 . . . . . . . . 4668 1 1191 . 1 1 100 100 ALA HA H 1 4.363 0.005 . 1 . . . . . . . . 4668 1 1192 . 1 1 100 100 ALA HB1 H 1 1.318 0.004 . 1 . . . . . . . . 4668 1 1193 . 1 1 100 100 ALA HB2 H 1 1.318 0.004 . 1 . . . . . . . . 4668 1 1194 . 1 1 100 100 ALA HB3 H 1 1.318 0.004 . 1 . . . . . . . . 4668 1 1195 . 1 1 100 100 ALA N N 15 123.005 0.031 . 1 . . . . . . . . 4668 1 1196 . 1 1 101 101 ASP C C 13 174.684 0.013 . 1 . . . . . . . . 4668 1 1197 . 1 1 101 101 ASP CA C 13 54.359 0.015 . 1 . . . . . . . . 4668 1 1198 . 1 1 101 101 ASP CB C 13 40.260 0.084 . 1 . . . . . . . . 4668 1 1199 . 1 1 101 101 ASP H H 1 8.541 0.004 . 1 . . . . . . . . 4668 1 1200 . 1 1 101 101 ASP HA H 1 4.615 0.005 . 1 . . . . . . . . 4668 1 1201 . 1 1 101 101 ASP HB2 H 1 2.872 0.000 . 2 . . . . . . . . 4668 1 1202 . 1 1 101 101 ASP HB3 H 1 2.802 0.000 . 2 . . . . . . . . 4668 1 1203 . 1 1 101 101 ASP N N 15 118.269 0.035 . 1 . . . . . . . . 4668 1 1204 . 1 1 102 102 PHE C C 13 173.358 0.005 . 1 . . . . . . . . 4668 1 1205 . 1 1 102 102 PHE CA C 13 55.537 0.113 . 1 . . . . . . . . 4668 1 1206 . 1 1 102 102 PHE CB C 13 40.900 0.040 . 1 . . . . . . . . 4668 1 1207 . 1 1 102 102 PHE H H 1 7.157 0.003 . 1 . . . . . . . . 4668 1 1208 . 1 1 102 102 PHE HA H 1 4.858 0.004 . 1 . . . . . . . . 4668 1 1209 . 1 1 102 102 PHE HB2 H 1 3.018 0.009 . 2 . . . . . . . . 4668 1 1210 . 1 1 102 102 PHE HB3 H 1 3.146 0.000 . 2 . . . . . . . . 4668 1 1211 . 1 1 102 102 PHE N N 15 114.855 0.053 . 1 . . . . . . . . 4668 1 1212 . 1 1 103 103 GLU C C 13 174.122 0.000 . 1 . . . . . . . . 4668 1 1213 . 1 1 103 103 GLU CA C 13 52.383 0.019 . 1 . . . . . . . . 4668 1 1214 . 1 1 103 103 GLU CB C 13 30.382 0.079 . 1 . . . . . . . . 4668 1 1215 . 1 1 103 103 GLU CG C 13 35.463 0.096 . 1 . . . . . . . . 4668 1 1216 . 1 1 103 103 GLU H H 1 8.406 0.003 . 1 . . . . . . . . 4668 1 1217 . 1 1 103 103 GLU HA H 1 4.739 0.001 . 1 . . . . . . . . 4668 1 1218 . 1 1 103 103 GLU HB2 H 1 1.861 0.004 . 2 . . . . . . . . 4668 1 1219 . 1 1 103 103 GLU HB3 H 1 1.948 0.001 . 2 . . . . . . . . 4668 1 1220 . 1 1 103 103 GLU N N 15 122.134 0.063 . 1 . . . . . . . . 4668 1 1221 . 1 1 103 103 GLU HG2 H 1 2.221 0.001 . 1 . . . . . . . . 4668 1 1222 . 1 1 103 103 GLU HG3 H 1 2.221 0.001 . 1 . . . . . . . . 4668 1 1223 . 1 1 104 104 PRO C C 13 174.348 0.000 . 1 . . . . . . . . 4668 1 1224 . 1 1 104 104 PRO CA C 13 62.790 0.040 . 1 . . . . . . . . 4668 1 1225 . 1 1 104 104 PRO CB C 13 32.176 0.067 . 1 . . . . . . . . 4668 1 1226 . 1 1 104 104 PRO CD C 13 49.814 0.051 . 1 . . . . . . . . 4668 1 1227 . 1 1 104 104 PRO CG C 13 27.111 0.079 . 1 . . . . . . . . 4668 1 1228 . 1 1 104 104 PRO HA H 1 4.104 0.006 . 1 . . . . . . . . 4668 1 1229 . 1 1 104 104 PRO HB2 H 1 1.346 0.002 . 2 . . . . . . . . 4668 1 1230 . 1 1 104 104 PRO HB3 H 1 1.553 0.009 . 2 . . . . . . . . 4668 1 1231 . 1 1 104 104 PRO HD2 H 1 3.274 0.006 . 2 . . . . . . . . 4668 1 1232 . 1 1 104 104 PRO HD3 H 1 3.742 0.008 . 2 . . . . . . . . 4668 1 1233 . 1 1 104 104 PRO HG2 H 1 1.286 0.000 . 2 . . . . . . . . 4668 1 1234 . 1 1 104 104 PRO HG3 H 1 1.830 0.008 . 2 . . . . . . . . 4668 1 1235 . 1 1 105 105 GLU C C 13 174.449 0.003 . 1 . . . . . . . . 4668 1 1236 . 1 1 105 105 GLU CA C 13 54.547 0.051 . 1 . . . . . . . . 4668 1 1237 . 1 1 105 105 GLU CB C 13 34.014 0.065 . 1 . . . . . . . . 4668 1 1238 . 1 1 105 105 GLU CG C 13 36.049 0.000 . 1 . . . . . . . . 4668 1 1239 . 1 1 105 105 GLU H H 1 7.143 0.002 . 1 . . . . . . . . 4668 1 1240 . 1 1 105 105 GLU HA H 1 4.514 0.004 . 1 . . . . . . . . 4668 1 1241 . 1 1 105 105 GLU HB2 H 1 1.842 0.007 . 2 . . . . . . . . 4668 1 1242 . 1 1 105 105 GLU HB3 H 1 2.000 0.011 . 2 . . . . . . . . 4668 1 1243 . 1 1 105 105 GLU N N 15 119.747 0.046 . 1 . . . . . . . . 4668 1 1244 . 1 1 105 105 GLU HG2 H 1 2.263 0.007 . 1 . . . . . . . . 4668 1 1245 . 1 1 105 105 GLU HG3 H 1 2.263 0.007 . 1 . . . . . . . . 4668 1 1246 . 1 1 106 106 GLU C C 13 177.406 0.007 . 1 . . . . . . . . 4668 1 1247 . 1 1 106 106 GLU CA C 13 58.514 0.058 . 1 . . . . . . . . 4668 1 1248 . 1 1 106 106 GLU CB C 13 29.211 0.119 . 1 . . . . . . . . 4668 1 1249 . 1 1 106 106 GLU CG C 13 36.967 0.054 . 1 . . . . . . . . 4668 1 1250 . 1 1 106 106 GLU H H 1 8.976 0.001 . 1 . . . . . . . . 4668 1 1251 . 1 1 106 106 GLU HA H 1 3.661 0.004 . 1 . . . . . . . . 4668 1 1252 . 1 1 106 106 GLU HG2 H 1 2.107 0.004 . 2 . . . . . . . . 4668 1 1253 . 1 1 106 106 GLU HG3 H 1 2.261 0.007 . 2 . . . . . . . . 4668 1 1254 . 1 1 106 106 GLU N N 15 122.202 0.017 . 1 . . . . . . . . 4668 1 1255 . 1 1 106 106 GLU HB2 H 1 1.925 0.003 . 1 . . . . . . . . 4668 1 1256 . 1 1 106 106 GLU HB3 H 1 1.925 0.003 . 1 . . . . . . . . 4668 1 1257 . 1 1 107 107 GLY C C 13 174.303 0.024 . 1 . . . . . . . . 4668 1 1258 . 1 1 107 107 GLY CA C 13 44.779 0.041 . 1 . . . . . . . . 4668 1 1259 . 1 1 107 107 GLY H H 1 9.365 0.003 . 1 . . . . . . . . 4668 1 1260 . 1 1 107 107 GLY HA2 H 1 3.537 0.008 . 2 . . . . . . . . 4668 1 1261 . 1 1 107 107 GLY HA3 H 1 4.391 0.011 . 2 . . . . . . . . 4668 1 1262 . 1 1 107 107 GLY N N 15 113.271 0.047 . 1 . . . . . . . . 4668 1 1263 . 1 1 108 108 MET C C 13 174.248 0.001 . 1 . . . . . . . . 4668 1 1264 . 1 1 108 108 MET CA C 13 56.780 0.064 . 1 . . . . . . . . 4668 1 1265 . 1 1 108 108 MET CB C 13 35.325 0.070 . 1 . . . . . . . . 4668 1 1266 . 1 1 108 108 MET CG C 13 32.539 0.056 . 1 . . . . . . . . 4668 1 1267 . 1 1 108 108 MET H H 1 7.596 0.003 . 1 . . . . . . . . 4668 1 1268 . 1 1 108 108 MET HA H 1 4.236 0.003 . 1 . . . . . . . . 4668 1 1269 . 1 1 108 108 MET HB2 H 1 2.038 0.002 . 2 . . . . . . . . 4668 1 1270 . 1 1 108 108 MET HB3 H 1 2.095 0.003 . 2 . . . . . . . . 4668 1 1271 . 1 1 108 108 MET HG2 H 1 2.415 0.011 . 2 . . . . . . . . 4668 1 1272 . 1 1 108 108 MET HG3 H 1 2.600 0.006 . 2 . . . . . . . . 4668 1 1273 . 1 1 108 108 MET N N 15 120.449 0.045 . 1 . . . . . . . . 4668 1 1274 . 1 1 109 109 VAL C C 13 176.697 0.003 . 1 . . . . . . . . 4668 1 1275 . 1 1 109 109 VAL CA C 13 61.648 0.035 . 1 . . . . . . . . 4668 1 1276 . 1 1 109 109 VAL CB C 13 32.660 0.094 . 1 . . . . . . . . 4668 1 1277 . 1 1 109 109 VAL CG1 C 13 20.881 0.000 . 2 . . . . . . . . 4668 1 1278 . 1 1 109 109 VAL CG2 C 13 21.215 0.035 . 2 . . . . . . . . 4668 1 1279 . 1 1 109 109 VAL H H 1 8.254 0.003 . 1 . . . . . . . . 4668 1 1280 . 1 1 109 109 VAL HA H 1 4.876 0.006 . 1 . . . . . . . . 4668 1 1281 . 1 1 109 109 VAL HB H 1 1.847 0.004 . 1 . . . . . . . . 4668 1 1282 . 1 1 109 109 VAL HG11 H 1 0.793 0.004 . 2 . . . . . . . . 4668 1 1283 . 1 1 109 109 VAL HG12 H 1 0.793 0.004 . 2 . . . . . . . . 4668 1 1284 . 1 1 109 109 VAL HG13 H 1 0.793 0.004 . 2 . . . . . . . . 4668 1 1285 . 1 1 109 109 VAL HG21 H 1 0.940 0.000 . 2 . . . . . . . . 4668 1 1286 . 1 1 109 109 VAL HG22 H 1 0.940 0.000 . 2 . . . . . . . . 4668 1 1287 . 1 1 109 109 VAL HG23 H 1 0.940 0.000 . 2 . . . . . . . . 4668 1 1288 . 1 1 109 109 VAL N N 15 123.751 0.020 . 1 . . . . . . . . 4668 1 1289 . 1 1 110 110 ILE C C 13 173.851 0.013 . 1 . . . . . . . . 4668 1 1290 . 1 1 110 110 ILE CA C 13 58.256 0.126 . 1 . . . . . . . . 4668 1 1291 . 1 1 110 110 ILE CB C 13 41.924 0.056 . 1 . . . . . . . . 4668 1 1292 . 1 1 110 110 ILE CD1 C 13 14.638 0.049 . 1 . . . . . . . . 4668 1 1293 . 1 1 110 110 ILE CG1 C 13 25.760 0.102 . 1 . . . . . . . . 4668 1 1294 . 1 1 110 110 ILE CG2 C 13 19.071 0.045 . 1 . . . . . . . . 4668 1 1295 . 1 1 110 110 ILE H H 1 9.041 0.003 . 1 . . . . . . . . 4668 1 1296 . 1 1 110 110 ILE HA H 1 4.681 0.006 . 1 . . . . . . . . 4668 1 1297 . 1 1 110 110 ILE HB H 1 1.916 0.004 . 1 . . . . . . . . 4668 1 1298 . 1 1 110 110 ILE HD11 H 1 0.938 0.001 . 1 . . . . . . . . 4668 1 1299 . 1 1 110 110 ILE HD12 H 1 0.938 0.001 . 1 . . . . . . . . 4668 1 1300 . 1 1 110 110 ILE HD13 H 1 0.938 0.001 . 1 . . . . . . . . 4668 1 1301 . 1 1 110 110 ILE HG12 H 1 0.941 0.001 . 2 . . . . . . . . 4668 1 1302 . 1 1 110 110 ILE HG13 H 1 1.271 0.010 . 2 . . . . . . . . 4668 1 1303 . 1 1 110 110 ILE HG21 H 1 0.743 0.002 . 1 . . . . . . . . 4668 1 1304 . 1 1 110 110 ILE HG22 H 1 0.743 0.002 . 1 . . . . . . . . 4668 1 1305 . 1 1 110 110 ILE HG23 H 1 0.743 0.002 . 1 . . . . . . . . 4668 1 1306 . 1 1 110 110 ILE N N 15 122.352 0.052 . 1 . . . . . . . . 4668 1 1307 . 1 1 111 111 LEU C C 13 176.328 0.008 . 1 . . . . . . . . 4668 1 1308 . 1 1 111 111 LEU CA C 13 53.791 0.063 . 1 . . . . . . . . 4668 1 1309 . 1 1 111 111 LEU CB C 13 43.235 0.080 . 1 . . . . . . . . 4668 1 1310 . 1 1 111 111 LEU CD1 C 13 23.483 0.052 . 2 . . . . . . . . 4668 1 1311 . 1 1 111 111 LEU CD2 C 13 24.861 0.140 . 2 . . . . . . . . 4668 1 1312 . 1 1 111 111 LEU CG C 13 27.117 0.082 . 1 . . . . . . . . 4668 1 1313 . 1 1 111 111 LEU H H 1 8.248 0.009 . 1 . . . . . . . . 4668 1 1314 . 1 1 111 111 LEU HA H 1 4.732 0.006 . 1 . . . . . . . . 4668 1 1315 . 1 1 111 111 LEU HB2 H 1 1.144 0.006 . 2 . . . . . . . . 4668 1 1316 . 1 1 111 111 LEU HB3 H 1 1.699 0.007 . 2 . . . . . . . . 4668 1 1317 . 1 1 111 111 LEU HD11 H 1 0.686 0.007 . 2 . . . . . . . . 4668 1 1318 . 1 1 111 111 LEU HD12 H 1 0.686 0.007 . 2 . . . . . . . . 4668 1 1319 . 1 1 111 111 LEU HD13 H 1 0.686 0.007 . 2 . . . . . . . . 4668 1 1320 . 1 1 111 111 LEU HD21 H 1 0.819 0.011 . 2 . . . . . . . . 4668 1 1321 . 1 1 111 111 LEU HD22 H 1 0.819 0.011 . 2 . . . . . . . . 4668 1 1322 . 1 1 111 111 LEU HD23 H 1 0.819 0.011 . 2 . . . . . . . . 4668 1 1323 . 1 1 111 111 LEU HG H 1 1.498 0.013 . 1 . . . . . . . . 4668 1 1324 . 1 1 111 111 LEU N N 15 120.394 0.066 . 1 . . . . . . . . 4668 1 1325 . 1 1 112 112 ALA C C 13 176.196 0.001 . 1 . . . . . . . . 4668 1 1326 . 1 1 112 112 ALA CA C 13 51.101 0.049 . 1 . . . . . . . . 4668 1 1327 . 1 1 112 112 ALA CB C 13 19.731 0.073 . 1 . . . . . . . . 4668 1 1328 . 1 1 112 112 ALA H H 1 9.146 0.004 . 1 . . . . . . . . 4668 1 1329 . 1 1 112 112 ALA HA H 1 4.750 0.004 . 1 . . . . . . . . 4668 1 1330 . 1 1 112 112 ALA HB1 H 1 1.442 0.005 . 1 . . . . . . . . 4668 1 1331 . 1 1 112 112 ALA HB2 H 1 1.442 0.005 . 1 . . . . . . . . 4668 1 1332 . 1 1 112 112 ALA HB3 H 1 1.442 0.005 . 1 . . . . . . . . 4668 1 1333 . 1 1 112 112 ALA N N 15 129.084 0.078 . 1 . . . . . . . . 4668 1 1334 . 1 1 113 113 GLU C C 13 176.836 0.007 . 1 . . . . . . . . 4668 1 1335 . 1 1 113 113 GLU CA C 13 56.899 0.043 . 1 . . . . . . . . 4668 1 1336 . 1 1 113 113 GLU CB C 13 27.529 0.074 . 1 . . . . . . . . 4668 1 1337 . 1 1 113 113 GLU CG C 13 36.382 0.051 . 1 . . . . . . . . 4668 1 1338 . 1 1 113 113 GLU H H 1 9.214 0.003 . 1 . . . . . . . . 4668 1 1339 . 1 1 113 113 GLU HA H 1 3.891 0.005 . 1 . . . . . . . . 4668 1 1340 . 1 1 113 113 GLU HB2 H 1 2.139 0.016 . 2 . . . . . . . . 4668 1 1341 . 1 1 113 113 GLU HB3 H 1 2.243 0.004 . 2 . . . . . . . . 4668 1 1342 . 1 1 113 113 GLU HG2 H 1 2.315 0.002 . 2 . . . . . . . . 4668 1 1343 . 1 1 113 113 GLU HG3 H 1 2.231 0.000 . 2 . . . . . . . . 4668 1 1344 . 1 1 113 113 GLU N N 15 122.981 0.038 . 1 . . . . . . . . 4668 1 1345 . 1 1 114 114 GLY C C 13 173.535 0.015 . 1 . . . . . . . . 4668 1 1346 . 1 1 114 114 GLY CA C 13 45.374 0.075 . 1 . . . . . . . . 4668 1 1347 . 1 1 114 114 GLY H H 1 8.285 0.007 . 1 . . . . . . . . 4668 1 1348 . 1 1 114 114 GLY HA2 H 1 3.551 0.006 . 2 . . . . . . . . 4668 1 1349 . 1 1 114 114 GLY HA3 H 1 4.274 0.003 . 2 . . . . . . . . 4668 1 1350 . 1 1 114 114 GLY N N 15 101.914 0.038 . 1 . . . . . . . . 4668 1 1351 . 1 1 115 115 ILE C C 13 173.734 0.000 . 1 . . . . . . . . 4668 1 1352 . 1 1 115 115 ILE CA C 13 57.931 0.029 . 1 . . . . . . . . 4668 1 1353 . 1 1 115 115 ILE CB C 13 40.188 0.055 . 1 . . . . . . . . 4668 1 1354 . 1 1 115 115 ILE CD1 C 13 12.506 0.038 . 1 . . . . . . . . 4668 1 1355 . 1 1 115 115 ILE CG1 C 13 26.373 0.086 . 1 . . . . . . . . 4668 1 1356 . 1 1 115 115 ILE CG2 C 13 18.042 0.062 . 1 . . . . . . . . 4668 1 1357 . 1 1 115 115 ILE H H 1 7.851 0.001 . 1 . . . . . . . . 4668 1 1358 . 1 1 115 115 ILE HA H 1 4.840 0.006 . 1 . . . . . . . . 4668 1 1359 . 1 1 115 115 ILE HB H 1 2.267 0.005 . 1 . . . . . . . . 4668 1 1360 . 1 1 115 115 ILE HD11 H 1 0.902 0.002 . 1 . . . . . . . . 4668 1 1361 . 1 1 115 115 ILE HD12 H 1 0.902 0.002 . 1 . . . . . . . . 4668 1 1362 . 1 1 115 115 ILE HD13 H 1 0.902 0.002 . 1 . . . . . . . . 4668 1 1363 . 1 1 115 115 ILE HG12 H 1 1.666 0.006 . 2 . . . . . . . . 4668 1 1364 . 1 1 115 115 ILE HG13 H 1 1.297 0.000 . 2 . . . . . . . . 4668 1 1365 . 1 1 115 115 ILE HG21 H 1 1.232 0.000 . 1 . . . . . . . . 4668 1 1366 . 1 1 115 115 ILE HG22 H 1 1.232 0.000 . 1 . . . . . . . . 4668 1 1367 . 1 1 115 115 ILE HG23 H 1 1.232 0.000 . 1 . . . . . . . . 4668 1 1368 . 1 1 115 115 ILE N N 15 121.790 0.045 . 1 . . . . . . . . 4668 1 1369 . 1 1 116 116 PRO C C 13 175.861 0.000 . 1 . . . . . . . . 4668 1 1370 . 1 1 116 116 PRO CA C 13 62.993 0.050 . 1 . . . . . . . . 4668 1 1371 . 1 1 116 116 PRO CB C 13 32.067 0.076 . 1 . . . . . . . . 4668 1 1372 . 1 1 116 116 PRO CD C 13 51.074 0.032 . 1 . . . . . . . . 4668 1 1373 . 1 1 116 116 PRO CG C 13 27.702 0.101 . 1 . . . . . . . . 4668 1 1374 . 1 1 116 116 PRO HA H 1 5.006 0.003 . 1 . . . . . . . . 4668 1 1375 . 1 1 116 116 PRO HB2 H 1 1.825 0.000 . 2 . . . . . . . . 4668 1 1376 . 1 1 116 116 PRO HB3 H 1 2.025 0.000 . 2 . . . . . . . . 4668 1 1377 . 1 1 116 116 PRO HD2 H 1 3.838 0.000 . 2 . . . . . . . . 4668 1 1378 . 1 1 116 116 PRO HD3 H 1 3.826 0.000 . 2 . . . . . . . . 4668 1 1379 . 1 1 116 116 PRO HG2 H 1 1.919 0.000 . 2 . . . . . . . . 4668 1 1380 . 1 1 116 116 PRO HG3 H 1 2.150 0.000 . 2 . . . . . . . . 4668 1 1381 . 1 1 117 117 ALA C C 13 175.674 0.003 . 1 . . . . . . . . 4668 1 1382 . 1 1 117 117 ALA CA C 13 50.612 0.041 . 1 . . . . . . . . 4668 1 1383 . 1 1 117 117 ALA CB C 13 22.361 0.084 . 1 . . . . . . . . 4668 1 1384 . 1 1 117 117 ALA H H 1 9.055 0.004 . 1 . . . . . . . . 4668 1 1385 . 1 1 117 117 ALA HA H 1 4.465 0.004 . 1 . . . . . . . . 4668 1 1386 . 1 1 117 117 ALA HB1 H 1 0.350 0.006 . 1 . . . . . . . . 4668 1 1387 . 1 1 117 117 ALA HB2 H 1 0.350 0.006 . 1 . . . . . . . . 4668 1 1388 . 1 1 117 117 ALA HB3 H 1 0.350 0.006 . 1 . . . . . . . . 4668 1 1389 . 1 1 117 117 ALA N N 15 124.439 0.044 . 1 . . . . . . . . 4668 1 1390 . 1 1 118 118 THR C C 13 174.889 0.007 . 1 . . . . . . . . 4668 1 1391 . 1 1 118 118 THR CA C 13 61.675 0.026 . 1 . . . . . . . . 4668 1 1392 . 1 1 118 118 THR CB C 13 70.321 0.074 . 1 . . . . . . . . 4668 1 1393 . 1 1 118 118 THR CG2 C 13 21.287 0.000 . 1 . . . . . . . . 4668 1 1394 . 1 1 118 118 THR H H 1 8.097 0.004 . 1 . . . . . . . . 4668 1 1395 . 1 1 118 118 THR HA H 1 4.876 0.012 . 1 . . . . . . . . 4668 1 1396 . 1 1 118 118 THR HB H 1 3.870 0.004 . 1 . . . . . . . . 4668 1 1397 . 1 1 118 118 THR HG21 H 1 0.997 0.005 . 1 . . . . . . . . 4668 1 1398 . 1 1 118 118 THR HG22 H 1 0.997 0.005 . 1 . . . . . . . . 4668 1 1399 . 1 1 118 118 THR HG23 H 1 0.997 0.005 . 1 . . . . . . . . 4668 1 1400 . 1 1 118 118 THR N N 15 115.693 0.024 . 1 . . . . . . . . 4668 1 1401 . 1 1 119 119 ILE C C 13 176.695 0.009 . 1 . . . . . . . . 4668 1 1402 . 1 1 119 119 ILE CA C 13 61.792 0.064 . 1 . . . . . . . . 4668 1 1403 . 1 1 119 119 ILE CB C 13 36.720 0.082 . 1 . . . . . . . . 4668 1 1404 . 1 1 119 119 ILE CD1 C 13 14.058 0.028 . 1 . . . . . . . . 4668 1 1405 . 1 1 119 119 ILE CG1 C 13 27.224 0.126 . 1 . . . . . . . . 4668 1 1406 . 1 1 119 119 ILE CG2 C 13 18.947 0.062 . 1 . . . . . . . . 4668 1 1407 . 1 1 119 119 ILE H H 1 9.087 0.002 . 1 . . . . . . . . 4668 1 1408 . 1 1 119 119 ILE HA H 1 4.600 0.005 . 1 . . . . . . . . 4668 1 1409 . 1 1 119 119 ILE HB H 1 2.120 0.007 . 1 . . . . . . . . 4668 1 1410 . 1 1 119 119 ILE HD11 H 1 0.826 0.001 . 1 . . . . . . . . 4668 1 1411 . 1 1 119 119 ILE HD12 H 1 0.826 0.001 . 1 . . . . . . . . 4668 1 1412 . 1 1 119 119 ILE HD13 H 1 0.826 0.001 . 1 . . . . . . . . 4668 1 1413 . 1 1 119 119 ILE HG12 H 1 1.698 0.007 . 2 . . . . . . . . 4668 1 1414 . 1 1 119 119 ILE HG13 H 1 0.818 0.004 . 2 . . . . . . . . 4668 1 1415 . 1 1 119 119 ILE HG21 H 1 0.628 0.007 . 1 . . . . . . . . 4668 1 1416 . 1 1 119 119 ILE HG22 H 1 0.628 0.007 . 1 . . . . . . . . 4668 1 1417 . 1 1 119 119 ILE HG23 H 1 0.628 0.007 . 1 . . . . . . . . 4668 1 1418 . 1 1 119 119 ILE N N 15 127.066 0.052 . 1 . . . . . . . . 4668 1 1419 . 1 1 120 120 THR C C 13 175.293 0.014 . 1 . . . . . . . . 4668 1 1420 . 1 1 120 120 THR CA C 13 61.962 0.040 . 1 . . . . . . . . 4668 1 1421 . 1 1 120 120 THR CB C 13 68.886 0.074 . 1 . . . . . . . . 4668 1 1422 . 1 1 120 120 THR CG2 C 13 23.392 0.045 . 1 . . . . . . . . 4668 1 1423 . 1 1 120 120 THR H H 1 8.798 0.005 . 1 . . . . . . . . 4668 1 1424 . 1 1 120 120 THR HA H 1 4.631 0.009 . 1 . . . . . . . . 4668 1 1425 . 1 1 120 120 THR HB H 1 4.301 0.006 . 1 . . . . . . . . 4668 1 1426 . 1 1 120 120 THR HG21 H 1 1.190 0.004 . 1 . . . . . . . . 4668 1 1427 . 1 1 120 120 THR HG22 H 1 1.190 0.004 . 1 . . . . . . . . 4668 1 1428 . 1 1 120 120 THR HG23 H 1 1.190 0.004 . 1 . . . . . . . . 4668 1 1429 . 1 1 120 120 THR N N 15 120.573 0.039 . 1 . . . . . . . . 4668 1 1430 . 1 1 121 121 GLU C C 13 173.771 0.012 . 1 . . . . . . . . 4668 1 1431 . 1 1 121 121 GLU CA C 13 56.868 0.052 . 1 . . . . . . . . 4668 1 1432 . 1 1 121 121 GLU CB C 13 32.998 0.078 . 1 . . . . . . . . 4668 1 1433 . 1 1 121 121 GLU CG C 13 37.016 0.082 . 1 . . . . . . . . 4668 1 1434 . 1 1 121 121 GLU H H 1 7.374 0.002 . 1 . . . . . . . . 4668 1 1435 . 1 1 121 121 GLU HA H 1 4.588 0.007 . 1 . . . . . . . . 4668 1 1436 . 1 1 121 121 GLU HB2 H 1 1.911 0.007 . 2 . . . . . . . . 4668 1 1437 . 1 1 121 121 GLU HB3 H 1 2.147 0.000 . 2 . . . . . . . . 4668 1 1438 . 1 1 121 121 GLU HG2 H 1 2.307 0.008 . 2 . . . . . . . . 4668 1 1439 . 1 1 121 121 GLU HG3 H 1 2.159 0.000 . 2 . . . . . . . . 4668 1 1440 . 1 1 121 121 GLU N N 15 120.695 0.051 . 1 . . . . . . . . 4668 1 1441 . 1 1 122 122 VAL C C 13 175.163 0.008 . 1 . . . . . . . . 4668 1 1442 . 1 1 122 122 VAL CA C 13 62.602 0.029 . 1 . . . . . . . . 4668 1 1443 . 1 1 122 122 VAL CB C 13 34.515 0.087 . 1 . . . . . . . . 4668 1 1444 . 1 1 122 122 VAL CG1 C 13 22.346 0.020 . 2 . . . . . . . . 4668 1 1445 . 1 1 122 122 VAL CG2 C 13 21.797 0.000 . 2 . . . . . . . . 4668 1 1446 . 1 1 122 122 VAL H H 1 9.128 0.003 . 1 . . . . . . . . 4668 1 1447 . 1 1 122 122 VAL HA H 1 4.537 0.004 . 1 . . . . . . . . 4668 1 1448 . 1 1 122 122 VAL HB H 1 2.010 0.004 . 1 . . . . . . . . 4668 1 1449 . 1 1 122 122 VAL HG11 H 1 0.735 0.009 . 2 . . . . . . . . 4668 1 1450 . 1 1 122 122 VAL HG12 H 1 0.735 0.009 . 2 . . . . . . . . 4668 1 1451 . 1 1 122 122 VAL HG13 H 1 0.735 0.009 . 2 . . . . . . . . 4668 1 1452 . 1 1 122 122 VAL HG21 H 1 0.870 0.010 . 2 . . . . . . . . 4668 1 1453 . 1 1 122 122 VAL HG22 H 1 0.870 0.010 . 2 . . . . . . . . 4668 1 1454 . 1 1 122 122 VAL HG23 H 1 0.870 0.010 . 2 . . . . . . . . 4668 1 1455 . 1 1 122 122 VAL N N 15 126.160 0.018 . 1 . . . . . . . . 4668 1 1456 . 1 1 123 123 THR C C 13 174.436 0.017 . 1 . . . . . . . . 4668 1 1457 . 1 1 123 123 THR CA C 13 59.263 0.055 . 1 . . . . . . . . 4668 1 1458 . 1 1 123 123 THR CB C 13 71.745 0.036 . 1 . . . . . . . . 4668 1 1459 . 1 1 123 123 THR CG2 C 13 21.710 0.028 . 1 . . . . . . . . 4668 1 1460 . 1 1 123 123 THR H H 1 8.852 0.003 . 1 . . . . . . . . 4668 1 1461 . 1 1 123 123 THR HA H 1 4.967 0.004 . 1 . . . . . . . . 4668 1 1462 . 1 1 123 123 THR HB H 1 4.807 0.007 . 1 . . . . . . . . 4668 1 1463 . 1 1 123 123 THR HG21 H 1 1.264 0.006 . 1 . . . . . . . . 4668 1 1464 . 1 1 123 123 THR HG22 H 1 1.264 0.006 . 1 . . . . . . . . 4668 1 1465 . 1 1 123 123 THR HG23 H 1 1.264 0.006 . 1 . . . . . . . . 4668 1 1466 . 1 1 123 123 THR N N 15 118.910 0.026 . 1 . . . . . . . . 4668 1 1467 . 1 1 124 124 ASP C C 13 176.602 0.003 . 1 . . . . . . . . 4668 1 1468 . 1 1 124 124 ASP CA C 13 57.190 0.037 . 1 . . . . . . . . 4668 1 1469 . 1 1 124 124 ASP CB C 13 40.462 0.057 . 1 . . . . . . . . 4668 1 1470 . 1 1 124 124 ASP H H 1 8.663 0.004 . 1 . . . . . . . . 4668 1 1471 . 1 1 124 124 ASP HA H 1 4.352 0.005 . 1 . . . . . . . . 4668 1 1472 . 1 1 124 124 ASP HB2 H 1 2.727 0.005 . 2 . . . . . . . . 4668 1 1473 . 1 1 124 124 ASP HB3 H 1 2.617 0.005 . 2 . . . . . . . . 4668 1 1474 . 1 1 124 124 ASP N N 15 116.921 0.041 . 1 . . . . . . . . 4668 1 1475 . 1 1 125 125 ASN C C 13 176.367 0.000 . 1 . . . . . . . . 4668 1 1476 . 1 1 125 125 ASN CA C 13 53.747 0.039 . 1 . . . . . . . . 4668 1 1477 . 1 1 125 125 ASN CB C 13 41.375 0.047 . 1 . . . . . . . . 4668 1 1478 . 1 1 125 125 ASN CG C 13 176.495 0.025 . 1 . . . . . . . . 4668 1 1479 . 1 1 125 125 ASN H H 1 8.223 0.002 . 1 . . . . . . . . 4668 1 1480 . 1 1 125 125 ASN HA H 1 5.078 0.007 . 1 . . . . . . . . 4668 1 1481 . 1 1 125 125 ASN HB2 H 1 2.749 0.008 . 2 . . . . . . . . 4668 1 1482 . 1 1 125 125 ASN HB3 H 1 2.874 0.007 . 2 . . . . . . . . 4668 1 1483 . 1 1 125 125 ASN HD21 H 1 7.664 0.004 . 1 . . . . . . . . 4668 1 1484 . 1 1 125 125 ASN HD22 H 1 7.011 0.005 . 1 . . . . . . . . 4668 1 1485 . 1 1 125 125 ASN N N 15 111.477 0.037 . 1 . . . . . . . . 4668 1 1486 . 1 1 125 125 ASN ND2 N 15 113.320 0.007 . 1 . . . . . . . . 4668 1 1487 . 1 1 126 126 GLU C C 13 173.542 0.010 . 1 . . . . . . . . 4668 1 1488 . 1 1 126 126 GLU CA C 13 56.046 0.059 . 1 . . . . . . . . 4668 1 1489 . 1 1 126 126 GLU CB C 13 35.340 0.075 . 1 . . . . . . . . 4668 1 1490 . 1 1 126 126 GLU CG C 13 36.871 0.033 . 1 . . . . . . . . 4668 1 1491 . 1 1 126 126 GLU H H 1 8.236 0.003 . 1 . . . . . . . . 4668 1 1492 . 1 1 126 126 GLU HA H 1 5.148 0.007 . 1 . . . . . . . . 4668 1 1493 . 1 1 126 126 GLU N N 15 122.118 0.032 . 1 . . . . . . . . 4668 1 1494 . 1 1 126 126 GLU HB2 H 1 1.896 0.005 . 1 . . . . . . . . 4668 1 1495 . 1 1 126 126 GLU HB3 H 1 1.896 0.005 . 1 . . . . . . . . 4668 1 1496 . 1 1 126 126 GLU HG2 H 1 2.079 0.006 . 1 . . . . . . . . 4668 1 1497 . 1 1 126 126 GLU HG3 H 1 2.079 0.006 . 1 . . . . . . . . 4668 1 1498 . 1 1 127 127 VAL C C 13 174.331 0.006 . 1 . . . . . . . . 4668 1 1499 . 1 1 127 127 VAL CA C 13 60.920 0.034 . 1 . . . . . . . . 4668 1 1500 . 1 1 127 127 VAL CB C 13 35.099 0.074 . 1 . . . . . . . . 4668 1 1501 . 1 1 127 127 VAL CG1 C 13 22.273 0.071 . 2 . . . . . . . . 4668 1 1502 . 1 1 127 127 VAL CG2 C 13 22.339 0.108 . 2 . . . . . . . . 4668 1 1503 . 1 1 127 127 VAL H H 1 9.478 0.003 . 1 . . . . . . . . 4668 1 1504 . 1 1 127 127 VAL HA H 1 4.711 0.007 . 1 . . . . . . . . 4668 1 1505 . 1 1 127 127 VAL HB H 1 2.028 0.003 . 1 . . . . . . . . 4668 1 1506 . 1 1 127 127 VAL HG11 H 1 0.875 0.000 . 2 . . . . . . . . 4668 1 1507 . 1 1 127 127 VAL HG12 H 1 0.875 0.000 . 2 . . . . . . . . 4668 1 1508 . 1 1 127 127 VAL HG13 H 1 0.875 0.000 . 2 . . . . . . . . 4668 1 1509 . 1 1 127 127 VAL HG21 H 1 0.913 0.000 . 2 . . . . . . . . 4668 1 1510 . 1 1 127 127 VAL HG22 H 1 0.913 0.000 . 2 . . . . . . . . 4668 1 1511 . 1 1 127 127 VAL HG23 H 1 0.913 0.000 . 2 . . . . . . . . 4668 1 1512 . 1 1 127 127 VAL N N 15 123.234 0.041 . 1 . . . . . . . . 4668 1 1513 . 1 1 128 128 THR C C 13 172.827 0.006 . 1 . . . . . . . . 4668 1 1514 . 1 1 128 128 THR CA C 13 62.859 0.058 . 1 . . . . . . . . 4668 1 1515 . 1 1 128 128 THR CB C 13 69.153 0.119 . 1 . . . . . . . . 4668 1 1516 . 1 1 128 128 THR CG2 C 13 22.653 0.048 . 1 . . . . . . . . 4668 1 1517 . 1 1 128 128 THR H H 1 9.046 0.002 . 1 . . . . . . . . 4668 1 1518 . 1 1 128 128 THR HA H 1 4.938 0.007 . 1 . . . . . . . . 4668 1 1519 . 1 1 128 128 THR HB H 1 4.093 0.005 . 1 . . . . . . . . 4668 1 1520 . 1 1 128 128 THR HG21 H 1 1.058 0.006 . 1 . . . . . . . . 4668 1 1521 . 1 1 128 128 THR HG22 H 1 1.058 0.006 . 1 . . . . . . . . 4668 1 1522 . 1 1 128 128 THR HG23 H 1 1.058 0.006 . 1 . . . . . . . . 4668 1 1523 . 1 1 128 128 THR N N 15 123.739 0.041 . 1 . . . . . . . . 4668 1 1524 . 1 1 129 129 LEU C C 13 174.381 0.024 . 1 . . . . . . . . 4668 1 1525 . 1 1 129 129 LEU CA C 13 53.186 0.049 . 1 . . . . . . . . 4668 1 1526 . 1 1 129 129 LEU CB C 13 45.077 0.078 . 1 . . . . . . . . 4668 1 1527 . 1 1 129 129 LEU CD1 C 13 25.430 0.049 . 2 . . . . . . . . 4668 1 1528 . 1 1 129 129 LEU CD2 C 13 26.222 0.076 . 2 . . . . . . . . 4668 1 1529 . 1 1 129 129 LEU CG C 13 27.434 0.111 . 1 . . . . . . . . 4668 1 1530 . 1 1 129 129 LEU H H 1 9.372 0.003 . 1 . . . . . . . . 4668 1 1531 . 1 1 129 129 LEU HA H 1 4.855 0.002 . 1 . . . . . . . . 4668 1 1532 . 1 1 129 129 LEU HB2 H 1 0.859 0.001 . 2 . . . . . . . . 4668 1 1533 . 1 1 129 129 LEU HB3 H 1 1.784 0.008 . 2 . . . . . . . . 4668 1 1534 . 1 1 129 129 LEU HD11 H 1 0.720 0.003 . 2 . . . . . . . . 4668 1 1535 . 1 1 129 129 LEU HD12 H 1 0.720 0.003 . 2 . . . . . . . . 4668 1 1536 . 1 1 129 129 LEU HD13 H 1 0.720 0.003 . 2 . . . . . . . . 4668 1 1537 . 1 1 129 129 LEU HD21 H 1 0.872 0.000 . 2 . . . . . . . . 4668 1 1538 . 1 1 129 129 LEU HD22 H 1 0.872 0.000 . 2 . . . . . . . . 4668 1 1539 . 1 1 129 129 LEU HD23 H 1 0.872 0.000 . 2 . . . . . . . . 4668 1 1540 . 1 1 129 129 LEU HG H 1 1.618 0.008 . 1 . . . . . . . . 4668 1 1541 . 1 1 129 129 LEU N N 15 127.320 0.046 . 1 . . . . . . . . 4668 1 1542 . 1 1 130 130 ASP C C 13 177.728 0.017 . 1 . . . . . . . . 4668 1 1543 . 1 1 130 130 ASP CA C 13 52.693 0.041 . 1 . . . . . . . . 4668 1 1544 . 1 1 130 130 ASP CB C 13 43.628 0.053 . 1 . . . . . . . . 4668 1 1545 . 1 1 130 130 ASP H H 1 9.122 0.002 . 1 . . . . . . . . 4668 1 1546 . 1 1 130 130 ASP HA H 1 5.283 0.005 . 1 . . . . . . . . 4668 1 1547 . 1 1 130 130 ASP HB2 H 1 2.443 0.010 . 2 . . . . . . . . 4668 1 1548 . 1 1 130 130 ASP HB3 H 1 3.014 0.003 . 2 . . . . . . . . 4668 1 1549 . 1 1 130 130 ASP N N 15 120.249 0.049 . 1 . . . . . . . . 4668 1 1550 . 1 1 131 131 PHE C C 13 177.063 0.025 . 1 . . . . . . . . 4668 1 1551 . 1 1 131 131 PHE CA C 13 58.887 0.041 . 1 . . . . . . . . 4668 1 1552 . 1 1 131 131 PHE CB C 13 39.174 0.064 . 1 . . . . . . . . 4668 1 1553 . 1 1 131 131 PHE H H 1 9.095 0.003 . 1 . . . . . . . . 4668 1 1554 . 1 1 131 131 PHE HA H 1 4.698 0.010 . 1 . . . . . . . . 4668 1 1555 . 1 1 131 131 PHE HB2 H 1 3.226 0.006 . 2 . . . . . . . . 4668 1 1556 . 1 1 131 131 PHE HB3 H 1 3.510 0.004 . 2 . . . . . . . . 4668 1 1557 . 1 1 131 131 PHE N N 15 124.087 0.047 . 1 . . . . . . . . 4668 1 1558 . 1 1 132 132 ASN C C 13 175.405 0.044 . 1 . . . . . . . . 4668 1 1559 . 1 1 132 132 ASN CA C 13 55.440 0.032 . 1 . . . . . . . . 4668 1 1560 . 1 1 132 132 ASN CB C 13 39.837 0.075 . 1 . . . . . . . . 4668 1 1561 . 1 1 132 132 ASN CG C 13 178.169 0.014 . 1 . . . . . . . . 4668 1 1562 . 1 1 132 132 ASN H H 1 9.122 0.001 . 1 . . . . . . . . 4668 1 1563 . 1 1 132 132 ASN HA H 1 4.418 0.011 . 1 . . . . . . . . 4668 1 1564 . 1 1 132 132 ASN HB2 H 1 3.177 0.006 . 2 . . . . . . . . 4668 1 1565 . 1 1 132 132 ASN HB3 H 1 2.384 0.005 . 2 . . . . . . . . 4668 1 1566 . 1 1 132 132 ASN HD21 H 1 9.618 0.004 . 1 . . . . . . . . 4668 1 1567 . 1 1 132 132 ASN HD22 H 1 7.135 0.009 . 1 . . . . . . . . 4668 1 1568 . 1 1 132 132 ASN N N 15 120.398 0.029 . 1 . . . . . . . . 4668 1 1569 . 1 1 132 132 ASN ND2 N 15 118.692 0.028 . 1 . . . . . . . . 4668 1 1570 . 1 1 133 133 HIS C C 13 177.547 0.033 . 1 . . . . . . . . 4668 1 1571 . 1 1 133 133 HIS CA C 13 59.003 0.068 . 1 . . . . . . . . 4668 1 1572 . 1 1 133 133 HIS CB C 13 31.350 0.071 . 1 . . . . . . . . 4668 1 1573 . 1 1 133 133 HIS H H 1 9.044 0.003 . 1 . . . . . . . . 4668 1 1574 . 1 1 133 133 HIS HA H 1 4.132 0.005 . 1 . . . . . . . . 4668 1 1575 . 1 1 133 133 HIS HB2 H 1 3.351 0.011 . 2 . . . . . . . . 4668 1 1576 . 1 1 133 133 HIS HB3 H 1 2.764 0.005 . 2 . . . . . . . . 4668 1 1577 . 1 1 133 133 HIS N N 15 123.610 0.047 . 1 . . . . . . . . 4668 1 1578 . 1 1 134 134 GLU C C 13 177.615 0.063 . 1 . . . . . . . . 4668 1 1579 . 1 1 134 134 GLU CA C 13 59.474 0.043 . 1 . . . . . . . . 4668 1 1580 . 1 1 134 134 GLU CB C 13 29.491 0.136 . 1 . . . . . . . . 4668 1 1581 . 1 1 134 134 GLU CG C 13 35.608 0.080 . 1 . . . . . . . . 4668 1 1582 . 1 1 134 134 GLU H H 1 8.643 0.002 . 1 . . . . . . . . 4668 1 1583 . 1 1 134 134 GLU HA H 1 4.026 0.006 . 1 . . . . . . . . 4668 1 1584 . 1 1 134 134 GLU HB2 H 1 1.938 0.000 . 2 . . . . . . . . 4668 1 1585 . 1 1 134 134 GLU HB3 H 1 1.793 0.008 . 2 . . . . . . . . 4668 1 1586 . 1 1 134 134 GLU HG2 H 1 2.002 0.000 . 2 . . . . . . . . 4668 1 1587 . 1 1 134 134 GLU HG3 H 1 2.098 0.001 . 2 . . . . . . . . 4668 1 1588 . 1 1 134 134 GLU N N 15 130.217 0.022 . 1 . . . . . . . . 4668 1 1589 . 1 1 135 135 LEU C C 13 178.262 0.004 . 1 . . . . . . . . 4668 1 1590 . 1 1 135 135 LEU CA C 13 53.697 0.082 . 1 . . . . . . . . 4668 1 1591 . 1 1 135 135 LEU CB C 13 41.136 0.080 . 1 . . . . . . . . 4668 1 1592 . 1 1 135 135 LEU CD1 C 13 22.365 0.036 . 2 . . . . . . . . 4668 1 1593 . 1 1 135 135 LEU CD2 C 13 25.809 0.075 . 2 . . . . . . . . 4668 1 1594 . 1 1 135 135 LEU CG C 13 26.892 0.029 . 1 . . . . . . . . 4668 1 1595 . 1 1 135 135 LEU H H 1 11.594 0.006 . 1 . . . . . . . . 4668 1 1596 . 1 1 135 135 LEU HA H 1 4.366 0.007 . 1 . . . . . . . . 4668 1 1597 . 1 1 135 135 LEU HB2 H 1 1.366 0.000 . 2 . . . . . . . . 4668 1 1598 . 1 1 135 135 LEU HB3 H 1 1.475 0.012 . 2 . . . . . . . . 4668 1 1599 . 1 1 135 135 LEU HD11 H 1 0.382 0.012 . 2 . . . . . . . . 4668 1 1600 . 1 1 135 135 LEU HD12 H 1 0.382 0.012 . 2 . . . . . . . . 4668 1 1601 . 1 1 135 135 LEU HD13 H 1 0.382 0.012 . 2 . . . . . . . . 4668 1 1602 . 1 1 135 135 LEU HD21 H 1 0.221 0.005 . 2 . . . . . . . . 4668 1 1603 . 1 1 135 135 LEU HD22 H 1 0.221 0.005 . 2 . . . . . . . . 4668 1 1604 . 1 1 135 135 LEU HD23 H 1 0.221 0.005 . 2 . . . . . . . . 4668 1 1605 . 1 1 135 135 LEU HG H 1 1.313 0.004 . 1 . . . . . . . . 4668 1 1606 . 1 1 135 135 LEU N N 15 121.353 0.044 . 1 . . . . . . . . 4668 1 1607 . 1 1 136 136 ALA C C 13 179.292 0.031 . 1 . . . . . . . . 4668 1 1608 . 1 1 136 136 ALA CA C 13 53.805 0.066 . 1 . . . . . . . . 4668 1 1609 . 1 1 136 136 ALA CB C 13 18.644 0.070 . 1 . . . . . . . . 4668 1 1610 . 1 1 136 136 ALA H H 1 8.159 0.002 . 1 . . . . . . . . 4668 1 1611 . 1 1 136 136 ALA HA H 1 4.154 0.004 . 1 . . . . . . . . 4668 1 1612 . 1 1 136 136 ALA HB1 H 1 1.384 0.010 . 1 . . . . . . . . 4668 1 1613 . 1 1 136 136 ALA HB2 H 1 1.384 0.010 . 1 . . . . . . . . 4668 1 1614 . 1 1 136 136 ALA HB3 H 1 1.384 0.010 . 1 . . . . . . . . 4668 1 1615 . 1 1 136 136 ALA N N 15 124.909 0.046 . 1 . . . . . . . . 4668 1 1616 . 1 1 137 137 GLY C C 13 173.376 0.031 . 1 . . . . . . . . 4668 1 1617 . 1 1 137 137 GLY CA C 13 45.654 0.041 . 1 . . . . . . . . 4668 1 1618 . 1 1 137 137 GLY H H 1 9.711 0.003 . 1 . . . . . . . . 4668 1 1619 . 1 1 137 137 GLY HA2 H 1 4.184 0.008 . 2 . . . . . . . . 4668 1 1620 . 1 1 137 137 GLY HA3 H 1 3.920 0.004 . 2 . . . . . . . . 4668 1 1621 . 1 1 137 137 GLY N N 15 108.985 0.036 . 1 . . . . . . . . 4668 1 1622 . 1 1 138 138 LYS C C 13 174.533 0.020 . 1 . . . . . . . . 4668 1 1623 . 1 1 138 138 LYS CA C 13 55.291 0.054 . 1 . . . . . . . . 4668 1 1624 . 1 1 138 138 LYS CB C 13 33.728 0.077 . 1 . . . . . . . . 4668 1 1625 . 1 1 138 138 LYS CD C 13 29.425 0.072 . 1 . . . . . . . . 4668 1 1626 . 1 1 138 138 LYS CG C 13 25.216 0.012 . 1 . . . . . . . . 4668 1 1627 . 1 1 138 138 LYS H H 1 7.515 0.002 . 1 . . . . . . . . 4668 1 1628 . 1 1 138 138 LYS HA H 1 4.646 0.008 . 1 . . . . . . . . 4668 1 1629 . 1 1 138 138 LYS HB2 H 1 1.848 0.011 . 2 . . . . . . . . 4668 1 1630 . 1 1 138 138 LYS HB3 H 1 1.763 0.000 . 2 . . . . . . . . 4668 1 1631 . 1 1 138 138 LYS N N 15 119.052 0.035 . 1 . . . . . . . . 4668 1 1632 . 1 1 138 138 LYS HD2 H 1 1.727 0.000 . 1 . . . . . . . . 4668 1 1633 . 1 1 138 138 LYS HD3 H 1 1.727 0.000 . 1 . . . . . . . . 4668 1 1634 . 1 1 138 138 LYS HG2 H 1 1.312 0.005 . 1 . . . . . . . . 4668 1 1635 . 1 1 138 138 LYS HG3 H 1 1.312 0.005 . 1 . . . . . . . . 4668 1 1636 . 1 1 139 139 ASP C C 13 175.508 0.026 . 1 . . . . . . . . 4668 1 1637 . 1 1 139 139 ASP CA C 13 53.712 0.055 . 1 . . . . . . . . 4668 1 1638 . 1 1 139 139 ASP CB C 13 40.745 0.063 . 1 . . . . . . . . 4668 1 1639 . 1 1 139 139 ASP H H 1 8.534 0.004 . 1 . . . . . . . . 4668 1 1640 . 1 1 139 139 ASP HA H 1 4.986 0.003 . 1 . . . . . . . . 4668 1 1641 . 1 1 139 139 ASP HB2 H 1 2.517 0.004 . 2 . . . . . . . . 4668 1 1642 . 1 1 139 139 ASP HB3 H 1 2.630 0.011 . 2 . . . . . . . . 4668 1 1643 . 1 1 139 139 ASP N N 15 124.226 0.059 . 1 . . . . . . . . 4668 1 1644 . 1 1 140 140 LEU C C 13 175.891 0.019 . 1 . . . . . . . . 4668 1 1645 . 1 1 140 140 LEU CA C 13 53.416 0.058 . 1 . . . . . . . . 4668 1 1646 . 1 1 140 140 LEU CB C 13 46.404 0.075 . 1 . . . . . . . . 4668 1 1647 . 1 1 140 140 LEU CD1 C 13 23.295 0.110 . 2 . . . . . . . . 4668 1 1648 . 1 1 140 140 LEU CD2 C 13 27.360 0.031 . 2 . . . . . . . . 4668 1 1649 . 1 1 140 140 LEU CG C 13 27.408 0.002 . 1 . . . . . . . . 4668 1 1650 . 1 1 140 140 LEU H H 1 8.671 0.002 . 1 . . . . . . . . 4668 1 1651 . 1 1 140 140 LEU HA H 1 5.171 0.005 . 1 . . . . . . . . 4668 1 1652 . 1 1 140 140 LEU HB2 H 1 1.703 0.009 . 2 . . . . . . . . 4668 1 1653 . 1 1 140 140 LEU HB3 H 1 1.878 0.003 . 2 . . . . . . . . 4668 1 1654 . 1 1 140 140 LEU HD11 H 1 0.765 0.008 . 2 . . . . . . . . 4668 1 1655 . 1 1 140 140 LEU HD12 H 1 0.765 0.008 . 2 . . . . . . . . 4668 1 1656 . 1 1 140 140 LEU HD13 H 1 0.765 0.008 . 2 . . . . . . . . 4668 1 1657 . 1 1 140 140 LEU HD21 H 1 1.301 0.006 . 2 . . . . . . . . 4668 1 1658 . 1 1 140 140 LEU HD22 H 1 1.301 0.006 . 2 . . . . . . . . 4668 1 1659 . 1 1 140 140 LEU HD23 H 1 1.301 0.006 . 2 . . . . . . . . 4668 1 1660 . 1 1 140 140 LEU HG H 1 1.977 0.003 . 1 . . . . . . . . 4668 1 1661 . 1 1 140 140 LEU N N 15 120.332 0.030 . 1 . . . . . . . . 4668 1 1662 . 1 1 141 141 VAL C C 13 175.819 0.000 . 1 . . . . . . . . 4668 1 1663 . 1 1 141 141 VAL CA C 13 61.718 0.050 . 1 . . . . . . . . 4668 1 1664 . 1 1 141 141 VAL CB C 13 33.459 0.117 . 1 . . . . . . . . 4668 1 1665 . 1 1 141 141 VAL CG1 C 13 20.977 0.000 . 2 . . . . . . . . 4668 1 1666 . 1 1 141 141 VAL CG2 C 13 21.288 0.000 . 2 . . . . . . . . 4668 1 1667 . 1 1 141 141 VAL H H 1 9.230 0.002 . 1 . . . . . . . . 4668 1 1668 . 1 1 141 141 VAL HA H 1 4.985 0.005 . 1 . . . . . . . . 4668 1 1669 . 1 1 141 141 VAL HB H 1 1.855 0.004 . 1 . . . . . . . . 4668 1 1670 . 1 1 141 141 VAL HG11 H 1 0.850 0.000 . 2 . . . . . . . . 4668 1 1671 . 1 1 141 141 VAL HG12 H 1 0.850 0.000 . 2 . . . . . . . . 4668 1 1672 . 1 1 141 141 VAL HG13 H 1 0.850 0.000 . 2 . . . . . . . . 4668 1 1673 . 1 1 141 141 VAL HG21 H 1 0.799 0.000 . 2 . . . . . . . . 4668 1 1674 . 1 1 141 141 VAL HG22 H 1 0.799 0.000 . 2 . . . . . . . . 4668 1 1675 . 1 1 141 141 VAL HG23 H 1 0.799 0.000 . 2 . . . . . . . . 4668 1 1676 . 1 1 141 141 VAL N N 15 122.807 0.051 . 1 . . . . . . . . 4668 1 1677 . 1 1 142 142 PHE C C 13 175.590 0.020 . 1 . . . . . . . . 4668 1 1678 . 1 1 142 142 PHE CA C 13 56.225 0.063 . 1 . . . . . . . . 4668 1 1679 . 1 1 142 142 PHE CB C 13 43.528 0.052 . 1 . . . . . . . . 4668 1 1680 . 1 1 142 142 PHE H H 1 9.403 0.004 . 1 . . . . . . . . 4668 1 1681 . 1 1 142 142 PHE HA H 1 5.973 0.004 . 1 . . . . . . . . 4668 1 1682 . 1 1 142 142 PHE HB2 H 1 2.778 0.000 . 2 . . . . . . . . 4668 1 1683 . 1 1 142 142 PHE HB3 H 1 2.747 0.000 . 2 . . . . . . . . 4668 1 1684 . 1 1 142 142 PHE N N 15 125.960 0.033 . 1 . . . . . . . . 4668 1 1685 . 1 1 143 143 THR C C 13 174.232 0.015 . 1 . . . . . . . . 4668 1 1686 . 1 1 143 143 THR CA C 13 62.602 0.032 . 1 . . . . . . . . 4668 1 1687 . 1 1 143 143 THR CB C 13 70.749 0.092 . 1 . . . . . . . . 4668 1 1688 . 1 1 143 143 THR CG2 C 13 21.777 0.033 . 1 . . . . . . . . 4668 1 1689 . 1 1 143 143 THR H H 1 9.303 0.003 . 1 . . . . . . . . 4668 1 1690 . 1 1 143 143 THR HA H 1 5.387 0.009 . 1 . . . . . . . . 4668 1 1691 . 1 1 143 143 THR HB H 1 3.821 0.009 . 1 . . . . . . . . 4668 1 1692 . 1 1 143 143 THR HG21 H 1 1.163 0.004 . 1 . . . . . . . . 4668 1 1693 . 1 1 143 143 THR HG22 H 1 1.163 0.004 . 1 . . . . . . . . 4668 1 1694 . 1 1 143 143 THR HG23 H 1 1.163 0.004 . 1 . . . . . . . . 4668 1 1695 . 1 1 143 143 THR N N 15 119.954 0.037 . 1 . . . . . . . . 4668 1 1696 . 1 1 144 144 ILE C C 13 173.361 0.008 . 1 . . . . . . . . 4668 1 1697 . 1 1 144 144 ILE CA C 13 60.876 0.054 . 1 . . . . . . . . 4668 1 1698 . 1 1 144 144 ILE CB C 13 42.675 0.096 . 1 . . . . . . . . 4668 1 1699 . 1 1 144 144 ILE CD1 C 13 13.614 0.084 . 1 . . . . . . . . 4668 1 1700 . 1 1 144 144 ILE CG1 C 13 27.732 0.068 . 1 . . . . . . . . 4668 1 1701 . 1 1 144 144 ILE CG2 C 13 17.820 0.063 . 1 . . . . . . . . 4668 1 1702 . 1 1 144 144 ILE H H 1 9.374 0.003 . 1 . . . . . . . . 4668 1 1703 . 1 1 144 144 ILE HA H 1 4.765 0.012 . 1 . . . . . . . . 4668 1 1704 . 1 1 144 144 ILE HB H 1 1.421 0.003 . 1 . . . . . . . . 4668 1 1705 . 1 1 144 144 ILE HD11 H 1 0.052 0.004 . 1 . . . . . . . . 4668 1 1706 . 1 1 144 144 ILE HD12 H 1 0.052 0.004 . 1 . . . . . . . . 4668 1 1707 . 1 1 144 144 ILE HD13 H 1 0.052 0.004 . 1 . . . . . . . . 4668 1 1708 . 1 1 144 144 ILE HG12 H 1 1.436 0.000 . 2 . . . . . . . . 4668 1 1709 . 1 1 144 144 ILE HG13 H 1 0.549 0.007 . 2 . . . . . . . . 4668 1 1710 . 1 1 144 144 ILE HG21 H 1 0.717 0.006 . 1 . . . . . . . . 4668 1 1711 . 1 1 144 144 ILE HG22 H 1 0.717 0.006 . 1 . . . . . . . . 4668 1 1712 . 1 1 144 144 ILE HG23 H 1 0.717 0.006 . 1 . . . . . . . . 4668 1 1713 . 1 1 144 144 ILE N N 15 127.454 0.010 . 1 . . . . . . . . 4668 1 1714 . 1 1 145 145 LYS C C 13 176.420 0.039 . 1 . . . . . . . . 4668 1 1715 . 1 1 145 145 LYS CA C 13 54.130 0.056 . 1 . . . . . . . . 4668 1 1716 . 1 1 145 145 LYS CB C 13 36.627 0.079 . 1 . . . . . . . . 4668 1 1717 . 1 1 145 145 LYS CD C 13 29.627 0.074 . 1 . . . . . . . . 4668 1 1718 . 1 1 145 145 LYS CE C 13 42.163 0.055 . 1 . . . . . . . . 4668 1 1719 . 1 1 145 145 LYS CG C 13 25.236 0.154 . 1 . . . . . . . . 4668 1 1720 . 1 1 145 145 LYS H H 1 9.094 0.003 . 1 . . . . . . . . 4668 1 1721 . 1 1 145 145 LYS HA H 1 5.555 0.007 . 1 . . . . . . . . 4668 1 1722 . 1 1 145 145 LYS HB2 H 1 1.715 0.002 . 2 . . . . . . . . 4668 1 1723 . 1 1 145 145 LYS HB3 H 1 1.827 0.006 . 2 . . . . . . . . 4668 1 1724 . 1 1 145 145 LYS N N 15 126.819 0.014 . 1 . . . . . . . . 4668 1 1725 . 1 1 145 145 LYS HD2 H 1 1.657 0.006 . 1 . . . . . . . . 4668 1 1726 . 1 1 145 145 LYS HD3 H 1 1.657 0.006 . 1 . . . . . . . . 4668 1 1727 . 1 1 145 145 LYS HE2 H 1 2.900 0.012 . 1 . . . . . . . . 4668 1 1728 . 1 1 145 145 LYS HE3 H 1 2.900 0.012 . 1 . . . . . . . . 4668 1 1729 . 1 1 145 145 LYS HG2 H 1 1.206 0.008 . 1 . . . . . . . . 4668 1 1730 . 1 1 145 145 LYS HG3 H 1 1.206 0.008 . 1 . . . . . . . . 4668 1 1731 . 1 1 146 146 ILE C C 13 176.046 0.020 . 1 . . . . . . . . 4668 1 1732 . 1 1 146 146 ILE CA C 13 60.731 0.082 . 1 . . . . . . . . 4668 1 1733 . 1 1 146 146 ILE CB C 13 35.595 0.078 . 1 . . . . . . . . 4668 1 1734 . 1 1 146 146 ILE CD1 C 13 11.715 0.019 . 1 . . . . . . . . 4668 1 1735 . 1 1 146 146 ILE CG1 C 13 27.348 0.054 . 1 . . . . . . . . 4668 1 1736 . 1 1 146 146 ILE CG2 C 13 18.004 0.063 . 1 . . . . . . . . 4668 1 1737 . 1 1 146 146 ILE H H 1 8.333 0.003 . 1 . . . . . . . . 4668 1 1738 . 1 1 146 146 ILE HA H 1 4.326 0.006 . 1 . . . . . . . . 4668 1 1739 . 1 1 146 146 ILE HB H 1 2.428 0.006 . 1 . . . . . . . . 4668 1 1740 . 1 1 146 146 ILE HD11 H 1 0.880 0.001 . 1 . . . . . . . . 4668 1 1741 . 1 1 146 146 ILE HD12 H 1 0.880 0.001 . 1 . . . . . . . . 4668 1 1742 . 1 1 146 146 ILE HD13 H 1 0.880 0.001 . 1 . . . . . . . . 4668 1 1743 . 1 1 146 146 ILE HG12 H 1 1.440 0.000 . 2 . . . . . . . . 4668 1 1744 . 1 1 146 146 ILE HG13 H 1 1.518 0.000 . 2 . . . . . . . . 4668 1 1745 . 1 1 146 146 ILE HG21 H 1 0.792 0.008 . 1 . . . . . . . . 4668 1 1746 . 1 1 146 146 ILE HG22 H 1 0.792 0.008 . 1 . . . . . . . . 4668 1 1747 . 1 1 146 146 ILE HG23 H 1 0.792 0.008 . 1 . . . . . . . . 4668 1 1748 . 1 1 146 146 ILE N N 15 123.682 0.038 . 1 . . . . . . . . 4668 1 1749 . 1 1 147 147 ILE C C 13 176.062 0.006 . 1 . . . . . . . . 4668 1 1750 . 1 1 147 147 ILE CA C 13 61.543 0.040 . 1 . . . . . . . . 4668 1 1751 . 1 1 147 147 ILE CB C 13 37.788 0.082 . 1 . . . . . . . . 4668 1 1752 . 1 1 147 147 ILE CD1 C 13 10.634 0.017 . 1 . . . . . . . . 4668 1 1753 . 1 1 147 147 ILE CG1 C 13 27.304 0.000 . 1 . . . . . . . . 4668 1 1754 . 1 1 147 147 ILE CG2 C 13 17.233 0.062 . 1 . . . . . . . . 4668 1 1755 . 1 1 147 147 ILE H H 1 9.152 0.004 . 1 . . . . . . . . 4668 1 1756 . 1 1 147 147 ILE HA H 1 4.178 0.004 . 1 . . . . . . . . 4668 1 1757 . 1 1 147 147 ILE HB H 1 1.767 0.008 . 1 . . . . . . . . 4668 1 1758 . 1 1 147 147 ILE HD11 H 1 0.824 0.005 . 1 . . . . . . . . 4668 1 1759 . 1 1 147 147 ILE HD12 H 1 0.824 0.005 . 1 . . . . . . . . 4668 1 1760 . 1 1 147 147 ILE HD13 H 1 0.824 0.005 . 1 . . . . . . . . 4668 1 1761 . 1 1 147 147 ILE HG12 H 1 1.386 0.010 . 2 . . . . . . . . 4668 1 1762 . 1 1 147 147 ILE HG13 H 1 1.547 0.011 . 2 . . . . . . . . 4668 1 1763 . 1 1 147 147 ILE HG21 H 1 0.984 0.007 . 1 . . . . . . . . 4668 1 1764 . 1 1 147 147 ILE HG22 H 1 0.984 0.007 . 1 . . . . . . . . 4668 1 1765 . 1 1 147 147 ILE HG23 H 1 0.984 0.007 . 1 . . . . . . . . 4668 1 1766 . 1 1 147 147 ILE N N 15 130.458 0.031 . 1 . . . . . . . . 4668 1 1767 . 1 1 148 148 GLU C C 13 173.905 0.024 . 1 . . . . . . . . 4668 1 1768 . 1 1 148 148 GLU CA C 13 55.821 0.044 . 1 . . . . . . . . 4668 1 1769 . 1 1 148 148 GLU CB C 13 34.174 0.048 . 1 . . . . . . . . 4668 1 1770 . 1 1 148 148 GLU CG C 13 35.977 0.055 . 1 . . . . . . . . 4668 1 1771 . 1 1 148 148 GLU H H 1 7.650 0.003 . 1 . . . . . . . . 4668 1 1772 . 1 1 148 148 GLU HA H 1 4.585 0.006 . 1 . . . . . . . . 4668 1 1773 . 1 1 148 148 GLU HG2 H 1 2.155 0.005 . 2 . . . . . . . . 4668 1 1774 . 1 1 148 148 GLU HG3 H 1 2.046 0.000 . 2 . . . . . . . . 4668 1 1775 . 1 1 148 148 GLU N N 15 114.534 0.032 . 1 . . . . . . . . 4668 1 1776 . 1 1 148 148 GLU HB2 H 1 2.038 0.000 . 1 . . . . . . . . 4668 1 1777 . 1 1 148 148 GLU HB3 H 1 2.038 0.000 . 1 . . . . . . . . 4668 1 1778 . 1 1 149 149 VAL C C 13 175.478 0.033 . 1 . . . . . . . . 4668 1 1779 . 1 1 149 149 VAL CA C 13 62.435 0.073 . 1 . . . . . . . . 4668 1 1780 . 1 1 149 149 VAL CB C 13 33.084 0.070 . 1 . . . . . . . . 4668 1 1781 . 1 1 149 149 VAL CG1 C 13 21.270 0.000 . 2 . . . . . . . . 4668 1 1782 . 1 1 149 149 VAL CG2 C 13 21.291 0.023 . 2 . . . . . . . . 4668 1 1783 . 1 1 149 149 VAL H H 1 8.535 0.003 . 1 . . . . . . . . 4668 1 1784 . 1 1 149 149 VAL HA H 1 4.437 0.005 . 1 . . . . . . . . 4668 1 1785 . 1 1 149 149 VAL HB H 1 1.931 0.006 . 1 . . . . . . . . 4668 1 1786 . 1 1 149 149 VAL HG11 H 1 0.901 0.000 . 2 . . . . . . . . 4668 1 1787 . 1 1 149 149 VAL HG12 H 1 0.901 0.000 . 2 . . . . . . . . 4668 1 1788 . 1 1 149 149 VAL HG13 H 1 0.901 0.000 . 2 . . . . . . . . 4668 1 1789 . 1 1 149 149 VAL HG21 H 1 0.867 0.001 . 2 . . . . . . . . 4668 1 1790 . 1 1 149 149 VAL HG22 H 1 0.867 0.001 . 2 . . . . . . . . 4668 1 1791 . 1 1 149 149 VAL HG23 H 1 0.867 0.001 . 2 . . . . . . . . 4668 1 1792 . 1 1 149 149 VAL N N 15 123.482 0.046 . 1 . . . . . . . . 4668 1 1793 . 1 1 150 150 VAL C C 13 174.924 0.028 . 1 . . . . . . . . 4668 1 1794 . 1 1 150 150 VAL CA C 13 62.962 0.059 . 1 . . . . . . . . 4668 1 1795 . 1 1 150 150 VAL CB C 13 32.330 0.065 . 1 . . . . . . . . 4668 1 1796 . 1 1 150 150 VAL CG1 C 13 21.333 0.058 . 2 . . . . . . . . 4668 1 1797 . 1 1 150 150 VAL CG2 C 13 21.046 0.000 . 2 . . . . . . . . 4668 1 1798 . 1 1 150 150 VAL H H 1 8.887 0.004 . 1 . . . . . . . . 4668 1 1799 . 1 1 150 150 VAL HA H 1 4.046 0.005 . 1 . . . . . . . . 4668 1 1800 . 1 1 150 150 VAL HB H 1 1.866 0.006 . 1 . . . . . . . . 4668 1 1801 . 1 1 150 150 VAL HG11 H 1 0.964 0.004 . 2 . . . . . . . . 4668 1 1802 . 1 1 150 150 VAL HG12 H 1 0.964 0.004 . 2 . . . . . . . . 4668 1 1803 . 1 1 150 150 VAL HG13 H 1 0.964 0.004 . 2 . . . . . . . . 4668 1 1804 . 1 1 150 150 VAL HG21 H 1 0.845 0.007 . 2 . . . . . . . . 4668 1 1805 . 1 1 150 150 VAL HG22 H 1 0.845 0.007 . 2 . . . . . . . . 4668 1 1806 . 1 1 150 150 VAL HG23 H 1 0.845 0.007 . 2 . . . . . . . . 4668 1 1807 . 1 1 150 150 VAL N N 15 129.284 0.022 . 1 . . . . . . . . 4668 1 1808 . 1 1 151 151 GLU CA C 13 58.117 0.040 . 1 . . . . . . . . 4668 1 1809 . 1 1 151 151 GLU CB C 13 31.404 0.072 . 1 . . . . . . . . 4668 1 1810 . 1 1 151 151 GLU CG C 13 36.854 0.000 . 1 . . . . . . . . 4668 1 1811 . 1 1 151 151 GLU H H 1 8.099 0.003 . 1 . . . . . . . . 4668 1 1812 . 1 1 151 151 GLU HA H 1 4.198 0.003 . 1 . . . . . . . . 4668 1 1813 . 1 1 151 151 GLU HB2 H 1 1.944 0.005 . 2 . . . . . . . . 4668 1 1814 . 1 1 151 151 GLU HB3 H 1 2.072 0.005 . 2 . . . . . . . . 4668 1 1815 . 1 1 151 151 GLU N N 15 130.513 0.017 . 1 . . . . . . . . 4668 1 1816 . 1 1 151 151 GLU HG2 H 1 2.227 0.003 . 1 . . . . . . . . 4668 1 1817 . 1 1 151 151 GLU HG3 H 1 2.227 0.003 . 1 . . . . . . . . 4668 1 stop_ save_