data_6514 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6514 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for Psuedomonas Aeruginosa protein PA4608 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-02-17 _Entry.Accession_date 2005-02-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Northeast Structural Genomics Target PaT7' _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 Theresa Ramelot . A. . 6514 2 Adelinda Yee . A. . 6514 3 Cheryl Arrowsmith . H. . 6514 4 Michael Kennedy . A . 6514 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6514 coupling_constants 1 6514 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 486 6514 '15N chemical shifts' 108 6514 '1H chemical shifts' 793 6514 'coupling constants' 66 6514 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-04-19 2005-02-17 original author 'original release' 6514 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6514 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR Structure of Pseudomonas Aeruginosa PA4608. Northeast Structural Genomics Target PaT7.' _Citation.Status 'in preparation' _Citation.Type 'BMRB only' _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 . 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 Theresa Ramelot . A . 6514 1 2 Adelinda Yee . A . 6514 1 3 Cheryl Arrowsmith . H. . 6514 1 4 Michael Kennedy . A. . 6514 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6514 _Assembly.ID 1 _Assembly.Name PA4608 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 14.6 _Assembly.Enzyme_commission_number . _Assembly.Details 'protein monomer' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 PA4608 1 $PA4608 . . yes native no no . . . 6514 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PA4608 _Entity.Sf_category entity _Entity.Sf_framecode PA4608 _Entity.Entry_ID 6514 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PA4608 _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 ; MGSSHHHHHHSSGRENLYFQ GHMSDQHDERRRFHRIAFDA DSEILQGERRWEVLLHDVSL HGILVGQPQDWNGDPQRPFE ARLYLGLDVLIRMEISLAWA RDGLLGFECQHIDLDSISHL RRLVELNLGDEELLERELAL LVSAHDDGS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17496 . PA4608 . . . . . 84.56 145 100.00 100.00 1.19e-69 . . . . 6514 1 2 no PDB 1YWU . "Solution Nmr Structure Of Pseudomonas Aeruginosa Protein Pa4608. Northeast Structural Genomics Target Pat7" . . . . . 100.00 149 100.00 100.00 1.79e-99 . . . . 6514 1 3 no PDB 2L74 . "Solution Structure Of The Pilz Domain Protein Pa4608 Complex With C- Di-Gmp Identifies Charge Clustering As Molecular Readout" . . . . . 84.56 145 100.00 100.00 1.19e-69 . . . . 6514 1 4 no DBJ BAK87859 . "hypothetical protein NCGM2_0983 [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 83.89 125 100.00 100.00 1.46e-80 . . . . 6514 1 5 no DBJ BAP21553 . "hypothetical protein NCGM1900_2451 [Pseudomonas aeruginosa]" . . . . . 83.89 125 100.00 100.00 1.46e-80 . . . . 6514 1 6 no DBJ BAP53111 . "hypothetical protein NCGM1984_5169 [Pseudomonas aeruginosa]" . . . . . 83.89 125 100.00 100.00 1.46e-80 . . . . 6514 1 7 no DBJ GAA20950 . "hypothetical protein NCGM1179_5821 [Pseudomonas aeruginosa NCMG1179]" . . . . . 83.89 125 100.00 100.00 1.46e-80 . . . . 6514 1 8 no DBJ GAJ55407 . "hypothetical protein RBRAMI_4304 [Pseudomonas aeruginosa RB]" . . . . . 83.89 125 100.00 100.00 1.46e-80 . . . . 6514 1 9 no EMBL CAW29747 . "hypothetical protein PLES_49931 [Pseudomonas aeruginosa LESB58]" . . . . . 83.89 125 100.00 100.00 1.46e-80 . . . . 6514 1 10 no EMBL CCQ83984 . "hypothetical protein PA18A_562 [Pseudomonas aeruginosa 18A]" . . . . . 83.89 125 100.00 100.00 1.46e-80 . . . . 6514 1 11 no EMBL CDH73305 . "hypothetical protein P38_5109 [Pseudomonas aeruginosa MH38]" . . . . . 83.89 125 100.00 100.00 1.46e-80 . . . . 6514 1 12 no EMBL CDH79614 . "hypothetical protein PAMH27_5249 [Pseudomonas aeruginosa MH27]" . . . . . 83.89 125 100.00 100.00 1.46e-80 . . . . 6514 1 13 no EMBL CDI93152 . "type IV pilus assembly PilZ [Pseudomonas aeruginosa PA38182]" . . . . . 83.89 125 100.00 100.00 1.46e-80 . . . . 6514 1 14 no GB AAG07996 . "hypothetical protein PA4608 [Pseudomonas aeruginosa PAO1]" . . . . . 83.89 125 100.00 100.00 1.46e-80 . . . . 6514 1 15 no GB ABJ13986 . "conserved hypothetical protein [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 83.89 125 100.00 100.00 1.46e-80 . . . . 6514 1 16 no GB ABR81943 . "hypothetical protein PSPA7_5248 [Pseudomonas aeruginosa PA7]" . . . . . 83.89 125 99.20 100.00 8.46e-80 . . . . 6514 1 17 no GB AEO77182 . "hypothetical protein PAM18_4702 [Pseudomonas aeruginosa M18]" . . . . . 83.89 125 100.00 100.00 1.46e-80 . . . . 6514 1 18 no GB AFM67158 . "hypothetical protein PADK2_24475 [Pseudomonas aeruginosa DK2]" . . . . . 83.89 125 100.00 100.00 1.46e-80 . . . . 6514 1 19 no REF NP_253298 . "hypothetical protein PA4608 [Pseudomonas aeruginosa PAO1]" . . . . . 83.89 125 100.00 100.00 1.46e-80 . . . . 6514 1 20 no REF WP_003094864 . "MULTISPECIES: pilus assembly protein [Pseudomonas]" . . . . . 83.89 125 100.00 100.00 1.46e-80 . . . . 6514 1 21 no REF WP_003123411 . "pilus assembly protein [Pseudomonas aeruginosa]" . . . . . 83.89 125 99.20 100.00 4.96e-80 . . . . 6514 1 22 no REF WP_003153057 . "pilus assembly protein [Pseudomonas aeruginosa]" . . . . . 83.89 125 99.20 100.00 8.46e-80 . . . . 6514 1 23 no REF WP_024914602 . "pilus assembly protein [Pseudomonas aeruginosa]" . . . . . 83.89 125 98.40 100.00 2.69e-79 . . . . 6514 1 24 no SP Q9HVI1 . "RecName: Full=Cyclic diguanosine monophosphate-binding protein PA4608; Short=c-di-GMP-binding protein PA4608; AltName: Full=Pil" . . . . . 83.89 125 100.00 100.00 1.46e-80 . . . . 6514 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 -22 MET . 6514 1 2 -21 GLY . 6514 1 3 -20 SER . 6514 1 4 -19 SER . 6514 1 5 -18 HIS . 6514 1 6 -17 HIS . 6514 1 7 -16 HIS . 6514 1 8 -15 HIS . 6514 1 9 -14 HIS . 6514 1 10 -13 HIS . 6514 1 11 -12 SER . 6514 1 12 -11 SER . 6514 1 13 -10 GLY . 6514 1 14 -9 ARG . 6514 1 15 -8 GLU . 6514 1 16 -7 ASN . 6514 1 17 -6 LEU . 6514 1 18 -5 TYR . 6514 1 19 -4 PHE . 6514 1 20 -3 GLN . 6514 1 21 -2 GLY . 6514 1 22 -1 HIS . 6514 1 23 1 MET . 6514 1 24 2 SER . 6514 1 25 3 ASP . 6514 1 26 4 GLN . 6514 1 27 5 HIS . 6514 1 28 6 ASP . 6514 1 29 7 GLU . 6514 1 30 8 ARG . 6514 1 31 9 ARG . 6514 1 32 10 ARG . 6514 1 33 11 PHE . 6514 1 34 12 HIS . 6514 1 35 13 ARG . 6514 1 36 14 ILE . 6514 1 37 15 ALA . 6514 1 38 16 PHE . 6514 1 39 17 ASP . 6514 1 40 18 ALA . 6514 1 41 19 ASP . 6514 1 42 20 SER . 6514 1 43 21 GLU . 6514 1 44 22 ILE . 6514 1 45 23 LEU . 6514 1 46 24 GLN . 6514 1 47 25 GLY . 6514 1 48 26 GLU . 6514 1 49 27 ARG . 6514 1 50 28 ARG . 6514 1 51 29 TRP . 6514 1 52 30 GLU . 6514 1 53 31 VAL . 6514 1 54 32 LEU . 6514 1 55 33 LEU . 6514 1 56 34 HIS . 6514 1 57 35 ASP . 6514 1 58 36 VAL . 6514 1 59 37 SER . 6514 1 60 38 LEU . 6514 1 61 39 HIS . 6514 1 62 40 GLY . 6514 1 63 41 ILE . 6514 1 64 42 LEU . 6514 1 65 43 VAL . 6514 1 66 44 GLY . 6514 1 67 45 GLN . 6514 1 68 46 PRO . 6514 1 69 47 GLN . 6514 1 70 48 ASP . 6514 1 71 49 TRP . 6514 1 72 50 ASN . 6514 1 73 51 GLY . 6514 1 74 52 ASP . 6514 1 75 53 PRO . 6514 1 76 54 GLN . 6514 1 77 55 ARG . 6514 1 78 56 PRO . 6514 1 79 57 PHE . 6514 1 80 58 GLU . 6514 1 81 59 ALA . 6514 1 82 60 ARG . 6514 1 83 61 LEU . 6514 1 84 62 TYR . 6514 1 85 63 LEU . 6514 1 86 64 GLY . 6514 1 87 65 LEU . 6514 1 88 66 ASP . 6514 1 89 67 VAL . 6514 1 90 68 LEU . 6514 1 91 69 ILE . 6514 1 92 70 ARG . 6514 1 93 71 MET . 6514 1 94 72 GLU . 6514 1 95 73 ILE . 6514 1 96 74 SER . 6514 1 97 75 LEU . 6514 1 98 76 ALA . 6514 1 99 77 TRP . 6514 1 100 78 ALA . 6514 1 101 79 ARG . 6514 1 102 80 ASP . 6514 1 103 81 GLY . 6514 1 104 82 LEU . 6514 1 105 83 LEU . 6514 1 106 84 GLY . 6514 1 107 85 PHE . 6514 1 108 86 GLU . 6514 1 109 87 CYS . 6514 1 110 88 GLN . 6514 1 111 89 HIS . 6514 1 112 90 ILE . 6514 1 113 91 ASP . 6514 1 114 92 LEU . 6514 1 115 93 ASP . 6514 1 116 94 SER . 6514 1 117 95 ILE . 6514 1 118 96 SER . 6514 1 119 97 HIS . 6514 1 120 98 LEU . 6514 1 121 99 ARG . 6514 1 122 100 ARG . 6514 1 123 101 LEU . 6514 1 124 102 VAL . 6514 1 125 103 GLU . 6514 1 126 104 LEU . 6514 1 127 105 ASN . 6514 1 128 106 LEU . 6514 1 129 107 GLY . 6514 1 130 108 ASP . 6514 1 131 109 GLU . 6514 1 132 110 GLU . 6514 1 133 111 LEU . 6514 1 134 112 LEU . 6514 1 135 113 GLU . 6514 1 136 114 ARG . 6514 1 137 115 GLU . 6514 1 138 116 LEU . 6514 1 139 117 ALA . 6514 1 140 118 LEU . 6514 1 141 119 LEU . 6514 1 142 120 VAL . 6514 1 143 121 SER . 6514 1 144 122 ALA . 6514 1 145 123 HIS . 6514 1 146 124 ASP . 6514 1 147 125 ASP . 6514 1 148 126 GLY . 6514 1 149 127 SER . 6514 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 6514 1 . GLY 2 2 6514 1 . SER 3 3 6514 1 . SER 4 4 6514 1 . HIS 5 5 6514 1 . HIS 6 6 6514 1 . HIS 7 7 6514 1 . HIS 8 8 6514 1 . HIS 9 9 6514 1 . HIS 10 10 6514 1 . SER 11 11 6514 1 . SER 12 12 6514 1 . GLY 13 13 6514 1 . ARG 14 14 6514 1 . GLU 15 15 6514 1 . ASN 16 16 6514 1 . LEU 17 17 6514 1 . TYR 18 18 6514 1 . PHE 19 19 6514 1 . GLN 20 20 6514 1 . GLY 21 21 6514 1 . HIS 22 22 6514 1 . MET 23 23 6514 1 . SER 24 24 6514 1 . ASP 25 25 6514 1 . GLN 26 26 6514 1 . HIS 27 27 6514 1 . ASP 28 28 6514 1 . GLU 29 29 6514 1 . ARG 30 30 6514 1 . ARG 31 31 6514 1 . ARG 32 32 6514 1 . PHE 33 33 6514 1 . HIS 34 34 6514 1 . ARG 35 35 6514 1 . ILE 36 36 6514 1 . ALA 37 37 6514 1 . PHE 38 38 6514 1 . ASP 39 39 6514 1 . ALA 40 40 6514 1 . ASP 41 41 6514 1 . SER 42 42 6514 1 . GLU 43 43 6514 1 . ILE 44 44 6514 1 . LEU 45 45 6514 1 . GLN 46 46 6514 1 . GLY 47 47 6514 1 . GLU 48 48 6514 1 . ARG 49 49 6514 1 . ARG 50 50 6514 1 . TRP 51 51 6514 1 . GLU 52 52 6514 1 . VAL 53 53 6514 1 . LEU 54 54 6514 1 . LEU 55 55 6514 1 . HIS 56 56 6514 1 . ASP 57 57 6514 1 . VAL 58 58 6514 1 . SER 59 59 6514 1 . LEU 60 60 6514 1 . HIS 61 61 6514 1 . GLY 62 62 6514 1 . ILE 63 63 6514 1 . LEU 64 64 6514 1 . VAL 65 65 6514 1 . GLY 66 66 6514 1 . GLN 67 67 6514 1 . PRO 68 68 6514 1 . GLN 69 69 6514 1 . ASP 70 70 6514 1 . TRP 71 71 6514 1 . ASN 72 72 6514 1 . GLY 73 73 6514 1 . ASP 74 74 6514 1 . PRO 75 75 6514 1 . GLN 76 76 6514 1 . ARG 77 77 6514 1 . PRO 78 78 6514 1 . PHE 79 79 6514 1 . GLU 80 80 6514 1 . ALA 81 81 6514 1 . ARG 82 82 6514 1 . LEU 83 83 6514 1 . TYR 84 84 6514 1 . LEU 85 85 6514 1 . GLY 86 86 6514 1 . LEU 87 87 6514 1 . ASP 88 88 6514 1 . VAL 89 89 6514 1 . LEU 90 90 6514 1 . ILE 91 91 6514 1 . ARG 92 92 6514 1 . MET 93 93 6514 1 . GLU 94 94 6514 1 . ILE 95 95 6514 1 . SER 96 96 6514 1 . LEU 97 97 6514 1 . ALA 98 98 6514 1 . TRP 99 99 6514 1 . ALA 100 100 6514 1 . ARG 101 101 6514 1 . ASP 102 102 6514 1 . GLY 103 103 6514 1 . LEU 104 104 6514 1 . LEU 105 105 6514 1 . GLY 106 106 6514 1 . PHE 107 107 6514 1 . GLU 108 108 6514 1 . CYS 109 109 6514 1 . GLN 110 110 6514 1 . HIS 111 111 6514 1 . ILE 112 112 6514 1 . ASP 113 113 6514 1 . LEU 114 114 6514 1 . ASP 115 115 6514 1 . SER 116 116 6514 1 . ILE 117 117 6514 1 . SER 118 118 6514 1 . HIS 119 119 6514 1 . LEU 120 120 6514 1 . ARG 121 121 6514 1 . ARG 122 122 6514 1 . LEU 123 123 6514 1 . VAL 124 124 6514 1 . GLU 125 125 6514 1 . LEU 126 126 6514 1 . ASN 127 127 6514 1 . LEU 128 128 6514 1 . GLY 129 129 6514 1 . ASP 130 130 6514 1 . GLU 131 131 6514 1 . GLU 132 132 6514 1 . LEU 133 133 6514 1 . LEU 134 134 6514 1 . GLU 135 135 6514 1 . ARG 136 136 6514 1 . GLU 137 137 6514 1 . LEU 138 138 6514 1 . ALA 139 139 6514 1 . LEU 140 140 6514 1 . LEU 141 141 6514 1 . VAL 142 142 6514 1 . SER 143 143 6514 1 . ALA 144 144 6514 1 . HIS 145 145 6514 1 . ASP 146 146 6514 1 . ASP 147 147 6514 1 . GLY 148 148 6514 1 . SER 149 149 6514 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 6514 _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 $PA4608 . 287 organism . 'Pseudomonas Aeruginosa' 'Pseudomonas Aeruginosa' . . Eubacteria . Pseudomonas Aeruginosa . . . . . . . . . . . . . . . . . . . . . 6514 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 6514 _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 $PA4608 . 'recombinant technology' . 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pet11 . . . . . . 6514 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6514 _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 PA4608 '[U-13C; U-15N]' . . 1 $PA4608 . . 1 . . mM .2 . . . 6514 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6514 _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 7.1 0.1 pH 6514 1 temperature 293 1 K 6514 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6514 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_750MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750MHz_spectrometer _NMR_spectrometer.Entry_ID 6514 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6514 _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 1H15N_HSQC no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6514 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6514 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6514 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6514 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6514 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6514 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6514 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err .2 _Assigned_chem_shift_list.Chem_shift_15N_err .2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 1H15N_HSQC 1 $sample_1 isotropic 6514 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 36 36 ILE HA H 1 3.84 0.02 . 1 . . . . 14 ILE HA . 6514 1 2 . 1 1 36 36 ILE HB H 1 2.05 0.02 . 1 . . . . 14 ILE HB . 6514 1 3 . 1 1 36 36 ILE HG12 H 1 0.83 0.02 . 2 . . . . 14 ILE HG12 . 6514 1 4 . 1 1 36 36 ILE HG13 H 1 1.61 0.02 . 2 . . . . 14 ILE HG13 . 6514 1 5 . 1 1 36 36 ILE HG21 H 1 0.54 0.02 . 1 . . . . 14 ILE HG2 . 6514 1 6 . 1 1 36 36 ILE HG22 H 1 0.54 0.02 . 1 . . . . 14 ILE HG2 . 6514 1 7 . 1 1 36 36 ILE HG23 H 1 0.54 0.02 . 1 . . . . 14 ILE HG2 . 6514 1 8 . 1 1 36 36 ILE HD11 H 1 0.76 0.02 . 1 . . . . 14 ILE HD1 . 6514 1 9 . 1 1 36 36 ILE HD12 H 1 0.76 0.02 . 1 . . . . 14 ILE HD1 . 6514 1 10 . 1 1 36 36 ILE HD13 H 1 0.76 0.02 . 1 . . . . 14 ILE HD1 . 6514 1 11 . 1 1 36 36 ILE C C 13 172.7 0.2 . 1 . . . . 14 ILE C . 6514 1 12 . 1 1 36 36 ILE CA C 13 61.9 0.2 . 1 . . . . 14 ILE CA . 6514 1 13 . 1 1 36 36 ILE CB C 13 36.7 0.2 . 1 . . . . 14 ILE CB . 6514 1 14 . 1 1 36 36 ILE CG1 C 13 27.6 0.2 . 1 . . . . 14 ILE CG1 . 6514 1 15 . 1 1 36 36 ILE CG2 C 13 17.8 0.2 . 1 . . . . 14 ILE CG2 . 6514 1 16 . 1 1 36 36 ILE CD1 C 13 13.0 0.2 . 1 . . . . 14 ILE CD1 . 6514 1 17 . 1 1 37 37 ALA H H 1 7.44 0.02 . 1 . . . . 15 ALA H . 6514 1 18 . 1 1 37 37 ALA HA H 1 4.22 0.02 . 1 . . . . 15 ALA HA . 6514 1 19 . 1 1 37 37 ALA HB1 H 1 1.11 0.02 . 1 . . . . 15 ALA HB . 6514 1 20 . 1 1 37 37 ALA HB2 H 1 1.11 0.02 . 1 . . . . 15 ALA HB . 6514 1 21 . 1 1 37 37 ALA HB3 H 1 1.11 0.02 . 1 . . . . 15 ALA HB . 6514 1 22 . 1 1 37 37 ALA CA C 13 51.1 0.2 . 1 . . . . 15 ALA CA . 6514 1 23 . 1 1 37 37 ALA CB C 13 20.3 0.2 . 1 . . . . 15 ALA CB . 6514 1 24 . 1 1 37 37 ALA N N 15 126.2 0.2 . 1 . . . . 15 ALA N . 6514 1 25 . 1 1 38 38 PHE H H 1 7.24 0.02 . 1 . . . . 16 PHE H . 6514 1 26 . 1 1 38 38 PHE HA H 1 4.60 0.02 . 1 . . . . 16 PHE HA . 6514 1 27 . 1 1 38 38 PHE HB2 H 1 2.84 0.02 . 2 . . . . 16 PHE HB2 . 6514 1 28 . 1 1 38 38 PHE HB3 H 1 3.09 0.02 . 2 . . . . 16 PHE HB3 . 6514 1 29 . 1 1 38 38 PHE HD1 H 1 6.85 0.02 . 1 . . . . 16 PHE HD1 . 6514 1 30 . 1 1 38 38 PHE HD2 H 1 6.85 0.02 . 1 . . . . 16 PHE HD2 . 6514 1 31 . 1 1 38 38 PHE HE1 H 1 6.85 0.02 . 1 . . . . 16 PHE HE1 . 6514 1 32 . 1 1 38 38 PHE HE2 H 1 6.85 0.02 . 1 . . . . 16 PHE HE2 . 6514 1 33 . 1 1 38 38 PHE HZ H 1 6.80 0.02 . 1 . . . . 16 PHE HZ . 6514 1 34 . 1 1 38 38 PHE CA C 13 55.9 0.2 . 1 . . . . 16 PHE CA . 6514 1 35 . 1 1 38 38 PHE CB C 13 39.9 0.2 . 1 . . . . 16 PHE CB . 6514 1 36 . 1 1 38 38 PHE CD1 C 13 132.2 0.2 . 1 . . . . 16 PHE CD1 . 6514 1 37 . 1 1 38 38 PHE CD2 C 13 132.2 0.2 . 1 . . . . 16 PHE CD2 . 6514 1 38 . 1 1 38 38 PHE CE1 C 13 130.6 0.2 . 1 . . . . 16 PHE CE1 . 6514 1 39 . 1 1 38 38 PHE CE2 C 13 130.6 0.2 . 1 . . . . 16 PHE CE2 . 6514 1 40 . 1 1 38 38 PHE CZ C 13 128.8 0.2 . 1 . . . . 16 PHE CZ . 6514 1 41 . 1 1 38 38 PHE N N 15 117.2 0.2 . 1 . . . . 16 PHE N . 6514 1 42 . 1 1 39 39 ASP HA H 1 4.64 0.02 . 1 . . . . 17 ASP HA . 6514 1 43 . 1 1 39 39 ASP HB2 H 1 2.57 0.02 . 2 . . . . 17 ASP HB2 . 6514 1 44 . 1 1 39 39 ASP HB3 H 1 2.70 0.02 . 2 . . . . 17 ASP HB3 . 6514 1 45 . 1 1 39 39 ASP C C 13 174.8 0.2 . 1 . . . . 17 ASP C . 6514 1 46 . 1 1 39 39 ASP CA C 13 54.2 0.2 . 1 . . . . 17 ASP CA . 6514 1 47 . 1 1 39 39 ASP CB C 13 40.4 0.2 . 1 . . . . 17 ASP CB . 6514 1 48 . 1 1 40 40 ALA H H 1 7.81 0.02 . 1 . . . . 18 ALA H . 6514 1 49 . 1 1 40 40 ALA HA H 1 4.62 0.02 . 1 . . . . 18 ALA HA . 6514 1 50 . 1 1 40 40 ALA HB1 H 1 1.19 0.02 . 1 . . . . 18 ALA HB . 6514 1 51 . 1 1 40 40 ALA HB2 H 1 1.19 0.02 . 1 . . . . 18 ALA HB . 6514 1 52 . 1 1 40 40 ALA HB3 H 1 1.19 0.02 . 1 . . . . 18 ALA HB . 6514 1 53 . 1 1 40 40 ALA C C 13 176.4 0.2 . 1 . . . . 18 ALA C . 6514 1 54 . 1 1 40 40 ALA CA C 13 51.5 0.2 . 1 . . . . 18 ALA CA . 6514 1 55 . 1 1 40 40 ALA CB C 13 21.5 0.2 . 1 . . . . 18 ALA CB . 6514 1 56 . 1 1 40 40 ALA N N 15 123.98 0.2 . 1 . . . . 18 ALA N . 6514 1 57 . 1 1 41 41 ASP H H 1 8.32 0.02 . 1 . . . . 19 ASP H . 6514 1 58 . 1 1 41 41 ASP HA H 1 5.01 0.02 . 1 . . . . 19 ASP HA . 6514 1 59 . 1 1 41 41 ASP HB2 H 1 2.67 0.02 . 2 . . . . 19 ASP HB2 . 6514 1 60 . 1 1 41 41 ASP HB3 H 1 2.78 0.02 . 2 . . . . 19 ASP HB3 . 6514 1 61 . 1 1 41 41 ASP C C 13 175.5 0.2 . 1 . . . . 19 ASP C . 6514 1 62 . 1 1 41 41 ASP CA C 13 54.5 0.2 . 1 . . . . 19 ASP CA . 6514 1 63 . 1 1 41 41 ASP CB C 13 41.7 0.2 . 1 . . . . 19 ASP CB . 6514 1 64 . 1 1 41 41 ASP N N 15 121.5 0.2 . 1 . . . . 19 ASP N . 6514 1 65 . 1 1 42 42 SER H H 1 8.95 0.02 . 1 . . . . 20 SER H . 6514 1 66 . 1 1 42 42 SER HA H 1 5.56 0.02 . 1 . . . . 20 SER HA . 6514 1 67 . 1 1 42 42 SER HB2 H 1 3.40 0.02 . 2 . . . . 20 SER HB2 . 6514 1 68 . 1 1 42 42 SER HB3 H 1 3.91 0.02 . 2 . . . . 20 SER HB3 . 6514 1 69 . 1 1 42 42 SER C C 13 173.6 0.2 . 1 . . . . 20 SER C . 6514 1 70 . 1 1 42 42 SER CA C 13 58.1 0.2 . 1 . . . . 20 SER CA . 6514 1 71 . 1 1 42 42 SER CB C 13 64.9 0.2 . 1 . . . . 20 SER CB . 6514 1 72 . 1 1 42 42 SER N N 15 119.0 0.2 . 1 . . . . 20 SER N . 6514 1 73 . 1 1 43 43 GLU H H 1 9.14 0.02 . 1 . . . . 21 GLU H . 6514 1 74 . 1 1 43 43 GLU HA H 1 5.55 0.02 . 1 . . . . 21 GLU HA . 6514 1 75 . 1 1 43 43 GLU HB2 H 1 1.99 0.02 . 2 . . . . 21 GLU HB2 . 6514 1 76 . 1 1 43 43 GLU HB3 H 1 2.13 0.02 . 2 . . . . 21 GLU HB3 . 6514 1 77 . 1 1 43 43 GLU HG2 H 1 2.24 0.02 . 2 . . . . 21 GLU HG2 . 6514 1 78 . 1 1 43 43 GLU HG3 H 1 2.44 0.02 . 2 . . . . 21 GLU HG3 . 6514 1 79 . 1 1 43 43 GLU C C 13 174.1 0.2 . 1 . . . . 21 GLU C . 6514 1 80 . 1 1 43 43 GLU CA C 13 54.1 0.2 . 1 . . . . 21 GLU CA . 6514 1 81 . 1 1 43 43 GLU CB C 13 34.3 0.2 . 1 . . . . 21 GLU CB . 6514 1 82 . 1 1 43 43 GLU CG C 13 36.3 0.2 . 1 . . . . 21 GLU CG . 6514 1 83 . 1 1 43 43 GLU N N 15 122.56 0.2 . 1 . . . . 21 GLU N . 6514 1 84 . 1 1 44 44 ILE H H 1 9.09 0.02 . 1 . . . . 22 ILE H . 6514 1 85 . 1 1 44 44 ILE HA H 1 5.25 0.02 . 1 . . . . 22 ILE HA . 6514 1 86 . 1 1 44 44 ILE HB H 1 2.10 0.02 . 1 . . . . 22 ILE HB . 6514 1 87 . 1 1 44 44 ILE HG12 H 1 1.26 0.02 . 2 . . . . 22 ILE HG12 . 6514 1 88 . 1 1 44 44 ILE HG13 H 1 1.38 0.02 . 2 . . . . 22 ILE HG13 . 6514 1 89 . 1 1 44 44 ILE HG21 H 1 1.02 0.02 . 1 . . . . 22 ILE HG2 . 6514 1 90 . 1 1 44 44 ILE HG22 H 1 1.02 0.02 . 1 . . . . 22 ILE HG2 . 6514 1 91 . 1 1 44 44 ILE HG23 H 1 1.02 0.02 . 1 . . . . 22 ILE HG2 . 6514 1 92 . 1 1 44 44 ILE HD11 H 1 0.25 0.02 . 1 . . . . 22 ILE HD1 . 6514 1 93 . 1 1 44 44 ILE HD12 H 1 0.25 0.02 . 1 . . . . 22 ILE HD1 . 6514 1 94 . 1 1 44 44 ILE HD13 H 1 0.25 0.02 . 1 . . . . 22 ILE HD1 . 6514 1 95 . 1 1 44 44 ILE C C 13 174.5 0.2 . 1 . . . . 22 ILE C . 6514 1 96 . 1 1 44 44 ILE CA C 13 58.0 0.2 . 1 . . . . 22 ILE CA . 6514 1 97 . 1 1 44 44 ILE CB C 13 39.5 0.2 . 1 . . . . 22 ILE CB . 6514 1 98 . 1 1 44 44 ILE CG1 C 13 27.5 0.2 . 1 . . . . 22 ILE CG1 . 6514 1 99 . 1 1 44 44 ILE CG2 C 13 18.9 0.2 . 1 . . . . 22 ILE CG2 . 6514 1 100 . 1 1 44 44 ILE CD1 C 13 11.0 0.2 . 1 . . . . 22 ILE CD1 . 6514 1 101 . 1 1 44 44 ILE N N 15 119.9 0.2 . 1 . . . . 22 ILE N . 6514 1 102 . 1 1 45 45 LEU H H 1 9.79 0.02 . 1 . . . . 23 LEU H . 6514 1 103 . 1 1 45 45 LEU HA H 1 5.57 0.02 . 1 . . . . 23 LEU HA . 6514 1 104 . 1 1 45 45 LEU HB2 H 1 1.69 0.02 . 2 . . . . 23 LEU HB2 . 6514 1 105 . 1 1 45 45 LEU HB3 H 1 1.83 0.02 . 2 . . . . 23 LEU HB3 . 6514 1 106 . 1 1 45 45 LEU HG H 1 1.64 0.02 . 1 . . . . 23 LEU HG . 6514 1 107 . 1 1 45 45 LEU HD11 H 1 0.84 0.02 . 2 . . . . 23 LEU HD1 . 6514 1 108 . 1 1 45 45 LEU HD12 H 1 0.84 0.02 . 2 . . . . 23 LEU HD1 . 6514 1 109 . 1 1 45 45 LEU HD13 H 1 0.84 0.02 . 2 . . . . 23 LEU HD1 . 6514 1 110 . 1 1 45 45 LEU HD21 H 1 0.84 0.02 . 2 . . . . 23 LEU HD2 . 6514 1 111 . 1 1 45 45 LEU HD22 H 1 0.84 0.02 . 2 . . . . 23 LEU HD2 . 6514 1 112 . 1 1 45 45 LEU HD23 H 1 0.84 0.02 . 2 . . . . 23 LEU HD2 . 6514 1 113 . 1 1 45 45 LEU C C 13 177.1 0.2 . 1 . . . . 23 LEU C . 6514 1 114 . 1 1 45 45 LEU CA C 13 54.5 0.2 . 1 . . . . 23 LEU CA . 6514 1 115 . 1 1 45 45 LEU CB C 13 45.5 0.2 . 1 . . . . 23 LEU CB . 6514 1 116 . 1 1 45 45 LEU CG C 13 28.9 0.2 . 1 . . . . 23 LEU CG . 6514 1 117 . 1 1 45 45 LEU CD1 C 13 25.2 0.2 . 1 . . . . 23 LEU CD1 . 6514 1 118 . 1 1 45 45 LEU CD2 C 13 25.2 0.2 . 1 . . . . 23 LEU CD2 . 6514 1 119 . 1 1 45 45 LEU N N 15 125.8 0.2 . 1 . . . . 23 LEU N . 6514 1 120 . 1 1 46 46 GLN H H 1 8.53 0.02 . 1 . . . . 24 GLN H . 6514 1 121 . 1 1 46 46 GLN HA H 1 4.45 0.02 . 1 . . . . 24 GLN HA . 6514 1 122 . 1 1 46 46 GLN HB2 H 1 2.22 0.02 . 2 . . . . 24 GLN HB2 . 6514 1 123 . 1 1 46 46 GLN HB3 H 1 2.33 0.02 . 2 . . . . 24 GLN HB3 . 6514 1 124 . 1 1 46 46 GLN HG2 H 1 1.79 0.02 . 2 . . . . 24 GLN HG2 . 6514 1 125 . 1 1 46 46 GLN HG3 H 1 2.13 0.02 . 2 . . . . 24 GLN HG3 . 6514 1 126 . 1 1 46 46 GLN CA C 13 56.8 0.2 . 1 . . . . 24 GLN CA . 6514 1 127 . 1 1 46 46 GLN CB C 13 32.8 0.2 . 1 . . . . 24 GLN CB . 6514 1 128 . 1 1 46 46 GLN CG C 13 34.2 0.2 . 1 . . . . 24 GLN CG . 6514 1 129 . 1 1 46 46 GLN N N 15 121.1 0.2 . 1 . . . . 24 GLN N . 6514 1 130 . 1 1 47 47 GLY HA2 H 1 3.66 0.02 . 2 . . . . 25 GLY HA2 . 6514 1 131 . 1 1 47 47 GLY HA3 H 1 3.95 0.02 . 2 . . . . 25 GLY HA3 . 6514 1 132 . 1 1 47 47 GLY CA C 13 47.1 0.2 . 1 . . . . 25 GLY CA . 6514 1 133 . 1 1 48 48 GLU HA H 1 4.26 0.02 . 1 . . . . 26 GLU HA . 6514 1 134 . 1 1 48 48 GLU HB2 H 1 1.85 0.02 . 2 . . . . 26 GLU HB2 . 6514 1 135 . 1 1 48 48 GLU HB3 H 1 2.15 0.02 . 2 . . . . 26 GLU HB3 . 6514 1 136 . 1 1 48 48 GLU HG2 H 1 2.22 0.02 . 2 . . . . 26 GLU HG2 . 6514 1 137 . 1 1 48 48 GLU HG3 H 1 2.22 0.02 . 2 . . . . 26 GLU HG3 . 6514 1 138 . 1 1 48 48 GLU C C 13 176.2 0.2 . 1 . . . . 26 GLU C . 6514 1 139 . 1 1 48 48 GLU CA C 13 56.5 0.2 . 1 . . . . 26 GLU CA . 6514 1 140 . 1 1 48 48 GLU CB C 13 29.7 0.2 . 1 . . . . 26 GLU CB . 6514 1 141 . 1 1 48 48 GLU CG C 13 36.3 0.2 . 1 . . . . 26 GLU CG . 6514 1 142 . 1 1 49 49 ARG H H 1 7.96 0.02 . 1 . . . . 27 ARG H . 6514 1 143 . 1 1 49 49 ARG HA H 1 4.08 0.02 . 1 . . . . 27 ARG HA . 6514 1 144 . 1 1 49 49 ARG HB2 H 1 0.77 0.02 . 2 . . . . 27 ARG HB2 . 6514 1 145 . 1 1 49 49 ARG HB3 H 1 1.63 0.02 . 2 . . . . 27 ARG HB3 . 6514 1 146 . 1 1 49 49 ARG HG2 H 1 1.30 0.02 . 2 . . . . 27 ARG HG2 . 6514 1 147 . 1 1 49 49 ARG HG3 H 1 1.46 0.02 . 2 . . . . 27 ARG HG3 . 6514 1 148 . 1 1 49 49 ARG HD2 H 1 3.09 0.02 . 1 . . . . 27 ARG HD2 . 6514 1 149 . 1 1 49 49 ARG HD3 H 1 3.09 0.02 . 1 . . . . 27 ARG HD3 . 6514 1 150 . 1 1 49 49 ARG C C 13 174.6 0.2 . 1 . . . . 27 ARG C . 6514 1 151 . 1 1 49 49 ARG CA C 13 55.4 0.2 . 1 . . . . 27 ARG CA . 6514 1 152 . 1 1 49 49 ARG CB C 13 31.7 0.2 . 1 . . . . 27 ARG CB . 6514 1 153 . 1 1 49 49 ARG CG C 13 27.1 0.2 . 1 . . . . 27 ARG CG . 6514 1 154 . 1 1 49 49 ARG CD C 13 42.8 0.2 . 1 . . . . 27 ARG CD . 6514 1 155 . 1 1 49 49 ARG N N 15 120.8 0.2 . 1 . . . . 27 ARG N . 6514 1 156 . 1 1 50 50 ARG H H 1 7.56 0.02 . 1 . . . . 28 ARG H . 6514 1 157 . 1 1 50 50 ARG HA H 1 5.10 0.02 . 1 . . . . 28 ARG HA . 6514 1 158 . 1 1 50 50 ARG HB2 H 1 1.55 0.02 . 2 . . . . 28 ARG HB2 . 6514 1 159 . 1 1 50 50 ARG HB3 H 1 1.55 0.02 . 2 . . . . 28 ARG HB3 . 6514 1 160 . 1 1 50 50 ARG HG2 H 1 1.28 0.02 . 2 . . . . 28 ARG HG2 . 6514 1 161 . 1 1 50 50 ARG HG3 H 1 1.39 0.02 . 2 . . . . 28 ARG HG3 . 6514 1 162 . 1 1 50 50 ARG HD2 H 1 3.01 0.02 . 2 . . . . 28 ARG HD2 . 6514 1 163 . 1 1 50 50 ARG HD3 H 1 3.01 0.02 . 2 . . . . 28 ARG HD3 . 6514 1 164 . 1 1 50 50 ARG C C 13 174.4 0.2 . 1 . . . . 28 ARG C . 6514 1 165 . 1 1 50 50 ARG CA C 13 54.3 0.2 . 1 . . . . 28 ARG CA . 6514 1 166 . 1 1 50 50 ARG CB C 13 34.0 0.2 . 1 . . . . 28 ARG CB . 6514 1 167 . 1 1 50 50 ARG CG C 13 26.5 0.2 . 1 . . . . 28 ARG CG . 6514 1 168 . 1 1 50 50 ARG CD C 13 43.5 0.2 . 1 . . . . 28 ARG CD . 6514 1 169 . 1 1 50 50 ARG N N 15 120.6 0.2 . 1 . . . . 28 ARG N . 6514 1 170 . 1 1 51 51 TRP H H 1 9.70 0.02 . 1 . . . . 29 TRP H . 6514 1 171 . 1 1 51 51 TRP HA H 1 5.01 0.02 . 1 . . . . 29 TRP HA . 6514 1 172 . 1 1 51 51 TRP HB2 H 1 3.18 0.02 . 1 . . . . 29 TRP HB2 . 6514 1 173 . 1 1 51 51 TRP HB3 H 1 3.18 0.02 . 1 . . . . 29 TRP HB3 . 6514 1 174 . 1 1 51 51 TRP HD1 H 1 7.50 0.02 . 1 . . . . 29 TRP HD1 . 6514 1 175 . 1 1 51 51 TRP HE1 H 1 9.63 0.02 . 1 . . . . 29 TRP HE1 . 6514 1 176 . 1 1 51 51 TRP HE3 H 1 7.90 0.02 . 1 . . . . 29 TRP HE3 . 6514 1 177 . 1 1 51 51 TRP HZ2 H 1 7.20 0.02 . 1 . . . . 29 TRP HZ2 . 6514 1 178 . 1 1 51 51 TRP HZ3 H 1 6.96 0.02 . 1 . . . . 29 TRP HZ3 . 6514 1 179 . 1 1 51 51 TRP HH2 H 1 6.94 0.02 . 1 . . . . 29 TRP HH2 . 6514 1 180 . 1 1 51 51 TRP C C 13 175.2 0.2 . 1 . . . . 29 TRP C . 6514 1 181 . 1 1 51 51 TRP CA C 13 58.1 0.2 . 1 . . . . 29 TRP CA . 6514 1 182 . 1 1 51 51 TRP CB C 13 32.6 0.2 . 1 . . . . 29 TRP CB . 6514 1 183 . 1 1 51 51 TRP CD1 C 13 127.1 0.2 . 1 . . . . 29 TRP CD1 . 6514 1 184 . 1 1 51 51 TRP CE3 C 13 122.4 0.2 . 1 . . . . 29 TRP CE3 . 6514 1 185 . 1 1 51 51 TRP CZ2 C 13 113.9 0.2 . 1 . . . . 29 TRP CZ2 . 6514 1 186 . 1 1 51 51 TRP CZ3 C 13 120.8 0.2 . 1 . . . . 29 TRP CZ3 . 6514 1 187 . 1 1 51 51 TRP CH2 C 13 124.0 0.2 . 1 . . . . 29 TRP CH2 . 6514 1 188 . 1 1 51 51 TRP N N 15 123.2 0.2 . 1 . . . . 29 TRP N . 6514 1 189 . 1 1 51 51 TRP NE1 N 15 128.0 0.2 . 1 . . . . 29 TRP NE1 . 6514 1 190 . 1 1 52 52 GLU H H 1 8.91 0.02 . 1 . . . . 30 GLU H . 6514 1 191 . 1 1 52 52 GLU HA H 1 4.73 0.02 . 1 . . . . 30 GLU HA . 6514 1 192 . 1 1 52 52 GLU HB2 H 1 2.11 0.02 . 2 . . . . 30 GLU HB2 . 6514 1 193 . 1 1 52 52 GLU HB3 H 1 2.11 0.02 . 2 . . . . 30 GLU HB3 . 6514 1 194 . 1 1 52 52 GLU HG2 H 1 2.31 0.02 . 2 . . . . 30 GLU HG2 . 6514 1 195 . 1 1 52 52 GLU HG3 H 1 2.46 0.02 . 2 . . . . 30 GLU HG3 . 6514 1 196 . 1 1 52 52 GLU C C 13 176.9 0.2 . 1 . . . . 30 GLU C . 6514 1 197 . 1 1 52 52 GLU CA C 13 57.0 0.2 . 1 . . . . 30 GLU CA . 6514 1 198 . 1 1 52 52 GLU CB C 13 30.2 0.2 . 1 . . . . 30 GLU CB . 6514 1 199 . 1 1 52 52 GLU CG C 13 36.5 0.2 . 1 . . . . 30 GLU CG . 6514 1 200 . 1 1 52 52 GLU N N 15 125.3 0.2 . 1 . . . . 30 GLU N . 6514 1 201 . 1 1 53 53 VAL H H 1 8.02 0.02 . 1 . . . . 31 VAL H . 6514 1 202 . 1 1 53 53 VAL HA H 1 5.07 0.02 . 1 . . . . 31 VAL HA . 6514 1 203 . 1 1 53 53 VAL HB H 1 2.15 0.02 . 1 . . . . 31 VAL HB . 6514 1 204 . 1 1 53 53 VAL HG11 H 1 0.52 0.02 . 1 . . . . 31 VAL HG1 . 6514 1 205 . 1 1 53 53 VAL HG12 H 1 0.52 0.02 . 1 . . . . 31 VAL HG1 . 6514 1 206 . 1 1 53 53 VAL HG13 H 1 0.52 0.02 . 1 . . . . 31 VAL HG1 . 6514 1 207 . 1 1 53 53 VAL HG21 H 1 0.81 0.02 . 1 . . . . 31 VAL HG2 . 6514 1 208 . 1 1 53 53 VAL HG22 H 1 0.81 0.02 . 1 . . . . 31 VAL HG2 . 6514 1 209 . 1 1 53 53 VAL HG23 H 1 0.81 0.02 . 1 . . . . 31 VAL HG2 . 6514 1 210 . 1 1 53 53 VAL C C 13 173.9 0.2 . 1 . . . . 31 VAL C . 6514 1 211 . 1 1 53 53 VAL CA C 13 58.4 0.2 . 1 . . . . 31 VAL CA . 6514 1 212 . 1 1 53 53 VAL CB C 13 36.8 0.2 . 1 . . . . 31 VAL CB . 6514 1 213 . 1 1 53 53 VAL CG1 C 13 17.9 0.2 . 1 . . . . 31 VAL CG1 . 6514 1 214 . 1 1 53 53 VAL CG2 C 13 21.9 0.2 . 1 . . . . 31 VAL CG2 . 6514 1 215 . 1 1 53 53 VAL N N 15 114.4 0.2 . 1 . . . . 31 VAL N . 6514 1 216 . 1 1 54 54 LEU H H 1 8.79 0.02 . 1 . . . . 32 LEU H . 6514 1 217 . 1 1 54 54 LEU HA H 1 4.57 0.02 . 1 . . . . 32 LEU HA . 6514 1 218 . 1 1 54 54 LEU HB2 H 1 1.48 0.02 . 2 . . . . 32 LEU HB2 . 6514 1 219 . 1 1 54 54 LEU HB3 H 1 1.57 0.02 . 2 . . . . 32 LEU HB3 . 6514 1 220 . 1 1 54 54 LEU HG H 1 1.26 0.02 . 1 . . . . 32 LEU HG . 6514 1 221 . 1 1 54 54 LEU HD11 H 1 0.87 0.02 . 1 . . . . 32 LEU HD1 . 6514 1 222 . 1 1 54 54 LEU HD12 H 1 0.87 0.02 . 1 . . . . 32 LEU HD1 . 6514 1 223 . 1 1 54 54 LEU HD13 H 1 0.87 0.02 . 1 . . . . 32 LEU HD1 . 6514 1 224 . 1 1 54 54 LEU HD21 H 1 0.73 0.02 . 1 . . . . 32 LEU HD2 . 6514 1 225 . 1 1 54 54 LEU HD22 H 1 0.73 0.02 . 1 . . . . 32 LEU HD2 . 6514 1 226 . 1 1 54 54 LEU HD23 H 1 0.73 0.02 . 1 . . . . 32 LEU HD2 . 6514 1 227 . 1 1 54 54 LEU C C 13 176.2 0.2 . 1 . . . . 32 LEU C . 6514 1 228 . 1 1 54 54 LEU CA C 13 53.4 0.2 . 1 . . . . 32 LEU CA . 6514 1 229 . 1 1 54 54 LEU CB C 13 43.0 0.2 . 1 . . . . 32 LEU CB . 6514 1 230 . 1 1 54 54 LEU CG C 13 27.0 0.2 . 1 . . . . 32 LEU CG . 6514 1 231 . 1 1 54 54 LEU CD1 C 13 23.9 0.2 . 1 . . . . 32 LEU CD1 . 6514 1 232 . 1 1 54 54 LEU CD2 C 13 24.8 0.2 . 1 . . . . 32 LEU CD2 . 6514 1 233 . 1 1 54 54 LEU N N 15 123.1 0.2 . 1 . . . . 32 LEU N . 6514 1 234 . 1 1 55 55 LEU H H 1 8.73 0.02 . 1 . . . . 33 LEU H . 6514 1 235 . 1 1 55 55 LEU HA H 1 4.25 0.02 . 1 . . . . 33 LEU HA . 6514 1 236 . 1 1 55 55 LEU HB2 H 1 1.46 0.02 . 1 . . . . 33 LEU HB2 . 6514 1 237 . 1 1 55 55 LEU HB3 H 1 1.84 0.02 . 1 . . . . 33 LEU HB3 . 6514 1 238 . 1 1 55 55 LEU HG H 1 1.30 0.02 . 1 . . . . 33 LEU HG . 6514 1 239 . 1 1 55 55 LEU HD11 H 1 0.80 0.02 . 1 . . . . 33 LEU HD1 . 6514 1 240 . 1 1 55 55 LEU HD12 H 1 0.80 0.02 . 1 . . . . 33 LEU HD1 . 6514 1 241 . 1 1 55 55 LEU HD13 H 1 0.80 0.02 . 1 . . . . 33 LEU HD1 . 6514 1 242 . 1 1 55 55 LEU HD21 H 1 0.57 0.02 . 1 . . . . 33 LEU HD2 . 6514 1 243 . 1 1 55 55 LEU HD22 H 1 0.57 0.02 . 1 . . . . 33 LEU HD2 . 6514 1 244 . 1 1 55 55 LEU HD23 H 1 0.57 0.02 . 1 . . . . 33 LEU HD2 . 6514 1 245 . 1 1 55 55 LEU C C 13 176.0 0.2 . 1 . . . . 33 LEU C . 6514 1 246 . 1 1 55 55 LEU CA C 13 56.0 0.2 . 1 . . . . 33 LEU CA . 6514 1 247 . 1 1 55 55 LEU CB C 13 43.1 0.2 . 1 . . . . 33 LEU CB . 6514 1 248 . 1 1 55 55 LEU CG C 13 26.9 0.2 . 1 . . . . 33 LEU CG . 6514 1 249 . 1 1 55 55 LEU CD1 C 13 24.8 0.2 . 1 . . . . 33 LEU CD1 . 6514 1 250 . 1 1 55 55 LEU CD2 C 13 26.5 0.2 . 1 . . . . 33 LEU CD2 . 6514 1 251 . 1 1 55 55 LEU N N 15 128.6 0.2 . 1 . . . . 33 LEU N . 6514 1 252 . 1 1 56 56 HIS H H 1 9.01 0.02 . 1 . . . . 34 HIS H . 6514 1 253 . 1 1 56 56 HIS HA H 1 4.47 0.02 . 1 . . . . 34 HIS HA . 6514 1 254 . 1 1 56 56 HIS HB2 H 1 2.73 0.02 . 2 . . . . 34 HIS HB2 . 6514 1 255 . 1 1 56 56 HIS HB3 H 1 3.10 0.02 . 2 . . . . 34 HIS HB3 . 6514 1 256 . 1 1 56 56 HIS HD2 H 1 6.86 0.02 . 1 . . . . 34 HIS HD2 . 6514 1 257 . 1 1 56 56 HIS HE1 H 1 7.27 0.02 . 1 . . . . 34 HIS HE1 . 6514 1 258 . 1 1 56 56 HIS C C 13 174.0 0.2 . 1 . . . . 34 HIS C . 6514 1 259 . 1 1 56 56 HIS CA C 13 59.0 0.2 . 1 . . . . 34 HIS CA . 6514 1 260 . 1 1 56 56 HIS CB C 13 33.1 0.2 . 1 . . . . 34 HIS CB . 6514 1 261 . 1 1 56 56 HIS CD2 C 13 115.5 0.2 . 1 . . . . 34 HIS CD2 . 6514 1 262 . 1 1 56 56 HIS CE1 C 13 137.6 0.2 . 1 . . . . 34 HIS CE1 . 6514 1 263 . 1 1 56 56 HIS N N 15 125.7 0.2 . 1 . . . . 34 HIS N . 6514 1 264 . 1 1 57 57 ASP H H 1 8.09 0.02 . 1 . . . . 35 ASP H . 6514 1 265 . 1 1 57 57 ASP HA H 1 5.15 0.02 . 1 . . . . 35 ASP HA . 6514 1 266 . 1 1 57 57 ASP HB2 H 1 2.37 0.02 . 2 . . . . 35 ASP HB2 . 6514 1 267 . 1 1 57 57 ASP HB3 H 1 3.61 0.02 . 2 . . . . 35 ASP HB3 . 6514 1 268 . 1 1 57 57 ASP C C 13 173.5 0.2 . 1 . . . . 35 ASP C . 6514 1 269 . 1 1 57 57 ASP CA C 13 53.0 0.2 . 1 . . . . 35 ASP CA . 6514 1 270 . 1 1 57 57 ASP CB C 13 43.7 0.2 . 1 . . . . 35 ASP CB . 6514 1 271 . 1 1 57 57 ASP N N 15 115.0 0.2 . 1 . . . . 35 ASP N . 6514 1 272 . 1 1 58 58 VAL H H 1 8.98 0.02 . 1 . . . . 36 VAL H . 6514 1 273 . 1 1 58 58 VAL HA H 1 4.80 0.02 . 1 . . . . 36 VAL HA . 6514 1 274 . 1 1 58 58 VAL HB H 1 2.07 0.02 . 1 . . . . 36 VAL HB . 6514 1 275 . 1 1 58 58 VAL HG11 H 1 0.76 0.02 . 1 . . . . 36 VAL HG1 . 6514 1 276 . 1 1 58 58 VAL HG12 H 1 0.76 0.02 . 1 . . . . 36 VAL HG1 . 6514 1 277 . 1 1 58 58 VAL HG13 H 1 0.76 0.02 . 1 . . . . 36 VAL HG1 . 6514 1 278 . 1 1 58 58 VAL HG21 H 1 1.04 0.02 . 1 . . . . 36 VAL HG2 . 6514 1 279 . 1 1 58 58 VAL HG22 H 1 1.04 0.02 . 1 . . . . 36 VAL HG2 . 6514 1 280 . 1 1 58 58 VAL HG23 H 1 1.04 0.02 . 1 . . . . 36 VAL HG2 . 6514 1 281 . 1 1 58 58 VAL C C 13 169.8 0.2 . 1 . . . . 36 VAL C . 6514 1 282 . 1 1 58 58 VAL CA C 13 60.4 0.2 . 1 . . . . 36 VAL CA . 6514 1 283 . 1 1 58 58 VAL CB C 13 35.5 0.2 . 1 . . . . 36 VAL CB . 6514 1 284 . 1 1 58 58 VAL CG1 C 13 19.4 0.2 . 1 . . . . 36 VAL CG1 . 6514 1 285 . 1 1 58 58 VAL CG2 C 13 22.5 0.2 . 1 . . . . 36 VAL CG2 . 6514 1 286 . 1 1 58 58 VAL N N 15 121.4 0.2 . 1 . . . . 36 VAL N . 6514 1 287 . 1 1 59 59 SER H H 1 8.69 0.02 . 1 . . . . 37 SER H . 6514 1 288 . 1 1 59 59 SER HA H 1 4.53 0.02 . 1 . . . . 37 SER HA . 6514 1 289 . 1 1 59 59 SER HB2 H 1 3.89 0.02 . 2 . . . . 37 SER HB2 . 6514 1 290 . 1 1 59 59 SER HB3 H 1 4.47 0.02 . 2 . . . . 37 SER HB3 . 6514 1 291 . 1 1 59 59 SER C C 13 171.7 0.2 . 1 . . . . 37 SER C . 6514 1 292 . 1 1 59 59 SER CA C 13 56.3 0.2 . 1 . . . . 37 SER CA . 6514 1 293 . 1 1 59 59 SER CB C 13 66.4 0.2 . 1 . . . . 37 SER CB . 6514 1 294 . 1 1 59 59 SER N N 15 118.3 0.2 . 1 . . . . 37 SER N . 6514 1 295 . 1 1 60 60 LEU H H 1 8.69 0.02 . 1 . . . . 38 LEU H . 6514 1 296 . 1 1 60 60 LEU HA H 1 3.93 0.02 . 1 . . . . 38 LEU HA . 6514 1 297 . 1 1 60 60 LEU HB2 H 1 1.04 0.02 . 2 . . . . 38 LEU HB2 . 6514 1 298 . 1 1 60 60 LEU HB3 H 1 1.10 0.02 . 2 . . . . 38 LEU HB3 . 6514 1 299 . 1 1 60 60 LEU HG H 1 1.62 0.02 . 1 . . . . 38 LEU HG . 6514 1 300 . 1 1 60 60 LEU HD11 H 1 0.73 0.02 . 1 . . . . 38 LEU HD1 . 6514 1 301 . 1 1 60 60 LEU HD12 H 1 0.73 0.02 . 1 . . . . 38 LEU HD1 . 6514 1 302 . 1 1 60 60 LEU HD13 H 1 0.73 0.02 . 1 . . . . 38 LEU HD1 . 6514 1 303 . 1 1 60 60 LEU HD21 H 1 0.78 0.02 . 1 . . . . 38 LEU HD2 . 6514 1 304 . 1 1 60 60 LEU HD22 H 1 0.78 0.02 . 1 . . . . 38 LEU HD2 . 6514 1 305 . 1 1 60 60 LEU HD23 H 1 0.78 0.02 . 1 . . . . 38 LEU HD2 . 6514 1 306 . 1 1 60 60 LEU C C 13 176.0 0.2 . 1 . . . . 38 LEU C . 6514 1 307 . 1 1 60 60 LEU CA C 13 56.7 0.2 . 1 . . . . 38 LEU CA . 6514 1 308 . 1 1 60 60 LEU CB C 13 40.7 0.2 . 1 . . . . 38 LEU CB . 6514 1 309 . 1 1 60 60 LEU CG C 13 27.4 0.2 . 1 . . . . 38 LEU CG . 6514 1 310 . 1 1 60 60 LEU CD1 C 13 25.4 0.2 . 1 . . . . 38 LEU CD1 . 6514 1 311 . 1 1 60 60 LEU CD2 C 13 23.9 0.2 . 1 . . . . 38 LEU CD2 . 6514 1 312 . 1 1 60 60 LEU N N 15 112.7 0.2 . 1 . . . . 38 LEU N . 6514 1 313 . 1 1 61 61 HIS H H 1 8.01 0.02 . 1 . . . . 39 HIS H . 6514 1 314 . 1 1 61 61 HIS HA H 1 4.73 0.02 . 1 . . . . 39 HIS HA . 6514 1 315 . 1 1 61 61 HIS HB2 H 1 2.90 0.02 . 2 . . . . 39 HIS HB2 . 6514 1 316 . 1 1 61 61 HIS HB3 H 1 3.42 0.02 . 2 . . . . 39 HIS HB3 . 6514 1 317 . 1 1 61 61 HIS HD2 H 1 6.61 0.02 . 1 . . . . 39 HIS HD2 . 6514 1 318 . 1 1 61 61 HIS HE1 H 1 5.90 0.02 . 1 . . . . 39 HIS HE1 . 6514 1 319 . 1 1 61 61 HIS C C 13 177.5 0.2 . 1 . . . . 39 HIS C . 6514 1 320 . 1 1 61 61 HIS CA C 13 55.8 0.2 . 1 . . . . 39 HIS CA . 6514 1 321 . 1 1 61 61 HIS CB C 13 32.2 0.2 . 1 . . . . 39 HIS CB . 6514 1 322 . 1 1 61 61 HIS CD2 C 13 119.8 0.2 . 1 . . . . 39 HIS CD2 . 6514 1 323 . 1 1 61 61 HIS CE1 C 13 138.6 0.2 . 1 . . . . 39 HIS CE1 . 6514 1 324 . 1 1 61 61 HIS N N 15 111.0 0.2 . 1 . . . . 39 HIS N . 6514 1 325 . 1 1 62 62 GLY H H 1 7.71 0.02 . 1 . . . . 40 GLY H . 6514 1 326 . 1 1 62 62 GLY HA2 H 1 4.03 0.02 . 2 . . . . 40 GLY HA2 . 6514 1 327 . 1 1 62 62 GLY HA3 H 1 4.34 0.02 . 2 . . . . 40 GLY HA3 . 6514 1 328 . 1 1 62 62 GLY C C 13 168.1 0.2 . 1 . . . . 40 GLY C . 6514 1 329 . 1 1 62 62 GLY CA C 13 46.4 0.2 . 1 . . . . 40 GLY CA . 6514 1 330 . 1 1 62 62 GLY N N 15 111.4 0.2 . 1 . . . . 40 GLY N . 6514 1 331 . 1 1 63 63 ILE H H 1 8.48 0.02 . 1 . . . . 41 ILE H . 6514 1 332 . 1 1 63 63 ILE HA H 1 4.66 0.02 . 1 . . . . 41 ILE HA . 6514 1 333 . 1 1 63 63 ILE HB H 1 1.73 0.02 . 1 . . . . 41 ILE HB . 6514 1 334 . 1 1 63 63 ILE HG12 H 1 0.81 0.02 . 2 . . . . 41 ILE HG12 . 6514 1 335 . 1 1 63 63 ILE HG13 H 1 1.64 0.02 . 2 . . . . 41 ILE HG13 . 6514 1 336 . 1 1 63 63 ILE HG21 H 1 0.71 0.02 . 1 . . . . 41 ILE HG2 . 6514 1 337 . 1 1 63 63 ILE HG22 H 1 0.71 0.02 . 1 . . . . 41 ILE HG2 . 6514 1 338 . 1 1 63 63 ILE HG23 H 1 0.71 0.02 . 1 . . . . 41 ILE HG2 . 6514 1 339 . 1 1 63 63 ILE HD11 H 1 0.54 0.02 . 1 . . . . 41 ILE HD1 . 6514 1 340 . 1 1 63 63 ILE HD12 H 1 0.54 0.02 . 1 . . . . 41 ILE HD1 . 6514 1 341 . 1 1 63 63 ILE HD13 H 1 0.54 0.02 . 1 . . . . 41 ILE HD1 . 6514 1 342 . 1 1 63 63 ILE C C 13 170.4 0.2 . 1 . . . . 41 ILE C . 6514 1 343 . 1 1 63 63 ILE CA C 13 60.8 0.2 . 1 . . . . 41 ILE CA . 6514 1 344 . 1 1 63 63 ILE CB C 13 41.8 0.2 . 1 . . . . 41 ILE CB . 6514 1 345 . 1 1 63 63 ILE CG1 C 13 27.8 0.2 . 1 . . . . 41 ILE CG1 . 6514 1 346 . 1 1 63 63 ILE CG2 C 13 16.8 0.2 . 1 . . . . 41 ILE CG2 . 6514 1 347 . 1 1 63 63 ILE CD1 C 13 14.2 0.2 . 1 . . . . 41 ILE CD1 . 6514 1 348 . 1 1 63 63 ILE N N 15 113.1 0.2 . 1 . . . . 41 ILE N . 6514 1 349 . 1 1 64 64 LEU H H 1 8.45 0.02 . 1 . . . . 42 LEU H . 6514 1 350 . 1 1 64 64 LEU HA H 1 5.25 0.02 . 1 . . . . 42 LEU HA . 6514 1 351 . 1 1 64 64 LEU HB2 H 1 1.79 0.02 . 2 . . . . 42 LEU HB2 . 6514 1 352 . 1 1 64 64 LEU HB3 H 1 1.05 0.02 . 2 . . . . 42 LEU HB3 . 6514 1 353 . 1 1 64 64 LEU HG H 1 1.15 0.02 . 1 . . . . 42 LEU HG . 6514 1 354 . 1 1 64 64 LEU HD11 H 1 0.86 0.02 . 1 . . . . 42 LEU HD1 . 6514 1 355 . 1 1 64 64 LEU HD12 H 1 0.86 0.02 . 1 . . . . 42 LEU HD1 . 6514 1 356 . 1 1 64 64 LEU HD13 H 1 0.86 0.02 . 1 . . . . 42 LEU HD1 . 6514 1 357 . 1 1 64 64 LEU HD21 H 1 0.64 0.02 . 1 . . . . 42 LEU HD2 . 6514 1 358 . 1 1 64 64 LEU HD22 H 1 0.64 0.02 . 1 . . . . 42 LEU HD2 . 6514 1 359 . 1 1 64 64 LEU HD23 H 1 0.64 0.02 . 1 . . . . 42 LEU HD2 . 6514 1 360 . 1 1 64 64 LEU C C 13 175.8 0.2 . 1 . . . . 42 LEU C . 6514 1 361 . 1 1 64 64 LEU CA C 13 53.4 0.2 . 1 . . . . 42 LEU CA . 6514 1 362 . 1 1 64 64 LEU CB C 13 46.3 0.2 . 1 . . . . 42 LEU CB . 6514 1 363 . 1 1 64 64 LEU CG C 13 27.5 0.2 . 1 . . . . 42 LEU CG . 6514 1 364 . 1 1 64 64 LEU CD1 C 13 25.3 0.2 . 1 . . . . 42 LEU CD1 . 6514 1 365 . 1 1 64 64 LEU CD2 C 13 25.4 0.2 . 1 . . . . 42 LEU CD2 . 6514 1 366 . 1 1 64 64 LEU N N 15 128.5 0.2 . 1 . . . . 42 LEU N . 6514 1 367 . 1 1 65 65 VAL H H 1 8.65 0.02 . 1 . . . . 43 VAL H . 6514 1 368 . 1 1 65 65 VAL HA H 1 5.46 0.02 . 1 . . . . 43 VAL HA . 6514 1 369 . 1 1 65 65 VAL HB H 1 2.13 0.02 . 1 . . . . 43 VAL HB . 6514 1 370 . 1 1 65 65 VAL HG11 H 1 0.79 0.02 . 1 . . . . 43 VAL HG1 . 6514 1 371 . 1 1 65 65 VAL HG12 H 1 0.79 0.02 . 1 . . . . 43 VAL HG1 . 6514 1 372 . 1 1 65 65 VAL HG13 H 1 0.79 0.02 . 1 . . . . 43 VAL HG1 . 6514 1 373 . 1 1 65 65 VAL HG21 H 1 0.67 0.02 . 1 . . . . 43 VAL HG2 . 6514 1 374 . 1 1 65 65 VAL HG22 H 1 0.67 0.02 . 1 . . . . 43 VAL HG2 . 6514 1 375 . 1 1 65 65 VAL HG23 H 1 0.67 0.02 . 1 . . . . 43 VAL HG2 . 6514 1 376 . 1 1 65 65 VAL C C 13 174.5 0.2 . 1 . . . . 43 VAL C . 6514 1 377 . 1 1 65 65 VAL CA C 13 57.5 0.2 . 1 . . . . 43 VAL CA . 6514 1 378 . 1 1 65 65 VAL CB C 13 35.9 0.2 . 1 . . . . 43 VAL CB . 6514 1 379 . 1 1 65 65 VAL CG1 C 13 21.6 0.2 . 1 . . . . 43 VAL CG1 . 6514 1 380 . 1 1 65 65 VAL CG2 C 13 19.7 0.2 . 1 . . . . 43 VAL CG2 . 6514 1 381 . 1 1 65 65 VAL N N 15 117.5 0.2 . 1 . . . . 43 VAL N . 6514 1 382 . 1 1 66 66 GLY H H 1 8.96 0.02 . 1 . . . . 44 GLY H . 6514 1 383 . 1 1 66 66 GLY HA2 H 1 3.78 0.02 . 2 . . . . 44 GLY HA2 . 6514 1 384 . 1 1 66 66 GLY HA3 H 1 4.27 0.02 . 2 . . . . 44 GLY HA3 . 6514 1 385 . 1 1 66 66 GLY C C 13 174.3 0.2 . 1 . . . . 44 GLY C . 6514 1 386 . 1 1 66 66 GLY CA C 13 44.9 0.2 . 1 . . . . 44 GLY CA . 6514 1 387 . 1 1 66 66 GLY N N 15 106.9 0.2 . 1 . . . . 44 GLY N . 6514 1 388 . 1 1 67 67 GLN H H 1 8.61 0.02 . 1 . . . . 45 GLN H . 6514 1 389 . 1 1 67 67 GLN HA H 1 3.73 0.02 . 1 . . . . 45 GLN HA . 6514 1 390 . 1 1 67 67 GLN HB2 H 1 1.31 0.02 . 2 . . . . 45 GLN HB2 . 6514 1 391 . 1 1 67 67 GLN HB3 H 1 1.64 0.02 . 2 . . . . 45 GLN HB3 . 6514 1 392 . 1 1 67 67 GLN HG2 H 1 2.32 0.02 . 2 . . . . 45 GLN HG2 . 6514 1 393 . 1 1 67 67 GLN HG3 H 1 2.32 0.02 . 2 . . . . 45 GLN HG3 . 6514 1 394 . 1 1 67 67 GLN HE21 H 1 7.70 0.02 . 1 . . . . 45 GLN HE21 . 6514 1 395 . 1 1 67 67 GLN HE22 H 1 6.87 0.02 . 1 . . . . 45 GLN HE22 . 6514 1 396 . 1 1 67 67 GLN CA C 13 54.0 0.2 . 1 . . . . 45 GLN CA . 6514 1 397 . 1 1 67 67 GLN CB C 13 29.2 0.2 . 1 . . . . 45 GLN CB . 6514 1 398 . 1 1 67 67 GLN CG C 13 33.2 0.2 . 1 . . . . 45 GLN CG . 6514 1 399 . 1 1 67 67 GLN N N 15 126.8 0.2 . 1 . . . . 45 GLN N . 6514 1 400 . 1 1 67 67 GLN NE2 N 15 112.6 0.2 . 1 . . . . 45 GLN NE2 . 6514 1 401 . 1 1 68 68 PRO HD2 H 1 3.05 0.02 . 2 . . . . 46 PRO HD2 . 6514 1 402 . 1 1 68 68 PRO HD3 H 1 3.75 0.02 . 2 . . . . 46 PRO HD3 . 6514 1 403 . 1 1 68 68 PRO CD C 13 50.2 0.2 . 1 . . . . 46 PRO CD . 6514 1 404 . 1 1 69 69 GLN HA H 1 4.14 0.02 . 1 . . . . 47 GLN HA . 6514 1 405 . 1 1 69 69 GLN HB2 H 1 2.15 0.02 . 2 . . . . 47 GLN HB2 . 6514 1 406 . 1 1 69 69 GLN HB3 H 1 2.15 0.02 . 2 . . . . 47 GLN HB3 . 6514 1 407 . 1 1 69 69 GLN HG2 H 1 2.49 0.02 . 2 . . . . 47 GLN HG2 . 6514 1 408 . 1 1 69 69 GLN HG3 H 1 2.49 0.02 . 2 . . . . 47 GLN HG3 . 6514 1 409 . 1 1 69 69 GLN C C 13 176.2 0.2 . 1 . . . . 47 GLN C . 6514 1 410 . 1 1 69 69 GLN CA C 13 57.9 0.2 . 1 . . . . 47 GLN CA . 6514 1 411 . 1 1 69 69 GLN CB C 13 28.7 0.2 . 1 . . . . 47 GLN CB . 6514 1 412 . 1 1 69 69 GLN CG C 13 33.7 0.2 . 1 . . . . 47 GLN CG . 6514 1 413 . 1 1 70 70 ASP H H 1 8.96 0.02 . 1 . . . . 48 ASP H . 6514 1 414 . 1 1 70 70 ASP HA H 1 4.61 0.02 . 1 . . . . 48 ASP HA . 6514 1 415 . 1 1 70 70 ASP HB2 H 1 2.85 0.02 . 2 . . . . 48 ASP HB2 . 6514 1 416 . 1 1 70 70 ASP HB3 H 1 2.85 0.02 . 2 . . . . 48 ASP HB3 . 6514 1 417 . 1 1 70 70 ASP C C 13 176.3 0.2 . 1 . . . . 48 ASP C . 6514 1 418 . 1 1 70 70 ASP CA C 13 53.5 0.2 . 1 . . . . 48 ASP CA . 6514 1 419 . 1 1 70 70 ASP CB C 13 39.4 0.2 . 1 . . . . 48 ASP CB . 6514 1 420 . 1 1 70 70 ASP N N 15 118.1 0.2 . 1 . . . . 48 ASP N . 6514 1 421 . 1 1 71 71 TRP H H 1 7.66 0.02 . 1 . . . . 49 TRP H . 6514 1 422 . 1 1 71 71 TRP HA H 1 4.27 0.02 . 1 . . . . 49 TRP HA . 6514 1 423 . 1 1 71 71 TRP HB2 H 1 3.07 0.02 . 2 . . . . 49 TRP HB2 . 6514 1 424 . 1 1 71 71 TRP HB3 H 1 3.10 0.02 . 2 . . . . 49 TRP HB3 . 6514 1 425 . 1 1 71 71 TRP HD1 H 1 6.98 0.02 . 1 . . . . 49 TRP HD1 . 6514 1 426 . 1 1 71 71 TRP HE1 H 1 10.13 0.02 . 1 . . . . 49 TRP HE1 . 6514 1 427 . 1 1 71 71 TRP HE3 H 1 5.94 0.02 . 1 . . . . 49 TRP HE3 . 6514 1 428 . 1 1 71 71 TRP HZ2 H 1 6.77 0.02 . 1 . . . . 49 TRP HZ2 . 6514 1 429 . 1 1 71 71 TRP HZ3 H 1 5.46 0.02 . 1 . . . . 49 TRP HZ3 . 6514 1 430 . 1 1 71 71 TRP HH2 H 1 6.35 0.02 . 1 . . . . 49 TRP HH2 . 6514 1 431 . 1 1 71 71 TRP CA C 13 57.5 0.2 . 1 . . . . 49 TRP CA . 6514 1 432 . 1 1 71 71 TRP CB C 13 30.3 0.2 . 1 . . . . 49 TRP CB . 6514 1 433 . 1 1 71 71 TRP CD1 C 13 128.0 0.2 . 1 . . . . 49 TRP CD1 . 6514 1 434 . 1 1 71 71 TRP CE3 C 13 119.1 0.2 . 1 . . . . 49 TRP CE3 . 6514 1 435 . 1 1 71 71 TRP CZ2 C 13 113.3 0.2 . 1 . . . . 49 TRP CZ2 . 6514 1 436 . 1 1 71 71 TRP CZ3 C 13 121.0 0.2 . 1 . . . . 49 TRP CZ3 . 6514 1 437 . 1 1 71 71 TRP CH2 C 13 124.5 0.2 . 1 . . . . 49 TRP CH2 . 6514 1 438 . 1 1 71 71 TRP N N 15 118.9 0.2 . 1 . . . . 49 TRP N . 6514 1 439 . 1 1 71 71 TRP NE1 N 15 130.4 0.2 . 1 . . . . 49 TRP NE1 . 6514 1 440 . 1 1 72 72 ASN H H 1 5.62 0.02 . 1 . . . . 50 ASN H . 6514 1 441 . 1 1 72 72 ASN HB2 H 1 2.50 0.02 . 2 . . . . 50 ASN HB2 . 6514 1 442 . 1 1 72 72 ASN HB3 H 1 2.74 0.02 . 2 . . . . 50 ASN HB3 . 6514 1 443 . 1 1 72 72 ASN HD21 H 1 7.70 0.02 . 2 . . . . 50 ASN HD21 . 6514 1 444 . 1 1 72 72 ASN HD22 H 1 6.92 0.02 . 2 . . . . 50 ASN HD22 . 6514 1 445 . 1 1 72 72 ASN C C 13 178.6 0.2 . 1 . . . . 50 ASN C . 6514 1 446 . 1 1 72 72 ASN N N 15 118.1 0.2 . 1 . . . . 50 ASN N . 6514 1 447 . 1 1 72 72 ASN ND2 N 15 112.8 0.2 . 1 . . . . 50 ASN ND2 . 6514 1 448 . 1 1 73 73 GLY H H 1 6.64 0.02 . 1 . . . . 51 GLY H . 6514 1 449 . 1 1 73 73 GLY HA2 H 1 2.40 0.02 . 2 . . . . 51 GLY HA2 . 6514 1 450 . 1 1 73 73 GLY HA3 H 1 3.63 0.02 . 2 . . . . 51 GLY HA3 . 6514 1 451 . 1 1 73 73 GLY C C 13 170.9 0.2 . 1 . . . . 51 GLY C . 6514 1 452 . 1 1 73 73 GLY CA C 13 45.91 0.2 . 1 . . . . 51 GLY CA . 6514 1 453 . 1 1 73 73 GLY N N 15 118.0 0.2 . 1 . . . . 51 GLY N . 6514 1 454 . 1 1 74 74 ASP H H 1 9.41 0.02 . 1 . . . . 52 ASP H . 6514 1 455 . 1 1 74 74 ASP HA H 1 4.96 0.02 . 1 . . . . 52 ASP HA . 6514 1 456 . 1 1 74 74 ASP HB2 H 1 2.52 0.02 . 2 . . . . 52 ASP HB2 . 6514 1 457 . 1 1 74 74 ASP HB3 H 1 2.76 0.02 . 2 . . . . 52 ASP HB3 . 6514 1 458 . 1 1 74 74 ASP CA C 13 50.5 0.2 . 1 . . . . 52 ASP CA . 6514 1 459 . 1 1 74 74 ASP CB C 13 41.5 0.2 . 1 . . . . 52 ASP CB . 6514 1 460 . 1 1 74 74 ASP N N 15 123.6 0.2 . 1 . . . . 52 ASP N . 6514 1 461 . 1 1 75 75 PRO HA H 1 4.58 0.02 . 1 . . . . 53 PRO HA . 6514 1 462 . 1 1 75 75 PRO HB2 H 1 2.13 0.02 . 2 . . . . 53 PRO HB2 . 6514 1 463 . 1 1 75 75 PRO HB3 H 1 2.41 0.02 . 2 . . . . 53 PRO HB3 . 6514 1 464 . 1 1 75 75 PRO HG2 H 1 1.99 0.02 . 2 . . . . 53 PRO HG2 . 6514 1 465 . 1 1 75 75 PRO HG3 H 1 2.06 0.02 . 2 . . . . 53 PRO HG3 . 6514 1 466 . 1 1 75 75 PRO HD2 H 1 3.96 0.02 . 2 . . . . 53 PRO HD2 . 6514 1 467 . 1 1 75 75 PRO HD3 H 1 4.29 0.02 . 2 . . . . 53 PRO HD3 . 6514 1 468 . 1 1 75 75 PRO C C 13 177.8 0.2 . 1 . . . . 53 PRO C . 6514 1 469 . 1 1 75 75 PRO CA C 13 64.0 0.2 . 1 . . . . 53 PRO CA . 6514 1 470 . 1 1 75 75 PRO CB C 13 32.9 0.2 . 1 . . . . 53 PRO CB . 6514 1 471 . 1 1 75 75 PRO CG C 13 27.1 0.2 . 1 . . . . 53 PRO CG . 6514 1 472 . 1 1 75 75 PRO CD C 13 51.1 0.2 . 1 . . . . 53 PRO CD . 6514 1 473 . 1 1 76 76 GLN H H 1 8.51 0.02 . 1 . . . . 54 GLN H . 6514 1 474 . 1 1 76 76 GLN HA H 1 4.39 0.02 . 1 . . . . 54 GLN HA . 6514 1 475 . 1 1 76 76 GLN HB2 H 1 2.08 0.02 . 1 . . . . 54 GLN HB2 . 6514 1 476 . 1 1 76 76 GLN HB3 H 1 2.32 0.02 . 1 . . . . 54 GLN HB3 . 6514 1 477 . 1 1 76 76 GLN HG2 H 1 2.32 0.02 . 2 . . . . 54 GLN HG2 . 6514 1 478 . 1 1 76 76 GLN HG3 H 1 2.43 0.02 . 2 . . . . 54 GLN HG3 . 6514 1 479 . 1 1 76 76 GLN C C 13 175.3 0.2 . 1 . . . . 54 GLN C . 6514 1 480 . 1 1 76 76 GLN CA C 13 55.8 0.2 . 1 . . . . 54 GLN CA . 6514 1 481 . 1 1 76 76 GLN CB C 13 28.9 0.2 . 1 . . . . 54 GLN CB . 6514 1 482 . 1 1 76 76 GLN CG C 13 34.7 0.2 . 1 . . . . 54 GLN CG . 6514 1 483 . 1 1 76 76 GLN N N 15 116.2 0.2 . 1 . . . . 54 GLN N . 6514 1 484 . 1 1 77 77 ARG H H 1 7.39 0.02 . 1 . . . . 55 ARG H . 6514 1 485 . 1 1 77 77 ARG HA H 1 4.83 0.02 . 1 . . . . 55 ARG HA . 6514 1 486 . 1 1 77 77 ARG HB2 H 1 1.42 0.02 . 2 . . . . 55 ARG HB2 . 6514 1 487 . 1 1 77 77 ARG HB3 H 1 1.77 0.02 . 2 . . . . 55 ARG HB3 . 6514 1 488 . 1 1 77 77 ARG HG2 H 1 1.47 0.02 . 2 . . . . 55 ARG HG2 . 6514 1 489 . 1 1 77 77 ARG HG3 H 1 1.54 0.02 . 2 . . . . 55 ARG HG3 . 6514 1 490 . 1 1 77 77 ARG HD2 H 1 3.10 0.02 . 2 . . . . 55 ARG HD2 . 6514 1 491 . 1 1 77 77 ARG HD3 H 1 3.10 0.02 . 2 . . . . 55 ARG HD3 . 6514 1 492 . 1 1 77 77 ARG CA C 13 53.1 0.2 . 1 . . . . 55 ARG CA . 6514 1 493 . 1 1 77 77 ARG CB C 13 32.6 0.2 . 1 . . . . 55 ARG CB . 6514 1 494 . 1 1 77 77 ARG CG C 13 27.3 0.2 . 1 . . . . 55 ARG CG . 6514 1 495 . 1 1 77 77 ARG CD C 13 43.5 0.2 . 1 . . . . 55 ARG CD . 6514 1 496 . 1 1 77 77 ARG N N 15 119.4 0.2 . 1 . . . . 55 ARG N . 6514 1 497 . 1 1 78 78 PRO HA H 1 4.75 0.02 . 1 . . . . 56 PRO HA . 6514 1 498 . 1 1 78 78 PRO HB2 H 1 2.02 0.02 . 2 . . . . 56 PRO HB2 . 6514 1 499 . 1 1 78 78 PRO HB3 H 1 2.53 0.02 . 2 . . . . 56 PRO HB3 . 6514 1 500 . 1 1 78 78 PRO HG2 H 1 2.01 0.02 . 2 . . . . 56 PRO HG2 . 6514 1 501 . 1 1 78 78 PRO HG3 H 1 2.01 0.02 . 2 . . . . 56 PRO HG3 . 6514 1 502 . 1 1 78 78 PRO HD2 H 1 3.53 0.02 . 2 . . . . 56 PRO HD2 . 6514 1 503 . 1 1 78 78 PRO HD3 H 1 3.78 0.02 . 2 . . . . 56 PRO HD3 . 6514 1 504 . 1 1 78 78 PRO C C 13 176.4 0.2 . 1 . . . . 56 PRO C . 6514 1 505 . 1 1 78 78 PRO CA C 13 63.3 0.2 . 1 . . . . 56 PRO CA . 6514 1 506 . 1 1 78 78 PRO CB C 13 33.3 0.2 . 1 . . . . 56 PRO CB . 6514 1 507 . 1 1 78 78 PRO CG C 13 27.4 0.2 . 1 . . . . 56 PRO CG . 6514 1 508 . 1 1 78 78 PRO CD C 13 50.3 0.2 . 1 . . . . 56 PRO CD . 6514 1 509 . 1 1 79 79 PHE H H 1 8.98 0.02 . 1 . . . . 57 PHE H . 6514 1 510 . 1 1 79 79 PHE HA H 1 5.39 0.02 . 1 . . . . 57 PHE HA . 6514 1 511 . 1 1 79 79 PHE HB2 H 1 2.73 0.02 . 2 . . . . 57 PHE HB2 . 6514 1 512 . 1 1 79 79 PHE HB3 H 1 3.01 0.02 . 2 . . . . 57 PHE HB3 . 6514 1 513 . 1 1 79 79 PHE HD1 H 1 7.36 0.02 . 3 . . . . 57 PHE HD1 . 6514 1 514 . 1 1 79 79 PHE HD2 H 1 7.36 0.02 . 3 . . . . 57 PHE HD2 . 6514 1 515 . 1 1 79 79 PHE HE1 H 1 6.67 0.02 . 3 . . . . 57 PHE HE1 . 6514 1 516 . 1 1 79 79 PHE HE2 H 1 6.67 0.02 . 3 . . . . 57 PHE HE2 . 6514 1 517 . 1 1 79 79 PHE C C 13 175.3 0.2 . 1 . . . . 57 PHE C . 6514 1 518 . 1 1 79 79 PHE CA C 13 56.1 0.2 . 1 . . . . 57 PHE CA . 6514 1 519 . 1 1 79 79 PHE CB C 13 43.7 0.2 . 1 . . . . 57 PHE CB . 6514 1 520 . 1 1 79 79 PHE CD1 C 13 132.7 0.2 . 3 . . . . 57 PHE CD1 . 6514 1 521 . 1 1 79 79 PHE CD2 C 13 132.7 0.2 . 3 . . . . 57 PHE CD2 . 6514 1 522 . 1 1 79 79 PHE CE1 C 13 129.3 0.2 . 3 . . . . 57 PHE CE1 . 6514 1 523 . 1 1 79 79 PHE CE2 C 13 129.3 0.2 . 3 . . . . 57 PHE CE2 . 6514 1 524 . 1 1 79 79 PHE N N 15 117.8 0.2 . 1 . . . . 57 PHE N . 6514 1 525 . 1 1 80 80 GLU H H 1 9.32 0.02 . 1 . . . . 58 GLU H . 6514 1 526 . 1 1 80 80 GLU HA H 1 5.37 0.02 . 1 . . . . 58 GLU HA . 6514 1 527 . 1 1 80 80 GLU HB2 H 1 2.06 0.02 . 2 . . . . 58 GLU HB2 . 6514 1 528 . 1 1 80 80 GLU HB3 H 1 2.06 0.02 . 2 . . . . 58 GLU HB3 . 6514 1 529 . 1 1 80 80 GLU HG2 H 1 2.07 0.02 . 2 . . . . 58 GLU HG2 . 6514 1 530 . 1 1 80 80 GLU HG3 H 1 2.27 0.02 . 2 . . . . 58 GLU HG3 . 6514 1 531 . 1 1 80 80 GLU C C 13 174.6 0.2 . 1 . . . . 58 GLU C . 6514 1 532 . 1 1 80 80 GLU CA C 13 55.1 0.2 . 1 . . . . 58 GLU CA . 6514 1 533 . 1 1 80 80 GLU CB C 13 34.4 0.2 . 1 . . . . 58 GLU CB . 6514 1 534 . 1 1 80 80 GLU CG C 13 37.6 0.2 . 1 . . . . 58 GLU CG . 6514 1 535 . 1 1 80 80 GLU N N 15 122.5 0.2 . 1 . . . . 58 GLU N . 6514 1 536 . 1 1 81 81 ALA H H 1 9.31 0.02 . 1 . . . . 59 ALA H . 6514 1 537 . 1 1 81 81 ALA HA H 1 5.40 0.02 . 1 . . . . 59 ALA HA . 6514 1 538 . 1 1 81 81 ALA HB1 H 1 1.05 0.02 . 1 . . . . 59 ALA HB . 6514 1 539 . 1 1 81 81 ALA HB2 H 1 1.05 0.02 . 1 . . . . 59 ALA HB . 6514 1 540 . 1 1 81 81 ALA HB3 H 1 1.05 0.02 . 1 . . . . 59 ALA HB . 6514 1 541 . 1 1 81 81 ALA C C 13 176.2 0.2 . 1 . . . . 59 ALA C . 6514 1 542 . 1 1 81 81 ALA CA C 13 49.9 0.2 . 1 . . . . 59 ALA CA . 6514 1 543 . 1 1 81 81 ALA CB C 13 21.1 0.2 . 1 . . . . 59 ALA CB . 6514 1 544 . 1 1 81 81 ALA N N 15 125.7 0.2 . 1 . . . . 59 ALA N . 6514 1 545 . 1 1 82 82 ARG H H 1 8.82 0.02 . 1 . . . . 60 ARG H . 6514 1 546 . 1 1 82 82 ARG HA H 1 4.98 0.02 . 1 . . . . 60 ARG HA . 6514 1 547 . 1 1 82 82 ARG HB2 H 1 1.26 0.02 . 2 . . . . 60 ARG HB2 . 6514 1 548 . 1 1 82 82 ARG HB3 H 1 1.55 0.02 . 2 . . . . 60 ARG HB3 . 6514 1 549 . 1 1 82 82 ARG HG2 H 1 1.40 0.02 . 2 . . . . 60 ARG HG2 . 6514 1 550 . 1 1 82 82 ARG HG3 H 1 1.40 0.02 . 2 . . . . 60 ARG HG3 . 6514 1 551 . 1 1 82 82 ARG HD2 H 1 3.14 0.02 . 2 . . . . 60 ARG HD2 . 6514 1 552 . 1 1 82 82 ARG HD3 H 1 3.14 0.02 . 2 . . . . 60 ARG HD3 . 6514 1 553 . 1 1 82 82 ARG C C 13 173.4 0.2 . 1 . . . . 60 ARG C . 6514 1 554 . 1 1 82 82 ARG CA C 13 55.3 0.2 . 1 . . . . 60 ARG CA . 6514 1 555 . 1 1 82 82 ARG CB C 13 33.5 0.2 . 1 . . . . 60 ARG CB . 6514 1 556 . 1 1 82 82 ARG CG C 13 28.3 0.2 . 1 . . . . 60 ARG CG . 6514 1 557 . 1 1 82 82 ARG CD C 13 43.5 0.2 . 1 . . . . 60 ARG CD . 6514 1 558 . 1 1 82 82 ARG N N 15 119.4 0.2 . 1 . . . . 60 ARG N . 6514 1 559 . 1 1 83 83 LEU H H 1 9.02 0.02 . 1 . . . . 61 LEU H . 6514 1 560 . 1 1 83 83 LEU HA H 1 4.98 0.02 . 1 . . . . 61 LEU HA . 6514 1 561 . 1 1 83 83 LEU HB2 H 1 1.10 0.02 . 2 . . . . 61 LEU HB2 . 6514 1 562 . 1 1 83 83 LEU HB3 H 1 1.77 0.02 . 2 . . . . 61 LEU HB3 . 6514 1 563 . 1 1 83 83 LEU HG H 1 1.57 0.02 . 1 . . . . 61 LEU HG . 6514 1 564 . 1 1 83 83 LEU HD11 H 1 0.72 0.02 . 1 . . . . 61 LEU HD1 . 6514 1 565 . 1 1 83 83 LEU HD12 H 1 0.72 0.02 . 1 . . . . 61 LEU HD1 . 6514 1 566 . 1 1 83 83 LEU HD13 H 1 0.72 0.02 . 1 . . . . 61 LEU HD1 . 6514 1 567 . 1 1 83 83 LEU HD21 H 1 0.74 0.02 . 1 . . . . 61 LEU HD2 . 6514 1 568 . 1 1 83 83 LEU HD22 H 1 0.74 0.02 . 1 . . . . 61 LEU HD2 . 6514 1 569 . 1 1 83 83 LEU HD23 H 1 0.74 0.02 . 1 . . . . 61 LEU HD2 . 6514 1 570 . 1 1 83 83 LEU C C 13 175.0 0.2 . 1 . . . . 61 LEU C . 6514 1 571 . 1 1 83 83 LEU CA C 13 52.8 0.2 . 1 . . . . 61 LEU CA . 6514 1 572 . 1 1 83 83 LEU CB C 13 42.3 0.2 . 1 . . . . 61 LEU CB . 6514 1 573 . 1 1 83 83 LEU CG C 13 27.4 0.2 . 1 . . . . 61 LEU CG . 6514 1 574 . 1 1 83 83 LEU CD1 C 13 24.6 0.2 . 1 . . . . 61 LEU CD1 . 6514 1 575 . 1 1 83 83 LEU CD2 C 13 23.7 0.2 . 1 . . . . 61 LEU CD2 . 6514 1 576 . 1 1 83 83 LEU N N 15 123.1 0.2 . 1 . . . . 61 LEU N . 6514 1 577 . 1 1 84 84 TYR H H 1 9.03 0.02 . 1 . . . . 62 TYR H . 6514 1 578 . 1 1 84 84 TYR HA H 1 4.89 0.02 . 1 . . . . 62 TYR HA . 6514 1 579 . 1 1 84 84 TYR HB2 H 1 3.05 0.02 . 1 . . . . 62 TYR HB2 . 6514 1 580 . 1 1 84 84 TYR HB3 H 1 3.05 0.02 . 1 . . . . 62 TYR HB3 . 6514 1 581 . 1 1 84 84 TYR HD1 H 1 7.13 0.02 . 1 . . . . 62 TYR HD1 . 6514 1 582 . 1 1 84 84 TYR HD2 H 1 7.13 0.02 . 1 . . . . 62 TYR HD2 . 6514 1 583 . 1 1 84 84 TYR HE1 H 1 6.63 0.02 . 1 . . . . 62 TYR HE1 . 6514 1 584 . 1 1 84 84 TYR HE2 H 1 6.63 0.02 . 1 . . . . 62 TYR HE2 . 6514 1 585 . 1 1 84 84 TYR C C 13 176.1 0.2 . 1 . . . . 62 TYR C . 6514 1 586 . 1 1 84 84 TYR CA C 13 57.4 0.2 . 1 . . . . 62 TYR CA . 6514 1 587 . 1 1 84 84 TYR CB C 13 38.5 0.2 . 1 . . . . 62 TYR CB . 6514 1 588 . 1 1 84 84 TYR CD1 C 13 133.8 0.2 . 1 . . . . 62 TYR CD1 . 6514 1 589 . 1 1 84 84 TYR CD2 C 13 133.8 0.2 . 1 . . . . 62 TYR CD2 . 6514 1 590 . 1 1 84 84 TYR CE1 C 13 117.9 0.2 . 1 . . . . 62 TYR CE1 . 6514 1 591 . 1 1 84 84 TYR CE2 C 13 117.9 0.2 . 1 . . . . 62 TYR CE2 . 6514 1 592 . 1 1 84 84 TYR N N 15 122.6 0.2 . 1 . . . . 62 TYR N . 6514 1 593 . 1 1 85 85 LEU H H 1 8.20 0.02 . 1 . . . . 63 LEU H . 6514 1 594 . 1 1 85 85 LEU HA H 1 4.56 0.02 . 1 . . . . 63 LEU HA . 6514 1 595 . 1 1 85 85 LEU HB2 H 1 1.23 0.02 . 2 . . . . 63 LEU HB2 . 6514 1 596 . 1 1 85 85 LEU HB3 H 1 1.56 0.02 . 2 . . . . 63 LEU HB3 . 6514 1 597 . 1 1 85 85 LEU HG H 1 1.46 0.02 . 1 . . . . 63 LEU HG . 6514 1 598 . 1 1 85 85 LEU HD11 H 1 0.52 0.02 . 2 . . . . 63 LEU HD1 . 6514 1 599 . 1 1 85 85 LEU HD12 H 1 0.52 0.02 . 2 . . . . 63 LEU HD1 . 6514 1 600 . 1 1 85 85 LEU HD13 H 1 0.52 0.02 . 2 . . . . 63 LEU HD1 . 6514 1 601 . 1 1 85 85 LEU HD21 H 1 0.53 0.02 . 2 . . . . 63 LEU HD2 . 6514 1 602 . 1 1 85 85 LEU HD22 H 1 0.53 0.02 . 2 . . . . 63 LEU HD2 . 6514 1 603 . 1 1 85 85 LEU HD23 H 1 0.53 0.02 . 2 . . . . 63 LEU HD2 . 6514 1 604 . 1 1 85 85 LEU C C 13 176.2 0.2 . 1 . . . . 63 LEU C . 6514 1 605 . 1 1 85 85 LEU CA C 13 54.6 0.2 . 1 . . . . 63 LEU CA . 6514 1 606 . 1 1 85 85 LEU CB C 13 42.2 0.2 . 1 . . . . 63 LEU CB . 6514 1 607 . 1 1 85 85 LEU CG C 13 28.1 0.2 . 1 . . . . 63 LEU CG . 6514 1 608 . 1 1 85 85 LEU CD1 C 13 25.1 0.2 . 2 . . . . 63 LEU CD1 . 6514 1 609 . 1 1 85 85 LEU CD2 C 13 25.3 0.2 . 2 . . . . 63 LEU CD2 . 6514 1 610 . 1 1 85 85 LEU N N 15 126.1 0.2 . 1 . . . . 63 LEU N . 6514 1 611 . 1 1 86 86 GLY H H 1 7.82 0.02 . 1 . . . . 64 GLY H . 6514 1 612 . 1 1 86 86 GLY HA2 H 1 3.72 0.02 . 2 . . . . 64 GLY HA2 . 6514 1 613 . 1 1 86 86 GLY HA3 H 1 4.01 0.02 . 2 . . . . 64 GLY HA3 . 6514 1 614 . 1 1 86 86 GLY CA C 13 44.7 0.2 . 1 . . . . 64 GLY CA . 6514 1 615 . 1 1 86 86 GLY N N 15 108.5 0.2 . 1 . . . . 64 GLY N . 6514 1 616 . 1 1 87 87 LEU HA H 1 4.09 0.02 . 1 . . . . 65 LEU HA . 6514 1 617 . 1 1 87 87 LEU HB2 H 1 1.50 0.02 . 2 . . . . 65 LEU HB2 . 6514 1 618 . 1 1 87 87 LEU HB3 H 1 1.64 0.02 . 2 . . . . 65 LEU HB3 . 6514 1 619 . 1 1 87 87 LEU HG H 1 1.55 0.02 . 1 . . . . 65 LEU HG . 6514 1 620 . 1 1 87 87 LEU HD11 H 1 0.82 0.02 . 2 . . . . 65 LEU HD1 . 6514 1 621 . 1 1 87 87 LEU HD12 H 1 0.82 0.02 . 2 . . . . 65 LEU HD1 . 6514 1 622 . 1 1 87 87 LEU HD13 H 1 0.82 0.02 . 2 . . . . 65 LEU HD1 . 6514 1 623 . 1 1 87 87 LEU HD21 H 1 0.85 0.02 . 2 . . . . 65 LEU HD2 . 6514 1 624 . 1 1 87 87 LEU HD22 H 1 0.85 0.02 . 2 . . . . 65 LEU HD2 . 6514 1 625 . 1 1 87 87 LEU HD23 H 1 0.85 0.02 . 2 . . . . 65 LEU HD2 . 6514 1 626 . 1 1 87 87 LEU C C 13 177.5 0.2 . 1 . . . . 65 LEU C . 6514 1 627 . 1 1 87 87 LEU CA C 13 56.4 0.2 . 1 . . . . 65 LEU CA . 6514 1 628 . 1 1 87 87 LEU CB C 13 41.2 0.2 . 1 . . . . 65 LEU CB . 6514 1 629 . 1 1 87 87 LEU CG C 13 26.9 0.2 . 1 . . . . 65 LEU CG . 6514 1 630 . 1 1 87 87 LEU CD1 C 13 23.4 0.2 . 2 . . . . 65 LEU CD1 . 6514 1 631 . 1 1 87 87 LEU CD2 C 13 24.8 0.2 . 2 . . . . 65 LEU CD2 . 6514 1 632 . 1 1 88 88 ASP H H 1 8.43 0.02 . 1 . . . . 66 ASP H . 6514 1 633 . 1 1 88 88 ASP HA H 1 4.55 0.02 . 1 . . . . 66 ASP HA . 6514 1 634 . 1 1 88 88 ASP HB2 H 1 2.73 0.02 . 2 . . . . 66 ASP HB2 . 6514 1 635 . 1 1 88 88 ASP HB3 H 1 2.73 0.02 . 2 . . . . 66 ASP HB3 . 6514 1 636 . 1 1 88 88 ASP C C 13 175.3 0.2 . 1 . . . . 66 ASP C . 6514 1 637 . 1 1 88 88 ASP CA C 13 54.7 0.2 . 1 . . . . 66 ASP CA . 6514 1 638 . 1 1 88 88 ASP CB C 13 40.8 0.2 . 1 . . . . 66 ASP CB . 6514 1 639 . 1 1 88 88 ASP N N 15 115.5 0.2 . 1 . . . . 66 ASP N . 6514 1 640 . 1 1 89 89 VAL H H 1 7.37 0.02 . 1 . . . . 67 VAL H . 6514 1 641 . 1 1 89 89 VAL HA H 1 3.63 0.02 . 1 . . . . 67 VAL HA . 6514 1 642 . 1 1 89 89 VAL HB H 1 1.81 0.02 . 1 . . . . 67 VAL HB . 6514 1 643 . 1 1 89 89 VAL HG11 H 1 0.12 0.02 . 1 . . . . 67 VAL HG1 . 6514 1 644 . 1 1 89 89 VAL HG12 H 1 0.12 0.02 . 1 . . . . 67 VAL HG1 . 6514 1 645 . 1 1 89 89 VAL HG13 H 1 0.12 0.02 . 1 . . . . 67 VAL HG1 . 6514 1 646 . 1 1 89 89 VAL HG21 H 1 0.60 0.02 . 1 . . . . 67 VAL HG2 . 6514 1 647 . 1 1 89 89 VAL HG22 H 1 0.60 0.02 . 1 . . . . 67 VAL HG2 . 6514 1 648 . 1 1 89 89 VAL HG23 H 1 0.60 0.02 . 1 . . . . 67 VAL HG2 . 6514 1 649 . 1 1 89 89 VAL C C 13 173.0 0.2 . 1 . . . . 67 VAL C . 6514 1 650 . 1 1 89 89 VAL CA C 13 62.9 0.2 . 1 . . . . 67 VAL CA . 6514 1 651 . 1 1 89 89 VAL CB C 13 32.0 0.2 . 1 . . . . 67 VAL CB . 6514 1 652 . 1 1 89 89 VAL CG1 C 13 20.6 0.2 . 1 . . . . 67 VAL CG1 . 6514 1 653 . 1 1 89 89 VAL CG2 C 13 20.7 0.2 . 1 . . . . 67 VAL CG2 . 6514 1 654 . 1 1 89 89 VAL N N 15 120.2 0.2 . 1 . . . . 67 VAL N . 6514 1 655 . 1 1 90 90 LEU H H 1 7.88 0.02 . 1 . . . . 68 LEU H . 6514 1 656 . 1 1 90 90 LEU HA H 1 4.92 0.02 . 1 . . . . 68 LEU HA . 6514 1 657 . 1 1 90 90 LEU HB2 H 1 1.22 0.02 . 2 . . . . 68 LEU HB2 . 6514 1 658 . 1 1 90 90 LEU HB3 H 1 1.57 0.02 . 2 . . . . 68 LEU HB3 . 6514 1 659 . 1 1 90 90 LEU HG H 1 1.16 0.02 . 1 . . . . 68 LEU HG . 6514 1 660 . 1 1 90 90 LEU HD11 H 1 0.40 0.02 . 1 . . . . 68 LEU HD1 . 6514 1 661 . 1 1 90 90 LEU HD12 H 1 0.40 0.02 . 1 . . . . 68 LEU HD1 . 6514 1 662 . 1 1 90 90 LEU HD13 H 1 0.40 0.02 . 1 . . . . 68 LEU HD1 . 6514 1 663 . 1 1 90 90 LEU HD21 H 1 0.70 0.02 . 1 . . . . 68 LEU HD2 . 6514 1 664 . 1 1 90 90 LEU HD22 H 1 0.70 0.02 . 1 . . . . 68 LEU HD2 . 6514 1 665 . 1 1 90 90 LEU HD23 H 1 0.70 0.02 . 1 . . . . 68 LEU HD2 . 6514 1 666 . 1 1 90 90 LEU C C 13 174.8 0.2 . 1 . . . . 68 LEU C . 6514 1 667 . 1 1 90 90 LEU CA C 13 53.6 0.2 . 1 . . . . 68 LEU CA . 6514 1 668 . 1 1 90 90 LEU CB C 13 44.5 0.2 . 1 . . . . 68 LEU CB . 6514 1 669 . 1 1 90 90 LEU CG C 13 27.6 0.2 . 1 . . . . 68 LEU CG . 6514 1 670 . 1 1 90 90 LEU CD1 C 13 23.8 0.2 . 1 . . . . 68 LEU CD1 . 6514 1 671 . 1 1 90 90 LEU CD2 C 13 25.7 0.2 . 1 . . . . 68 LEU CD2 . 6514 1 672 . 1 1 90 90 LEU N N 15 130.5 0.2 . 1 . . . . 68 LEU N . 6514 1 673 . 1 1 91 91 ILE H H 1 8.81 0.02 . 1 . . . . 69 ILE H . 6514 1 674 . 1 1 91 91 ILE HA H 1 4.29 0.02 . 1 . . . . 69 ILE HA . 6514 1 675 . 1 1 91 91 ILE HB H 1 1.76 0.02 . 1 . . . . 69 ILE HB . 6514 1 676 . 1 1 91 91 ILE HG12 H 1 1.22 0.02 . 2 . . . . 69 ILE HG12 . 6514 1 677 . 1 1 91 91 ILE HG13 H 1 1.42 0.02 . 2 . . . . 69 ILE HG13 . 6514 1 678 . 1 1 91 91 ILE HG21 H 1 0.77 0.02 . 1 . . . . 69 ILE HG2 . 6514 1 679 . 1 1 91 91 ILE HG22 H 1 0.77 0.02 . 1 . . . . 69 ILE HG2 . 6514 1 680 . 1 1 91 91 ILE HG23 H 1 0.77 0.02 . 1 . . . . 69 ILE HG2 . 6514 1 681 . 1 1 91 91 ILE HD11 H 1 0.65 0.02 . 1 . . . . 69 ILE HD1 . 6514 1 682 . 1 1 91 91 ILE HD12 H 1 0.65 0.02 . 1 . . . . 69 ILE HD1 . 6514 1 683 . 1 1 91 91 ILE HD13 H 1 0.65 0.02 . 1 . . . . 69 ILE HD1 . 6514 1 684 . 1 1 91 91 ILE C C 13 173.4 0.2 . 1 . . . . 69 ILE C . 6514 1 685 . 1 1 91 91 ILE CA C 13 60.1 0.2 . 1 . . . . 69 ILE CA . 6514 1 686 . 1 1 91 91 ILE CB C 13 39.4 0.2 . 1 . . . . 69 ILE CB . 6514 1 687 . 1 1 91 91 ILE CG1 C 13 28.3 0.2 . 1 . . . . 69 ILE CG1 . 6514 1 688 . 1 1 91 91 ILE CG2 C 13 17.3 0.2 . 1 . . . . 69 ILE CG2 . 6514 1 689 . 1 1 91 91 ILE CD1 C 13 14.2 0.2 . 1 . . . . 69 ILE CD1 . 6514 1 690 . 1 1 91 91 ILE N N 15 126.2 0.2 . 1 . . . . 69 ILE N . 6514 1 691 . 1 1 92 92 ARG H H 1 8.85 0.02 . 1 . . . . 70 ARG H . 6514 1 692 . 1 1 92 92 ARG HA H 1 5.43 0.02 . 1 . . . . 70 ARG HA . 6514 1 693 . 1 1 92 92 ARG HB2 H 1 1.55 0.02 . 2 . . . . 70 ARG HB2 . 6514 1 694 . 1 1 92 92 ARG HB3 H 1 1.75 0.02 . 2 . . . . 70 ARG HB3 . 6514 1 695 . 1 1 92 92 ARG HG2 H 1 1.37 0.02 . 2 . . . . 70 ARG HG2 . 6514 1 696 . 1 1 92 92 ARG HG3 H 1 1.55 0.02 . 2 . . . . 70 ARG HG3 . 6514 1 697 . 1 1 92 92 ARG HD2 H 1 3.12 0.02 . 2 . . . . 70 ARG HD2 . 6514 1 698 . 1 1 92 92 ARG HD3 H 1 3.12 0.02 . 2 . . . . 70 ARG HD3 . 6514 1 699 . 1 1 92 92 ARG C C 13 175.3 0.2 . 1 . . . . 70 ARG C . 6514 1 700 . 1 1 92 92 ARG CA C 13 54.1 0.2 . 1 . . . . 70 ARG CA . 6514 1 701 . 1 1 92 92 ARG CB C 13 33.6 0.2 . 1 . . . . 70 ARG CB . 6514 1 702 . 1 1 92 92 ARG CG C 13 27.7 0.2 . 1 . . . . 70 ARG CG . 6514 1 703 . 1 1 92 92 ARG CD C 13 43.4 0.2 . 1 . . . . 70 ARG CD . 6514 1 704 . 1 1 92 92 ARG N N 15 126.8 0.2 . 1 . . . . 70 ARG N . 6514 1 705 . 1 1 93 93 MET H H 1 8.62 0.02 . 1 . . . . 71 MET H . 6514 1 706 . 1 1 93 93 MET HA H 1 4.95 0.02 . 1 . . . . 71 MET HA . 6514 1 707 . 1 1 93 93 MET HB2 H 1 1.59 0.02 . 2 . . . . 71 MET HB2 . 6514 1 708 . 1 1 93 93 MET HB3 H 1 2.13 0.02 . 2 . . . . 71 MET HB3 . 6514 1 709 . 1 1 93 93 MET HG2 H 1 2.25 0.02 . 1 . . . . 71 MET HG2 . 6514 1 710 . 1 1 93 93 MET HG3 H 1 2.25 0.02 . 1 . . . . 71 MET HG3 . 6514 1 711 . 1 1 93 93 MET HE1 H 1 1.91 0.02 . 1 . . . . 71 MET HE . 6514 1 712 . 1 1 93 93 MET HE2 H 1 1.91 0.02 . 1 . . . . 71 MET HE . 6514 1 713 . 1 1 93 93 MET HE3 H 1 1.91 0.02 . 1 . . . . 71 MET HE . 6514 1 714 . 1 1 93 93 MET C C 13 174.8 0.2 . 1 . . . . 71 MET C . 6514 1 715 . 1 1 93 93 MET CA C 13 54.8 0.2 . 1 . . . . 71 MET CA . 6514 1 716 . 1 1 93 93 MET CB C 13 38.9 0.2 . 1 . . . . 71 MET CB . 6514 1 717 . 1 1 93 93 MET CG C 13 32.1 0.2 . 1 . . . . 71 MET CG . 6514 1 718 . 1 1 93 93 MET CE C 13 17.0 0.2 . 1 . . . . 71 MET CE . 6514 1 719 . 1 1 93 93 MET N N 15 119.1 0.2 . 1 . . . . 71 MET N . 6514 1 720 . 1 1 94 94 GLU H H 1 9.19 0.02 . 1 . . . . 72 GLU H . 6514 1 721 . 1 1 94 94 GLU HA H 1 4.93 0.02 . 1 . . . . 72 GLU HA . 6514 1 722 . 1 1 94 94 GLU HB2 H 1 2.22 0.02 . 2 . . . . 72 GLU HB2 . 6514 1 723 . 1 1 94 94 GLU HB3 H 1 2.32 0.02 . 2 . . . . 72 GLU HB3 . 6514 1 724 . 1 1 94 94 GLU HG2 H 1 2.33 0.02 . 2 . . . . 72 GLU HG2 . 6514 1 725 . 1 1 94 94 GLU HG3 H 1 2.49 0.02 . 2 . . . . 72 GLU HG3 . 6514 1 726 . 1 1 94 94 GLU C C 13 176.9 0.2 . 1 . . . . 72 GLU C . 6514 1 727 . 1 1 94 94 GLU CA C 13 56.8 0.2 . 1 . . . . 72 GLU CA . 6514 1 728 . 1 1 94 94 GLU CB C 13 30.0 0.2 . 1 . . . . 72 GLU CB . 6514 1 729 . 1 1 94 94 GLU CG C 13 36.1 0.2 . 1 . . . . 72 GLU CG . 6514 1 730 . 1 1 94 94 GLU N N 15 125.1 0.2 . 1 . . . . 72 GLU N . 6514 1 731 . 1 1 95 95 ILE H H 1 8.71 0.02 . 1 . . . . 73 ILE H . 6514 1 732 . 1 1 95 95 ILE HA H 1 5.64 0.02 . 1 . . . . 73 ILE HA . 6514 1 733 . 1 1 95 95 ILE HB H 1 1.84 0.02 . 1 . . . . 73 ILE HB . 6514 1 734 . 1 1 95 95 ILE HG12 H 1 0.80 0.02 . 2 . . . . 73 ILE HG12 . 6514 1 735 . 1 1 95 95 ILE HG13 H 1 1.14 0.02 . 2 . . . . 73 ILE HG13 . 6514 1 736 . 1 1 95 95 ILE HG21 H 1 0.62 0.02 . 1 . . . . 73 ILE HG2 . 6514 1 737 . 1 1 95 95 ILE HG22 H 1 0.62 0.02 . 1 . . . . 73 ILE HG2 . 6514 1 738 . 1 1 95 95 ILE HG23 H 1 0.62 0.02 . 1 . . . . 73 ILE HG2 . 6514 1 739 . 1 1 95 95 ILE HD11 H 1 -0.34 0.02 . 1 . . . . 73 ILE HD1 . 6514 1 740 . 1 1 95 95 ILE HD12 H 1 -0.34 0.02 . 1 . . . . 73 ILE HD1 . 6514 1 741 . 1 1 95 95 ILE HD13 H 1 -0.34 0.02 . 1 . . . . 73 ILE HD1 . 6514 1 742 . 1 1 95 95 ILE C C 13 173.9 0.2 . 1 . . . . 73 ILE C . 6514 1 743 . 1 1 95 95 ILE CA C 13 59.4 0.2 . 1 . . . . 73 ILE CA . 6514 1 744 . 1 1 95 95 ILE CB C 13 43.1 0.2 . 1 . . . . 73 ILE CB . 6514 1 745 . 1 1 95 95 ILE CG1 C 13 25.5 0.2 . 1 . . . . 73 ILE CG1 . 6514 1 746 . 1 1 95 95 ILE CG2 C 13 18.7 0.2 . 1 . . . . 73 ILE CG2 . 6514 1 747 . 1 1 95 95 ILE CD1 C 13 12.5 0.2 . 1 . . . . 73 ILE CD1 . 6514 1 748 . 1 1 95 95 ILE N N 15 118.8 0.2 . 1 . . . . 73 ILE N . 6514 1 749 . 1 1 96 96 SER H H 1 9.18 0.02 . 1 . . . . 74 SER H . 6514 1 750 . 1 1 96 96 SER HA H 1 5.25 0.02 . 1 . . . . 74 SER HA . 6514 1 751 . 1 1 96 96 SER HB2 H 1 3.84 0.02 . 2 . . . . 74 SER HB2 . 6514 1 752 . 1 1 96 96 SER HB3 H 1 3.92 0.02 . 2 . . . . 74 SER HB3 . 6514 1 753 . 1 1 96 96 SER C C 13 174.0 0.2 . 1 . . . . 74 SER C . 6514 1 754 . 1 1 96 96 SER CA C 13 56.3 0.2 . 1 . . . . 74 SER CA . 6514 1 755 . 1 1 96 96 SER CB C 13 65.5 0.2 . 1 . . . . 74 SER CB . 6514 1 756 . 1 1 96 96 SER N N 15 114.3 0.2 . 1 . . . . 74 SER N . 6514 1 757 . 1 1 97 97 LEU H H 1 9.44 0.02 . 1 . . . . 75 LEU H . 6514 1 758 . 1 1 97 97 LEU HA H 1 3.65 0.02 . 1 . . . . 75 LEU HA . 6514 1 759 . 1 1 97 97 LEU HB2 H 1 1.16 0.02 . 2 . . . . 75 LEU HB2 . 6514 1 760 . 1 1 97 97 LEU HB3 H 1 1.92 0.02 . 2 . . . . 75 LEU HB3 . 6514 1 761 . 1 1 97 97 LEU HG H 1 1.00 0.02 . 1 . . . . 75 LEU HG . 6514 1 762 . 1 1 97 97 LEU HD11 H 1 -0.23 0.02 . 1 . . . . 75 LEU HD1 . 6514 1 763 . 1 1 97 97 LEU HD12 H 1 -0.23 0.02 . 1 . . . . 75 LEU HD1 . 6514 1 764 . 1 1 97 97 LEU HD13 H 1 -0.23 0.02 . 1 . . . . 75 LEU HD1 . 6514 1 765 . 1 1 97 97 LEU HD21 H 1 0.77 0.02 . 1 . . . . 75 LEU HD2 . 6514 1 766 . 1 1 97 97 LEU HD22 H 1 0.77 0.02 . 1 . . . . 75 LEU HD2 . 6514 1 767 . 1 1 97 97 LEU HD23 H 1 0.77 0.02 . 1 . . . . 75 LEU HD2 . 6514 1 768 . 1 1 97 97 LEU C C 13 174.8 0.2 . 1 . . . . 75 LEU C . 6514 1 769 . 1 1 97 97 LEU CA C 13 56.3 0.2 . 1 . . . . 75 LEU CA . 6514 1 770 . 1 1 97 97 LEU CB C 13 41.9 0.2 . 1 . . . . 75 LEU CB . 6514 1 771 . 1 1 97 97 LEU CG C 13 26.8 0.2 . 1 . . . . 75 LEU CG . 6514 1 772 . 1 1 97 97 LEU CD1 C 13 22.7 0.2 . 1 . . . . 75 LEU CD1 . 6514 1 773 . 1 1 97 97 LEU CD2 C 13 26.8 0.2 . 1 . . . . 75 LEU CD2 . 6514 1 774 . 1 1 97 97 LEU N N 15 127.2 0.2 . 1 . . . . 75 LEU N . 6514 1 775 . 1 1 98 98 ALA H H 1 8.98 0.02 . 1 . . . . 76 ALA H . 6514 1 776 . 1 1 98 98 ALA HA H 1 4.50 0.02 . 1 . . . . 76 ALA HA . 6514 1 777 . 1 1 98 98 ALA HB1 H 1 1.09 0.02 . 1 . . . . 76 ALA HB . 6514 1 778 . 1 1 98 98 ALA HB2 H 1 1.09 0.02 . 1 . . . . 76 ALA HB . 6514 1 779 . 1 1 98 98 ALA HB3 H 1 1.09 0.02 . 1 . . . . 76 ALA HB . 6514 1 780 . 1 1 98 98 ALA C C 13 177.7 0.2 . 1 . . . . 76 ALA C . 6514 1 781 . 1 1 98 98 ALA CA C 13 52.9 0.2 . 1 . . . . 76 ALA CA . 6514 1 782 . 1 1 98 98 ALA CB C 13 20.9 0.2 . 1 . . . . 76 ALA CB . 6514 1 783 . 1 1 98 98 ALA N N 15 134.0 0.2 . 1 . . . . 76 ALA N . 6514 1 784 . 1 1 99 99 TRP H H 1 7.36 0.02 . 1 . . . . 77 TRP H . 6514 1 785 . 1 1 99 99 TRP HA H 1 4.51 0.02 . 1 . . . . 77 TRP HA . 6514 1 786 . 1 1 99 99 TRP HB2 H 1 2.99 0.02 . 2 . . . . 77 TRP HB2 . 6514 1 787 . 1 1 99 99 TRP HB3 H 1 3.55 0.02 . 2 . . . . 77 TRP HB3 . 6514 1 788 . 1 1 99 99 TRP HD1 H 1 6.88 0.02 . 1 . . . . 77 TRP HD1 . 6514 1 789 . 1 1 99 99 TRP HE1 H 1 9.91 0.02 . 1 . . . . 77 TRP HE1 . 6514 1 790 . 1 1 99 99 TRP HE3 H 1 7.03 0.02 . 1 . . . . 77 TRP HE3 . 6514 1 791 . 1 1 99 99 TRP HZ2 H 1 7.10 0.02 . 1 . . . . 77 TRP HZ2 . 6514 1 792 . 1 1 99 99 TRP HZ3 H 1 6.64 0.02 . 1 . . . . 77 TRP HZ3 . 6514 1 793 . 1 1 99 99 TRP HH2 H 1 6.94 0.02 . 1 . . . . 77 TRP HH2 . 6514 1 794 . 1 1 99 99 TRP C C 13 173.2 0.2 . 1 . . . . 77 TRP C . 6514 1 795 . 1 1 99 99 TRP CA C 13 55.1 0.2 . 1 . . . . 77 TRP CA . 6514 1 796 . 1 1 99 99 TRP CB C 13 31.4 0.2 . 1 . . . . 77 TRP CB . 6514 1 797 . 1 1 99 99 TRP CD1 C 13 128.9 0.2 . 1 . . . . 77 TRP CD1 . 6514 1 798 . 1 1 99 99 TRP CE3 C 13 121.7 0.2 . 1 . . . . 77 TRP CE3 . 6514 1 799 . 1 1 99 99 TRP CZ2 C 13 113.8 0.2 . 1 . . . . 77 TRP CZ2 . 6514 1 800 . 1 1 99 99 TRP CZ3 C 13 121.0 0.2 . 1 . . . . 77 TRP CZ3 . 6514 1 801 . 1 1 99 99 TRP CH2 C 13 125.0 0.2 . 1 . . . . 77 TRP CH2 . 6514 1 802 . 1 1 99 99 TRP N N 15 112.6 0.2 . 1 . . . . 77 TRP N . 6514 1 803 . 1 1 99 99 TRP NE1 N 15 128.8 0.2 . 1 . . . . 77 TRP NE1 . 6514 1 804 . 1 1 100 100 ALA H H 1 8.41 0.02 . 1 . . . . 78 ALA H . 6514 1 805 . 1 1 100 100 ALA HA H 1 5.18 0.02 . 1 . . . . 78 ALA HA . 6514 1 806 . 1 1 100 100 ALA HB1 H 1 1.20 0.02 . 1 . . . . 78 ALA HB . 6514 1 807 . 1 1 100 100 ALA HB2 H 1 1.20 0.02 . 1 . . . . 78 ALA HB . 6514 1 808 . 1 1 100 100 ALA HB3 H 1 1.20 0.02 . 1 . . . . 78 ALA HB . 6514 1 809 . 1 1 100 100 ALA C C 13 176.2 0.2 . 1 . . . . 78 ALA C . 6514 1 810 . 1 1 100 100 ALA CA C 13 51.4 0.2 . 1 . . . . 78 ALA CA . 6514 1 811 . 1 1 100 100 ALA CB C 13 21.6 0.2 . 1 . . . . 78 ALA CB . 6514 1 812 . 1 1 100 100 ALA N N 15 122.5 0.2 . 1 . . . . 78 ALA N . 6514 1 813 . 1 1 101 101 ARG H H 1 8.47 0.02 . 1 . . . . 79 ARG H . 6514 1 814 . 1 1 101 101 ARG HA H 1 4.59 0.02 . 1 . . . . 79 ARG HA . 6514 1 815 . 1 1 101 101 ARG HB2 H 1 1.49 0.02 . 1 . . . . 79 ARG HB2 . 6514 1 816 . 1 1 101 101 ARG HB3 H 1 1.82 0.02 . 1 . . . . 79 ARG HB3 . 6514 1 817 . 1 1 101 101 ARG HG2 H 1 1.39 0.02 . 2 . . . . 79 ARG HG2 . 6514 1 818 . 1 1 101 101 ARG HG3 H 1 1.39 0.02 . 2 . . . . 79 ARG HG3 . 6514 1 819 . 1 1 101 101 ARG HD2 H 1 2.64 0.02 . 2 . . . . 79 ARG HD2 . 6514 1 820 . 1 1 101 101 ARG HD3 H 1 2.64 0.02 . 2 . . . . 79 ARG HD3 . 6514 1 821 . 1 1 101 101 ARG CA C 13 55.8 0.2 . 1 . . . . 79 ARG CA . 6514 1 822 . 1 1 101 101 ARG CB C 13 32.7 0.2 . 1 . . . . 79 ARG CB . 6514 1 823 . 1 1 101 101 ARG CG C 13 26.4 0.2 . 1 . . . . 79 ARG CG . 6514 1 824 . 1 1 101 101 ARG CD C 13 43.1 0.2 . 1 . . . . 79 ARG CD . 6514 1 825 . 1 1 101 101 ARG N N 15 121.3 0.2 . 1 . . . . 79 ARG N . 6514 1 826 . 1 1 102 102 ASP HA H 1 4.27 0.02 . 1 . . . . 80 ASP HA . 6514 1 827 . 1 1 102 102 ASP HB2 H 1 2.59 0.02 . 2 . . . . 80 ASP HB2 . 6514 1 828 . 1 1 102 102 ASP HB3 H 1 2.87 0.02 . 2 . . . . 80 ASP HB3 . 6514 1 829 . 1 1 102 102 ASP C C 13 175.1 0.2 . 1 . . . . 80 ASP C . 6514 1 830 . 1 1 102 102 ASP CA C 13 55.4 0.2 . 1 . . . . 80 ASP CA . 6514 1 831 . 1 1 102 102 ASP CB C 13 39.9 0.2 . 1 . . . . 80 ASP CB . 6514 1 832 . 1 1 103 103 GLY H H 1 8.42 0.02 . 1 . . . . 81 GLY H . 6514 1 833 . 1 1 103 103 GLY HA2 H 1 3.51 0.02 . 2 . . . . 81 GLY HA2 . 6514 1 834 . 1 1 103 103 GLY HA3 H 1 4.10 0.02 . 2 . . . . 81 GLY HA3 . 6514 1 835 . 1 1 103 103 GLY C C 13 174.2 0.2 . 1 . . . . 81 GLY C . 6514 1 836 . 1 1 103 103 GLY CA C 13 46.0 0.2 . 1 . . . . 81 GLY CA . 6514 1 837 . 1 1 103 103 GLY N N 15 104.0 0.2 . 1 . . . . 81 GLY N . 6514 1 838 . 1 1 104 104 LEU H H 1 8.35 0.02 . 1 . . . . 82 LEU H . 6514 1 839 . 1 1 104 104 LEU HA H 1 4.85 0.02 . 1 . . . . 82 LEU HA . 6514 1 840 . 1 1 104 104 LEU HB2 H 1 1.22 0.02 . 2 . . . . 82 LEU HB2 . 6514 1 841 . 1 1 104 104 LEU HB3 H 1 2.11 0.02 . 2 . . . . 82 LEU HB3 . 6514 1 842 . 1 1 104 104 LEU HG H 1 1.50 0.02 . 1 . . . . 82 LEU HG . 6514 1 843 . 1 1 104 104 LEU HD11 H 1 0.77 0.02 . 1 . . . . 82 LEU HD1 . 6514 1 844 . 1 1 104 104 LEU HD12 H 1 0.77 0.02 . 1 . . . . 82 LEU HD1 . 6514 1 845 . 1 1 104 104 LEU HD13 H 1 0.77 0.02 . 1 . . . . 82 LEU HD1 . 6514 1 846 . 1 1 104 104 LEU HD21 H 1 0.25 0.02 . 1 . . . . 82 LEU HD2 . 6514 1 847 . 1 1 104 104 LEU HD22 H 1 0.25 0.02 . 1 . . . . 82 LEU HD2 . 6514 1 848 . 1 1 104 104 LEU HD23 H 1 0.25 0.02 . 1 . . . . 82 LEU HD2 . 6514 1 849 . 1 1 104 104 LEU C C 13 175.5 0.2 . 1 . . . . 82 LEU C . 6514 1 850 . 1 1 104 104 LEU CA C 13 53.4 0.2 . 1 . . . . 82 LEU CA . 6514 1 851 . 1 1 104 104 LEU CB C 13 45.3 0.2 . 1 . . . . 82 LEU CB . 6514 1 852 . 1 1 104 104 LEU CG C 13 26.3 0.2 . 1 . . . . 82 LEU CG . 6514 1 853 . 1 1 104 104 LEU CD1 C 13 25.9 0.2 . 1 . . . . 82 LEU CD1 . 6514 1 854 . 1 1 104 104 LEU CD2 C 13 22.3 0.2 . 1 . . . . 82 LEU CD2 . 6514 1 855 . 1 1 104 104 LEU N N 15 123.5 0.2 . 1 . . . . 82 LEU N . 6514 1 856 . 1 1 105 105 LEU H H 1 8.79 0.02 . 1 . . . . 83 LEU H . 6514 1 857 . 1 1 105 105 LEU HA H 1 4.32 0.02 . 1 . . . . 83 LEU HA . 6514 1 858 . 1 1 105 105 LEU HB2 H 1 0.12 0.02 . 2 . . . . 83 LEU HB2 . 6514 1 859 . 1 1 105 105 LEU HB3 H 1 1.20 0.02 . 2 . . . . 83 LEU HB3 . 6514 1 860 . 1 1 105 105 LEU HG H 1 0.59 0.02 . 1 . . . . 83 LEU HG . 6514 1 861 . 1 1 105 105 LEU HD11 H 1 -0.83 0.02 . 1 . . . . 83 LEU HD1 . 6514 1 862 . 1 1 105 105 LEU HD12 H 1 -0.83 0.02 . 1 . . . . 83 LEU HD1 . 6514 1 863 . 1 1 105 105 LEU HD13 H 1 -0.83 0.02 . 1 . . . . 83 LEU HD1 . 6514 1 864 . 1 1 105 105 LEU HD21 H 1 0.07 0.02 . 1 . . . . 83 LEU HD2 . 6514 1 865 . 1 1 105 105 LEU HD22 H 1 0.07 0.02 . 1 . . . . 83 LEU HD2 . 6514 1 866 . 1 1 105 105 LEU HD23 H 1 0.07 0.02 . 1 . . . . 83 LEU HD2 . 6514 1 867 . 1 1 105 105 LEU C C 13 173.4 0.2 . 1 . . . . 83 LEU C . 6514 1 868 . 1 1 105 105 LEU CA C 13 53.1 0.2 . 1 . . . . 83 LEU CA . 6514 1 869 . 1 1 105 105 LEU CB C 13 43.9 0.2 . 1 . . . . 83 LEU CB . 6514 1 870 . 1 1 105 105 LEU CG C 13 25.8 0.2 . 1 . . . . 83 LEU CG . 6514 1 871 . 1 1 105 105 LEU CD1 C 13 24.0 0.2 . 1 . . . . 83 LEU CD1 . 6514 1 872 . 1 1 105 105 LEU CD2 C 13 22.5 0.2 . 1 . . . . 83 LEU CD2 . 6514 1 873 . 1 1 105 105 LEU N N 15 119.9 0.2 . 1 . . . . 83 LEU N . 6514 1 874 . 1 1 106 106 GLY H H 1 7.68 0.02 . 1 . . . . 84 GLY H . 6514 1 875 . 1 1 106 106 GLY HA2 H 1 1.15 0.02 . 2 . . . . 84 GLY HA2 . 6514 1 876 . 1 1 106 106 GLY HA3 H 1 4.07 0.02 . 2 . . . . 84 GLY HA3 . 6514 1 877 . 1 1 106 106 GLY C C 13 171.3 0.2 . 1 . . . . 84 GLY C . 6514 1 878 . 1 1 106 106 GLY CA C 13 44.1 0.2 . 1 . . . . 84 GLY CA . 6514 1 879 . 1 1 106 106 GLY N N 15 109.9 0.2 . 1 . . . . 84 GLY N . 6514 1 880 . 1 1 107 107 PHE H H 1 8.61 0.02 . 1 . . . . 85 PHE H . 6514 1 881 . 1 1 107 107 PHE HA H 1 5.15 0.02 . 1 . . . . 85 PHE HA . 6514 1 882 . 1 1 107 107 PHE HB2 H 1 2.60 0.02 . 2 . . . . 85 PHE HB2 . 6514 1 883 . 1 1 107 107 PHE HB3 H 1 2.80 0.02 . 2 . . . . 85 PHE HB3 . 6514 1 884 . 1 1 107 107 PHE HD1 H 1 6.54 0.02 . 3 . . . . 85 PHE HD1 . 6514 1 885 . 1 1 107 107 PHE HD2 H 1 6.54 0.02 . 3 . . . . 85 PHE HD2 . 6514 1 886 . 1 1 107 107 PHE HE1 H 1 6.14 0.02 . 3 . . . . 85 PHE HE1 . 6514 1 887 . 1 1 107 107 PHE HE2 H 1 6.14 0.02 . 3 . . . . 85 PHE HE2 . 6514 1 888 . 1 1 107 107 PHE C C 13 175.3 0.2 . 1 . . . . 85 PHE C . 6514 1 889 . 1 1 107 107 PHE CA C 13 55.8 0.2 . 1 . . . . 85 PHE CA . 6514 1 890 . 1 1 107 107 PHE CB C 13 42.0 0.2 . 1 . . . . 85 PHE CB . 6514 1 891 . 1 1 107 107 PHE CD1 C 13 131.5 0.2 . 3 . . . . 85 PHE CD1 . 6514 1 892 . 1 1 107 107 PHE CD2 C 13 131.5 0.2 . 3 . . . . 85 PHE CD2 . 6514 1 893 . 1 1 107 107 PHE CE1 C 13 128.7 0.2 . 3 . . . . 85 PHE CE1 . 6514 1 894 . 1 1 107 107 PHE CE2 C 13 128.7 0.2 . 3 . . . . 85 PHE CE2 . 6514 1 895 . 1 1 107 107 PHE N N 15 122.5 0.2 . 1 . . . . 85 PHE N . 6514 1 896 . 1 1 108 108 GLU H H 1 8.97 0.02 . 1 . . . . 86 GLU H . 6514 1 897 . 1 1 108 108 GLU HA H 1 4.69 0.02 . 1 . . . . 86 GLU HA . 6514 1 898 . 1 1 108 108 GLU HB2 H 1 1.97 0.02 . 2 . . . . 86 GLU HB2 . 6514 1 899 . 1 1 108 108 GLU HB3 H 1 2.06 0.02 . 2 . . . . 86 GLU HB3 . 6514 1 900 . 1 1 108 108 GLU HG2 H 1 2.28 0.02 . 2 . . . . 86 GLU HG2 . 6514 1 901 . 1 1 108 108 GLU HG3 H 1 2.28 0.02 . 2 . . . . 86 GLU HG3 . 6514 1 902 . 1 1 108 108 GLU C C 13 176.1 0.2 . 1 . . . . 86 GLU C . 6514 1 903 . 1 1 108 108 GLU CA C 13 55.2 0.2 . 1 . . . . 86 GLU CA . 6514 1 904 . 1 1 108 108 GLU CB C 13 32.1 0.2 . 1 . . . . 86 GLU CB . 6514 1 905 . 1 1 108 108 GLU CG C 13 37.4 0.2 . 1 . . . . 86 GLU CG . 6514 1 906 . 1 1 108 108 GLU N N 15 120.9 0.2 . 1 . . . . 86 GLU N . 6514 1 907 . 1 1 109 109 CYS H H 1 8.16 0.02 . 1 . . . . 87 CYS H . 6514 1 908 . 1 1 109 109 CYS HA H 1 4.51 0.02 . 1 . . . . 87 CYS HA . 6514 1 909 . 1 1 109 109 CYS HB2 H 1 2.30 0.02 . 2 . . . . 87 CYS HB2 . 6514 1 910 . 1 1 109 109 CYS HB3 H 1 2.80 0.02 . 2 . . . . 87 CYS HB3 . 6514 1 911 . 1 1 109 109 CYS C C 13 174.3 0.2 . 1 . . . . 87 CYS C . 6514 1 912 . 1 1 109 109 CYS CA C 13 58.5 0.2 . 1 . . . . 87 CYS CA . 6514 1 913 . 1 1 109 109 CYS CB C 13 27.8 0.2 . 1 . . . . 87 CYS CB . 6514 1 914 . 1 1 109 109 CYS N N 15 124.2 0.2 . 1 . . . . 87 CYS N . 6514 1 915 . 1 1 110 110 GLN H H 1 9.41 0.02 . 1 . . . . 88 GLN H . 6514 1 916 . 1 1 110 110 GLN HA H 1 4.54 0.02 . 1 . . . . 88 GLN HA . 6514 1 917 . 1 1 110 110 GLN HB2 H 1 1.78 0.02 . 2 . . . . 88 GLN HB2 . 6514 1 918 . 1 1 110 110 GLN HB3 H 1 2.19 0.02 . 2 . . . . 88 GLN HB3 . 6514 1 919 . 1 1 110 110 GLN HG2 H 1 2.33 0.02 . 2 . . . . 88 GLN HG2 . 6514 1 920 . 1 1 110 110 GLN HG3 H 1 2.46 0.02 . 2 . . . . 88 GLN HG3 . 6514 1 921 . 1 1 110 110 GLN HE21 H 1 7.49 0.02 . 1 . . . . 88 GLN HE21 . 6514 1 922 . 1 1 110 110 GLN HE22 H 1 6.81 0.02 . 1 . . . . 88 GLN HE22 . 6514 1 923 . 1 1 110 110 GLN C C 13 176.1 0.2 . 1 . . . . 88 GLN C . 6514 1 924 . 1 1 110 110 GLN CA C 13 56.4 0.2 . 1 . . . . 88 GLN CA . 6514 1 925 . 1 1 110 110 GLN CB C 13 29.7 0.2 . 1 . . . . 88 GLN CB . 6514 1 926 . 1 1 110 110 GLN CG C 13 33.3 0.2 . 1 . . . . 88 GLN CG . 6514 1 927 . 1 1 110 110 GLN N N 15 128.4 0.2 . 1 . . . . 88 GLN N . 6514 1 928 . 1 1 110 110 GLN NE2 N 15 112.4 0.2 . 1 . . . . 88 GLN NE2 . 6514 1 929 . 1 1 111 111 HIS H H 1 7.90 0.02 . 1 . . . . 89 HIS H . 6514 1 930 . 1 1 111 111 HIS HA H 1 4.72 0.02 . 1 . . . . 89 HIS HA . 6514 1 931 . 1 1 111 111 HIS HB2 H 1 2.79 0.02 . 2 . . . . 89 HIS HB2 . 6514 1 932 . 1 1 111 111 HIS HB3 H 1 3.22 0.02 . 2 . . . . 89 HIS HB3 . 6514 1 933 . 1 1 111 111 HIS HD2 H 1 6.83 0.02 . 1 . . . . 89 HIS HD2 . 6514 1 934 . 1 1 111 111 HIS C C 13 172.0 0.2 . 1 . . . . 89 HIS C . 6514 1 935 . 1 1 111 111 HIS CA C 13 58.0 0.2 . 1 . . . . 89 HIS CA . 6514 1 936 . 1 1 111 111 HIS CB C 13 33.1 0.2 . 1 . . . . 89 HIS CB . 6514 1 937 . 1 1 111 111 HIS CD2 C 13 121.1 0.2 . 1 . . . . 89 HIS CD2 . 6514 1 938 . 1 1 111 111 HIS N N 15 118.0 0.2 . 1 . . . . 89 HIS N . 6514 1 939 . 1 1 112 112 ILE H H 1 7.45 0.02 . 1 . . . . 90 ILE H . 6514 1 940 . 1 1 112 112 ILE HA H 1 4.41 0.02 . 1 . . . . 90 ILE HA . 6514 1 941 . 1 1 112 112 ILE HB H 1 1.67 0.02 . 1 . . . . 90 ILE HB . 6514 1 942 . 1 1 112 112 ILE HG12 H 1 1.23 0.02 . 2 . . . . 90 ILE HG12 . 6514 1 943 . 1 1 112 112 ILE HG13 H 1 1.94 0.02 . 2 . . . . 90 ILE HG13 . 6514 1 944 . 1 1 112 112 ILE HG21 H 1 0.81 0.02 . 1 . . . . 90 ILE HG2 . 6514 1 945 . 1 1 112 112 ILE HG22 H 1 0.81 0.02 . 1 . . . . 90 ILE HG2 . 6514 1 946 . 1 1 112 112 ILE HG23 H 1 0.81 0.02 . 1 . . . . 90 ILE HG2 . 6514 1 947 . 1 1 112 112 ILE HD11 H 1 0.66 0.02 . 1 . . . . 90 ILE HD1 . 6514 1 948 . 1 1 112 112 ILE HD12 H 1 0.66 0.02 . 1 . . . . 90 ILE HD1 . 6514 1 949 . 1 1 112 112 ILE HD13 H 1 0.66 0.02 . 1 . . . . 90 ILE HD1 . 6514 1 950 . 1 1 112 112 ILE C C 13 172.2 0.2 . 1 . . . . 90 ILE C . 6514 1 951 . 1 1 112 112 ILE CA C 13 59.9 0.2 . 1 . . . . 90 ILE CA . 6514 1 952 . 1 1 112 112 ILE CB C 13 40.9 0.2 . 1 . . . . 90 ILE CB . 6514 1 953 . 1 1 112 112 ILE CG1 C 13 27.9 0.2 . 1 . . . . 90 ILE CG1 . 6514 1 954 . 1 1 112 112 ILE CG2 C 13 14.1 0.2 . 1 . . . . 90 ILE CG2 . 6514 1 955 . 1 1 112 112 ILE CD1 C 13 13.7 0.2 . 1 . . . . 90 ILE CD1 . 6514 1 956 . 1 1 112 112 ILE N N 15 126.3 0.2 . 1 . . . . 90 ILE N . 6514 1 957 . 1 1 113 113 ASP H H 1 8.23 0.02 . 1 . . . . 91 ASP H . 6514 1 958 . 1 1 113 113 ASP HA H 1 4.51 0.02 . 1 . . . . 91 ASP HA . 6514 1 959 . 1 1 113 113 ASP HB2 H 1 2.77 0.02 . 1 . . . . 91 ASP HB2 . 6514 1 960 . 1 1 113 113 ASP HB3 H 1 3.06 0.02 . 1 . . . . 91 ASP HB3 . 6514 1 961 . 1 1 113 113 ASP C C 13 175.4 0.2 . 1 . . . . 91 ASP C . 6514 1 962 . 1 1 113 113 ASP CA C 13 53.5 0.2 . 1 . . . . 91 ASP CA . 6514 1 963 . 1 1 113 113 ASP CB C 13 42.2 0.2 . 1 . . . . 91 ASP CB . 6514 1 964 . 1 1 113 113 ASP N N 15 124.7 0.2 . 1 . . . . 91 ASP N . 6514 1 965 . 1 1 114 114 LEU H H 1 8.52 0.02 . 1 . . . . 92 LEU H . 6514 1 966 . 1 1 114 114 LEU HA H 1 3.94 0.02 . 1 . . . . 92 LEU HA . 6514 1 967 . 1 1 114 114 LEU HB2 H 1 1.57 0.02 . 2 . . . . 92 LEU HB2 . 6514 1 968 . 1 1 114 114 LEU HB3 H 1 1.78 0.02 . 2 . . . . 92 LEU HB3 . 6514 1 969 . 1 1 114 114 LEU HG H 1 1.78 0.02 . 1 . . . . 92 LEU HG . 6514 1 970 . 1 1 114 114 LEU HD11 H 1 0.95 0.02 . 1 . . . . 92 LEU HD1 . 6514 1 971 . 1 1 114 114 LEU HD12 H 1 0.95 0.02 . 1 . . . . 92 LEU HD1 . 6514 1 972 . 1 1 114 114 LEU HD13 H 1 0.95 0.02 . 1 . . . . 92 LEU HD1 . 6514 1 973 . 1 1 114 114 LEU HD21 H 1 0.90 0.02 . 1 . . . . 92 LEU HD2 . 6514 1 974 . 1 1 114 114 LEU HD22 H 1 0.90 0.02 . 1 . . . . 92 LEU HD2 . 6514 1 975 . 1 1 114 114 LEU HD23 H 1 0.90 0.02 . 1 . . . . 92 LEU HD2 . 6514 1 976 . 1 1 114 114 LEU C C 13 179.8 0.2 . 1 . . . . 92 LEU C . 6514 1 977 . 1 1 114 114 LEU CA C 13 58.5 0.2 . 1 . . . . 92 LEU CA . 6514 1 978 . 1 1 114 114 LEU CB C 13 41.8 0.2 . 1 . . . . 92 LEU CB . 6514 1 979 . 1 1 114 114 LEU CG C 13 27.1 0.2 . 1 . . . . 92 LEU CG . 6514 1 980 . 1 1 114 114 LEU CD1 C 13 24.8 0.2 . 1 . . . . 92 LEU CD1 . 6514 1 981 . 1 1 114 114 LEU CD2 C 13 23.6 0.2 . 1 . . . . 92 LEU CD2 . 6514 1 982 . 1 1 114 114 LEU N N 15 118.8 0.2 . 1 . . . . 92 LEU N . 6514 1 983 . 1 1 115 115 ASP H H 1 8.38 0.02 . 1 . . . . 93 ASP H . 6514 1 984 . 1 1 115 115 ASP HA H 1 4.29 0.02 . 1 . . . . 93 ASP HA . 6514 1 985 . 1 1 115 115 ASP HB2 H 1 2.59 0.02 . 2 . . . . 93 ASP HB2 . 6514 1 986 . 1 1 115 115 ASP HB3 H 1 2.77 0.02 . 2 . . . . 93 ASP HB3 . 6514 1 987 . 1 1 115 115 ASP C C 13 178.2 0.2 . 1 . . . . 93 ASP C . 6514 1 988 . 1 1 115 115 ASP CA C 13 57.5 0.2 . 1 . . . . 93 ASP CA . 6514 1 989 . 1 1 115 115 ASP CB C 13 39.9 0.2 . 1 . . . . 93 ASP CB . 6514 1 990 . 1 1 115 115 ASP N N 15 120.3 0.2 . 1 . . . . 93 ASP N . 6514 1 991 . 1 1 116 116 SER H H 1 8.27 0.02 . 1 . . . . 94 SER H . 6514 1 992 . 1 1 116 116 SER HA H 1 4.28 0.02 . 1 . . . . 94 SER HA . 6514 1 993 . 1 1 116 116 SER HB2 H 1 3.77 0.02 . 2 . . . . 94 SER HB2 . 6514 1 994 . 1 1 116 116 SER HB3 H 1 3.87 0.02 . 2 . . . . 94 SER HB3 . 6514 1 995 . 1 1 116 116 SER C C 13 175.9 0.2 . 1 . . . . 94 SER C . 6514 1 996 . 1 1 116 116 SER CA C 13 63.7 0.2 . 1 . . . . 94 SER CA . 6514 1 997 . 1 1 116 116 SER CB C 13 62.4 0.2 . 1 . . . . 94 SER CB . 6514 1 998 . 1 1 116 116 SER N N 15 119.7 0.2 . 1 . . . . 94 SER N . 6514 1 999 . 1 1 117 117 ILE H H 1 8.26 0.02 . 1 . . . . 95 ILE H . 6514 1 1000 . 1 1 117 117 ILE HA H 1 3.35 0.02 . 1 . . . . 95 ILE HA . 6514 1 1001 . 1 1 117 117 ILE HB H 1 1.83 0.02 . 1 . . . . 95 ILE HB . 6514 1 1002 . 1 1 117 117 ILE HG12 H 1 0.68 0.02 . 2 . . . . 95 ILE HG12 . 6514 1 1003 . 1 1 117 117 ILE HG13 H 1 1.75 0.02 . 2 . . . . 95 ILE HG13 . 6514 1 1004 . 1 1 117 117 ILE HG21 H 1 0.84 0.02 . 1 . . . . 95 ILE HG2 . 6514 1 1005 . 1 1 117 117 ILE HG22 H 1 0.84 0.02 . 1 . . . . 95 ILE HG2 . 6514 1 1006 . 1 1 117 117 ILE HG23 H 1 0.84 0.02 . 1 . . . . 95 ILE HG2 . 6514 1 1007 . 1 1 117 117 ILE HD11 H 1 0.78 0.02 . 1 . . . . 95 ILE HD1 . 6514 1 1008 . 1 1 117 117 ILE HD12 H 1 0.78 0.02 . 1 . . . . 95 ILE HD1 . 6514 1 1009 . 1 1 117 117 ILE HD13 H 1 0.78 0.02 . 1 . . . . 95 ILE HD1 . 6514 1 1010 . 1 1 117 117 ILE C C 13 177.4 0.2 . 1 . . . . 95 ILE C . 6514 1 1011 . 1 1 117 117 ILE CA C 13 66.6 0.2 . 1 . . . . 95 ILE CA . 6514 1 1012 . 1 1 117 117 ILE CB C 13 38.2 0.2 . 1 . . . . 95 ILE CB . 6514 1 1013 . 1 1 117 117 ILE CG1 C 13 29.1 0.2 . 1 . . . . 95 ILE CG1 . 6514 1 1014 . 1 1 117 117 ILE CG2 C 13 16.9 0.2 . 1 . . . . 95 ILE CG2 . 6514 1 1015 . 1 1 117 117 ILE CD1 C 13 13.5 0.2 . 1 . . . . 95 ILE CD1 . 6514 1 1016 . 1 1 117 117 ILE N N 15 121.5 0.2 . 1 . . . . 95 ILE N . 6514 1 1017 . 1 1 118 118 SER H H 1 7.90 0.02 . 1 . . . . 96 SER H . 6514 1 1018 . 1 1 118 118 SER HA H 1 4.08 0.02 . 1 . . . . 96 SER HA . 6514 1 1019 . 1 1 118 118 SER HB2 H 1 3.87 0.02 . 2 . . . . 96 SER HB2 . 6514 1 1020 . 1 1 118 118 SER HB3 H 1 3.93 0.02 . 2 . . . . 96 SER HB3 . 6514 1 1021 . 1 1 118 118 SER C C 13 177.6 0.2 . 1 . . . . 96 SER C . 6514 1 1022 . 1 1 118 118 SER CA C 13 62.0 0.2 . 1 . . . . 96 SER CA . 6514 1 1023 . 1 1 118 118 SER CB C 13 62.2 0.2 . 1 . . . . 96 SER CB . 6514 1 1024 . 1 1 118 118 SER N N 15 114.7 0.2 . 1 . . . . 96 SER N . 6514 1 1025 . 1 1 119 119 HIS H H 1 8.03 0.02 . 1 . . . . 97 HIS H . 6514 1 1026 . 1 1 119 119 HIS HA H 1 4.58 0.02 . 1 . . . . 97 HIS HA . 6514 1 1027 . 1 1 119 119 HIS HB2 H 1 2.66 0.02 . 2 . . . . 97 HIS HB2 . 6514 1 1028 . 1 1 119 119 HIS HB3 H 1 3.10 0.02 . 2 . . . . 97 HIS HB3 . 6514 1 1029 . 1 1 119 119 HIS HD2 H 1 6.97 0.02 . 1 . . . . 97 HIS HD2 . 6514 1 1030 . 1 1 119 119 HIS CA C 13 59.1 0.2 . 1 . . . . 97 HIS CA . 6514 1 1031 . 1 1 119 119 HIS CB C 13 31.3 0.2 . 1 . . . . 97 HIS CB . 6514 1 1032 . 1 1 119 119 HIS CD2 C 13 119.5 0.2 . 1 . . . . 97 HIS CD2 . 6514 1 1033 . 1 1 119 119 HIS N N 15 120.4 0.2 . 1 . . . . 97 HIS N . 6514 1 1034 . 1 1 120 120 LEU H H 1 8.08 0.02 . 1 . . . . 98 LEU H . 6514 1 1035 . 1 1 120 120 LEU HA H 1 3.93 0.02 . 1 . . . . 98 LEU HA . 6514 1 1036 . 1 1 120 120 LEU HB2 H 1 1.35 0.02 . 2 . . . . 98 LEU HB2 . 6514 1 1037 . 1 1 120 120 LEU HB3 H 1 1.72 0.02 . 2 . . . . 98 LEU HB3 . 6514 1 1038 . 1 1 120 120 LEU HG H 1 0.63 0.02 . 1 . . . . 98 LEU HG . 6514 1 1039 . 1 1 120 120 LEU HD11 H 1 0.68 0.02 . 1 . . . . 98 LEU HD1 . 6514 1 1040 . 1 1 120 120 LEU HD12 H 1 0.68 0.02 . 1 . . . . 98 LEU HD1 . 6514 1 1041 . 1 1 120 120 LEU HD13 H 1 0.68 0.02 . 1 . . . . 98 LEU HD1 . 6514 1 1042 . 1 1 120 120 LEU HD21 H 1 0.67 0.02 . 1 . . . . 98 LEU HD2 . 6514 1 1043 . 1 1 120 120 LEU HD22 H 1 0.67 0.02 . 1 . . . . 98 LEU HD2 . 6514 1 1044 . 1 1 120 120 LEU HD23 H 1 0.67 0.02 . 1 . . . . 98 LEU HD2 . 6514 1 1045 . 1 1 120 120 LEU C C 13 178.3 0.2 . 1 . . . . 98 LEU C . 6514 1 1046 . 1 1 120 120 LEU CA C 13 58.1 0.2 . 1 . . . . 98 LEU CA . 6514 1 1047 . 1 1 120 120 LEU CB C 13 41.8 0.2 . 1 . . . . 98 LEU CB . 6514 1 1048 . 1 1 120 120 LEU CG C 13 27.3 0.2 . 1 . . . . 98 LEU CG . 6514 1 1049 . 1 1 120 120 LEU CD1 C 13 24.6 0.2 . 1 . . . . 98 LEU CD1 . 6514 1 1050 . 1 1 120 120 LEU CD2 C 13 24.4 0.2 . 1 . . . . 98 LEU CD2 . 6514 1 1051 . 1 1 120 120 LEU N N 15 120.4 0.2 . 1 . . . . 98 LEU N . 6514 1 1052 . 1 1 121 121 ARG H H 1 8.67 0.02 . 1 . . . . 99 ARG H . 6514 1 1053 . 1 1 121 121 ARG HA H 1 3.80 0.02 . 1 . . . . 99 ARG HA . 6514 1 1054 . 1 1 121 121 ARG HB2 H 1 1.79 0.02 . 2 . . . . 99 ARG HB2 . 6514 1 1055 . 1 1 121 121 ARG HB3 H 1 1.79 0.02 . 2 . . . . 99 ARG HB3 . 6514 1 1056 . 1 1 121 121 ARG HG2 H 1 1.51 0.02 . 2 . . . . 99 ARG HG2 . 6514 1 1057 . 1 1 121 121 ARG HG3 H 1 1.78 0.02 . 2 . . . . 99 ARG HG3 . 6514 1 1058 . 1 1 121 121 ARG HD2 H 1 3.07 0.02 . 2 . . . . 99 ARG HD2 . 6514 1 1059 . 1 1 121 121 ARG HD3 H 1 3.18 0.02 . 2 . . . . 99 ARG HD3 . 6514 1 1060 . 1 1 121 121 ARG C C 13 178.9 0.2 . 1 . . . . 99 ARG C . 6514 1 1061 . 1 1 121 121 ARG CA C 13 60.5 0.2 . 1 . . . . 99 ARG CA . 6514 1 1062 . 1 1 121 121 ARG CB C 13 29.6 0.2 . 1 . . . . 99 ARG CB . 6514 1 1063 . 1 1 121 121 ARG CG C 13 28.5 0.2 . 1 . . . . 99 ARG CG . 6514 1 1064 . 1 1 121 121 ARG CD C 13 43.2 0.2 . 1 . . . . 99 ARG CD . 6514 1 1065 . 1 1 121 121 ARG N N 15 117.0 0.2 . 1 . . . . 99 ARG N . 6514 1 1066 . 1 1 122 122 ARG H H 1 7.99 0.02 . 1 . . . . 100 ARG H . 6514 1 1067 . 1 1 122 122 ARG HA H 1 4.09 0.02 . 1 . . . . 100 ARG HA . 6514 1 1068 . 1 1 122 122 ARG HB2 H 1 1.93 0.02 . 2 . . . . 100 ARG HB2 . 6514 1 1069 . 1 1 122 122 ARG HB3 H 1 2.01 0.02 . 2 . . . . 100 ARG HB3 . 6514 1 1070 . 1 1 122 122 ARG HG2 H 1 1.56 0.02 . 2 . . . . 100 ARG HG2 . 6514 1 1071 . 1 1 122 122 ARG HG3 H 1 1.65 0.02 . 2 . . . . 100 ARG HG3 . 6514 1 1072 . 1 1 122 122 ARG HD2 H 1 3.15 0.02 . 2 . . . . 100 ARG HD2 . 6514 1 1073 . 1 1 122 122 ARG HD3 H 1 3.31 0.02 . 2 . . . . 100 ARG HD3 . 6514 1 1074 . 1 1 122 122 ARG C C 13 178.3 0.2 . 1 . . . . 100 ARG C . 6514 1 1075 . 1 1 122 122 ARG CA C 13 58.9 0.2 . 1 . . . . 100 ARG CA . 6514 1 1076 . 1 1 122 122 ARG CB C 13 30.0 0.2 . 1 . . . . 100 ARG CB . 6514 1 1077 . 1 1 122 122 ARG CG C 13 27.0 0.2 . 1 . . . . 100 ARG CG . 6514 1 1078 . 1 1 122 122 ARG CD C 13 43.0 0.2 . 1 . . . . 100 ARG CD . 6514 1 1079 . 1 1 122 122 ARG N N 15 119.5 0.2 . 1 . . . . 100 ARG N . 6514 1 1080 . 1 1 123 123 LEU H H 1 8.12 0.02 . 1 . . . . 101 LEU H . 6514 1 1081 . 1 1 123 123 LEU HA H 1 3.93 0.02 . 1 . . . . 101 LEU HA . 6514 1 1082 . 1 1 123 123 LEU HB2 H 1 1.37 0.02 . 2 . . . . 101 LEU HB2 . 6514 1 1083 . 1 1 123 123 LEU HB3 H 1 1.72 0.02 . 2 . . . . 101 LEU HB3 . 6514 1 1084 . 1 1 123 123 LEU HG H 1 1.56 0.02 . 1 . . . . 101 LEU HG . 6514 1 1085 . 1 1 123 123 LEU HD11 H 1 0.33 0.02 . 1 . . . . 101 LEU HD1 . 6514 1 1086 . 1 1 123 123 LEU HD12 H 1 0.33 0.02 . 1 . . . . 101 LEU HD1 . 6514 1 1087 . 1 1 123 123 LEU HD13 H 1 0.33 0.02 . 1 . . . . 101 LEU HD1 . 6514 1 1088 . 1 1 123 123 LEU HD21 H 1 0.56 0.02 . 1 . . . . 101 LEU HD2 . 6514 1 1089 . 1 1 123 123 LEU HD22 H 1 0.56 0.02 . 1 . . . . 101 LEU HD2 . 6514 1 1090 . 1 1 123 123 LEU HD23 H 1 0.56 0.02 . 1 . . . . 101 LEU HD2 . 6514 1 1091 . 1 1 123 123 LEU C C 13 179.7 0.2 . 1 . . . . 101 LEU C . 6514 1 1092 . 1 1 123 123 LEU CA C 13 58.0 0.2 . 1 . . . . 101 LEU CA . 6514 1 1093 . 1 1 123 123 LEU CB C 13 41.8 0.2 . 1 . . . . 101 LEU CB . 6514 1 1094 . 1 1 123 123 LEU CG C 13 27.2 0.2 . 1 . . . . 101 LEU CG . 6514 1 1095 . 1 1 123 123 LEU CD1 C 13 25.0 0.2 . 1 . . . . 101 LEU CD1 . 6514 1 1096 . 1 1 123 123 LEU CD2 C 13 23.5 0.2 . 1 . . . . 101 LEU CD2 . 6514 1 1097 . 1 1 123 123 LEU N N 15 119.8 0.2 . 1 . . . . 101 LEU N . 6514 1 1098 . 1 1 124 124 VAL H H 1 7.99 0.02 . 1 . . . . 102 VAL H . 6514 1 1099 . 1 1 124 124 VAL HA H 1 3.65 0.02 . 1 . . . . 102 VAL HA . 6514 1 1100 . 1 1 124 124 VAL HB H 1 2.17 0.02 . 1 . . . . 102 VAL HB . 6514 1 1101 . 1 1 124 124 VAL HG11 H 1 0.80 0.02 . 1 . . . . 102 VAL HG1 . 6514 1 1102 . 1 1 124 124 VAL HG12 H 1 0.80 0.02 . 1 . . . . 102 VAL HG1 . 6514 1 1103 . 1 1 124 124 VAL HG13 H 1 0.80 0.02 . 1 . . . . 102 VAL HG1 . 6514 1 1104 . 1 1 124 124 VAL HG21 H 1 1.06 0.02 . 1 . . . . 102 VAL HG2 . 6514 1 1105 . 1 1 124 124 VAL HG22 H 1 1.06 0.02 . 1 . . . . 102 VAL HG2 . 6514 1 1106 . 1 1 124 124 VAL HG23 H 1 1.06 0.02 . 1 . . . . 102 VAL HG2 . 6514 1 1107 . 1 1 124 124 VAL C C 13 177.9 0.2 . 1 . . . . 102 VAL C . 6514 1 1108 . 1 1 124 124 VAL CA C 13 66.7 0.2 . 1 . . . . 102 VAL CA . 6514 1 1109 . 1 1 124 124 VAL CB C 13 31.5 0.2 . 1 . . . . 102 VAL CB . 6514 1 1110 . 1 1 124 124 VAL CG1 C 13 21.8 0.2 . 1 . . . . 102 VAL CG1 . 6514 1 1111 . 1 1 124 124 VAL CG2 C 13 23.8 0.2 . 1 . . . . 102 VAL CG2 . 6514 1 1112 . 1 1 124 124 VAL N N 15 119.4 0.2 . 1 . . . . 102 VAL N . 6514 1 1113 . 1 1 125 125 GLU H H 1 8.09 0.02 . 1 . . . . 103 GLU H . 6514 1 1114 . 1 1 125 125 GLU HA H 1 4.06 0.02 . 1 . . . . 103 GLU HA . 6514 1 1115 . 1 1 125 125 GLU HB2 H 1 2.15 0.02 . 2 . . . . 103 GLU HB2 . 6514 1 1116 . 1 1 125 125 GLU HB3 H 1 2.15 0.02 . 2 . . . . 103 GLU HB3 . 6514 1 1117 . 1 1 125 125 GLU HG2 H 1 2.36 0.02 . 2 . . . . 103 GLU HG2 . 6514 1 1118 . 1 1 125 125 GLU HG3 H 1 2.36 0.02 . 2 . . . . 103 GLU HG3 . 6514 1 1119 . 1 1 125 125 GLU C C 13 180.1 0.2 . 1 . . . . 103 GLU C . 6514 1 1120 . 1 1 125 125 GLU CA C 13 59.4 0.2 . 1 . . . . 103 GLU CA . 6514 1 1121 . 1 1 125 125 GLU CB C 13 29.6 0.2 . 1 . . . . 103 GLU CB . 6514 1 1122 . 1 1 125 125 GLU CG C 13 36.1 0.2 . 1 . . . . 103 GLU CG . 6514 1 1123 . 1 1 125 125 GLU N N 15 121.4 0.2 . 1 . . . . 103 GLU N . 6514 1 1124 . 1 1 126 126 LEU H H 1 8.43 0.02 . 1 . . . . 104 LEU H . 6514 1 1125 . 1 1 126 126 LEU HA H 1 4.12 0.02 . 1 . . . . 104 LEU HA . 6514 1 1126 . 1 1 126 126 LEU HB2 H 1 1.56 0.02 . 1 . . . . 104 LEU HB2 . 6514 1 1127 . 1 1 126 126 LEU HB3 H 1 1.77 0.02 . 1 . . . . 104 LEU HB3 . 6514 1 1128 . 1 1 126 126 LEU HG H 1 1.71 0.02 . 1 . . . . 104 LEU HG . 6514 1 1129 . 1 1 126 126 LEU HD11 H 1 0.84 0.02 . 2 . . . . 104 LEU HD1 . 6514 1 1130 . 1 1 126 126 LEU HD12 H 1 0.84 0.02 . 2 . . . . 104 LEU HD1 . 6514 1 1131 . 1 1 126 126 LEU HD13 H 1 0.84 0.02 . 2 . . . . 104 LEU HD1 . 6514 1 1132 . 1 1 126 126 LEU HD21 H 1 0.84 0.02 . 2 . . . . 104 LEU HD2 . 6514 1 1133 . 1 1 126 126 LEU HD22 H 1 0.84 0.02 . 2 . . . . 104 LEU HD2 . 6514 1 1134 . 1 1 126 126 LEU HD23 H 1 0.84 0.02 . 2 . . . . 104 LEU HD2 . 6514 1 1135 . 1 1 126 126 LEU C C 13 177.9 0.2 . 1 . . . . 104 LEU C . 6514 1 1136 . 1 1 126 126 LEU CA C 13 57.2 0.2 . 1 . . . . 104 LEU CA . 6514 1 1137 . 1 1 126 126 LEU CB C 13 42.3 0.2 . 1 . . . . 104 LEU CB . 6514 1 1138 . 1 1 126 126 LEU CG C 13 26.8 0.2 . 1 . . . . 104 LEU CG . 6514 1 1139 . 1 1 126 126 LEU CD1 C 13 23.5 0.2 . 2 . . . . 104 LEU CD1 . 6514 1 1140 . 1 1 126 126 LEU CD2 C 13 24.8 0.2 . 2 . . . . 104 LEU CD2 . 6514 1 1141 . 1 1 126 126 LEU N N 15 119.8 0.2 . 1 . . . . 104 LEU N . 6514 1 1142 . 1 1 127 127 ASN H H 1 7.52 0.02 . 1 . . . . 105 ASN H . 6514 1 1143 . 1 1 127 127 ASN HA H 1 4.68 0.02 . 1 . . . . 105 ASN HA . 6514 1 1144 . 1 1 127 127 ASN HB2 H 1 2.54 0.02 . 2 . . . . 105 ASN HB2 . 6514 1 1145 . 1 1 127 127 ASN HB3 H 1 2.72 0.02 . 2 . . . . 105 ASN HB3 . 6514 1 1146 . 1 1 127 127 ASN HD21 H 1 7.66 0.02 . 1 . . . . 105 ASN HD21 . 6514 1 1147 . 1 1 127 127 ASN HD22 H 1 7.25 0.02 . 1 . . . . 105 ASN HD22 . 6514 1 1148 . 1 1 127 127 ASN C C 13 174.0 0.2 . 1 . . . . 105 ASN C . 6514 1 1149 . 1 1 127 127 ASN CA C 13 53.9 0.2 . 1 . . . . 105 ASN CA . 6514 1 1150 . 1 1 127 127 ASN CB C 13 39.7 0.2 . 1 . . . . 105 ASN CB . 6514 1 1151 . 1 1 127 127 ASN N N 15 114.9 0.2 . 1 . . . . 105 ASN N . 6514 1 1152 . 1 1 127 127 ASN ND2 N 15 113.7 0.2 . 1 . . . . 105 ASN ND2 . 6514 1 1153 . 1 1 128 128 LEU H H 1 8.14 0.02 . 1 . . . . 106 LEU H . 6514 1 1154 . 1 1 128 128 LEU HA H 1 4.22 0.02 . 1 . . . . 106 LEU HA . 6514 1 1155 . 1 1 128 128 LEU HB2 H 1 1.61 0.02 . 2 . . . . 106 LEU HB2 . 6514 1 1156 . 1 1 128 128 LEU HB3 H 1 1.96 0.02 . 2 . . . . 106 LEU HB3 . 6514 1 1157 . 1 1 128 128 LEU HG H 1 1.50 0.02 . 1 . . . . 106 LEU HG . 6514 1 1158 . 1 1 128 128 LEU HD11 H 1 0.89 0.02 . 1 . . . . 106 LEU HD1 . 6514 1 1159 . 1 1 128 128 LEU HD12 H 1 0.89 0.02 . 1 . . . . 106 LEU HD1 . 6514 1 1160 . 1 1 128 128 LEU HD13 H 1 0.89 0.02 . 1 . . . . 106 LEU HD1 . 6514 1 1161 . 1 1 128 128 LEU HD21 H 1 0.82 0.02 . 1 . . . . 106 LEU HD2 . 6514 1 1162 . 1 1 128 128 LEU HD22 H 1 0.82 0.02 . 1 . . . . 106 LEU HD2 . 6514 1 1163 . 1 1 128 128 LEU HD23 H 1 0.82 0.02 . 1 . . . . 106 LEU HD2 . 6514 1 1164 . 1 1 128 128 LEU C C 13 177.4 0.2 . 1 . . . . 106 LEU C . 6514 1 1165 . 1 1 128 128 LEU CA C 13 55.7 0.2 . 1 . . . . 106 LEU CA . 6514 1 1166 . 1 1 128 128 LEU CB C 13 40.0 0.2 . 1 . . . . 106 LEU CB . 6514 1 1167 . 1 1 128 128 LEU CG C 13 31.3 0.2 . 1 . . . . 106 LEU CG . 6514 1 1168 . 1 1 128 128 LEU CD1 C 13 25.6 0.2 . 1 . . . . 106 LEU CD1 . 6514 1 1169 . 1 1 128 128 LEU CD2 C 13 23.3 0.2 . 1 . . . . 106 LEU CD2 . 6514 1 1170 . 1 1 128 128 LEU N N 15 117.4 0.2 . 1 . . . . 106 LEU N . 6514 1 1171 . 1 1 129 129 GLY H H 1 8.33 0.02 . 1 . . . . 107 GLY H . 6514 1 1172 . 1 1 129 129 GLY HA2 H 1 3.65 0.02 . 2 . . . . 107 GLY HA2 . 6514 1 1173 . 1 1 129 129 GLY HA3 H 1 4.17 0.02 . 2 . . . . 107 GLY HA3 . 6514 1 1174 . 1 1 129 129 GLY C C 13 172.9 0.2 . 1 . . . . 107 GLY C . 6514 1 1175 . 1 1 129 129 GLY CA C 13 44.9 0.2 . 1 . . . . 107 GLY CA . 6514 1 1176 . 1 1 129 129 GLY N N 15 106.1 0.2 . 1 . . . . 107 GLY N . 6514 1 1177 . 1 1 130 130 ASP H H 1 7.64 0.02 . 1 . . . . 108 ASP H . 6514 1 1178 . 1 1 130 130 ASP HA H 1 4.70 0.02 . 1 . . . . 108 ASP HA . 6514 1 1179 . 1 1 130 130 ASP HB2 H 1 2.62 0.02 . 2 . . . . 108 ASP HB2 . 6514 1 1180 . 1 1 130 130 ASP HB3 H 1 2.81 0.02 . 2 . . . . 108 ASP HB3 . 6514 1 1181 . 1 1 130 130 ASP C C 13 176.5 0.2 . 1 . . . . 108 ASP C . 6514 1 1182 . 1 1 130 130 ASP CA C 13 53.2 0.2 . 1 . . . . 108 ASP CA . 6514 1 1183 . 1 1 130 130 ASP CB C 13 41.9 0.2 . 1 . . . . 108 ASP CB . 6514 1 1184 . 1 1 130 130 ASP N N 15 119.0 0.2 . 1 . . . . 108 ASP N . 6514 1 1185 . 1 1 131 131 GLU H H 1 8.99 0.02 . 1 . . . . 109 GLU H . 6514 1 1186 . 1 1 131 131 GLU HA H 1 3.96 0.02 . 1 . . . . 109 GLU HA . 6514 1 1187 . 1 1 131 131 GLU HB2 H 1 2.10 0.02 . 2 . . . . 109 GLU HB2 . 6514 1 1188 . 1 1 131 131 GLU HB3 H 1 2.10 0.02 . 2 . . . . 109 GLU HB3 . 6514 1 1189 . 1 1 131 131 GLU HG2 H 1 2.28 0.02 . 2 . . . . 109 GLU HG2 . 6514 1 1190 . 1 1 131 131 GLU HG3 H 1 2.28 0.02 . 2 . . . . 109 GLU HG3 . 6514 1 1191 . 1 1 131 131 GLU C C 13 178.6 0.2 . 1 . . . . 109 GLU C . 6514 1 1192 . 1 1 131 131 GLU CA C 13 58.9 0.2 . 1 . . . . 109 GLU CA . 6514 1 1193 . 1 1 131 131 GLU CB C 13 29.4 0.2 . 1 . . . . 109 GLU CB . 6514 1 1194 . 1 1 131 131 GLU CG C 13 36.2 0.2 . 1 . . . . 109 GLU CG . 6514 1 1195 . 1 1 131 131 GLU N N 15 123.9 0.2 . 1 . . . . 109 GLU N . 6514 1 1196 . 1 1 132 132 GLU H H 1 8.91 0.02 . 1 . . . . 110 GLU H . 6514 1 1197 . 1 1 132 132 GLU HA H 1 4.06 0.02 . 1 . . . . 110 GLU HA . 6514 1 1198 . 1 1 132 132 GLU HB2 H 1 2.04 0.02 . 2 . . . . 110 GLU HB2 . 6514 1 1199 . 1 1 132 132 GLU HB3 H 1 2.04 0.02 . 2 . . . . 110 GLU HB3 . 6514 1 1200 . 1 1 132 132 GLU HG2 H 1 2.30 0.02 . 2 . . . . 110 GLU HG2 . 6514 1 1201 . 1 1 132 132 GLU HG3 H 1 2.30 0.02 . 2 . . . . 110 GLU HG3 . 6514 1 1202 . 1 1 132 132 GLU C C 13 179.6 0.2 . 1 . . . . 110 GLU C . 6514 1 1203 . 1 1 132 132 GLU CA C 13 59.1 0.2 . 1 . . . . 110 GLU CA . 6514 1 1204 . 1 1 132 132 GLU CB C 13 28.8 0.2 . 1 . . . . 110 GLU CB . 6514 1 1205 . 1 1 132 132 GLU CG C 13 36.6 0.2 . 1 . . . . 110 GLU CG . 6514 1 1206 . 1 1 132 132 GLU N N 15 121.1 0.2 . 1 . . . . 110 GLU N . 6514 1 1207 . 1 1 133 133 LEU H H 1 8.21 0.02 . 1 . . . . 111 LEU H . 6514 1 1208 . 1 1 133 133 LEU HA H 1 4.03 0.02 . 1 . . . . 111 LEU HA . 6514 1 1209 . 1 1 133 133 LEU HB2 H 1 1.85 0.02 . 2 . . . . 111 LEU HB2 . 6514 1 1210 . 1 1 133 133 LEU HB3 H 1 1.85 0.02 . 2 . . . . 111 LEU HB3 . 6514 1 1211 . 1 1 133 133 LEU HG H 1 1.80 0.02 . 1 . . . . 111 LEU HG . 6514 1 1212 . 1 1 133 133 LEU HD11 H 1 0.86 0.02 . 1 . . . . 111 LEU HD1 . 6514 1 1213 . 1 1 133 133 LEU HD12 H 1 0.86 0.02 . 1 . . . . 111 LEU HD1 . 6514 1 1214 . 1 1 133 133 LEU HD13 H 1 0.86 0.02 . 1 . . . . 111 LEU HD1 . 6514 1 1215 . 1 1 133 133 LEU HD21 H 1 0.75 0.02 . 1 . . . . 111 LEU HD2 . 6514 1 1216 . 1 1 133 133 LEU HD22 H 1 0.75 0.02 . 1 . . . . 111 LEU HD2 . 6514 1 1217 . 1 1 133 133 LEU HD23 H 1 0.75 0.02 . 1 . . . . 111 LEU HD2 . 6514 1 1218 . 1 1 133 133 LEU C C 13 181.5 0.2 . 1 . . . . 111 LEU C . 6514 1 1219 . 1 1 133 133 LEU CA C 13 57.1 0.2 . 1 . . . . 111 LEU CA . 6514 1 1220 . 1 1 133 133 LEU CB C 13 42.5 0.2 . 1 . . . . 111 LEU CB . 6514 1 1221 . 1 1 133 133 LEU CG C 13 27.3 0.2 . 1 . . . . 111 LEU CG . 6514 1 1222 . 1 1 133 133 LEU CD1 C 13 26.1 0.2 . 1 . . . . 111 LEU CD1 . 6514 1 1223 . 1 1 133 133 LEU CD2 C 13 22.4 0.2 . 1 . . . . 111 LEU CD2 . 6514 1 1224 . 1 1 133 133 LEU N N 15 119.3 0.2 . 1 . . . . 111 LEU N . 6514 1 1225 . 1 1 134 134 LEU H H 1 8.07 0.02 . 1 . . . . 112 LEU H . 6514 1 1226 . 1 1 134 134 LEU HA H 1 4.00 0.02 . 1 . . . . 112 LEU HA . 6514 1 1227 . 1 1 134 134 LEU HB2 H 1 2.14 0.02 . 2 . . . . 112 LEU HB2 . 6514 1 1228 . 1 1 134 134 LEU HB3 H 1 2.14 0.02 . 2 . . . . 112 LEU HB3 . 6514 1 1229 . 1 1 134 134 LEU HG H 1 1.66 0.02 . 1 . . . . 112 LEU HG . 6514 1 1230 . 1 1 134 134 LEU HD11 H 1 0.96 0.02 . 1 . . . . 112 LEU HD1 . 6514 1 1231 . 1 1 134 134 LEU HD12 H 1 0.96 0.02 . 1 . . . . 112 LEU HD1 . 6514 1 1232 . 1 1 134 134 LEU HD13 H 1 0.96 0.02 . 1 . . . . 112 LEU HD1 . 6514 1 1233 . 1 1 134 134 LEU HD21 H 1 0.78 0.02 . 1 . . . . 112 LEU HD2 . 6514 1 1234 . 1 1 134 134 LEU HD22 H 1 0.78 0.02 . 1 . . . . 112 LEU HD2 . 6514 1 1235 . 1 1 134 134 LEU HD23 H 1 0.78 0.02 . 1 . . . . 112 LEU HD2 . 6514 1 1236 . 1 1 134 134 LEU C C 13 177.0 0.2 . 1 . . . . 112 LEU C . 6514 1 1237 . 1 1 134 134 LEU CA C 13 57.3 0.2 . 1 . . . . 112 LEU CA . 6514 1 1238 . 1 1 134 134 LEU CB C 13 41.4 0.2 . 1 . . . . 112 LEU CB . 6514 1 1239 . 1 1 134 134 LEU CG C 13 27.6 0.2 . 1 . . . . 112 LEU CG . 6514 1 1240 . 1 1 134 134 LEU CD1 C 13 25.9 0.2 . 1 . . . . 112 LEU CD1 . 6514 1 1241 . 1 1 134 134 LEU CD2 C 13 23.4 0.2 . 1 . . . . 112 LEU CD2 . 6514 1 1242 . 1 1 134 134 LEU N N 15 117.8 0.2 . 1 . . . . 112 LEU N . 6514 1 1243 . 1 1 135 135 GLU H H 1 7.40 0.02 . 1 . . . . 113 GLU H . 6514 1 1244 . 1 1 135 135 GLU HA H 1 4.60 0.02 . 1 . . . . 113 GLU HA . 6514 1 1245 . 1 1 135 135 GLU HB2 H 1 1.83 0.02 . 2 . . . . 113 GLU HB2 . 6514 1 1246 . 1 1 135 135 GLU HB3 H 1 2.49 0.02 . 2 . . . . 113 GLU HB3 . 6514 1 1247 . 1 1 135 135 GLU HG2 H 1 2.19 0.02 . 2 . . . . 113 GLU HG2 . 6514 1 1248 . 1 1 135 135 GLU HG3 H 1 2.40 0.02 . 2 . . . . 113 GLU HG3 . 6514 1 1249 . 1 1 135 135 GLU C C 13 175.7 0.2 . 1 . . . . 113 GLU C . 6514 1 1250 . 1 1 135 135 GLU CA C 13 55.5 0.2 . 1 . . . . 113 GLU CA . 6514 1 1251 . 1 1 135 135 GLU CB C 13 29.2 0.2 . 1 . . . . 113 GLU CB . 6514 1 1252 . 1 1 135 135 GLU CG C 13 35.2 0.2 . 1 . . . . 113 GLU CG . 6514 1 1253 . 1 1 135 135 GLU N N 15 115.2 0.2 . 1 . . . . 113 GLU N . 6514 1 1254 . 1 1 136 136 ARG H H 1 6.59 0.02 . 1 . . . . 114 ARG H . 6514 1 1255 . 1 1 136 136 ARG HA H 1 4.10 0.02 . 1 . . . . 114 ARG HA . 6514 1 1256 . 1 1 136 136 ARG HB2 H 1 1.65 0.02 . 2 . . . . 114 ARG HB2 . 6514 1 1257 . 1 1 136 136 ARG HB3 H 1 1.75 0.02 . 2 . . . . 114 ARG HB3 . 6514 1 1258 . 1 1 136 136 ARG HG2 H 1 1.55 0.02 . 2 . . . . 114 ARG HG2 . 6514 1 1259 . 1 1 136 136 ARG HG3 H 1 1.55 0.02 . 2 . . . . 114 ARG HG3 . 6514 1 1260 . 1 1 136 136 ARG HD2 H 1 2.89 0.02 . 2 . . . . 114 ARG HD2 . 6514 1 1261 . 1 1 136 136 ARG HD3 H 1 3.36 0.02 . 2 . . . . 114 ARG HD3 . 6514 1 1262 . 1 1 136 136 ARG HE H 1 8.27 0.02 . 1 . . . . 114 ARG HE . 6514 1 1263 . 1 1 136 136 ARG C C 13 176.1 0.2 . 1 . . . . 114 ARG C . 6514 1 1264 . 1 1 136 136 ARG CA C 13 56.7 0.2 . 1 . . . . 114 ARG CA . 6514 1 1265 . 1 1 136 136 ARG CB C 13 32.4 0.2 . 1 . . . . 114 ARG CB . 6514 1 1266 . 1 1 136 136 ARG CG C 13 27.3 0.2 . 1 . . . . 114 ARG CG . 6514 1 1267 . 1 1 136 136 ARG CD C 13 43.1 0.2 . 1 . . . . 114 ARG CD . 6514 1 1268 . 1 1 136 136 ARG N N 15 117.3 0.2 . 1 . . . . 114 ARG N . 6514 1 1269 . 1 1 136 136 ARG NE N 15 84.1 0.2 . 1 . . . . 114 ARG NE . 6514 1 1270 . 1 1 137 137 GLU H H 1 8.59 0.02 . 1 . . . . 115 GLU H . 6514 1 1271 . 1 1 137 137 GLU HA H 1 4.13 0.02 . 1 . . . . 115 GLU HA . 6514 1 1272 . 1 1 137 137 GLU HB2 H 1 2.01 0.02 . 2 . . . . 115 GLU HB2 . 6514 1 1273 . 1 1 137 137 GLU HB3 H 1 2.15 0.02 . 2 . . . . 115 GLU HB3 . 6514 1 1274 . 1 1 137 137 GLU HG2 H 1 2.15 0.02 . 2 . . . . 115 GLU HG2 . 6514 1 1275 . 1 1 137 137 GLU HG3 H 1 2.15 0.02 . 2 . . . . 115 GLU HG3 . 6514 1 1276 . 1 1 137 137 GLU C C 13 175.9 0.2 . 1 . . . . 115 GLU C . 6514 1 1277 . 1 1 137 137 GLU CA C 13 55.6 0.2 . 1 . . . . 115 GLU CA . 6514 1 1278 . 1 1 137 137 GLU CB C 13 29.9 0.2 . 1 . . . . 115 GLU CB . 6514 1 1279 . 1 1 137 137 GLU CG C 13 36.1 0.2 . 1 . . . . 115 GLU CG . 6514 1 1280 . 1 1 137 137 GLU N N 15 121.5 0.2 . 1 . . . . 115 GLU N . 6514 1 1281 . 1 1 138 138 LEU H H 1 8.89 0.02 . 1 . . . . 116 LEU H . 6514 1 1282 . 1 1 138 138 LEU HA H 1 3.86 0.02 . 1 . . . . 116 LEU HA . 6514 1 1283 . 1 1 138 138 LEU HB2 H 1 1.42 0.02 . 2 . . . . 116 LEU HB2 . 6514 1 1284 . 1 1 138 138 LEU HB3 H 1 1.87 0.02 . 2 . . . . 116 LEU HB3 . 6514 1 1285 . 1 1 138 138 LEU HG H 1 1.61 0.02 . 1 . . . . 116 LEU HG . 6514 1 1286 . 1 1 138 138 LEU HD11 H 1 0.75 0.02 . 1 . . . . 116 LEU HD1 . 6514 1 1287 . 1 1 138 138 LEU HD12 H 1 0.75 0.02 . 1 . . . . 116 LEU HD1 . 6514 1 1288 . 1 1 138 138 LEU HD13 H 1 0.75 0.02 . 1 . . . . 116 LEU HD1 . 6514 1 1289 . 1 1 138 138 LEU HD21 H 1 0.44 0.02 . 1 . . . . 116 LEU HD2 . 6514 1 1290 . 1 1 138 138 LEU HD22 H 1 0.44 0.02 . 1 . . . . 116 LEU HD2 . 6514 1 1291 . 1 1 138 138 LEU HD23 H 1 0.44 0.02 . 1 . . . . 116 LEU HD2 . 6514 1 1292 . 1 1 138 138 LEU C C 13 178.3 0.2 . 1 . . . . 116 LEU C . 6514 1 1293 . 1 1 138 138 LEU CA C 13 58.2 0.2 . 1 . . . . 116 LEU CA . 6514 1 1294 . 1 1 138 138 LEU CB C 13 41.2 0.2 . 1 . . . . 116 LEU CB . 6514 1 1295 . 1 1 138 138 LEU CG C 13 27.6 0.2 . 1 . . . . 116 LEU CG . 6514 1 1296 . 1 1 138 138 LEU CD1 C 13 22.3 0.2 . 1 . . . . 116 LEU CD1 . 6514 1 1297 . 1 1 138 138 LEU CD2 C 13 26.8 0.2 . 1 . . . . 116 LEU CD2 . 6514 1 1298 . 1 1 138 138 LEU N N 15 121.5 0.2 . 1 . . . . 116 LEU N . 6514 1 1299 . 1 1 139 139 ALA H H 1 8.55 0.02 . 1 . . . . 117 ALA H . 6514 1 1300 . 1 1 139 139 ALA HA H 1 4.15 0.02 . 1 . . . . 117 ALA HA . 6514 1 1301 . 1 1 139 139 ALA HB1 H 1 1.37 0.02 . 1 . . . . 117 ALA HB . 6514 1 1302 . 1 1 139 139 ALA HB2 H 1 1.37 0.02 . 1 . . . . 117 ALA HB . 6514 1 1303 . 1 1 139 139 ALA HB3 H 1 1.37 0.02 . 1 . . . . 117 ALA HB . 6514 1 1304 . 1 1 139 139 ALA C C 13 177.6 0.2 . 1 . . . . 117 ALA C . 6514 1 1305 . 1 1 139 139 ALA CA C 13 54.1 0.2 . 1 . . . . 117 ALA CA . 6514 1 1306 . 1 1 139 139 ALA CB C 13 18.8 0.2 . 1 . . . . 117 ALA CB . 6514 1 1307 . 1 1 139 139 ALA N N 15 117.6 0.2 . 1 . . . . 117 ALA N . 6514 1 1308 . 1 1 140 140 LEU H H 1 7.91 0.02 . 1 . . . . 118 LEU H . 6514 1 1309 . 1 1 140 140 LEU HA H 1 4.43 0.02 . 1 . . . . 118 LEU HA . 6514 1 1310 . 1 1 140 140 LEU HB2 H 1 1.70 0.02 . 2 . . . . 118 LEU HB2 . 6514 1 1311 . 1 1 140 140 LEU HB3 H 1 1.70 0.02 . 2 . . . . 118 LEU HB3 . 6514 1 1312 . 1 1 140 140 LEU HG H 1 1.55 0.02 . 1 . . . . 118 LEU HG . 6514 1 1313 . 1 1 140 140 LEU HD11 H 1 0.93 0.02 . 1 . . . . 118 LEU HD1 . 6514 1 1314 . 1 1 140 140 LEU HD12 H 1 0.93 0.02 . 1 . . . . 118 LEU HD1 . 6514 1 1315 . 1 1 140 140 LEU HD13 H 1 0.93 0.02 . 1 . . . . 118 LEU HD1 . 6514 1 1316 . 1 1 140 140 LEU HD21 H 1 0.80 0.02 . 1 . . . . 118 LEU HD2 . 6514 1 1317 . 1 1 140 140 LEU HD22 H 1 0.80 0.02 . 1 . . . . 118 LEU HD2 . 6514 1 1318 . 1 1 140 140 LEU HD23 H 1 0.80 0.02 . 1 . . . . 118 LEU HD2 . 6514 1 1319 . 1 1 140 140 LEU C C 13 176.7 0.2 . 1 . . . . 118 LEU C . 6514 1 1320 . 1 1 140 140 LEU CA C 13 53.9 0.2 . 1 . . . . 118 LEU CA . 6514 1 1321 . 1 1 140 140 LEU CB C 13 42.6 0.2 . 1 . . . . 118 LEU CB . 6514 1 1322 . 1 1 140 140 LEU CG C 13 27.7 0.2 . 1 . . . . 118 LEU CG . 6514 1 1323 . 1 1 140 140 LEU CD1 C 13 25.6 0.2 . 1 . . . . 118 LEU CD1 . 6514 1 1324 . 1 1 140 140 LEU CD2 C 13 22.8 0.2 . 1 . . . . 118 LEU CD2 . 6514 1 1325 . 1 1 140 140 LEU N N 15 116.4 0.2 . 1 . . . . 118 LEU N . 6514 1 1326 . 1 1 141 141 LEU H H 1 7.63 0.02 . 1 . . . . 119 LEU H . 6514 1 1327 . 1 1 141 141 LEU HA H 1 4.41 0.02 . 1 . . . . 119 LEU HA . 6514 1 1328 . 1 1 141 141 LEU HB2 H 1 1.32 0.02 . 2 . . . . 119 LEU HB2 . 6514 1 1329 . 1 1 141 141 LEU HB3 H 1 1.92 0.02 . 2 . . . . 119 LEU HB3 . 6514 1 1330 . 1 1 141 141 LEU HG H 1 1.85 0.02 . 1 . . . . 119 LEU HG . 6514 1 1331 . 1 1 141 141 LEU HD11 H 1 0.59 0.02 . 1 . . . . 119 LEU HD1 . 6514 1 1332 . 1 1 141 141 LEU HD12 H 1 0.59 0.02 . 1 . . . . 119 LEU HD1 . 6514 1 1333 . 1 1 141 141 LEU HD13 H 1 0.59 0.02 . 1 . . . . 119 LEU HD1 . 6514 1 1334 . 1 1 141 141 LEU HD21 H 1 0.46 0.02 . 1 . . . . 119 LEU HD2 . 6514 1 1335 . 1 1 141 141 LEU HD22 H 1 0.46 0.02 . 1 . . . . 119 LEU HD2 . 6514 1 1336 . 1 1 141 141 LEU HD23 H 1 0.46 0.02 . 1 . . . . 119 LEU HD2 . 6514 1 1337 . 1 1 141 141 LEU C C 13 177.2 0.2 . 1 . . . . 119 LEU C . 6514 1 1338 . 1 1 141 141 LEU CA C 13 55.5 0.2 . 1 . . . . 119 LEU CA . 6514 1 1339 . 1 1 141 141 LEU CB C 13 40.3 0.2 . 1 . . . . 119 LEU CB . 6514 1 1340 . 1 1 141 141 LEU CG C 13 27.2 0.2 . 1 . . . . 119 LEU CG . 6514 1 1341 . 1 1 141 141 LEU CD1 C 13 25.0 0.2 . 1 . . . . 119 LEU CD1 . 6514 1 1342 . 1 1 141 141 LEU CD2 C 13 21.7 0.2 . 1 . . . . 119 LEU CD2 . 6514 1 1343 . 1 1 141 141 LEU N N 15 120.3 0.2 . 1 . . . . 119 LEU N . 6514 1 1344 . 1 1 142 142 VAL H H 1 10.11 0.02 . 1 . . . . 120 VAL H . 6514 1 1345 . 1 1 142 142 VAL HA H 1 4.18 0.02 . 1 . . . . 120 VAL HA . 6514 1 1346 . 1 1 142 142 VAL HB H 1 1.88 0.02 . 1 . . . . 120 VAL HB . 6514 1 1347 . 1 1 142 142 VAL HG11 H 1 0.89 0.02 . 1 . . . . 120 VAL HG1 . 6514 1 1348 . 1 1 142 142 VAL HG12 H 1 0.89 0.02 . 1 . . . . 120 VAL HG1 . 6514 1 1349 . 1 1 142 142 VAL HG13 H 1 0.89 0.02 . 1 . . . . 120 VAL HG1 . 6514 1 1350 . 1 1 142 142 VAL HG21 H 1 0.85 0.02 . 1 . . . . 120 VAL HG2 . 6514 1 1351 . 1 1 142 142 VAL HG22 H 1 0.85 0.02 . 1 . . . . 120 VAL HG2 . 6514 1 1352 . 1 1 142 142 VAL HG23 H 1 0.85 0.02 . 1 . . . . 120 VAL HG2 . 6514 1 1353 . 1 1 142 142 VAL C C 13 173.8 0.2 . 1 . . . . 120 VAL C . 6514 1 1354 . 1 1 142 142 VAL CA C 13 61.6 0.2 . 1 . . . . 120 VAL CA . 6514 1 1355 . 1 1 142 142 VAL CB C 13 35.2 0.2 . 1 . . . . 120 VAL CB . 6514 1 1356 . 1 1 142 142 VAL CG1 C 13 21.5 0.2 . 1 . . . . 120 VAL CG1 . 6514 1 1357 . 1 1 142 142 VAL CG2 C 13 21.2 0.2 . 1 . . . . 120 VAL CG2 . 6514 1 1358 . 1 1 142 142 VAL N N 15 124.3 0.2 . 1 . . . . 120 VAL N . 6514 1 1359 . 1 1 143 143 SER H H 1 8.05 0.02 . 1 . . . . 121 SER H . 6514 1 1360 . 1 1 143 143 SER HA H 1 4.42 0.02 . 1 . . . . 121 SER HA . 6514 1 1361 . 1 1 143 143 SER HB2 H 1 3.62 0.02 . 2 . . . . 121 SER HB2 . 6514 1 1362 . 1 1 143 143 SER HB3 H 1 3.78 0.02 . 2 . . . . 121 SER HB3 . 6514 1 1363 . 1 1 143 143 SER C C 13 175.8 0.2 . 1 . . . . 121 SER C . 6514 1 1364 . 1 1 143 143 SER CA C 13 56.9 0.2 . 1 . . . . 121 SER CA . 6514 1 1365 . 1 1 143 143 SER CB C 13 65.0 0.2 . 1 . . . . 121 SER CB . 6514 1 1366 . 1 1 143 143 SER N N 15 116.1 0.2 . 1 . . . . 121 SER N . 6514 1 1367 . 1 1 144 144 ALA H H 1 10.94 0.02 . 1 . . . . 122 ALA H . 6514 1 1368 . 1 1 144 144 ALA HA H 1 4.05 0.02 . 1 . . . . 122 ALA HA . 6514 1 1369 . 1 1 144 144 ALA HB1 H 1 1.11 0.02 . 1 . . . . 122 ALA HB . 6514 1 1370 . 1 1 144 144 ALA HB2 H 1 1.11 0.02 . 1 . . . . 122 ALA HB . 6514 1 1371 . 1 1 144 144 ALA HB3 H 1 1.11 0.02 . 1 . . . . 122 ALA HB . 6514 1 1372 . 1 1 144 144 ALA C C 13 178.2 0.2 . 1 . . . . 122 ALA C . 6514 1 1373 . 1 1 144 144 ALA CA C 13 53.3 0.2 . 1 . . . . 122 ALA CA . 6514 1 1374 . 1 1 144 144 ALA CB C 13 18.5 0.2 . 1 . . . . 122 ALA CB . 6514 1 1375 . 1 1 144 144 ALA N N 15 128.4 0.2 . 1 . . . . 122 ALA N . 6514 1 1376 . 1 1 145 145 HIS H H 1 7.95 0.02 . 1 . . . . 123 HIS H . 6514 1 1377 . 1 1 145 145 HIS HA H 1 4.55 0.02 . 1 . . . . 123 HIS HA . 6514 1 1378 . 1 1 145 145 HIS HB2 H 1 2.93 0.02 . 1 . . . . 123 HIS HB2 . 6514 1 1379 . 1 1 145 145 HIS HB3 H 1 3.08 0.02 . 1 . . . . 123 HIS HB3 . 6514 1 1380 . 1 1 145 145 HIS HD2 H 1 6.89 0.02 . 1 . . . . 123 HIS HD2 . 6514 1 1381 . 1 1 145 145 HIS CA C 13 56.0 0.2 . 1 . . . . 123 HIS CA . 6514 1 1382 . 1 1 145 145 HIS CB C 13 31.0 0.2 . 1 . . . . 123 HIS CB . 6514 1 1383 . 1 1 145 145 HIS CD2 C 13 119.7 0.2 . 1 . . . . 123 HIS CD2 . 6514 1 1384 . 1 1 145 145 HIS N N 15 116.5 0.2 . 1 . . . . 123 HIS N . 6514 1 1385 . 1 1 146 146 ASP HA H 1 4.54 0.02 . 1 . . . . 124 ASP HA . 6514 1 1386 . 1 1 146 146 ASP HB2 H 1 2.57 0.02 . 2 . . . . 124 ASP HB2 . 6514 1 1387 . 1 1 146 146 ASP HB3 H 1 2.72 0.02 . 2 . . . . 124 ASP HB3 . 6514 1 1388 . 1 1 146 146 ASP CA C 13 54.3 0.2 . 1 . . . . 124 ASP CA . 6514 1 1389 . 1 1 146 146 ASP CB C 13 41.3 0.2 . 1 . . . . 124 ASP CB . 6514 1 stop_ save_