data_34161 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34161 _Entry.Title ; Solution structure of the complex of TRPV5(655-725) with a Calmodulin E32Q/E68Q double mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-07-09 _Entry.Accession_date 2017-07-09 _Entry.Last_release_date 2018-04-16 _Entry.Original_release_date 2018-04-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34161 stop_ 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.ORCID _Entry_author.Entry_ID 1 G. Vuister G. W. . . 34161 2 F. Bokhovchuk F. M. . . 34161 3 N. Bate N. . . . 34161 4 N. Kovalevskaya N. . . . 34161 5 B. Goult B. T. . . 34161 6 C. Spronk C. A.E.M. . . 34161 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'MEMBRANE PROTEIN' . 34161 TRPV5 . 34161 'calcium channel' . 34161 calmodulin . 34161 dynamics . 34161 regulation . 34161 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34161 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 482 34161 '15N chemical shifts' 181 34161 '1H chemical shifts' 1103 34161 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 2 . . 2018-08-09 2017-07-09 update BMRB 'update entry citation' 34161 1 . . 2018-04-20 2017-07-09 original author 'original release' 34161 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5OEO . 34161 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34161 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/acs.biochem.7b01287 _Citation.PubMed_ID 29584409 _Citation.Full_citation . _Citation.Title ; The Structural Basis of Calcium Dependent Inactivation of the Transient Receptor Potential Vanilloid 5 Channel. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 57 _Citation.Journal_issue 18 _Citation.Journal_ASTM BICHAW _Citation.Journal_ISSN 1520-4995 _Citation.Journal_CSD 0033 _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 2623 _Citation.Page_last 2635 _Citation.Year 2018 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Bokhovchuk F. M. . . 34161 1 2 N. Bate N. . . . 34161 1 3 N. Kovalevskaya N. V. . . 34161 1 4 B. Goult B. T. . . 34161 1 5 C. Spronk C. A.E.M. . . 34161 1 6 G. Vuister G. W. . . 34161 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34161 _Assembly.ID 1 _Assembly.Name 'Calmodulin-1, Transient receptor potential cation channel subfamily V member 5' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _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 entity_1 1 $entity_1 A A yes . . . . . . 34161 1 2 entity_2 2 $entity_2 B C yes . . . . . . 34161 1 3 'entity_3, 1' 3 $entity_CA C A no . . . . . . 34161 1 4 'entity_3, 2' 3 $entity_CA D A no . . . . . . 34161 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34161 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SMADQLTEEQIAEFKEAFSL FDKDGDGTITTKQLGTVMRS LGQNPTEAELQDMINEVDAD GNGTIDFPQFLTMMARKMKD TDSEEEIREAFRVFDKDGNG YISAAELRHVMTNLGEKLTD EEVDEMIREADIDGDGQVNY EEFVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'E32Q, E68Q' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16937.652 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 SER . 34161 1 2 0 MET . 34161 1 3 1 ALA . 34161 1 4 2 ASP . 34161 1 5 3 GLN . 34161 1 6 4 LEU . 34161 1 7 5 THR . 34161 1 8 6 GLU . 34161 1 9 7 GLU . 34161 1 10 8 GLN . 34161 1 11 9 ILE . 34161 1 12 10 ALA . 34161 1 13 11 GLU . 34161 1 14 12 PHE . 34161 1 15 13 LYS . 34161 1 16 14 GLU . 34161 1 17 15 ALA . 34161 1 18 16 PHE . 34161 1 19 17 SER . 34161 1 20 18 LEU . 34161 1 21 19 PHE . 34161 1 22 20 ASP . 34161 1 23 21 LYS . 34161 1 24 22 ASP . 34161 1 25 23 GLY . 34161 1 26 24 ASP . 34161 1 27 25 GLY . 34161 1 28 26 THR . 34161 1 29 27 ILE . 34161 1 30 28 THR . 34161 1 31 29 THR . 34161 1 32 30 LYS . 34161 1 33 31 GLN . 34161 1 34 32 LEU . 34161 1 35 33 GLY . 34161 1 36 34 THR . 34161 1 37 35 VAL . 34161 1 38 36 MET . 34161 1 39 37 ARG . 34161 1 40 38 SER . 34161 1 41 39 LEU . 34161 1 42 40 GLY . 34161 1 43 41 GLN . 34161 1 44 42 ASN . 34161 1 45 43 PRO . 34161 1 46 44 THR . 34161 1 47 45 GLU . 34161 1 48 46 ALA . 34161 1 49 47 GLU . 34161 1 50 48 LEU . 34161 1 51 49 GLN . 34161 1 52 50 ASP . 34161 1 53 51 MET . 34161 1 54 52 ILE . 34161 1 55 53 ASN . 34161 1 56 54 GLU . 34161 1 57 55 VAL . 34161 1 58 56 ASP . 34161 1 59 57 ALA . 34161 1 60 58 ASP . 34161 1 61 59 GLY . 34161 1 62 60 ASN . 34161 1 63 61 GLY . 34161 1 64 62 THR . 34161 1 65 63 ILE . 34161 1 66 64 ASP . 34161 1 67 65 PHE . 34161 1 68 66 PRO . 34161 1 69 67 GLN . 34161 1 70 68 PHE . 34161 1 71 69 LEU . 34161 1 72 70 THR . 34161 1 73 71 MET . 34161 1 74 72 MET . 34161 1 75 73 ALA . 34161 1 76 74 ARG . 34161 1 77 75 LYS . 34161 1 78 76 MET . 34161 1 79 77 LYS . 34161 1 80 78 ASP . 34161 1 81 79 THR . 34161 1 82 80 ASP . 34161 1 83 81 SER . 34161 1 84 82 GLU . 34161 1 85 83 GLU . 34161 1 86 84 GLU . 34161 1 87 85 ILE . 34161 1 88 86 ARG . 34161 1 89 87 GLU . 34161 1 90 88 ALA . 34161 1 91 89 PHE . 34161 1 92 90 ARG . 34161 1 93 91 VAL . 34161 1 94 92 PHE . 34161 1 95 93 ASP . 34161 1 96 94 LYS . 34161 1 97 95 ASP . 34161 1 98 96 GLY . 34161 1 99 97 ASN . 34161 1 100 98 GLY . 34161 1 101 99 TYR . 34161 1 102 100 ILE . 34161 1 103 101 SER . 34161 1 104 102 ALA . 34161 1 105 103 ALA . 34161 1 106 104 GLU . 34161 1 107 105 LEU . 34161 1 108 106 ARG . 34161 1 109 107 HIS . 34161 1 110 108 VAL . 34161 1 111 109 MET . 34161 1 112 110 THR . 34161 1 113 111 ASN . 34161 1 114 112 LEU . 34161 1 115 113 GLY . 34161 1 116 114 GLU . 34161 1 117 115 LYS . 34161 1 118 116 LEU . 34161 1 119 117 THR . 34161 1 120 118 ASP . 34161 1 121 119 GLU . 34161 1 122 120 GLU . 34161 1 123 121 VAL . 34161 1 124 122 ASP . 34161 1 125 123 GLU . 34161 1 126 124 MET . 34161 1 127 125 ILE . 34161 1 128 126 ARG . 34161 1 129 127 GLU . 34161 1 130 128 ALA . 34161 1 131 129 ASP . 34161 1 132 130 ILE . 34161 1 133 131 ASP . 34161 1 134 132 GLY . 34161 1 135 133 ASP . 34161 1 136 134 GLY . 34161 1 137 135 GLN . 34161 1 138 136 VAL . 34161 1 139 137 ASN . 34161 1 140 138 TYR . 34161 1 141 139 GLU . 34161 1 142 140 GLU . 34161 1 143 141 PHE . 34161 1 144 142 VAL . 34161 1 145 143 GLN . 34161 1 146 144 MET . 34161 1 147 145 MET . 34161 1 148 146 THR . 34161 1 149 147 ALA . 34161 1 150 148 LYS . 34161 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 . SER 1 1 34161 1 . MET 2 2 34161 1 . ALA 3 3 34161 1 . ASP 4 4 34161 1 . GLN 5 5 34161 1 . LEU 6 6 34161 1 . THR 7 7 34161 1 . GLU 8 8 34161 1 . GLU 9 9 34161 1 . GLN 10 10 34161 1 . ILE 11 11 34161 1 . ALA 12 12 34161 1 . GLU 13 13 34161 1 . PHE 14 14 34161 1 . LYS 15 15 34161 1 . GLU 16 16 34161 1 . ALA 17 17 34161 1 . PHE 18 18 34161 1 . SER 19 19 34161 1 . LEU 20 20 34161 1 . PHE 21 21 34161 1 . ASP 22 22 34161 1 . LYS 23 23 34161 1 . ASP 24 24 34161 1 . GLY 25 25 34161 1 . ASP 26 26 34161 1 . GLY 27 27 34161 1 . THR 28 28 34161 1 . ILE 29 29 34161 1 . THR 30 30 34161 1 . THR 31 31 34161 1 . LYS 32 32 34161 1 . GLN 33 33 34161 1 . LEU 34 34 34161 1 . GLY 35 35 34161 1 . THR 36 36 34161 1 . VAL 37 37 34161 1 . MET 38 38 34161 1 . ARG 39 39 34161 1 . SER 40 40 34161 1 . LEU 41 41 34161 1 . GLY 42 42 34161 1 . GLN 43 43 34161 1 . ASN 44 44 34161 1 . PRO 45 45 34161 1 . THR 46 46 34161 1 . GLU 47 47 34161 1 . ALA 48 48 34161 1 . GLU 49 49 34161 1 . LEU 50 50 34161 1 . GLN 51 51 34161 1 . ASP 52 52 34161 1 . MET 53 53 34161 1 . ILE 54 54 34161 1 . ASN 55 55 34161 1 . GLU 56 56 34161 1 . VAL 57 57 34161 1 . ASP 58 58 34161 1 . ALA 59 59 34161 1 . ASP 60 60 34161 1 . GLY 61 61 34161 1 . ASN 62 62 34161 1 . GLY 63 63 34161 1 . THR 64 64 34161 1 . ILE 65 65 34161 1 . ASP 66 66 34161 1 . PHE 67 67 34161 1 . PRO 68 68 34161 1 . GLN 69 69 34161 1 . PHE 70 70 34161 1 . LEU 71 71 34161 1 . THR 72 72 34161 1 . MET 73 73 34161 1 . MET 74 74 34161 1 . ALA 75 75 34161 1 . ARG 76 76 34161 1 . LYS 77 77 34161 1 . MET 78 78 34161 1 . LYS 79 79 34161 1 . ASP 80 80 34161 1 . THR 81 81 34161 1 . ASP 82 82 34161 1 . SER 83 83 34161 1 . GLU 84 84 34161 1 . GLU 85 85 34161 1 . GLU 86 86 34161 1 . ILE 87 87 34161 1 . ARG 88 88 34161 1 . GLU 89 89 34161 1 . ALA 90 90 34161 1 . PHE 91 91 34161 1 . ARG 92 92 34161 1 . VAL 93 93 34161 1 . PHE 94 94 34161 1 . ASP 95 95 34161 1 . LYS 96 96 34161 1 . ASP 97 97 34161 1 . GLY 98 98 34161 1 . ASN 99 99 34161 1 . GLY 100 100 34161 1 . TYR 101 101 34161 1 . ILE 102 102 34161 1 . SER 103 103 34161 1 . ALA 104 104 34161 1 . ALA 105 105 34161 1 . GLU 106 106 34161 1 . LEU 107 107 34161 1 . ARG 108 108 34161 1 . HIS 109 109 34161 1 . VAL 110 110 34161 1 . MET 111 111 34161 1 . THR 112 112 34161 1 . ASN 113 113 34161 1 . LEU 114 114 34161 1 . GLY 115 115 34161 1 . GLU 116 116 34161 1 . LYS 117 117 34161 1 . LEU 118 118 34161 1 . THR 119 119 34161 1 . ASP 120 120 34161 1 . GLU 121 121 34161 1 . GLU 122 122 34161 1 . VAL 123 123 34161 1 . ASP 124 124 34161 1 . GLU 125 125 34161 1 . MET 126 126 34161 1 . ILE 127 127 34161 1 . ARG 128 128 34161 1 . GLU 129 129 34161 1 . ALA 130 130 34161 1 . ASP 131 131 34161 1 . ILE 132 132 34161 1 . ASP 133 133 34161 1 . GLY 134 134 34161 1 . ASP 135 135 34161 1 . GLY 136 136 34161 1 . GLN 137 137 34161 1 . VAL 138 138 34161 1 . ASN 139 139 34161 1 . TYR 140 140 34161 1 . GLU 141 141 34161 1 . GLU 142 142 34161 1 . PHE 143 143 34161 1 . VAL 144 144 34161 1 . GLN 145 145 34161 1 . MET 146 146 34161 1 . MET 147 147 34161 1 . THR 148 148 34161 1 . ALA 149 149 34161 1 . LYS 150 150 34161 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34161 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GADKEDDQEHPSEKQPSGAE SGTLARASLALPTSSLSRTA SQSSSHRGWEILRQNTLGHL NLGLNLSEGDGEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7722.194 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CaT2 na 34161 2 'Calcium transport protein 2' na 34161 2 ECaC1 na 34161 2 'Epithelial calcium channel 1' na 34161 2 OTRPC3 na 34161 2 'Osm-9-like TRP channel 3' na 34161 2 TrpV5 na 34161 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 653 GLY . 34161 2 2 654 ALA . 34161 2 3 655 ASP . 34161 2 4 656 LYS . 34161 2 5 657 GLU . 34161 2 6 658 ASP . 34161 2 7 659 ASP . 34161 2 8 660 GLN . 34161 2 9 661 GLU . 34161 2 10 662 HIS . 34161 2 11 663 PRO . 34161 2 12 664 SER . 34161 2 13 665 GLU . 34161 2 14 666 LYS . 34161 2 15 667 GLN . 34161 2 16 668 PRO . 34161 2 17 669 SER . 34161 2 18 670 GLY . 34161 2 19 671 ALA . 34161 2 20 672 GLU . 34161 2 21 673 SER . 34161 2 22 674 GLY . 34161 2 23 675 THR . 34161 2 24 676 LEU . 34161 2 25 677 ALA . 34161 2 26 678 ARG . 34161 2 27 679 ALA . 34161 2 28 680 SER . 34161 2 29 681 LEU . 34161 2 30 682 ALA . 34161 2 31 683 LEU . 34161 2 32 684 PRO . 34161 2 33 685 THR . 34161 2 34 686 SER . 34161 2 35 687 SER . 34161 2 36 688 LEU . 34161 2 37 689 SER . 34161 2 38 690 ARG . 34161 2 39 691 THR . 34161 2 40 692 ALA . 34161 2 41 693 SER . 34161 2 42 694 GLN . 34161 2 43 695 SER . 34161 2 44 696 SER . 34161 2 45 697 SER . 34161 2 46 698 HIS . 34161 2 47 699 ARG . 34161 2 48 700 GLY . 34161 2 49 701 TRP . 34161 2 50 702 GLU . 34161 2 51 703 ILE . 34161 2 52 704 LEU . 34161 2 53 705 ARG . 34161 2 54 706 GLN . 34161 2 55 707 ASN . 34161 2 56 708 THR . 34161 2 57 709 LEU . 34161 2 58 710 GLY . 34161 2 59 711 HIS . 34161 2 60 712 LEU . 34161 2 61 713 ASN . 34161 2 62 714 LEU . 34161 2 63 715 GLY . 34161 2 64 716 LEU . 34161 2 65 717 ASN . 34161 2 66 718 LEU . 34161 2 67 719 SER . 34161 2 68 720 GLU . 34161 2 69 721 GLY . 34161 2 70 722 ASP . 34161 2 71 723 GLY . 34161 2 72 724 GLU . 34161 2 73 725 GLU . 34161 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34161 2 . ALA 2 2 34161 2 . ASP 3 3 34161 2 . LYS 4 4 34161 2 . GLU 5 5 34161 2 . ASP 6 6 34161 2 . ASP 7 7 34161 2 . GLN 8 8 34161 2 . GLU 9 9 34161 2 . HIS 10 10 34161 2 . PRO 11 11 34161 2 . SER 12 12 34161 2 . GLU 13 13 34161 2 . LYS 14 14 34161 2 . GLN 15 15 34161 2 . PRO 16 16 34161 2 . SER 17 17 34161 2 . GLY 18 18 34161 2 . ALA 19 19 34161 2 . GLU 20 20 34161 2 . SER 21 21 34161 2 . GLY 22 22 34161 2 . THR 23 23 34161 2 . LEU 24 24 34161 2 . ALA 25 25 34161 2 . ARG 26 26 34161 2 . ALA 27 27 34161 2 . SER 28 28 34161 2 . LEU 29 29 34161 2 . ALA 30 30 34161 2 . LEU 31 31 34161 2 . PRO 32 32 34161 2 . THR 33 33 34161 2 . SER 34 34 34161 2 . SER 35 35 34161 2 . LEU 36 36 34161 2 . SER 37 37 34161 2 . ARG 38 38 34161 2 . THR 39 39 34161 2 . ALA 40 40 34161 2 . SER 41 41 34161 2 . GLN 42 42 34161 2 . SER 43 43 34161 2 . SER 44 44 34161 2 . SER 45 45 34161 2 . HIS 46 46 34161 2 . ARG 47 47 34161 2 . GLY 48 48 34161 2 . TRP 49 49 34161 2 . GLU 50 50 34161 2 . ILE 51 51 34161 2 . LEU 52 52 34161 2 . ARG 53 53 34161 2 . GLN 54 54 34161 2 . ASN 55 55 34161 2 . THR 56 56 34161 2 . LEU 57 57 34161 2 . GLY 58 58 34161 2 . HIS 59 59 34161 2 . LEU 60 60 34161 2 . ASN 61 61 34161 2 . LEU 62 62 34161 2 . GLY 63 63 34161 2 . LEU 64 64 34161 2 . ASN 65 65 34161 2 . LEU 66 66 34161 2 . SER 67 67 34161 2 . GLU 68 68 34161 2 . GLY 69 69 34161 2 . ASP 70 70 34161 2 . GLY 71 71 34161 2 . GLU 72 72 34161 2 . GLU 73 73 34161 2 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 34161 _Entity.ID 3 _Entity.BMRB_code CA _Entity.Name entity_CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 34161 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 34161 3 CA 'Three letter code' 34161 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 34161 3 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 34161 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'CALM1, CALM, CAM, CAM1' . 34161 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'TRPV5, ECAC1' . 34161 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 34161 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21' . . 511693 . . . . . . . . . . . . 34161 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli BL21' . . 511693 . . . . . . . . . . . . 34161 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 34161 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 34161 CA InChI=1S/Ca/q+2 InChI InChI 1.03 34161 CA [Ca++] SMILES CACTVS 3.341 34161 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 34161 CA [Ca+2] SMILES ACDLabs 10.04 34161 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 34161 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34161 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 34161 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34161 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 34161 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34161 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '220 uM 13C/15N Calmodulin, 220 uM hTRPV5(655-725), 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _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 Calmodulin '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 220 . . uM 0.05 . . . 34161 1 2 hTRPV5(655-725) 'natural abundance' . . 2 $entity_2 . . 220 . . uM 0.05 . . . 34161 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34161 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '380 uM [U-99% 15N] Calmodulin, 380 uM [U-99% 13C; U-99% 15N] hTRPV5(655-725), 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _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 Calmodulin '[U-99% 15N]' . . 1 $entity_1 . . 380 . . uM 0.05 . . . 34161 2 2 hTRPV5(655-725) '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 380 . . uM 0.05 . . . 34161 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34161 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 84 0.01 mM 34161 1 pH 7.4 0.1 pH 34161 1 pressure 1 0.1 atm 34161 1 temperature 308 0.1 K 34161 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34161 _Software.ID 1 _Software.Type . _Software.Name Analysis _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34161 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34161 1 'peak picking' 34161 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34161 _Software.ID 2 _Software.Type . _Software.Name AnalysisAssign _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34161 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34161 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34161 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version 3.97 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34161 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34161 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34161 _Software.ID 4 _Software.Type . _Software.Name YASARA _Software.Version 15.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yasara Biosciences; Krieger et al.' . . 34161 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34161 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34161 _Software.ID 5 _Software.Type . _Software.Name NMRPipe _Software.Version 7.9 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 34161 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34161 5 processing 34161 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34161 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVI _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34161 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34161 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34161 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVI . 500 . . . 34161 1 2 NMR_spectrometer_2 Bruker AVIII . 600 . . . 34161 1 3 NMR_spectrometer_3 Bruker AVII . 800 . . . 34161 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34161 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34161 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34161 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34161 1 4 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34161 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34161 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34161 1 H 1 HDO H . . . . ppm 4.677 internal direct 1.0 . . . . . 34161 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34161 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34161 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.025 _Assigned_chem_shift_list.Chem_shift_15N_err 0.001 _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 '3D 1H-15N NOESY' . . . 34161 1 2 '3D 1H-13C NOESY aliphatic' . . . 34161 1 3 '3D 1H-13C NOESY aromatic' . . . 34161 1 4 '3D 1H-13C NOESY aliphatic' . . . 34161 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ALA HA H 1 4.193 0.008 . 1 . . . . A 1 ALA HA . 34161 1 2 . 1 1 3 3 ALA HB1 H 1 1.355 0.005 . 1 . . . . A 1 ALA HB1 . 34161 1 3 . 1 1 3 3 ALA HB2 H 1 1.355 0.005 . 1 . . . . A 1 ALA HB2 . 34161 1 4 . 1 1 3 3 ALA HB3 H 1 1.355 0.005 . 1 . . . . A 1 ALA HB3 . 34161 1 5 . 1 1 3 3 ALA CA C 13 54.368 0.03 . 1 . . . . A 1 ALA CA . 34161 1 6 . 1 1 3 3 ALA CB C 13 20.004 0 . 1 . . . . A 1 ALA CB . 34161 1 7 . 1 1 4 4 ASP H H 1 7.973 0.002 . 1 . . . . A 2 ASP H . 34161 1 8 . 1 1 4 4 ASP HA H 1 4.541 0.013 . 1 . . . . A 2 ASP HA . 34161 1 9 . 1 1 4 4 ASP HB2 H 1 2.719 0.008 . 2 . . . . A 2 ASP HB2 . 34161 1 10 . 1 1 4 4 ASP HB3 H 1 2.719 0.008 . 2 . . . . A 2 ASP HB3 . 34161 1 11 . 1 1 4 4 ASP CA C 13 55.967 0 . 1 . . . . A 2 ASP CA . 34161 1 12 . 1 1 4 4 ASP CB C 13 41.909 0 . 1 . . . . A 2 ASP CB . 34161 1 13 . 1 1 4 4 ASP N N 15 117.259 0.018 . 1 . . . . A 2 ASP N . 34161 1 14 . 1 1 5 5 GLN H H 1 7.92 0.003 . 1 . . . . A 3 GLN H . 34161 1 15 . 1 1 5 5 GLN HA H 1 4.379 0.007 . 1 . . . . A 3 GLN HA . 34161 1 16 . 1 1 5 5 GLN HB2 H 1 2.216 0.012 . 2 . . . . A 3 GLN HB2 . 34161 1 17 . 1 1 5 5 GLN HB3 H 1 2.033 0.014 . 2 . . . . A 3 GLN HB3 . 34161 1 18 . 1 1 5 5 GLN HG2 H 1 2.38 0.019 . 2 . . . . A 3 GLN HG2 . 34161 1 19 . 1 1 5 5 GLN HG3 H 1 2.369 0.004 . 2 . . . . A 3 GLN HG3 . 34161 1 20 . 1 1 5 5 GLN CA C 13 56.738 0.033 . 1 . . . . A 3 GLN CA . 34161 1 21 . 1 1 5 5 GLN CB C 13 30.923 0.037 . 1 . . . . A 3 GLN CB . 34161 1 22 . 1 1 5 5 GLN CG C 13 32.737 0.023 . 1 . . . . A 3 GLN CG . 34161 1 23 . 1 1 5 5 GLN N N 15 117.622 0.03 . 1 . . . . A 3 GLN N . 34161 1 24 . 1 1 6 6 LEU H H 1 7.855 0.001 . 1 . . . . A 4 LEU H . 34161 1 25 . 1 1 6 6 LEU HB2 H 1 1.811 0.008 . 2 . . . . A 4 LEU HB2 . 34161 1 26 . 1 1 6 6 LEU HB3 H 1 1.473 0.015 . 2 . . . . A 4 LEU HB3 . 34161 1 27 . 1 1 6 6 LEU HG H 1 1.793 0.026 . 1 . . . . A 4 LEU HG . 34161 1 28 . 1 1 6 6 LEU HD11 H 1 0.956 0.008 . 2 . . . . A 4 LEU HD11 . 34161 1 29 . 1 1 6 6 LEU HD12 H 1 0.956 0.008 . 2 . . . . A 4 LEU HD12 . 34161 1 30 . 1 1 6 6 LEU HD13 H 1 0.956 0.008 . 2 . . . . A 4 LEU HD13 . 34161 1 31 . 1 1 6 6 LEU HD21 H 1 0.926 0.006 . 2 . . . . A 4 LEU HD21 . 34161 1 32 . 1 1 6 6 LEU HD22 H 1 0.926 0.006 . 2 . . . . A 4 LEU HD22 . 34161 1 33 . 1 1 6 6 LEU HD23 H 1 0.926 0.006 . 2 . . . . A 4 LEU HD23 . 34161 1 34 . 1 1 6 6 LEU CB C 13 44.728 0.046 . 1 . . . . A 4 LEU CB . 34161 1 35 . 1 1 6 6 LEU CG C 13 28.485 0.012 . 1 . . . . A 4 LEU CG . 34161 1 36 . 1 1 6 6 LEU CD1 C 13 28.195 0.017 . 1 . . . . A 4 LEU CD1 . 34161 1 37 . 1 1 6 6 LEU CD2 C 13 24.846 0.029 . 1 . . . . A 4 LEU CD2 . 34161 1 38 . 1 1 6 6 LEU N N 15 120.806 0.002 . 1 . . . . A 4 LEU N . 34161 1 39 . 1 1 7 7 THR H H 1 8.714 0.005 . 1 . . . . A 5 THR H . 34161 1 40 . 1 1 7 7 THR HA H 1 4.5 0 . 1 . . . . A 5 THR HA . 34161 1 41 . 1 1 7 7 THR HG21 H 1 1.385 0.02 . 1 . . . . A 5 THR HG21 . 34161 1 42 . 1 1 7 7 THR HG22 H 1 1.385 0.02 . 1 . . . . A 5 THR HG22 . 34161 1 43 . 1 1 7 7 THR HG23 H 1 1.385 0.02 . 1 . . . . A 5 THR HG23 . 34161 1 44 . 1 1 7 7 THR CA C 13 61.419 0.032 . 1 . . . . A 5 THR CA . 34161 1 45 . 1 1 7 7 THR CG2 C 13 23.027 0.042 . 1 . . . . A 5 THR CG2 . 34161 1 46 . 1 1 7 7 THR N N 15 112.577 0.079 . 1 . . . . A 5 THR N . 34161 1 47 . 1 1 8 8 GLU H H 1 9 0.002 . 1 . . . . A 6 GLU H . 34161 1 48 . 1 1 8 8 GLU HA H 1 3.975 0.003 . 1 . . . . A 6 GLU HA . 34161 1 49 . 1 1 8 8 GLU HB2 H 1 2.016 0.048 . 2 . . . . A 6 GLU HB2 . 34161 1 50 . 1 1 8 8 GLU HB3 H 1 2.016 0.048 . 2 . . . . A 6 GLU HB3 . 34161 1 51 . 1 1 8 8 GLU HG2 H 1 2.317 0.022 . 2 . . . . A 6 GLU HG2 . 34161 1 52 . 1 1 8 8 GLU HG3 H 1 2.317 0.022 . 2 . . . . A 6 GLU HG3 . 34161 1 53 . 1 1 8 8 GLU CA C 13 61.083 0.037 . 1 . . . . A 6 GLU CA . 34161 1 54 . 1 1 8 8 GLU CB C 13 30.261 0.02 . 1 . . . . A 6 GLU CB . 34161 1 55 . 1 1 8 8 GLU CG C 13 38.035 0.045 . 1 . . . . A 6 GLU CG . 34161 1 56 . 1 1 8 8 GLU N N 15 120.438 0.18 . 1 . . . . A 6 GLU N . 34161 1 57 . 1 1 9 9 GLU H H 1 8.681 0.003 . 1 . . . . A 7 GLU H . 34161 1 58 . 1 1 9 9 GLU HA H 1 4.067 0.009 . 1 . . . . A 7 GLU HA . 34161 1 59 . 1 1 9 9 GLU HB2 H 1 1.961 0.018 . 2 . . . . A 7 GLU HB2 . 34161 1 60 . 1 1 9 9 GLU HB3 H 1 1.962 0.017 . 2 . . . . A 7 GLU HB3 . 34161 1 61 . 1 1 9 9 GLU HG2 H 1 2.37 0.019 . 2 . . . . A 7 GLU HG2 . 34161 1 62 . 1 1 9 9 GLU HG3 H 1 2.37 0.019 . 2 . . . . A 7 GLU HG3 . 34161 1 63 . 1 1 9 9 GLU CA C 13 61.05 0.018 . 1 . . . . A 7 GLU CA . 34161 1 64 . 1 1 9 9 GLU CB C 13 30.066 0.053 . 1 . . . . A 7 GLU CB . 34161 1 65 . 1 1 9 9 GLU CG C 13 38.059 0.033 . 1 . . . . A 7 GLU CG . 34161 1 66 . 1 1 9 9 GLU N N 15 119.36 0.042 . 1 . . . . A 7 GLU N . 34161 1 67 . 1 1 10 10 GLN H H 1 7.705 0.002 . 1 . . . . A 8 GLN H . 34161 1 68 . 1 1 10 10 GLN HA H 1 3.805 0.007 . 1 . . . . A 8 GLN HA . 34161 1 69 . 1 1 10 10 GLN HB2 H 1 1.889 0.419 . 2 . . . . A 8 GLN HB2 . 34161 1 70 . 1 1 10 10 GLN HB3 H 1 1.627 0.3 . 2 . . . . A 8 GLN HB3 . 34161 1 71 . 1 1 10 10 GLN HG2 H 1 2.264 0.005 . 2 . . . . A 8 GLN HG2 . 34161 1 72 . 1 1 10 10 GLN HG3 H 1 2.352 0.039 . 2 . . . . A 8 GLN HG3 . 34161 1 73 . 1 1 10 10 GLN HE21 H 1 7.499 0.005 . 2 . . . . A 8 GLN HE21 . 34161 1 74 . 1 1 10 10 GLN HE22 H 1 6.723 0.001 . 2 . . . . A 8 GLN HE22 . 34161 1 75 . 1 1 10 10 GLN CA C 13 59.688 0.008 . 1 . . . . A 8 GLN CA . 34161 1 76 . 1 1 10 10 GLN CB C 13 30.164 0.068 . 1 . . . . A 8 GLN CB . 34161 1 77 . 1 1 10 10 GLN CG C 13 35.89 0.034 . 1 . . . . A 8 GLN CG . 34161 1 78 . 1 1 10 10 GLN N N 15 120.398 0.045 . 1 . . . . A 8 GLN N . 34161 1 79 . 1 1 10 10 GLN NE2 N 15 112.175 0.007 . 1 . . . . A 8 GLN NE2 . 34161 1 80 . 1 1 11 11 ILE H H 1 8.254 0.002 . 1 . . . . A 9 ILE H . 34161 1 81 . 1 1 11 11 ILE HA H 1 3.524 0.002 . 1 . . . . A 9 ILE HA . 34161 1 82 . 1 1 11 11 ILE HB H 1 1.886 0.004 . 1 . . . . A 9 ILE HB . 34161 1 83 . 1 1 11 11 ILE HG12 H 1 1.842 0.007 . 2 . . . . A 9 ILE HG12 . 34161 1 84 . 1 1 11 11 ILE HG13 H 1 0.762 0.014 . 2 . . . . A 9 ILE HG13 . 34161 1 85 . 1 1 11 11 ILE HG21 H 1 0.951 0.017 . 1 . . . . A 9 ILE HG21 . 34161 1 86 . 1 1 11 11 ILE HG22 H 1 0.951 0.017 . 1 . . . . A 9 ILE HG22 . 34161 1 87 . 1 1 11 11 ILE HG23 H 1 0.951 0.017 . 1 . . . . A 9 ILE HG23 . 34161 1 88 . 1 1 11 11 ILE HD11 H 1 1.147 0.001 . 1 . . . . A 9 ILE HD11 . 34161 1 89 . 1 1 11 11 ILE HD12 H 1 1.147 0.001 . 1 . . . . A 9 ILE HD12 . 34161 1 90 . 1 1 11 11 ILE HD13 H 1 1.147 0.001 . 1 . . . . A 9 ILE HD13 . 34161 1 91 . 1 1 11 11 ILE CA C 13 67.713 0.024 . 1 . . . . A 9 ILE CA . 34161 1 92 . 1 1 11 11 ILE CB C 13 39.171 0.013 . 1 . . . . A 9 ILE CB . 34161 1 93 . 1 1 11 11 ILE CG1 C 13 32.223 0.064 . 1 . . . . A 9 ILE CG1 . 34161 1 94 . 1 1 11 11 ILE CG2 C 13 18.588 0.031 . 1 . . . . A 9 ILE CG2 . 34161 1 95 . 1 1 11 11 ILE CD1 C 13 18.373 0.029 . 1 . . . . A 9 ILE CD1 . 34161 1 96 . 1 1 11 11 ILE N N 15 118.531 0.014 . 1 . . . . A 9 ILE N . 34161 1 97 . 1 1 12 12 ALA H H 1 7.996 0.002 . 1 . . . . A 10 ALA H . 34161 1 98 . 1 1 12 12 ALA HA H 1 4.168 0.006 . 1 . . . . A 10 ALA HA . 34161 1 99 . 1 1 12 12 ALA HB1 H 1 1.538 0.005 . 1 . . . . A 10 ALA HB1 . 34161 1 100 . 1 1 12 12 ALA HB2 H 1 1.538 0.005 . 1 . . . . A 10 ALA HB2 . 34161 1 101 . 1 1 12 12 ALA HB3 H 1 1.538 0.005 . 1 . . . . A 10 ALA HB3 . 34161 1 102 . 1 1 12 12 ALA CA C 13 56.42 0.034 . 1 . . . . A 10 ALA CA . 34161 1 103 . 1 1 12 12 ALA CB C 13 19.101 0.068 . 1 . . . . A 10 ALA CB . 34161 1 104 . 1 1 12 12 ALA N N 15 120.604 0.038 . 1 . . . . A 10 ALA N . 34161 1 105 . 1 1 13 13 GLU H H 1 7.787 0 . 1 . . . . A 11 GLU H . 34161 1 106 . 1 1 13 13 GLU HA H 1 4.171 0.009 . 1 . . . . A 11 GLU HA . 34161 1 107 . 1 1 13 13 GLU HB2 H 1 2.081 0.002 . 2 . . . . A 11 GLU HB2 . 34161 1 108 . 1 1 13 13 GLU HB3 H 1 2.081 0.002 . 2 . . . . A 11 GLU HB3 . 34161 1 109 . 1 1 13 13 GLU HG2 H 1 2.428 0.011 . 2 . . . . A 11 GLU HG2 . 34161 1 110 . 1 1 13 13 GLU HG3 H 1 2.428 0.011 . 2 . . . . A 11 GLU HG3 . 34161 1 111 . 1 1 13 13 GLU CA C 13 60.455 0.075 . 1 . . . . A 11 GLU CA . 34161 1 112 . 1 1 13 13 GLU CB C 13 30.413 0 . 1 . . . . A 11 GLU CB . 34161 1 113 . 1 1 13 13 GLU CG C 13 37.731 0 . 1 . . . . A 11 GLU CG . 34161 1 114 . 1 1 13 13 GLU N N 15 120.085 0.017 . 1 . . . . A 11 GLU N . 34161 1 115 . 1 1 14 14 PHE H H 1 8.607 0.003 . 1 . . . . A 12 PHE H . 34161 1 116 . 1 1 14 14 PHE HA H 1 4.956 0.012 . 1 . . . . A 12 PHE HA . 34161 1 117 . 1 1 14 14 PHE HB2 H 1 3.68 0.005 . 2 . . . . A 12 PHE HB2 . 34161 1 118 . 1 1 14 14 PHE HB3 H 1 3.538 0.011 . 2 . . . . A 12 PHE HB3 . 34161 1 119 . 1 1 14 14 PHE HD1 H 1 7.196 0 . 1 . . . . A 12 PHE HD1 . 34161 1 120 . 1 1 14 14 PHE HD2 H 1 7.196 0 . 1 . . . . A 12 PHE HD2 . 34161 1 121 . 1 1 14 14 PHE HE1 H 1 7.361 0 . 1 . . . . A 12 PHE HE1 . 34161 1 122 . 1 1 14 14 PHE HE2 H 1 7.361 0 . 1 . . . . A 12 PHE HE2 . 34161 1 123 . 1 1 14 14 PHE CA C 13 59.605 0.076 . 1 . . . . A 12 PHE CA . 34161 1 124 . 1 1 14 14 PHE CB C 13 38.152 0.045 . 1 . . . . A 12 PHE CB . 34161 1 125 . 1 1 14 14 PHE CD2 C 13 131.01 0 . 1 . . . . A 12 PHE CD2 . 34161 1 126 . 1 1 14 14 PHE CE2 C 13 131.291 0 . 1 . . . . A 12 PHE CE2 . 34161 1 127 . 1 1 14 14 PHE N N 15 120.085 0.023 . 1 . . . . A 12 PHE N . 34161 1 128 . 1 1 15 15 LYS H H 1 9.287 0.002 . 1 . . . . A 13 LYS H . 34161 1 129 . 1 1 15 15 LYS HA H 1 3.786 0.012 . 1 . . . . A 13 LYS HA . 34161 1 130 . 1 1 15 15 LYS HB2 H 1 1.819 0.008 . 1 . . . . A 13 LYS HB2 . 34161 1 131 . 1 1 15 15 LYS HB3 H 1 1.952 0.011 . 1 . . . . A 13 LYS HB3 . 34161 1 132 . 1 1 15 15 LYS HG2 H 1 1.143 0.008 . 2 . . . . A 13 LYS HG2 . 34161 1 133 . 1 1 15 15 LYS HG3 H 1 0.826 0.01 . 2 . . . . A 13 LYS HG3 . 34161 1 134 . 1 1 15 15 LYS HD2 H 1 1.325 0.012 . 2 . . . . A 13 LYS HD2 . 34161 1 135 . 1 1 15 15 LYS HD3 H 1 1.233 0.014 . 2 . . . . A 13 LYS HD3 . 34161 1 136 . 1 1 15 15 LYS HE2 H 1 2.688 0.009 . 2 . . . . A 13 LYS HE2 . 34161 1 137 . 1 1 15 15 LYS HE3 H 1 2.688 0.009 . 2 . . . . A 13 LYS HE3 . 34161 1 138 . 1 1 15 15 LYS CA C 13 60.802 0.047 . 1 . . . . A 13 LYS CA . 34161 1 139 . 1 1 15 15 LYS CB C 13 33.113 0.073 . 1 . . . . A 13 LYS CB . 34161 1 140 . 1 1 15 15 LYS CG C 13 25.889 0.036 . 1 . . . . A 13 LYS CG . 34161 1 141 . 1 1 15 15 LYS CD C 13 29.733 0.069 . 1 . . . . A 13 LYS CD . 34161 1 142 . 1 1 15 15 LYS CE C 13 43.078 0.053 . 1 . . . . A 13 LYS CE . 34161 1 143 . 1 1 15 15 LYS N N 15 121.912 0.026 . 1 . . . . A 13 LYS N . 34161 1 144 . 1 1 16 16 GLU H H 1 8.181 0.001 . 1 . . . . A 14 GLU H . 34161 1 145 . 1 1 16 16 GLU HA H 1 4.077 0 . 1 . . . . A 14 GLU HA . 34161 1 146 . 1 1 16 16 GLU HB2 H 1 2.219 0.006 . 2 . . . . A 14 GLU HB2 . 34161 1 147 . 1 1 16 16 GLU HB3 H 1 2.22 0.007 . 2 . . . . A 14 GLU HB3 . 34161 1 148 . 1 1 16 16 GLU HG2 H 1 2.379 0.006 . 2 . . . . A 14 GLU HG2 . 34161 1 149 . 1 1 16 16 GLU HG3 H 1 2.379 0.006 . 2 . . . . A 14 GLU HG3 . 34161 1 150 . 1 1 16 16 GLU CB C 13 30.415 0.036 . 1 . . . . A 14 GLU CB . 34161 1 151 . 1 1 16 16 GLU CG C 13 36.945 0.025 . 1 . . . . A 14 GLU CG . 34161 1 152 . 1 1 16 16 GLU N N 15 120.85 0.017 . 1 . . . . A 14 GLU N . 34161 1 153 . 1 1 17 17 ALA H H 1 7.753 0.003 . 1 . . . . A 15 ALA H . 34161 1 154 . 1 1 17 17 ALA HA H 1 4.351 0.014 . 1 . . . . A 15 ALA HA . 34161 1 155 . 1 1 17 17 ALA HB1 H 1 1.755 0.007 . 1 . . . . A 15 ALA HB1 . 34161 1 156 . 1 1 17 17 ALA HB2 H 1 1.755 0.007 . 1 . . . . A 15 ALA HB2 . 34161 1 157 . 1 1 17 17 ALA HB3 H 1 1.755 0.007 . 1 . . . . A 15 ALA HB3 . 34161 1 158 . 1 1 17 17 ALA CA C 13 56.355 0 . 1 . . . . A 15 ALA CA . 34161 1 159 . 1 1 17 17 ALA CB C 13 20.167 0.019 . 1 . . . . A 15 ALA CB . 34161 1 160 . 1 1 17 17 ALA N N 15 121.107 0.021 . 1 . . . . A 15 ALA N . 34161 1 161 . 1 1 18 18 PHE H H 1 8.52 0 . 1 . . . . A 16 PHE H . 34161 1 162 . 1 1 18 18 PHE HA H 1 3.704 0.006 . 1 . . . . A 16 PHE HA . 34161 1 163 . 1 1 18 18 PHE HB2 H 1 3.255 0.008 . 2 . . . . A 16 PHE HB2 . 34161 1 164 . 1 1 18 18 PHE HB3 H 1 2.961 0.008 . 2 . . . . A 16 PHE HB3 . 34161 1 165 . 1 1 18 18 PHE HE1 H 1 6.955 0.004 . 1 . . . . A 16 PHE HE1 . 34161 1 166 . 1 1 18 18 PHE HE2 H 1 6.955 0.004 . 1 . . . . A 16 PHE HE2 . 34161 1 167 . 1 1 18 18 PHE HZ H 1 7.018 0.005 . 1 . . . . A 16 PHE HZ . 34161 1 168 . 1 1 18 18 PHE CA C 13 63.338 0.032 . 1 . . . . A 16 PHE CA . 34161 1 169 . 1 1 18 18 PHE CB C 13 41.724 0.021 . 1 . . . . A 16 PHE CB . 34161 1 170 . 1 1 18 18 PHE CE2 C 13 131.409 0.093 . 1 . . . . A 16 PHE CE2 . 34161 1 171 . 1 1 18 18 PHE CZ C 13 131.49 0.006 . 1 . . . . A 16 PHE CZ . 34161 1 172 . 1 1 18 18 PHE N N 15 117.635 0 . 1 . . . . A 16 PHE N . 34161 1 173 . 1 1 19 19 SER H H 1 8.503 0.002 . 1 . . . . A 17 SER H . 34161 1 174 . 1 1 19 19 SER HA H 1 4.227 0.001 . 1 . . . . A 17 SER HA . 34161 1 175 . 1 1 19 19 SER HB2 H 1 4.042 0.007 . 2 . . . . A 17 SER HB2 . 34161 1 176 . 1 1 19 19 SER HB3 H 1 4.042 0.007 . 2 . . . . A 17 SER HB3 . 34161 1 177 . 1 1 19 19 SER CA C 13 62.921 0.035 . 1 . . . . A 17 SER CA . 34161 1 178 . 1 1 19 19 SER CB C 13 64.244 0.02 . 1 . . . . A 17 SER CB . 34161 1 179 . 1 1 19 19 SER N N 15 111.414 0.017 . 1 . . . . A 17 SER N . 34161 1 180 . 1 1 20 20 LEU H H 1 7.631 0.002 . 1 . . . . A 18 LEU H . 34161 1 181 . 1 1 20 20 LEU HA H 1 3.941 0.001 . 1 . . . . A 18 LEU HA . 34161 1 182 . 1 1 20 20 LEU HB2 H 1 1.743 0.009 . 2 . . . . A 18 LEU HB2 . 34161 1 183 . 1 1 20 20 LEU HB3 H 1 1.384 0 . 2 . . . . A 18 LEU HB3 . 34161 1 184 . 1 1 20 20 LEU HG H 1 1.425 0.005 . 1 . . . . A 18 LEU HG . 34161 1 185 . 1 1 20 20 LEU HD11 H 1 0.837 0.008 . 2 . . . . A 18 LEU HD11 . 34161 1 186 . 1 1 20 20 LEU HD12 H 1 0.837 0.008 . 2 . . . . A 18 LEU HD12 . 34161 1 187 . 1 1 20 20 LEU HD13 H 1 0.837 0.008 . 2 . . . . A 18 LEU HD13 . 34161 1 188 . 1 1 20 20 LEU HD21 H 1 0.736 0 . 2 . . . . A 18 LEU HD21 . 34161 1 189 . 1 1 20 20 LEU HD22 H 1 0.736 0 . 2 . . . . A 18 LEU HD22 . 34161 1 190 . 1 1 20 20 LEU HD23 H 1 0.736 0 . 2 . . . . A 18 LEU HD23 . 34161 1 191 . 1 1 20 20 LEU CA C 13 58.311 0.04 . 1 . . . . A 18 LEU CA . 34161 1 192 . 1 1 20 20 LEU CB C 13 42.81 0.02 . 1 . . . . A 18 LEU CB . 34161 1 193 . 1 1 20 20 LEU CG C 13 27.715 0.066 . 1 . . . . A 18 LEU CG . 34161 1 194 . 1 1 20 20 LEU CD1 C 13 25.309 0.014 . 1 . . . . A 18 LEU CD1 . 34161 1 195 . 1 1 20 20 LEU N N 15 121.906 0.015 . 1 . . . . A 18 LEU N . 34161 1 196 . 1 1 21 21 PHE H H 1 7.253 0.004 . 1 . . . . A 19 PHE H . 34161 1 197 . 1 1 21 21 PHE HA H 1 4.316 0.001 . 1 . . . . A 19 PHE HA . 34161 1 198 . 1 1 21 21 PHE HB2 H 1 2.436 0.004 . 1 . . . . A 19 PHE HB2 . 34161 1 199 . 1 1 21 21 PHE HB3 H 1 3.059 0.006 . 1 . . . . A 19 PHE HB3 . 34161 1 200 . 1 1 21 21 PHE HD1 H 1 7.542 0.001 . 1 . . . . A 19 PHE HD1 . 34161 1 201 . 1 1 21 21 PHE HD2 H 1 7.542 0.001 . 1 . . . . A 19 PHE HD2 . 34161 1 202 . 1 1 21 21 PHE HE1 H 1 7.442 0.003 . 1 . . . . A 19 PHE HE1 . 34161 1 203 . 1 1 21 21 PHE HE2 H 1 7.442 0.003 . 1 . . . . A 19 PHE HE2 . 34161 1 204 . 1 1 21 21 PHE HZ H 1 7.076 0.003 . 1 . . . . A 19 PHE HZ . 34161 1 205 . 1 1 21 21 PHE CA C 13 60.49 0.038 . 1 . . . . A 19 PHE CA . 34161 1 206 . 1 1 21 21 PHE CB C 13 40.375 0.019 . 1 . . . . A 19 PHE CB . 34161 1 207 . 1 1 21 21 PHE CD2 C 13 132.38 0.065 . 1 . . . . A 19 PHE CD2 . 34161 1 208 . 1 1 21 21 PHE CE2 C 13 131.507 0.092 . 1 . . . . A 19 PHE CE2 . 34161 1 209 . 1 1 21 21 PHE CZ C 13 131.443 0.02 . 1 . . . . A 19 PHE CZ . 34161 1 210 . 1 1 21 21 PHE N N 15 114.197 0.026 . 1 . . . . A 19 PHE N . 34161 1 211 . 1 1 22 22 ASP H H 1 7.664 0.004 . 1 . . . . A 20 ASP H . 34161 1 212 . 1 1 22 22 ASP HA H 1 5.157 0.003 . 1 . . . . A 20 ASP HA . 34161 1 213 . 1 1 22 22 ASP HB2 H 1 2.77 0.006 . 2 . . . . A 20 ASP HB2 . 34161 1 214 . 1 1 22 22 ASP HB3 H 1 2.036 0.012 . 2 . . . . A 20 ASP HB3 . 34161 1 215 . 1 1 22 22 ASP CA C 13 53.381 0.065 . 1 . . . . A 20 ASP CA . 34161 1 216 . 1 1 22 22 ASP CB C 13 40.545 0.03 . 1 . . . . A 20 ASP CB . 34161 1 217 . 1 1 22 22 ASP N N 15 122.161 0.036 . 1 . . . . A 20 ASP N . 34161 1 218 . 1 1 23 23 LYS H H 1 7.923 0 . 1 . . . . A 21 LYS H . 34161 1 219 . 1 1 23 23 LYS HA H 1 4.011 0.007 . 1 . . . . A 21 LYS HA . 34161 1 220 . 1 1 23 23 LYS HB2 H 1 1.887 0 . 2 . . . . A 21 LYS HB2 . 34161 1 221 . 1 1 23 23 LYS HB3 H 1 1.885 0.006 . 2 . . . . A 21 LYS HB3 . 34161 1 222 . 1 1 23 23 LYS HG2 H 1 1.569 0.005 . 2 . . . . A 21 LYS HG2 . 34161 1 223 . 1 1 23 23 LYS HG3 H 1 1.515 0.011 . 2 . . . . A 21 LYS HG3 . 34161 1 224 . 1 1 23 23 LYS HD2 H 1 1.705 0.016 . 2 . . . . A 21 LYS HD2 . 34161 1 225 . 1 1 23 23 LYS HD3 H 1 1.671 0.013 . 2 . . . . A 21 LYS HD3 . 34161 1 226 . 1 1 23 23 LYS CA C 13 59.864 0.011 . 1 . . . . A 21 LYS CA . 34161 1 227 . 1 1 23 23 LYS CB C 13 33.208 0.049 . 1 . . . . A 21 LYS CB . 34161 1 228 . 1 1 23 23 LYS CG C 13 26.223 0.017 . 1 . . . . A 21 LYS CG . 34161 1 229 . 1 1 23 23 LYS CD C 13 29.775 0.024 . 1 . . . . A 21 LYS CD . 34161 1 230 . 1 1 23 23 LYS N N 15 122.612 0 . 1 . . . . A 21 LYS N . 34161 1 231 . 1 1 24 24 ASP H H 1 8.603 0.004 . 1 . . . . A 22 ASP H . 34161 1 232 . 1 1 24 24 ASP HA H 1 4.544 0.01 . 1 . . . . A 22 ASP HA . 34161 1 233 . 1 1 24 24 ASP HB2 H 1 2.872 0.005 . 2 . . . . A 22 ASP HB2 . 34161 1 234 . 1 1 24 24 ASP HB3 H 1 2.644 0.025 . 2 . . . . A 22 ASP HB3 . 34161 1 235 . 1 1 24 24 ASP CA C 13 54.344 0 . 1 . . . . A 22 ASP CA . 34161 1 236 . 1 1 24 24 ASP CB C 13 40.542 0.049 . 1 . . . . A 22 ASP CB . 34161 1 237 . 1 1 24 24 ASP N N 15 113.661 0.04 . 1 . . . . A 22 ASP N . 34161 1 238 . 1 1 25 25 GLY H H 1 7.548 0.006 . 1 . . . . A 23 GLY H . 34161 1 239 . 1 1 25 25 GLY HA2 H 1 3.873 0.01 . 2 . . . . A 23 GLY HA2 . 34161 1 240 . 1 1 25 25 GLY HA3 H 1 3.965 0.01 . 2 . . . . A 23 GLY HA3 . 34161 1 241 . 1 1 25 25 GLY CA C 13 48.345 0.045 . 1 . . . . A 23 GLY CA . 34161 1 242 . 1 1 25 25 GLY N N 15 108.968 0.081 . 1 . . . . A 23 GLY N . 34161 1 243 . 1 1 26 26 ASP H H 1 8.426 0.002 . 1 . . . . A 24 ASP H . 34161 1 244 . 1 1 26 26 ASP HB2 H 1 3.044 0.008 . 2 . . . . A 24 ASP HB2 . 34161 1 245 . 1 1 26 26 ASP HB3 H 1 2.634 0.008 . 2 . . . . A 24 ASP HB3 . 34161 1 246 . 1 1 26 26 ASP CB C 13 41.809 0.069 . 1 . . . . A 24 ASP CB . 34161 1 247 . 1 1 26 26 ASP N N 15 119.86 0.015 . 1 . . . . A 24 ASP N . 34161 1 248 . 1 1 27 27 GLY H H 1 10.374 0.001 . 1 . . . . A 25 GLY H . 34161 1 249 . 1 1 27 27 GLY HA2 H 1 4.437 0.01 . 2 . . . . A 25 GLY HA2 . 34161 1 250 . 1 1 27 27 GLY HA3 H 1 3.785 0.008 . 2 . . . . A 25 GLY HA3 . 34161 1 251 . 1 1 27 27 GLY CA C 13 46.506 0.035 . 1 . . . . A 25 GLY CA . 34161 1 252 . 1 1 27 27 GLY N N 15 112.759 0.018 . 1 . . . . A 25 GLY N . 34161 1 253 . 1 1 28 28 THR H H 1 8.103 0.004 . 1 . . . . A 26 THR H . 34161 1 254 . 1 1 28 28 THR HA H 1 5.683 0.015 . 1 . . . . A 26 THR HA . 34161 1 255 . 1 1 28 28 THR HB H 1 4.11 0.002 . 1 . . . . A 26 THR HB . 34161 1 256 . 1 1 28 28 THR HG21 H 1 1.092 0.011 . 1 . . . . A 26 THR HG21 . 34161 1 257 . 1 1 28 28 THR HG22 H 1 1.092 0.011 . 1 . . . . A 26 THR HG22 . 34161 1 258 . 1 1 28 28 THR HG23 H 1 1.092 0.011 . 1 . . . . A 26 THR HG23 . 34161 1 259 . 1 1 28 28 THR CA C 13 60.946 0.049 . 1 . . . . A 26 THR CA . 34161 1 260 . 1 1 28 28 THR CB C 13 74.124 0.032 . 1 . . . . A 26 THR CB . 34161 1 261 . 1 1 28 28 THR CG2 C 13 22.449 0 . 1 . . . . A 26 THR CG2 . 34161 1 262 . 1 1 28 28 THR N N 15 110.009 0.034 . 1 . . . . A 26 THR N . 34161 1 263 . 1 1 29 29 ILE H H 1 8.846 0.003 . 1 . . . . A 27 ILE H . 34161 1 264 . 1 1 29 29 ILE HA H 1 4.886 0.016 . 1 . . . . A 27 ILE HA . 34161 1 265 . 1 1 29 29 ILE HB H 1 1.821 0.007 . 1 . . . . A 27 ILE HB . 34161 1 266 . 1 1 29 29 ILE HG12 H 1 1.152 0.012 . 2 . . . . A 27 ILE HG12 . 34161 1 267 . 1 1 29 29 ILE HG13 H 1 0.816 0.01 . 2 . . . . A 27 ILE HG13 . 34161 1 268 . 1 1 29 29 ILE HG21 H 1 -0.008 0.006 . 1 . . . . A 27 ILE HG21 . 34161 1 269 . 1 1 29 29 ILE HG22 H 1 -0.008 0.006 . 1 . . . . A 27 ILE HG22 . 34161 1 270 . 1 1 29 29 ILE HG23 H 1 -0.008 0.006 . 1 . . . . A 27 ILE HG23 . 34161 1 271 . 1 1 29 29 ILE HD11 H 1 0.335 0.009 . 1 . . . . A 27 ILE HD11 . 34161 1 272 . 1 1 29 29 ILE HD12 H 1 0.335 0.009 . 1 . . . . A 27 ILE HD12 . 34161 1 273 . 1 1 29 29 ILE HD13 H 1 0.335 0.009 . 1 . . . . A 27 ILE HD13 . 34161 1 274 . 1 1 29 29 ILE CA C 13 60.821 0.036 . 1 . . . . A 27 ILE CA . 34161 1 275 . 1 1 29 29 ILE CB C 13 42.093 0.027 . 1 . . . . A 27 ILE CB . 34161 1 276 . 1 1 29 29 ILE CG1 C 13 25.574 0.03 . 1 . . . . A 27 ILE CG1 . 34161 1 277 . 1 1 29 29 ILE CG2 C 13 16.763 0.019 . 1 . . . . A 27 ILE CG2 . 34161 1 278 . 1 1 29 29 ILE CD1 C 13 14.905 0.043 . 1 . . . . A 27 ILE CD1 . 34161 1 279 . 1 1 29 29 ILE N N 15 117.069 0.035 . 1 . . . . A 27 ILE N . 34161 1 280 . 1 1 30 30 THR H H 1 8.64 0.002 . 1 . . . . A 28 THR H . 34161 1 281 . 1 1 30 30 THR HA H 1 5.17 0.006 . 1 . . . . A 28 THR HA . 34161 1 282 . 1 1 30 30 THR HB H 1 4.709 0 . 1 . . . . A 28 THR HB . 34161 1 283 . 1 1 30 30 THR HG21 H 1 1.311 0.009 . 1 . . . . A 28 THR HG21 . 34161 1 284 . 1 1 30 30 THR HG22 H 1 1.311 0.009 . 1 . . . . A 28 THR HG22 . 34161 1 285 . 1 1 30 30 THR HG23 H 1 1.311 0.009 . 1 . . . . A 28 THR HG23 . 34161 1 286 . 1 1 30 30 THR CA C 13 61.337 0.04 . 1 . . . . A 28 THR CA . 34161 1 287 . 1 1 30 30 THR CG2 C 13 23.111 0.011 . 1 . . . . A 28 THR CG2 . 34161 1 288 . 1 1 30 30 THR N N 15 111.19 0.01 . 1 . . . . A 28 THR N . 34161 1 289 . 1 1 31 31 THR H H 1 8.368 0.003 . 1 . . . . A 29 THR H . 34161 1 290 . 1 1 31 31 THR HA H 1 3.796 0.003 . 1 . . . . A 29 THR HA . 34161 1 291 . 1 1 31 31 THR HB H 1 4.302 0 . 1 . . . . A 29 THR HB . 34161 1 292 . 1 1 31 31 THR HG21 H 1 1.166 0.01 . 1 . . . . A 29 THR HG21 . 34161 1 293 . 1 1 31 31 THR HG22 H 1 1.166 0.01 . 1 . . . . A 29 THR HG22 . 34161 1 294 . 1 1 31 31 THR HG23 H 1 1.166 0.01 . 1 . . . . A 29 THR HG23 . 34161 1 295 . 1 1 31 31 THR CA C 13 66.244 0.097 . 1 . . . . A 29 THR CA . 34161 1 296 . 1 1 31 31 THR CB C 13 68.349 0.008 . 1 . . . . A 29 THR CB . 34161 1 297 . 1 1 31 31 THR CG2 C 13 24.638 0.019 . 1 . . . . A 29 THR CG2 . 34161 1 298 . 1 1 31 31 THR N N 15 111.683 0.036 . 1 . . . . A 29 THR N . 34161 1 299 . 1 1 32 32 LYS H H 1 7.512 0 . 1 . . . . A 30 LYS H . 34161 1 300 . 1 1 32 32 LYS HA H 1 4.21 0.002 . 1 . . . . A 30 LYS HA . 34161 1 301 . 1 1 32 32 LYS HB2 H 1 1.835 0.01 . 2 . . . . A 30 LYS HB2 . 34161 1 302 . 1 1 32 32 LYS HB3 H 1 1.835 0.01 . 2 . . . . A 30 LYS HB3 . 34161 1 303 . 1 1 32 32 LYS HG2 H 1 1.53 0.008 . 2 . . . . A 30 LYS HG2 . 34161 1 304 . 1 1 32 32 LYS HG3 H 1 1.53 0.008 . 2 . . . . A 30 LYS HG3 . 34161 1 305 . 1 1 32 32 LYS HD2 H 1 1.677 0.002 . 2 . . . . A 30 LYS HD2 . 34161 1 306 . 1 1 32 32 LYS HD3 H 1 1.677 0.002 . 2 . . . . A 30 LYS HD3 . 34161 1 307 . 1 1 32 32 LYS HE2 H 1 3.04 0.004 . 2 . . . . A 30 LYS HE2 . 34161 1 308 . 1 1 32 32 LYS HE3 H 1 2.993 0.015 . 2 . . . . A 30 LYS HE3 . 34161 1 309 . 1 1 32 32 LYS CA C 13 59.181 0 . 1 . . . . A 30 LYS CA . 34161 1 310 . 1 1 32 32 LYS CB C 13 33.381 0.05 . 1 . . . . A 30 LYS CB . 34161 1 311 . 1 1 32 32 LYS CG C 13 25.754 0.013 . 1 . . . . A 30 LYS CG . 34161 1 312 . 1 1 32 32 LYS CD C 13 30.198 0 . 1 . . . . A 30 LYS CD . 34161 1 313 . 1 1 32 32 LYS CE C 13 43.377 0 . 1 . . . . A 30 LYS CE . 34161 1 314 . 1 1 32 32 LYS N N 15 119.161 0 . 1 . . . . A 30 LYS N . 34161 1 315 . 1 1 33 33 GLN H H 1 7.621 0.005 . 1 . . . . A 31 GLN H . 34161 1 316 . 1 1 33 33 GLN HA H 1 4.335 0.002 . 1 . . . . A 31 GLN HA . 34161 1 317 . 1 1 33 33 GLN HB2 H 1 1.856 0.011 . 2 . . . . A 31 GLN HB2 . 34161 1 318 . 1 1 33 33 GLN HB3 H 1 2.283 0.011 . 2 . . . . A 31 GLN HB3 . 34161 1 319 . 1 1 33 33 GLN HG2 H 1 2.246 0.004 . 2 . . . . A 31 GLN HG2 . 34161 1 320 . 1 1 33 33 GLN HG3 H 1 2.129 0.006 . 2 . . . . A 31 GLN HG3 . 34161 1 321 . 1 1 33 33 GLN HE21 H 1 7.482 0 . 2 . . . . A 31 GLN HE21 . 34161 1 322 . 1 1 33 33 GLN HE22 H 1 6.659 0 . 2 . . . . A 31 GLN HE22 . 34161 1 323 . 1 1 33 33 GLN CA C 13 57.56 0.021 . 1 . . . . A 31 GLN CA . 34161 1 324 . 1 1 33 33 GLN CB C 13 31.431 0.059 . 1 . . . . A 31 GLN CB . 34161 1 325 . 1 1 33 33 GLN CG C 13 34.242 0.01 . 1 . . . . A 31 GLN CG . 34161 1 326 . 1 1 33 33 GLN N N 15 117.01 0.011 . 1 . . . . A 31 GLN N . 34161 1 327 . 1 1 33 33 GLN NE2 N 15 111.378 0.01 . 1 . . . . A 31 GLN NE2 . 34161 1 328 . 1 1 34 34 LEU H H 1 7.39 0.003 . 1 . . . . A 32 LEU H . 34161 1 329 . 1 1 34 34 LEU HA H 1 3.767 0.009 . 1 . . . . A 32 LEU HA . 34161 1 330 . 1 1 34 34 LEU HB2 H 1 1.399 0.001 . 2 . . . . A 32 LEU HB2 . 34161 1 331 . 1 1 34 34 LEU HB3 H 1 1.399 0 . 2 . . . . A 32 LEU HB3 . 34161 1 332 . 1 1 34 34 LEU HG H 1 1.573 0.009 . 1 . . . . A 32 LEU HG . 34161 1 333 . 1 1 34 34 LEU HD11 H 1 1.031 0.002 . 2 . . . . A 32 LEU HD11 . 34161 1 334 . 1 1 34 34 LEU HD12 H 1 1.031 0.002 . 2 . . . . A 32 LEU HD12 . 34161 1 335 . 1 1 34 34 LEU HD13 H 1 1.031 0.002 . 2 . . . . A 32 LEU HD13 . 34161 1 336 . 1 1 34 34 LEU HD21 H 1 0.911 0.001 . 2 . . . . A 32 LEU HD21 . 34161 1 337 . 1 1 34 34 LEU HD22 H 1 0.911 0.001 . 2 . . . . A 32 LEU HD22 . 34161 1 338 . 1 1 34 34 LEU HD23 H 1 0.911 0.001 . 2 . . . . A 32 LEU HD23 . 34161 1 339 . 1 1 34 34 LEU CA C 13 59.72 0.008 . 1 . . . . A 32 LEU CA . 34161 1 340 . 1 1 34 34 LEU CB C 13 42.934 0.023 . 1 . . . . A 32 LEU CB . 34161 1 341 . 1 1 34 34 LEU CG C 13 28.078 0.043 . 1 . . . . A 32 LEU CG . 34161 1 342 . 1 1 34 34 LEU CD1 C 13 24.632 0.017 . 1 . . . . A 32 LEU CD1 . 34161 1 343 . 1 1 34 34 LEU CD2 C 13 27.127 0.04 . 1 . . . . A 32 LEU CD2 . 34161 1 344 . 1 1 34 34 LEU N N 15 120.128 0.016 . 1 . . . . A 32 LEU N . 34161 1 345 . 1 1 35 35 GLY H H 1 8.807 0.004 . 1 . . . . A 33 GLY H . 34161 1 346 . 1 1 35 35 GLY HA2 H 1 3.906 0.008 . 2 . . . . A 33 GLY HA2 . 34161 1 347 . 1 1 35 35 GLY HA3 H 1 3.514 0.007 . 2 . . . . A 33 GLY HA3 . 34161 1 348 . 1 1 35 35 GLY CA C 13 49.256 0.061 . 1 . . . . A 33 GLY CA . 34161 1 349 . 1 1 35 35 GLY N N 15 105.942 0.031 . 1 . . . . A 33 GLY N . 34161 1 350 . 1 1 36 36 THR H H 1 7.566 0.004 . 1 . . . . A 34 THR H . 34161 1 351 . 1 1 36 36 THR HA H 1 3.825 0.01 . 1 . . . . A 34 THR HA . 34161 1 352 . 1 1 36 36 THR HB H 1 3.96 0.009 . 1 . . . . A 34 THR HB . 34161 1 353 . 1 1 36 36 THR HG21 H 1 1.179 0.018 . 1 . . . . A 34 THR HG21 . 34161 1 354 . 1 1 36 36 THR HG22 H 1 1.179 0.018 . 1 . . . . A 34 THR HG22 . 34161 1 355 . 1 1 36 36 THR HG23 H 1 1.179 0.018 . 1 . . . . A 34 THR HG23 . 34161 1 356 . 1 1 36 36 THR CA C 13 67.047 0.065 . 1 . . . . A 34 THR CA . 34161 1 357 . 1 1 36 36 THR CB C 13 69.322 0.013 . 1 . . . . A 34 THR CB . 34161 1 358 . 1 1 36 36 THR CG2 C 13 24.323 0.032 . 1 . . . . A 34 THR CG2 . 34161 1 359 . 1 1 36 36 THR N N 15 117.542 0.023 . 1 . . . . A 34 THR N . 34161 1 360 . 1 1 37 37 VAL H H 1 7.828 0.002 . 1 . . . . A 35 VAL H . 34161 1 361 . 1 1 37 37 VAL HA H 1 3.21 0.007 . 1 . . . . A 35 VAL HA . 34161 1 362 . 1 1 37 37 VAL HB H 1 1.835 0.01 . 1 . . . . A 35 VAL HB . 34161 1 363 . 1 1 37 37 VAL HG11 H 1 0.465 0.006 . 2 . . . . A 35 VAL HG11 . 34161 1 364 . 1 1 37 37 VAL HG12 H 1 0.465 0.006 . 2 . . . . A 35 VAL HG12 . 34161 1 365 . 1 1 37 37 VAL HG13 H 1 0.465 0.006 . 2 . . . . A 35 VAL HG13 . 34161 1 366 . 1 1 37 37 VAL HG21 H 1 0.712 0.007 . 2 . . . . A 35 VAL HG21 . 34161 1 367 . 1 1 37 37 VAL HG22 H 1 0.712 0.007 . 2 . . . . A 35 VAL HG22 . 34161 1 368 . 1 1 37 37 VAL HG23 H 1 0.712 0.007 . 2 . . . . A 35 VAL HG23 . 34161 1 369 . 1 1 37 37 VAL CA C 13 67.177 0.041 . 1 . . . . A 35 VAL CA . 34161 1 370 . 1 1 37 37 VAL CB C 13 32.284 0.039 . 1 . . . . A 35 VAL CB . 34161 1 371 . 1 1 37 37 VAL CG1 C 13 23.321 0.034 . 1 . . . . A 35 VAL CG1 . 34161 1 372 . 1 1 37 37 VAL CG2 C 13 22.96 0.024 . 1 . . . . A 35 VAL CG2 . 34161 1 373 . 1 1 37 37 VAL N N 15 122.858 0.031 . 1 . . . . A 35 VAL N . 34161 1 374 . 1 1 38 38 MET H H 1 8.367 0.003 . 1 . . . . A 36 MET H . 34161 1 375 . 1 1 38 38 MET HA H 1 4.08 0.014 . 1 . . . . A 36 MET HA . 34161 1 376 . 1 1 38 38 MET HB2 H 1 1.892 0.014 . 1 . . . . A 36 MET HB2 . 34161 1 377 . 1 1 38 38 MET HB3 H 1 2.125 0.01 . 1 . . . . A 36 MET HB3 . 34161 1 378 . 1 1 38 38 MET HG2 H 1 2.705 0.008 . 2 . . . . A 36 MET HG2 . 34161 1 379 . 1 1 38 38 MET HG3 H 1 2.649 0 . 2 . . . . A 36 MET HG3 . 34161 1 380 . 1 1 38 38 MET HE1 H 1 2.144 0.007 . 1 . . . . A 36 MET HE1 . 34161 1 381 . 1 1 38 38 MET HE2 H 1 2.144 0.007 . 1 . . . . A 36 MET HE2 . 34161 1 382 . 1 1 38 38 MET HE3 H 1 2.144 0.007 . 1 . . . . A 36 MET HE3 . 34161 1 383 . 1 1 38 38 MET CA C 13 60.763 0.004 . 1 . . . . A 36 MET CA . 34161 1 384 . 1 1 38 38 MET CB C 13 32.565 0.052 . 1 . . . . A 36 MET CB . 34161 1 385 . 1 1 38 38 MET CG C 13 33.364 0 . 1 . . . . A 36 MET CG . 34161 1 386 . 1 1 38 38 MET CE C 13 18.188 0.013 . 1 . . . . A 36 MET CE . 34161 1 387 . 1 1 38 38 MET N N 15 118.217 0.045 . 1 . . . . A 36 MET N . 34161 1 388 . 1 1 39 39 ARG H H 1 8.327 0.002 . 1 . . . . A 37 ARG H . 34161 1 389 . 1 1 39 39 ARG HB2 H 1 1.996 0 . 2 . . . . A 37 ARG HB2 . 34161 1 390 . 1 1 39 39 ARG HB3 H 1 1.937 0 . 2 . . . . A 37 ARG HB3 . 34161 1 391 . 1 1 39 39 ARG HG2 H 1 1.681 0.003 . 2 . . . . A 37 ARG HG2 . 34161 1 392 . 1 1 39 39 ARG HG3 H 1 1.61 0 . 2 . . . . A 37 ARG HG3 . 34161 1 393 . 1 1 39 39 ARG HD2 H 1 3.049 0.003 . 2 . . . . A 37 ARG HD2 . 34161 1 394 . 1 1 39 39 ARG HD3 H 1 3.048 0.004 . 2 . . . . A 37 ARG HD3 . 34161 1 395 . 1 1 39 39 ARG CB C 13 31.14 0 . 1 . . . . A 37 ARG CB . 34161 1 396 . 1 1 39 39 ARG CG C 13 28.934 0 . 1 . . . . A 37 ARG CG . 34161 1 397 . 1 1 39 39 ARG CD C 13 43.11 0 . 1 . . . . A 37 ARG CD . 34161 1 398 . 1 1 39 39 ARG N N 15 119.582 0.022 . 1 . . . . A 37 ARG N . 34161 1 399 . 1 1 40 40 SER H H 1 8.069 0.002 . 1 . . . . A 38 SER H . 34161 1 400 . 1 1 40 40 SER HA H 1 4.314 0 . 1 . . . . A 38 SER HA . 34161 1 401 . 1 1 40 40 SER HB2 H 1 4.478 0 . 2 . . . . A 38 SER HB2 . 34161 1 402 . 1 1 40 40 SER HB3 H 1 4.478 0 . 2 . . . . A 38 SER HB3 . 34161 1 403 . 1 1 40 40 SER CA C 13 62.803 0 . 1 . . . . A 38 SER CA . 34161 1 404 . 1 1 40 40 SER CB C 13 62.795 0 . 1 . . . . A 38 SER CB . 34161 1 405 . 1 1 40 40 SER N N 15 119.103 0.007 . 1 . . . . A 38 SER N . 34161 1 406 . 1 1 41 41 LEU H H 1 7.369 0.003 . 1 . . . . A 39 LEU H . 34161 1 407 . 1 1 41 41 LEU HA H 1 1.957 0 . 1 . . . . A 39 LEU HA . 34161 1 408 . 1 1 41 41 LEU HB2 H 1 1.972 0 . 2 . . . . A 39 LEU HB2 . 34161 1 409 . 1 1 41 41 LEU HB3 H 1 1.972 0.004 . 2 . . . . A 39 LEU HB3 . 34161 1 410 . 1 1 41 41 LEU HD11 H 1 1.173 0 . 2 . . . . A 39 LEU HD11 . 34161 1 411 . 1 1 41 41 LEU HD12 H 1 1.173 0 . 2 . . . . A 39 LEU HD12 . 34161 1 412 . 1 1 41 41 LEU HD13 H 1 1.173 0 . 2 . . . . A 39 LEU HD13 . 34161 1 413 . 1 1 41 41 LEU HD21 H 1 1.111 0.005 . 2 . . . . A 39 LEU HD21 . 34161 1 414 . 1 1 41 41 LEU HD22 H 1 1.111 0.005 . 2 . . . . A 39 LEU HD22 . 34161 1 415 . 1 1 41 41 LEU HD23 H 1 1.111 0.005 . 2 . . . . A 39 LEU HD23 . 34161 1 416 . 1 1 41 41 LEU CB C 13 43.807 0.052 . 1 . . . . A 39 LEU CB . 34161 1 417 . 1 1 41 41 LEU CD1 C 13 24.681 0.007 . 1 . . . . A 39 LEU CD1 . 34161 1 418 . 1 1 41 41 LEU CD2 C 13 27.787 0.008 . 1 . . . . A 39 LEU CD2 . 34161 1 419 . 1 1 41 41 LEU N N 15 120.997 0.013 . 1 . . . . A 39 LEU N . 34161 1 420 . 1 1 42 42 GLY H H 1 7.937 0.001 . 1 . . . . A 40 GLY H . 34161 1 421 . 1 1 42 42 GLY HA2 H 1 4.306 0.013 . 2 . . . . A 40 GLY HA2 . 34161 1 422 . 1 1 42 42 GLY HA3 H 1 3.862 0.009 . 2 . . . . A 40 GLY HA3 . 34161 1 423 . 1 1 42 42 GLY CA C 13 46.783 0.048 . 1 . . . . A 40 GLY CA . 34161 1 424 . 1 1 42 42 GLY N N 15 107.319 0.02 . 1 . . . . A 40 GLY N . 34161 1 425 . 1 1 43 43 GLN H H 1 7.805 0.002 . 1 . . . . A 41 GLN H . 34161 1 426 . 1 1 43 43 GLN HB2 H 1 2.229 0.007 . 2 . . . . A 41 GLN HB2 . 34161 1 427 . 1 1 43 43 GLN HB3 H 1 2.238 0 . 2 . . . . A 41 GLN HB3 . 34161 1 428 . 1 1 43 43 GLN HG2 H 1 2.463 0.001 . 2 . . . . A 41 GLN HG2 . 34161 1 429 . 1 1 43 43 GLN HG3 H 1 2.403 0.002 . 2 . . . . A 41 GLN HG3 . 34161 1 430 . 1 1 43 43 GLN CG C 13 34.988 0.025 . 1 . . . . A 41 GLN CG . 34161 1 431 . 1 1 43 43 GLN N N 15 118.189 0.015 . 1 . . . . A 41 GLN N . 34161 1 432 . 1 1 45 45 PRO HB2 H 1 2.113 0.011 . 2 . . . . A 43 PRO HB2 . 34161 1 433 . 1 1 45 45 PRO HB3 H 1 2.115 0.01 . 2 . . . . A 43 PRO HB3 . 34161 1 434 . 1 1 45 45 PRO HD2 H 1 3.687 0.012 . 2 . . . . A 43 PRO HD2 . 34161 1 435 . 1 1 45 45 PRO HD3 H 1 3.348 0.009 . 2 . . . . A 43 PRO HD3 . 34161 1 436 . 1 1 45 45 PRO CB C 13 32.871 0.019 . 1 . . . . A 43 PRO CB . 34161 1 437 . 1 1 45 45 PRO CD C 13 51.003 0.013 . 1 . . . . A 43 PRO CD . 34161 1 438 . 1 1 46 46 THR H H 1 8.71 0.006 . 1 . . . . A 44 THR H . 34161 1 439 . 1 1 46 46 THR HA H 1 4.457 0.004 . 1 . . . . A 44 THR HA . 34161 1 440 . 1 1 46 46 THR HG21 H 1 1.355 0.005 . 1 . . . . A 44 THR HG21 . 34161 1 441 . 1 1 46 46 THR HG22 H 1 1.355 0.005 . 1 . . . . A 44 THR HG22 . 34161 1 442 . 1 1 46 46 THR HG23 H 1 1.355 0.005 . 1 . . . . A 44 THR HG23 . 34161 1 443 . 1 1 46 46 THR CA C 13 61.869 0 . 1 . . . . A 44 THR CA . 34161 1 444 . 1 1 46 46 THR CG2 C 13 22.949 0.014 . 1 . . . . A 44 THR CG2 . 34161 1 445 . 1 1 46 46 THR N N 15 113.166 0.011 . 1 . . . . A 44 THR N . 34161 1 446 . 1 1 47 47 GLU H H 1 8.859 0.004 . 1 . . . . A 45 GLU H . 34161 1 447 . 1 1 47 47 GLU HA H 1 4.021 0.012 . 1 . . . . A 45 GLU HA . 34161 1 448 . 1 1 47 47 GLU HB2 H 1 2.076 0.008 . 2 . . . . A 45 GLU HB2 . 34161 1 449 . 1 1 47 47 GLU HB3 H 1 2.076 0.008 . 2 . . . . A 45 GLU HB3 . 34161 1 450 . 1 1 47 47 GLU HG2 H 1 2.374 0.009 . 2 . . . . A 45 GLU HG2 . 34161 1 451 . 1 1 47 47 GLU HG3 H 1 2.378 0.007 . 2 . . . . A 45 GLU HG3 . 34161 1 452 . 1 1 47 47 GLU CA C 13 61.138 0.02 . 1 . . . . A 45 GLU CA . 34161 1 453 . 1 1 47 47 GLU CB C 13 30.172 0.022 . 1 . . . . A 45 GLU CB . 34161 1 454 . 1 1 47 47 GLU CG C 13 37.782 0.003 . 1 . . . . A 45 GLU CG . 34161 1 455 . 1 1 47 47 GLU N N 15 120.793 0.02 . 1 . . . . A 45 GLU N . 34161 1 456 . 1 1 48 48 ALA H H 1 8.316 0.002 . 1 . . . . A 46 ALA H . 34161 1 457 . 1 1 48 48 ALA HA H 1 4.132 0.011 . 1 . . . . A 46 ALA HA . 34161 1 458 . 1 1 48 48 ALA HB1 H 1 1.42 0.007 . 1 . . . . A 46 ALA HB1 . 34161 1 459 . 1 1 48 48 ALA HB2 H 1 1.42 0.007 . 1 . . . . A 46 ALA HB2 . 34161 1 460 . 1 1 48 48 ALA HB3 H 1 1.42 0.007 . 1 . . . . A 46 ALA HB3 . 34161 1 461 . 1 1 48 48 ALA CA C 13 56.064 0.037 . 1 . . . . A 46 ALA CA . 34161 1 462 . 1 1 48 48 ALA CB C 13 19.402 0.006 . 1 . . . . A 46 ALA CB . 34161 1 463 . 1 1 48 48 ALA N N 15 121.101 0.01 . 1 . . . . A 46 ALA N . 34161 1 464 . 1 1 49 49 GLU H H 1 7.72 0.002 . 1 . . . . A 47 GLU H . 34161 1 465 . 1 1 49 49 GLU HA H 1 4.066 0.008 . 1 . . . . A 47 GLU HA . 34161 1 466 . 1 1 49 49 GLU HB2 H 1 2.292 0.007 . 2 . . . . A 47 GLU HB2 . 34161 1 467 . 1 1 49 49 GLU HB3 H 1 1.931 0.012 . 2 . . . . A 47 GLU HB3 . 34161 1 468 . 1 1 49 49 GLU HG2 H 1 2.532 0.006 . 2 . . . . A 47 GLU HG2 . 34161 1 469 . 1 1 49 49 GLU HG3 H 1 2.532 0.006 . 2 . . . . A 47 GLU HG3 . 34161 1 470 . 1 1 49 49 GLU CA C 13 59.895 0.024 . 1 . . . . A 47 GLU CA . 34161 1 471 . 1 1 49 49 GLU CB C 13 31.204 0.046 . 1 . . . . A 47 GLU CB . 34161 1 472 . 1 1 49 49 GLU CG C 13 37.377 0.033 . 1 . . . . A 47 GLU CG . 34161 1 473 . 1 1 49 49 GLU N N 15 119.211 0.028 . 1 . . . . A 47 GLU N . 34161 1 474 . 1 1 50 50 LEU H H 1 8.489 0.002 . 1 . . . . A 48 LEU H . 34161 1 475 . 1 1 50 50 LEU HA H 1 4.075 0.012 . 1 . . . . A 48 LEU HA . 34161 1 476 . 1 1 50 50 LEU HB2 H 1 1.704 0.005 . 2 . . . . A 48 LEU HB2 . 34161 1 477 . 1 1 50 50 LEU HB3 H 1 1.67 0.003 . 2 . . . . A 48 LEU HB3 . 34161 1 478 . 1 1 50 50 LEU HG H 1 1.638 0.009 . 1 . . . . A 48 LEU HG . 34161 1 479 . 1 1 50 50 LEU HD11 H 1 0.865 0.003 . 2 . . . . A 48 LEU HD11 . 34161 1 480 . 1 1 50 50 LEU HD12 H 1 0.865 0.003 . 2 . . . . A 48 LEU HD12 . 34161 1 481 . 1 1 50 50 LEU HD13 H 1 0.865 0.003 . 2 . . . . A 48 LEU HD13 . 34161 1 482 . 1 1 50 50 LEU HD21 H 1 0.854 0.002 . 2 . . . . A 48 LEU HD21 . 34161 1 483 . 1 1 50 50 LEU HD22 H 1 0.854 0.002 . 2 . . . . A 48 LEU HD22 . 34161 1 484 . 1 1 50 50 LEU HD23 H 1 0.854 0.002 . 2 . . . . A 48 LEU HD23 . 34161 1 485 . 1 1 50 50 LEU CA C 13 59.039 0.025 . 1 . . . . A 48 LEU CA . 34161 1 486 . 1 1 50 50 LEU CB C 13 42.905 0.024 . 1 . . . . A 48 LEU CB . 34161 1 487 . 1 1 50 50 LEU CG C 13 28.228 0.013 . 1 . . . . A 48 LEU CG . 34161 1 488 . 1 1 50 50 LEU CD1 C 13 25.693 0.017 . 1 . . . . A 48 LEU CD1 . 34161 1 489 . 1 1 50 50 LEU CD2 C 13 25.668 0.012 . 1 . . . . A 48 LEU CD2 . 34161 1 490 . 1 1 50 50 LEU N N 15 120.521 0.019 . 1 . . . . A 48 LEU N . 34161 1 491 . 1 1 51 51 GLN H H 1 8.085 0.001 . 1 . . . . A 49 GLN H . 34161 1 492 . 1 1 51 51 GLN HA H 1 3.928 0.006 . 1 . . . . A 49 GLN HA . 34161 1 493 . 1 1 51 51 GLN HB2 H 1 2.187 0.003 . 2 . . . . A 49 GLN HB2 . 34161 1 494 . 1 1 51 51 GLN HB3 H 1 2.186 0.004 . 2 . . . . A 49 GLN HB3 . 34161 1 495 . 1 1 51 51 GLN HG2 H 1 2.459 0.011 . 2 . . . . A 49 GLN HG2 . 34161 1 496 . 1 1 51 51 GLN HG3 H 1 2.465 0.006 . 2 . . . . A 49 GLN HG3 . 34161 1 497 . 1 1 51 51 GLN HE21 H 1 7.464 0 . 2 . . . . A 49 GLN HE21 . 34161 1 498 . 1 1 51 51 GLN HE22 H 1 6.837 0 . 2 . . . . A 49 GLN HE22 . 34161 1 499 . 1 1 51 51 GLN CA C 13 59.801 0.038 . 1 . . . . A 49 GLN CA . 34161 1 500 . 1 1 51 51 GLN CB C 13 29.185 0.013 . 1 . . . . A 49 GLN CB . 34161 1 501 . 1 1 51 51 GLN CG C 13 35.129 0 . 1 . . . . A 49 GLN CG . 34161 1 502 . 1 1 51 51 GLN N N 15 117.865 0.01 . 1 . . . . A 49 GLN N . 34161 1 503 . 1 1 51 51 GLN NE2 N 15 113.214 0.002 . 1 . . . . A 49 GLN NE2 . 34161 1 504 . 1 1 52 52 ASP H H 1 7.78 0.003 . 1 . . . . A 50 ASP H . 34161 1 505 . 1 1 52 52 ASP HA H 1 4.465 0.003 . 1 . . . . A 50 ASP HA . 34161 1 506 . 1 1 52 52 ASP HB2 H 1 2.846 0.005 . 2 . . . . A 50 ASP HB2 . 34161 1 507 . 1 1 52 52 ASP HB3 H 1 2.7 0.008 . 2 . . . . A 50 ASP HB3 . 34161 1 508 . 1 1 52 52 ASP CA C 13 58.514 0.06 . 1 . . . . A 50 ASP CA . 34161 1 509 . 1 1 52 52 ASP CB C 13 41.551 0.021 . 1 . . . . A 50 ASP CB . 34161 1 510 . 1 1 52 52 ASP N N 15 119.243 0.008 . 1 . . . . A 50 ASP N . 34161 1 511 . 1 1 53 53 MET H H 1 8.104 0.002 . 1 . . . . A 51 MET H . 34161 1 512 . 1 1 53 53 MET HA H 1 4.095 0.015 . 1 . . . . A 51 MET HA . 34161 1 513 . 1 1 53 53 MET HB2 H 1 2.059 0.017 . 2 . . . . A 51 MET HB2 . 34161 1 514 . 1 1 53 53 MET HB3 H 1 2.34 0.01 . 2 . . . . A 51 MET HB3 . 34161 1 515 . 1 1 53 53 MET HG2 H 1 2.845 0.008 . 2 . . . . A 51 MET HG2 . 34161 1 516 . 1 1 53 53 MET HG3 H 1 2.573 0.009 . 2 . . . . A 51 MET HG3 . 34161 1 517 . 1 1 53 53 MET HE1 H 1 1.954 0.001 . 1 . . . . A 51 MET HE1 . 34161 1 518 . 1 1 53 53 MET HE2 H 1 1.954 0.001 . 1 . . . . A 51 MET HE2 . 34161 1 519 . 1 1 53 53 MET HE3 H 1 1.954 0.001 . 1 . . . . A 51 MET HE3 . 34161 1 520 . 1 1 53 53 MET CA C 13 60.828 0 . 1 . . . . A 51 MET CA . 34161 1 521 . 1 1 53 53 MET CB C 13 35.121 0.026 . 1 . . . . A 51 MET CB . 34161 1 522 . 1 1 53 53 MET CG C 13 34.034 0.034 . 1 . . . . A 51 MET CG . 34161 1 523 . 1 1 53 53 MET CE C 13 19.336 0.013 . 1 . . . . A 51 MET CE . 34161 1 524 . 1 1 53 53 MET N N 15 119.364 0.031 . 1 . . . . A 51 MET N . 34161 1 525 . 1 1 54 54 ILE H H 1 8.552 0.002 . 1 . . . . A 52 ILE H . 34161 1 526 . 1 1 54 54 ILE HA H 1 3.44 0.005 . 1 . . . . A 52 ILE HA . 34161 1 527 . 1 1 54 54 ILE HB H 1 1.903 0.013 . 1 . . . . A 52 ILE HB . 34161 1 528 . 1 1 54 54 ILE HG12 H 1 1.624 0 . 2 . . . . A 52 ILE HG12 . 34161 1 529 . 1 1 54 54 ILE HG13 H 1 1.906 0.013 . 2 . . . . A 52 ILE HG13 . 34161 1 530 . 1 1 54 54 ILE HG21 H 1 0.857 0.004 . 1 . . . . A 52 ILE HG21 . 34161 1 531 . 1 1 54 54 ILE HG22 H 1 0.857 0.004 . 1 . . . . A 52 ILE HG22 . 34161 1 532 . 1 1 54 54 ILE HG23 H 1 0.857 0.004 . 1 . . . . A 52 ILE HG23 . 34161 1 533 . 1 1 54 54 ILE HD11 H 1 0.808 0.014 . 1 . . . . A 52 ILE HD11 . 34161 1 534 . 1 1 54 54 ILE HD12 H 1 0.808 0.014 . 1 . . . . A 52 ILE HD12 . 34161 1 535 . 1 1 54 54 ILE HD13 H 1 0.808 0.014 . 1 . . . . A 52 ILE HD13 . 34161 1 536 . 1 1 54 54 ILE CA C 13 67.044 0.017 . 1 . . . . A 52 ILE CA . 34161 1 537 . 1 1 54 54 ILE CB C 13 39.062 0.007 . 1 . . . . A 52 ILE CB . 34161 1 538 . 1 1 54 54 ILE CG1 C 13 31.779 0.007 . 1 . . . . A 52 ILE CG1 . 34161 1 539 . 1 1 54 54 ILE CG2 C 13 14.871 0.038 . 1 . . . . A 52 ILE CG2 . 34161 1 540 . 1 1 54 54 ILE CD1 C 13 14.793 0.052 . 1 . . . . A 52 ILE CD1 . 34161 1 541 . 1 1 54 54 ILE N N 15 120.372 0.021 . 1 . . . . A 52 ILE N . 34161 1 542 . 1 1 55 55 ASN H H 1 8.174 0.004 . 1 . . . . A 53 ASN H . 34161 1 543 . 1 1 55 55 ASN HA H 1 4.386 0.005 . 1 . . . . A 53 ASN HA . 34161 1 544 . 1 1 55 55 ASN HB2 H 1 2.846 0.008 . 2 . . . . A 53 ASN HB2 . 34161 1 545 . 1 1 55 55 ASN HB3 H 1 2.968 0.011 . 2 . . . . A 53 ASN HB3 . 34161 1 546 . 1 1 55 55 ASN HD21 H 1 7.744 0.003 . 2 . . . . A 53 ASN HD21 . 34161 1 547 . 1 1 55 55 ASN HD22 H 1 6.887 0 . 2 . . . . A 53 ASN HD22 . 34161 1 548 . 1 1 55 55 ASN CA C 13 56.364 0.019 . 1 . . . . A 53 ASN CA . 34161 1 549 . 1 1 55 55 ASN CB C 13 39.131 0.036 . 1 . . . . A 53 ASN CB . 34161 1 550 . 1 1 55 55 ASN N N 15 117.239 0.016 . 1 . . . . A 53 ASN N . 34161 1 551 . 1 1 55 55 ASN ND2 N 15 111.74 0.007 . 1 . . . . A 53 ASN ND2 . 34161 1 552 . 1 1 56 56 GLU H H 1 7.508 0.004 . 1 . . . . A 54 GLU H . 34161 1 553 . 1 1 56 56 GLU HA H 1 4.225 0.006 . 1 . . . . A 54 GLU HA . 34161 1 554 . 1 1 56 56 GLU HB2 H 1 2.135 0.005 . 2 . . . . A 54 GLU HB2 . 34161 1 555 . 1 1 56 56 GLU HB3 H 1 2.137 0.009 . 2 . . . . A 54 GLU HB3 . 34161 1 556 . 1 1 56 56 GLU HG2 H 1 2.359 0.004 . 2 . . . . A 54 GLU HG2 . 34161 1 557 . 1 1 56 56 GLU HG3 H 1 2.359 0.004 . 2 . . . . A 54 GLU HG3 . 34161 1 558 . 1 1 56 56 GLU CA C 13 59.437 0.065 . 1 . . . . A 54 GLU CA . 34161 1 559 . 1 1 56 56 GLU CB C 13 31.54 0.018 . 1 . . . . A 54 GLU CB . 34161 1 560 . 1 1 56 56 GLU CG C 13 37.407 0 . 1 . . . . A 54 GLU CG . 34161 1 561 . 1 1 56 56 GLU N N 15 117.208 0.045 . 1 . . . . A 54 GLU N . 34161 1 562 . 1 1 57 57 VAL H H 1 8.289 0.008 . 1 . . . . A 55 VAL H . 34161 1 563 . 1 1 57 57 VAL HA H 1 4.293 0.011 . 1 . . . . A 55 VAL HA . 34161 1 564 . 1 1 57 57 VAL HB H 1 2.243 0.006 . 1 . . . . A 55 VAL HB . 34161 1 565 . 1 1 57 57 VAL HG11 H 1 1.051 0.003 . 2 . . . . A 55 VAL HG11 . 34161 1 566 . 1 1 57 57 VAL HG12 H 1 1.051 0.003 . 2 . . . . A 55 VAL HG12 . 34161 1 567 . 1 1 57 57 VAL HG13 H 1 1.051 0.003 . 2 . . . . A 55 VAL HG13 . 34161 1 568 . 1 1 57 57 VAL HG21 H 1 1.089 0.007 . 2 . . . . A 55 VAL HG21 . 34161 1 569 . 1 1 57 57 VAL HG22 H 1 1.089 0.007 . 2 . . . . A 55 VAL HG22 . 34161 1 570 . 1 1 57 57 VAL HG23 H 1 1.089 0.007 . 2 . . . . A 55 VAL HG23 . 34161 1 571 . 1 1 57 57 VAL CA C 13 64.141 0.01 . 1 . . . . A 55 VAL CA . 34161 1 572 . 1 1 57 57 VAL CB C 13 33.754 0.071 . 1 . . . . A 55 VAL CB . 34161 1 573 . 1 1 57 57 VAL CG1 C 13 22.516 0.004 . 1 . . . . A 55 VAL CG1 . 34161 1 574 . 1 1 57 57 VAL CG2 C 13 23.365 0.031 . 1 . . . . A 55 VAL CG2 . 34161 1 575 . 1 1 57 57 VAL N N 15 115.416 0.036 . 1 . . . . A 55 VAL N . 34161 1 576 . 1 1 58 58 ASP H H 1 8.557 0.002 . 1 . . . . A 56 ASP H . 34161 1 577 . 1 1 58 58 ASP HA H 1 5.296 0.014 . 1 . . . . A 56 ASP HA . 34161 1 578 . 1 1 58 58 ASP HB2 H 1 2.874 0.01 . 2 . . . . A 56 ASP HB2 . 34161 1 579 . 1 1 58 58 ASP HB3 H 1 2.042 0.008 . 2 . . . . A 56 ASP HB3 . 34161 1 580 . 1 1 58 58 ASP CA C 13 54.251 0.052 . 1 . . . . A 56 ASP CA . 34161 1 581 . 1 1 58 58 ASP CB C 13 42.581 0.036 . 1 . . . . A 56 ASP CB . 34161 1 582 . 1 1 58 58 ASP N N 15 122.959 0.022 . 1 . . . . A 56 ASP N . 34161 1 583 . 1 1 59 59 ALA H H 1 7.533 0.008 . 1 . . . . A 57 ALA H . 34161 1 584 . 1 1 59 59 ALA HA H 1 4.177 0.007 . 1 . . . . A 57 ALA HA . 34161 1 585 . 1 1 59 59 ALA HB1 H 1 1.528 0.002 . 1 . . . . A 57 ALA HB1 . 34161 1 586 . 1 1 59 59 ALA HB2 H 1 1.528 0.002 . 1 . . . . A 57 ALA HB2 . 34161 1 587 . 1 1 59 59 ALA HB3 H 1 1.528 0.002 . 1 . . . . A 57 ALA HB3 . 34161 1 588 . 1 1 59 59 ALA CA C 13 55.973 0 . 1 . . . . A 57 ALA CA . 34161 1 589 . 1 1 59 59 ALA CB C 13 19.518 0.048 . 1 . . . . A 57 ALA CB . 34161 1 590 . 1 1 59 59 ALA N N 15 124.854 0.016 . 1 . . . . A 57 ALA N . 34161 1 591 . 1 1 60 60 ASP H H 1 8.335 0.003 . 1 . . . . A 58 ASP H . 34161 1 592 . 1 1 60 60 ASP HA H 1 4.444 0.001 . 1 . . . . A 58 ASP HA . 34161 1 593 . 1 1 60 60 ASP HB2 H 1 2.819 0.002 . 2 . . . . A 58 ASP HB2 . 34161 1 594 . 1 1 60 60 ASP HB3 H 1 2.69 0.005 . 2 . . . . A 58 ASP HB3 . 34161 1 595 . 1 1 60 60 ASP CB C 13 41.203 0 . 1 . . . . A 58 ASP CB . 34161 1 596 . 1 1 60 60 ASP N N 15 112.874 0.032 . 1 . . . . A 58 ASP N . 34161 1 597 . 1 1 61 61 GLY H H 1 7.736 0.008 . 1 . . . . A 59 GLY H . 34161 1 598 . 1 1 61 61 GLY HA2 H 1 3.99 0.011 . 2 . . . . A 59 GLY HA2 . 34161 1 599 . 1 1 61 61 GLY HA3 H 1 3.888 0.006 . 2 . . . . A 59 GLY HA3 . 34161 1 600 . 1 1 61 61 GLY CA C 13 47.683 0.024 . 1 . . . . A 59 GLY CA . 34161 1 601 . 1 1 61 61 GLY N N 15 107.587 0.023 . 1 . . . . A 59 GLY N . 34161 1 602 . 1 1 62 62 ASN H H 1 8.26 0.003 . 1 . . . . A 60 ASN H . 34161 1 603 . 1 1 62 62 ASN HB2 H 1 3.309 0.009 . 2 . . . . A 60 ASN HB2 . 34161 1 604 . 1 1 62 62 ASN HB3 H 1 2.919 0 . 2 . . . . A 60 ASN HB3 . 34161 1 605 . 1 1 62 62 ASN CB C 13 39.254 0.003 . 1 . . . . A 60 ASN CB . 34161 1 606 . 1 1 62 62 ASN N N 15 118.224 0.019 . 1 . . . . A 60 ASN N . 34161 1 607 . 1 1 63 63 GLY H H 1 9.978 0.006 . 1 . . . . A 61 GLY H . 34161 1 608 . 1 1 63 63 GLY HA2 H 1 4.223 0.011 . 2 . . . . A 61 GLY HA2 . 34161 1 609 . 1 1 63 63 GLY HA3 H 1 3.823 0.009 . 2 . . . . A 61 GLY HA3 . 34161 1 610 . 1 1 63 63 GLY CA C 13 47.144 0.048 . 1 . . . . A 61 GLY CA . 34161 1 611 . 1 1 63 63 GLY N N 15 112.003 0.06 . 1 . . . . A 61 GLY N . 34161 1 612 . 1 1 64 64 THR H H 1 7.877 0.002 . 1 . . . . A 62 THR H . 34161 1 613 . 1 1 64 64 THR HA H 1 5.25 0.021 . 1 . . . . A 62 THR HA . 34161 1 614 . 1 1 64 64 THR HB H 1 4.111 0.008 . 1 . . . . A 62 THR HB . 34161 1 615 . 1 1 64 64 THR HG21 H 1 1.086 0.005 . 1 . . . . A 62 THR HG21 . 34161 1 616 . 1 1 64 64 THR HG22 H 1 1.086 0.005 . 1 . . . . A 62 THR HG22 . 34161 1 617 . 1 1 64 64 THR HG23 H 1 1.086 0.005 . 1 . . . . A 62 THR HG23 . 34161 1 618 . 1 1 64 64 THR CA C 13 60.791 0.045 . 1 . . . . A 62 THR CA . 34161 1 619 . 1 1 64 64 THR CB C 13 73.315 0.019 . 1 . . . . A 62 THR CB . 34161 1 620 . 1 1 64 64 THR CG2 C 13 22.784 0.064 . 1 . . . . A 62 THR CG2 . 34161 1 621 . 1 1 64 64 THR N N 15 111.425 0.029 . 1 . . . . A 62 THR N . 34161 1 622 . 1 1 65 65 ILE H H 1 9.184 0.003 . 1 . . . . A 63 ILE H . 34161 1 623 . 1 1 65 65 ILE HB H 1 1.874 0.008 . 1 . . . . A 63 ILE HB . 34161 1 624 . 1 1 65 65 ILE HG12 H 1 0.997 0.007 . 2 . . . . A 63 ILE HG12 . 34161 1 625 . 1 1 65 65 ILE HG13 H 1 1.514 0.009 . 2 . . . . A 63 ILE HG13 . 34161 1 626 . 1 1 65 65 ILE HG21 H 1 1.107 0.004 . 1 . . . . A 63 ILE HG21 . 34161 1 627 . 1 1 65 65 ILE HG22 H 1 1.107 0.004 . 1 . . . . A 63 ILE HG22 . 34161 1 628 . 1 1 65 65 ILE HG23 H 1 1.107 0.004 . 1 . . . . A 63 ILE HG23 . 34161 1 629 . 1 1 65 65 ILE HD11 H 1 0.872 0.013 . 1 . . . . A 63 ILE HD11 . 34161 1 630 . 1 1 65 65 ILE HD12 H 1 0.872 0.013 . 1 . . . . A 63 ILE HD12 . 34161 1 631 . 1 1 65 65 ILE HD13 H 1 0.872 0.013 . 1 . . . . A 63 ILE HD13 . 34161 1 632 . 1 1 65 65 ILE CB C 13 43.149 0.043 . 1 . . . . A 63 ILE CB . 34161 1 633 . 1 1 65 65 ILE CG1 C 13 27.835 0.03 . 1 . . . . A 63 ILE CG1 . 34161 1 634 . 1 1 65 65 ILE CG2 C 13 19.07 0.009 . 1 . . . . A 63 ILE CG2 . 34161 1 635 . 1 1 65 65 ILE CD1 C 13 16.904 0.033 . 1 . . . . A 63 ILE CD1 . 34161 1 636 . 1 1 65 65 ILE N N 15 121.129 0.038 . 1 . . . . A 63 ILE N . 34161 1 637 . 1 1 66 66 ASP H H 1 8.314 0.007 . 1 . . . . A 64 ASP H . 34161 1 638 . 1 1 66 66 ASP HA H 1 5.577 0.011 . 1 . . . . A 64 ASP HA . 34161 1 639 . 1 1 66 66 ASP HB2 H 1 3.213 0.008 . 2 . . . . A 64 ASP HB2 . 34161 1 640 . 1 1 66 66 ASP HB3 H 1 2.71 0.009 . 2 . . . . A 64 ASP HB3 . 34161 1 641 . 1 1 66 66 ASP CA C 13 53.063 0.033 . 1 . . . . A 64 ASP CA . 34161 1 642 . 1 1 66 66 ASP CB C 13 43.38 0.013 . 1 . . . . A 64 ASP CB . 34161 1 643 . 1 1 66 66 ASP N N 15 124.355 0.02 . 1 . . . . A 64 ASP N . 34161 1 644 . 1 1 67 67 PHE H H 1 8.674 0.002 . 1 . . . . A 65 PHE H . 34161 1 645 . 1 1 67 67 PHE HB2 H 1 2.93 0.001 . 2 . . . . A 65 PHE HB2 . 34161 1 646 . 1 1 67 67 PHE HB3 H 1 2.93 0.001 . 2 . . . . A 65 PHE HB3 . 34161 1 647 . 1 1 67 67 PHE CB C 13 37.356 0.013 . 1 . . . . A 65 PHE CB . 34161 1 648 . 1 1 67 67 PHE N N 15 118.208 0.013 . 1 . . . . A 65 PHE N . 34161 1 649 . 1 1 68 68 PRO HG2 H 1 2.238 0.003 . 1 . . . . A 66 PRO HG2 . 34161 1 650 . 1 1 68 68 PRO HG3 H 1 1.935 0.012 . 1 . . . . A 66 PRO HG3 . 34161 1 651 . 1 1 68 68 PRO HD2 H 1 3.855 0.002 . 2 . . . . A 66 PRO HD2 . 34161 1 652 . 1 1 68 68 PRO HD3 H 1 3.855 0.002 . 2 . . . . A 66 PRO HD3 . 34161 1 653 . 1 1 68 68 PRO CG C 13 29.616 0.027 . 1 . . . . A 66 PRO CG . 34161 1 654 . 1 1 68 68 PRO CD C 13 50.305 0.015 . 1 . . . . A 66 PRO CD . 34161 1 655 . 1 1 69 69 GLN H H 1 8.206 0.008 . 1 . . . . A 67 GLN H . 34161 1 656 . 1 1 69 69 GLN HA H 1 4.029 0 . 1 . . . . A 67 GLN HA . 34161 1 657 . 1 1 69 69 GLN HB2 H 1 2.632 0.007 . 2 . . . . A 67 GLN HB2 . 34161 1 658 . 1 1 69 69 GLN HB3 H 1 1.85 0.007 . 2 . . . . A 67 GLN HB3 . 34161 1 659 . 1 1 69 69 GLN HG2 H 1 2.967 0.008 . 2 . . . . A 67 GLN HG2 . 34161 1 660 . 1 1 69 69 GLN HG3 H 1 2.53 0.009 . 2 . . . . A 67 GLN HG3 . 34161 1 661 . 1 1 69 69 GLN HE21 H 1 6.722 0 . 2 . . . . A 67 GLN HE21 . 34161 1 662 . 1 1 69 69 GLN HE22 H 1 7.494 0 . 2 . . . . A 67 GLN HE22 . 34161 1 663 . 1 1 69 69 GLN CB C 13 29.659 0.059 . 1 . . . . A 67 GLN CB . 34161 1 664 . 1 1 69 69 GLN CG C 13 35.69 0.119 . 1 . . . . A 67 GLN CG . 34161 1 665 . 1 1 69 69 GLN N N 15 117.041 0.029 . 1 . . . . A 67 GLN N . 34161 1 666 . 1 1 69 69 GLN NE2 N 15 111.11 0.004 . 1 . . . . A 67 GLN NE2 . 34161 1 667 . 1 1 70 70 PHE H H 1 8.427 0.004 . 1 . . . . A 68 PHE H . 34161 1 668 . 1 1 70 70 PHE HA H 1 4.035 0.01 . 1 . . . . A 68 PHE HA . 34161 1 669 . 1 1 70 70 PHE HB2 H 1 3.314 0.007 . 2 . . . . A 68 PHE HB2 . 34161 1 670 . 1 1 70 70 PHE HB3 H 1 3.15 0.009 . 2 . . . . A 68 PHE HB3 . 34161 1 671 . 1 1 70 70 PHE HD1 H 1 7.05 0 . 1 . . . . A 68 PHE HD1 . 34161 1 672 . 1 1 70 70 PHE HD2 H 1 7.05 0 . 1 . . . . A 68 PHE HD2 . 34161 1 673 . 1 1 70 70 PHE HE1 H 1 7.44 0.009 . 1 . . . . A 68 PHE HE1 . 34161 1 674 . 1 1 70 70 PHE HE2 H 1 7.44 0.009 . 1 . . . . A 68 PHE HE2 . 34161 1 675 . 1 1 70 70 PHE CA C 13 62.456 0.044 . 1 . . . . A 68 PHE CA . 34161 1 676 . 1 1 70 70 PHE CB C 13 40.644 0.052 . 1 . . . . A 68 PHE CB . 34161 1 677 . 1 1 70 70 PHE CE1 C 13 129.839 0.038 . 1 . . . . A 68 PHE CE1 . 34161 1 678 . 1 1 70 70 PHE N N 15 122.337 0.036 . 1 . . . . A 68 PHE N . 34161 1 679 . 1 1 71 71 LEU H H 1 8.576 0.001 . 1 . . . . A 69 LEU H . 34161 1 680 . 1 1 71 71 LEU HA H 1 3.323 0.009 . 1 . . . . A 69 LEU HA . 34161 1 681 . 1 1 71 71 LEU HB2 H 1 1.332 0.011 . 2 . . . . A 69 LEU HB2 . 34161 1 682 . 1 1 71 71 LEU HB3 H 1 1.249 0.006 . 2 . . . . A 69 LEU HB3 . 34161 1 683 . 1 1 71 71 LEU HG H 1 1.034 0.013 . 1 . . . . A 69 LEU HG . 34161 1 684 . 1 1 71 71 LEU HD11 H 1 0.8 0.001 . 2 . . . . A 69 LEU HD11 . 34161 1 685 . 1 1 71 71 LEU HD12 H 1 0.8 0.001 . 2 . . . . A 69 LEU HD12 . 34161 1 686 . 1 1 71 71 LEU HD13 H 1 0.8 0.001 . 2 . . . . A 69 LEU HD13 . 34161 1 687 . 1 1 71 71 LEU HD21 H 1 0.753 0.01 . 2 . . . . A 69 LEU HD21 . 34161 1 688 . 1 1 71 71 LEU HD22 H 1 0.753 0.01 . 2 . . . . A 69 LEU HD22 . 34161 1 689 . 1 1 71 71 LEU HD23 H 1 0.753 0.01 . 2 . . . . A 69 LEU HD23 . 34161 1 690 . 1 1 71 71 LEU CA C 13 58.79 0.024 . 1 . . . . A 69 LEU CA . 34161 1 691 . 1 1 71 71 LEU CB C 13 42.384 0.024 . 1 . . . . A 69 LEU CB . 34161 1 692 . 1 1 71 71 LEU CG C 13 26.765 0.047 . 1 . . . . A 69 LEU CG . 34161 1 693 . 1 1 71 71 LEU CD1 C 13 25.593 0 . 1 . . . . A 69 LEU CD1 . 34161 1 694 . 1 1 71 71 LEU CD2 C 13 26.629 0.034 . 1 . . . . A 69 LEU CD2 . 34161 1 695 . 1 1 71 71 LEU N N 15 119.007 0.019 . 1 . . . . A 69 LEU N . 34161 1 696 . 1 1 72 72 THR H H 1 7.757 0.002 . 1 . . . . A 70 THR H . 34161 1 697 . 1 1 72 72 THR HA H 1 3.751 0.011 . 1 . . . . A 70 THR HA . 34161 1 698 . 1 1 72 72 THR HB H 1 4.284 0 . 1 . . . . A 70 THR HB . 34161 1 699 . 1 1 72 72 THR HG21 H 1 1.235 0.008 . 1 . . . . A 70 THR HG21 . 34161 1 700 . 1 1 72 72 THR HG22 H 1 1.235 0.008 . 1 . . . . A 70 THR HG22 . 34161 1 701 . 1 1 72 72 THR HG23 H 1 1.235 0.008 . 1 . . . . A 70 THR HG23 . 34161 1 702 . 1 1 72 72 THR CA C 13 67.8 0.068 . 1 . . . . A 70 THR CA . 34161 1 703 . 1 1 72 72 THR CB C 13 69.612 0.051 . 1 . . . . A 70 THR CB . 34161 1 704 . 1 1 72 72 THR N N 15 114.827 0.023 . 1 . . . . A 70 THR N . 34161 1 705 . 1 1 73 73 MET H H 1 7.6 0.002 . 1 . . . . A 71 MET H . 34161 1 706 . 1 1 73 73 MET HA H 1 4.002 0.002 . 1 . . . . A 71 MET HA . 34161 1 707 . 1 1 73 73 MET HB2 H 1 2.025 0.005 . 2 . . . . A 71 MET HB2 . 34161 1 708 . 1 1 73 73 MET HB3 H 1 2.021 0.01 . 2 . . . . A 71 MET HB3 . 34161 1 709 . 1 1 73 73 MET HG2 H 1 2.648 0 . 2 . . . . A 71 MET HG2 . 34161 1 710 . 1 1 73 73 MET HG3 H 1 2.586 0.001 . 2 . . . . A 71 MET HG3 . 34161 1 711 . 1 1 73 73 MET CA C 13 59.745 0.002 . 1 . . . . A 71 MET CA . 34161 1 712 . 1 1 73 73 MET CB C 13 33.774 0.011 . 1 . . . . A 71 MET CB . 34161 1 713 . 1 1 73 73 MET CG C 13 33.122 0.006 . 1 . . . . A 71 MET CG . 34161 1 714 . 1 1 73 73 MET N N 15 120.977 0.022 . 1 . . . . A 71 MET N . 34161 1 715 . 1 1 74 74 MET H H 1 7.991 0.002 . 1 . . . . A 72 MET H . 34161 1 716 . 1 1 74 74 MET HA H 1 4.061 0.006 . 1 . . . . A 72 MET HA . 34161 1 717 . 1 1 74 74 MET HB2 H 1 1.4 0.009 . 2 . . . . A 72 MET HB2 . 34161 1 718 . 1 1 74 74 MET HB3 H 1 1.272 0.01 . 2 . . . . A 72 MET HB3 . 34161 1 719 . 1 1 74 74 MET HG2 H 1 2.72 0.001 . 2 . . . . A 72 MET HG2 . 34161 1 720 . 1 1 74 74 MET HG3 H 1 2.72 0.001 . 2 . . . . A 72 MET HG3 . 34161 1 721 . 1 1 74 74 MET CA C 13 56.904 0.06 . 1 . . . . A 72 MET CA . 34161 1 722 . 1 1 74 74 MET CB C 13 31.763 0.085 . 1 . . . . A 72 MET CB . 34161 1 723 . 1 1 74 74 MET CG C 13 33.575 0.039 . 1 . . . . A 72 MET CG . 34161 1 724 . 1 1 74 74 MET N N 15 117.593 0.014 . 1 . . . . A 72 MET N . 34161 1 725 . 1 1 75 75 ALA H H 1 8.376 0.002 . 1 . . . . A 73 ALA H . 34161 1 726 . 1 1 75 75 ALA HA H 1 4.021 0.006 . 1 . . . . A 73 ALA HA . 34161 1 727 . 1 1 75 75 ALA HB1 H 1 1.414 0.002 . 1 . . . . A 73 ALA HB1 . 34161 1 728 . 1 1 75 75 ALA HB2 H 1 1.414 0.002 . 1 . . . . A 73 ALA HB2 . 34161 1 729 . 1 1 75 75 ALA HB3 H 1 1.414 0.002 . 1 . . . . A 73 ALA HB3 . 34161 1 730 . 1 1 75 75 ALA CA C 13 55.947 0.023 . 1 . . . . A 73 ALA CA . 34161 1 731 . 1 1 75 75 ALA CB C 13 19.205 0.021 . 1 . . . . A 73 ALA CB . 34161 1 732 . 1 1 75 75 ALA N N 15 121.266 0.036 . 1 . . . . A 73 ALA N . 34161 1 733 . 1 1 76 76 ARG H H 1 7.53 0.001 . 1 . . . . A 74 ARG H . 34161 1 734 . 1 1 76 76 ARG HA H 1 4.078 0.013 . 1 . . . . A 74 ARG HA . 34161 1 735 . 1 1 76 76 ARG HB2 H 1 1.967 0.007 . 2 . . . . A 74 ARG HB2 . 34161 1 736 . 1 1 76 76 ARG HB3 H 1 1.949 0.015 . 2 . . . . A 74 ARG HB3 . 34161 1 737 . 1 1 76 76 ARG HG2 H 1 1.616 0.003 . 2 . . . . A 74 ARG HG2 . 34161 1 738 . 1 1 76 76 ARG HG3 H 1 1.615 0.001 . 2 . . . . A 74 ARG HG3 . 34161 1 739 . 1 1 76 76 ARG HD2 H 1 3.154 0.002 . 2 . . . . A 74 ARG HD2 . 34161 1 740 . 1 1 76 76 ARG HD3 H 1 3.154 0.002 . 2 . . . . A 74 ARG HD3 . 34161 1 741 . 1 1 76 76 ARG CA C 13 59.715 0.003 . 1 . . . . A 74 ARG CA . 34161 1 742 . 1 1 76 76 ARG CB C 13 31.256 0.022 . 1 . . . . A 74 ARG CB . 34161 1 743 . 1 1 76 76 ARG CG C 13 28.778 0.013 . 1 . . . . A 74 ARG CG . 34161 1 744 . 1 1 76 76 ARG N N 15 116.668 0.006 . 1 . . . . A 74 ARG N . 34161 1 745 . 1 1 77 77 LYS H H 1 7.797 0.004 . 1 . . . . A 75 LYS H . 34161 1 746 . 1 1 77 77 LYS HA H 1 4.251 0.006 . 1 . . . . A 75 LYS HA . 34161 1 747 . 1 1 77 77 LYS HB2 H 1 1.818 0.003 . 2 . . . . A 75 LYS HB2 . 34161 1 748 . 1 1 77 77 LYS HB3 H 1 1.819 0.002 . 2 . . . . A 75 LYS HB3 . 34161 1 749 . 1 1 77 77 LYS HG2 H 1 1.417 0.014 . 2 . . . . A 75 LYS HG2 . 34161 1 750 . 1 1 77 77 LYS HG3 H 1 1.417 0.014 . 2 . . . . A 75 LYS HG3 . 34161 1 751 . 1 1 77 77 LYS HD2 H 1 1.717 0.008 . 2 . . . . A 75 LYS HD2 . 34161 1 752 . 1 1 77 77 LYS HD3 H 1 1.628 0.006 . 2 . . . . A 75 LYS HD3 . 34161 1 753 . 1 1 77 77 LYS HE2 H 1 2.978 0.009 . 2 . . . . A 75 LYS HE2 . 34161 1 754 . 1 1 77 77 LYS HE3 H 1 2.886 0.009 . 2 . . . . A 75 LYS HE3 . 34161 1 755 . 1 1 77 77 LYS CA C 13 57.918 0.067 . 1 . . . . A 75 LYS CA . 34161 1 756 . 1 1 77 77 LYS CB C 13 32.865 0.013 . 1 . . . . A 75 LYS CB . 34161 1 757 . 1 1 77 77 LYS CG C 13 25.764 0.002 . 1 . . . . A 75 LYS CG . 34161 1 758 . 1 1 77 77 LYS CD C 13 29.21 0.052 . 1 . . . . A 75 LYS CD . 34161 1 759 . 1 1 77 77 LYS CE C 13 42.864 0.023 . 1 . . . . A 75 LYS CE . 34161 1 760 . 1 1 77 77 LYS N N 15 118.414 0.024 . 1 . . . . A 75 LYS N . 34161 1 761 . 1 1 78 78 MET H H 1 8.002 0.003 . 1 . . . . A 76 MET H . 34161 1 762 . 1 1 78 78 MET HA H 1 4.338 0.008 . 1 . . . . A 76 MET HA . 34161 1 763 . 1 1 78 78 MET HB2 H 1 2.124 0.015 . 2 . . . . A 76 MET HB2 . 34161 1 764 . 1 1 78 78 MET HB3 H 1 2.124 0.015 . 2 . . . . A 76 MET HB3 . 34161 1 765 . 1 1 78 78 MET HG2 H 1 2.587 0.012 . 2 . . . . A 76 MET HG2 . 34161 1 766 . 1 1 78 78 MET HG3 H 1 2.587 0.012 . 2 . . . . A 76 MET HG3 . 34161 1 767 . 1 1 78 78 MET HE1 H 1 2.131 0 . 1 . . . . A 76 MET HE1 . 34161 1 768 . 1 1 78 78 MET HE2 H 1 2.131 0 . 1 . . . . A 76 MET HE2 . 34161 1 769 . 1 1 78 78 MET HE3 H 1 2.131 0 . 1 . . . . A 76 MET HE3 . 34161 1 770 . 1 1 78 78 MET CA C 13 57.801 0.016 . 1 . . . . A 76 MET CA . 34161 1 771 . 1 1 78 78 MET CB C 13 33.977 0.029 . 1 . . . . A 76 MET CB . 34161 1 772 . 1 1 78 78 MET CG C 13 32.797 0 . 1 . . . . A 76 MET CG . 34161 1 773 . 1 1 78 78 MET N N 15 117.921 0.016 . 1 . . . . A 76 MET N . 34161 1 774 . 1 1 79 79 LYS H H 1 7.73 0.004 . 1 . . . . A 77 LYS H . 34161 1 775 . 1 1 79 79 LYS HA H 1 4.35 0.008 . 1 . . . . A 77 LYS HA . 34161 1 776 . 1 1 79 79 LYS HB2 H 1 1.949 0.002 . 2 . . . . A 77 LYS HB2 . 34161 1 777 . 1 1 79 79 LYS HB3 H 1 1.894 0.009 . 2 . . . . A 77 LYS HB3 . 34161 1 778 . 1 1 79 79 LYS HG2 H 1 1.523 0.022 . 2 . . . . A 77 LYS HG2 . 34161 1 779 . 1 1 79 79 LYS HG3 H 1 1.494 0.019 . 2 . . . . A 77 LYS HG3 . 34161 1 780 . 1 1 79 79 LYS HD2 H 1 1.724 0.015 . 2 . . . . A 77 LYS HD2 . 34161 1 781 . 1 1 79 79 LYS HD3 H 1 1.677 0.005 . 2 . . . . A 77 LYS HD3 . 34161 1 782 . 1 1 79 79 LYS HE2 H 1 3.018 0.002 . 2 . . . . A 77 LYS HE2 . 34161 1 783 . 1 1 79 79 LYS HE3 H 1 3.018 0.002 . 2 . . . . A 77 LYS HE3 . 34161 1 784 . 1 1 79 79 LYS CA C 13 57.865 0.01 . 1 . . . . A 77 LYS CA . 34161 1 785 . 1 1 79 79 LYS CB C 13 33.898 0.025 . 1 . . . . A 77 LYS CB . 34161 1 786 . 1 1 79 79 LYS CG C 13 25.983 0.018 . 1 . . . . A 77 LYS CG . 34161 1 787 . 1 1 79 79 LYS CD C 13 30.033 0 . 1 . . . . A 77 LYS CD . 34161 1 788 . 1 1 79 79 LYS CE C 13 43.463 0 . 1 . . . . A 77 LYS CE . 34161 1 789 . 1 1 79 79 LYS N N 15 119.966 0.041 . 1 . . . . A 77 LYS N . 34161 1 790 . 1 1 80 80 ASP H H 1 8.216 0.006 . 1 . . . . A 78 ASP H . 34161 1 791 . 1 1 80 80 ASP HB2 H 1 2.744 0 . 2 . . . . A 78 ASP HB2 . 34161 1 792 . 1 1 80 80 ASP HB3 H 1 2.847 0 . 2 . . . . A 78 ASP HB3 . 34161 1 793 . 1 1 80 80 ASP CB C 13 42.155 0 . 1 . . . . A 78 ASP CB . 34161 1 794 . 1 1 80 80 ASP N N 15 121.616 0.006 . 1 . . . . A 78 ASP N . 34161 1 795 . 1 1 81 81 THR H H 1 8.121 0.001 . 1 . . . . A 79 THR H . 34161 1 796 . 1 1 81 81 THR HA H 1 4.376 0.001 . 1 . . . . A 79 THR HA . 34161 1 797 . 1 1 81 81 THR HB H 1 4.347 0.004 . 1 . . . . A 79 THR HB . 34161 1 798 . 1 1 81 81 THR HG21 H 1 1.255 0.011 . 1 . . . . A 79 THR HG21 . 34161 1 799 . 1 1 81 81 THR HG22 H 1 1.255 0.011 . 1 . . . . A 79 THR HG22 . 34161 1 800 . 1 1 81 81 THR HG23 H 1 1.255 0.011 . 1 . . . . A 79 THR HG23 . 34161 1 801 . 1 1 81 81 THR CA C 13 63.508 0.009 . 1 . . . . A 79 THR CA . 34161 1 802 . 1 1 81 81 THR CB C 13 70.747 0 . 1 . . . . A 79 THR CB . 34161 1 803 . 1 1 81 81 THR CG2 C 13 22.824 0.038 . 1 . . . . A 79 THR CG2 . 34161 1 804 . 1 1 81 81 THR N N 15 114.91 0.027 . 1 . . . . A 79 THR N . 34161 1 805 . 1 1 82 82 ASP H H 1 8.424 0.002 . 1 . . . . A 80 ASP H . 34161 1 806 . 1 1 82 82 ASP N N 15 123.359 0.018 . 1 . . . . A 80 ASP N . 34161 1 807 . 1 1 84 84 GLU H H 1 8.322 0.007 . 1 . . . . A 82 GLU H . 34161 1 808 . 1 1 84 84 GLU HA H 1 4.158 0.01 . 1 . . . . A 82 GLU HA . 34161 1 809 . 1 1 84 84 GLU HB2 H 1 2.16 0.005 . 2 . . . . A 82 GLU HB2 . 34161 1 810 . 1 1 84 84 GLU HB3 H 1 2.161 0.006 . 2 . . . . A 82 GLU HB3 . 34161 1 811 . 1 1 84 84 GLU HG2 H 1 2.325 0.005 . 2 . . . . A 82 GLU HG2 . 34161 1 812 . 1 1 84 84 GLU HG3 H 1 2.325 0.004 . 2 . . . . A 82 GLU HG3 . 34161 1 813 . 1 1 84 84 GLU CB C 13 30.552 0.025 . 1 . . . . A 82 GLU CB . 34161 1 814 . 1 1 84 84 GLU CG C 13 37.199 0.011 . 1 . . . . A 82 GLU CG . 34161 1 815 . 1 1 84 84 GLU N N 15 121.999 0.012 . 1 . . . . A 82 GLU N . 34161 1 816 . 1 1 85 85 GLU H H 1 8.261 0 . 1 . . . . A 83 GLU H . 34161 1 817 . 1 1 85 85 GLU HA H 1 4.088 0.004 . 1 . . . . A 83 GLU HA . 34161 1 818 . 1 1 85 85 GLU HB2 H 1 2.145 0.007 . 2 . . . . A 83 GLU HB2 . 34161 1 819 . 1 1 85 85 GLU HB3 H 1 2.145 0.007 . 2 . . . . A 83 GLU HB3 . 34161 1 820 . 1 1 85 85 GLU HG2 H 1 2.526 0.005 . 2 . . . . A 83 GLU HG2 . 34161 1 821 . 1 1 85 85 GLU HG3 H 1 2.526 0.005 . 2 . . . . A 83 GLU HG3 . 34161 1 822 . 1 1 85 85 GLU CA C 13 60.686 0 . 1 . . . . A 83 GLU CA . 34161 1 823 . 1 1 85 85 GLU CB C 13 30.356 0.038 . 1 . . . . A 83 GLU CB . 34161 1 824 . 1 1 85 85 GLU CG C 13 37.488 0.005 . 1 . . . . A 83 GLU CG . 34161 1 825 . 1 1 85 85 GLU N N 15 119.668 0.01 . 1 . . . . A 83 GLU N . 34161 1 826 . 1 1 86 86 GLU H H 1 8.392 0.001 . 1 . . . . A 84 GLU H . 34161 1 827 . 1 1 86 86 GLU HA H 1 4.174 0.007 . 1 . . . . A 84 GLU HA . 34161 1 828 . 1 1 86 86 GLU HB2 H 1 2.166 0.003 . 2 . . . . A 84 GLU HB2 . 34161 1 829 . 1 1 86 86 GLU HB3 H 1 2.166 0.002 . 2 . . . . A 84 GLU HB3 . 34161 1 830 . 1 1 86 86 GLU HG2 H 1 2.452 0.002 . 2 . . . . A 84 GLU HG2 . 34161 1 831 . 1 1 86 86 GLU HG3 H 1 2.452 0.002 . 2 . . . . A 84 GLU HG3 . 34161 1 832 . 1 1 86 86 GLU CA C 13 60.561 0.037 . 1 . . . . A 84 GLU CA . 34161 1 833 . 1 1 86 86 GLU CB C 13 30.469 0 . 1 . . . . A 84 GLU CB . 34161 1 834 . 1 1 86 86 GLU CG C 13 37.213 0.006 . 1 . . . . A 84 GLU CG . 34161 1 835 . 1 1 86 86 GLU N N 15 118.761 0.02 . 1 . . . . A 84 GLU N . 34161 1 836 . 1 1 87 87 ILE H H 1 8.013 0.004 . 1 . . . . A 85 ILE H . 34161 1 837 . 1 1 87 87 ILE HA H 1 3.806 0.005 . 1 . . . . A 85 ILE HA . 34161 1 838 . 1 1 87 87 ILE HB H 1 2.179 0.006 . 1 . . . . A 85 ILE HB . 34161 1 839 . 1 1 87 87 ILE HG12 H 1 2.134 0.008 . 2 . . . . A 85 ILE HG12 . 34161 1 840 . 1 1 87 87 ILE HG13 H 1 0.991 0.007 . 2 . . . . A 85 ILE HG13 . 34161 1 841 . 1 1 87 87 ILE HG21 H 1 1.13 0.006 . 1 . . . . A 85 ILE HG21 . 34161 1 842 . 1 1 87 87 ILE HG22 H 1 1.13 0.006 . 1 . . . . A 85 ILE HG22 . 34161 1 843 . 1 1 87 87 ILE HG23 H 1 1.13 0.006 . 1 . . . . A 85 ILE HG23 . 34161 1 844 . 1 1 87 87 ILE HD11 H 1 0.832 0.029 . 1 . . . . A 85 ILE HD11 . 34161 1 845 . 1 1 87 87 ILE HD12 H 1 0.832 0.029 . 1 . . . . A 85 ILE HD12 . 34161 1 846 . 1 1 87 87 ILE HD13 H 1 0.832 0.029 . 1 . . . . A 85 ILE HD13 . 34161 1 847 . 1 1 87 87 ILE CA C 13 66.724 0.05 . 1 . . . . A 85 ILE CA . 34161 1 848 . 1 1 87 87 ILE CB C 13 38.801 0.007 . 1 . . . . A 85 ILE CB . 34161 1 849 . 1 1 87 87 ILE CG1 C 13 31.499 0.009 . 1 . . . . A 85 ILE CG1 . 34161 1 850 . 1 1 87 87 ILE CG2 C 13 20.278 0.012 . 1 . . . . A 85 ILE CG2 . 34161 1 851 . 1 1 87 87 ILE CD1 C 13 14.476 0.059 . 1 . . . . A 85 ILE CD1 . 34161 1 852 . 1 1 87 87 ILE N N 15 121.068 0.008 . 1 . . . . A 85 ILE N . 34161 1 853 . 1 1 88 88 ARG H H 1 8.439 0.002 . 1 . . . . A 86 ARG H . 34161 1 854 . 1 1 88 88 ARG HA H 1 4.206 0.006 . 1 . . . . A 86 ARG HA . 34161 1 855 . 1 1 88 88 ARG HB2 H 1 2.097 0.009 . 2 . . . . A 86 ARG HB2 . 34161 1 856 . 1 1 88 88 ARG HB3 H 1 2.095 0.012 . 2 . . . . A 86 ARG HB3 . 34161 1 857 . 1 1 88 88 ARG HG2 H 1 1.883 0.016 . 2 . . . . A 86 ARG HG2 . 34161 1 858 . 1 1 88 88 ARG HG3 H 1 1.883 0.016 . 2 . . . . A 86 ARG HG3 . 34161 1 859 . 1 1 88 88 ARG HD2 H 1 3.05 0.002 . 2 . . . . A 86 ARG HD2 . 34161 1 860 . 1 1 88 88 ARG HD3 H 1 3.05 0.002 . 2 . . . . A 86 ARG HD3 . 34161 1 861 . 1 1 88 88 ARG CA C 13 61.17 0.052 . 1 . . . . A 86 ARG CA . 34161 1 862 . 1 1 88 88 ARG CB C 13 31.146 0.017 . 1 . . . . A 86 ARG CB . 34161 1 863 . 1 1 88 88 ARG CG C 13 28.702 0.008 . 1 . . . . A 86 ARG CG . 34161 1 864 . 1 1 88 88 ARG CD C 13 44.265 0.02 . 1 . . . . A 86 ARG CD . 34161 1 865 . 1 1 88 88 ARG N N 15 121.766 0.024 . 1 . . . . A 86 ARG N . 34161 1 866 . 1 1 89 89 GLU H H 1 8.191 0.002 . 1 . . . . A 87 GLU H . 34161 1 867 . 1 1 89 89 GLU HA H 1 4.148 0.008 . 1 . . . . A 87 GLU HA . 34161 1 868 . 1 1 89 89 GLU HB2 H 1 2.105 0 . 2 . . . . A 87 GLU HB2 . 34161 1 869 . 1 1 89 89 GLU HB3 H 1 2.105 0 . 2 . . . . A 87 GLU HB3 . 34161 1 870 . 1 1 89 89 GLU CA C 13 59.814 0.048 . 1 . . . . A 87 GLU CA . 34161 1 871 . 1 1 89 89 GLU CB C 13 30.234 0 . 1 . . . . A 87 GLU CB . 34161 1 872 . 1 1 89 89 GLU N N 15 118.691 0.029 . 1 . . . . A 87 GLU N . 34161 1 873 . 1 1 90 90 ALA H H 1 7.842 0.004 . 1 . . . . A 88 ALA H . 34161 1 874 . 1 1 90 90 ALA HA H 1 3.794 0.005 . 1 . . . . A 88 ALA HA . 34161 1 875 . 1 1 90 90 ALA HB1 H 1 1.493 0.008 . 1 . . . . A 88 ALA HB1 . 34161 1 876 . 1 1 90 90 ALA HB2 H 1 1.493 0.008 . 1 . . . . A 88 ALA HB2 . 34161 1 877 . 1 1 90 90 ALA HB3 H 1 1.493 0.008 . 1 . . . . A 88 ALA HB3 . 34161 1 878 . 1 1 90 90 ALA CA C 13 55.815 0.031 . 1 . . . . A 88 ALA CA . 34161 1 879 . 1 1 90 90 ALA CB C 13 19.265 0.015 . 1 . . . . A 88 ALA CB . 34161 1 880 . 1 1 90 90 ALA N N 15 121.264 0.032 . 1 . . . . A 88 ALA N . 34161 1 881 . 1 1 91 91 PHE H H 1 8.28 0.002 . 1 . . . . A 89 PHE H . 34161 1 882 . 1 1 91 91 PHE HA H 1 3.092 0.011 . 1 . . . . A 89 PHE HA . 34161 1 883 . 1 1 91 91 PHE HB2 H 1 3.229 0.01 . 2 . . . . A 89 PHE HB2 . 34161 1 884 . 1 1 91 91 PHE HB3 H 1 3.083 0.007 . 2 . . . . A 89 PHE HB3 . 34161 1 885 . 1 1 91 91 PHE HD1 H 1 7.414 0 . 1 . . . . A 89 PHE HD1 . 34161 1 886 . 1 1 91 91 PHE HD2 H 1 7.414 0 . 1 . . . . A 89 PHE HD2 . 34161 1 887 . 1 1 91 91 PHE HE1 H 1 7.494 0 . 1 . . . . A 89 PHE HE1 . 34161 1 888 . 1 1 91 91 PHE HE2 H 1 7.494 0 . 1 . . . . A 89 PHE HE2 . 34161 1 889 . 1 1 91 91 PHE CA C 13 63.633 0.042 . 1 . . . . A 89 PHE CA . 34161 1 890 . 1 1 91 91 PHE CB C 13 40.148 0.043 . 1 . . . . A 89 PHE CB . 34161 1 891 . 1 1 91 91 PHE CE2 C 13 129.676 0.008 . 1 . . . . A 89 PHE CE2 . 34161 1 892 . 1 1 91 91 PHE N N 15 116.822 0.023 . 1 . . . . A 89 PHE N . 34161 1 893 . 1 1 92 92 ARG H H 1 7.651 0.003 . 1 . . . . A 90 ARG H . 34161 1 894 . 1 1 92 92 ARG HA H 1 3.952 0.006 . 1 . . . . A 90 ARG HA . 34161 1 895 . 1 1 92 92 ARG HB2 H 1 1.99 0.001 . 2 . . . . A 90 ARG HB2 . 34161 1 896 . 1 1 92 92 ARG HB3 H 1 1.99 0.001 . 2 . . . . A 90 ARG HB3 . 34161 1 897 . 1 1 92 92 ARG HG2 H 1 1.686 0.01 . 2 . . . . A 90 ARG HG2 . 34161 1 898 . 1 1 92 92 ARG HG3 H 1 1.686 0.01 . 2 . . . . A 90 ARG HG3 . 34161 1 899 . 1 1 92 92 ARG HD2 H 1 3.271 0.005 . 2 . . . . A 90 ARG HD2 . 34161 1 900 . 1 1 92 92 ARG HD3 H 1 3.212 0.028 . 2 . . . . A 90 ARG HD3 . 34161 1 901 . 1 1 92 92 ARG CA C 13 60.031 0.037 . 1 . . . . A 90 ARG CA . 34161 1 902 . 1 1 92 92 ARG CB C 13 31.207 0 . 1 . . . . A 90 ARG CB . 34161 1 903 . 1 1 92 92 ARG CG C 13 28.789 0.013 . 1 . . . . A 90 ARG CG . 34161 1 904 . 1 1 92 92 ARG CD C 13 44.686 0.009 . 1 . . . . A 90 ARG CD . 34161 1 905 . 1 1 92 92 ARG N N 15 114.764 0.035 . 1 . . . . A 90 ARG N . 34161 1 906 . 1 1 93 93 VAL H H 1 7.538 0.004 . 1 . . . . A 91 VAL H . 34161 1 907 . 1 1 93 93 VAL HA H 1 3.625 0.007 . 1 . . . . A 91 VAL HA . 34161 1 908 . 1 1 93 93 VAL HB H 1 2.045 0.009 . 1 . . . . A 91 VAL HB . 34161 1 909 . 1 1 93 93 VAL HG11 H 1 1.033 0.005 . 2 . . . . A 91 VAL HG11 . 34161 1 910 . 1 1 93 93 VAL HG12 H 1 1.033 0.005 . 2 . . . . A 91 VAL HG12 . 34161 1 911 . 1 1 93 93 VAL HG13 H 1 1.033 0.005 . 2 . . . . A 91 VAL HG13 . 34161 1 912 . 1 1 93 93 VAL HG21 H 1 0.955 0.005 . 2 . . . . A 91 VAL HG21 . 34161 1 913 . 1 1 93 93 VAL HG22 H 1 0.955 0.005 . 2 . . . . A 91 VAL HG22 . 34161 1 914 . 1 1 93 93 VAL HG23 H 1 0.955 0.005 . 2 . . . . A 91 VAL HG23 . 34161 1 915 . 1 1 93 93 VAL CA C 13 66.291 0.012 . 1 . . . . A 91 VAL CA . 34161 1 916 . 1 1 93 93 VAL CB C 13 32.633 0.056 . 1 . . . . A 91 VAL CB . 34161 1 917 . 1 1 93 93 VAL CG1 C 13 23.681 0.038 . 1 . . . . A 91 VAL CG1 . 34161 1 918 . 1 1 93 93 VAL CG2 C 13 22.448 0.031 . 1 . . . . A 91 VAL CG2 . 34161 1 919 . 1 1 93 93 VAL N N 15 117.861 0.031 . 1 . . . . A 91 VAL N . 34161 1 920 . 1 1 94 94 PHE H H 1 7.997 0.003 . 1 . . . . A 92 PHE H . 34161 1 921 . 1 1 94 94 PHE HA H 1 4.45 0.001 . 1 . . . . A 92 PHE HA . 34161 1 922 . 1 1 94 94 PHE HB2 H 1 2.798 0.016 . 2 . . . . A 92 PHE HB2 . 34161 1 923 . 1 1 94 94 PHE HB3 H 1 2.801 0.016 . 2 . . . . A 92 PHE HB3 . 34161 1 924 . 1 1 94 94 PHE HD1 H 1 7.062 0.003 . 1 . . . . A 92 PHE HD1 . 34161 1 925 . 1 1 94 94 PHE HD2 H 1 7.062 0.003 . 1 . . . . A 92 PHE HD2 . 34161 1 926 . 1 1 94 94 PHE HE1 H 1 7.458 0.007 . 1 . . . . A 92 PHE HE1 . 34161 1 927 . 1 1 94 94 PHE HE2 H 1 7.458 0.007 . 1 . . . . A 92 PHE HE2 . 34161 1 928 . 1 1 94 94 PHE CA C 13 57.836 0.035 . 1 . . . . A 92 PHE CA . 34161 1 929 . 1 1 94 94 PHE CB C 13 39.147 0.007 . 1 . . . . A 92 PHE CB . 34161 1 930 . 1 1 94 94 PHE CD2 C 13 130.338 0.055 . 1 . . . . A 92 PHE CD2 . 34161 1 931 . 1 1 94 94 PHE CE2 C 13 131.234 0.132 . 1 . . . . A 92 PHE CE2 . 34161 1 932 . 1 1 94 94 PHE N N 15 119.21 0.019 . 1 . . . . A 92 PHE N . 34161 1 933 . 1 1 95 95 ASP H H 1 7.942 0.002 . 1 . . . . A 93 ASP H . 34161 1 934 . 1 1 95 95 ASP HA H 1 4.52 0.003 . 1 . . . . A 93 ASP HA . 34161 1 935 . 1 1 95 95 ASP HB2 H 1 2.47 0.008 . 2 . . . . A 93 ASP HB2 . 34161 1 936 . 1 1 95 95 ASP HB3 H 1 1.956 0.504 . 2 . . . . A 93 ASP HB3 . 34161 1 937 . 1 1 95 95 ASP CA C 13 53.35 0.029 . 1 . . . . A 93 ASP CA . 34161 1 938 . 1 1 95 95 ASP CB C 13 39.245 0.021 . 1 . . . . A 93 ASP CB . 34161 1 939 . 1 1 95 95 ASP N N 15 117.933 0.022 . 1 . . . . A 93 ASP N . 34161 1 940 . 1 1 96 96 LYS H H 1 7.428 0.004 . 1 . . . . A 94 LYS H . 34161 1 941 . 1 1 96 96 LYS HA H 1 3.953 0.008 . 1 . . . . A 94 LYS HA . 34161 1 942 . 1 1 96 96 LYS HB2 H 1 1.893 0.008 . 2 . . . . A 94 LYS HB2 . 34161 1 943 . 1 1 96 96 LYS HB3 H 1 1.894 0.007 . 2 . . . . A 94 LYS HB3 . 34161 1 944 . 1 1 96 96 LYS HG2 H 1 1.475 0.015 . 2 . . . . A 94 LYS HG2 . 34161 1 945 . 1 1 96 96 LYS HG3 H 1 1.475 0.015 . 2 . . . . A 94 LYS HG3 . 34161 1 946 . 1 1 96 96 LYS HD2 H 1 1.696 0.006 . 2 . . . . A 94 LYS HD2 . 34161 1 947 . 1 1 96 96 LYS HD3 H 1 1.699 0.004 . 2 . . . . A 94 LYS HD3 . 34161 1 948 . 1 1 96 96 LYS HE2 H 1 2.898 0.011 . 2 . . . . A 94 LYS HE2 . 34161 1 949 . 1 1 96 96 LYS HE3 H 1 2.865 0.018 . 2 . . . . A 94 LYS HE3 . 34161 1 950 . 1 1 96 96 LYS CA C 13 60.175 0.031 . 1 . . . . A 94 LYS CA . 34161 1 951 . 1 1 96 96 LYS CB C 13 34.103 0.016 . 1 . . . . A 94 LYS CB . 34161 1 952 . 1 1 96 96 LYS CG C 13 25.644 0.048 . 1 . . . . A 94 LYS CG . 34161 1 953 . 1 1 96 96 LYS CD C 13 29.885 0 . 1 . . . . A 94 LYS CD . 34161 1 954 . 1 1 96 96 LYS CE C 13 43.3 0 . 1 . . . . A 94 LYS CE . 34161 1 955 . 1 1 96 96 LYS N N 15 126.15 0.039 . 1 . . . . A 94 LYS N . 34161 1 956 . 1 1 97 97 ASP H H 1 8.213 0.004 . 1 . . . . A 95 ASP H . 34161 1 957 . 1 1 97 97 ASP HA H 1 4.601 0 . 1 . . . . A 95 ASP HA . 34161 1 958 . 1 1 97 97 ASP HB2 H 1 3.129 0.016 . 2 . . . . A 95 ASP HB2 . 34161 1 959 . 1 1 97 97 ASP HB3 H 1 2.892 0.224 . 2 . . . . A 95 ASP HB3 . 34161 1 960 . 1 1 97 97 ASP CA C 13 54.081 0 . 1 . . . . A 95 ASP CA . 34161 1 961 . 1 1 97 97 ASP CB C 13 40.724 0.046 . 1 . . . . A 95 ASP CB . 34161 1 962 . 1 1 97 97 ASP N N 15 114.038 0.032 . 1 . . . . A 95 ASP N . 34161 1 963 . 1 1 98 98 GLY H H 1 7.873 0.002 . 1 . . . . A 96 GLY H . 34161 1 964 . 1 1 98 98 GLY HA2 H 1 3.875 0.018 . 2 . . . . A 96 GLY HA2 . 34161 1 965 . 1 1 98 98 GLY HA3 H 1 3.867 0.013 . 2 . . . . A 96 GLY HA3 . 34161 1 966 . 1 1 98 98 GLY CA C 13 48.187 0.022 . 1 . . . . A 96 GLY CA . 34161 1 967 . 1 1 98 98 GLY N N 15 109.532 0.009 . 1 . . . . A 96 GLY N . 34161 1 968 . 1 1 99 99 ASN H H 1 8.351 0.003 . 1 . . . . A 97 ASN H . 34161 1 969 . 1 1 99 99 ASN HA H 1 4.686 0 . 1 . . . . A 97 ASN HA . 34161 1 970 . 1 1 99 99 ASN HB2 H 1 3.462 0.011 . 2 . . . . A 97 ASN HB2 . 34161 1 971 . 1 1 99 99 ASN HB3 H 1 2.715 0.008 . 2 . . . . A 97 ASN HB3 . 34161 1 972 . 1 1 99 99 ASN HD21 H 1 8.062 0.004 . 2 . . . . A 97 ASN HD21 . 34161 1 973 . 1 1 99 99 ASN HD22 H 1 7.41 0.001 . 2 . . . . A 97 ASN HD22 . 34161 1 974 . 1 1 99 99 ASN CA C 13 53.78 0 . 1 . . . . A 97 ASN CA . 34161 1 975 . 1 1 99 99 ASN CB C 13 39.255 0.054 . 1 . . . . A 97 ASN CB . 34161 1 976 . 1 1 99 99 ASN N N 15 119.619 0.039 . 1 . . . . A 97 ASN N . 34161 1 977 . 1 1 99 99 ASN ND2 N 15 116.649 0.117 . 1 . . . . A 97 ASN ND2 . 34161 1 978 . 1 1 100 100 GLY H H 1 10.704 0.002 . 1 . . . . A 98 GLY H . 34161 1 979 . 1 1 100 100 GLY HA2 H 1 3.897 0.299 . 2 . . . . A 98 GLY HA2 . 34161 1 980 . 1 1 100 100 GLY HA3 H 1 3.633 0.266 . 2 . . . . A 98 GLY HA3 . 34161 1 981 . 1 1 100 100 GLY CA C 13 46.034 0.037 . 1 . . . . A 98 GLY CA . 34161 1 982 . 1 1 100 100 GLY N N 15 113.015 0.039 . 1 . . . . A 98 GLY N . 34161 1 983 . 1 1 101 101 TYR H H 1 7.63 0.004 . 1 . . . . A 99 TYR H . 34161 1 984 . 1 1 101 101 TYR HA H 1 5.146 0.013 . 1 . . . . A 99 TYR HA . 34161 1 985 . 1 1 101 101 TYR HB2 H 1 2.539 0.01 . 2 . . . . A 99 TYR HB2 . 34161 1 986 . 1 1 101 101 TYR HB3 H 1 2.539 0.01 . 2 . . . . A 99 TYR HB3 . 34161 1 987 . 1 1 101 101 TYR HD1 H 1 6.84 0.005 . 1 . . . . A 99 TYR HD1 . 34161 1 988 . 1 1 101 101 TYR HD2 H 1 6.84 0.005 . 1 . . . . A 99 TYR HD2 . 34161 1 989 . 1 1 101 101 TYR HE1 H 1 7.025 0.002 . 1 . . . . A 99 TYR HE1 . 34161 1 990 . 1 1 101 101 TYR HE2 H 1 7.025 0.002 . 1 . . . . A 99 TYR HE2 . 34161 1 991 . 1 1 101 101 TYR CA C 13 57.053 0.109 . 1 . . . . A 99 TYR CA . 34161 1 992 . 1 1 101 101 TYR CB C 13 44.193 0.021 . 1 . . . . A 99 TYR CB . 34161 1 993 . 1 1 101 101 TYR CD1 C 13 133.544 0.054 . 1 . . . . A 99 TYR CD1 . 34161 1 994 . 1 1 101 101 TYR CE1 C 13 118.423 0.061 . 1 . . . . A 99 TYR CE1 . 34161 1 995 . 1 1 101 101 TYR N N 15 115.644 0.025 . 1 . . . . A 99 TYR N . 34161 1 996 . 1 1 102 102 ILE H H 1 10.223 0.003 . 1 . . . . A 100 ILE H . 34161 1 997 . 1 1 102 102 ILE HA H 1 4.877 0 . 1 . . . . A 100 ILE HA . 34161 1 998 . 1 1 102 102 ILE HB H 1 1.948 0.009 . 1 . . . . A 100 ILE HB . 34161 1 999 . 1 1 102 102 ILE HG12 H 1 1.309 0.005 . 1 . . . . A 100 ILE HG12 . 34161 1 1000 . 1 1 102 102 ILE HG13 H 1 1.55 0.092 . 1 . . . . A 100 ILE HG13 . 34161 1 1001 . 1 1 102 102 ILE HG21 H 1 0.978 0.008 . 1 . . . . A 100 ILE HG21 . 34161 1 1002 . 1 1 102 102 ILE HG22 H 1 0.978 0.008 . 1 . . . . A 100 ILE HG22 . 34161 1 1003 . 1 1 102 102 ILE HG23 H 1 0.978 0.008 . 1 . . . . A 100 ILE HG23 . 34161 1 1004 . 1 1 102 102 ILE HD11 H 1 0.526 0.008 . 1 . . . . A 100 ILE HD11 . 34161 1 1005 . 1 1 102 102 ILE HD12 H 1 0.526 0.008 . 1 . . . . A 100 ILE HD12 . 34161 1 1006 . 1 1 102 102 ILE HD13 H 1 0.526 0.008 . 1 . . . . A 100 ILE HD13 . 34161 1 1007 . 1 1 102 102 ILE CA C 13 61.872 0 . 1 . . . . A 100 ILE CA . 34161 1 1008 . 1 1 102 102 ILE CB C 13 39.855 0.027 . 1 . . . . A 100 ILE CB . 34161 1 1009 . 1 1 102 102 ILE CG1 C 13 28.424 0.089 . 1 . . . . A 100 ILE CG1 . 34161 1 1010 . 1 1 102 102 ILE CG2 C 13 18.993 0.022 . 1 . . . . A 100 ILE CG2 . 34161 1 1011 . 1 1 102 102 ILE CD1 C 13 16.445 0.059 . 1 . . . . A 100 ILE CD1 . 34161 1 1012 . 1 1 102 102 ILE N N 15 127.152 0.025 . 1 . . . . A 100 ILE N . 34161 1 1013 . 1 1 103 103 SER H H 1 8.993 0.004 . 1 . . . . A 101 SER H . 34161 1 1014 . 1 1 103 103 SER HA H 1 4.502 0 . 1 . . . . A 101 SER HA . 34161 1 1015 . 1 1 103 103 SER HB2 H 1 4.058 0.006 . 2 . . . . A 101 SER HB2 . 34161 1 1016 . 1 1 103 103 SER HB3 H 1 4.058 0.006 . 2 . . . . A 101 SER HB3 . 34161 1 1017 . 1 1 103 103 SER CB C 13 67.844 0.073 . 1 . . . . A 101 SER CB . 34161 1 1018 . 1 1 103 103 SER N N 15 124.178 0.023 . 1 . . . . A 101 SER N . 34161 1 1019 . 1 1 104 104 ALA H H 1 9.279 0.007 . 1 . . . . A 102 ALA H . 34161 1 1020 . 1 1 104 104 ALA HA H 1 3.929 0.007 . 1 . . . . A 102 ALA HA . 34161 1 1021 . 1 1 104 104 ALA HB1 H 1 1.502 0.009 . 1 . . . . A 102 ALA HB1 . 34161 1 1022 . 1 1 104 104 ALA HB2 H 1 1.502 0.009 . 1 . . . . A 102 ALA HB2 . 34161 1 1023 . 1 1 104 104 ALA HB3 H 1 1.502 0.009 . 1 . . . . A 102 ALA HB3 . 34161 1 1024 . 1 1 104 104 ALA CA C 13 57.09 0.064 . 1 . . . . A 102 ALA CA . 34161 1 1025 . 1 1 104 104 ALA CB C 13 19.01 0.011 . 1 . . . . A 102 ALA CB . 34161 1 1026 . 1 1 104 104 ALA N N 15 122.908 0.018 . 1 . . . . A 102 ALA N . 34161 1 1027 . 1 1 105 105 ALA H H 1 8.295 0.002 . 1 . . . . A 103 ALA H . 34161 1 1028 . 1 1 105 105 ALA HA H 1 4.03 0.009 . 1 . . . . A 103 ALA HA . 34161 1 1029 . 1 1 105 105 ALA HB1 H 1 1.445 0.009 . 1 . . . . A 103 ALA HB1 . 34161 1 1030 . 1 1 105 105 ALA HB2 H 1 1.445 0.009 . 1 . . . . A 103 ALA HB2 . 34161 1 1031 . 1 1 105 105 ALA HB3 H 1 1.445 0.009 . 1 . . . . A 103 ALA HB3 . 34161 1 1032 . 1 1 105 105 ALA CA C 13 56.484 0 . 1 . . . . A 103 ALA CA . 34161 1 1033 . 1 1 105 105 ALA CB C 13 19.447 0.03 . 1 . . . . A 103 ALA CB . 34161 1 1034 . 1 1 105 105 ALA N N 15 118.708 0.046 . 1 . . . . A 103 ALA N . 34161 1 1035 . 1 1 106 106 GLU H H 1 7.827 0.003 . 1 . . . . A 104 GLU H . 34161 1 1036 . 1 1 106 106 GLU HA H 1 4.068 0.009 . 1 . . . . A 104 GLU HA . 34161 1 1037 . 1 1 106 106 GLU HB2 H 1 2.361 0.011 . 2 . . . . A 104 GLU HB2 . 34161 1 1038 . 1 1 106 106 GLU HB3 H 1 2.36 0.012 . 2 . . . . A 104 GLU HB3 . 34161 1 1039 . 1 1 106 106 GLU HG2 H 1 2.552 0.004 . 2 . . . . A 104 GLU HG2 . 34161 1 1040 . 1 1 106 106 GLU HG3 H 1 2.551 0.005 . 2 . . . . A 104 GLU HG3 . 34161 1 1041 . 1 1 106 106 GLU CA C 13 60.186 0.052 . 1 . . . . A 104 GLU CA . 34161 1 1042 . 1 1 106 106 GLU CB C 13 30.258 0.049 . 1 . . . . A 104 GLU CB . 34161 1 1043 . 1 1 106 106 GLU CG C 13 37.586 0 . 1 . . . . A 104 GLU CG . 34161 1 1044 . 1 1 106 106 GLU N N 15 119.312 0.026 . 1 . . . . A 104 GLU N . 34161 1 1045 . 1 1 107 107 LEU H H 1 8.701 0.009 . 1 . . . . A 105 LEU H . 34161 1 1046 . 1 1 107 107 LEU HA H 1 3.926 0.008 . 1 . . . . A 105 LEU HA . 34161 1 1047 . 1 1 107 107 LEU HB2 H 1 1.691 0.007 . 1 . . . . A 105 LEU HB2 . 34161 1 1048 . 1 1 107 107 LEU HB3 H 1 1.493 0.006 . 1 . . . . A 105 LEU HB3 . 34161 1 1049 . 1 1 107 107 LEU HG H 1 1.425 0.021 . 1 . . . . A 105 LEU HG . 34161 1 1050 . 1 1 107 107 LEU HD11 H 1 0.576 0.007 . 2 . . . . A 105 LEU HD11 . 34161 1 1051 . 1 1 107 107 LEU HD12 H 1 0.576 0.007 . 2 . . . . A 105 LEU HD12 . 34161 1 1052 . 1 1 107 107 LEU HD13 H 1 0.576 0.007 . 2 . . . . A 105 LEU HD13 . 34161 1 1053 . 1 1 107 107 LEU HD21 H 1 0.662 0.008 . 2 . . . . A 105 LEU HD21 . 34161 1 1054 . 1 1 107 107 LEU HD22 H 1 0.662 0.008 . 2 . . . . A 105 LEU HD22 . 34161 1 1055 . 1 1 107 107 LEU HD23 H 1 0.662 0.008 . 2 . . . . A 105 LEU HD23 . 34161 1 1056 . 1 1 107 107 LEU CA C 13 58.52 0.015 . 1 . . . . A 105 LEU CA . 34161 1 1057 . 1 1 107 107 LEU CB C 13 42.94 0.022 . 1 . . . . A 105 LEU CB . 34161 1 1058 . 1 1 107 107 LEU CG C 13 27.428 0.006 . 1 . . . . A 105 LEU CG . 34161 1 1059 . 1 1 107 107 LEU CD1 C 13 24.177 0.027 . 1 . . . . A 105 LEU CD1 . 34161 1 1060 . 1 1 107 107 LEU CD2 C 13 26.574 0.024 . 1 . . . . A 105 LEU CD2 . 34161 1 1061 . 1 1 107 107 LEU N N 15 122.046 0.029 . 1 . . . . A 105 LEU N . 34161 1 1062 . 1 1 108 108 ARG H H 1 8.739 0.011 . 1 . . . . A 106 ARG H . 34161 1 1063 . 1 1 108 108 ARG HA H 1 3.756 0.011 . 1 . . . . A 106 ARG HA . 34161 1 1064 . 1 1 108 108 ARG HB2 H 1 1.97 0.004 . 2 . . . . A 106 ARG HB2 . 34161 1 1065 . 1 1 108 108 ARG HB3 H 1 1.963 0.005 . 2 . . . . A 106 ARG HB3 . 34161 1 1066 . 1 1 108 108 ARG HG2 H 1 1.687 0.002 . 2 . . . . A 106 ARG HG2 . 34161 1 1067 . 1 1 108 108 ARG HG3 H 1 1.679 0.015 . 2 . . . . A 106 ARG HG3 . 34161 1 1068 . 1 1 108 108 ARG HD2 H 1 3.265 0.003 . 2 . . . . A 106 ARG HD2 . 34161 1 1069 . 1 1 108 108 ARG HD3 H 1 3.167 0.002 . 2 . . . . A 106 ARG HD3 . 34161 1 1070 . 1 1 108 108 ARG CA C 13 61.184 0.057 . 1 . . . . A 106 ARG CA . 34161 1 1071 . 1 1 108 108 ARG CB C 13 31.315 0.026 . 1 . . . . A 106 ARG CB . 34161 1 1072 . 1 1 108 108 ARG CG C 13 28.684 0.036 . 1 . . . . A 106 ARG CG . 34161 1 1073 . 1 1 108 108 ARG CD C 13 44.989 0 . 1 . . . . A 106 ARG CD . 34161 1 1074 . 1 1 108 108 ARG N N 15 119.192 0.018 . 1 . . . . A 106 ARG N . 34161 1 1075 . 1 1 109 109 HIS H H 1 7.677 0.007 . 1 . . . . A 107 HIS H . 34161 1 1076 . 1 1 109 109 HIS HA H 1 4.295 0.014 . 1 . . . . A 107 HIS HA . 34161 1 1077 . 1 1 109 109 HIS HB2 H 1 3.232 0.008 . 2 . . . . A 107 HIS HB2 . 34161 1 1078 . 1 1 109 109 HIS HB3 H 1 3.341 0.007 . 2 . . . . A 107 HIS HB3 . 34161 1 1079 . 1 1 109 109 HIS HD2 H 1 7.007 0.003 . 1 . . . . A 107 HIS HD2 . 34161 1 1080 . 1 1 109 109 HIS HE1 H 1 7.837 0.001 . 1 . . . . A 107 HIS HE1 . 34161 1 1081 . 1 1 109 109 HIS CA C 13 60.913 0.04 . 1 . . . . A 107 HIS CA . 34161 1 1082 . 1 1 109 109 HIS CB C 13 31.656 0.077 . 1 . . . . A 107 HIS CB . 34161 1 1083 . 1 1 109 109 HIS CD2 C 13 120.438 0.007 . 1 . . . . A 107 HIS CD2 . 34161 1 1084 . 1 1 109 109 HIS CE1 C 13 139.361 0.03 . 1 . . . . A 107 HIS CE1 . 34161 1 1085 . 1 1 109 109 HIS N N 15 119.368 0.011 . 1 . . . . A 107 HIS N . 34161 1 1086 . 1 1 110 110 VAL H H 1 7.792 0.001 . 1 . . . . A 108 VAL H . 34161 1 1087 . 1 1 110 110 VAL HA H 1 3.464 0.009 . 1 . . . . A 108 VAL HA . 34161 1 1088 . 1 1 110 110 VAL HB H 1 1.938 0.015 . 1 . . . . A 108 VAL HB . 34161 1 1089 . 1 1 110 110 VAL HG11 H 1 0.283 0.01 . 1 . . . . A 108 VAL HG11 . 34161 1 1090 . 1 1 110 110 VAL HG12 H 1 0.283 0.01 . 1 . . . . A 108 VAL HG12 . 34161 1 1091 . 1 1 110 110 VAL HG13 H 1 0.283 0.01 . 1 . . . . A 108 VAL HG13 . 34161 1 1092 . 1 1 110 110 VAL HG21 H 1 0.814 0.013 . 1 . . . . A 108 VAL HG21 . 34161 1 1093 . 1 1 110 110 VAL HG22 H 1 0.814 0.013 . 1 . . . . A 108 VAL HG22 . 34161 1 1094 . 1 1 110 110 VAL HG23 H 1 0.814 0.013 . 1 . . . . A 108 VAL HG23 . 34161 1 1095 . 1 1 110 110 VAL CA C 13 67.247 0.045 . 1 . . . . A 108 VAL CA . 34161 1 1096 . 1 1 110 110 VAL CB C 13 32.824 0.042 . 1 . . . . A 108 VAL CB . 34161 1 1097 . 1 1 110 110 VAL CG1 C 13 21.826 0.021 . 1 . . . . A 108 VAL CG1 . 34161 1 1098 . 1 1 110 110 VAL CG2 C 13 24.114 0.069 . 1 . . . . A 108 VAL CG2 . 34161 1 1099 . 1 1 110 110 VAL N N 15 119.33 0.023 . 1 . . . . A 108 VAL N . 34161 1 1100 . 1 1 111 111 MET H H 1 8.08 0.003 . 1 . . . . A 109 MET H . 34161 1 1101 . 1 1 111 111 MET HA H 1 4.253 0.009 . 1 . . . . A 109 MET HA . 34161 1 1102 . 1 1 111 111 MET HB2 H 1 2.022 0 . 2 . . . . A 109 MET HB2 . 34161 1 1103 . 1 1 111 111 MET HB3 H 1 2.022 0 . 2 . . . . A 109 MET HB3 . 34161 1 1104 . 1 1 111 111 MET HG2 H 1 2.581 0.002 . 2 . . . . A 109 MET HG2 . 34161 1 1105 . 1 1 111 111 MET HG3 H 1 2.581 0.002 . 2 . . . . A 109 MET HG3 . 34161 1 1106 . 1 1 111 111 MET CA C 13 57.837 0.025 . 1 . . . . A 109 MET CA . 34161 1 1107 . 1 1 111 111 MET CG C 13 32.948 0 . 1 . . . . A 109 MET CG . 34161 1 1108 . 1 1 111 111 MET N N 15 115.469 0.03 . 1 . . . . A 109 MET N . 34161 1 1109 . 1 1 112 112 THR H H 1 8.237 0.003 . 1 . . . . A 110 THR H . 34161 1 1110 . 1 1 112 112 THR HA H 1 4.055 0.008 . 1 . . . . A 110 THR HA . 34161 1 1111 . 1 1 112 112 THR HB H 1 4.265 0.005 . 1 . . . . A 110 THR HB . 34161 1 1112 . 1 1 112 112 THR HG21 H 1 1.249 0.007 . 1 . . . . A 110 THR HG21 . 34161 1 1113 . 1 1 112 112 THR HG22 H 1 1.249 0.007 . 1 . . . . A 110 THR HG22 . 34161 1 1114 . 1 1 112 112 THR HG23 H 1 1.249 0.007 . 1 . . . . A 110 THR HG23 . 34161 1 1115 . 1 1 112 112 THR CA C 13 67.529 0.072 . 1 . . . . A 110 THR CA . 34161 1 1116 . 1 1 112 112 THR CG2 C 13 22.689 0.01 . 1 . . . . A 110 THR CG2 . 34161 1 1117 . 1 1 112 112 THR N N 15 116.515 0.049 . 1 . . . . A 110 THR N . 34161 1 1118 . 1 1 113 113 ASN H H 1 7.945 0.007 . 1 . . . . A 111 ASN H . 34161 1 1119 . 1 1 113 113 ASN HA H 1 4.492 0 . 1 . . . . A 111 ASN HA . 34161 1 1120 . 1 1 113 113 ASN HB2 H 1 2.814 0.006 . 2 . . . . A 111 ASN HB2 . 34161 1 1121 . 1 1 113 113 ASN HB3 H 1 2.814 0.005 . 2 . . . . A 111 ASN HB3 . 34161 1 1122 . 1 1 113 113 ASN HD21 H 1 7.933 0.003 . 2 . . . . A 111 ASN HD21 . 34161 1 1123 . 1 1 113 113 ASN HD22 H 1 6.907 0.003 . 2 . . . . A 111 ASN HD22 . 34161 1 1124 . 1 1 113 113 ASN CA C 13 56.781 0.026 . 1 . . . . A 111 ASN CA . 34161 1 1125 . 1 1 113 113 ASN CB C 13 39.208 0.02 . 1 . . . . A 111 ASN CB . 34161 1 1126 . 1 1 113 113 ASN N N 15 122.526 0.021 . 1 . . . . A 111 ASN N . 34161 1 1127 . 1 1 113 113 ASN ND2 N 15 115.188 0.017 . 1 . . . . A 111 ASN ND2 . 34161 1 1128 . 1 1 114 114 LEU H H 1 7.601 0.003 . 1 . . . . A 112 LEU H . 34161 1 1129 . 1 1 114 114 LEU HA H 1 4.387 0.001 . 1 . . . . A 112 LEU HA . 34161 1 1130 . 1 1 114 114 LEU HB2 H 1 1.734 0.004 . 2 . . . . A 112 LEU HB2 . 34161 1 1131 . 1 1 114 114 LEU HB3 H 1 1.685 0.018 . 2 . . . . A 112 LEU HB3 . 34161 1 1132 . 1 1 114 114 LEU HG H 1 1.379 0.005 . 1 . . . . A 112 LEU HG . 34161 1 1133 . 1 1 114 114 LEU HD11 H 1 0.84 0.004 . 2 . . . . A 112 LEU HD11 . 34161 1 1134 . 1 1 114 114 LEU HD12 H 1 0.84 0.004 . 2 . . . . A 112 LEU HD12 . 34161 1 1135 . 1 1 114 114 LEU HD13 H 1 0.84 0.004 . 2 . . . . A 112 LEU HD13 . 34161 1 1136 . 1 1 114 114 LEU HD21 H 1 0.754 0.007 . 2 . . . . A 112 LEU HD21 . 34161 1 1137 . 1 1 114 114 LEU HD22 H 1 0.754 0.007 . 2 . . . . A 112 LEU HD22 . 34161 1 1138 . 1 1 114 114 LEU HD23 H 1 0.754 0.007 . 2 . . . . A 112 LEU HD23 . 34161 1 1139 . 1 1 114 114 LEU CA C 13 56.198 0 . 1 . . . . A 112 LEU CA . 34161 1 1140 . 1 1 114 114 LEU CB C 13 43.186 0.034 . 1 . . . . A 112 LEU CB . 34161 1 1141 . 1 1 114 114 LEU CG C 13 27.499 0.007 . 1 . . . . A 112 LEU CG . 34161 1 1142 . 1 1 114 114 LEU CD1 C 13 25.187 0 . 1 . . . . A 112 LEU CD1 . 34161 1 1143 . 1 1 114 114 LEU CD2 C 13 25.018 0.014 . 1 . . . . A 112 LEU CD2 . 34161 1 1144 . 1 1 114 114 LEU N N 15 118.418 0.023 . 1 . . . . A 112 LEU N . 34161 1 1145 . 1 1 115 115 GLY H H 1 7.864 0.003 . 1 . . . . A 113 GLY H . 34161 1 1146 . 1 1 115 115 GLY HA2 H 1 4.264 0.012 . 2 . . . . A 113 GLY HA2 . 34161 1 1147 . 1 1 115 115 GLY HA3 H 1 3.753 0.009 . 2 . . . . A 113 GLY HA3 . 34161 1 1148 . 1 1 115 115 GLY CA C 13 46.413 0.054 . 1 . . . . A 113 GLY CA . 34161 1 1149 . 1 1 115 115 GLY N N 15 107.02 0.012 . 1 . . . . A 113 GLY N . 34161 1 1150 . 1 1 116 116 GLU H H 1 7.735 0.002 . 1 . . . . A 114 GLU H . 34161 1 1151 . 1 1 116 116 GLU HA H 1 4.447 0 . 1 . . . . A 114 GLU HA . 34161 1 1152 . 1 1 116 116 GLU HB2 H 1 1.92 0.01 . 2 . . . . A 114 GLU HB2 . 34161 1 1153 . 1 1 116 116 GLU HB3 H 1 1.621 0.008 . 2 . . . . A 114 GLU HB3 . 34161 1 1154 . 1 1 116 116 GLU CA C 13 55.628 0 . 1 . . . . A 114 GLU CA . 34161 1 1155 . 1 1 116 116 GLU CB C 13 31.681 0.067 . 1 . . . . A 114 GLU CB . 34161 1 1156 . 1 1 116 116 GLU N N 15 119.934 0.033 . 1 . . . . A 114 GLU N . 34161 1 1157 . 1 1 117 117 LYS H H 1 8.605 0.002 . 1 . . . . A 115 LYS H . 34161 1 1158 . 1 1 117 117 LYS HA H 1 4.373 0.01 . 1 . . . . A 115 LYS HA . 34161 1 1159 . 1 1 117 117 LYS HB2 H 1 1.675 0.011 . 2 . . . . A 115 LYS HB2 . 34161 1 1160 . 1 1 117 117 LYS HB3 H 1 1.777 0.006 . 2 . . . . A 115 LYS HB3 . 34161 1 1161 . 1 1 117 117 LYS HG2 H 1 1.318 0.013 . 2 . . . . A 115 LYS HG2 . 34161 1 1162 . 1 1 117 117 LYS HG3 H 1 1.389 0.003 . 2 . . . . A 115 LYS HG3 . 34161 1 1163 . 1 1 117 117 LYS HD2 H 1 1.666 0.005 . 2 . . . . A 115 LYS HD2 . 34161 1 1164 . 1 1 117 117 LYS HD3 H 1 1.726 0 . 2 . . . . A 115 LYS HD3 . 34161 1 1165 . 1 1 117 117 LYS HE2 H 1 2.988 0.009 . 2 . . . . A 115 LYS HE2 . 34161 1 1166 . 1 1 117 117 LYS HE3 H 1 3.04 0.001 . 2 . . . . A 115 LYS HE3 . 34161 1 1167 . 1 1 117 117 LYS CA C 13 56.471 0 . 1 . . . . A 115 LYS CA . 34161 1 1168 . 1 1 117 117 LYS CB C 13 32.878 0.026 . 1 . . . . A 115 LYS CB . 34161 1 1169 . 1 1 117 117 LYS CG C 13 25.587 0.016 . 1 . . . . A 115 LYS CG . 34161 1 1170 . 1 1 117 117 LYS CD C 13 30.491 0 . 1 . . . . A 115 LYS CD . 34161 1 1171 . 1 1 117 117 LYS CE C 13 43.21 0.058 . 1 . . . . A 115 LYS CE . 34161 1 1172 . 1 1 117 117 LYS N N 15 124.392 0.028 . 1 . . . . A 115 LYS N . 34161 1 1173 . 1 1 118 118 LEU H H 1 8.091 0.002 . 1 . . . . A 116 LEU H . 34161 1 1174 . 1 1 118 118 LEU HA H 1 4.749 0 . 1 . . . . A 116 LEU HA . 34161 1 1175 . 1 1 118 118 LEU HB2 H 1 1.664 0.011 . 2 . . . . A 116 LEU HB2 . 34161 1 1176 . 1 1 118 118 LEU HB3 H 1 1.367 0.008 . 2 . . . . A 116 LEU HB3 . 34161 1 1177 . 1 1 118 118 LEU HG H 1 1.666 0 . 1 . . . . A 116 LEU HG . 34161 1 1178 . 1 1 118 118 LEU HD11 H 1 0.731 0.009 . 2 . . . . A 116 LEU HD11 . 34161 1 1179 . 1 1 118 118 LEU HD12 H 1 0.731 0.009 . 2 . . . . A 116 LEU HD12 . 34161 1 1180 . 1 1 118 118 LEU HD13 H 1 0.731 0.009 . 2 . . . . A 116 LEU HD13 . 34161 1 1181 . 1 1 118 118 LEU HD21 H 1 0.723 0.002 . 2 . . . . A 116 LEU HD21 . 34161 1 1182 . 1 1 118 118 LEU HD22 H 1 0.723 0.002 . 2 . . . . A 116 LEU HD22 . 34161 1 1183 . 1 1 118 118 LEU HD23 H 1 0.723 0.002 . 2 . . . . A 116 LEU HD23 . 34161 1 1184 . 1 1 118 118 LEU CB C 13 45.207 0.034 . 1 . . . . A 116 LEU CB . 34161 1 1185 . 1 1 118 118 LEU CG C 13 29.658 0 . 1 . . . . A 116 LEU CG . 34161 1 1186 . 1 1 118 118 LEU CD1 C 13 25.936 0.046 . 1 . . . . A 116 LEU CD1 . 34161 1 1187 . 1 1 118 118 LEU CD2 C 13 27.752 0.032 . 1 . . . . A 116 LEU CD2 . 34161 1 1188 . 1 1 118 118 LEU N N 15 125.825 0.027 . 1 . . . . A 116 LEU N . 34161 1 1189 . 1 1 119 119 THR H H 1 9.241 0.003 . 1 . . . . A 117 THR H . 34161 1 1190 . 1 1 119 119 THR HA H 1 4.445 0.004 . 1 . . . . A 117 THR HA . 34161 1 1191 . 1 1 119 119 THR HB H 1 4.771 0 . 1 . . . . A 117 THR HB . 34161 1 1192 . 1 1 119 119 THR HG21 H 1 1.363 0.007 . 1 . . . . A 117 THR HG21 . 34161 1 1193 . 1 1 119 119 THR HG22 H 1 1.363 0.007 . 1 . . . . A 117 THR HG22 . 34161 1 1194 . 1 1 119 119 THR HG23 H 1 1.363 0.007 . 1 . . . . A 117 THR HG23 . 34161 1 1195 . 1 1 119 119 THR CA C 13 61.79 0.019 . 1 . . . . A 117 THR CA . 34161 1 1196 . 1 1 119 119 THR CB C 13 72.165 0 . 1 . . . . A 117 THR CB . 34161 1 1197 . 1 1 119 119 THR CG2 C 13 22.934 0.015 . 1 . . . . A 117 THR CG2 . 34161 1 1198 . 1 1 119 119 THR N N 15 114.373 0.027 . 1 . . . . A 117 THR N . 34161 1 1199 . 1 1 120 120 ASP H H 1 8.887 0.002 . 1 . . . . A 118 ASP H . 34161 1 1200 . 1 1 120 120 ASP HA H 1 4.224 0.002 . 1 . . . . A 118 ASP HA . 34161 1 1201 . 1 1 120 120 ASP HB2 H 1 2.694 0.004 . 2 . . . . A 118 ASP HB2 . 34161 1 1202 . 1 1 120 120 ASP HB3 H 1 2.698 0 . 2 . . . . A 118 ASP HB3 . 34161 1 1203 . 1 1 120 120 ASP CA C 13 59.027 0.029 . 1 . . . . A 118 ASP CA . 34161 1 1204 . 1 1 120 120 ASP CB C 13 40.468 0 . 1 . . . . A 118 ASP CB . 34161 1 1205 . 1 1 120 120 ASP N N 15 121.057 0.015 . 1 . . . . A 118 ASP N . 34161 1 1206 . 1 1 121 121 GLU H H 1 8.668 0.004 . 1 . . . . A 119 GLU H . 34161 1 1207 . 1 1 121 121 GLU HA H 1 4.145 0.005 . 1 . . . . A 119 GLU HA . 34161 1 1208 . 1 1 121 121 GLU HB2 H 1 2.046 0.003 . 2 . . . . A 119 GLU HB2 . 34161 1 1209 . 1 1 121 121 GLU HB3 H 1 2.046 0.003 . 2 . . . . A 119 GLU HB3 . 34161 1 1210 . 1 1 121 121 GLU HG2 H 1 2.366 0.002 . 2 . . . . A 119 GLU HG2 . 34161 1 1211 . 1 1 121 121 GLU HG3 H 1 2.366 0.002 . 2 . . . . A 119 GLU HG3 . 34161 1 1212 . 1 1 121 121 GLU CA C 13 61.078 0.02 . 1 . . . . A 119 GLU CA . 34161 1 1213 . 1 1 121 121 GLU CG C 13 37.608 0 . 1 . . . . A 119 GLU CG . 34161 1 1214 . 1 1 121 121 GLU N N 15 119.544 0.004 . 1 . . . . A 119 GLU N . 34161 1 1215 . 1 1 122 122 GLU H H 1 7.754 0.002 . 1 . . . . A 120 GLU H . 34161 1 1216 . 1 1 122 122 GLU HA H 1 4.104 0.002 . 1 . . . . A 120 GLU HA . 34161 1 1217 . 1 1 122 122 GLU HB2 H 1 2.453 0.012 . 2 . . . . A 120 GLU HB2 . 34161 1 1218 . 1 1 122 122 GLU HB3 H 1 1.861 0.004 . 2 . . . . A 120 GLU HB3 . 34161 1 1219 . 1 1 122 122 GLU HG2 H 1 2.303 0.009 . 2 . . . . A 120 GLU HG2 . 34161 1 1220 . 1 1 122 122 GLU HG3 H 1 2.506 0.011 . 2 . . . . A 120 GLU HG3 . 34161 1 1221 . 1 1 122 122 GLU CA C 13 60.356 0 . 1 . . . . A 120 GLU CA . 34161 1 1222 . 1 1 122 122 GLU CB C 13 31.854 0.074 . 1 . . . . A 120 GLU CB . 34161 1 1223 . 1 1 122 122 GLU CG C 13 39.326 0.023 . 1 . . . . A 120 GLU CG . 34161 1 1224 . 1 1 122 122 GLU N N 15 120.532 0.015 . 1 . . . . A 120 GLU N . 34161 1 1225 . 1 1 123 123 VAL H H 1 8.052 0.011 . 1 . . . . A 121 VAL H . 34161 1 1226 . 1 1 123 123 VAL HA H 1 3.459 0.009 . 1 . . . . A 121 VAL HA . 34161 1 1227 . 1 1 123 123 VAL HB H 1 2.185 0.01 . 1 . . . . A 121 VAL HB . 34161 1 1228 . 1 1 123 123 VAL HG11 H 1 0.884 0.006 . 2 . . . . A 121 VAL HG11 . 34161 1 1229 . 1 1 123 123 VAL HG12 H 1 0.884 0.006 . 2 . . . . A 121 VAL HG12 . 34161 1 1230 . 1 1 123 123 VAL HG13 H 1 0.884 0.006 . 2 . . . . A 121 VAL HG13 . 34161 1 1231 . 1 1 123 123 VAL HG21 H 1 0.98 0.007 . 2 . . . . A 121 VAL HG21 . 34161 1 1232 . 1 1 123 123 VAL HG22 H 1 0.98 0.007 . 2 . . . . A 121 VAL HG22 . 34161 1 1233 . 1 1 123 123 VAL HG23 H 1 0.98 0.007 . 2 . . . . A 121 VAL HG23 . 34161 1 1234 . 1 1 123 123 VAL CA C 13 67.849 0.046 . 1 . . . . A 121 VAL CA . 34161 1 1235 . 1 1 123 123 VAL CB C 13 32.17 0.068 . 1 . . . . A 121 VAL CB . 34161 1 1236 . 1 1 123 123 VAL CG1 C 13 24.641 0.04 . 1 . . . . A 121 VAL CG1 . 34161 1 1237 . 1 1 123 123 VAL CG2 C 13 23.4 0.012 . 1 . . . . A 121 VAL CG2 . 34161 1 1238 . 1 1 123 123 VAL N N 15 120.998 0.019 . 1 . . . . A 121 VAL N . 34161 1 1239 . 1 1 124 124 ASP H H 1 7.985 0.004 . 1 . . . . A 122 ASP H . 34161 1 1240 . 1 1 124 124 ASP HA H 1 4.405 0.005 . 1 . . . . A 122 ASP HA . 34161 1 1241 . 1 1 124 124 ASP HB2 H 1 2.726 0.047 . 2 . . . . A 122 ASP HB2 . 34161 1 1242 . 1 1 124 124 ASP HB3 H 1 2.827 0.009 . 2 . . . . A 122 ASP HB3 . 34161 1 1243 . 1 1 124 124 ASP CA C 13 58.874 0.048 . 1 . . . . A 122 ASP CA . 34161 1 1244 . 1 1 124 124 ASP CB C 13 41.508 0.024 . 1 . . . . A 122 ASP CB . 34161 1 1245 . 1 1 124 124 ASP N N 15 120.423 0.01 . 1 . . . . A 122 ASP N . 34161 1 1246 . 1 1 125 125 GLU H H 1 8.096 0.004 . 1 . . . . A 123 GLU H . 34161 1 1247 . 1 1 125 125 GLU HA H 1 4.065 0.005 . 1 . . . . A 123 GLU HA . 34161 1 1248 . 1 1 125 125 GLU HB2 H 1 2.192 0.008 . 2 . . . . A 123 GLU HB2 . 34161 1 1249 . 1 1 125 125 GLU HB3 H 1 2.192 0.008 . 2 . . . . A 123 GLU HB3 . 34161 1 1250 . 1 1 125 125 GLU HG2 H 1 2.389 0.009 . 2 . . . . A 123 GLU HG2 . 34161 1 1251 . 1 1 125 125 GLU HG3 H 1 2.389 0.009 . 2 . . . . A 123 GLU HG3 . 34161 1 1252 . 1 1 125 125 GLU CA C 13 60.471 0.062 . 1 . . . . A 123 GLU CA . 34161 1 1253 . 1 1 125 125 GLU CB C 13 30.648 0 . 1 . . . . A 123 GLU CB . 34161 1 1254 . 1 1 125 125 GLU CG C 13 37.288 0.009 . 1 . . . . A 123 GLU CG . 34161 1 1255 . 1 1 125 125 GLU N N 15 120.036 0.021 . 1 . . . . A 123 GLU N . 34161 1 1256 . 1 1 126 126 MET H H 1 7.872 0.002 . 1 . . . . A 124 MET H . 34161 1 1257 . 1 1 126 126 MET HA H 1 4.048 0.01 . 1 . . . . A 124 MET HA . 34161 1 1258 . 1 1 126 126 MET HB2 H 1 2.245 0.003 . 2 . . . . A 124 MET HB2 . 34161 1 1259 . 1 1 126 126 MET HB3 H 1 1.909 0.003 . 2 . . . . A 124 MET HB3 . 34161 1 1260 . 1 1 126 126 MET HG2 H 1 2.217 0 . 2 . . . . A 124 MET HG2 . 34161 1 1261 . 1 1 126 126 MET HG3 H 1 1.884 0 . 2 . . . . A 124 MET HG3 . 34161 1 1262 . 1 1 126 126 MET CA C 13 61.546 0.026 . 1 . . . . A 124 MET CA . 34161 1 1263 . 1 1 126 126 MET CB C 13 33.91 0.054 . 1 . . . . A 124 MET CB . 34161 1 1264 . 1 1 126 126 MET N N 15 119.542 0.029 . 1 . . . . A 124 MET N . 34161 1 1265 . 1 1 127 127 ILE H H 1 8.104 0.002 . 1 . . . . A 125 ILE H . 34161 1 1266 . 1 1 127 127 ILE HA H 1 3.686 0.011 . 1 . . . . A 125 ILE HA . 34161 1 1267 . 1 1 127 127 ILE HB H 1 2.269 0.023 . 1 . . . . A 125 ILE HB . 34161 1 1268 . 1 1 127 127 ILE HG12 H 1 1.298 0.007 . 1 . . . . A 125 ILE HG12 . 34161 1 1269 . 1 1 127 127 ILE HG13 H 1 1.686 0.008 . 1 . . . . A 125 ILE HG13 . 34161 1 1270 . 1 1 127 127 ILE HG21 H 1 0.781 0.006 . 1 . . . . A 125 ILE HG21 . 34161 1 1271 . 1 1 127 127 ILE HG22 H 1 0.781 0.006 . 1 . . . . A 125 ILE HG22 . 34161 1 1272 . 1 1 127 127 ILE HG23 H 1 0.781 0.006 . 1 . . . . A 125 ILE HG23 . 34161 1 1273 . 1 1 127 127 ILE HD11 H 1 0.824 0.007 . 1 . . . . A 125 ILE HD11 . 34161 1 1274 . 1 1 127 127 ILE HD12 H 1 0.824 0.007 . 1 . . . . A 125 ILE HD12 . 34161 1 1275 . 1 1 127 127 ILE HD13 H 1 0.824 0.007 . 1 . . . . A 125 ILE HD13 . 34161 1 1276 . 1 1 127 127 ILE CA C 13 65.733 0.041 . 1 . . . . A 125 ILE CA . 34161 1 1277 . 1 1 127 127 ILE CB C 13 37.297 0.072 . 1 . . . . A 125 ILE CB . 34161 1 1278 . 1 1 127 127 ILE CG1 C 13 29.563 0.023 . 1 . . . . A 125 ILE CG1 . 34161 1 1279 . 1 1 127 127 ILE CG2 C 13 17.313 0.016 . 1 . . . . A 125 ILE CG2 . 34161 1 1280 . 1 1 127 127 ILE CD1 C 13 12.242 0.055 . 1 . . . . A 125 ILE CD1 . 34161 1 1281 . 1 1 127 127 ILE N N 15 120.197 0.033 . 1 . . . . A 125 ILE N . 34161 1 1282 . 1 1 128 128 ARG H H 1 8.417 0.002 . 1 . . . . A 126 ARG H . 34161 1 1283 . 1 1 128 128 ARG HA H 1 4.121 0 . 1 . . . . A 126 ARG HA . 34161 1 1284 . 1 1 128 128 ARG HB2 H 1 1.968 0.011 . 2 . . . . A 126 ARG HB2 . 34161 1 1285 . 1 1 128 128 ARG HB3 H 1 1.968 0.011 . 2 . . . . A 126 ARG HB3 . 34161 1 1286 . 1 1 128 128 ARG HG2 H 1 1.679 0.006 . 2 . . . . A 126 ARG HG2 . 34161 1 1287 . 1 1 128 128 ARG HG3 H 1 1.679 0.006 . 2 . . . . A 126 ARG HG3 . 34161 1 1288 . 1 1 128 128 ARG HD2 H 1 3.262 0.006 . 2 . . . . A 126 ARG HD2 . 34161 1 1289 . 1 1 128 128 ARG HD3 H 1 3.197 0.001 . 2 . . . . A 126 ARG HD3 . 34161 1 1290 . 1 1 128 128 ARG CA C 13 60.914 0 . 1 . . . . A 126 ARG CA . 34161 1 1291 . 1 1 128 128 ARG CB C 13 31.292 0.002 . 1 . . . . A 126 ARG CB . 34161 1 1292 . 1 1 128 128 ARG CG C 13 28.498 0.014 . 1 . . . . A 126 ARG CG . 34161 1 1293 . 1 1 128 128 ARG CD C 13 44.609 0.034 . 1 . . . . A 126 ARG CD . 34161 1 1294 . 1 1 128 128 ARG N N 15 118.704 0.024 . 1 . . . . A 126 ARG N . 34161 1 1295 . 1 1 129 129 GLU H H 1 7.962 0.005 . 1 . . . . A 127 GLU H . 34161 1 1296 . 1 1 129 129 GLU HA H 1 4.041 0.007 . 1 . . . . A 127 GLU HA . 34161 1 1297 . 1 1 129 129 GLU HB2 H 1 2.324 0.017 . 2 . . . . A 127 GLU HB2 . 34161 1 1298 . 1 1 129 129 GLU HB3 H 1 2.134 0.004 . 2 . . . . A 127 GLU HB3 . 34161 1 1299 . 1 1 129 129 GLU HG2 H 1 2.331 0.005 . 2 . . . . A 127 GLU HG2 . 34161 1 1300 . 1 1 129 129 GLU HG3 H 1 2.331 0.005 . 2 . . . . A 127 GLU HG3 . 34161 1 1301 . 1 1 129 129 GLU CA C 13 59.986 0.005 . 1 . . . . A 127 GLU CA . 34161 1 1302 . 1 1 129 129 GLU CB C 13 31.407 0.04 . 1 . . . . A 127 GLU CB . 34161 1 1303 . 1 1 129 129 GLU CG C 13 37.641 0 . 1 . . . . A 127 GLU CG . 34161 1 1304 . 1 1 129 129 GLU N N 15 116.601 0.022 . 1 . . . . A 127 GLU N . 34161 1 1305 . 1 1 130 130 ALA H H 1 7.222 0.004 . 1 . . . . A 128 ALA H . 34161 1 1306 . 1 1 130 130 ALA HA H 1 4.479 0.033 . 1 . . . . A 128 ALA HA . 34161 1 1307 . 1 1 130 130 ALA HB1 H 1 1.327 0.003 . 1 . . . . A 128 ALA HB1 . 34161 1 1308 . 1 1 130 130 ALA HB2 H 1 1.327 0.003 . 1 . . . . A 128 ALA HB2 . 34161 1 1309 . 1 1 130 130 ALA HB3 H 1 1.327 0.003 . 1 . . . . A 128 ALA HB3 . 34161 1 1310 . 1 1 130 130 ALA CA C 13 53.099 0.044 . 1 . . . . A 128 ALA CA . 34161 1 1311 . 1 1 130 130 ALA CB C 13 23.942 0.03 . 1 . . . . A 128 ALA CB . 34161 1 1312 . 1 1 130 130 ALA N N 15 117.502 0.019 . 1 . . . . A 128 ALA N . 34161 1 1313 . 1 1 131 131 ASP H H 1 7.931 0.002 . 1 . . . . A 129 ASP H . 34161 1 1314 . 1 1 131 131 ASP HA H 1 4.571 0 . 1 . . . . A 129 ASP HA . 34161 1 1315 . 1 1 131 131 ASP HB2 H 1 2.899 0.005 . 2 . . . . A 129 ASP HB2 . 34161 1 1316 . 1 1 131 131 ASP HB3 H 1 2.668 0.009 . 2 . . . . A 129 ASP HB3 . 34161 1 1317 . 1 1 131 131 ASP CA C 13 55.562 0 . 1 . . . . A 129 ASP CA . 34161 1 1318 . 1 1 131 131 ASP CB C 13 41.682 0.017 . 1 . . . . A 129 ASP CB . 34161 1 1319 . 1 1 131 131 ASP N N 15 117.503 0.048 . 1 . . . . A 129 ASP N . 34161 1 1320 . 1 1 132 132 ILE H H 1 8.578 0.004 . 1 . . . . A 130 ILE H . 34161 1 1321 . 1 1 132 132 ILE HA H 1 3.966 0.01 . 1 . . . . A 130 ILE HA . 34161 1 1322 . 1 1 132 132 ILE HB H 1 2.018 0.009 . 1 . . . . A 130 ILE HB . 34161 1 1323 . 1 1 132 132 ILE HG12 H 1 1.309 0.008 . 2 . . . . A 130 ILE HG12 . 34161 1 1324 . 1 1 132 132 ILE HG13 H 1 1.691 0.009 . 2 . . . . A 130 ILE HG13 . 34161 1 1325 . 1 1 132 132 ILE HG21 H 1 0.968 0.002 . 1 . . . . A 130 ILE HG21 . 34161 1 1326 . 1 1 132 132 ILE HG22 H 1 0.968 0.002 . 1 . . . . A 130 ILE HG22 . 34161 1 1327 . 1 1 132 132 ILE HG23 H 1 0.968 0.002 . 1 . . . . A 130 ILE HG23 . 34161 1 1328 . 1 1 132 132 ILE HD11 H 1 0.903 0.006 . 1 . . . . A 130 ILE HD11 . 34161 1 1329 . 1 1 132 132 ILE HD12 H 1 0.903 0.006 . 1 . . . . A 130 ILE HD12 . 34161 1 1330 . 1 1 132 132 ILE HD13 H 1 0.903 0.006 . 1 . . . . A 130 ILE HD13 . 34161 1 1331 . 1 1 132 132 ILE CA C 13 64.374 0.035 . 1 . . . . A 130 ILE CA . 34161 1 1332 . 1 1 132 132 ILE CB C 13 39.831 0.023 . 1 . . . . A 130 ILE CB . 34161 1 1333 . 1 1 132 132 ILE CG1 C 13 28.901 0.059 . 1 . . . . A 130 ILE CG1 . 34161 1 1334 . 1 1 132 132 ILE CG2 C 13 18.459 0.006 . 1 . . . . A 130 ILE CG2 . 34161 1 1335 . 1 1 132 132 ILE CD1 C 13 13.659 0.034 . 1 . . . . A 130 ILE CD1 . 34161 1 1336 . 1 1 132 132 ILE N N 15 128.277 0.021 . 1 . . . . A 130 ILE N . 34161 1 1337 . 1 1 133 133 ASP H H 1 8.224 0 . 1 . . . . A 131 ASP H . 34161 1 1338 . 1 1 133 133 ASP HA H 1 4.598 0 . 1 . . . . A 131 ASP HA . 34161 1 1339 . 1 1 133 133 ASP HB2 H 1 2.676 0.009 . 2 . . . . A 131 ASP HB2 . 34161 1 1340 . 1 1 133 133 ASP HB3 H 1 3.123 0.01 . 2 . . . . A 131 ASP HB3 . 34161 1 1341 . 1 1 133 133 ASP CA C 13 54.86 0 . 1 . . . . A 131 ASP CA . 34161 1 1342 . 1 1 133 133 ASP CB C 13 40.875 0.002 . 1 . . . . A 131 ASP CB . 34161 1 1343 . 1 1 133 133 ASP N N 15 116.61 0 . 1 . . . . A 131 ASP N . 34161 1 1344 . 1 1 134 134 GLY H H 1 7.542 0 . 1 . . . . A 132 GLY H . 34161 1 1345 . 1 1 134 134 GLY HA2 H 1 3.861 0.008 . 2 . . . . A 132 GLY HA2 . 34161 1 1346 . 1 1 134 134 GLY HA3 H 1 4.011 0.007 . 2 . . . . A 132 GLY HA3 . 34161 1 1347 . 1 1 134 134 GLY CA C 13 48.515 0.072 . 1 . . . . A 132 GLY CA . 34161 1 1348 . 1 1 134 134 GLY N N 15 108.394 0 . 1 . . . . A 132 GLY N . 34161 1 1349 . 1 1 135 135 ASP H H 1 8.358 0.004 . 1 . . . . A 133 ASP H . 34161 1 1350 . 1 1 135 135 ASP HA H 1 4.533 0 . 1 . . . . A 133 ASP HA . 34161 1 1351 . 1 1 135 135 ASP HB2 H 1 2.981 0.012 . 2 . . . . A 133 ASP HB2 . 34161 1 1352 . 1 1 135 135 ASP HB3 H 1 2.514 0.007 . 2 . . . . A 133 ASP HB3 . 34161 1 1353 . 1 1 135 135 ASP CA C 13 54.639 0 . 1 . . . . A 133 ASP CA . 34161 1 1354 . 1 1 135 135 ASP CB C 13 41.373 0.074 . 1 . . . . A 133 ASP CB . 34161 1 1355 . 1 1 135 135 ASP N N 15 120.787 0.04 . 1 . . . . A 133 ASP N . 34161 1 1356 . 1 1 136 136 GLY H H 1 10.433 0.005 . 1 . . . . A 134 GLY H . 34161 1 1357 . 1 1 136 136 GLY HA2 H 1 4.062 0.01 . 2 . . . . A 134 GLY HA2 . 34161 1 1358 . 1 1 136 136 GLY HA3 H 1 3.469 0.008 . 2 . . . . A 134 GLY HA3 . 34161 1 1359 . 1 1 136 136 GLY CA C 13 47.01 0.019 . 1 . . . . A 134 GLY CA . 34161 1 1360 . 1 1 136 136 GLY N N 15 112.887 0.005 . 1 . . . . A 134 GLY N . 34161 1 1361 . 1 1 137 137 GLN H H 1 8.037 0.003 . 1 . . . . A 135 GLN H . 34161 1 1362 . 1 1 137 137 GLN HA H 1 4.902 0.014 . 1 . . . . A 135 GLN HA . 34161 1 1363 . 1 1 137 137 GLN HB2 H 1 2.099 0.003 . 2 . . . . A 135 GLN HB2 . 34161 1 1364 . 1 1 137 137 GLN HB3 H 1 1.762 0.008 . 2 . . . . A 135 GLN HB3 . 34161 1 1365 . 1 1 137 137 GLN HG2 H 1 2.716 0.005 . 2 . . . . A 135 GLN HG2 . 34161 1 1366 . 1 1 137 137 GLN HG3 H 1 2.558 0.016 . 2 . . . . A 135 GLN HG3 . 34161 1 1367 . 1 1 137 137 GLN CA C 13 54.314 0.085 . 1 . . . . A 135 GLN CA . 34161 1 1368 . 1 1 137 137 GLN CB C 13 33.137 0.028 . 1 . . . . A 135 GLN CB . 34161 1 1369 . 1 1 137 137 GLN CG C 13 34.14 0.046 . 1 . . . . A 135 GLN CG . 34161 1 1370 . 1 1 137 137 GLN N N 15 115.117 0.033 . 1 . . . . A 135 GLN N . 34161 1 1371 . 1 1 138 138 VAL H H 1 9.185 0.002 . 1 . . . . A 136 VAL H . 34161 1 1372 . 1 1 138 138 VAL HA H 1 5.258 0.011 . 1 . . . . A 136 VAL HA . 34161 1 1373 . 1 1 138 138 VAL HB H 1 2.539 0.006 . 1 . . . . A 136 VAL HB . 34161 1 1374 . 1 1 138 138 VAL HG11 H 1 1.454 0.008 . 2 . . . . A 136 VAL HG11 . 34161 1 1375 . 1 1 138 138 VAL HG12 H 1 1.454 0.008 . 2 . . . . A 136 VAL HG12 . 34161 1 1376 . 1 1 138 138 VAL HG13 H 1 1.454 0.008 . 2 . . . . A 136 VAL HG13 . 34161 1 1377 . 1 1 138 138 VAL HG21 H 1 1.172 0.007 . 2 . . . . A 136 VAL HG21 . 34161 1 1378 . 1 1 138 138 VAL HG22 H 1 1.172 0.007 . 2 . . . . A 136 VAL HG22 . 34161 1 1379 . 1 1 138 138 VAL HG23 H 1 1.172 0.007 . 2 . . . . A 136 VAL HG23 . 34161 1 1380 . 1 1 138 138 VAL CA C 13 62.849 0.049 . 1 . . . . A 136 VAL CA . 34161 1 1381 . 1 1 138 138 VAL CB C 13 34.714 0.036 . 1 . . . . A 136 VAL CB . 34161 1 1382 . 1 1 138 138 VAL CG1 C 13 23.228 0.028 . 1 . . . . A 136 VAL CG1 . 34161 1 1383 . 1 1 138 138 VAL CG2 C 13 23.775 0.021 . 1 . . . . A 136 VAL CG2 . 34161 1 1384 . 1 1 138 138 VAL N N 15 125.385 0.03 . 1 . . . . A 136 VAL N . 34161 1 1385 . 1 1 139 139 ASN H H 1 9.687 0.005 . 1 . . . . A 137 ASN H . 34161 1 1386 . 1 1 139 139 ASN HA H 1 5.322 0.009 . 1 . . . . A 137 ASN HA . 34161 1 1387 . 1 1 139 139 ASN HB2 H 1 3.37 0.015 . 2 . . . . A 137 ASN HB2 . 34161 1 1388 . 1 1 139 139 ASN HB3 H 1 3.392 0.027 . 2 . . . . A 137 ASN HB3 . 34161 1 1389 . 1 1 139 139 ASN HD21 H 1 7.197 0.008 . 1 . . . . A 137 ASN HD21 . 34161 1 1390 . 1 1 139 139 ASN HD22 H 1 6.781 0.021 . 1 . . . . A 137 ASN HD22 . 34161 1 1391 . 1 1 139 139 ASN CA C 13 52.234 0.043 . 1 . . . . A 137 ASN CA . 34161 1 1392 . 1 1 139 139 ASN CB C 13 39.348 0.011 . 1 . . . . A 137 ASN CB . 34161 1 1393 . 1 1 139 139 ASN N N 15 129.324 0.019 . 1 . . . . A 137 ASN N . 34161 1 1394 . 1 1 139 139 ASN ND2 N 15 108.131 0.002 . 1 . . . . A 137 ASN ND2 . 34161 1 1395 . 1 1 140 140 TYR H H 1 8.483 0.004 . 1 . . . . A 138 TYR H . 34161 1 1396 . 1 1 140 140 TYR HA H 1 3.363 0.011 . 1 . . . . A 138 TYR HA . 34161 1 1397 . 1 1 140 140 TYR HB2 H 1 2.409 0.012 . 2 . . . . A 138 TYR HB2 . 34161 1 1398 . 1 1 140 140 TYR HB3 H 1 2.128 0.092 . 2 . . . . A 138 TYR HB3 . 34161 1 1399 . 1 1 140 140 TYR HD1 H 1 6.41 0.035 . 1 . . . . A 138 TYR HD1 . 34161 1 1400 . 1 1 140 140 TYR HD2 H 1 6.41 0.035 . 1 . . . . A 138 TYR HD2 . 34161 1 1401 . 1 1 140 140 TYR HE1 H 1 6.625 0.014 . 1 . . . . A 138 TYR HE1 . 34161 1 1402 . 1 1 140 140 TYR HE2 H 1 6.625 0.014 . 1 . . . . A 138 TYR HE2 . 34161 1 1403 . 1 1 140 140 TYR CA C 13 63.588 0.037 . 1 . . . . A 138 TYR CA . 34161 1 1404 . 1 1 140 140 TYR CB C 13 38.756 0.041 . 1 . . . . A 138 TYR CB . 34161 1 1405 . 1 1 140 140 TYR CD1 C 13 132.554 0.035 . 1 . . . . A 138 TYR CD1 . 34161 1 1406 . 1 1 140 140 TYR CE1 C 13 118.058 0.027 . 1 . . . . A 138 TYR CE1 . 34161 1 1407 . 1 1 140 140 TYR N N 15 118.686 0.01 . 1 . . . . A 138 TYR N . 34161 1 1408 . 1 1 141 141 GLU H H 1 8.116 0.004 . 1 . . . . A 139 GLU H . 34161 1 1409 . 1 1 141 141 GLU HA H 1 3.645 0.006 . 1 . . . . A 139 GLU HA . 34161 1 1410 . 1 1 141 141 GLU HB2 H 1 2.088 0.009 . 2 . . . . A 139 GLU HB2 . 34161 1 1411 . 1 1 141 141 GLU HB3 H 1 2.091 0.009 . 2 . . . . A 139 GLU HB3 . 34161 1 1412 . 1 1 141 141 GLU HG2 H 1 2.313 0.004 . 2 . . . . A 139 GLU HG2 . 34161 1 1413 . 1 1 141 141 GLU HG3 H 1 2.375 0.005 . 2 . . . . A 139 GLU HG3 . 34161 1 1414 . 1 1 141 141 GLU CA C 13 61.321 0.041 . 1 . . . . A 139 GLU CA . 34161 1 1415 . 1 1 141 141 GLU CB C 13 30.007 0.028 . 1 . . . . A 139 GLU CB . 34161 1 1416 . 1 1 141 141 GLU CG C 13 38.18 0.026 . 1 . . . . A 139 GLU CG . 34161 1 1417 . 1 1 141 141 GLU N N 15 118.698 0.027 . 1 . . . . A 139 GLU N . 34161 1 1418 . 1 1 142 142 GLU H H 1 8.789 0.003 . 1 . . . . A 140 GLU H . 34161 1 1419 . 1 1 142 142 GLU HA H 1 3.989 0.006 . 1 . . . . A 140 GLU HA . 34161 1 1420 . 1 1 142 142 GLU HB2 H 1 2.6 0.009 . 2 . . . . A 140 GLU HB2 . 34161 1 1421 . 1 1 142 142 GLU HB3 H 1 2.145 0.007 . 2 . . . . A 140 GLU HB3 . 34161 1 1422 . 1 1 142 142 GLU HG2 H 1 2.313 0.005 . 2 . . . . A 140 GLU HG2 . 34161 1 1423 . 1 1 142 142 GLU HG3 H 1 2.313 0.005 . 2 . . . . A 140 GLU HG3 . 34161 1 1424 . 1 1 142 142 GLU CA C 13 59.558 0.025 . 1 . . . . A 140 GLU CA . 34161 1 1425 . 1 1 142 142 GLU CB C 13 30.911 0.068 . 1 . . . . A 140 GLU CB . 34161 1 1426 . 1 1 142 142 GLU CG C 13 37.467 0.013 . 1 . . . . A 140 GLU CG . 34161 1 1427 . 1 1 142 142 GLU N N 15 119.799 0.037 . 1 . . . . A 140 GLU N . 34161 1 1428 . 1 1 143 143 PHE H H 1 8.656 0.008 . 1 . . . . A 141 PHE H . 34161 1 1429 . 1 1 143 143 PHE HA H 1 3.881 0.006 . 1 . . . . A 141 PHE HA . 34161 1 1430 . 1 1 143 143 PHE HB2 H 1 3.333 0.008 . 2 . . . . A 141 PHE HB2 . 34161 1 1431 . 1 1 143 143 PHE HB3 H 1 3.476 0.015 . 2 . . . . A 141 PHE HB3 . 34161 1 1432 . 1 1 143 143 PHE HD1 H 1 7.31 0.014 . 1 . . . . A 141 PHE HD1 . 34161 1 1433 . 1 1 143 143 PHE HD2 H 1 7.31 0.014 . 1 . . . . A 141 PHE HD2 . 34161 1 1434 . 1 1 143 143 PHE HE1 H 1 6.659 0.011 . 1 . . . . A 141 PHE HE1 . 34161 1 1435 . 1 1 143 143 PHE HE2 H 1 6.659 0.011 . 1 . . . . A 141 PHE HE2 . 34161 1 1436 . 1 1 143 143 PHE HZ H 1 7.294 0.005 . 1 . . . . A 141 PHE HZ . 34161 1 1437 . 1 1 143 143 PHE CA C 13 62.951 0.072 . 1 . . . . A 141 PHE CA . 34161 1 1438 . 1 1 143 143 PHE CB C 13 41.2 0.04 . 1 . . . . A 141 PHE CB . 34161 1 1439 . 1 1 143 143 PHE CD2 C 13 129.668 0.037 . 1 . . . . A 141 PHE CD2 . 34161 1 1440 . 1 1 143 143 PHE CE2 C 13 131.952 0.091 . 1 . . . . A 141 PHE CE2 . 34161 1 1441 . 1 1 143 143 PHE CZ C 13 132.012 0.038 . 1 . . . . A 141 PHE CZ . 34161 1 1442 . 1 1 143 143 PHE N N 15 122.639 0.054 . 1 . . . . A 141 PHE N . 34161 1 1443 . 1 1 144 144 VAL H H 1 8.854 0.007 . 1 . . . . A 142 VAL H . 34161 1 1444 . 1 1 144 144 VAL HA H 1 3.074 0.008 . 1 . . . . A 142 VAL HA . 34161 1 1445 . 1 1 144 144 VAL HB H 1 1.809 0.012 . 1 . . . . A 142 VAL HB . 34161 1 1446 . 1 1 144 144 VAL HG11 H 1 0.714 0.09 . 2 . . . . A 142 VAL HG11 . 34161 1 1447 . 1 1 144 144 VAL HG12 H 1 0.714 0.09 . 2 . . . . A 142 VAL HG12 . 34161 1 1448 . 1 1 144 144 VAL HG13 H 1 0.714 0.09 . 2 . . . . A 142 VAL HG13 . 34161 1 1449 . 1 1 144 144 VAL HG21 H 1 0.489 0.007 . 2 . . . . A 142 VAL HG21 . 34161 1 1450 . 1 1 144 144 VAL HG22 H 1 0.489 0.007 . 2 . . . . A 142 VAL HG22 . 34161 1 1451 . 1 1 144 144 VAL HG23 H 1 0.489 0.007 . 2 . . . . A 142 VAL HG23 . 34161 1 1452 . 1 1 144 144 VAL CA C 13 68.183 0.032 . 1 . . . . A 142 VAL CA . 34161 1 1453 . 1 1 144 144 VAL CB C 13 32.499 0.06 . 1 . . . . A 142 VAL CB . 34161 1 1454 . 1 1 144 144 VAL CG1 C 13 22.478 0.032 . 1 . . . . A 142 VAL CG1 . 34161 1 1455 . 1 1 144 144 VAL CG2 C 13 24.261 0.024 . 1 . . . . A 142 VAL CG2 . 34161 1 1456 . 1 1 144 144 VAL N N 15 119.897 0.112 . 1 . . . . A 142 VAL N . 34161 1 1457 . 1 1 145 145 GLN H H 1 7.548 0.002 . 1 . . . . A 143 GLN H . 34161 1 1458 . 1 1 145 145 GLN HA H 1 3.83 0.006 . 1 . . . . A 143 GLN HA . 34161 1 1459 . 1 1 145 145 GLN HB2 H 1 2.047 0.006 . 2 . . . . A 143 GLN HB2 . 34161 1 1460 . 1 1 145 145 GLN HB3 H 1 2.047 0.006 . 2 . . . . A 143 GLN HB3 . 34161 1 1461 . 1 1 145 145 GLN HG2 H 1 2.389 0.01 . 2 . . . . A 143 GLN HG2 . 34161 1 1462 . 1 1 145 145 GLN HG3 H 1 2.389 0.01 . 2 . . . . A 143 GLN HG3 . 34161 1 1463 . 1 1 145 145 GLN CA C 13 59.874 0.041 . 1 . . . . A 143 GLN CA . 34161 1 1464 . 1 1 145 145 GLN CB C 13 29.012 0.013 . 1 . . . . A 143 GLN CB . 34161 1 1465 . 1 1 145 145 GLN CG C 13 35.212 0 . 1 . . . . A 143 GLN CG . 34161 1 1466 . 1 1 145 145 GLN N N 15 118.252 0.029 . 1 . . . . A 143 GLN N . 34161 1 1467 . 1 1 146 146 MET H H 1 7.111 0.004 . 1 . . . . A 144 MET H . 34161 1 1468 . 1 1 146 146 MET HA H 1 4.218 0.013 . 1 . . . . A 144 MET HA . 34161 1 1469 . 1 1 146 146 MET HB2 H 1 0.974 0.006 . 2 . . . . A 144 MET HB2 . 34161 1 1470 . 1 1 146 146 MET HB3 H 1 1.387 0.01 . 2 . . . . A 144 MET HB3 . 34161 1 1471 . 1 1 146 146 MET HG2 H 1 2.401 0.003 . 2 . . . . A 144 MET HG2 . 34161 1 1472 . 1 1 146 146 MET HG3 H 1 2.401 0.003 . 2 . . . . A 144 MET HG3 . 34161 1 1473 . 1 1 146 146 MET HE1 H 1 1.904 0.004 . 1 . . . . A 144 MET HE1 . 34161 1 1474 . 1 1 146 146 MET HE2 H 1 1.904 0.004 . 1 . . . . A 144 MET HE2 . 34161 1 1475 . 1 1 146 146 MET HE3 H 1 1.904 0.004 . 1 . . . . A 144 MET HE3 . 34161 1 1476 . 1 1 146 146 MET CA C 13 56.573 0.065 . 1 . . . . A 144 MET CA . 34161 1 1477 . 1 1 146 146 MET CB C 13 32.785 0.048 . 1 . . . . A 144 MET CB . 34161 1 1478 . 1 1 146 146 MET CG C 13 34.711 0.061 . 1 . . . . A 144 MET CG . 34161 1 1479 . 1 1 146 146 MET CE C 13 18.379 0.029 . 1 . . . . A 144 MET CE . 34161 1 1480 . 1 1 146 146 MET N N 15 114.924 0.042 . 1 . . . . A 144 MET N . 34161 1 1481 . 1 1 147 147 MET H H 1 7.904 0.004 . 1 . . . . A 145 MET H . 34161 1 1482 . 1 1 147 147 MET HA H 1 4.392 0.002 . 1 . . . . A 145 MET HA . 34161 1 1483 . 1 1 147 147 MET HB2 H 1 1.775 0.009 . 1 . . . . A 145 MET HB2 . 34161 1 1484 . 1 1 147 147 MET HB3 H 1 1.743 0.031 . 1 . . . . A 145 MET HB3 . 34161 1 1485 . 1 1 147 147 MET HG2 H 1 2.3 0.001 . 2 . . . . A 145 MET HG2 . 34161 1 1486 . 1 1 147 147 MET HG3 H 1 2.3 0.001 . 2 . . . . A 145 MET HG3 . 34161 1 1487 . 1 1 147 147 MET HE1 H 1 2.016 0.005 . 1 . . . . A 145 MET HE1 . 34161 1 1488 . 1 1 147 147 MET HE2 H 1 2.016 0.005 . 1 . . . . A 145 MET HE2 . 34161 1 1489 . 1 1 147 147 MET HE3 H 1 2.016 0.005 . 1 . . . . A 145 MET HE3 . 34161 1 1490 . 1 1 147 147 MET CA C 13 56.53 0.001 . 1 . . . . A 145 MET CA . 34161 1 1491 . 1 1 147 147 MET CB C 13 34.186 0.082 . 1 . . . . A 145 MET CB . 34161 1 1492 . 1 1 147 147 MET CG C 13 33.166 0.049 . 1 . . . . A 145 MET CG . 34161 1 1493 . 1 1 147 147 MET CE C 13 18.433 0.037 . 1 . . . . A 145 MET CE . 34161 1 1494 . 1 1 147 147 MET N N 15 116.508 0.041 . 1 . . . . A 145 MET N . 34161 1 1495 . 1 1 148 148 THR H H 1 7.495 0.009 . 1 . . . . A 146 THR H . 34161 1 1496 . 1 1 148 148 THR HA H 1 4.038 0.001 . 1 . . . . A 146 THR HA . 34161 1 1497 . 1 1 148 148 THR HB H 1 4.295 0 . 1 . . . . A 146 THR HB . 34161 1 1498 . 1 1 148 148 THR HG21 H 1 1.11 0.015 . 1 . . . . A 146 THR HG21 . 34161 1 1499 . 1 1 148 148 THR HG22 H 1 1.11 0.015 . 1 . . . . A 146 THR HG22 . 34161 1 1500 . 1 1 148 148 THR HG23 H 1 1.11 0.015 . 1 . . . . A 146 THR HG23 . 34161 1 1501 . 1 1 148 148 THR CA C 13 62.616 0 . 1 . . . . A 146 THR CA . 34161 1 1502 . 1 1 148 148 THR CB C 13 71.175 0 . 1 . . . . A 146 THR CB . 34161 1 1503 . 1 1 148 148 THR CG2 C 13 22.491 0.02 . 1 . . . . A 146 THR CG2 . 34161 1 1504 . 1 1 148 148 THR N N 15 108.366 0.011 . 1 . . . . A 146 THR N . 34161 1 1505 . 1 1 149 149 ALA H H 1 7.421 0.007 . 1 . . . . A 147 ALA H . 34161 1 1506 . 1 1 149 149 ALA HA H 1 4.274 0.011 . 1 . . . . A 147 ALA HA . 34161 1 1507 . 1 1 149 149 ALA HB1 H 1 1.398 0.008 . 1 . . . . A 147 ALA HB1 . 34161 1 1508 . 1 1 149 149 ALA HB2 H 1 1.398 0.008 . 1 . . . . A 147 ALA HB2 . 34161 1 1509 . 1 1 149 149 ALA HB3 H 1 1.398 0.008 . 1 . . . . A 147 ALA HB3 . 34161 1 1510 . 1 1 149 149 ALA CA C 13 53.914 0.006 . 1 . . . . A 147 ALA CA . 34161 1 1511 . 1 1 149 149 ALA CB C 13 20.179 0.005 . 1 . . . . A 147 ALA CB . 34161 1 1512 . 1 1 149 149 ALA N N 15 126.572 0.009 . 1 . . . . A 147 ALA N . 34161 1 1513 . 1 1 150 150 LYS H H 1 7.798 0.001 . 1 . . . . A 148 LYS H . 34161 1 1514 . 1 1 150 150 LYS HA H 1 4.181 0.007 . 1 . . . . A 148 LYS HA . 34161 1 1515 . 1 1 150 150 LYS HB2 H 1 1.834 0.008 . 2 . . . . A 148 LYS HB2 . 34161 1 1516 . 1 1 150 150 LYS HB3 H 1 1.692 0.002 . 2 . . . . A 148 LYS HB3 . 34161 1 1517 . 1 1 150 150 LYS HG2 H 1 1.405 0.003 . 2 . . . . A 148 LYS HG2 . 34161 1 1518 . 1 1 150 150 LYS HG3 H 1 1.405 0.004 . 2 . . . . A 148 LYS HG3 . 34161 1 1519 . 1 1 150 150 LYS HD2 H 1 1.68 0.007 . 2 . . . . A 148 LYS HD2 . 34161 1 1520 . 1 1 150 150 LYS HD3 H 1 1.678 0.006 . 2 . . . . A 148 LYS HD3 . 34161 1 1521 . 1 1 150 150 LYS HE2 H 1 3 0.006 . 2 . . . . A 148 LYS HE2 . 34161 1 1522 . 1 1 150 150 LYS HE3 H 1 2.996 0.004 . 2 . . . . A 148 LYS HE3 . 34161 1 1523 . 1 1 150 150 LYS CA C 13 58.372 0.028 . 1 . . . . A 148 LYS CA . 34161 1 1524 . 1 1 150 150 LYS CB C 13 34.986 0.032 . 1 . . . . A 148 LYS CB . 34161 1 1525 . 1 1 150 150 LYS CG C 13 25.916 0 . 1 . . . . A 148 LYS CG . 34161 1 1526 . 1 1 150 150 LYS CD C 13 30.116 0.01 . 1 . . . . A 148 LYS CD . 34161 1 1527 . 1 1 150 150 LYS CE C 13 43.489 0 . 1 . . . . A 148 LYS CE . 34161 1 1528 . 1 1 150 150 LYS N N 15 125.338 0.025 . 1 . . . . A 148 LYS N . 34161 1 1529 . 2 2 2 2 ALA H H 1 8.23 0 . 1 . . . . C 654 ALA H . 34161 1 1530 . 2 2 2 2 ALA HA H 1 4.369 0 . 1 . . . . C 654 ALA HA . 34161 1 1531 . 2 2 2 2 ALA HB1 H 1 1.424 0.001 . 1 . . . . C 654 ALA HB1 . 34161 1 1532 . 2 2 2 2 ALA HB2 H 1 1.424 0.001 . 1 . . . . C 654 ALA HB2 . 34161 1 1533 . 2 2 2 2 ALA HB3 H 1 1.424 0.001 . 1 . . . . C 654 ALA HB3 . 34161 1 1534 . 2 2 2 2 ALA CB C 13 19.26 0 . 1 . . . . C 654 ALA CB . 34161 1 1535 . 2 2 2 2 ALA N N 15 124.741 0 . 1 . . . . C 654 ALA N . 34161 1 1536 . 2 2 5 5 GLU HB2 H 1 2.102 0.004 . 2 . . . . C 657 GLU HB2 . 34161 1 1537 . 2 2 5 5 GLU HB3 H 1 1.95 0.003 . 2 . . . . C 657 GLU HB3 . 34161 1 1538 . 2 2 5 5 GLU CB C 13 30.188 0 . 1 . . . . C 657 GLU CB . 34161 1 1539 . 2 2 6 6 ASP HA H 1 4.621 0 . 1 . . . . C 658 ASP HA . 34161 1 1540 . 2 2 6 6 ASP HB2 H 1 2.713 0 . 2 . . . . C 658 ASP HB2 . 34161 1 1541 . 2 2 6 6 ASP HB3 H 1 2.713 0 . 2 . . . . C 658 ASP HB3 . 34161 1 1542 . 2 2 6 6 ASP CB C 13 41.326 0 . 1 . . . . C 658 ASP CB . 34161 1 1543 . 2 2 7 7 ASP H H 1 8.249 0 . 1 . . . . C 659 ASP H . 34161 1 1544 . 2 2 7 7 ASP HA H 1 4.614 0 . 1 . . . . C 659 ASP HA . 34161 1 1545 . 2 2 7 7 ASP CA C 13 54.411 0.011 . 1 . . . . C 659 ASP CA . 34161 1 1546 . 2 2 7 7 ASP CB C 13 41.184 0 . 1 . . . . C 659 ASP CB . 34161 1 1547 . 2 2 7 7 ASP N N 15 120.834 0 . 1 . . . . C 659 ASP N . 34161 1 1548 . 2 2 8 8 GLN H H 1 8.224 0 . 1 . . . . C 660 GLN H . 34161 1 1549 . 2 2 8 8 GLN CB C 13 29.642 0 . 1 . . . . C 660 GLN CB . 34161 1 1550 . 2 2 8 8 GLN N N 15 119.857 0.021 . 1 . . . . C 660 GLN N . 34161 1 1551 . 2 2 25 25 ALA HA H 1 4.353 0.002 . 1 . . . . C 677 ALA HA . 34161 1 1552 . 2 2 25 25 ALA HB1 H 1 1.382 0.001 . 1 . . . . C 677 ALA HB1 . 34161 1 1553 . 2 2 25 25 ALA HB2 H 1 1.382 0.001 . 1 . . . . C 677 ALA HB2 . 34161 1 1554 . 2 2 25 25 ALA HB3 H 1 1.382 0.001 . 1 . . . . C 677 ALA HB3 . 34161 1 1555 . 2 2 25 25 ALA CA C 13 52.767 0.081 . 1 . . . . C 677 ALA CA . 34161 1 1556 . 2 2 25 25 ALA CB C 13 19.212 0 . 1 . . . . C 677 ALA CB . 34161 1 1557 . 2 2 28 28 SER HA H 1 4.444 0 . 1 . . . . C 680 SER HA . 34161 1 1558 . 2 2 28 28 SER HB2 H 1 3.892 0.002 . 2 . . . . C 680 SER HB2 . 34161 1 1559 . 2 2 28 28 SER HB3 H 1 3.892 0.002 . 2 . . . . C 680 SER HB3 . 34161 1 1560 . 2 2 28 28 SER CA C 13 58.366 0 . 1 . . . . C 680 SER CA . 34161 1 1561 . 2 2 28 28 SER CB C 13 63.826 0.022 . 1 . . . . C 680 SER CB . 34161 1 1562 . 2 2 29 29 LEU HA H 1 4.318 0.037 . 1 . . . . C 681 LEU HA . 34161 1 1563 . 2 2 29 29 LEU HB2 H 1 1.646 0.002 . 2 . . . . C 681 LEU HB2 . 34161 1 1564 . 2 2 29 29 LEU HB3 H 1 1.646 0.002 . 2 . . . . C 681 LEU HB3 . 34161 1 1565 . 2 2 29 29 LEU CA C 13 55.401 0.167 . 1 . . . . C 681 LEU CA . 34161 1 1566 . 2 2 29 29 LEU CB C 13 42.454 0.029 . 1 . . . . C 681 LEU CB . 34161 1 1567 . 2 2 30 30 ALA H H 1 8.107 0.002 . 1 . . . . C 682 ALA H . 34161 1 1568 . 2 2 30 30 ALA HA H 1 4.346 0 . 1 . . . . C 682 ALA HA . 34161 1 1569 . 2 2 30 30 ALA HB1 H 1 1.358 0 . 1 . . . . C 682 ALA HB1 . 34161 1 1570 . 2 2 30 30 ALA HB2 H 1 1.358 0 . 1 . . . . C 682 ALA HB2 . 34161 1 1571 . 2 2 30 30 ALA HB3 H 1 1.358 0 . 1 . . . . C 682 ALA HB3 . 34161 1 1572 . 2 2 30 30 ALA CA C 13 52.113 0.014 . 1 . . . . C 682 ALA CA . 34161 1 1573 . 2 2 30 30 ALA CB C 13 19.198 0.015 . 1 . . . . C 682 ALA CB . 34161 1 1574 . 2 2 30 30 ALA N N 15 124.518 0.044 . 1 . . . . C 682 ALA N . 34161 1 1575 . 2 2 31 31 LEU H H 1 8.069 0.002 . 1 . . . . C 683 LEU H . 34161 1 1576 . 2 2 31 31 LEU N N 15 122.725 0.015 . 1 . . . . C 683 LEU N . 34161 1 1577 . 2 2 48 48 GLY H H 1 10.014 0.032 . 1 . . . . C 700 GLY H . 34161 1 1578 . 2 2 48 48 GLY HA2 H 1 3.579 0.004 . 1 . . . . C 700 GLY HA2 . 34161 1 1579 . 2 2 48 48 GLY HA3 H 1 4.173 0.007 . 1 . . . . C 700 GLY HA3 . 34161 1 1580 . 2 2 48 48 GLY CA C 13 47.203 0.035 . 1 . . . . C 700 GLY CA . 34161 1 1581 . 2 2 49 49 TRP H H 1 8.045 0.005 . 1 . . . . C 701 TRP H . 34161 1 1582 . 2 2 49 49 TRP HA H 1 4.402 0.003 . 1 . . . . C 701 TRP HA . 34161 1 1583 . 2 2 49 49 TRP HB2 H 1 3.261 0.01 . 2 . . . . C 701 TRP HB2 . 34161 1 1584 . 2 2 49 49 TRP HB3 H 1 3.267 0.008 . 2 . . . . C 701 TRP HB3 . 34161 1 1585 . 2 2 49 49 TRP HD1 H 1 7.512 0.007 . 1 . . . . C 701 TRP HD1 . 34161 1 1586 . 2 2 49 49 TRP HE1 H 1 10.686 0.004 . 1 . . . . C 701 TRP HE1 . 34161 1 1587 . 2 2 49 49 TRP HE3 H 1 7.419 0.003 . 1 . . . . C 701 TRP HE3 . 34161 1 1588 . 2 2 49 49 TRP HZ2 H 1 7.075 0.006 . 1 . . . . C 701 TRP HZ2 . 34161 1 1589 . 2 2 49 49 TRP HH2 H 1 7.007 0.007 . 1 . . . . C 701 TRP HH2 . 34161 1 1590 . 2 2 49 49 TRP CA C 13 60.563 0.033 . 1 . . . . C 701 TRP CA . 34161 1 1591 . 2 2 49 49 TRP CB C 13 29.141 0 . 1 . . . . C 701 TRP CB . 34161 1 1592 . 2 2 49 49 TRP N N 15 120.238 0.02 . 1 . . . . C 701 TRP N . 34161 1 1593 . 2 2 49 49 TRP NE1 N 15 129.412 0.014 . 1 . . . . C 701 TRP NE1 . 34161 1 1594 . 2 2 50 50 GLU H H 1 7.916 0.004 . 1 . . . . C 702 GLU H . 34161 1 1595 . 2 2 50 50 GLU HA H 1 4.185 0.004 . 1 . . . . C 702 GLU HA . 34161 1 1596 . 2 2 50 50 GLU HB2 H 1 2.211 0.002 . 2 . . . . C 702 GLU HB2 . 34161 1 1597 . 2 2 50 50 GLU HB3 H 1 2.208 0.004 . 2 . . . . C 702 GLU HB3 . 34161 1 1598 . 2 2 50 50 GLU HG2 H 1 2.23 0.008 . 2 . . . . C 702 GLU HG2 . 34161 1 1599 . 2 2 50 50 GLU HG3 H 1 2.23 0.007 . 2 . . . . C 702 GLU HG3 . 34161 1 1600 . 2 2 50 50 GLU CA C 13 59.591 0.029 . 1 . . . . C 702 GLU CA . 34161 1 1601 . 2 2 50 50 GLU CB C 13 29.274 0.029 . 1 . . . . C 702 GLU CB . 34161 1 1602 . 2 2 50 50 GLU CG C 13 36.263 0 . 1 . . . . C 702 GLU CG . 34161 1 1603 . 2 2 50 50 GLU N N 15 120.488 0.014 . 1 . . . . C 702 GLU N . 34161 1 1604 . 2 2 51 51 ILE H H 1 8.063 0.003 . 1 . . . . C 703 ILE H . 34161 1 1605 . 2 2 51 51 ILE HA H 1 3.756 0.007 . 1 . . . . C 703 ILE HA . 34161 1 1606 . 2 2 51 51 ILE HB H 1 1.907 0.004 . 1 . . . . C 703 ILE HB . 34161 1 1607 . 2 2 51 51 ILE HG12 H 1 1.135 0.004 . 2 . . . . C 703 ILE HG12 . 34161 1 1608 . 2 2 51 51 ILE HG13 H 1 1.66 0.005 . 2 . . . . C 703 ILE HG13 . 34161 1 1609 . 2 2 51 51 ILE HG21 H 1 0.829 0.004 . 1 . . . . C 703 ILE HG21 . 34161 1 1610 . 2 2 51 51 ILE HG22 H 1 0.829 0.004 . 1 . . . . C 703 ILE HG22 . 34161 1 1611 . 2 2 51 51 ILE HG23 H 1 0.829 0.004 . 1 . . . . C 703 ILE HG23 . 34161 1 1612 . 2 2 51 51 ILE CA C 13 64.67 0.022 . 1 . . . . C 703 ILE CA . 34161 1 1613 . 2 2 51 51 ILE CB C 13 38.059 0.018 . 1 . . . . C 703 ILE CB . 34161 1 1614 . 2 2 51 51 ILE CG1 C 13 28.883 0.02 . 1 . . . . C 703 ILE CG1 . 34161 1 1615 . 2 2 51 51 ILE CG2 C 13 17.443 0.02 . 1 . . . . C 703 ILE CG2 . 34161 1 1616 . 2 2 51 51 ILE N N 15 119.978 0.013 . 1 . . . . C 703 ILE N . 34161 1 1617 . 2 2 52 52 LEU H H 1 7.899 0.006 . 1 . . . . C 704 LEU H . 34161 1 1618 . 2 2 52 52 LEU HA H 1 4.074 0.008 . 1 . . . . C 704 LEU HA . 34161 1 1619 . 2 2 52 52 LEU HB2 H 1 1.683 0.009 . 1 . . . . C 704 LEU HB2 . 34161 1 1620 . 2 2 52 52 LEU HB3 H 1 1.848 0.006 . 1 . . . . C 704 LEU HB3 . 34161 1 1621 . 2 2 52 52 LEU HG H 1 1.656 0.011 . 1 . . . . C 704 LEU HG . 34161 1 1622 . 2 2 52 52 LEU HD11 H 1 0.756 0.007 . 1 . . . . C 704 LEU HD11 . 34161 1 1623 . 2 2 52 52 LEU HD12 H 1 0.756 0.007 . 1 . . . . C 704 LEU HD12 . 34161 1 1624 . 2 2 52 52 LEU HD13 H 1 0.756 0.007 . 1 . . . . C 704 LEU HD13 . 34161 1 1625 . 2 2 52 52 LEU HD21 H 1 0.604 0.007 . 1 . . . . C 704 LEU HD21 . 34161 1 1626 . 2 2 52 52 LEU HD22 H 1 0.604 0.007 . 1 . . . . C 704 LEU HD22 . 34161 1 1627 . 2 2 52 52 LEU HD23 H 1 0.604 0.007 . 1 . . . . C 704 LEU HD23 . 34161 1 1628 . 2 2 52 52 LEU CA C 13 58.442 0.02 . 1 . . . . C 704 LEU CA . 34161 1 1629 . 2 2 52 52 LEU CB C 13 41.98 0.098 . 1 . . . . C 704 LEU CB . 34161 1 1630 . 2 2 52 52 LEU CG C 13 27.012 0.038 . 1 . . . . C 704 LEU CG . 34161 1 1631 . 2 2 52 52 LEU CD1 C 13 24.541 0.028 . 1 . . . . C 704 LEU CD1 . 34161 1 1632 . 2 2 52 52 LEU CD2 C 13 25.486 0.04 . 1 . . . . C 704 LEU CD2 . 34161 1 1633 . 2 2 52 52 LEU N N 15 120.709 0.02 . 1 . . . . C 704 LEU N . 34161 1 1634 . 2 2 53 53 ARG H H 1 8.891 0.005 . 1 . . . . C 705 ARG H . 34161 1 1635 . 2 2 53 53 ARG HA H 1 4.059 0.006 . 1 . . . . C 705 ARG HA . 34161 1 1636 . 2 2 53 53 ARG HB2 H 1 2.056 0.002 . 2 . . . . C 705 ARG HB2 . 34161 1 1637 . 2 2 53 53 ARG HB3 H 1 2.054 0.004 . 2 . . . . C 705 ARG HB3 . 34161 1 1638 . 2 2 53 53 ARG HG2 H 1 1.902 0.011 . 2 . . . . C 705 ARG HG2 . 34161 1 1639 . 2 2 53 53 ARG HG3 H 1 1.805 0.027 . 2 . . . . C 705 ARG HG3 . 34161 1 1640 . 2 2 53 53 ARG HD2 H 1 3.205 0.004 . 2 . . . . C 705 ARG HD2 . 34161 1 1641 . 2 2 53 53 ARG HD3 H 1 3.21 0 . 2 . . . . C 705 ARG HD3 . 34161 1 1642 . 2 2 53 53 ARG CA C 13 60.903 0.022 . 1 . . . . C 705 ARG CA . 34161 1 1643 . 2 2 53 53 ARG CB C 13 31.086 0.012 . 1 . . . . C 705 ARG CB . 34161 1 1644 . 2 2 53 53 ARG CG C 13 30.85 0.037 . 1 . . . . C 705 ARG CG . 34161 1 1645 . 2 2 53 53 ARG N N 15 122.348 0.007 . 1 . . . . C 705 ARG N . 34161 1 1646 . 2 2 54 54 GLN H H 1 8.402 0.006 . 1 . . . . C 706 GLN H . 34161 1 1647 . 2 2 54 54 GLN HA H 1 4.073 0.007 . 1 . . . . C 706 GLN HA . 34161 1 1648 . 2 2 54 54 GLN HB2 H 1 2.172 0.006 . 1 . . . . C 706 GLN HB2 . 34161 1 1649 . 2 2 54 54 GLN HB3 H 1 2.219 0.006 . 1 . . . . C 706 GLN HB3 . 34161 1 1650 . 2 2 54 54 GLN HG2 H 1 2.563 0.011 . 2 . . . . C 706 GLN HG2 . 34161 1 1651 . 2 2 54 54 GLN HG3 H 1 2.493 0.003 . 2 . . . . C 706 GLN HG3 . 34161 1 1652 . 2 2 54 54 GLN HE21 H 1 7.575 0.004 . 2 . . . . C 706 GLN HE21 . 34161 1 1653 . 2 2 54 54 GLN HE22 H 1 6.811 0.008 . 2 . . . . C 706 GLN HE22 . 34161 1 1654 . 2 2 54 54 GLN CA C 13 58.586 0.058 . 1 . . . . C 706 GLN CA . 34161 1 1655 . 2 2 54 54 GLN CB C 13 28.4 0.013 . 1 . . . . C 706 GLN CB . 34161 1 1656 . 2 2 54 54 GLN CG C 13 33.932 0.018 . 1 . . . . C 706 GLN CG . 34161 1 1657 . 2 2 54 54 GLN N N 15 117.815 0.017 . 1 . . . . C 706 GLN N . 34161 1 1658 . 2 2 54 54 GLN NE2 N 15 112.738 0.021 . 1 . . . . C 706 GLN NE2 . 34161 1 1659 . 2 2 55 55 ASN H H 1 7.934 0.008 . 1 . . . . C 707 ASN H . 34161 1 1660 . 2 2 55 55 ASN HA H 1 4.657 0.017 . 1 . . . . C 707 ASN HA . 34161 1 1661 . 2 2 55 55 ASN HB2 H 1 2.79 0.004 . 1 . . . . C 707 ASN HB2 . 34161 1 1662 . 2 2 55 55 ASN HB3 H 1 2.82 0.011 . 1 . . . . C 707 ASN HB3 . 34161 1 1663 . 2 2 55 55 ASN HD21 H 1 7.689 0.003 . 1 . . . . C 707 ASN HD21 . 34161 1 1664 . 2 2 55 55 ASN HD22 H 1 7.371 0.005 . 1 . . . . C 707 ASN HD22 . 34161 1 1665 . 2 2 55 55 ASN CA C 13 55.879 0 . 1 . . . . C 707 ASN CA . 34161 1 1666 . 2 2 55 55 ASN CB C 13 40.904 0.026 . 1 . . . . C 707 ASN CB . 34161 1 1667 . 2 2 55 55 ASN N N 15 115.22 0.008 . 1 . . . . C 707 ASN N . 34161 1 1668 . 2 2 55 55 ASN ND2 N 15 114.457 0.013 . 1 . . . . C 707 ASN ND2 . 34161 1 1669 . 2 2 56 56 THR H H 1 7.976 0.002 . 1 . . . . C 708 THR H . 34161 1 1670 . 2 2 56 56 THR HA H 1 4.334 0.003 . 1 . . . . C 708 THR HA . 34161 1 1671 . 2 2 56 56 THR HB H 1 4.231 0.022 . 1 . . . . C 708 THR HB . 34161 1 1672 . 2 2 56 56 THR HG21 H 1 1.302 0.01 . 1 . . . . C 708 THR HG21 . 34161 1 1673 . 2 2 56 56 THR HG22 H 1 1.302 0.01 . 1 . . . . C 708 THR HG22 . 34161 1 1674 . 2 2 56 56 THR HG23 H 1 1.302 0.01 . 1 . . . . C 708 THR HG23 . 34161 1 1675 . 2 2 56 56 THR CA C 13 65.255 0.037 . 1 . . . . C 708 THR CA . 34161 1 1676 . 2 2 56 56 THR CB C 13 69.896 0.055 . 1 . . . . C 708 THR CB . 34161 1 1677 . 2 2 56 56 THR CG2 C 13 21.99 0.038 . 1 . . . . C 708 THR CG2 . 34161 1 1678 . 2 2 56 56 THR N N 15 113.869 0.019 . 1 . . . . C 708 THR N . 34161 1 1679 . 2 2 57 57 LEU H H 1 8.182 0.007 . 1 . . . . C 709 LEU H . 34161 1 1680 . 2 2 57 57 LEU HA H 1 4.493 0.011 . 1 . . . . C 709 LEU HA . 34161 1 1681 . 2 2 57 57 LEU HB2 H 1 1.79 0.003 . 2 . . . . C 709 LEU HB2 . 34161 1 1682 . 2 2 57 57 LEU HB3 H 1 1.611 0.005 . 2 . . . . C 709 LEU HB3 . 34161 1 1683 . 2 2 57 57 LEU HD11 H 1 0.914 0.003 . 2 . . . . C 709 LEU HD11 . 34161 1 1684 . 2 2 57 57 LEU HD12 H 1 0.914 0.003 . 2 . . . . C 709 LEU HD12 . 34161 1 1685 . 2 2 57 57 LEU HD13 H 1 0.914 0.003 . 2 . . . . C 709 LEU HD13 . 34161 1 1686 . 2 2 57 57 LEU HD21 H 1 0.866 0 . 2 . . . . C 709 LEU HD21 . 34161 1 1687 . 2 2 57 57 LEU HD22 H 1 0.866 0 . 2 . . . . C 709 LEU HD22 . 34161 1 1688 . 2 2 57 57 LEU HD23 H 1 0.866 0 . 2 . . . . C 709 LEU HD23 . 34161 1 1689 . 2 2 57 57 LEU CA C 13 55.174 0.026 . 1 . . . . C 709 LEU CA . 34161 1 1690 . 2 2 57 57 LEU CB C 13 41.937 0.071 . 1 . . . . C 709 LEU CB . 34161 1 1691 . 2 2 57 57 LEU N N 15 119.282 0.02 . 1 . . . . C 709 LEU N . 34161 1 1692 . 2 2 58 58 GLY H H 1 8.292 0.002 . 1 . . . . C 710 GLY H . 34161 1 1693 . 2 2 58 58 GLY CA C 13 46.454 0 . 1 . . . . C 710 GLY CA . 34161 1 1694 . 2 2 58 58 GLY N N 15 109.444 0.015 . 1 . . . . C 710 GLY N . 34161 1 1695 . 2 2 59 59 HIS HA H 1 4.589 0 . 1 . . . . C 711 HIS HA . 34161 1 1696 . 2 2 59 59 HIS HB2 H 1 3.161 0 . 2 . . . . C 711 HIS HB2 . 34161 1 1697 . 2 2 59 59 HIS HB3 H 1 3.161 0 . 2 . . . . C 711 HIS HB3 . 34161 1 1698 . 2 2 59 59 HIS CB C 13 30.259 0 . 1 . . . . C 711 HIS CB . 34161 1 1699 . 2 2 59 59 HIS N N 15 119.87 0 . 1 . . . . C 711 HIS N . 34161 1 1700 . 2 2 60 60 LEU H H 1 7.899 0.004 . 1 . . . . C 712 LEU H . 34161 1 1701 . 2 2 60 60 LEU HA H 1 4.354 0.004 . 1 . . . . C 712 LEU HA . 34161 1 1702 . 2 2 60 60 LEU HB2 H 1 1.609 0.002 . 2 . . . . C 712 LEU HB2 . 34161 1 1703 . 2 2 60 60 LEU HB3 H 1 1.609 0.002 . 2 . . . . C 712 LEU HB3 . 34161 1 1704 . 2 2 60 60 LEU CA C 13 55.138 0.014 . 1 . . . . C 712 LEU CA . 34161 1 1705 . 2 2 60 60 LEU CB C 13 42.518 0 . 1 . . . . C 712 LEU CB . 34161 1 1706 . 2 2 60 60 LEU N N 15 121.629 0.018 . 1 . . . . C 712 LEU N . 34161 1 1707 . 2 2 61 61 ASN H H 1 8.48 0.005 . 1 . . . . C 713 ASN H . 34161 1 1708 . 2 2 61 61 ASN HA H 1 4.622 0.001 . 1 . . . . C 713 ASN HA . 34161 1 1709 . 2 2 61 61 ASN CA C 13 53.023 0.007 . 1 . . . . C 713 ASN CA . 34161 1 1710 . 2 2 61 61 ASN N N 15 119.361 0.003 . 1 . . . . C 713 ASN N . 34161 1 1711 . 2 2 62 62 LEU H H 1 8.18 0.006 . 1 . . . . C 714 LEU H . 34161 1 1712 . 2 2 62 62 LEU HB2 H 1 1.671 0.002 . 2 . . . . C 714 LEU HB2 . 34161 1 1713 . 2 2 62 62 LEU HB3 H 1 1.671 0.002 . 2 . . . . C 714 LEU HB3 . 34161 1 1714 . 2 2 62 62 LEU HD11 H 1 0.981 0 . 2 . . . . C 714 LEU HD11 . 34161 1 1715 . 2 2 62 62 LEU HD12 H 1 0.981 0 . 2 . . . . C 714 LEU HD12 . 34161 1 1716 . 2 2 62 62 LEU HD13 H 1 0.981 0 . 2 . . . . C 714 LEU HD13 . 34161 1 1717 . 2 2 62 62 LEU HD21 H 1 0.981 0 . 2 . . . . C 714 LEU HD21 . 34161 1 1718 . 2 2 62 62 LEU HD22 H 1 0.981 0 . 2 . . . . C 714 LEU HD22 . 34161 1 1719 . 2 2 62 62 LEU HD23 H 1 0.981 0 . 2 . . . . C 714 LEU HD23 . 34161 1 1720 . 2 2 62 62 LEU CA C 13 55.609 0.026 . 1 . . . . C 714 LEU CA . 34161 1 1721 . 2 2 62 62 LEU CB C 13 42.306 0.016 . 1 . . . . C 714 LEU CB . 34161 1 1722 . 2 2 62 62 LEU N N 15 121.792 0.023 . 1 . . . . C 714 LEU N . 34161 1 1723 . 2 2 63 63 GLY H H 1 8.356 0.001 . 1 . . . . C 715 GLY H . 34161 1 1724 . 2 2 63 63 GLY HA2 H 1 3.937 0 . 2 . . . . C 715 GLY HA2 . 34161 1 1725 . 2 2 63 63 GLY HA3 H 1 3.937 0 . 2 . . . . C 715 GLY HA3 . 34161 1 1726 . 2 2 63 63 GLY CA C 13 45.624 0.01 . 1 . . . . C 715 GLY CA . 34161 1 1727 . 2 2 63 63 GLY N N 15 108.349 0.011 . 1 . . . . C 715 GLY N . 34161 1 1728 . 2 2 64 64 LEU H H 1 7.916 0.002 . 1 . . . . C 716 LEU H . 34161 1 1729 . 2 2 64 64 LEU HB2 H 1 1.656 0.004 . 2 . . . . C 716 LEU HB2 . 34161 1 1730 . 2 2 64 64 LEU HB3 H 1 1.558 0.008 . 2 . . . . C 716 LEU HB3 . 34161 1 1731 . 2 2 64 64 LEU CB C 13 42.202 0.055 . 1 . . . . C 716 LEU CB . 34161 1 1732 . 2 2 64 64 LEU N N 15 120.921 0.015 . 1 . . . . C 716 LEU N . 34161 1 1733 . 2 2 65 65 ASN H H 1 8.369 0.005 . 1 . . . . C 717 ASN H . 34161 1 1734 . 2 2 65 65 ASN HA H 1 4.732 0.004 . 1 . . . . C 717 ASN HA . 34161 1 1735 . 2 2 65 65 ASN HB2 H 1 2.88 0.006 . 2 . . . . C 717 ASN HB2 . 34161 1 1736 . 2 2 65 65 ASN HB3 H 1 2.734 0.005 . 2 . . . . C 717 ASN HB3 . 34161 1 1737 . 2 2 65 65 ASN CA C 13 53.25 0.013 . 1 . . . . C 717 ASN CA . 34161 1 1738 . 2 2 65 65 ASN CB C 13 38.702 0.005 . 1 . . . . C 717 ASN CB . 34161 1 1739 . 2 2 65 65 ASN N N 15 118.897 0.012 . 1 . . . . C 717 ASN N . 34161 1 1740 . 2 2 66 66 LEU H H 1 8.222 0.003 . 1 . . . . C 718 LEU H . 34161 1 1741 . 2 2 66 66 LEU HA H 1 4.394 0.001 . 1 . . . . C 718 LEU HA . 34161 1 1742 . 2 2 66 66 LEU HB2 H 1 1.654 0.001 . 2 . . . . C 718 LEU HB2 . 34161 1 1743 . 2 2 66 66 LEU HB3 H 1 1.654 0.001 . 2 . . . . C 718 LEU HB3 . 34161 1 1744 . 2 2 66 66 LEU CA C 13 55.243 0.003 . 1 . . . . C 718 LEU CA . 34161 1 1745 . 2 2 66 66 LEU CB C 13 42.289 0 . 1 . . . . C 718 LEU CB . 34161 1 1746 . 2 2 66 66 LEU N N 15 122.669 0.011 . 1 . . . . C 718 LEU N . 34161 1 1747 . 2 2 67 67 SER H H 1 8.277 0 . 1 . . . . C 719 SER H . 34161 1 1748 . 2 2 67 67 SER N N 15 116.153 0 . 1 . . . . C 719 SER N . 34161 1 1749 . 2 2 68 68 GLU HA H 1 4.366 0.003 . 1 . . . . C 720 GLU HA . 34161 1 1750 . 2 2 68 68 GLU HB2 H 1 2.107 0.007 . 2 . . . . C 720 GLU HB2 . 34161 1 1751 . 2 2 68 68 GLU HB3 H 1 1.969 0.01 . 2 . . . . C 720 GLU HB3 . 34161 1 1752 . 2 2 68 68 GLU CA C 13 56.66 0 . 1 . . . . C 720 GLU CA . 34161 1 1753 . 2 2 68 68 GLU CB C 13 30.378 0.019 . 1 . . . . C 720 GLU CB . 34161 1 1754 . 2 2 69 69 GLY CA C 13 45.313 0 . 1 . . . . C 721 GLY CA . 34161 1 1755 . 2 2 70 70 ASP H H 1 8.009 0 . 1 . . . . C 722 ASP H . 34161 1 1756 . 2 2 70 70 ASP HB2 H 1 2.856 0 . 2 . . . . C 722 ASP HB2 . 34161 1 1757 . 2 2 70 70 ASP HB3 H 1 2.745 0 . 2 . . . . C 722 ASP HB3 . 34161 1 1758 . 2 2 70 70 ASP CB C 13 40.928 0.008 . 1 . . . . C 722 ASP CB . 34161 1 1759 . 2 2 70 70 ASP N N 15 124.191 0 . 1 . . . . C 722 ASP N . 34161 1 1760 . 2 2 71 71 GLY HA2 H 1 4.006 0.003 . 2 . . . . C 723 GLY HA2 . 34161 1 1761 . 2 2 71 71 GLY HA3 H 1 4.006 0.003 . 2 . . . . C 723 GLY HA3 . 34161 1 1762 . 2 2 71 71 GLY CA C 13 45.441 0.014 . 1 . . . . C 723 GLY CA . 34161 1 1763 . 2 2 72 72 GLU H H 1 8.242 0 . 1 . . . . C 724 GLU H . 34161 1 1764 . 2 2 72 72 GLU N N 15 120.91 0 . 1 . . . . C 724 GLU N . 34161 1 1765 . 2 2 73 73 GLU H H 1 8.062 0 . 1 . . . . C 725 GLU H . 34161 1 1766 . 2 2 73 73 GLU N N 15 127.109 0 . 1 . . . . C 725 GLU N . 34161 1 stop_ save_