data_30063 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30063 _Entry.Title ; Structure of calmodulin in a complex with a peptide derived from a calmodulin-dependent kinase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-04-07 _Entry.Accession_date 2016-04-07 _Entry.Last_release_date 2016-09-01 _Entry.Original_release_date 2016-09-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 S. Alphonse S. . . . 30063 2 K. Lee K. . . . 30063 3 A. Piserchio A. . . . 30063 4 C. Tavares C. D.J. . . 30063 5 D. Giles D. H. . . 30063 6 R. Wellmann R. M. . . 30063 7 K. Dalby K. N. . . 30063 8 R. Ghose R. . . . 30063 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Calmodulin eEF2K complex kinase' . 30063 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 30063 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 737 30063 '15N chemical shifts' 183 30063 '1H chemical shifts' 1125 30063 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-09-01 . original BMRB . 30063 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5J8H 'BMRB Entry Tracking System' 30063 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30063 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27499441 _Citation.Full_citation . _Citation.Title ; Structural Basis for the Recognition of Eukaryotic Elongation Factor 2 Kinase by Calmodulin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 1441 _Citation.Page_last 1451 _Citation.Year 2016 _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 K. Lee K. . . . 30063 1 2 S. Alphonse S. . . . 30063 1 3 A. Piserchio A. . . . 30063 1 4 C. Tavares C. D.J. . . 30063 1 5 D. Giles D. H. . . 30063 1 6 R. Wellmann R. M. . . 30063 1 7 K. Dalby K. N. . . 30063 1 8 R. Ghose R. . . . 30063 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30063 _Assembly.ID 1 _Assembly.Name 'Calmodulin, Eukaryotic elongation factor 2 kinase (E.C.2.7.11.20)' _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 . . . . . . 30063 1 2 entity_2 2 $entity_2 B B yes . . . . . . 30063 1 3 'CALCIUM ION' 3 $entity_CA C C no . . . . . . 30063 1 4 'CALCIUM ION' 3 $entity_CA D D no . . . . . . 30063 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30063 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Calmodulin _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 ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; _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 148 _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 . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16721.350 _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 CaM na 30063 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 30063 1 2 2 ASP . 30063 1 3 3 GLN . 30063 1 4 4 LEU . 30063 1 5 5 THR . 30063 1 6 6 GLU . 30063 1 7 7 GLU . 30063 1 8 8 GLN . 30063 1 9 9 ILE . 30063 1 10 10 ALA . 30063 1 11 11 GLU . 30063 1 12 12 PHE . 30063 1 13 13 LYS . 30063 1 14 14 GLU . 30063 1 15 15 ALA . 30063 1 16 16 PHE . 30063 1 17 17 SER . 30063 1 18 18 LEU . 30063 1 19 19 PHE . 30063 1 20 20 ASP . 30063 1 21 21 LYS . 30063 1 22 22 ASP . 30063 1 23 23 GLY . 30063 1 24 24 ASP . 30063 1 25 25 GLY . 30063 1 26 26 THR . 30063 1 27 27 ILE . 30063 1 28 28 THR . 30063 1 29 29 THR . 30063 1 30 30 LYS . 30063 1 31 31 GLU . 30063 1 32 32 LEU . 30063 1 33 33 GLY . 30063 1 34 34 THR . 30063 1 35 35 VAL . 30063 1 36 36 MET . 30063 1 37 37 ARG . 30063 1 38 38 SER . 30063 1 39 39 LEU . 30063 1 40 40 GLY . 30063 1 41 41 GLN . 30063 1 42 42 ASN . 30063 1 43 43 PRO . 30063 1 44 44 THR . 30063 1 45 45 GLU . 30063 1 46 46 ALA . 30063 1 47 47 GLU . 30063 1 48 48 LEU . 30063 1 49 49 GLN . 30063 1 50 50 ASP . 30063 1 51 51 MET . 30063 1 52 52 ILE . 30063 1 53 53 ASN . 30063 1 54 54 GLU . 30063 1 55 55 VAL . 30063 1 56 56 ASP . 30063 1 57 57 ALA . 30063 1 58 58 ASP . 30063 1 59 59 GLY . 30063 1 60 60 ASN . 30063 1 61 61 GLY . 30063 1 62 62 THR . 30063 1 63 63 ILE . 30063 1 64 64 ASP . 30063 1 65 65 PHE . 30063 1 66 66 PRO . 30063 1 67 67 GLU . 30063 1 68 68 PHE . 30063 1 69 69 LEU . 30063 1 70 70 THR . 30063 1 71 71 MET . 30063 1 72 72 MET . 30063 1 73 73 ALA . 30063 1 74 74 ARG . 30063 1 75 75 LYS . 30063 1 76 76 MET . 30063 1 77 77 LYS . 30063 1 78 78 ASP . 30063 1 79 79 THR . 30063 1 80 80 ASP . 30063 1 81 81 SER . 30063 1 82 82 GLU . 30063 1 83 83 GLU . 30063 1 84 84 GLU . 30063 1 85 85 ILE . 30063 1 86 86 ARG . 30063 1 87 87 GLU . 30063 1 88 88 ALA . 30063 1 89 89 PHE . 30063 1 90 90 ARG . 30063 1 91 91 VAL . 30063 1 92 92 PHE . 30063 1 93 93 ASP . 30063 1 94 94 LYS . 30063 1 95 95 ASP . 30063 1 96 96 GLY . 30063 1 97 97 ASN . 30063 1 98 98 GLY . 30063 1 99 99 TYR . 30063 1 100 100 ILE . 30063 1 101 101 SER . 30063 1 102 102 ALA . 30063 1 103 103 ALA . 30063 1 104 104 GLU . 30063 1 105 105 LEU . 30063 1 106 106 ARG . 30063 1 107 107 HIS . 30063 1 108 108 VAL . 30063 1 109 109 MET . 30063 1 110 110 THR . 30063 1 111 111 ASN . 30063 1 112 112 LEU . 30063 1 113 113 GLY . 30063 1 114 114 GLU . 30063 1 115 115 LYS . 30063 1 116 116 LEU . 30063 1 117 117 THR . 30063 1 118 118 ASP . 30063 1 119 119 GLU . 30063 1 120 120 GLU . 30063 1 121 121 VAL . 30063 1 122 122 ASP . 30063 1 123 123 GLU . 30063 1 124 124 MET . 30063 1 125 125 ILE . 30063 1 126 126 ARG . 30063 1 127 127 GLU . 30063 1 128 128 ALA . 30063 1 129 129 ASP . 30063 1 130 130 ILE . 30063 1 131 131 ASP . 30063 1 132 132 GLY . 30063 1 133 133 ASP . 30063 1 134 134 GLY . 30063 1 135 135 GLN . 30063 1 136 136 VAL . 30063 1 137 137 ASN . 30063 1 138 138 TYR . 30063 1 139 139 GLU . 30063 1 140 140 GLU . 30063 1 141 141 PHE . 30063 1 142 142 VAL . 30063 1 143 143 GLN . 30063 1 144 144 MET . 30063 1 145 145 MET . 30063 1 146 146 THR . 30063 1 147 147 ALA . 30063 1 148 148 LYS . 30063 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 30063 1 . ASP 2 2 30063 1 . GLN 3 3 30063 1 . LEU 4 4 30063 1 . THR 5 5 30063 1 . GLU 6 6 30063 1 . GLU 7 7 30063 1 . GLN 8 8 30063 1 . ILE 9 9 30063 1 . ALA 10 10 30063 1 . GLU 11 11 30063 1 . PHE 12 12 30063 1 . LYS 13 13 30063 1 . GLU 14 14 30063 1 . ALA 15 15 30063 1 . PHE 16 16 30063 1 . SER 17 17 30063 1 . LEU 18 18 30063 1 . PHE 19 19 30063 1 . ASP 20 20 30063 1 . LYS 21 21 30063 1 . ASP 22 22 30063 1 . GLY 23 23 30063 1 . ASP 24 24 30063 1 . GLY 25 25 30063 1 . THR 26 26 30063 1 . ILE 27 27 30063 1 . THR 28 28 30063 1 . THR 29 29 30063 1 . LYS 30 30 30063 1 . GLU 31 31 30063 1 . LEU 32 32 30063 1 . GLY 33 33 30063 1 . THR 34 34 30063 1 . VAL 35 35 30063 1 . MET 36 36 30063 1 . ARG 37 37 30063 1 . SER 38 38 30063 1 . LEU 39 39 30063 1 . GLY 40 40 30063 1 . GLN 41 41 30063 1 . ASN 42 42 30063 1 . PRO 43 43 30063 1 . THR 44 44 30063 1 . GLU 45 45 30063 1 . ALA 46 46 30063 1 . GLU 47 47 30063 1 . LEU 48 48 30063 1 . GLN 49 49 30063 1 . ASP 50 50 30063 1 . MET 51 51 30063 1 . ILE 52 52 30063 1 . ASN 53 53 30063 1 . GLU 54 54 30063 1 . VAL 55 55 30063 1 . ASP 56 56 30063 1 . ALA 57 57 30063 1 . ASP 58 58 30063 1 . GLY 59 59 30063 1 . ASN 60 60 30063 1 . GLY 61 61 30063 1 . THR 62 62 30063 1 . ILE 63 63 30063 1 . ASP 64 64 30063 1 . PHE 65 65 30063 1 . PRO 66 66 30063 1 . GLU 67 67 30063 1 . PHE 68 68 30063 1 . LEU 69 69 30063 1 . THR 70 70 30063 1 . MET 71 71 30063 1 . MET 72 72 30063 1 . ALA 73 73 30063 1 . ARG 74 74 30063 1 . LYS 75 75 30063 1 . MET 76 76 30063 1 . LYS 77 77 30063 1 . ASP 78 78 30063 1 . THR 79 79 30063 1 . ASP 80 80 30063 1 . SER 81 81 30063 1 . GLU 82 82 30063 1 . GLU 83 83 30063 1 . GLU 84 84 30063 1 . ILE 85 85 30063 1 . ARG 86 86 30063 1 . GLU 87 87 30063 1 . ALA 88 88 30063 1 . PHE 89 89 30063 1 . ARG 90 90 30063 1 . VAL 91 91 30063 1 . PHE 92 92 30063 1 . ASP 93 93 30063 1 . LYS 94 94 30063 1 . ASP 95 95 30063 1 . GLY 96 96 30063 1 . ASN 97 97 30063 1 . GLY 98 98 30063 1 . TYR 99 99 30063 1 . ILE 100 100 30063 1 . SER 101 101 30063 1 . ALA 102 102 30063 1 . ALA 103 103 30063 1 . GLU 104 104 30063 1 . LEU 105 105 30063 1 . ARG 106 106 30063 1 . HIS 107 107 30063 1 . VAL 108 108 30063 1 . MET 109 109 30063 1 . THR 110 110 30063 1 . ASN 111 111 30063 1 . LEU 112 112 30063 1 . GLY 113 113 30063 1 . GLU 114 114 30063 1 . LYS 115 115 30063 1 . LEU 116 116 30063 1 . THR 117 117 30063 1 . ASP 118 118 30063 1 . GLU 119 119 30063 1 . GLU 120 120 30063 1 . VAL 121 121 30063 1 . ASP 122 122 30063 1 . GLU 123 123 30063 1 . MET 124 124 30063 1 . ILE 125 125 30063 1 . ARG 126 126 30063 1 . GLU 127 127 30063 1 . ALA 128 128 30063 1 . ASP 129 129 30063 1 . ILE 130 130 30063 1 . ASP 131 131 30063 1 . GLY 132 132 30063 1 . ASP 133 133 30063 1 . GLY 134 134 30063 1 . GLN 135 135 30063 1 . VAL 136 136 30063 1 . ASN 137 137 30063 1 . TYR 138 138 30063 1 . GLU 139 139 30063 1 . GLU 140 140 30063 1 . PHE 141 141 30063 1 . VAL 142 142 30063 1 . GLN 143 143 30063 1 . MET 144 144 30063 1 . MET 145 145 30063 1 . THR 146 146 30063 1 . ALA 147 147 30063 1 . LYS 148 148 30063 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 30063 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Eukaryotic elongation factor 2 kinase' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SPANSFHFKEAWKHAIQKAK HMPDPWA ; _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 27 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment 'residues 74-100' _Entity.Mutation . _Entity.EC_number 2.7.11.20 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3167.618 _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/calmodulin-dependent eukaryotic elongation factor 2 kinase' na 30063 2 eEF-2K na 30063 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 74 SER . 30063 2 2 75 PRO . 30063 2 3 76 ALA . 30063 2 4 77 ASN . 30063 2 5 78 SER . 30063 2 6 79 PHE . 30063 2 7 80 HIS . 30063 2 8 81 PHE . 30063 2 9 82 LYS . 30063 2 10 83 GLU . 30063 2 11 84 ALA . 30063 2 12 85 TRP . 30063 2 13 86 LYS . 30063 2 14 87 HIS . 30063 2 15 88 ALA . 30063 2 16 89 ILE . 30063 2 17 90 GLN . 30063 2 18 91 LYS . 30063 2 19 92 ALA . 30063 2 20 93 LYS . 30063 2 21 94 HIS . 30063 2 22 95 MET . 30063 2 23 96 PRO . 30063 2 24 97 ASP . 30063 2 25 98 PRO . 30063 2 26 99 TRP . 30063 2 27 100 ALA . 30063 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 . SER 1 1 30063 2 . PRO 2 2 30063 2 . ALA 3 3 30063 2 . ASN 4 4 30063 2 . SER 5 5 30063 2 . PHE 6 6 30063 2 . HIS 7 7 30063 2 . PHE 8 8 30063 2 . LYS 9 9 30063 2 . GLU 10 10 30063 2 . ALA 11 11 30063 2 . TRP 12 12 30063 2 . LYS 13 13 30063 2 . HIS 14 14 30063 2 . ALA 15 15 30063 2 . ILE 16 16 30063 2 . GLN 17 17 30063 2 . LYS 18 18 30063 2 . ALA 19 19 30063 2 . LYS 20 20 30063 2 . HIS 21 21 30063 2 . MET 22 22 30063 2 . PRO 23 23 30063 2 . ASP 24 24 30063 2 . PRO 25 25 30063 2 . TRP 26 26 30063 2 . ALA 27 27 30063 2 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 30063 _Entity.ID 3 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _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 . _Entity.Nonpolymer_comp_label . _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 30063 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 30063 3 CA 'Three letter code' 30063 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 30063 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 30063 _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 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'CALM1, CALM, CAM, CAM1, CALM2, CAM2, CAMB, CALM3, CALML2, CAM3, CAMC, CAMIII' . 30063 1 2 2 $entity_2 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . EEF2K . 30063 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 30063 _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' . pET28b-His-SUMO-CaM 469008 Escherichia coli BL21DE3 . . plasmid . . pET28b . . . 30063 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . pET28b-His-SUMO-CBD 469008 Escherichia coli BL21DE3 . . plasmid . . pET28b . . . 30063 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 30063 _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.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 30063 CA InChI=1S/Ca/q+2 InChI InChI 1.03 30063 CA [Ca++] SMILES CACTVS 3.341 30063 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 30063 CA [Ca+2] SMILES ACDLabs 10.04 30063 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 30063 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30063 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 30063 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30063 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 . 30063 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30063 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '320 uM [U-99% 13C; U-99% 15N] Calmodulin, 320 uM eEF2K_74-100, 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 . . 320 . . uM 10 . . . 30063 1 2 eEF2K_74-100 'natural abundance' . . 2 $entity_2 . . 320 . . uM 10 . . . 30063 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 30063 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 30063 1 5 BisTris 'natural abundance' . . . . . . 20 . . mM . . . . 30063 1 6 'Potassium Chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 30063 1 7 'Calcium Chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 30063 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30063 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '595 uM [U-99% 13C; U-99% 15N] eEF2K_74-100, 595 uM Calmodulin, 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 'natural abundance' . . 1 $entity_1 . . 595 . . uM 10 . . . 30063 2 2 eEF2K_74-100 '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 595 . . uM 10 . . . 30063 2 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 30063 2 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 30063 2 5 BisTris 'natural abundance' . . . . . . 20 . . mM . . . . 30063 2 6 'Potassium Chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 30063 2 7 'Calcium Chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 30063 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30063 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '320 uM [U-99% 13C; U-99% 15N] Calmodulin, 320 uM eEF2K_74-100, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 . . 320 . . uM . . . . 30063 3 2 eEF2K_74-100 'natural abundance' . . 2 $entity_2 . . 320 . . uM . . . . 30063 3 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 30063 3 4 BisTris 'natural abundance' . . . . . . 20 . . mM . . . . 30063 3 5 'Potassium Chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 30063 3 6 'Calcium Chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 30063 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30063 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '320 uM [U-99% 13C; U-99% 15N] eEF2K_74-100, 320 uM Calmodulin, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'natural abundance' . . 1 $entity_1 . . 320 . . uM . . . . 30063 4 2 eEF2K_74-100 '[U-99% 13C; U-99% 15N]' . . 2 $entity_2 . . 320 . . uM . . . . 30063 4 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 30063 4 4 BisTris 'natural abundance' . . . . . . 20 . . mM . . . . 30063 4 5 'Potassium Chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 30063 4 6 'Calcium Chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 30063 4 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 30063 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.2 pH 30063 1 pressure 1 . atm 30063 1 temperature 308.15 0.1 K 30063 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30063 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.2 pH 30063 2 pressure 1 . atm 30063 2 temperature 308.15 . K 30063 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 30063 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pD 30063 3 pressure 1 . atm 30063 3 temperature 308.15 . K 30063 3 stop_ save_ save_sample_conditions_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_4 _Sample_condition_list.Entry_ID 30063 _Sample_condition_list.ID 4 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pD 30063 4 pressure 1 . atm 30063 4 temperature 308.15 . K 30063 4 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30063 _Software.ID 1 _Software.Name ARIA _Software.Version 2.3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 30063 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30063 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30063 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30063 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30063 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30063 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30063 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30063 3 'peak picking' 30063 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30063 _Software.ID 4 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30063 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30063 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30063 _Software.ID 5 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 30063 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30063 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30063 _Software.ID 6 _Software.Name Xplor_NIH _Software.Version 2.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'NIH; C.D. Schwieters, J.J. Kuszewski, N. Tjandra and G.M. Clore' . . 30063 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30063 6 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 30063 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30063 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 30063 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 30063 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 30063 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 30063 _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 Avance . 800 . . . 30063 1 2 NMR_spectrometer_2 Bruker Avance . 600 . . . 30063 1 3 NMR_spectrometer_3 Bruker Avance . 900 . . . 30063 1 4 NMR_spectrometer_4 Varian INOVA . 600 . . . 30063 1 5 NMR_spectrometer_5 Bruker Avance . 500 . . . 30063 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 30063 _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 HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30063 1 2 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30063 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30063 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30063 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 30063 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30063 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30063 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30063 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30063 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30063 1 11 '3D 1H-13C NOESY aliphatic 13C-filtered' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30063 1 12 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 30063 1 13 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30063 1 14 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30063 1 15 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30063 1 16 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30063 1 17 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 4 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . 30063 1 18 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30063 1 19 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30063 1 20 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 5 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . 30063 1 21 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30063 1 22 '3D 1H-13C NOESY aliphatic 13C filtered' no . . . . . . . . . . 4 $sample_4 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30063 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 30063 _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 water protons . . . . ppm 4.67 internal indirect 0.25144953 . . . . . 30063 1 H 1 water protons . . . . ppm 4.67 internal direct 1.0 . . . . . 30063 1 N 15 water protons . . . . ppm 4.67 internal indirect 0.10132912 . . . . . 30063 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 30063 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 30063 1 2 '3D HN(CA)CO' . . . 30063 1 3 '3D CBCA(CO)NH' . . . 30063 1 4 '3D HNCACB' . . . 30063 1 5 '3D H(CCO)NH' . . . 30063 1 6 '3D C(CO)NH' . . . 30063 1 7 '3D HCCH-TOCSY' . . . 30063 1 8 '3D 1H-15N NOESY' . . . 30063 1 9 '3D 1H-13C NOESY aliphatic' . . . 30063 1 10 '3D 1H-13C NOESY aromatic' . . . 30063 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 30063 1 3 $software_3 . . 30063 1 5 $software_5 . . 30063 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP HA H 1 4.618 0.02 . 1 . . . A 2 ASP HA . 30063 1 2 . 1 1 2 2 ASP HB2 H 1 2.535 0.02 . 2 . . . A 2 ASP HB2 . 30063 1 3 . 1 1 2 2 ASP HB3 H 1 2.669 0.02 . 2 . . . A 2 ASP HB3 . 30063 1 4 . 1 1 2 2 ASP C C 13 175.603 0.30 . 1 . . . A 2 ASP C . 30063 1 5 . 1 1 2 2 ASP CA C 13 54.863 0.30 . 1 . . . A 2 ASP CA . 30063 1 6 . 1 1 2 2 ASP CB C 13 41.501 0.30 . 1 . . . A 2 ASP CB . 30063 1 7 . 1 1 3 3 GLN H H 1 8.296 0.02 . 1 . . . A 3 GLN H . 30063 1 8 . 1 1 3 3 GLN HA H 1 4.356 0.02 . 1 . . . A 3 GLN HA . 30063 1 9 . 1 1 3 3 GLN HB2 H 1 2.073 0.02 . 2 . . . A 3 GLN HB2 . 30063 1 10 . 1 1 3 3 GLN HB3 H 1 1.953 0.02 . 2 . . . A 3 GLN HB3 . 30063 1 11 . 1 1 3 3 GLN HG2 H 1 2.328 0.02 . 2 . . . A 3 GLN HG2 . 30063 1 12 . 1 1 3 3 GLN HE21 H 1 7.385 0.02 . 1 . . . A 3 GLN HE21 . 30063 1 13 . 1 1 3 3 GLN HE22 H 1 6.710 0.02 . 1 . . . A 3 GLN HE22 . 30063 1 14 . 1 1 3 3 GLN C C 13 175.580 0.30 . 1 . . . A 3 GLN C . 30063 1 15 . 1 1 3 3 GLN CA C 13 55.670 0.30 . 1 . . . A 3 GLN CA . 30063 1 16 . 1 1 3 3 GLN CB C 13 29.917 0.30 . 1 . . . A 3 GLN CB . 30063 1 17 . 1 1 3 3 GLN CG C 13 33.757 0.30 . 1 . . . A 3 GLN CG . 30063 1 18 . 1 1 3 3 GLN CD C 13 180.649 0.30 . 1 . . . A 3 GLN CD . 30063 1 19 . 1 1 3 3 GLN N N 15 119.389 0.30 . 1 . . . A 3 GLN N . 30063 1 20 . 1 1 3 3 GLN NE2 N 15 111.171 0.30 . 1 . . . A 3 GLN NE2 . 30063 1 21 . 1 1 4 4 LEU H H 1 8.213 0.02 . 1 . . . A 4 LEU H . 30063 1 22 . 1 1 4 4 LEU HA H 1 4.645 0.02 . 1 . . . A 4 LEU HA . 30063 1 23 . 1 1 4 4 LEU HB2 H 1 1.489 0.02 . 2 . . . A 4 LEU HB2 . 30063 1 24 . 1 1 4 4 LEU HB3 H 1 1.711 0.02 . 2 . . . A 4 LEU HB3 . 30063 1 25 . 1 1 4 4 LEU HG H 1 1.711 0.02 . 1 . . . A 4 LEU HG . 30063 1 26 . 1 1 4 4 LEU HD11 H 1 0.905 0.02 . 2 . . . A 4 LEU HD11 . 30063 1 27 . 1 1 4 4 LEU HD12 H 1 0.905 0.02 . 2 . . . A 4 LEU HD12 . 30063 1 28 . 1 1 4 4 LEU HD13 H 1 0.905 0.02 . 2 . . . A 4 LEU HD13 . 30063 1 29 . 1 1 4 4 LEU HD21 H 1 0.924 0.02 . 2 . . . A 4 LEU HD21 . 30063 1 30 . 1 1 4 4 LEU HD22 H 1 0.924 0.02 . 2 . . . A 4 LEU HD22 . 30063 1 31 . 1 1 4 4 LEU HD23 H 1 0.924 0.02 . 2 . . . A 4 LEU HD23 . 30063 1 32 . 1 1 4 4 LEU C C 13 177.601 0.30 . 1 . . . A 4 LEU C . 30063 1 33 . 1 1 4 4 LEU CA C 13 54.620 0.30 . 1 . . . A 4 LEU CA . 30063 1 34 . 1 1 4 4 LEU CB C 13 43.641 0.30 . 1 . . . A 4 LEU CB . 30063 1 35 . 1 1 4 4 LEU CG C 13 27.290 0.30 . 1 . . . A 4 LEU CG . 30063 1 36 . 1 1 4 4 LEU CD1 C 13 23.853 0.30 . 2 . . . A 4 LEU CD1 . 30063 1 37 . 1 1 4 4 LEU CD2 C 13 26.904 0.30 . 2 . . . A 4 LEU CD2 . 30063 1 38 . 1 1 4 4 LEU N N 15 123.048 0.30 . 1 . . . A 4 LEU N . 30063 1 39 . 1 1 5 5 THR H H 1 8.643 0.02 . 1 . . . A 5 THR H . 30063 1 40 . 1 1 5 5 THR HA H 1 4.447 0.02 . 1 . . . A 5 THR HA . 30063 1 41 . 1 1 5 5 THR HB H 1 4.643 0.02 . 1 . . . A 5 THR HB . 30063 1 42 . 1 1 5 5 THR HG21 H 1 1.312 0.02 . 1 . . . A 5 THR HG21 . 30063 1 43 . 1 1 5 5 THR HG22 H 1 1.312 0.02 . 1 . . . A 5 THR HG22 . 30063 1 44 . 1 1 5 5 THR HG23 H 1 1.312 0.02 . 1 . . . A 5 THR HG23 . 30063 1 45 . 1 1 5 5 THR C C 13 175.487 0.30 . 1 . . . A 5 THR C . 30063 1 46 . 1 1 5 5 THR CA C 13 60.463 0.30 . 1 . . . A 5 THR CA . 30063 1 47 . 1 1 5 5 THR CB C 13 71.228 0.30 . 1 . . . A 5 THR CB . 30063 1 48 . 1 1 5 5 THR CG2 C 13 21.869 0.30 . 1 . . . A 5 THR CG2 . 30063 1 49 . 1 1 5 5 THR N N 15 112.976 0.30 . 1 . . . A 5 THR N . 30063 1 50 . 1 1 6 6 GLU H H 1 8.975 0.02 . 1 . . . A 6 GLU H . 30063 1 51 . 1 1 6 6 GLU HA H 1 3.960 0.02 . 1 . . . A 6 GLU HA . 30063 1 52 . 1 1 6 6 GLU HB2 H 1 2.033 0.02 . 2 . . . A 6 GLU HB2 . 30063 1 53 . 1 1 6 6 GLU HB3 H 1 2.034 0.02 . 2 . . . A 6 GLU HB3 . 30063 1 54 . 1 1 6 6 GLU HG2 H 1 2.385 0.02 . 2 . . . A 6 GLU HG2 . 30063 1 55 . 1 1 6 6 GLU HG3 H 1 2.324 0.02 . 2 . . . A 6 GLU HG3 . 30063 1 56 . 1 1 6 6 GLU C C 13 179.443 0.30 . 1 . . . A 6 GLU C . 30063 1 57 . 1 1 6 6 GLU CA C 13 60.178 0.30 . 1 . . . A 6 GLU CA . 30063 1 58 . 1 1 6 6 GLU CB C 13 29.239 0.30 . 1 . . . A 6 GLU CB . 30063 1 59 . 1 1 6 6 GLU CG C 13 36.561 0.30 . 1 . . . A 6 GLU CG . 30063 1 60 . 1 1 6 6 GLU N N 15 120.504 0.30 . 1 . . . A 6 GLU N . 30063 1 61 . 1 1 7 7 GLU H H 1 8.662 0.02 . 1 . . . A 7 GLU H . 30063 1 62 . 1 1 7 7 GLU HA H 1 4.049 0.02 . 1 . . . A 7 GLU HA . 30063 1 63 . 1 1 7 7 GLU HB2 H 1 2.026 0.02 . 2 . . . A 7 GLU HB2 . 30063 1 64 . 1 1 7 7 GLU HB3 H 1 1.934 0.02 . 2 . . . A 7 GLU HB3 . 30063 1 65 . 1 1 7 7 GLU HG2 H 1 2.348 0.02 . 2 . . . A 7 GLU HG2 . 30063 1 66 . 1 1 7 7 GLU HG3 H 1 2.273 0.02 . 2 . . . A 7 GLU HG3 . 30063 1 67 . 1 1 7 7 GLU C C 13 179.117 0.30 . 1 . . . A 7 GLU C . 30063 1 68 . 1 1 7 7 GLU CA C 13 60.186 0.30 . 1 . . . A 7 GLU CA . 30063 1 69 . 1 1 7 7 GLU CB C 13 29.023 0.30 . 1 . . . A 7 GLU CB . 30063 1 70 . 1 1 7 7 GLU CG C 13 36.842 0.30 . 1 . . . A 7 GLU CG . 30063 1 71 . 1 1 7 7 GLU N N 15 119.417 0.30 . 1 . . . A 7 GLU N . 30063 1 72 . 1 1 8 8 GLN H H 1 7.675 0.02 . 1 . . . A 8 GLN H . 30063 1 73 . 1 1 8 8 GLN HA H 1 4.046 0.02 . 1 . . . A 8 GLN HA . 30063 1 74 . 1 1 8 8 GLN HB2 H 1 2.032 0.02 . 2 . . . A 8 GLN HB2 . 30063 1 75 . 1 1 8 8 GLN HB3 H 1 1.925 0.02 . 2 . . . A 8 GLN HB3 . 30063 1 76 . 1 1 8 8 GLN HG2 H 1 2.316 0.02 . 2 . . . A 8 GLN HG2 . 30063 1 77 . 1 1 8 8 GLN HG3 H 1 2.314 0.02 . 2 . . . A 8 GLN HG3 . 30063 1 78 . 1 1 8 8 GLN HE21 H 1 6.708 0.02 . 1 . . . A 8 GLN HE21 . 30063 1 79 . 1 1 8 8 GLN HE22 H 1 7.282 0.02 . 1 . . . A 8 GLN HE22 . 30063 1 80 . 1 1 8 8 GLN C C 13 178.154 0.30 . 1 . . . A 8 GLN C . 30063 1 81 . 1 1 8 8 GLN CA C 13 58.753 0.30 . 1 . . . A 8 GLN CA . 30063 1 82 . 1 1 8 8 GLN CB C 13 29.240 0.30 . 1 . . . A 8 GLN CB . 30063 1 83 . 1 1 8 8 GLN CG C 13 36.473 0.30 . 1 . . . A 8 GLN CG . 30063 1 84 . 1 1 8 8 GLN N N 15 120.273 0.30 . 1 . . . A 8 GLN N . 30063 1 85 . 1 1 8 8 GLN NE2 N 15 111.164 0.30 . 1 . . . A 8 GLN NE2 . 30063 1 86 . 1 1 9 9 ILE H H 1 8.311 0.02 . 1 . . . A 9 ILE H . 30063 1 87 . 1 1 9 9 ILE HA H 1 3.656 0.02 . 1 . . . A 9 ILE HA . 30063 1 88 . 1 1 9 9 ILE HB H 1 1.932 0.02 . 1 . . . A 9 ILE HB . 30063 1 89 . 1 1 9 9 ILE HG12 H 1 1.787 0.02 . 2 . . . A 9 ILE HG12 . 30063 1 90 . 1 1 9 9 ILE HG13 H 1 1.077 0.02 . 2 . . . A 9 ILE HG13 . 30063 1 91 . 1 1 9 9 ILE HG21 H 1 1.100 0.02 . 1 . . . A 9 ILE HG21 . 30063 1 92 . 1 1 9 9 ILE HG22 H 1 1.100 0.02 . 1 . . . A 9 ILE HG22 . 30063 1 93 . 1 1 9 9 ILE HG23 H 1 1.100 0.02 . 1 . . . A 9 ILE HG23 . 30063 1 94 . 1 1 9 9 ILE HD11 H 1 0.851 0.02 . 1 . . . A 9 ILE HD11 . 30063 1 95 . 1 1 9 9 ILE HD12 H 1 0.851 0.02 . 1 . . . A 9 ILE HD12 . 30063 1 96 . 1 1 9 9 ILE HD13 H 1 0.851 0.02 . 1 . . . A 9 ILE HD13 . 30063 1 97 . 1 1 9 9 ILE C C 13 177.797 0.30 . 1 . . . A 9 ILE C . 30063 1 98 . 1 1 9 9 ILE CA C 13 66.259 0.30 . 1 . . . A 9 ILE CA . 30063 1 99 . 1 1 9 9 ILE CB C 13 37.895 0.30 . 1 . . . A 9 ILE CB . 30063 1 100 . 1 1 9 9 ILE CG1 C 13 30.328 0.30 . 1 . . . A 9 ILE CG1 . 30063 1 101 . 1 1 9 9 ILE CG2 C 13 17.545 0.30 . 1 . . . A 9 ILE CG2 . 30063 1 102 . 1 1 9 9 ILE CD1 C 13 12.945 0.30 . 1 . . . A 9 ILE CD1 . 30063 1 103 . 1 1 9 9 ILE N N 15 119.389 0.30 . 1 . . . A 9 ILE N . 30063 1 104 . 1 1 10 10 ALA H H 1 7.975 0.02 . 1 . . . A 10 ALA H . 30063 1 105 . 1 1 10 10 ALA HA H 1 4.099 0.02 . 1 . . . A 10 ALA HA . 30063 1 106 . 1 1 10 10 ALA HB1 H 1 1.514 0.02 . 1 . . . A 10 ALA HB1 . 30063 1 107 . 1 1 10 10 ALA HB2 H 1 1.514 0.02 . 1 . . . A 10 ALA HB2 . 30063 1 108 . 1 1 10 10 ALA HB3 H 1 1.514 0.02 . 1 . . . A 10 ALA HB3 . 30063 1 109 . 1 1 10 10 ALA C C 13 180.985 0.30 . 1 . . . A 10 ALA C . 30063 1 110 . 1 1 10 10 ALA CA C 13 55.543 0.30 . 1 . . . A 10 ALA CA . 30063 1 111 . 1 1 10 10 ALA CB C 13 17.945 0.30 . 1 . . . A 10 ALA CB . 30063 1 112 . 1 1 10 10 ALA N N 15 121.215 0.30 . 1 . . . A 10 ALA N . 30063 1 113 . 1 1 11 11 GLU H H 1 7.746 0.02 . 1 . . . A 11 GLU H . 30063 1 114 . 1 1 11 11 GLU HA H 1 4.124 0.02 . 1 . . . A 11 GLU HA . 30063 1 115 . 1 1 11 11 GLU HB2 H 1 1.918 0.02 . 2 . . . A 11 GLU HB2 . 30063 1 116 . 1 1 11 11 GLU HB3 H 1 2.030 0.02 . 2 . . . A 11 GLU HB3 . 30063 1 117 . 1 1 11 11 GLU HG2 H 1 2.361 0.02 . 2 . . . A 11 GLU HG2 . 30063 1 118 . 1 1 11 11 GLU HG3 H 1 2.384 0.02 . 2 . . . A 11 GLU HG3 . 30063 1 119 . 1 1 11 11 GLU C C 13 180.403 0.30 . 1 . . . A 11 GLU C . 30063 1 120 . 1 1 11 11 GLU CA C 13 59.624 0.30 . 1 . . . A 11 GLU CA . 30063 1 121 . 1 1 11 11 GLU CB C 13 29.274 0.30 . 1 . . . A 11 GLU CB . 30063 1 122 . 1 1 11 11 GLU CG C 13 36.561 0.30 . 1 . . . A 11 GLU CG . 30063 1 123 . 1 1 11 11 GLU N N 15 119.632 0.30 . 1 . . . A 11 GLU N . 30063 1 124 . 1 1 12 12 PHE H H 1 8.535 0.02 . 1 . . . A 12 PHE H . 30063 1 125 . 1 1 12 12 PHE HA H 1 4.996 0.02 . 1 . . . A 12 PHE HA . 30063 1 126 . 1 1 12 12 PHE HB2 H 1 3.475 0.02 . 2 . . . A 12 PHE HB2 . 30063 1 127 . 1 1 12 12 PHE HB3 H 1 3.432 0.02 . 2 . . . A 12 PHE HB3 . 30063 1 128 . 1 1 12 12 PHE HD1 H 1 7.142 0.02 . 3 . . . A 12 PHE HD1 . 30063 1 129 . 1 1 12 12 PHE HD2 H 1 7.144 0.02 . 3 . . . A 12 PHE HD2 . 30063 1 130 . 1 1 12 12 PHE C C 13 178.725 0.30 . 1 . . . A 12 PHE C . 30063 1 131 . 1 1 12 12 PHE CA C 13 59.036 0.30 . 1 . . . A 12 PHE CA . 30063 1 132 . 1 1 12 12 PHE CB C 13 37.709 0.30 . 1 . . . A 12 PHE CB . 30063 1 133 . 1 1 12 12 PHE CD1 C 13 132.197 0.30 . 1 . . . A 12 PHE CD1 . 30063 1 134 . 1 1 12 12 PHE CD2 C 13 131.004 0.30 . 1 . . . A 12 PHE CD2 . 30063 1 135 . 1 1 12 12 PHE N N 15 120.147 0.30 . 1 . . . A 12 PHE N . 30063 1 136 . 1 1 13 13 LYS H H 1 9.162 0.02 . 1 . . . A 13 LYS H . 30063 1 137 . 1 1 13 13 LYS HA H 1 4.003 0.02 . 1 . . . A 13 LYS HA . 30063 1 138 . 1 1 13 13 LYS HB2 H 1 1.900 0.02 . 2 . . . A 13 LYS HB2 . 30063 1 139 . 1 1 13 13 LYS HB3 H 1 1.900 0.02 . 2 . . . A 13 LYS HB3 . 30063 1 140 . 1 1 13 13 LYS HG2 H 1 1.191 0.02 . 2 . . . A 13 LYS HG2 . 30063 1 141 . 1 1 13 13 LYS HG3 H 1 1.019 0.02 . 2 . . . A 13 LYS HG3 . 30063 1 142 . 1 1 13 13 LYS HD2 H 1 1.344 0.02 . 2 . . . A 13 LYS HD2 . 30063 1 143 . 1 1 13 13 LYS HD3 H 1 1.215 0.02 . 2 . . . A 13 LYS HD3 . 30063 1 144 . 1 1 13 13 LYS HE2 H 1 2.568 0.02 . 2 . . . A 13 LYS HE2 . 30063 1 145 . 1 1 13 13 LYS HE3 H 1 2.568 0.02 . 2 . . . A 13 LYS HE3 . 30063 1 146 . 1 1 13 13 LYS C C 13 179.327 0.30 . 1 . . . A 13 LYS C . 30063 1 147 . 1 1 13 13 LYS CA C 13 60.082 0.30 . 1 . . . A 13 LYS CA . 30063 1 148 . 1 1 13 13 LYS CB C 13 32.064 0.30 . 1 . . . A 13 LYS CB . 30063 1 149 . 1 1 13 13 LYS CG C 13 25.594 0.30 . 1 . . . A 13 LYS CG . 30063 1 150 . 1 1 13 13 LYS CD C 13 28.859 0.30 . 1 . . . A 13 LYS CD . 30063 1 151 . 1 1 13 13 LYS CE C 13 41.877 0.30 . 1 . . . A 13 LYS CE . 30063 1 152 . 1 1 13 13 LYS N N 15 123.534 0.30 . 1 . . . A 13 LYS N . 30063 1 153 . 1 1 14 14 GLU H H 1 7.800 0.02 . 1 . . . A 14 GLU H . 30063 1 154 . 1 1 14 14 GLU HA H 1 4.126 0.02 . 1 . . . A 14 GLU HA . 30063 1 155 . 1 1 14 14 GLU HB2 H 1 2.242 0.02 . 2 . . . A 14 GLU HB2 . 30063 1 156 . 1 1 14 14 GLU HB3 H 1 2.183 0.02 . 2 . . . A 14 GLU HB3 . 30063 1 157 . 1 1 14 14 GLU HG2 H 1 2.412 0.02 . 2 . . . A 14 GLU HG2 . 30063 1 158 . 1 1 14 14 GLU C C 13 179.526 0.30 . 1 . . . A 14 GLU C . 30063 1 159 . 1 1 14 14 GLU CA C 13 59.623 0.30 . 1 . . . A 14 GLU CA . 30063 1 160 . 1 1 14 14 GLU CB C 13 28.967 0.30 . 1 . . . A 14 GLU CB . 30063 1 161 . 1 1 14 14 GLU CG C 13 36.256 0.30 . 1 . . . A 14 GLU CG . 30063 1 162 . 1 1 14 14 GLU N N 15 120.482 0.30 . 1 . . . A 14 GLU N . 30063 1 163 . 1 1 15 15 ALA H H 1 7.963 0.02 . 1 . . . A 15 ALA H . 30063 1 164 . 1 1 15 15 ALA HA H 1 4.284 0.02 . 1 . . . A 15 ALA HA . 30063 1 165 . 1 1 15 15 ALA HB1 H 1 1.961 0.02 . 1 . . . A 15 ALA HB1 . 30063 1 166 . 1 1 15 15 ALA HB2 H 1 1.961 0.02 . 1 . . . A 15 ALA HB2 . 30063 1 167 . 1 1 15 15 ALA HB3 H 1 1.961 0.02 . 1 . . . A 15 ALA HB3 . 30063 1 168 . 1 1 15 15 ALA C C 13 178.948 0.30 . 1 . . . A 15 ALA C . 30063 1 169 . 1 1 15 15 ALA CA C 13 55.409 0.30 . 1 . . . A 15 ALA CA . 30063 1 170 . 1 1 15 15 ALA CB C 13 18.124 0.30 . 1 . . . A 15 ALA CB . 30063 1 171 . 1 1 15 15 ALA N N 15 122.566 0.30 . 1 . . . A 15 ALA N . 30063 1 172 . 1 1 16 16 PHE H H 1 8.739 0.02 . 1 . . . A 16 PHE H . 30063 1 173 . 1 1 16 16 PHE HA H 1 3.290 0.02 . 1 . . . A 16 PHE HA . 30063 1 174 . 1 1 16 16 PHE HB2 H 1 2.908 0.02 . 2 . . . A 16 PHE HB2 . 30063 1 175 . 1 1 16 16 PHE HB3 H 1 3.178 0.02 . 2 . . . A 16 PHE HB3 . 30063 1 176 . 1 1 16 16 PHE HD1 H 1 6.616 0.02 . 3 . . . A 16 PHE HD1 . 30063 1 177 . 1 1 16 16 PHE HD2 H 1 6.616 0.02 . 3 . . . A 16 PHE HD2 . 30063 1 178 . 1 1 16 16 PHE C C 13 177.500 0.30 . 1 . . . A 16 PHE C . 30063 1 179 . 1 1 16 16 PHE CA C 13 62.148 0.30 . 1 . . . A 16 PHE CA . 30063 1 180 . 1 1 16 16 PHE CB C 13 39.669 0.30 . 1 . . . A 16 PHE CB . 30063 1 181 . 1 1 16 16 PHE CD1 C 13 132.502 0.30 . 1 . . . A 16 PHE CD1 . 30063 1 182 . 1 1 16 16 PHE CD2 C 13 132.502 0.30 . 1 . . . A 16 PHE CD2 . 30063 1 183 . 1 1 16 16 PHE N N 15 119.111 0.30 . 1 . . . A 16 PHE N . 30063 1 184 . 1 1 17 17 SER H H 1 7.997 0.02 . 1 . . . A 17 SER H . 30063 1 185 . 1 1 17 17 SER HA H 1 4.104 0.02 . 1 . . . A 17 SER HA . 30063 1 186 . 1 1 17 17 SER HB2 H 1 4.026 0.02 . 2 . . . A 17 SER HB2 . 30063 1 187 . 1 1 17 17 SER HB3 H 1 4.026 0.02 . 2 . . . A 17 SER HB3 . 30063 1 188 . 1 1 17 17 SER C C 13 174.777 0.30 . 1 . . . A 17 SER C . 30063 1 189 . 1 1 17 17 SER CA C 13 61.568 0.30 . 1 . . . A 17 SER CA . 30063 1 190 . 1 1 17 17 SER CB C 13 63.363 0.30 . 1 . . . A 17 SER CB . 30063 1 191 . 1 1 17 17 SER N N 15 112.940 0.30 . 1 . . . A 17 SER N . 30063 1 192 . 1 1 18 18 LEU H H 1 7.376 0.02 . 1 . . . A 18 LEU H . 30063 1 193 . 1 1 18 18 LEU HA H 1 3.956 0.02 . 1 . . . A 18 LEU HA . 30063 1 194 . 1 1 18 18 LEU HB2 H 1 1.639 0.02 . 2 . . . A 18 LEU HB2 . 30063 1 195 . 1 1 18 18 LEU HB3 H 1 1.544 0.02 . 2 . . . A 18 LEU HB3 . 30063 1 196 . 1 1 18 18 LEU HG H 1 1.433 0.02 . 1 . . . A 18 LEU HG . 30063 1 197 . 1 1 18 18 LEU HD11 H 1 0.810 0.02 . 2 . . . A 18 LEU HD11 . 30063 1 198 . 1 1 18 18 LEU HD12 H 1 0.810 0.02 . 2 . . . A 18 LEU HD12 . 30063 1 199 . 1 1 18 18 LEU HD13 H 1 0.810 0.02 . 2 . . . A 18 LEU HD13 . 30063 1 200 . 1 1 18 18 LEU HD21 H 1 0.685 0.02 . 2 . . . A 18 LEU HD21 . 30063 1 201 . 1 1 18 18 LEU HD22 H 1 0.685 0.02 . 2 . . . A 18 LEU HD22 . 30063 1 202 . 1 1 18 18 LEU HD23 H 1 0.685 0.02 . 2 . . . A 18 LEU HD23 . 30063 1 203 . 1 1 18 18 LEU C C 13 177.621 0.30 . 1 . . . A 18 LEU C . 30063 1 204 . 1 1 18 18 LEU CA C 13 57.157 0.30 . 1 . . . A 18 LEU CA . 30063 1 205 . 1 1 18 18 LEU CB C 13 41.570 0.30 . 1 . . . A 18 LEU CB . 30063 1 206 . 1 1 18 18 LEU CG C 13 26.717 0.30 . 1 . . . A 18 LEU CG . 30063 1 207 . 1 1 18 18 LEU CD1 C 13 24.748 0.30 . 2 . . . A 18 LEU CD1 . 30063 1 208 . 1 1 18 18 LEU CD2 C 13 23.989 0.30 . 2 . . . A 18 LEU CD2 . 30063 1 209 . 1 1 18 18 LEU N N 15 120.885 0.30 . 1 . . . A 18 LEU N . 30063 1 210 . 1 1 19 19 PHE H H 1 7.102 0.02 . 1 . . . A 19 PHE H . 30063 1 211 . 1 1 19 19 PHE HA H 1 4.218 0.02 . 1 . . . A 19 PHE HA . 30063 1 212 . 1 1 19 19 PHE HB2 H 1 2.678 0.02 . 2 . . . A 19 PHE HB2 . 30063 1 213 . 1 1 19 19 PHE HB3 H 1 2.678 0.02 . 2 . . . A 19 PHE HB3 . 30063 1 214 . 1 1 19 19 PHE HD1 H 1 7.348 0.02 . 3 . . . A 19 PHE HD1 . 30063 1 215 . 1 1 19 19 PHE HD2 H 1 7.309 0.02 . 3 . . . A 19 PHE HD2 . 30063 1 216 . 1 1 19 19 PHE C C 13 176.430 0.30 . 1 . . . A 19 PHE C . 30063 1 217 . 1 1 19 19 PHE CA C 13 59.640 0.30 . 1 . . . A 19 PHE CA . 30063 1 218 . 1 1 19 19 PHE CB C 13 41.330 0.30 . 1 . . . A 19 PHE CB . 30063 1 219 . 1 1 19 19 PHE CD1 C 13 132.776 0.30 . 1 . . . A 19 PHE CD1 . 30063 1 220 . 1 1 19 19 PHE CD2 C 13 130.345 0.30 . 1 . . . A 19 PHE CD2 . 30063 1 221 . 1 1 19 19 PHE N N 15 114.077 0.30 . 1 . . . A 19 PHE N . 30063 1 222 . 1 1 20 20 ASP H H 1 7.704 0.02 . 1 . . . A 20 ASP H . 30063 1 223 . 1 1 20 20 ASP HA H 1 4.553 0.02 . 1 . . . A 20 ASP HA . 30063 1 224 . 1 1 20 20 ASP HB2 H 1 2.347 0.02 . 2 . . . A 20 ASP HB2 . 30063 1 225 . 1 1 20 20 ASP HB3 H 1 1.513 0.02 . 2 . . . A 20 ASP HB3 . 30063 1 226 . 1 1 20 20 ASP C C 13 177.187 0.30 . 1 . . . A 20 ASP C . 30063 1 227 . 1 1 20 20 ASP CA C 13 52.465 0.30 . 1 . . . A 20 ASP CA . 30063 1 228 . 1 1 20 20 ASP CB C 13 39.046 0.30 . 1 . . . A 20 ASP CB . 30063 1 229 . 1 1 20 20 ASP N N 15 117.107 0.30 . 1 . . . A 20 ASP N . 30063 1 230 . 1 1 21 21 LYS H H 1 7.655 0.02 . 1 . . . A 21 LYS H . 30063 1 231 . 1 1 21 21 LYS HA H 1 3.949 0.02 . 1 . . . A 21 LYS HA . 30063 1 232 . 1 1 21 21 LYS HB2 H 1 1.857 0.02 . 2 . . . A 21 LYS HB2 . 30063 1 233 . 1 1 21 21 LYS HB3 H 1 1.857 0.02 . 2 . . . A 21 LYS HB3 . 30063 1 234 . 1 1 21 21 LYS HG2 H 1 1.536 0.02 . 2 . . . A 21 LYS HG2 . 30063 1 235 . 1 1 21 21 LYS HG3 H 1 1.462 0.02 . 2 . . . A 21 LYS HG3 . 30063 1 236 . 1 1 21 21 LYS HD2 H 1 1.669 0.02 . 2 . . . A 21 LYS HD2 . 30063 1 237 . 1 1 21 21 LYS HD3 H 1 1.669 0.02 . 2 . . . A 21 LYS HD3 . 30063 1 238 . 1 1 21 21 LYS HE2 H 1 2.980 0.02 . 2 . . . A 21 LYS HE2 . 30063 1 239 . 1 1 21 21 LYS C C 13 178.197 0.30 . 1 . . . A 21 LYS C . 30063 1 240 . 1 1 21 21 LYS CA C 13 58.509 0.30 . 1 . . . A 21 LYS CA . 30063 1 241 . 1 1 21 21 LYS CB C 13 32.670 0.30 . 1 . . . A 21 LYS CB . 30063 1 242 . 1 1 21 21 LYS CG C 13 24.477 0.30 . 1 . . . A 21 LYS CG . 30063 1 243 . 1 1 21 21 LYS CD C 13 28.392 0.30 . 1 . . . A 21 LYS CD . 30063 1 244 . 1 1 21 21 LYS CE C 13 42.165 0.30 . 1 . . . A 21 LYS CE . 30063 1 245 . 1 1 21 21 LYS N N 15 124.362 0.30 . 1 . . . A 21 LYS N . 30063 1 246 . 1 1 22 22 ASP H H 1 8.099 0.02 . 1 . . . A 22 ASP H . 30063 1 247 . 1 1 22 22 ASP HA H 1 4.567 0.02 . 1 . . . A 22 ASP HA . 30063 1 248 . 1 1 22 22 ASP HB2 H 1 3.055 0.02 . 2 . . . A 22 ASP HB2 . 30063 1 249 . 1 1 22 22 ASP HB3 H 1 2.633 0.02 . 2 . . . A 22 ASP HB3 . 30063 1 250 . 1 1 22 22 ASP C C 13 177.726 0.30 . 1 . . . A 22 ASP C . 30063 1 251 . 1 1 22 22 ASP CA C 13 52.998 0.30 . 1 . . . A 22 ASP CA . 30063 1 252 . 1 1 22 22 ASP CB C 13 39.788 0.30 . 1 . . . A 22 ASP CB . 30063 1 253 . 1 1 22 22 ASP N N 15 114.063 0.30 . 1 . . . A 22 ASP N . 30063 1 254 . 1 1 23 23 GLY H H 1 7.662 0.02 . 1 . . . A 23 GLY H . 30063 1 255 . 1 1 23 23 GLY HA2 H 1 3.818 0.02 . 2 . . . A 23 GLY HA2 . 30063 1 256 . 1 1 23 23 GLY HA3 H 1 3.978 0.02 . 2 . . . A 23 GLY HA3 . 30063 1 257 . 1 1 23 23 GLY C C 13 175.161 0.30 . 1 . . . A 23 GLY C . 30063 1 258 . 1 1 23 23 GLY CA C 13 47.386 0.30 . 1 . . . A 23 GLY CA . 30063 1 259 . 1 1 23 23 GLY N N 15 109.235 0.30 . 1 . . . A 23 GLY N . 30063 1 260 . 1 1 24 24 ASP H H 1 8.397 0.02 . 1 . . . A 24 ASP H . 30063 1 261 . 1 1 24 24 ASP HA H 1 4.486 0.02 . 1 . . . A 24 ASP HA . 30063 1 262 . 1 1 24 24 ASP HB2 H 1 3.038 0.02 . 2 . . . A 24 ASP HB2 . 30063 1 263 . 1 1 24 24 ASP HB3 H 1 2.446 0.02 . 2 . . . A 24 ASP HB3 . 30063 1 264 . 1 1 24 24 ASP C C 13 177.440 0.30 . 1 . . . A 24 ASP C . 30063 1 265 . 1 1 24 24 ASP CA C 13 53.926 0.30 . 1 . . . A 24 ASP CA . 30063 1 266 . 1 1 24 24 ASP CB C 13 40.500 0.30 . 1 . . . A 24 ASP CB . 30063 1 267 . 1 1 24 24 ASP N N 15 120.899 0.30 . 1 . . . A 24 ASP N . 30063 1 268 . 1 1 25 25 GLY H H 1 10.577 0.02 . 1 . . . A 25 GLY H . 30063 1 269 . 1 1 25 25 GLY HA2 H 1 4.359 0.02 . 2 . . . A 25 GLY HA2 . 30063 1 270 . 1 1 25 25 GLY HA3 H 1 3.694 0.02 . 2 . . . A 25 GLY HA3 . 30063 1 271 . 1 1 25 25 GLY C C 13 173.796 0.30 . 1 . . . A 25 GLY C . 30063 1 272 . 1 1 25 25 GLY CA C 13 45.483 0.30 . 1 . . . A 25 GLY CA . 30063 1 273 . 1 1 25 25 GLY N N 15 113.122 0.30 . 1 . . . A 25 GLY N . 30063 1 274 . 1 1 26 26 THR H H 1 8.165 0.02 . 1 . . . A 26 THR H . 30063 1 275 . 1 1 26 26 THR HA H 1 5.364 0.02 . 1 . . . A 26 THR HA . 30063 1 276 . 1 1 26 26 THR HB H 1 3.840 0.02 . 1 . . . A 26 THR HB . 30063 1 277 . 1 1 26 26 THR HG21 H 1 1.039 0.02 . 1 . . . A 26 THR HG21 . 30063 1 278 . 1 1 26 26 THR HG22 H 1 1.039 0.02 . 1 . . . A 26 THR HG22 . 30063 1 279 . 1 1 26 26 THR HG23 H 1 1.039 0.02 . 1 . . . A 26 THR HG23 . 30063 1 280 . 1 1 26 26 THR C C 13 173.113 0.30 . 1 . . . A 26 THR C . 30063 1 281 . 1 1 26 26 THR CA C 13 59.799 0.30 . 1 . . . A 26 THR CA . 30063 1 282 . 1 1 26 26 THR CB C 13 72.634 0.30 . 1 . . . A 26 THR CB . 30063 1 283 . 1 1 26 26 THR CG2 C 13 21.916 0.30 . 1 . . . A 26 THR CG2 . 30063 1 284 . 1 1 26 26 THR N N 15 112.608 0.30 . 1 . . . A 26 THR N . 30063 1 285 . 1 1 27 27 ILE H H 1 9.832 0.02 . 1 . . . A 27 ILE H . 30063 1 286 . 1 1 27 27 ILE HA H 1 4.863 0.02 . 1 . . . A 27 ILE HA . 30063 1 287 . 1 1 27 27 ILE HB H 1 1.781 0.02 . 1 . . . A 27 ILE HB . 30063 1 288 . 1 1 27 27 ILE HG12 H 1 1.208 0.02 . 2 . . . A 27 ILE HG12 . 30063 1 289 . 1 1 27 27 ILE HG13 H 1 0.265 0.02 . 2 . . . A 27 ILE HG13 . 30063 1 290 . 1 1 27 27 ILE HG21 H 1 0.876 0.02 . 1 . . . A 27 ILE HG21 . 30063 1 291 . 1 1 27 27 ILE HG22 H 1 0.876 0.02 . 1 . . . A 27 ILE HG22 . 30063 1 292 . 1 1 27 27 ILE HG23 H 1 0.876 0.02 . 1 . . . A 27 ILE HG23 . 30063 1 293 . 1 1 27 27 ILE HD11 H 1 0.355 0.02 . 1 . . . A 27 ILE HD11 . 30063 1 294 . 1 1 27 27 ILE HD12 H 1 0.355 0.02 . 1 . . . A 27 ILE HD12 . 30063 1 295 . 1 1 27 27 ILE HD13 H 1 0.355 0.02 . 1 . . . A 27 ILE HD13 . 30063 1 296 . 1 1 27 27 ILE C C 13 176.103 0.30 . 1 . . . A 27 ILE C . 30063 1 297 . 1 1 27 27 ILE CA C 13 60.751 0.30 . 1 . . . A 27 ILE CA . 30063 1 298 . 1 1 27 27 ILE CB C 13 39.929 0.30 . 1 . . . A 27 ILE CB . 30063 1 299 . 1 1 27 27 ILE CG1 C 13 26.962 0.30 . 1 . . . A 27 ILE CG1 . 30063 1 300 . 1 1 27 27 ILE CG2 C 13 17.684 0.30 . 1 . . . A 27 ILE CG2 . 30063 1 301 . 1 1 27 27 ILE CD1 C 13 15.427 0.30 . 1 . . . A 27 ILE CD1 . 30063 1 302 . 1 1 27 27 ILE N N 15 126.994 0.30 . 1 . . . A 27 ILE N . 30063 1 303 . 1 1 28 28 THR H H 1 8.386 0.02 . 1 . . . A 28 THR H . 30063 1 304 . 1 1 28 28 THR HA H 1 4.843 0.02 . 1 . . . A 28 THR HA . 30063 1 305 . 1 1 28 28 THR HB H 1 4.819 0.02 . 1 . . . A 28 THR HB . 30063 1 306 . 1 1 28 28 THR HG21 H 1 1.285 0.02 . 1 . . . A 28 THR HG21 . 30063 1 307 . 1 1 28 28 THR HG22 H 1 1.285 0.02 . 1 . . . A 28 THR HG22 . 30063 1 308 . 1 1 28 28 THR HG23 H 1 1.285 0.02 . 1 . . . A 28 THR HG23 . 30063 1 309 . 1 1 28 28 THR C C 13 176.509 0.30 . 1 . . . A 28 THR C . 30063 1 310 . 1 1 28 28 THR CA C 13 59.512 0.30 . 1 . . . A 28 THR CA . 30063 1 311 . 1 1 28 28 THR CB C 13 72.637 0.30 . 1 . . . A 28 THR CB . 30063 1 312 . 1 1 28 28 THR CG2 C 13 21.828 0.30 . 1 . . . A 28 THR CG2 . 30063 1 313 . 1 1 28 28 THR N N 15 116.479 0.30 . 1 . . . A 28 THR N . 30063 1 314 . 1 1 29 29 THR H H 1 9.080 0.02 . 1 . . . A 29 THR H . 30063 1 315 . 1 1 29 29 THR HA H 1 3.734 0.02 . 1 . . . A 29 THR HA . 30063 1 316 . 1 1 29 29 THR HB H 1 4.174 0.02 . 1 . . . A 29 THR HB . 30063 1 317 . 1 1 29 29 THR HG21 H 1 1.242 0.02 . 1 . . . A 29 THR HG21 . 30063 1 318 . 1 1 29 29 THR HG22 H 1 1.242 0.02 . 1 . . . A 29 THR HG22 . 30063 1 319 . 1 1 29 29 THR HG23 H 1 1.242 0.02 . 1 . . . A 29 THR HG23 . 30063 1 320 . 1 1 29 29 THR C C 13 177.145 0.30 . 1 . . . A 29 THR C . 30063 1 321 . 1 1 29 29 THR CA C 13 66.498 0.30 . 1 . . . A 29 THR CA . 30063 1 322 . 1 1 29 29 THR CB C 13 68.116 0.30 . 1 . . . A 29 THR CB . 30063 1 323 . 1 1 29 29 THR CG2 C 13 23.397 0.30 . 1 . . . A 29 THR CG2 . 30063 1 324 . 1 1 29 29 THR N N 15 112.964 0.30 . 1 . . . A 29 THR N . 30063 1 325 . 1 1 30 30 LYS H H 1 7.634 0.02 . 1 . . . A 30 LYS H . 30063 1 326 . 1 1 30 30 LYS HA H 1 4.111 0.02 . 1 . . . A 30 LYS HA . 30063 1 327 . 1 1 30 30 LYS HB2 H 1 1.852 0.02 . 2 . . . A 30 LYS HB2 . 30063 1 328 . 1 1 30 30 LYS HB3 H 1 1.780 0.02 . 2 . . . A 30 LYS HB3 . 30063 1 329 . 1 1 30 30 LYS HG2 H 1 1.468 0.02 . 2 . . . A 30 LYS HG2 . 30063 1 330 . 1 1 30 30 LYS HG3 H 1 1.396 0.02 . 2 . . . A 30 LYS HG3 . 30063 1 331 . 1 1 30 30 LYS HD2 H 1 1.652 0.02 . 2 . . . A 30 LYS HD2 . 30063 1 332 . 1 1 30 30 LYS HD3 H 1 1.652 0.02 . 2 . . . A 30 LYS HD3 . 30063 1 333 . 1 1 30 30 LYS HE2 H 1 2.969 0.02 . 2 . . . A 30 LYS HE2 . 30063 1 334 . 1 1 30 30 LYS C C 13 179.894 0.30 . 1 . . . A 30 LYS C . 30063 1 335 . 1 1 30 30 LYS CA C 13 59.158 0.30 . 1 . . . A 30 LYS CA . 30063 1 336 . 1 1 30 30 LYS CB C 13 32.576 0.30 . 1 . . . A 30 LYS CB . 30063 1 337 . 1 1 30 30 LYS CG C 13 24.756 0.30 . 1 . . . A 30 LYS CG . 30063 1 338 . 1 1 30 30 LYS CD C 13 29.188 0.30 . 1 . . . A 30 LYS CD . 30063 1 339 . 1 1 30 30 LYS CE C 13 42.147 0.30 . 1 . . . A 30 LYS CE . 30063 1 340 . 1 1 30 30 LYS N N 15 120.754 0.30 . 1 . . . A 30 LYS N . 30063 1 341 . 1 1 31 31 GLU H H 1 7.655 0.02 . 1 . . . A 31 GLU H . 30063 1 342 . 1 1 31 31 GLU HA H 1 4.009 0.02 . 1 . . . A 31 GLU HA . 30063 1 343 . 1 1 31 31 GLU HB2 H 1 2.342 0.02 . 2 . . . A 31 GLU HB2 . 30063 1 344 . 1 1 31 31 GLU HB3 H 1 2.672 0.02 . 2 . . . A 31 GLU HB3 . 30063 1 345 . 1 1 31 31 GLU HG2 H 1 2.487 0.02 . 2 . . . A 31 GLU HG2 . 30063 1 346 . 1 1 31 31 GLU HG3 H 1 2.319 0.02 . 2 . . . A 31 GLU HG3 . 30063 1 347 . 1 1 31 31 GLU C C 13 179.007 0.30 . 1 . . . A 31 GLU C . 30063 1 348 . 1 1 31 31 GLU CA C 13 59.622 0.30 . 1 . . . A 31 GLU CA . 30063 1 349 . 1 1 31 31 GLU CB C 13 29.811 0.30 . 1 . . . A 31 GLU CB . 30063 1 350 . 1 1 31 31 GLU CG C 13 38.248 0.30 . 1 . . . A 31 GLU CG . 30063 1 351 . 1 1 31 31 GLU N N 15 121.599 0.30 . 1 . . . A 31 GLU N . 30063 1 352 . 1 1 32 32 LEU H H 1 8.582 0.02 . 1 . . . A 32 LEU H . 30063 1 353 . 1 1 32 32 LEU HA H 1 4.073 0.02 . 1 . . . A 32 LEU HA . 30063 1 354 . 1 1 32 32 LEU HB2 H 1 1.763 0.02 . 2 . . . A 32 LEU HB2 . 30063 1 355 . 1 1 32 32 LEU HB3 H 1 1.337 0.02 . 2 . . . A 32 LEU HB3 . 30063 1 356 . 1 1 32 32 LEU HG H 1 0.825 0.02 . 1 . . . A 32 LEU HG . 30063 1 357 . 1 1 32 32 LEU HD11 H 1 0.490 0.02 . 2 . . . A 32 LEU HD11 . 30063 1 358 . 1 1 32 32 LEU HD12 H 1 0.490 0.02 . 2 . . . A 32 LEU HD12 . 30063 1 359 . 1 1 32 32 LEU HD13 H 1 0.490 0.02 . 2 . . . A 32 LEU HD13 . 30063 1 360 . 1 1 32 32 LEU HD21 H 1 0.476 0.02 . 2 . . . A 32 LEU HD21 . 30063 1 361 . 1 1 32 32 LEU HD22 H 1 0.476 0.02 . 2 . . . A 32 LEU HD22 . 30063 1 362 . 1 1 32 32 LEU HD23 H 1 0.476 0.02 . 2 . . . A 32 LEU HD23 . 30063 1 363 . 1 1 32 32 LEU C C 13 178.955 0.30 . 1 . . . A 32 LEU C . 30063 1 364 . 1 1 32 32 LEU CA C 13 58.231 0.30 . 1 . . . A 32 LEU CA . 30063 1 365 . 1 1 32 32 LEU CB C 13 42.462 0.30 . 1 . . . A 32 LEU CB . 30063 1 366 . 1 1 32 32 LEU CG C 13 25.897 0.30 . 1 . . . A 32 LEU CG . 30063 1 367 . 1 1 32 32 LEU CD1 C 13 25.920 0.30 . 2 . . . A 32 LEU CD1 . 30063 1 368 . 1 1 32 32 LEU CD2 C 13 23.605 0.30 . 2 . . . A 32 LEU CD2 . 30063 1 369 . 1 1 32 32 LEU N N 15 120.382 0.30 . 1 . . . A 32 LEU N . 30063 1 370 . 1 1 33 33 GLY H H 1 8.610 0.02 . 1 . . . A 33 GLY H . 30063 1 371 . 1 1 33 33 GLY HA2 H 1 3.528 0.02 . 2 . . . A 33 GLY HA2 . 30063 1 372 . 1 1 33 33 GLY HA3 H 1 3.944 0.02 . 2 . . . A 33 GLY HA3 . 30063 1 373 . 1 1 33 33 GLY C C 13 175.169 0.30 . 1 . . . A 33 GLY C . 30063 1 374 . 1 1 33 33 GLY CA C 13 48.448 0.30 . 1 . . . A 33 GLY CA . 30063 1 375 . 1 1 33 33 GLY N N 15 105.481 0.30 . 1 . . . A 33 GLY N . 30063 1 376 . 1 1 34 34 THR H H 1 7.929 0.02 . 1 . . . A 34 THR H . 30063 1 377 . 1 1 34 34 THR HA H 1 3.917 0.02 . 1 . . . A 34 THR HA . 30063 1 378 . 1 1 34 34 THR HB H 1 4.328 0.02 . 1 . . . A 34 THR HB . 30063 1 379 . 1 1 34 34 THR HG21 H 1 1.266 0.02 . 1 . . . A 34 THR HG21 . 30063 1 380 . 1 1 34 34 THR HG22 H 1 1.266 0.02 . 1 . . . A 34 THR HG22 . 30063 1 381 . 1 1 34 34 THR HG23 H 1 1.266 0.02 . 1 . . . A 34 THR HG23 . 30063 1 382 . 1 1 34 34 THR C C 13 177.154 0.30 . 1 . . . A 34 THR C . 30063 1 383 . 1 1 34 34 THR CA C 13 67.030 0.30 . 1 . . . A 34 THR CA . 30063 1 384 . 1 1 34 34 THR CB C 13 68.809 0.30 . 1 . . . A 34 THR CB . 30063 1 385 . 1 1 34 34 THR CG2 C 13 21.594 0.30 . 1 . . . A 34 THR CG2 . 30063 1 386 . 1 1 34 34 THR N N 15 118.098 0.30 . 1 . . . A 34 THR N . 30063 1 387 . 1 1 35 35 VAL H H 1 7.718 0.02 . 1 . . . A 35 VAL H . 30063 1 388 . 1 1 35 35 VAL HA H 1 3.568 0.02 . 1 . . . A 35 VAL HA . 30063 1 389 . 1 1 35 35 VAL HB H 1 2.023 0.02 . 1 . . . A 35 VAL HB . 30063 1 390 . 1 1 35 35 VAL HG11 H 1 0.812 0.02 . 2 . . . A 35 VAL HG11 . 30063 1 391 . 1 1 35 35 VAL HG12 H 1 0.812 0.02 . 2 . . . A 35 VAL HG12 . 30063 1 392 . 1 1 35 35 VAL HG13 H 1 0.812 0.02 . 2 . . . A 35 VAL HG13 . 30063 1 393 . 1 1 35 35 VAL HG21 H 1 0.498 0.02 . 2 . . . A 35 VAL HG21 . 30063 1 394 . 1 1 35 35 VAL HG22 H 1 0.498 0.02 . 2 . . . A 35 VAL HG22 . 30063 1 395 . 1 1 35 35 VAL HG23 H 1 0.498 0.02 . 2 . . . A 35 VAL HG23 . 30063 1 396 . 1 1 35 35 VAL C C 13 179.266 0.30 . 1 . . . A 35 VAL C . 30063 1 397 . 1 1 35 35 VAL CA C 13 66.467 0.30 . 1 . . . A 35 VAL CA . 30063 1 398 . 1 1 35 35 VAL CB C 13 31.546 0.30 . 1 . . . A 35 VAL CB . 30063 1 399 . 1 1 35 35 VAL CG1 C 13 22.780 0.30 . 2 . . . A 35 VAL CG1 . 30063 1 400 . 1 1 35 35 VAL CG2 C 13 20.768 0.30 . 2 . . . A 35 VAL CG2 . 30063 1 401 . 1 1 35 35 VAL N N 15 122.308 0.30 . 1 . . . A 35 VAL N . 30063 1 402 . 1 1 36 36 MET H H 1 8.524 0.02 . 1 . . . A 36 MET H . 30063 1 403 . 1 1 36 36 MET HA H 1 4.105 0.02 . 1 . . . A 36 MET HA . 30063 1 404 . 1 1 36 36 MET HB2 H 1 1.796 0.02 . 2 . . . A 36 MET HB2 . 30063 1 405 . 1 1 36 36 MET HB3 H 1 2.015 0.02 . 2 . . . A 36 MET HB3 . 30063 1 406 . 1 1 36 36 MET HG2 H 1 2.569 0.02 . 2 . . . A 36 MET HG2 . 30063 1 407 . 1 1 36 36 MET HG3 H 1 2.567 0.02 . 2 . . . A 36 MET HG3 . 30063 1 408 . 1 1 36 36 MET HE1 H 1 1.933 0.02 . 1 . . . A 36 MET HE1 . 30063 1 409 . 1 1 36 36 MET HE2 H 1 1.933 0.02 . 1 . . . A 36 MET HE2 . 30063 1 410 . 1 1 36 36 MET HE3 H 1 1.933 0.02 . 1 . . . A 36 MET HE3 . 30063 1 411 . 1 1 36 36 MET C C 13 179.148 0.30 . 1 . . . A 36 MET C . 30063 1 412 . 1 1 36 36 MET CA C 13 59.067 0.30 . 1 . . . A 36 MET CA . 30063 1 413 . 1 1 36 36 MET CB C 13 31.503 0.30 . 1 . . . A 36 MET CB . 30063 1 414 . 1 1 36 36 MET CG C 13 32.944 0.30 . 1 . . . A 36 MET CG . 30063 1 415 . 1 1 36 36 MET CE C 13 17.679 0.30 . 1 . . . A 36 MET CE . 30063 1 416 . 1 1 36 36 MET N N 15 118.490 0.30 . 1 . . . A 36 MET N . 30063 1 417 . 1 1 37 37 ARG H H 1 8.479 0.02 . 1 . . . A 37 ARG H . 30063 1 418 . 1 1 37 37 ARG HA H 1 4.779 0.02 . 1 . . . A 37 ARG HA . 30063 1 419 . 1 1 37 37 ARG HB2 H 1 1.881 0.02 . 1 . . . A 37 ARG HB2 . 30063 1 420 . 1 1 37 37 ARG HB3 H 1 1.882 0.02 . 1 . . . A 37 ARG HB3 . 30063 1 421 . 1 1 37 37 ARG HG2 H 1 1.886 0.02 . 1 . . . A 37 ARG HG2 . 30063 1 422 . 1 1 37 37 ARG HG3 H 1 1.816 0.02 . 1 . . . A 37 ARG HG3 . 30063 1 423 . 1 1 37 37 ARG HD2 H 1 3.283 0.02 . 1 . . . A 37 ARG HD2 . 30063 1 424 . 1 1 37 37 ARG HD3 H 1 3.127 0.02 . 1 . . . A 37 ARG HD3 . 30063 1 425 . 1 1 37 37 ARG C C 13 181.255 0.30 . 1 . . . A 37 ARG C . 30063 1 426 . 1 1 37 37 ARG CA C 13 59.441 0.30 . 1 . . . A 37 ARG CA . 30063 1 427 . 1 1 37 37 ARG CB C 13 30.086 0.30 . 1 . . . A 37 ARG CB . 30063 1 428 . 1 1 37 37 ARG CG C 13 29.252 0.30 . 1 . . . A 37 ARG CG . 30063 1 429 . 1 1 37 37 ARG CD C 13 43.592 0.30 . 1 . . . A 37 ARG CD . 30063 1 430 . 1 1 37 37 ARG N N 15 118.866 0.30 . 1 . . . A 37 ARG N . 30063 1 431 . 1 1 38 38 SER H H 1 7.912 0.02 . 1 . . . A 38 SER H . 30063 1 432 . 1 1 38 38 SER HA H 1 4.391 0.02 . 1 . . . A 38 SER HA . 30063 1 433 . 1 1 38 38 SER HB2 H 1 4.103 0.02 . 2 . . . A 38 SER HB2 . 30063 1 434 . 1 1 38 38 SER HB3 H 1 4.053 0.02 . 2 . . . A 38 SER HB3 . 30063 1 435 . 1 1 38 38 SER C C 13 174.990 0.30 . 1 . . . A 38 SER C . 30063 1 436 . 1 1 38 38 SER CA C 13 61.663 0.30 . 1 . . . A 38 SER CA . 30063 1 437 . 1 1 38 38 SER CB C 13 63.096 0.30 . 1 . . . A 38 SER CB . 30063 1 438 . 1 1 38 38 SER N N 15 118.843 0.30 . 1 . . . A 38 SER N . 30063 1 439 . 1 1 39 39 LEU H H 1 7.391 0.02 . 1 . . . A 39 LEU H . 30063 1 440 . 1 1 39 39 LEU HA H 1 4.475 0.02 . 1 . . . A 39 LEU HA . 30063 1 441 . 1 1 39 39 LEU HB2 H 1 1.882 0.02 . 2 . . . A 39 LEU HB2 . 30063 1 442 . 1 1 39 39 LEU HB3 H 1 1.793 0.02 . 2 . . . A 39 LEU HB3 . 30063 1 443 . 1 1 39 39 LEU HG H 1 1.802 0.02 . 1 . . . A 39 LEU HG . 30063 1 444 . 1 1 39 39 LEU HD11 H 1 0.832 0.02 . 2 . . . A 39 LEU HD11 . 30063 1 445 . 1 1 39 39 LEU HD12 H 1 0.832 0.02 . 2 . . . A 39 LEU HD12 . 30063 1 446 . 1 1 39 39 LEU HD13 H 1 0.832 0.02 . 2 . . . A 39 LEU HD13 . 30063 1 447 . 1 1 39 39 LEU HD21 H 1 0.808 0.02 . 2 . . . A 39 LEU HD21 . 30063 1 448 . 1 1 39 39 LEU HD22 H 1 0.808 0.02 . 2 . . . A 39 LEU HD22 . 30063 1 449 . 1 1 39 39 LEU HD23 H 1 0.808 0.02 . 2 . . . A 39 LEU HD23 . 30063 1 450 . 1 1 39 39 LEU C C 13 177.469 0.30 . 1 . . . A 39 LEU C . 30063 1 451 . 1 1 39 39 LEU CA C 13 54.648 0.30 . 1 . . . A 39 LEU CA . 30063 1 452 . 1 1 39 39 LEU CB C 13 42.006 0.30 . 1 . . . A 39 LEU CB . 30063 1 453 . 1 1 39 39 LEU CG C 13 26.307 0.30 . 1 . . . A 39 LEU CG . 30063 1 454 . 1 1 39 39 LEU CD1 C 13 25.866 0.30 . 2 . . . A 39 LEU CD1 . 30063 1 455 . 1 1 39 39 LEU CD2 C 13 22.217 0.30 . 2 . . . A 39 LEU CD2 . 30063 1 456 . 1 1 39 39 LEU N N 15 120.885 0.30 . 1 . . . A 39 LEU N . 30063 1 457 . 1 1 40 40 GLY H H 1 7.819 0.02 . 1 . . . A 40 GLY H . 30063 1 458 . 1 1 40 40 GLY HA2 H 1 3.776 0.02 . 2 . . . A 40 GLY HA2 . 30063 1 459 . 1 1 40 40 GLY HA3 H 1 4.261 0.02 . 2 . . . A 40 GLY HA3 . 30063 1 460 . 1 1 40 40 GLY C C 13 174.398 0.30 . 1 . . . A 40 GLY C . 30063 1 461 . 1 1 40 40 GLY CA C 13 45.609 0.30 . 1 . . . A 40 GLY CA . 30063 1 462 . 1 1 40 40 GLY N N 15 106.779 0.30 . 1 . . . A 40 GLY N . 30063 1 463 . 1 1 41 41 GLN H H 1 7.784 0.02 . 1 . . . A 41 GLN H . 30063 1 464 . 1 1 41 41 GLN HA H 1 4.480 0.02 . 1 . . . A 41 GLN HA . 30063 1 465 . 1 1 41 41 GLN HB2 H 1 2.121 0.02 . 2 . . . A 41 GLN HB2 . 30063 1 466 . 1 1 41 41 GLN HB3 H 1 1.628 0.02 . 2 . . . A 41 GLN HB3 . 30063 1 467 . 1 1 41 41 GLN HG2 H 1 2.221 0.02 . 2 . . . A 41 GLN HG2 . 30063 1 468 . 1 1 41 41 GLN HG3 H 1 2.221 0.02 . 2 . . . A 41 GLN HG3 . 30063 1 469 . 1 1 41 41 GLN HE21 H 1 7.482 0.02 . 1 . . . A 41 GLN HE21 . 30063 1 470 . 1 1 41 41 GLN HE22 H 1 6.783 0.02 . 1 . . . A 41 GLN HE22 . 30063 1 471 . 1 1 41 41 GLN C C 13 174.168 0.30 . 1 . . . A 41 GLN C . 30063 1 472 . 1 1 41 41 GLN CA C 13 54.504 0.30 . 1 . . . A 41 GLN CA . 30063 1 473 . 1 1 41 41 GLN CB C 13 30.568 0.30 . 1 . . . A 41 GLN CB . 30063 1 474 . 1 1 41 41 GLN CG C 13 34.030 0.30 . 1 . . . A 41 GLN CG . 30063 1 475 . 1 1 41 41 GLN N N 15 118.453 0.30 . 1 . . . A 41 GLN N . 30063 1 476 . 1 1 41 41 GLN NE2 N 15 112.295 0.30 . 1 . . . A 41 GLN NE2 . 30063 1 477 . 1 1 42 42 ASN H H 1 8.673 0.02 . 1 . . . A 42 ASN H . 30063 1 478 . 1 1 42 42 ASN HA H 1 5.164 0.02 . 1 . . . A 42 ASN HA . 30063 1 479 . 1 1 42 42 ASN HB2 H 1 2.772 0.02 . 1 . . . A 42 ASN HB2 . 30063 1 480 . 1 1 42 42 ASN HB3 H 1 2.499 0.02 . 1 . . . A 42 ASN HB3 . 30063 1 481 . 1 1 42 42 ASN HD21 H 1 7.460 0.02 . 1 . . . A 42 ASN HD21 . 30063 1 482 . 1 1 42 42 ASN HD22 H 1 6.667 0.02 . 1 . . . A 42 ASN HD22 . 30063 1 483 . 1 1 42 42 ASN C C 13 174.774 0.30 . 1 . . . A 42 ASN C . 30063 1 484 . 1 1 42 42 ASN CA C 13 51.286 0.30 . 1 . . . A 42 ASN CA . 30063 1 485 . 1 1 42 42 ASN CB C 13 39.330 0.30 . 1 . . . A 42 ASN CB . 30063 1 486 . 1 1 42 42 ASN CG C 13 178.116 0.30 . 1 . . . A 42 ASN CG . 30063 1 487 . 1 1 42 42 ASN N N 15 116.404 0.30 . 1 . . . A 42 ASN N . 30063 1 488 . 1 1 42 42 ASN ND2 N 15 112.027 0.30 . 1 . . . A 42 ASN ND2 . 30063 1 489 . 1 1 43 43 PRO HA H 1 4.739 0.02 . 1 . . . A 43 PRO HA . 30063 1 490 . 1 1 43 43 PRO HB2 H 1 2.178 0.02 . 2 . . . A 43 PRO HB2 . 30063 1 491 . 1 1 43 43 PRO HB3 H 1 1.889 0.02 . 2 . . . A 43 PRO HB3 . 30063 1 492 . 1 1 43 43 PRO HG2 H 1 1.884 0.02 . 2 . . . A 43 PRO HG2 . 30063 1 493 . 1 1 43 43 PRO HG3 H 1 1.884 0.02 . 2 . . . A 43 PRO HG3 . 30063 1 494 . 1 1 43 43 PRO HD2 H 1 3.280 0.02 . 2 . . . A 43 PRO HD2 . 30063 1 495 . 1 1 43 43 PRO HD3 H 1 3.561 0.02 . 2 . . . A 43 PRO HD3 . 30063 1 496 . 1 1 43 43 PRO C C 13 177.651 0.30 . 1 . . . A 43 PRO C . 30063 1 497 . 1 1 43 43 PRO CA C 13 62.469 0.30 . 1 . . . A 43 PRO CA . 30063 1 498 . 1 1 43 43 PRO CB C 13 32.025 0.30 . 1 . . . A 43 PRO CB . 30063 1 499 . 1 1 43 43 PRO CG C 13 27.567 0.30 . 1 . . . A 43 PRO CG . 30063 1 500 . 1 1 43 43 PRO CD C 13 49.893 0.30 . 1 . . . A 43 PRO CD . 30063 1 501 . 1 1 44 44 THR H H 1 8.728 0.02 . 1 . . . A 44 THR H . 30063 1 502 . 1 1 44 44 THR HA H 1 4.426 0.02 . 1 . . . A 44 THR HA . 30063 1 503 . 1 1 44 44 THR HB H 1 4.706 0.02 . 1 . . . A 44 THR HB . 30063 1 504 . 1 1 44 44 THR HG21 H 1 1.339 0.02 . 1 . . . A 44 THR HG21 . 30063 1 505 . 1 1 44 44 THR HG22 H 1 1.339 0.02 . 1 . . . A 44 THR HG22 . 30063 1 506 . 1 1 44 44 THR HG23 H 1 1.339 0.02 . 1 . . . A 44 THR HG23 . 30063 1 507 . 1 1 44 44 THR C C 13 175.209 0.30 . 1 . . . A 44 THR C . 30063 1 508 . 1 1 44 44 THR CA C 13 60.537 0.30 . 1 . . . A 44 THR CA . 30063 1 509 . 1 1 44 44 THR CB C 13 71.304 0.30 . 1 . . . A 44 THR CB . 30063 1 510 . 1 1 44 44 THR CG2 C 13 21.939 0.30 . 1 . . . A 44 THR CG2 . 30063 1 511 . 1 1 44 44 THR N N 15 112.921 0.30 . 1 . . . A 44 THR N . 30063 1 512 . 1 1 45 45 GLU H H 1 8.753 0.02 . 1 . . . A 45 GLU H . 30063 1 513 . 1 1 45 45 GLU HA H 1 3.956 0.02 . 1 . . . A 45 GLU HA . 30063 1 514 . 1 1 45 45 GLU HB2 H 1 2.030 0.02 . 2 . . . A 45 GLU HB2 . 30063 1 515 . 1 1 45 45 GLU HG2 H 1 2.314 0.02 . 2 . . . A 45 GLU HG2 . 30063 1 516 . 1 1 45 45 GLU HG3 H 1 2.311 0.02 . 2 . . . A 45 GLU HG3 . 30063 1 517 . 1 1 45 45 GLU C C 13 178.937 0.30 . 1 . . . A 45 GLU C . 30063 1 518 . 1 1 45 45 GLU CA C 13 60.056 0.30 . 1 . . . A 45 GLU CA . 30063 1 519 . 1 1 45 45 GLU CB C 13 28.967 0.30 . 1 . . . A 45 GLU CB . 30063 1 520 . 1 1 45 45 GLU CG C 13 36.281 0.30 . 1 . . . A 45 GLU CG . 30063 1 521 . 1 1 45 45 GLU N N 15 120.668 0.30 . 1 . . . A 45 GLU N . 30063 1 522 . 1 1 46 46 ALA H H 1 8.184 0.02 . 1 . . . A 46 ALA H . 30063 1 523 . 1 1 46 46 ALA HA H 1 4.078 0.02 . 1 . . . A 46 ALA HA . 30063 1 524 . 1 1 46 46 ALA HB1 H 1 1.382 0.02 . 1 . . . A 46 ALA HB1 . 30063 1 525 . 1 1 46 46 ALA HB2 H 1 1.382 0.02 . 1 . . . A 46 ALA HB2 . 30063 1 526 . 1 1 46 46 ALA HB3 H 1 1.382 0.02 . 1 . . . A 46 ALA HB3 . 30063 1 527 . 1 1 46 46 ALA C C 13 180.210 0.30 . 1 . . . A 46 ALA C . 30063 1 528 . 1 1 46 46 ALA CA C 13 55.123 0.30 . 1 . . . A 46 ALA CA . 30063 1 529 . 1 1 46 46 ALA CB C 13 18.253 0.30 . 1 . . . A 46 ALA CB . 30063 1 530 . 1 1 46 46 ALA N N 15 120.705 0.30 . 1 . . . A 46 ALA N . 30063 1 531 . 1 1 47 47 GLU H H 1 7.636 0.02 . 1 . . . A 47 GLU H . 30063 1 532 . 1 1 47 47 GLU HA H 1 4.002 0.02 . 1 . . . A 47 GLU HA . 30063 1 533 . 1 1 47 47 GLU HB2 H 1 2.296 0.02 . 2 . . . A 47 GLU HB2 . 30063 1 534 . 1 1 47 47 GLU HB3 H 1 1.868 0.02 . 2 . . . A 47 GLU HB3 . 30063 1 535 . 1 1 47 47 GLU HG2 H 1 2.298 0.02 . 2 . . . A 47 GLU HG2 . 30063 1 536 . 1 1 47 47 GLU HG3 H 1 2.298 0.02 . 2 . . . A 47 GLU HG3 . 30063 1 537 . 1 1 47 47 GLU C C 13 180.003 0.30 . 1 . . . A 47 GLU C . 30063 1 538 . 1 1 47 47 GLU CA C 13 59.061 0.30 . 1 . . . A 47 GLU CA . 30063 1 539 . 1 1 47 47 GLU CB C 13 29.886 0.30 . 1 . . . A 47 GLU CB . 30063 1 540 . 1 1 47 47 GLU CG C 13 37.681 0.30 . 1 . . . A 47 GLU CG . 30063 1 541 . 1 1 47 47 GLU N N 15 118.729 0.30 . 1 . . . A 47 GLU N . 30063 1 542 . 1 1 48 48 LEU H H 1 8.132 0.02 . 1 . . . A 48 LEU H . 30063 1 543 . 1 1 48 48 LEU HA H 1 4.013 0.02 . 1 . . . A 48 LEU HA . 30063 1 544 . 1 1 48 48 LEU HB2 H 1 2.020 0.02 . 2 . . . A 48 LEU HB2 . 30063 1 545 . 1 1 48 48 LEU HB3 H 1 1.205 0.02 . 2 . . . A 48 LEU HB3 . 30063 1 546 . 1 1 48 48 LEU HG H 1 1.713 0.02 . 1 . . . A 48 LEU HG . 30063 1 547 . 1 1 48 48 LEU HD11 H 1 0.810 0.02 . 2 . . . A 48 LEU HD11 . 30063 1 548 . 1 1 48 48 LEU HD12 H 1 0.810 0.02 . 2 . . . A 48 LEU HD12 . 30063 1 549 . 1 1 48 48 LEU HD13 H 1 0.810 0.02 . 2 . . . A 48 LEU HD13 . 30063 1 550 . 1 1 48 48 LEU HD21 H 1 0.732 0.02 . 2 . . . A 48 LEU HD21 . 30063 1 551 . 1 1 48 48 LEU HD22 H 1 0.732 0.02 . 2 . . . A 48 LEU HD22 . 30063 1 552 . 1 1 48 48 LEU HD23 H 1 0.732 0.02 . 2 . . . A 48 LEU HD23 . 30063 1 553 . 1 1 48 48 LEU C C 13 178.552 0.30 . 1 . . . A 48 LEU C . 30063 1 554 . 1 1 48 48 LEU CA C 13 57.925 0.30 . 1 . . . A 48 LEU CA . 30063 1 555 . 1 1 48 48 LEU CB C 13 42.430 0.30 . 1 . . . A 48 LEU CB . 30063 1 556 . 1 1 48 48 LEU CG C 13 27.117 0.30 . 1 . . . A 48 LEU CG . 30063 1 557 . 1 1 48 48 LEU CD1 C 13 26.155 0.30 . 2 . . . A 48 LEU CD1 . 30063 1 558 . 1 1 48 48 LEU CD2 C 13 23.403 0.30 . 2 . . . A 48 LEU CD2 . 30063 1 559 . 1 1 48 48 LEU N N 15 120.090 0.30 . 1 . . . A 48 LEU N . 30063 1 560 . 1 1 49 49 GLN H H 1 8.145 0.02 . 1 . . . A 49 GLN H . 30063 1 561 . 1 1 49 49 GLN HA H 1 3.801 0.02 . 1 . . . A 49 GLN HA . 30063 1 562 . 1 1 49 49 GLN HB2 H 1 2.184 0.02 . 2 . . . A 49 GLN HB2 . 30063 1 563 . 1 1 49 49 GLN HB3 H 1 2.136 0.02 . 2 . . . A 49 GLN HB3 . 30063 1 564 . 1 1 49 49 GLN HG2 H 1 2.414 0.02 . 2 . . . A 49 GLN HG2 . 30063 1 565 . 1 1 49 49 GLN HG3 H 1 2.444 0.02 . 2 . . . A 49 GLN HG3 . 30063 1 566 . 1 1 49 49 GLN HE21 H 1 7.447 0.02 . 1 . . . A 49 GLN HE21 . 30063 1 567 . 1 1 49 49 GLN HE22 H 1 6.860 0.02 . 1 . . . A 49 GLN HE22 . 30063 1 568 . 1 1 49 49 GLN C C 13 178.489 0.30 . 1 . . . A 49 GLN C . 30063 1 569 . 1 1 49 49 GLN CA C 13 58.710 0.30 . 1 . . . A 49 GLN CA . 30063 1 570 . 1 1 49 49 GLN CB C 13 28.207 0.30 . 1 . . . A 49 GLN CB . 30063 1 571 . 1 1 49 49 GLN CG C 13 34.268 0.30 . 1 . . . A 49 GLN CG . 30063 1 572 . 1 1 49 49 GLN CD C 13 180.171 0.30 . 1 . . . A 49 GLN CD . 30063 1 573 . 1 1 49 49 GLN N N 15 118.190 0.30 . 1 . . . A 49 GLN N . 30063 1 574 . 1 1 49 49 GLN NE2 N 15 112.765 0.30 . 1 . . . A 49 GLN NE2 . 30063 1 575 . 1 1 50 50 ASP H H 1 8.023 0.02 . 1 . . . A 50 ASP H . 30063 1 576 . 1 1 50 50 ASP HA H 1 4.409 0.02 . 1 . . . A 50 ASP HA . 30063 1 577 . 1 1 50 50 ASP HB2 H 1 2.666 0.02 . 2 . . . A 50 ASP HB2 . 30063 1 578 . 1 1 50 50 ASP HB3 H 1 2.785 0.02 . 2 . . . A 50 ASP HB3 . 30063 1 579 . 1 1 50 50 ASP C C 13 178.739 0.30 . 1 . . . A 50 ASP C . 30063 1 580 . 1 1 50 50 ASP CA C 13 57.629 0.30 . 1 . . . A 50 ASP CA . 30063 1 581 . 1 1 50 50 ASP CB C 13 40.422 0.30 . 1 . . . A 50 ASP CB . 30063 1 582 . 1 1 50 50 ASP N N 15 120.066 0.30 . 1 . . . A 50 ASP N . 30063 1 583 . 1 1 51 51 MET H H 1 7.861 0.02 . 1 . . . A 51 MET H . 30063 1 584 . 1 1 51 51 MET HA H 1 4.046 0.02 . 1 . . . A 51 MET HA . 30063 1 585 . 1 1 51 51 MET HB2 H 1 1.861 0.02 . 2 . . . A 51 MET HB2 . 30063 1 586 . 1 1 51 51 MET HB3 H 1 2.196 0.02 . 2 . . . A 51 MET HB3 . 30063 1 587 . 1 1 51 51 MET HG2 H 1 2.738 0.02 . 2 . . . A 51 MET HG2 . 30063 1 588 . 1 1 51 51 MET HG3 H 1 2.738 0.02 . 2 . . . A 51 MET HG3 . 30063 1 589 . 1 1 51 51 MET HE1 H 1 1.881 0.02 . 1 . . . A 51 MET HE1 . 30063 1 590 . 1 1 51 51 MET HE2 H 1 1.881 0.02 . 1 . . . A 51 MET HE2 . 30063 1 591 . 1 1 51 51 MET HE3 H 1 1.881 0.02 . 1 . . . A 51 MET HE3 . 30063 1 592 . 1 1 51 51 MET C C 13 179.100 0.30 . 1 . . . A 51 MET C . 30063 1 593 . 1 1 51 51 MET CA C 13 59.623 0.30 . 1 . . . A 51 MET CA . 30063 1 594 . 1 1 51 51 MET CB C 13 33.480 0.30 . 1 . . . A 51 MET CB . 30063 1 595 . 1 1 51 51 MET CG C 13 32.342 0.30 . 1 . . . A 51 MET CG . 30063 1 596 . 1 1 51 51 MET CE C 13 17.403 0.30 . 1 . . . A 51 MET CE . 30063 1 597 . 1 1 51 51 MET N N 15 119.437 0.30 . 1 . . . A 51 MET N . 30063 1 598 . 1 1 52 52 ILE H H 1 7.741 0.02 . 1 . . . A 52 ILE H . 30063 1 599 . 1 1 52 52 ILE HA H 1 3.648 0.02 . 1 . . . A 52 ILE HA . 30063 1 600 . 1 1 52 52 ILE HB H 1 1.989 0.02 . 1 . . . A 52 ILE HB . 30063 1 601 . 1 1 52 52 ILE HG12 H 1 1.570 0.02 . 2 . . . A 52 ILE HG12 . 30063 1 602 . 1 1 52 52 ILE HG13 H 1 1.174 0.02 . 2 . . . A 52 ILE HG13 . 30063 1 603 . 1 1 52 52 ILE HG21 H 1 0.717 0.02 . 1 . . . A 52 ILE HG21 . 30063 1 604 . 1 1 52 52 ILE HG22 H 1 0.717 0.02 . 1 . . . A 52 ILE HG22 . 30063 1 605 . 1 1 52 52 ILE HG23 H 1 0.717 0.02 . 1 . . . A 52 ILE HG23 . 30063 1 606 . 1 1 52 52 ILE HD11 H 1 0.690 0.02 . 1 . . . A 52 ILE HD11 . 30063 1 607 . 1 1 52 52 ILE HD12 H 1 0.690 0.02 . 1 . . . A 52 ILE HD12 . 30063 1 608 . 1 1 52 52 ILE HD13 H 1 0.690 0.02 . 1 . . . A 52 ILE HD13 . 30063 1 609 . 1 1 52 52 ILE C C 13 177.969 0.30 . 1 . . . A 52 ILE C . 30063 1 610 . 1 1 52 52 ILE CA C 13 64.123 0.30 . 1 . . . A 52 ILE CA . 30063 1 611 . 1 1 52 52 ILE CB C 13 37.003 0.30 . 1 . . . A 52 ILE CB . 30063 1 612 . 1 1 52 52 ILE CG1 C 13 28.936 0.30 . 1 . . . A 52 ILE CG1 . 30063 1 613 . 1 1 52 52 ILE CG2 C 13 16.227 0.30 . 1 . . . A 52 ILE CG2 . 30063 1 614 . 1 1 52 52 ILE CD1 C 13 12.122 0.30 . 1 . . . A 52 ILE CD1 . 30063 1 615 . 1 1 52 52 ILE N N 15 118.559 0.30 . 1 . . . A 52 ILE N . 30063 1 616 . 1 1 53 53 ASN H H 1 8.598 0.02 . 1 . . . A 53 ASN H . 30063 1 617 . 1 1 53 53 ASN HA H 1 4.391 0.02 . 1 . . . A 53 ASN HA . 30063 1 618 . 1 1 53 53 ASN HB2 H 1 2.869 0.02 . 1 . . . A 53 ASN HB2 . 30063 1 619 . 1 1 53 53 ASN HB3 H 1 2.997 0.02 . 1 . . . A 53 ASN HB3 . 30063 1 620 . 1 1 53 53 ASN HD21 H 1 7.796 0.02 . 1 . . . A 53 ASN HD21 . 30063 1 621 . 1 1 53 53 ASN HD22 H 1 6.893 0.02 . 1 . . . A 53 ASN HD22 . 30063 1 622 . 1 1 53 53 ASN C C 13 177.333 0.30 . 1 . . . A 53 ASN C . 30063 1 623 . 1 1 53 53 ASN CA C 13 56.060 0.30 . 1 . . . A 53 ASN CA . 30063 1 624 . 1 1 53 53 ASN CB C 13 38.195 0.30 . 1 . . . A 53 ASN CB . 30063 1 625 . 1 1 53 53 ASN CG C 13 176.350 0.30 . 1 . . . A 53 ASN CG . 30063 1 626 . 1 1 53 53 ASN N N 15 118.001 0.30 . 1 . . . A 53 ASN N . 30063 1 627 . 1 1 53 53 ASN ND2 N 15 111.642 0.30 . 1 . . . A 53 ASN ND2 . 30063 1 628 . 1 1 54 54 GLU H H 1 7.579 0.02 . 1 . . . A 54 GLU H . 30063 1 629 . 1 1 54 54 GLU HA H 1 4.040 0.02 . 1 . . . A 54 GLU HA . 30063 1 630 . 1 1 54 54 GLU HB2 H 1 2.164 0.02 . 2 . . . A 54 GLU HB2 . 30063 1 631 . 1 1 54 54 GLU HB3 H 1 2.034 0.02 . 2 . . . A 54 GLU HB3 . 30063 1 632 . 1 1 54 54 GLU HG2 H 1 2.412 0.02 . 2 . . . A 54 GLU HG2 . 30063 1 633 . 1 1 54 54 GLU HG3 H 1 2.294 0.02 . 2 . . . A 54 GLU HG3 . 30063 1 634 . 1 1 54 54 GLU C C 13 177.334 0.30 . 1 . . . A 54 GLU C . 30063 1 635 . 1 1 54 54 GLU CA C 13 59.905 0.30 . 1 . . . A 54 GLU CA . 30063 1 636 . 1 1 54 54 GLU CB C 13 30.353 0.30 . 1 . . . A 54 GLU CB . 30063 1 637 . 1 1 54 54 GLU CG C 13 36.225 0.30 . 1 . . . A 54 GLU CG . 30063 1 638 . 1 1 54 54 GLU N N 15 116.380 0.30 . 1 . . . A 54 GLU N . 30063 1 639 . 1 1 55 55 VAL H H 1 7.183 0.02 . 1 . . . A 55 VAL H . 30063 1 640 . 1 1 55 55 VAL HA H 1 4.304 0.02 . 1 . . . A 55 VAL HA . 30063 1 641 . 1 1 55 55 VAL HB H 1 2.247 0.02 . 1 . . . A 55 VAL HB . 30063 1 642 . 1 1 55 55 VAL HG11 H 1 0.824 0.02 . 2 . . . A 55 VAL HG11 . 30063 1 643 . 1 1 55 55 VAL HG12 H 1 0.824 0.02 . 2 . . . A 55 VAL HG12 . 30063 1 644 . 1 1 55 55 VAL HG13 H 1 0.824 0.02 . 2 . . . A 55 VAL HG13 . 30063 1 645 . 1 1 55 55 VAL HG21 H 1 0.901 0.02 . 2 . . . A 55 VAL HG21 . 30063 1 646 . 1 1 55 55 VAL HG22 H 1 0.901 0.02 . 2 . . . A 55 VAL HG22 . 30063 1 647 . 1 1 55 55 VAL HG23 H 1 0.901 0.02 . 2 . . . A 55 VAL HG23 . 30063 1 648 . 1 1 55 55 VAL C C 13 175.581 0.30 . 1 . . . A 55 VAL C . 30063 1 649 . 1 1 55 55 VAL CA C 13 61.030 0.30 . 1 . . . A 55 VAL CA . 30063 1 650 . 1 1 55 55 VAL CB C 13 33.136 0.30 . 1 . . . A 55 VAL CB . 30063 1 651 . 1 1 55 55 VAL CG1 C 13 22.223 0.30 . 2 . . . A 55 VAL CG1 . 30063 1 652 . 1 1 55 55 VAL CG2 C 13 20.509 0.30 . 2 . . . A 55 VAL CG2 . 30063 1 653 . 1 1 55 55 VAL N N 15 110.718 0.30 . 1 . . . A 55 VAL N . 30063 1 654 . 1 1 56 56 ASP H H 1 7.682 0.02 . 1 . . . A 56 ASP H . 30063 1 655 . 1 1 56 56 ASP HA H 1 4.539 0.02 . 1 . . . A 56 ASP HA . 30063 1 656 . 1 1 56 56 ASP HB2 H 1 2.735 0.02 . 2 . . . A 56 ASP HB2 . 30063 1 657 . 1 1 56 56 ASP HB3 H 1 2.527 0.02 . 2 . . . A 56 ASP HB3 . 30063 1 658 . 1 1 56 56 ASP C C 13 176.067 0.30 . 1 . . . A 56 ASP C . 30063 1 659 . 1 1 56 56 ASP CA C 13 53.900 0.30 . 1 . . . A 56 ASP CA . 30063 1 660 . 1 1 56 56 ASP CB C 13 40.431 0.30 . 1 . . . A 56 ASP CB . 30063 1 661 . 1 1 56 56 ASP N N 15 121.486 0.30 . 1 . . . A 56 ASP N . 30063 1 662 . 1 1 57 57 ALA H H 1 8.249 0.02 . 1 . . . A 57 ALA H . 30063 1 663 . 1 1 57 57 ALA HA H 1 4.201 0.02 . 1 . . . A 57 ALA HA . 30063 1 664 . 1 1 57 57 ALA HB1 H 1 1.519 0.02 . 1 . . . A 57 ALA HB1 . 30063 1 665 . 1 1 57 57 ALA HB2 H 1 1.519 0.02 . 1 . . . A 57 ALA HB2 . 30063 1 666 . 1 1 57 57 ALA HB3 H 1 1.519 0.02 . 1 . . . A 57 ALA HB3 . 30063 1 667 . 1 1 57 57 ALA C C 13 178.211 0.30 . 1 . . . A 57 ALA C . 30063 1 668 . 1 1 57 57 ALA CA C 13 54.342 0.30 . 1 . . . A 57 ALA CA . 30063 1 669 . 1 1 57 57 ALA CB C 13 19.746 0.30 . 1 . . . A 57 ALA CB . 30063 1 670 . 1 1 57 57 ALA N N 15 131.564 0.30 . 1 . . . A 57 ALA N . 30063 1 671 . 1 1 58 58 ASP H H 1 8.182 0.02 . 1 . . . A 58 ASP H . 30063 1 672 . 1 1 58 58 ASP HA H 1 4.611 0.02 . 1 . . . A 58 ASP HA . 30063 1 673 . 1 1 58 58 ASP HB2 H 1 3.035 0.02 . 2 . . . A 58 ASP HB2 . 30063 1 674 . 1 1 58 58 ASP HB3 H 1 2.653 0.02 . 2 . . . A 58 ASP HB3 . 30063 1 675 . 1 1 58 58 ASP C C 13 177.916 0.30 . 1 . . . A 58 ASP C . 30063 1 676 . 1 1 58 58 ASP CA C 13 52.890 0.30 . 1 . . . A 58 ASP CA . 30063 1 677 . 1 1 58 58 ASP CB C 13 39.936 0.30 . 1 . . . A 58 ASP CB . 30063 1 678 . 1 1 58 58 ASP N N 15 113.929 0.30 . 1 . . . A 58 ASP N . 30063 1 679 . 1 1 59 59 GLY H H 1 7.554 0.02 . 1 . . . A 59 GLY H . 30063 1 680 . 1 1 59 59 GLY HA2 H 1 3.789 0.02 . 2 . . . A 59 GLY HA2 . 30063 1 681 . 1 1 59 59 GLY HA3 H 1 3.890 0.02 . 2 . . . A 59 GLY HA3 . 30063 1 682 . 1 1 59 59 GLY C C 13 174.952 0.30 . 1 . . . A 59 GLY C . 30063 1 683 . 1 1 59 59 GLY CA C 13 47.249 0.30 . 1 . . . A 59 GLY CA . 30063 1 684 . 1 1 59 59 GLY N N 15 108.403 0.30 . 1 . . . A 59 GLY N . 30063 1 685 . 1 1 60 60 ASN H H 1 8.100 0.02 . 1 . . . A 60 ASN H . 30063 1 686 . 1 1 60 60 ASN HA H 1 4.618 0.02 . 1 . . . A 60 ASN HA . 30063 1 687 . 1 1 60 60 ASN HB2 H 1 3.290 0.02 . 1 . . . A 60 ASN HB2 . 30063 1 688 . 1 1 60 60 ASN HB3 H 1 2.645 0.02 . 1 . . . A 60 ASN HB3 . 30063 1 689 . 1 1 60 60 ASN HD21 H 1 6.961 0.02 . 1 . . . A 60 ASN HD21 . 30063 1 690 . 1 1 60 60 ASN HD22 H 1 7.704 0.02 . 1 . . . A 60 ASN HD22 . 30063 1 691 . 1 1 60 60 ASN C C 13 176.836 0.30 . 1 . . . A 60 ASN C . 30063 1 692 . 1 1 60 60 ASN CA C 13 52.831 0.30 . 1 . . . A 60 ASN CA . 30063 1 693 . 1 1 60 60 ASN CB C 13 37.713 0.30 . 1 . . . A 60 ASN CB . 30063 1 694 . 1 1 60 60 ASN N N 15 118.608 0.30 . 1 . . . A 60 ASN N . 30063 1 695 . 1 1 60 60 ASN ND2 N 15 115.176 0.30 . 1 . . . A 60 ASN ND2 . 30063 1 696 . 1 1 61 61 GLY H H 1 10.540 0.02 . 1 . . . A 61 GLY H . 30063 1 697 . 1 1 61 61 GLY HA2 H 1 3.476 0.02 . 2 . . . A 61 GLY HA2 . 30063 1 698 . 1 1 61 61 GLY HA3 H 1 4.219 0.02 . 2 . . . A 61 GLY HA3 . 30063 1 699 . 1 1 61 61 GLY C C 13 173.257 0.30 . 1 . . . A 61 GLY C . 30063 1 700 . 1 1 61 61 GLY CA C 13 45.671 0.30 . 1 . . . A 61 GLY CA . 30063 1 701 . 1 1 61 61 GLY N N 15 113.377 0.30 . 1 . . . A 61 GLY N . 30063 1 702 . 1 1 62 62 THR H H 1 7.660 0.02 . 1 . . . A 62 THR H . 30063 1 703 . 1 1 62 62 THR HA H 1 4.773 0.02 . 1 . . . A 62 THR HA . 30063 1 704 . 1 1 62 62 THR HB H 1 4.000 0.02 . 1 . . . A 62 THR HB . 30063 1 705 . 1 1 62 62 THR HG21 H 1 1.107 0.02 . 1 . . . A 62 THR HG21 . 30063 1 706 . 1 1 62 62 THR HG22 H 1 1.107 0.02 . 1 . . . A 62 THR HG22 . 30063 1 707 . 1 1 62 62 THR HG23 H 1 1.107 0.02 . 1 . . . A 62 THR HG23 . 30063 1 708 . 1 1 62 62 THR C C 13 173.236 0.30 . 1 . . . A 62 THR C . 30063 1 709 . 1 1 62 62 THR CA C 13 59.623 0.30 . 1 . . . A 62 THR CA . 30063 1 710 . 1 1 62 62 THR CB C 13 71.957 0.30 . 1 . . . A 62 THR CB . 30063 1 711 . 1 1 62 62 THR CG2 C 13 22.494 0.30 . 1 . . . A 62 THR CG2 . 30063 1 712 . 1 1 62 62 THR N N 15 108.672 0.30 . 1 . . . A 62 THR N . 30063 1 713 . 1 1 63 63 ILE H H 1 8.844 0.02 . 1 . . . A 63 ILE H . 30063 1 714 . 1 1 63 63 ILE HA H 1 5.220 0.02 . 1 . . . A 63 ILE HA . 30063 1 715 . 1 1 63 63 ILE HB H 1 2.163 0.02 . 1 . . . A 63 ILE HB . 30063 1 716 . 1 1 63 63 ILE HG12 H 1 1.563 0.02 . 2 . . . A 63 ILE HG12 . 30063 1 717 . 1 1 63 63 ILE HG13 H 1 1.563 0.02 . 2 . . . A 63 ILE HG13 . 30063 1 718 . 1 1 63 63 ILE HG21 H 1 1.245 0.02 . 1 . . . A 63 ILE HG21 . 30063 1 719 . 1 1 63 63 ILE HG22 H 1 1.245 0.02 . 1 . . . A 63 ILE HG22 . 30063 1 720 . 1 1 63 63 ILE HG23 H 1 1.245 0.02 . 1 . . . A 63 ILE HG23 . 30063 1 721 . 1 1 63 63 ILE HD11 H 1 0.877 0.02 . 1 . . . A 63 ILE HD11 . 30063 1 722 . 1 1 63 63 ILE HD12 H 1 0.877 0.02 . 1 . . . A 63 ILE HD12 . 30063 1 723 . 1 1 63 63 ILE HD13 H 1 0.877 0.02 . 1 . . . A 63 ILE HD13 . 30063 1 724 . 1 1 63 63 ILE C C 13 175.564 0.30 . 1 . . . A 63 ILE C . 30063 1 725 . 1 1 63 63 ILE CA C 13 59.369 0.30 . 1 . . . A 63 ILE CA . 30063 1 726 . 1 1 63 63 ILE CB C 13 39.122 0.30 . 1 . . . A 63 ILE CB . 30063 1 727 . 1 1 63 63 ILE CG1 C 13 27.551 0.30 . 1 . . . A 63 ILE CG1 . 30063 1 728 . 1 1 63 63 ILE CG2 C 13 18.381 0.30 . 1 . . . A 63 ILE CG2 . 30063 1 729 . 1 1 63 63 ILE CD1 C 13 12.936 0.30 . 1 . . . A 63 ILE CD1 . 30063 1 730 . 1 1 63 63 ILE N N 15 123.998 0.30 . 1 . . . A 63 ILE N . 30063 1 731 . 1 1 64 64 ASP H H 1 8.856 0.02 . 1 . . . A 64 ASP H . 30063 1 732 . 1 1 64 64 ASP HA H 1 5.428 0.02 . 1 . . . A 64 ASP HA . 30063 1 733 . 1 1 64 64 ASP HB2 H 1 2.816 0.02 . 2 . . . A 64 ASP HB2 . 30063 1 734 . 1 1 64 64 ASP HB3 H 1 3.103 0.02 . 2 . . . A 64 ASP HB3 . 30063 1 735 . 1 1 64 64 ASP C C 13 176.226 0.30 . 1 . . . A 64 ASP C . 30063 1 736 . 1 1 64 64 ASP CA C 13 52.220 0.30 . 1 . . . A 64 ASP CA . 30063 1 737 . 1 1 64 64 ASP CB C 13 42.308 0.30 . 1 . . . A 64 ASP CB . 30063 1 738 . 1 1 64 64 ASP N N 15 128.271 0.30 . 1 . . . A 64 ASP N . 30063 1 739 . 1 1 65 65 PHE H H 1 8.916 0.02 . 1 . . . A 65 PHE H . 30063 1 740 . 1 1 65 65 PHE HA H 1 3.979 0.02 . 1 . . . A 65 PHE HA . 30063 1 741 . 1 1 65 65 PHE HB2 H 1 2.806 0.02 . 2 . . . A 65 PHE HB2 . 30063 1 742 . 1 1 65 65 PHE HB3 H 1 2.096 0.02 . 2 . . . A 65 PHE HB3 . 30063 1 743 . 1 1 65 65 PHE HD1 H 1 6.735 0.02 . 3 . . . A 65 PHE HD1 . 30063 1 744 . 1 1 65 65 PHE HD2 H 1 6.728 0.02 . 3 . . . A 65 PHE HD2 . 30063 1 745 . 1 1 65 65 PHE HE1 H 1 7.728 0.02 . 3 . . . A 65 PHE HE1 . 30063 1 746 . 1 1 65 65 PHE C C 13 176.488 0.30 . 1 . . . A 65 PHE C . 30063 1 747 . 1 1 65 65 PHE CA C 13 63.283 0.30 . 1 . . . A 65 PHE CA . 30063 1 748 . 1 1 65 65 PHE CB C 13 35.998 0.30 . 1 . . . A 65 PHE CB . 30063 1 749 . 1 1 65 65 PHE CD1 C 13 132.585 0.30 . 1 . . . A 65 PHE CD1 . 30063 1 750 . 1 1 65 65 PHE CD2 C 13 132.585 0.30 . 1 . . . A 65 PHE CD2 . 30063 1 751 . 1 1 65 65 PHE N N 15 118.746 0.30 . 1 . . . A 65 PHE N . 30063 1 752 . 1 1 66 66 PRO HA H 1 3.849 0.02 . 1 . . . A 66 PRO HA . 30063 1 753 . 1 1 66 66 PRO HB2 H 1 2.216 0.02 . 2 . . . A 66 PRO HB2 . 30063 1 754 . 1 1 66 66 PRO HB3 H 1 1.890 0.02 . 2 . . . A 66 PRO HB3 . 30063 1 755 . 1 1 66 66 PRO HG2 H 1 2.173 0.02 . 2 . . . A 66 PRO HG2 . 30063 1 756 . 1 1 66 66 PRO HG3 H 1 1.887 0.02 . 2 . . . A 66 PRO HG3 . 30063 1 757 . 1 1 66 66 PRO HD2 H 1 3.753 0.02 . 2 . . . A 66 PRO HD2 . 30063 1 758 . 1 1 66 66 PRO HD3 H 1 3.862 0.02 . 2 . . . A 66 PRO HD3 . 30063 1 759 . 1 1 66 66 PRO C C 13 179.989 0.30 . 1 . . . A 66 PRO C . 30063 1 760 . 1 1 66 66 PRO CA C 13 66.847 0.30 . 1 . . . A 66 PRO CA . 30063 1 761 . 1 1 66 66 PRO CB C 13 30.936 0.30 . 1 . . . A 66 PRO CB . 30063 1 762 . 1 1 66 66 PRO CG C 13 28.572 0.30 . 1 . . . A 66 PRO CG . 30063 1 763 . 1 1 66 66 PRO CD C 13 49.169 0.30 . 1 . . . A 66 PRO CD . 30063 1 764 . 1 1 67 67 GLU H H 1 8.065 0.02 . 1 . . . A 67 GLU H . 30063 1 765 . 1 1 67 67 GLU HA H 1 4.047 0.02 . 1 . . . A 67 GLU HA . 30063 1 766 . 1 1 67 67 GLU HB2 H 1 2.035 0.02 . 2 . . . A 67 GLU HB2 . 30063 1 767 . 1 1 67 67 GLU HB3 H 1 1.835 0.02 . 2 . . . A 67 GLU HB3 . 30063 1 768 . 1 1 67 67 GLU HG2 H 1 2.958 0.02 . 2 . . . A 67 GLU HG2 . 30063 1 769 . 1 1 67 67 GLU HG3 H 1 2.408 0.02 . 2 . . . A 67 GLU HG3 . 30063 1 770 . 1 1 67 67 GLU C C 13 179.122 0.30 . 1 . . . A 67 GLU C . 30063 1 771 . 1 1 67 67 GLU CA C 13 59.032 0.30 . 1 . . . A 67 GLU CA . 30063 1 772 . 1 1 67 67 GLU CB C 13 29.861 0.30 . 1 . . . A 67 GLU CB . 30063 1 773 . 1 1 67 67 GLU CG C 13 37.328 0.30 . 1 . . . A 67 GLU CG . 30063 1 774 . 1 1 67 67 GLU N N 15 117.746 0.30 . 1 . . . A 67 GLU N . 30063 1 775 . 1 1 68 68 PHE H H 1 8.695 0.02 . 1 . . . A 68 PHE H . 30063 1 776 . 1 1 68 68 PHE HA H 1 3.848 0.02 . 1 . . . A 68 PHE HA . 30063 1 777 . 1 1 68 68 PHE HB2 H 1 3.136 0.02 . 2 . . . A 68 PHE HB2 . 30063 1 778 . 1 1 68 68 PHE HB3 H 1 3.447 0.02 . 2 . . . A 68 PHE HB3 . 30063 1 779 . 1 1 68 68 PHE HD1 H 1 6.888 0.02 . 3 . . . A 68 PHE HD1 . 30063 1 780 . 1 1 68 68 PHE HD2 H 1 6.893 0.02 . 3 . . . A 68 PHE HD2 . 30063 1 781 . 1 1 68 68 PHE C C 13 176.832 0.30 . 1 . . . A 68 PHE C . 30063 1 782 . 1 1 68 68 PHE CA C 13 61.517 0.30 . 1 . . . A 68 PHE CA . 30063 1 783 . 1 1 68 68 PHE CB C 13 40.416 0.30 . 1 . . . A 68 PHE CB . 30063 1 784 . 1 1 68 68 PHE CD1 C 13 132.246 0.30 . 1 . . . A 68 PHE CD1 . 30063 1 785 . 1 1 68 68 PHE CD2 C 13 132.246 0.30 . 1 . . . A 68 PHE CD2 . 30063 1 786 . 1 1 68 68 PHE N N 15 123.656 0.30 . 1 . . . A 68 PHE N . 30063 1 787 . 1 1 69 69 LEU H H 1 8.660 0.02 . 1 . . . A 69 LEU H . 30063 1 788 . 1 1 69 69 LEU HA H 1 3.332 0.02 . 1 . . . A 69 LEU HA . 30063 1 789 . 1 1 69 69 LEU HB2 H 1 1.196 0.02 . 2 . . . A 69 LEU HB2 . 30063 1 790 . 1 1 69 69 LEU HB3 H 1 1.328 0.02 . 2 . . . A 69 LEU HB3 . 30063 1 791 . 1 1 69 69 LEU HG H 1 1.050 0.02 . 1 . . . A 69 LEU HG . 30063 1 792 . 1 1 69 69 LEU HD11 H 1 0.634 0.02 . 2 . . . A 69 LEU HD11 . 30063 1 793 . 1 1 69 69 LEU HD12 H 1 0.634 0.02 . 2 . . . A 69 LEU HD12 . 30063 1 794 . 1 1 69 69 LEU HD13 H 1 0.634 0.02 . 2 . . . A 69 LEU HD13 . 30063 1 795 . 1 1 69 69 LEU HD21 H 1 0.646 0.02 . 2 . . . A 69 LEU HD21 . 30063 1 796 . 1 1 69 69 LEU HD22 H 1 0.646 0.02 . 2 . . . A 69 LEU HD22 . 30063 1 797 . 1 1 69 69 LEU HD23 H 1 0.646 0.02 . 2 . . . A 69 LEU HD23 . 30063 1 798 . 1 1 69 69 LEU C C 13 178.885 0.30 . 1 . . . A 69 LEU C . 30063 1 799 . 1 1 69 69 LEU CA C 13 57.992 0.30 . 1 . . . A 69 LEU CA . 30063 1 800 . 1 1 69 69 LEU CB C 13 41.223 0.30 . 1 . . . A 69 LEU CB . 30063 1 801 . 1 1 69 69 LEU CG C 13 26.150 0.30 . 1 . . . A 69 LEU CG . 30063 1 802 . 1 1 69 69 LEU CD1 C 13 25.558 0.30 . 2 . . . A 69 LEU CD1 . 30063 1 803 . 1 1 69 69 LEU CD2 C 13 24.471 0.30 . 2 . . . A 69 LEU CD2 . 30063 1 804 . 1 1 69 69 LEU N N 15 119.417 0.30 . 1 . . . A 69 LEU N . 30063 1 805 . 1 1 70 70 THR H H 1 7.630 0.02 . 1 . . . A 70 THR H . 30063 1 806 . 1 1 70 70 THR HA H 1 3.742 0.02 . 1 . . . A 70 THR HA . 30063 1 807 . 1 1 70 70 THR HB H 1 4.207 0.02 . 1 . . . A 70 THR HB . 30063 1 808 . 1 1 70 70 THR HG21 H 1 1.173 0.02 . 1 . . . A 70 THR HG21 . 30063 1 809 . 1 1 70 70 THR HG22 H 1 1.173 0.02 . 1 . . . A 70 THR HG22 . 30063 1 810 . 1 1 70 70 THR HG23 H 1 1.173 0.02 . 1 . . . A 70 THR HG23 . 30063 1 811 . 1 1 70 70 THR C C 13 176.168 0.30 . 1 . . . A 70 THR C . 30063 1 812 . 1 1 70 70 THR CA C 13 66.624 0.30 . 1 . . . A 70 THR CA . 30063 1 813 . 1 1 70 70 THR CB C 13 68.568 0.30 . 1 . . . A 70 THR CB . 30063 1 814 . 1 1 70 70 THR CG2 C 13 21.934 0.30 . 1 . . . A 70 THR CG2 . 30063 1 815 . 1 1 70 70 THR N N 15 115.452 0.30 . 1 . . . A 70 THR N . 30063 1 816 . 1 1 71 71 MET H H 1 7.453 0.02 . 1 . . . A 71 MET H . 30063 1 817 . 1 1 71 71 MET HA H 1 3.794 0.02 . 1 . . . A 71 MET HA . 30063 1 818 . 1 1 71 71 MET HB2 H 1 1.852 0.02 . 2 . . . A 71 MET HB2 . 30063 1 819 . 1 1 71 71 MET HB3 H 1 1.967 0.02 . 2 . . . A 71 MET HB3 . 30063 1 820 . 1 1 71 71 MET HG2 H 1 2.257 0.02 . 2 . . . A 71 MET HG2 . 30063 1 821 . 1 1 71 71 MET HG3 H 1 1.994 0.02 . 2 . . . A 71 MET HG3 . 30063 1 822 . 1 1 71 71 MET HE1 H 1 1.628 0.02 . 1 . . . A 71 MET HE1 . 30063 1 823 . 1 1 71 71 MET HE2 H 1 1.628 0.02 . 1 . . . A 71 MET HE2 . 30063 1 824 . 1 1 71 71 MET HE3 H 1 1.628 0.02 . 1 . . . A 71 MET HE3 . 30063 1 825 . 1 1 71 71 MET C C 13 178.029 0.30 . 1 . . . A 71 MET C . 30063 1 826 . 1 1 71 71 MET CA C 13 58.773 0.30 . 1 . . . A 71 MET CA . 30063 1 827 . 1 1 71 71 MET CB C 13 32.623 0.30 . 1 . . . A 71 MET CB . 30063 1 828 . 1 1 71 71 MET CG C 13 31.498 0.30 . 1 . . . A 71 MET CG . 30063 1 829 . 1 1 71 71 MET CE C 13 17.453 0.30 . 1 . . . A 71 MET CE . 30063 1 830 . 1 1 71 71 MET N N 15 121.344 0.30 . 1 . . . A 71 MET N . 30063 1 831 . 1 1 72 72 MET H H 1 7.960 0.02 . 1 . . . A 72 MET H . 30063 1 832 . 1 1 72 72 MET HA H 1 3.877 0.02 . 1 . . . A 72 MET HA . 30063 1 833 . 1 1 72 72 MET HB2 H 1 1.080 0.02 . 2 . . . A 72 MET HB2 . 30063 1 834 . 1 1 72 72 MET HB3 H 1 1.080 0.02 . 2 . . . A 72 MET HB3 . 30063 1 835 . 1 1 72 72 MET HG2 H 1 1.293 0.02 . 2 . . . A 72 MET HG2 . 30063 1 836 . 1 1 72 72 MET HG3 H 1 1.289 0.02 . 2 . . . A 72 MET HG3 . 30063 1 837 . 1 1 72 72 MET HE1 H 1 1.319 0.02 . 1 . . . A 72 MET HE1 . 30063 1 838 . 1 1 72 72 MET HE2 H 1 1.319 0.02 . 1 . . . A 72 MET HE2 . 30063 1 839 . 1 1 72 72 MET HE3 H 1 1.319 0.02 . 1 . . . A 72 MET HE3 . 30063 1 840 . 1 1 72 72 MET C C 13 178.579 0.30 . 1 . . . A 72 MET C . 30063 1 841 . 1 1 72 72 MET CA C 13 55.931 0.30 . 1 . . . A 72 MET CA . 30063 1 842 . 1 1 72 72 MET CB C 13 30.373 0.30 . 1 . . . A 72 MET CB . 30063 1 843 . 1 1 72 72 MET CG C 13 32.288 0.30 . 1 . . . A 72 MET CG . 30063 1 844 . 1 1 72 72 MET CE C 13 17.065 0.30 . 1 . . . A 72 MET CE . 30063 1 845 . 1 1 72 72 MET N N 15 117.613 0.30 . 1 . . . A 72 MET N . 30063 1 846 . 1 1 73 73 ALA H H 1 8.239 0.02 . 1 . . . A 73 ALA H . 30063 1 847 . 1 1 73 73 ALA HA H 1 4.030 0.02 . 1 . . . A 73 ALA HA . 30063 1 848 . 1 1 73 73 ALA HB1 H 1 1.396 0.02 . 1 . . . A 73 ALA HB1 . 30063 1 849 . 1 1 73 73 ALA HB2 H 1 1.396 0.02 . 1 . . . A 73 ALA HB2 . 30063 1 850 . 1 1 73 73 ALA HB3 H 1 1.396 0.02 . 1 . . . A 73 ALA HB3 . 30063 1 851 . 1 1 73 73 ALA C C 13 179.861 0.30 . 1 . . . A 73 ALA C . 30063 1 852 . 1 1 73 73 ALA CA C 13 54.825 0.30 . 1 . . . A 73 ALA CA . 30063 1 853 . 1 1 73 73 ALA CB C 13 18.016 0.30 . 1 . . . A 73 ALA CB . 30063 1 854 . 1 1 73 73 ALA N N 15 121.824 0.30 . 1 . . . A 73 ALA N . 30063 1 855 . 1 1 74 74 ARG H H 1 7.455 0.02 . 1 . . . A 74 ARG H . 30063 1 856 . 1 1 74 74 ARG HA H 1 4.054 0.02 . 1 . . . A 74 ARG HA . 30063 1 857 . 1 1 74 74 ARG HB2 H 1 1.864 0.02 . 1 . . . A 74 ARG HB2 . 30063 1 858 . 1 1 74 74 ARG HB3 H 1 1.821 0.02 . 1 . . . A 74 ARG HB3 . 30063 1 859 . 1 1 74 74 ARG HG2 H 1 1.615 0.02 . 1 . . . A 74 ARG HG2 . 30063 1 860 . 1 1 74 74 ARG HG3 H 1 1.738 0.02 . 1 . . . A 74 ARG HG3 . 30063 1 861 . 1 1 74 74 ARG HD2 H 1 3.100 0.02 . 1 . . . A 74 ARG HD2 . 30063 1 862 . 1 1 74 74 ARG HD3 H 1 3.100 0.02 . 1 . . . A 74 ARG HD3 . 30063 1 863 . 1 1 74 74 ARG C C 13 177.938 0.30 . 1 . . . A 74 ARG C . 30063 1 864 . 1 1 74 74 ARG CA C 13 58.444 0.30 . 1 . . . A 74 ARG CA . 30063 1 865 . 1 1 74 74 ARG CB C 13 30.137 0.30 . 1 . . . A 74 ARG CB . 30063 1 866 . 1 1 74 74 ARG CG C 13 27.280 0.30 . 1 . . . A 74 ARG CG . 30063 1 867 . 1 1 74 74 ARG CD C 13 43.592 0.30 . 1 . . . A 74 ARG CD . 30063 1 868 . 1 1 74 74 ARG N N 15 116.701 0.30 . 1 . . . A 74 ARG N . 30063 1 869 . 1 1 75 75 LYS H H 1 7.609 0.02 . 1 . . . A 75 LYS H . 30063 1 870 . 1 1 75 75 LYS HA H 1 4.166 0.02 . 1 . . . A 75 LYS HA . 30063 1 871 . 1 1 75 75 LYS HB2 H 1 1.856 0.02 . 2 . . . A 75 LYS HB2 . 30063 1 872 . 1 1 75 75 LYS HB3 H 1 1.868 0.02 . 2 . . . A 75 LYS HB3 . 30063 1 873 . 1 1 75 75 LYS HG2 H 1 1.427 0.02 . 2 . . . A 75 LYS HG2 . 30063 1 874 . 1 1 75 75 LYS HG3 H 1 1.411 0.02 . 2 . . . A 75 LYS HG3 . 30063 1 875 . 1 1 75 75 LYS HD2 H 1 1.582 0.02 . 2 . . . A 75 LYS HD2 . 30063 1 876 . 1 1 75 75 LYS HD3 H 1 1.615 0.02 . 2 . . . A 75 LYS HD3 . 30063 1 877 . 1 1 75 75 LYS HE2 H 1 2.877 0.02 . 2 . . . A 75 LYS HE2 . 30063 1 878 . 1 1 75 75 LYS HE3 H 1 2.896 0.02 . 2 . . . A 75 LYS HE3 . 30063 1 879 . 1 1 75 75 LYS C C 13 177.711 0.30 . 1 . . . A 75 LYS C . 30063 1 880 . 1 1 75 75 LYS CA C 13 57.418 0.30 . 1 . . . A 75 LYS CA . 30063 1 881 . 1 1 75 75 LYS CB C 13 32.612 0.30 . 1 . . . A 75 LYS CB . 30063 1 882 . 1 1 75 75 LYS CG C 13 24.748 0.30 . 1 . . . A 75 LYS CG . 30063 1 883 . 1 1 75 75 LYS CD C 13 29.010 0.30 . 1 . . . A 75 LYS CD . 30063 1 884 . 1 1 75 75 LYS CE C 13 41.969 0.30 . 1 . . . A 75 LYS CE . 30063 1 885 . 1 1 75 75 LYS N N 15 118.457 0.30 . 1 . . . A 75 LYS N . 30063 1 886 . 1 1 76 76 MET H H 1 7.756 0.02 . 1 . . . A 76 MET H . 30063 1 887 . 1 1 76 76 MET HA H 1 4.333 0.02 . 1 . . . A 76 MET HA . 30063 1 888 . 1 1 76 76 MET HB2 H 1 2.106 0.02 . 2 . . . A 76 MET HB2 . 30063 1 889 . 1 1 76 76 MET HB3 H 1 2.171 0.02 . 2 . . . A 76 MET HB3 . 30063 1 890 . 1 1 76 76 MET HG2 H 1 2.708 0.02 . 2 . . . A 76 MET HG2 . 30063 1 891 . 1 1 76 76 MET HG3 H 1 2.640 0.02 . 2 . . . A 76 MET HG3 . 30063 1 892 . 1 1 76 76 MET HE1 H 1 2.102 0.02 . 1 . . . A 76 MET HE1 . 30063 1 893 . 1 1 76 76 MET HE2 H 1 2.102 0.02 . 1 . . . A 76 MET HE2 . 30063 1 894 . 1 1 76 76 MET HE3 H 1 2.102 0.02 . 1 . . . A 76 MET HE3 . 30063 1 895 . 1 1 76 76 MET C C 13 176.544 0.30 . 1 . . . A 76 MET C . 30063 1 896 . 1 1 76 76 MET CA C 13 56.658 0.30 . 1 . . . A 76 MET CA . 30063 1 897 . 1 1 76 76 MET CB C 13 32.953 0.30 . 1 . . . A 76 MET CB . 30063 1 898 . 1 1 76 76 MET CG C 13 32.342 0.30 . 1 . . . A 76 MET CG . 30063 1 899 . 1 1 76 76 MET CE C 13 17.155 0.30 . 1 . . . A 76 MET CE . 30063 1 900 . 1 1 76 76 MET N N 15 118.281 0.30 . 1 . . . A 76 MET N . 30063 1 901 . 1 1 77 77 LYS H H 1 7.758 0.02 . 1 . . . A 77 LYS H . 30063 1 902 . 1 1 77 77 LYS HA H 1 4.308 0.02 . 1 . . . A 77 LYS HA . 30063 1 903 . 1 1 77 77 LYS HB2 H 1 1.869 0.02 . 2 . . . A 77 LYS HB2 . 30063 1 904 . 1 1 77 77 LYS HB3 H 1 1.812 0.02 . 2 . . . A 77 LYS HB3 . 30063 1 905 . 1 1 77 77 LYS HG2 H 1 1.458 0.02 . 2 . . . A 77 LYS HG2 . 30063 1 906 . 1 1 77 77 LYS HG3 H 1 1.473 0.02 . 2 . . . A 77 LYS HG3 . 30063 1 907 . 1 1 77 77 LYS HD2 H 1 1.670 0.02 . 2 . . . A 77 LYS HD2 . 30063 1 908 . 1 1 77 77 LYS HD3 H 1 1.621 0.02 . 2 . . . A 77 LYS HD3 . 30063 1 909 . 1 1 77 77 LYS HE2 H 1 2.988 0.02 . 2 . . . A 77 LYS HE2 . 30063 1 910 . 1 1 77 77 LYS HE3 H 1 2.988 0.02 . 2 . . . A 77 LYS HE3 . 30063 1 911 . 1 1 77 77 LYS C C 13 176.417 0.30 . 1 . . . A 77 LYS C . 30063 1 912 . 1 1 77 77 LYS CA C 13 56.592 0.30 . 1 . . . A 77 LYS CA . 30063 1 913 . 1 1 77 77 LYS CB C 13 33.148 0.30 . 1 . . . A 77 LYS CB . 30063 1 914 . 1 1 77 77 LYS CG C 13 24.526 0.30 . 1 . . . A 77 LYS CG . 30063 1 915 . 1 1 77 77 LYS CD C 13 29.031 0.30 . 1 . . . A 77 LYS CD . 30063 1 916 . 1 1 77 77 LYS CE C 13 42.261 0.30 . 1 . . . A 77 LYS CE . 30063 1 917 . 1 1 77 77 LYS N N 15 120.482 0.30 . 1 . . . A 77 LYS N . 30063 1 918 . 1 1 78 78 ASP H H 1 8.177 0.02 . 1 . . . A 78 ASP H . 30063 1 919 . 1 1 78 78 ASP HA H 1 4.674 0.02 . 1 . . . A 78 ASP HA . 30063 1 920 . 1 1 78 78 ASP HB2 H 1 2.758 0.02 . 2 . . . A 78 ASP HB2 . 30063 1 921 . 1 1 78 78 ASP HB3 H 1 2.629 0.02 . 2 . . . A 78 ASP HB3 . 30063 1 922 . 1 1 78 78 ASP C C 13 176.380 0.30 . 1 . . . A 78 ASP C . 30063 1 923 . 1 1 78 78 ASP CA C 13 54.682 0.30 . 1 . . . A 78 ASP CA . 30063 1 924 . 1 1 78 78 ASP CB C 13 41.061 0.30 . 1 . . . A 78 ASP CB . 30063 1 925 . 1 1 78 78 ASP N N 15 120.975 0.30 . 1 . . . A 78 ASP N . 30063 1 926 . 1 1 79 79 THR H H 1 7.979 0.02 . 1 . . . A 79 THR H . 30063 1 927 . 1 1 79 79 THR HA H 1 4.319 0.02 . 1 . . . A 79 THR HA . 30063 1 928 . 1 1 79 79 THR HB H 1 4.200 0.02 . 1 . . . A 79 THR HB . 30063 1 929 . 1 1 79 79 THR HG21 H 1 1.202 0.02 . 1 . . . A 79 THR HG21 . 30063 1 930 . 1 1 79 79 THR HG22 H 1 1.202 0.02 . 1 . . . A 79 THR HG22 . 30063 1 931 . 1 1 79 79 THR HG23 H 1 1.202 0.02 . 1 . . . A 79 THR HG23 . 30063 1 932 . 1 1 79 79 THR C C 13 174.148 0.30 . 1 . . . A 79 THR C . 30063 1 933 . 1 1 79 79 THR CA C 13 62.131 0.30 . 1 . . . A 79 THR CA . 30063 1 934 . 1 1 79 79 THR CB C 13 70.064 0.30 . 1 . . . A 79 THR CB . 30063 1 935 . 1 1 79 79 THR CG2 C 13 21.564 0.30 . 1 . . . A 79 THR CG2 . 30063 1 936 . 1 1 79 79 THR N N 15 114.602 0.30 . 1 . . . A 79 THR N . 30063 1 937 . 1 1 80 80 ASP H H 1 8.421 0.02 . 1 . . . A 80 ASP H . 30063 1 938 . 1 1 80 80 ASP HA H 1 4.687 0.02 . 1 . . . A 80 ASP HA . 30063 1 939 . 1 1 80 80 ASP HB2 H 1 2.731 0.02 . 2 . . . A 80 ASP HB2 . 30063 1 940 . 1 1 80 80 ASP HB3 H 1 2.693 0.02 . 2 . . . A 80 ASP HB3 . 30063 1 941 . 1 1 80 80 ASP C C 13 176.378 0.30 . 1 . . . A 80 ASP C . 30063 1 942 . 1 1 80 80 ASP CA C 13 54.498 0.30 . 1 . . . A 80 ASP CA . 30063 1 943 . 1 1 80 80 ASP CB C 13 41.633 0.30 . 1 . . . A 80 ASP CB . 30063 1 944 . 1 1 80 80 ASP N N 15 123.265 0.30 . 1 . . . A 80 ASP N . 30063 1 945 . 1 1 81 81 SER H H 1 8.371 0.02 . 1 . . . A 81 SER H . 30063 1 946 . 1 1 81 81 SER HA H 1 4.394 0.02 . 1 . . . A 81 SER HA . 30063 1 947 . 1 1 81 81 SER HB2 H 1 4.062 0.02 . 2 . . . A 81 SER HB2 . 30063 1 948 . 1 1 81 81 SER HB3 H 1 3.948 0.02 . 2 . . . A 81 SER HB3 . 30063 1 949 . 1 1 81 81 SER C C 13 175.520 0.30 . 1 . . . A 81 SER C . 30063 1 950 . 1 1 81 81 SER CA C 13 59.394 0.30 . 1 . . . A 81 SER CA . 30063 1 951 . 1 1 81 81 SER CB C 13 63.948 0.30 . 1 . . . A 81 SER CB . 30063 1 952 . 1 1 81 81 SER N N 15 117.233 0.30 . 1 . . . A 81 SER N . 30063 1 953 . 1 1 82 82 GLU H H 1 8.520 0.02 . 1 . . . A 82 GLU H . 30063 1 954 . 1 1 82 82 GLU HA H 1 4.045 0.02 . 1 . . . A 82 GLU HA . 30063 1 955 . 1 1 82 82 GLU HB2 H 1 2.084 0.02 . 2 . . . A 82 GLU HB2 . 30063 1 956 . 1 1 82 82 GLU HB3 H 1 2.084 0.02 . 2 . . . A 82 GLU HB3 . 30063 1 957 . 1 1 82 82 GLU HG2 H 1 2.294 0.02 . 2 . . . A 82 GLU HG2 . 30063 1 958 . 1 1 82 82 GLU HG3 H 1 2.294 0.02 . 2 . . . A 82 GLU HG3 . 30063 1 959 . 1 1 82 82 GLU C C 13 178.127 0.30 . 1 . . . A 82 GLU C . 30063 1 960 . 1 1 82 82 GLU CA C 13 58.750 0.30 . 1 . . . A 82 GLU CA . 30063 1 961 . 1 1 82 82 GLU CB C 13 29.526 0.30 . 1 . . . A 82 GLU CB . 30063 1 962 . 1 1 82 82 GLU CG C 13 36.842 0.30 . 1 . . . A 82 GLU CG . 30063 1 963 . 1 1 82 82 GLU N N 15 122.581 0.30 . 1 . . . A 82 GLU N . 30063 1 964 . 1 1 83 83 GLU H H 1 8.292 0.02 . 1 . . . A 83 GLU H . 30063 1 965 . 1 1 83 83 GLU HA H 1 4.047 0.02 . 1 . . . A 83 GLU HA . 30063 1 966 . 1 1 83 83 GLU HB2 H 1 2.075 0.02 . 2 . . . A 83 GLU HB2 . 30063 1 967 . 1 1 83 83 GLU HB3 H 1 2.075 0.02 . 2 . . . A 83 GLU HB3 . 30063 1 968 . 1 1 83 83 GLU HG2 H 1 2.308 0.02 . 2 . . . A 83 GLU HG2 . 30063 1 969 . 1 1 83 83 GLU HG3 H 1 2.334 0.02 . 2 . . . A 83 GLU HG3 . 30063 1 970 . 1 1 83 83 GLU C C 13 178.585 0.30 . 1 . . . A 83 GLU C . 30063 1 971 . 1 1 83 83 GLU CA C 13 59.381 0.30 . 1 . . . A 83 GLU CA . 30063 1 972 . 1 1 83 83 GLU CB C 13 29.525 0.30 . 1 . . . A 83 GLU CB . 30063 1 973 . 1 1 83 83 GLU CG C 13 36.257 0.30 . 1 . . . A 83 GLU CG . 30063 1 974 . 1 1 83 83 GLU N N 15 119.389 0.30 . 1 . . . A 83 GLU N . 30063 1 975 . 1 1 84 84 GLU H H 1 7.962 0.02 . 1 . . . A 84 GLU H . 30063 1 976 . 1 1 84 84 GLU HA H 1 4.128 0.02 . 1 . . . A 84 GLU HA . 30063 1 977 . 1 1 84 84 GLU HB2 H 1 1.937 0.02 . 2 . . . A 84 GLU HB2 . 30063 1 978 . 1 1 84 84 GLU HB3 H 1 1.937 0.02 . 2 . . . A 84 GLU HB3 . 30063 1 979 . 1 1 84 84 GLU HG2 H 1 2.351 0.02 . 2 . . . A 84 GLU HG2 . 30063 1 980 . 1 1 84 84 GLU HG3 H 1 2.351 0.02 . 2 . . . A 84 GLU HG3 . 30063 1 981 . 1 1 84 84 GLU C C 13 179.398 0.30 . 1 . . . A 84 GLU C . 30063 1 982 . 1 1 84 84 GLU CA C 13 59.342 0.30 . 1 . . . A 84 GLU CA . 30063 1 983 . 1 1 84 84 GLU CB C 13 29.530 0.30 . 1 . . . A 84 GLU CB . 30063 1 984 . 1 1 84 84 GLU CG C 13 36.561 0.30 . 1 . . . A 84 GLU CG . 30063 1 985 . 1 1 84 84 GLU N N 15 118.378 0.30 . 1 . . . A 84 GLU N . 30063 1 986 . 1 1 85 85 ILE H H 1 7.955 0.02 . 1 . . . A 85 ILE H . 30063 1 987 . 1 1 85 85 ILE HA H 1 3.935 0.02 . 1 . . . A 85 ILE HA . 30063 1 988 . 1 1 85 85 ILE HB H 1 2.182 0.02 . 1 . . . A 85 ILE HB . 30063 1 989 . 1 1 85 85 ILE HG12 H 1 1.787 0.02 . 2 . . . A 85 ILE HG12 . 30063 1 990 . 1 1 85 85 ILE HG13 H 1 1.096 0.02 . 2 . . . A 85 ILE HG13 . 30063 1 991 . 1 1 85 85 ILE HG21 H 1 1.112 0.02 . 1 . . . A 85 ILE HG21 . 30063 1 992 . 1 1 85 85 ILE HG22 H 1 1.112 0.02 . 1 . . . A 85 ILE HG22 . 30063 1 993 . 1 1 85 85 ILE HG23 H 1 1.112 0.02 . 1 . . . A 85 ILE HG23 . 30063 1 994 . 1 1 85 85 ILE HD11 H 1 0.773 0.02 . 1 . . . A 85 ILE HD11 . 30063 1 995 . 1 1 85 85 ILE HD12 H 1 0.773 0.02 . 1 . . . A 85 ILE HD12 . 30063 1 996 . 1 1 85 85 ILE HD13 H 1 0.773 0.02 . 1 . . . A 85 ILE HD13 . 30063 1 997 . 1 1 85 85 ILE C C 13 177.976 0.30 . 1 . . . A 85 ILE C . 30063 1 998 . 1 1 85 85 ILE CA C 13 64.944 0.30 . 1 . . . A 85 ILE CA . 30063 1 999 . 1 1 85 85 ILE CB C 13 37.379 0.30 . 1 . . . A 85 ILE CB . 30063 1 1000 . 1 1 85 85 ILE CG1 C 13 29.137 0.30 . 1 . . . A 85 ILE CG1 . 30063 1 1001 . 1 1 85 85 ILE CG2 C 13 19.041 0.30 . 1 . . . A 85 ILE CG2 . 30063 1 1002 . 1 1 85 85 ILE CD1 C 13 13.000 0.30 . 1 . . . A 85 ILE CD1 . 30063 1 1003 . 1 1 85 85 ILE N N 15 121.710 0.30 . 1 . . . A 85 ILE N . 30063 1 1004 . 1 1 86 86 ARG H H 1 8.316 0.02 . 1 . . . A 86 ARG H . 30063 1 1005 . 1 1 86 86 ARG HA H 1 4.123 0.02 . 1 . . . A 86 ARG HA . 30063 1 1006 . 1 1 86 86 ARG HB2 H 1 2.030 0.02 . 1 . . . A 86 ARG HB2 . 30063 1 1007 . 1 1 86 86 ARG HB3 H 1 1.839 0.02 . 1 . . . A 86 ARG HB3 . 30063 1 1008 . 1 1 86 86 ARG HG2 H 1 1.696 0.02 . 1 . . . A 86 ARG HG2 . 30063 1 1009 . 1 1 86 86 ARG HG3 H 1 1.524 0.02 . 1 . . . A 86 ARG HG3 . 30063 1 1010 . 1 1 86 86 ARG HD2 H 1 2.948 0.02 . 1 . . . A 86 ARG HD2 . 30063 1 1011 . 1 1 86 86 ARG HD3 H 1 2.948 0.02 . 1 . . . A 86 ARG HD3 . 30063 1 1012 . 1 1 86 86 ARG C C 13 179.337 0.30 . 1 . . . A 86 ARG C . 30063 1 1013 . 1 1 86 86 ARG CA C 13 60.186 0.30 . 1 . . . A 86 ARG CA . 30063 1 1014 . 1 1 86 86 ARG CB C 13 29.910 0.30 . 1 . . . A 86 ARG CB . 30063 1 1015 . 1 1 86 86 ARG CG C 13 27.553 0.30 . 1 . . . A 86 ARG CG . 30063 1 1016 . 1 1 86 86 ARG CD C 13 43.278 0.30 . 1 . . . A 86 ARG CD . 30063 1 1017 . 1 1 86 86 ARG N N 15 121.741 0.30 . 1 . . . A 86 ARG N . 30063 1 1018 . 1 1 87 87 GLU H H 1 8.164 0.02 . 1 . . . A 87 GLU H . 30063 1 1019 . 1 1 87 87 GLU HA H 1 4.058 0.02 . 1 . . . A 87 GLU HA . 30063 1 1020 . 1 1 87 87 GLU HB2 H 1 2.164 0.02 . 2 . . . A 87 GLU HB2 . 30063 1 1021 . 1 1 87 87 GLU HB3 H 1 2.164 0.02 . 2 . . . A 87 GLU HB3 . 30063 1 1022 . 1 1 87 87 GLU HG2 H 1 2.320 0.02 . 2 . . . A 87 GLU HG2 . 30063 1 1023 . 1 1 87 87 GLU HG3 H 1 2.415 0.02 . 2 . . . A 87 GLU HG3 . 30063 1 1024 . 1 1 87 87 GLU C C 13 178.953 0.30 . 1 . . . A 87 GLU C . 30063 1 1025 . 1 1 87 87 GLU CA C 13 59.948 0.30 . 1 . . . A 87 GLU CA . 30063 1 1026 . 1 1 87 87 GLU CB C 13 29.477 0.30 . 1 . . . A 87 GLU CB . 30063 1 1027 . 1 1 87 87 GLU CG C 13 36.277 0.30 . 1 . . . A 87 GLU CG . 30063 1 1028 . 1 1 87 87 GLU N N 15 118.213 0.30 . 1 . . . A 87 GLU N . 30063 1 1029 . 1 1 88 88 ALA H H 1 7.932 0.02 . 1 . . . A 88 ALA H . 30063 1 1030 . 1 1 88 88 ALA HA H 1 4.182 0.02 . 1 . . . A 88 ALA HA . 30063 1 1031 . 1 1 88 88 ALA HB1 H 1 1.850 0.02 . 1 . . . A 88 ALA HB1 . 30063 1 1032 . 1 1 88 88 ALA HB2 H 1 1.850 0.02 . 1 . . . A 88 ALA HB2 . 30063 1 1033 . 1 1 88 88 ALA HB3 H 1 1.850 0.02 . 1 . . . A 88 ALA HB3 . 30063 1 1034 . 1 1 88 88 ALA C C 13 178.824 0.30 . 1 . . . A 88 ALA C . 30063 1 1035 . 1 1 88 88 ALA CA C 13 55.242 0.30 . 1 . . . A 88 ALA CA . 30063 1 1036 . 1 1 88 88 ALA CB C 13 18.370 0.30 . 1 . . . A 88 ALA CB . 30063 1 1037 . 1 1 88 88 ALA N N 15 121.736 0.30 . 1 . . . A 88 ALA N . 30063 1 1038 . 1 1 89 89 PHE H H 1 8.452 0.02 . 1 . . . A 89 PHE H . 30063 1 1039 . 1 1 89 89 PHE HA H 1 3.235 0.02 . 1 . . . A 89 PHE HA . 30063 1 1040 . 1 1 89 89 PHE HB2 H 1 2.903 0.02 . 2 . . . A 89 PHE HB2 . 30063 1 1041 . 1 1 89 89 PHE HB3 H 1 3.179 0.02 . 2 . . . A 89 PHE HB3 . 30063 1 1042 . 1 1 89 89 PHE HD1 H 1 6.616 0.02 . 3 . . . A 89 PHE HD1 . 30063 1 1043 . 1 1 89 89 PHE HD2 H 1 6.616 0.02 . 3 . . . A 89 PHE HD2 . 30063 1 1044 . 1 1 89 89 PHE HE1 H 1 7.040 0.02 . 3 . . . A 89 PHE HE1 . 30063 1 1045 . 1 1 89 89 PHE HE2 H 1 7.040 0.02 . 3 . . . A 89 PHE HE2 . 30063 1 1046 . 1 1 89 89 PHE C C 13 177.249 0.30 . 1 . . . A 89 PHE C . 30063 1 1047 . 1 1 89 89 PHE CA C 13 62.339 0.30 . 1 . . . A 89 PHE CA . 30063 1 1048 . 1 1 89 89 PHE CB C 13 39.361 0.30 . 1 . . . A 89 PHE CB . 30063 1 1049 . 1 1 89 89 PHE CD1 C 13 132.386 0.30 . 1 . . . A 89 PHE CD1 . 30063 1 1050 . 1 1 89 89 PHE N N 15 118.376 0.30 . 1 . . . A 89 PHE N . 30063 1 1051 . 1 1 90 90 ARG H H 1 7.705 0.02 . 1 . . . A 90 ARG H . 30063 1 1052 . 1 1 90 90 ARG HA H 1 3.841 0.02 . 1 . . . A 90 ARG HA . 30063 1 1053 . 1 1 90 90 ARG HB2 H 1 1.950 0.02 . 1 . . . A 90 ARG HB2 . 30063 1 1054 . 1 1 90 90 ARG HB3 H 1 1.950 0.02 . 1 . . . A 90 ARG HB3 . 30063 1 1055 . 1 1 90 90 ARG HG2 H 1 1.738 0.02 . 1 . . . A 90 ARG HG2 . 30063 1 1056 . 1 1 90 90 ARG HG3 H 1 1.756 0.02 . 1 . . . A 90 ARG HG3 . 30063 1 1057 . 1 1 90 90 ARG HD2 H 1 3.217 0.02 . 1 . . . A 90 ARG HD2 . 30063 1 1058 . 1 1 90 90 ARG HD3 H 1 3.198 0.02 . 1 . . . A 90 ARG HD3 . 30063 1 1059 . 1 1 90 90 ARG C C 13 177.373 0.30 . 1 . . . A 90 ARG C . 30063 1 1060 . 1 1 90 90 ARG CA C 13 58.693 0.30 . 1 . . . A 90 ARG CA . 30063 1 1061 . 1 1 90 90 ARG CB C 13 30.363 0.30 . 1 . . . A 90 ARG CB . 30063 1 1062 . 1 1 90 90 ARG CG C 13 28.112 0.30 . 1 . . . A 90 ARG CG . 30063 1 1063 . 1 1 90 90 ARG CD C 13 43.653 0.30 . 1 . . . A 90 ARG CD . 30063 1 1064 . 1 1 90 90 ARG N N 15 115.613 0.30 . 1 . . . A 90 ARG N . 30063 1 1065 . 1 1 91 91 VAL H H 1 7.349 0.02 . 1 . . . A 91 VAL H . 30063 1 1066 . 1 1 91 91 VAL HA H 1 3.395 0.02 . 1 . . . A 91 VAL HA . 30063 1 1067 . 1 1 91 91 VAL HB H 1 2.118 0.02 . 1 . . . A 91 VAL HB . 30063 1 1068 . 1 1 91 91 VAL HG11 H 1 1.007 0.02 . 2 . . . A 91 VAL HG11 . 30063 1 1069 . 1 1 91 91 VAL HG12 H 1 1.007 0.02 . 2 . . . A 91 VAL HG12 . 30063 1 1070 . 1 1 91 91 VAL HG13 H 1 1.007 0.02 . 2 . . . A 91 VAL HG13 . 30063 1 1071 . 1 1 91 91 VAL HG21 H 1 0.408 0.02 . 2 . . . A 91 VAL HG21 . 30063 1 1072 . 1 1 91 91 VAL HG22 H 1 0.408 0.02 . 2 . . . A 91 VAL HG22 . 30063 1 1073 . 1 1 91 91 VAL HG23 H 1 0.408 0.02 . 2 . . . A 91 VAL HG23 . 30063 1 1074 . 1 1 91 91 VAL C C 13 176.208 0.30 . 1 . . . A 91 VAL C . 30063 1 1075 . 1 1 91 91 VAL CA C 13 65.782 0.30 . 1 . . . A 91 VAL CA . 30063 1 1076 . 1 1 91 91 VAL CB C 13 31.414 0.30 . 1 . . . A 91 VAL CB . 30063 1 1077 . 1 1 91 91 VAL CG1 C 13 22.986 0.30 . 2 . . . A 91 VAL CG1 . 30063 1 1078 . 1 1 91 91 VAL CG2 C 13 20.800 0.30 . 2 . . . A 91 VAL CG2 . 30063 1 1079 . 1 1 91 91 VAL N N 15 118.548 0.30 . 1 . . . A 91 VAL N . 30063 1 1080 . 1 1 92 92 PHE H H 1 6.833 0.02 . 1 . . . A 92 PHE H . 30063 1 1081 . 1 1 92 92 PHE HA H 1 4.277 0.02 . 1 . . . A 92 PHE HA . 30063 1 1082 . 1 1 92 92 PHE HB2 H 1 2.631 0.02 . 2 . . . A 92 PHE HB2 . 30063 1 1083 . 1 1 92 92 PHE HB3 H 1 2.623 0.02 . 2 . . . A 92 PHE HB3 . 30063 1 1084 . 1 1 92 92 PHE HD1 H 1 7.327 0.02 . 3 . . . A 92 PHE HD1 . 30063 1 1085 . 1 1 92 92 PHE C C 13 176.082 0.30 . 1 . . . A 92 PHE C . 30063 1 1086 . 1 1 92 92 PHE CA C 13 59.669 0.30 . 1 . . . A 92 PHE CA . 30063 1 1087 . 1 1 92 92 PHE CB C 13 41.342 0.30 . 1 . . . A 92 PHE CB . 30063 1 1088 . 1 1 92 92 PHE CD1 C 13 130.290 0.30 . 1 . . . A 92 PHE CD1 . 30063 1 1089 . 1 1 92 92 PHE N N 15 113.927 0.30 . 1 . . . A 92 PHE N . 30063 1 1090 . 1 1 93 93 ASP H H 1 7.657 0.02 . 1 . . . A 93 ASP H . 30063 1 1091 . 1 1 93 93 ASP HA H 1 4.589 0.02 . 1 . . . A 93 ASP HA . 30063 1 1092 . 1 1 93 93 ASP HB2 H 1 2.171 0.02 . 2 . . . A 93 ASP HB2 . 30063 1 1093 . 1 1 93 93 ASP HB3 H 1 1.352 0.02 . 2 . . . A 93 ASP HB3 . 30063 1 1094 . 1 1 93 93 ASP C C 13 177.586 0.30 . 1 . . . A 93 ASP C . 30063 1 1095 . 1 1 93 93 ASP CA C 13 52.307 0.30 . 1 . . . A 93 ASP CA . 30063 1 1096 . 1 1 93 93 ASP CB C 13 38.896 0.30 . 1 . . . A 93 ASP CB . 30063 1 1097 . 1 1 93 93 ASP N N 15 115.491 0.30 . 1 . . . A 93 ASP N . 30063 1 1098 . 1 1 94 94 LYS H H 1 7.607 0.02 . 1 . . . A 94 LYS H . 30063 1 1099 . 1 1 94 94 LYS HA H 1 3.880 0.02 . 1 . . . A 94 LYS HA . 30063 1 1100 . 1 1 94 94 LYS HB2 H 1 1.806 0.02 . 2 . . . A 94 LYS HB2 . 30063 1 1101 . 1 1 94 94 LYS HB3 H 1 1.763 0.02 . 2 . . . A 94 LYS HB3 . 30063 1 1102 . 1 1 94 94 LYS HG2 H 1 1.436 0.02 . 2 . . . A 94 LYS HG2 . 30063 1 1103 . 1 1 94 94 LYS HG3 H 1 1.411 0.02 . 2 . . . A 94 LYS HG3 . 30063 1 1104 . 1 1 94 94 LYS HD2 H 1 1.586 0.02 . 2 . . . A 94 LYS HD2 . 30063 1 1105 . 1 1 94 94 LYS HE2 H 1 2.808 0.02 . 2 . . . A 94 LYS HE2 . 30063 1 1106 . 1 1 94 94 LYS HE3 H 1 2.808 0.02 . 2 . . . A 94 LYS HE3 . 30063 1 1107 . 1 1 94 94 LYS C C 13 178.224 0.30 . 1 . . . A 94 LYS C . 30063 1 1108 . 1 1 94 94 LYS CA C 13 58.780 0.30 . 1 . . . A 94 LYS CA . 30063 1 1109 . 1 1 94 94 LYS CB C 13 32.342 0.30 . 1 . . . A 94 LYS CB . 30063 1 1110 . 1 1 94 94 LYS CG C 13 23.623 0.30 . 1 . . . A 94 LYS CG . 30063 1 1111 . 1 1 94 94 LYS CD C 13 28.136 0.30 . 1 . . . A 94 LYS CD . 30063 1 1112 . 1 1 94 94 LYS CE C 13 41.702 0.30 . 1 . . . A 94 LYS CE . 30063 1 1113 . 1 1 94 94 LYS N N 15 125.476 0.30 . 1 . . . A 94 LYS N . 30063 1 1114 . 1 1 95 95 ASP H H 1 8.344 0.02 . 1 . . . A 95 ASP H . 30063 1 1115 . 1 1 95 95 ASP HA H 1 4.546 0.02 . 1 . . . A 95 ASP HA . 30063 1 1116 . 1 1 95 95 ASP HB2 H 1 2.640 0.02 . 2 . . . A 95 ASP HB2 . 30063 1 1117 . 1 1 95 95 ASP HB3 H 1 3.055 0.02 . 2 . . . A 95 ASP HB3 . 30063 1 1118 . 1 1 95 95 ASP C C 13 177.615 0.30 . 1 . . . A 95 ASP C . 30063 1 1119 . 1 1 95 95 ASP CA C 13 53.196 0.30 . 1 . . . A 95 ASP CA . 30063 1 1120 . 1 1 95 95 ASP CB C 13 39.729 0.30 . 1 . . . A 95 ASP CB . 30063 1 1121 . 1 1 95 95 ASP N N 15 114.275 0.30 . 1 . . . A 95 ASP N . 30063 1 1122 . 1 1 96 96 GLY H H 1 7.738 0.02 . 1 . . . A 96 GLY H . 30063 1 1123 . 1 1 96 96 GLY HA2 H 1 3.840 0.02 . 2 . . . A 96 GLY HA2 . 30063 1 1124 . 1 1 96 96 GLY HA3 H 1 3.826 0.02 . 2 . . . A 96 GLY HA3 . 30063 1 1125 . 1 1 96 96 GLY C C 13 175.132 0.30 . 1 . . . A 96 GLY C . 30063 1 1126 . 1 1 96 96 GLY CA C 13 47.248 0.30 . 1 . . . A 96 GLY CA . 30063 1 1127 . 1 1 96 96 GLY N N 15 109.258 0.30 . 1 . . . A 96 GLY N . 30063 1 1128 . 1 1 97 97 ASN H H 1 8.379 0.02 . 1 . . . A 97 ASN H . 30063 1 1129 . 1 1 97 97 ASN HA H 1 4.632 0.02 . 1 . . . A 97 ASN HA . 30063 1 1130 . 1 1 97 97 ASN HB2 H 1 2.669 0.02 . 1 . . . A 97 ASN HB2 . 30063 1 1131 . 1 1 97 97 ASN HB3 H 1 3.401 0.02 . 1 . . . A 97 ASN HB3 . 30063 1 1132 . 1 1 97 97 ASN HD21 H 1 7.393 0.02 . 1 . . . A 97 ASN HD21 . 30063 1 1133 . 1 1 97 97 ASN HD22 H 1 8.020 0.02 . 1 . . . A 97 ASN HD22 . 30063 1 1134 . 1 1 97 97 ASN C C 13 176.074 0.30 . 1 . . . A 97 ASN C . 30063 1 1135 . 1 1 97 97 ASN CA C 13 52.942 0.30 . 1 . . . A 97 ASN CA . 30063 1 1136 . 1 1 97 97 ASN CB C 13 38.249 0.30 . 1 . . . A 97 ASN CB . 30063 1 1137 . 1 1 97 97 ASN N N 15 119.771 0.30 . 1 . . . A 97 ASN N . 30063 1 1138 . 1 1 97 97 ASN ND2 N 15 116.851 0.30 . 1 . . . A 97 ASN ND2 . 30063 1 1139 . 1 1 98 98 GLY H H 1 10.605 0.02 . 1 . . . A 98 GLY H . 30063 1 1140 . 1 1 98 98 GLY HA2 H 1 4.092 0.02 . 2 . . . A 98 GLY HA2 . 30063 1 1141 . 1 1 98 98 GLY HA3 H 1 3.454 0.02 . 2 . . . A 98 GLY HA3 . 30063 1 1142 . 1 1 98 98 GLY C C 13 172.754 0.30 . 1 . . . A 98 GLY C . 30063 1 1143 . 1 1 98 98 GLY CA C 13 44.998 0.30 . 1 . . . A 98 GLY CA . 30063 1 1144 . 1 1 98 98 GLY N N 15 112.695 0.30 . 1 . . . A 98 GLY N . 30063 1 1145 . 1 1 99 99 TYR H H 1 7.661 0.02 . 1 . . . A 99 TYR H . 30063 1 1146 . 1 1 99 99 TYR HA H 1 5.029 0.02 . 1 . . . A 99 TYR HA . 30063 1 1147 . 1 1 99 99 TYR HB2 H 1 2.530 0.02 . 1 . . . A 99 TYR HB2 . 30063 1 1148 . 1 1 99 99 TYR HB3 H 1 2.548 0.02 . 1 . . . A 99 TYR HB3 . 30063 1 1149 . 1 1 99 99 TYR HD1 H 1 6.751 0.02 . 3 . . . A 99 TYR HD1 . 30063 1 1150 . 1 1 99 99 TYR HD2 H 1 6.971 0.02 . 3 . . . A 99 TYR HD2 . 30063 1 1151 . 1 1 99 99 TYR HE1 H 1 6.896 0.02 . 3 . . . A 99 TYR HE1 . 30063 1 1152 . 1 1 99 99 TYR C C 13 174.730 0.30 . 1 . . . A 99 TYR C . 30063 1 1153 . 1 1 99 99 TYR CA C 13 56.285 0.30 . 1 . . . A 99 TYR CA . 30063 1 1154 . 1 1 99 99 TYR CB C 13 42.900 0.30 . 1 . . . A 99 TYR CB . 30063 1 1155 . 1 1 99 99 TYR CD1 C 13 134.243 0.30 . 1 . . . A 99 TYR CD1 . 30063 1 1156 . 1 1 99 99 TYR CD2 C 13 134.243 0.30 . 1 . . . A 99 TYR CD2 . 30063 1 1157 . 1 1 99 99 TYR CE1 C 13 118.925 0.30 . 1 . . . A 99 TYR CE1 . 30063 1 1158 . 1 1 99 99 TYR N N 15 116.334 0.30 . 1 . . . A 99 TYR N . 30063 1 1159 . 1 1 100 100 ILE H H 1 10.128 0.02 . 1 . . . A 100 ILE H . 30063 1 1160 . 1 1 100 100 ILE HA H 1 4.672 0.02 . 1 . . . A 100 ILE HA . 30063 1 1161 . 1 1 100 100 ILE HB H 1 1.954 0.02 . 1 . . . A 100 ILE HB . 30063 1 1162 . 1 1 100 100 ILE HG12 H 1 1.392 0.02 . 2 . . . A 100 ILE HG12 . 30063 1 1163 . 1 1 100 100 ILE HG13 H 1 0.241 0.02 . 2 . . . A 100 ILE HG13 . 30063 1 1164 . 1 1 100 100 ILE HG21 H 1 1.078 0.02 . 1 . . . A 100 ILE HG21 . 30063 1 1165 . 1 1 100 100 ILE HG22 H 1 1.078 0.02 . 1 . . . A 100 ILE HG22 . 30063 1 1166 . 1 1 100 100 ILE HG23 H 1 1.078 0.02 . 1 . . . A 100 ILE HG23 . 30063 1 1167 . 1 1 100 100 ILE HD11 H 1 0.561 0.02 . 1 . . . A 100 ILE HD11 . 30063 1 1168 . 1 1 100 100 ILE HD12 H 1 0.561 0.02 . 1 . . . A 100 ILE HD12 . 30063 1 1169 . 1 1 100 100 ILE HD13 H 1 0.561 0.02 . 1 . . . A 100 ILE HD13 . 30063 1 1170 . 1 1 100 100 ILE C C 13 175.532 0.30 . 1 . . . A 100 ILE C . 30063 1 1171 . 1 1 100 100 ILE CA C 13 61.344 0.30 . 1 . . . A 100 ILE CA . 30063 1 1172 . 1 1 100 100 ILE CB C 13 39.408 0.30 . 1 . . . A 100 ILE CB . 30063 1 1173 . 1 1 100 100 ILE CG1 C 13 26.712 0.30 . 1 . . . A 100 ILE CG1 . 30063 1 1174 . 1 1 100 100 ILE CG2 C 13 17.998 0.30 . 1 . . . A 100 ILE CG2 . 30063 1 1175 . 1 1 100 100 ILE CD1 C 13 16.010 0.30 . 1 . . . A 100 ILE CD1 . 30063 1 1176 . 1 1 100 100 ILE N N 15 127.427 0.30 . 1 . . . A 100 ILE N . 30063 1 1177 . 1 1 101 101 SER H H 1 8.931 0.02 . 1 . . . A 101 SER H . 30063 1 1178 . 1 1 101 101 SER HA H 1 4.947 0.02 . 1 . . . A 101 SER HA . 30063 1 1179 . 1 1 101 101 SER HB2 H 1 3.981 0.02 . 2 . . . A 101 SER HB2 . 30063 1 1180 . 1 1 101 101 SER HB3 H 1 4.445 0.02 . 2 . . . A 101 SER HB3 . 30063 1 1181 . 1 1 101 101 SER C C 13 175.265 0.30 . 1 . . . A 101 SER C . 30063 1 1182 . 1 1 101 101 SER CA C 13 55.867 0.30 . 1 . . . A 101 SER CA . 30063 1 1183 . 1 1 101 101 SER CB C 13 66.861 0.30 . 1 . . . A 101 SER CB . 30063 1 1184 . 1 1 101 101 SER N N 15 123.738 0.30 . 1 . . . A 101 SER N . 30063 1 1185 . 1 1 102 102 ALA H H 1 9.298 0.02 . 1 . . . A 102 ALA H . 30063 1 1186 . 1 1 102 102 ALA HA H 1 3.914 0.02 . 1 . . . A 102 ALA HA . 30063 1 1187 . 1 1 102 102 ALA HB1 H 1 1.478 0.02 . 1 . . . A 102 ALA HB1 . 30063 1 1188 . 1 1 102 102 ALA HB2 H 1 1.478 0.02 . 1 . . . A 102 ALA HB2 . 30063 1 1189 . 1 1 102 102 ALA HB3 H 1 1.478 0.02 . 1 . . . A 102 ALA HB3 . 30063 1 1190 . 1 1 102 102 ALA C C 13 179.281 0.30 . 1 . . . A 102 ALA C . 30063 1 1191 . 1 1 102 102 ALA CA C 13 56.023 0.30 . 1 . . . A 102 ALA CA . 30063 1 1192 . 1 1 102 102 ALA CB C 13 18.011 0.30 . 1 . . . A 102 ALA CB . 30063 1 1193 . 1 1 102 102 ALA N N 15 123.362 0.30 . 1 . . . A 102 ALA N . 30063 1 1194 . 1 1 103 103 ALA H H 1 8.217 0.02 . 1 . . . A 103 ALA H . 30063 1 1195 . 1 1 103 103 ALA HA H 1 4.023 0.02 . 1 . . . A 103 ALA HA . 30063 1 1196 . 1 1 103 103 ALA HB1 H 1 1.411 0.02 . 1 . . . A 103 ALA HB1 . 30063 1 1197 . 1 1 103 103 ALA HB2 H 1 1.411 0.02 . 1 . . . A 103 ALA HB2 . 30063 1 1198 . 1 1 103 103 ALA HB3 H 1 1.411 0.02 . 1 . . . A 103 ALA HB3 . 30063 1 1199 . 1 1 103 103 ALA C C 13 181.441 0.30 . 1 . . . A 103 ALA C . 30063 1 1200 . 1 1 103 103 ALA CA C 13 55.132 0.30 . 1 . . . A 103 ALA CA . 30063 1 1201 . 1 1 103 103 ALA CB C 13 18.356 0.30 . 1 . . . A 103 ALA CB . 30063 1 1202 . 1 1 103 103 ALA N N 15 118.529 0.30 . 1 . . . A 103 ALA N . 30063 1 1203 . 1 1 104 104 GLU H H 1 7.849 0.02 . 1 . . . A 104 GLU H . 30063 1 1204 . 1 1 104 104 GLU HA H 1 4.014 0.02 . 1 . . . A 104 GLU HA . 30063 1 1205 . 1 1 104 104 GLU HB2 H 1 2.143 0.02 . 2 . . . A 104 GLU HB2 . 30063 1 1206 . 1 1 104 104 GLU HB3 H 1 1.970 0.02 . 2 . . . A 104 GLU HB3 . 30063 1 1207 . 1 1 104 104 GLU HG2 H 1 2.324 0.02 . 2 . . . A 104 GLU HG2 . 30063 1 1208 . 1 1 104 104 GLU HG3 H 1 2.324 0.02 . 2 . . . A 104 GLU HG3 . 30063 1 1209 . 1 1 104 104 GLU C C 13 178.689 0.30 . 1 . . . A 104 GLU C . 30063 1 1210 . 1 1 104 104 GLU CA C 13 59.905 0.30 . 1 . . . A 104 GLU CA . 30063 1 1211 . 1 1 104 104 GLU CB C 13 29.526 0.30 . 1 . . . A 104 GLU CB . 30063 1 1212 . 1 1 104 104 GLU CG C 13 36.305 0.30 . 1 . . . A 104 GLU CG . 30063 1 1213 . 1 1 104 104 GLU N N 15 119.948 0.30 . 1 . . . A 104 GLU N . 30063 1 1214 . 1 1 105 105 LEU H H 1 8.536 0.02 . 1 . . . A 105 LEU H . 30063 1 1215 . 1 1 105 105 LEU HA H 1 4.118 0.02 . 1 . . . A 105 LEU HA . 30063 1 1216 . 1 1 105 105 LEU HB2 H 1 1.887 0.02 . 2 . . . A 105 LEU HB2 . 30063 1 1217 . 1 1 105 105 LEU HB3 H 1 1.911 0.02 . 2 . . . A 105 LEU HB3 . 30063 1 1218 . 1 1 105 105 LEU HG H 1 1.361 0.02 . 1 . . . A 105 LEU HG . 30063 1 1219 . 1 1 105 105 LEU HD11 H 1 0.751 0.02 . 2 . . . A 105 LEU HD11 . 30063 1 1220 . 1 1 105 105 LEU HD12 H 1 0.751 0.02 . 2 . . . A 105 LEU HD12 . 30063 1 1221 . 1 1 105 105 LEU HD13 H 1 0.751 0.02 . 2 . . . A 105 LEU HD13 . 30063 1 1222 . 1 1 105 105 LEU HD21 H 1 0.614 0.02 . 2 . . . A 105 LEU HD21 . 30063 1 1223 . 1 1 105 105 LEU HD22 H 1 0.614 0.02 . 2 . . . A 105 LEU HD22 . 30063 1 1224 . 1 1 105 105 LEU HD23 H 1 0.614 0.02 . 2 . . . A 105 LEU HD23 . 30063 1 1225 . 1 1 105 105 LEU C C 13 178.366 0.30 . 1 . . . A 105 LEU C . 30063 1 1226 . 1 1 105 105 LEU CA C 13 58.780 0.30 . 1 . . . A 105 LEU CA . 30063 1 1227 . 1 1 105 105 LEU CB C 13 42.054 0.30 . 1 . . . A 105 LEU CB . 30063 1 1228 . 1 1 105 105 LEU CG C 13 26.111 0.30 . 1 . . . A 105 LEU CG . 30063 1 1229 . 1 1 105 105 LEU CD1 C 13 24.505 0.30 . 2 . . . A 105 LEU CD1 . 30063 1 1230 . 1 1 105 105 LEU CD2 C 13 24.455 0.30 . 2 . . . A 105 LEU CD2 . 30063 1 1231 . 1 1 105 105 LEU N N 15 120.173 0.30 . 1 . . . A 105 LEU N . 30063 1 1232 . 1 1 106 106 ARG H H 1 8.695 0.02 . 1 . . . A 106 ARG H . 30063 1 1233 . 1 1 106 106 ARG HA H 1 3.782 0.02 . 1 . . . A 106 ARG HA . 30063 1 1234 . 1 1 106 106 ARG HB2 H 1 1.954 0.02 . 1 . . . A 106 ARG HB2 . 30063 1 1235 . 1 1 106 106 ARG HB3 H 1 1.954 0.02 . 1 . . . A 106 ARG HB3 . 30063 1 1236 . 1 1 106 106 ARG HG2 H 1 1.639 0.02 . 1 . . . A 106 ARG HG2 . 30063 1 1237 . 1 1 106 106 ARG HG3 H 1 1.652 0.02 . 1 . . . A 106 ARG HG3 . 30063 1 1238 . 1 1 106 106 ARG HD2 H 1 3.243 0.02 . 1 . . . A 106 ARG HD2 . 30063 1 1239 . 1 1 106 106 ARG HD3 H 1 3.108 0.02 . 1 . . . A 106 ARG HD3 . 30063 1 1240 . 1 1 106 106 ARG C C 13 178.808 0.30 . 1 . . . A 106 ARG C . 30063 1 1241 . 1 1 106 106 ARG CA C 13 59.873 0.30 . 1 . . . A 106 ARG CA . 30063 1 1242 . 1 1 106 106 ARG CB C 13 30.936 0.30 . 1 . . . A 106 ARG CB . 30063 1 1243 . 1 1 106 106 ARG CG C 13 27.280 0.30 . 1 . . . A 106 ARG CG . 30063 1 1244 . 1 1 106 106 ARG CD C 13 43.845 0.30 . 1 . . . A 106 ARG CD . 30063 1 1245 . 1 1 106 106 ARG N N 15 117.900 0.30 . 1 . . . A 106 ARG N . 30063 1 1246 . 1 1 107 107 HIS H H 1 7.847 0.02 . 1 . . . A 107 HIS H . 30063 1 1247 . 1 1 107 107 HIS HA H 1 4.287 0.02 . 1 . . . A 107 HIS HA . 30063 1 1248 . 1 1 107 107 HIS HB2 H 1 3.380 0.02 . 2 . . . A 107 HIS HB2 . 30063 1 1249 . 1 1 107 107 HIS HB3 H 1 3.259 0.02 . 2 . . . A 107 HIS HB3 . 30063 1 1250 . 1 1 107 107 HIS HD2 H 1 6.919 0.02 . 1 . . . A 107 HIS HD2 . 30063 1 1251 . 1 1 107 107 HIS HE1 H 1 7.845 0.02 . 1 . . . A 107 HIS HE1 . 30063 1 1252 . 1 1 107 107 HIS C C 13 177.619 0.30 . 1 . . . A 107 HIS C . 30063 1 1253 . 1 1 107 107 HIS CA C 13 59.839 0.30 . 1 . . . A 107 HIS CA . 30063 1 1254 . 1 1 107 107 HIS CB C 13 30.593 0.30 . 1 . . . A 107 HIS CB . 30063 1 1255 . 1 1 107 107 HIS CD2 C 13 120.925 0.30 . 1 . . . A 107 HIS CD2 . 30063 1 1256 . 1 1 107 107 HIS CE1 C 13 139.436 0.30 . 1 . . . A 107 HIS CE1 . 30063 1 1257 . 1 1 107 107 HIS N N 15 119.442 0.30 . 1 . . . A 107 HIS N . 30063 1 1258 . 1 1 108 108 VAL H H 1 8.484 0.02 . 1 . . . A 108 VAL H . 30063 1 1259 . 1 1 108 108 VAL HA H 1 3.534 0.02 . 1 . . . A 108 VAL HA . 30063 1 1260 . 1 1 108 108 VAL HB H 1 2.104 0.02 . 1 . . . A 108 VAL HB . 30063 1 1261 . 1 1 108 108 VAL HG11 H 1 1.119 0.02 . 2 . . . A 108 VAL HG11 . 30063 1 1262 . 1 1 108 108 VAL HG12 H 1 1.119 0.02 . 2 . . . A 108 VAL HG12 . 30063 1 1263 . 1 1 108 108 VAL HG13 H 1 1.119 0.02 . 2 . . . A 108 VAL HG13 . 30063 1 1264 . 1 1 108 108 VAL HG21 H 1 0.577 0.02 . 2 . . . A 108 VAL HG21 . 30063 1 1265 . 1 1 108 108 VAL HG22 H 1 0.577 0.02 . 2 . . . A 108 VAL HG22 . 30063 1 1266 . 1 1 108 108 VAL HG23 H 1 0.577 0.02 . 2 . . . A 108 VAL HG23 . 30063 1 1267 . 1 1 108 108 VAL C C 13 178.120 0.30 . 1 . . . A 108 VAL C . 30063 1 1268 . 1 1 108 108 VAL CA C 13 67.067 0.30 . 1 . . . A 108 VAL CA . 30063 1 1269 . 1 1 108 108 VAL CB C 13 32.051 0.30 . 1 . . . A 108 VAL CB . 30063 1 1270 . 1 1 108 108 VAL CG1 C 13 23.636 0.30 . 2 . . . A 108 VAL CG1 . 30063 1 1271 . 1 1 108 108 VAL CG2 C 13 21.122 0.30 . 2 . . . A 108 VAL CG2 . 30063 1 1272 . 1 1 108 108 VAL N N 15 120.060 0.30 . 1 . . . A 108 VAL N . 30063 1 1273 . 1 1 109 109 MET H H 1 8.577 0.02 . 1 . . . A 109 MET H . 30063 1 1274 . 1 1 109 109 MET HA H 1 4.177 0.02 . 1 . . . A 109 MET HA . 30063 1 1275 . 1 1 109 109 MET HB2 H 1 2.143 0.02 . 2 . . . A 109 MET HB2 . 30063 1 1276 . 1 1 109 109 MET HB3 H 1 1.929 0.02 . 2 . . . A 109 MET HB3 . 30063 1 1277 . 1 1 109 109 MET HG2 H 1 2.853 0.02 . 2 . . . A 109 MET HG2 . 30063 1 1278 . 1 1 109 109 MET HG3 H 1 2.238 0.02 . 2 . . . A 109 MET HG3 . 30063 1 1279 . 1 1 109 109 MET HE1 H 1 1.809 0.02 . 1 . . . A 109 MET HE1 . 30063 1 1280 . 1 1 109 109 MET HE2 H 1 1.809 0.02 . 1 . . . A 109 MET HE2 . 30063 1 1281 . 1 1 109 109 MET HE3 H 1 1.809 0.02 . 1 . . . A 109 MET HE3 . 30063 1 1282 . 1 1 109 109 MET C C 13 179.108 0.30 . 1 . . . A 109 MET C . 30063 1 1283 . 1 1 109 109 MET CA C 13 57.936 0.30 . 1 . . . A 109 MET CA . 30063 1 1284 . 1 1 109 109 MET CB C 13 30.655 0.30 . 1 . . . A 109 MET CB . 30063 1 1285 . 1 1 109 109 MET CG C 13 33.182 0.30 . 1 . . . A 109 MET CG . 30063 1 1286 . 1 1 109 109 MET CE C 13 17.727 0.30 . 1 . . . A 109 MET CE . 30063 1 1287 . 1 1 109 109 MET N N 15 115.948 0.30 . 1 . . . A 109 MET N . 30063 1 1288 . 1 1 110 110 THR H H 1 7.976 0.02 . 1 . . . A 110 THR H . 30063 1 1289 . 1 1 110 110 THR HA H 1 4.039 0.02 . 1 . . . A 110 THR HA . 30063 1 1290 . 1 1 110 110 THR HB H 1 4.256 0.02 . 1 . . . A 110 THR HB . 30063 1 1291 . 1 1 110 110 THR HG21 H 1 1.216 0.02 . 1 . . . A 110 THR HG21 . 30063 1 1292 . 1 1 110 110 THR HG22 H 1 1.216 0.02 . 1 . . . A 110 THR HG22 . 30063 1 1293 . 1 1 110 110 THR HG23 H 1 1.216 0.02 . 1 . . . A 110 THR HG23 . 30063 1 1294 . 1 1 110 110 THR C C 13 178.113 0.30 . 1 . . . A 110 THR C . 30063 1 1295 . 1 1 110 110 THR CA C 13 66.692 0.30 . 1 . . . A 110 THR CA . 30063 1 1296 . 1 1 110 110 THR CB C 13 68.689 0.30 . 1 . . . A 110 THR CB . 30063 1 1297 . 1 1 110 110 THR CG2 C 13 21.543 0.30 . 1 . . . A 110 THR CG2 . 30063 1 1298 . 1 1 110 110 THR N N 15 115.344 0.30 . 1 . . . A 110 THR N . 30063 1 1299 . 1 1 111 111 ASN H H 1 7.942 0.02 . 1 . . . A 111 ASN H . 30063 1 1300 . 1 1 111 111 ASN HA H 1 4.414 0.02 . 1 . . . A 111 ASN HA . 30063 1 1301 . 1 1 111 111 ASN HB2 H 1 2.776 0.02 . 1 . . . A 111 ASN HB2 . 30063 1 1302 . 1 1 111 111 ASN HB3 H 1 2.696 0.02 . 1 . . . A 111 ASN HB3 . 30063 1 1303 . 1 1 111 111 ASN HD21 H 1 7.244 0.02 . 1 . . . A 111 ASN HD21 . 30063 1 1304 . 1 1 111 111 ASN HD22 H 1 6.478 0.02 . 1 . . . A 111 ASN HD22 . 30063 1 1305 . 1 1 111 111 ASN C C 13 176.612 0.30 . 1 . . . A 111 ASN C . 30063 1 1306 . 1 1 111 111 ASN CA C 13 56.210 0.30 . 1 . . . A 111 ASN CA . 30063 1 1307 . 1 1 111 111 ASN CB C 13 38.455 0.30 . 1 . . . A 111 ASN CB . 30063 1 1308 . 1 1 111 111 ASN CG C 13 176.336 0.30 . 1 . . . A 111 ASN CG . 30063 1 1309 . 1 1 111 111 ASN N N 15 122.826 0.30 . 1 . . . A 111 ASN N . 30063 1 1310 . 1 1 111 111 ASN ND2 N 15 111.203 0.30 . 1 . . . A 111 ASN ND2 . 30063 1 1311 . 1 1 112 112 LEU H H 1 7.960 0.02 . 1 . . . A 112 LEU H . 30063 1 1312 . 1 1 112 112 LEU HA H 1 4.305 0.02 . 1 . . . A 112 LEU HA . 30063 1 1313 . 1 1 112 112 LEU HB2 H 1 1.878 0.02 . 2 . . . A 112 LEU HB2 . 30063 1 1314 . 1 1 112 112 LEU HB3 H 1 1.620 0.02 . 2 . . . A 112 LEU HB3 . 30063 1 1315 . 1 1 112 112 LEU HG H 1 1.888 0.02 . 1 . . . A 112 LEU HG . 30063 1 1316 . 1 1 112 112 LEU HD11 H 1 0.805 0.02 . 2 . . . A 112 LEU HD11 . 30063 1 1317 . 1 1 112 112 LEU HD12 H 1 0.805 0.02 . 2 . . . A 112 LEU HD12 . 30063 1 1318 . 1 1 112 112 LEU HD13 H 1 0.805 0.02 . 2 . . . A 112 LEU HD13 . 30063 1 1319 . 1 1 112 112 LEU HD21 H 1 0.735 0.02 . 2 . . . A 112 LEU HD21 . 30063 1 1320 . 1 1 112 112 LEU HD22 H 1 0.735 0.02 . 2 . . . A 112 LEU HD22 . 30063 1 1321 . 1 1 112 112 LEU HD23 H 1 0.735 0.02 . 2 . . . A 112 LEU HD23 . 30063 1 1322 . 1 1 112 112 LEU C C 13 177.017 0.30 . 1 . . . A 112 LEU C . 30063 1 1323 . 1 1 112 112 LEU CA C 13 54.842 0.30 . 1 . . . A 112 LEU CA . 30063 1 1324 . 1 1 112 112 LEU CB C 13 42.557 0.30 . 1 . . . A 112 LEU CB . 30063 1 1325 . 1 1 112 112 LEU CG C 13 26.382 0.30 . 1 . . . A 112 LEU CG . 30063 1 1326 . 1 1 112 112 LEU CD1 C 13 23.061 0.30 . 2 . . . A 112 LEU CD1 . 30063 1 1327 . 1 1 112 112 LEU CD2 C 13 22.713 0.30 . 2 . . . A 112 LEU CD2 . 30063 1 1328 . 1 1 112 112 LEU N N 15 117.613 0.30 . 1 . . . A 112 LEU N . 30063 1 1329 . 1 1 113 113 GLY H H 1 7.803 0.02 . 1 . . . A 113 GLY H . 30063 1 1330 . 1 1 113 113 GLY HA2 H 1 4.114 0.02 . 2 . . . A 113 GLY HA2 . 30063 1 1331 . 1 1 113 113 GLY HA3 H 1 3.774 0.02 . 2 . . . A 113 GLY HA3 . 30063 1 1332 . 1 1 113 113 GLY C C 13 174.744 0.30 . 1 . . . A 113 GLY C . 30063 1 1333 . 1 1 113 113 GLY CA C 13 45.846 0.30 . 1 . . . A 113 GLY CA . 30063 1 1334 . 1 1 113 113 GLY N N 15 107.330 0.30 . 1 . . . A 113 GLY N . 30063 1 1335 . 1 1 114 114 GLU H H 1 7.922 0.02 . 1 . . . A 114 GLU H . 30063 1 1336 . 1 1 114 114 GLU HA H 1 4.468 0.02 . 1 . . . A 114 GLU HA . 30063 1 1337 . 1 1 114 114 GLU HB2 H 1 1.775 0.02 . 2 . . . A 114 GLU HB2 . 30063 1 1338 . 1 1 114 114 GLU HB3 H 1 1.953 0.02 . 2 . . . A 114 GLU HB3 . 30063 1 1339 . 1 1 114 114 GLU HG2 H 1 2.054 0.02 . 2 . . . A 114 GLU HG2 . 30063 1 1340 . 1 1 114 114 GLU HG3 H 1 2.266 0.02 . 2 . . . A 114 GLU HG3 . 30063 1 1341 . 1 1 114 114 GLU C C 13 175.789 0.30 . 1 . . . A 114 GLU C . 30063 1 1342 . 1 1 114 114 GLU CA C 13 54.826 0.30 . 1 . . . A 114 GLU CA . 30063 1 1343 . 1 1 114 114 GLU CB C 13 30.682 0.30 . 1 . . . A 114 GLU CB . 30063 1 1344 . 1 1 114 114 GLU CG C 13 35.478 0.30 . 1 . . . A 114 GLU CG . 30063 1 1345 . 1 1 114 114 GLU N N 15 119.629 0.30 . 1 . . . A 114 GLU N . 30063 1 1346 . 1 1 115 115 LYS H H 1 8.518 0.02 . 1 . . . A 115 LYS H . 30063 1 1347 . 1 1 115 115 LYS HA H 1 4.313 0.02 . 1 . . . A 115 LYS HA . 30063 1 1348 . 1 1 115 115 LYS HB2 H 1 1.653 0.02 . 2 . . . A 115 LYS HB2 . 30063 1 1349 . 1 1 115 115 LYS HB3 H 1 1.773 0.02 . 2 . . . A 115 LYS HB3 . 30063 1 1350 . 1 1 115 115 LYS HG2 H 1 1.284 0.02 . 2 . . . A 115 LYS HG2 . 30063 1 1351 . 1 1 115 115 LYS HG3 H 1 1.376 0.02 . 2 . . . A 115 LYS HG3 . 30063 1 1352 . 1 1 115 115 LYS HD2 H 1 1.659 0.02 . 2 . . . A 115 LYS HD2 . 30063 1 1353 . 1 1 115 115 LYS HD3 H 1 1.659 0.02 . 2 . . . A 115 LYS HD3 . 30063 1 1354 . 1 1 115 115 LYS HE2 H 1 2.959 0.02 . 2 . . . A 115 LYS HE2 . 30063 1 1355 . 1 1 115 115 LYS HE3 H 1 2.987 0.02 . 2 . . . A 115 LYS HE3 . 30063 1 1356 . 1 1 115 115 LYS C C 13 175.223 0.30 . 1 . . . A 115 LYS C . 30063 1 1357 . 1 1 115 115 LYS CA C 13 55.764 0.30 . 1 . . . A 115 LYS CA . 30063 1 1358 . 1 1 115 115 LYS CB C 13 31.777 0.30 . 1 . . . A 115 LYS CB . 30063 1 1359 . 1 1 115 115 LYS CG C 13 24.468 0.30 . 1 . . . A 115 LYS CG . 30063 1 1360 . 1 1 115 115 LYS CD C 13 29.134 0.30 . 1 . . . A 115 LYS CD . 30063 1 1361 . 1 1 115 115 LYS CE C 13 42.186 0.30 . 1 . . . A 115 LYS CE . 30063 1 1362 . 1 1 115 115 LYS N N 15 123.770 0.30 . 1 . . . A 115 LYS N . 30063 1 1363 . 1 1 116 116 LEU H H 1 7.871 0.02 . 1 . . . A 116 LEU H . 30063 1 1364 . 1 1 116 116 LEU HA H 1 4.737 0.02 . 1 . . . A 116 LEU HA . 30063 1 1365 . 1 1 116 116 LEU HB2 H 1 1.563 0.02 . 2 . . . A 116 LEU HB2 . 30063 1 1366 . 1 1 116 116 LEU HB3 H 1 1.344 0.02 . 2 . . . A 116 LEU HB3 . 30063 1 1367 . 1 1 116 116 LEU HG H 1 1.547 0.02 . 1 . . . A 116 LEU HG . 30063 1 1368 . 1 1 116 116 LEU HD11 H 1 0.746 0.02 . 2 . . . A 116 LEU HD11 . 30063 1 1369 . 1 1 116 116 LEU HD12 H 1 0.746 0.02 . 2 . . . A 116 LEU HD12 . 30063 1 1370 . 1 1 116 116 LEU HD13 H 1 0.746 0.02 . 2 . . . A 116 LEU HD13 . 30063 1 1371 . 1 1 116 116 LEU HD21 H 1 0.780 0.02 . 2 . . . A 116 LEU HD21 . 30063 1 1372 . 1 1 116 116 LEU HD22 H 1 0.780 0.02 . 2 . . . A 116 LEU HD22 . 30063 1 1373 . 1 1 116 116 LEU HD23 H 1 0.780 0.02 . 2 . . . A 116 LEU HD23 . 30063 1 1374 . 1 1 116 116 LEU C C 13 178.059 0.30 . 1 . . . A 116 LEU C . 30063 1 1375 . 1 1 116 116 LEU CA C 13 54.428 0.30 . 1 . . . A 116 LEU CA . 30063 1 1376 . 1 1 116 116 LEU CB C 13 44.919 0.30 . 1 . . . A 116 LEU CB . 30063 1 1377 . 1 1 116 116 LEU CG C 13 28.123 0.30 . 1 . . . A 116 LEU CG . 30063 1 1378 . 1 1 116 116 LEU CD1 C 13 26.935 0.30 . 2 . . . A 116 LEU CD1 . 30063 1 1379 . 1 1 116 116 LEU CD2 C 13 24.414 0.30 . 2 . . . A 116 LEU CD2 . 30063 1 1380 . 1 1 116 116 LEU N N 15 125.169 0.30 . 1 . . . A 116 LEU N . 30063 1 1381 . 1 1 117 117 THR H H 1 9.236 0.02 . 1 . . . A 117 THR H . 30063 1 1382 . 1 1 117 117 THR HA H 1 4.411 0.02 . 1 . . . A 117 THR HA . 30063 1 1383 . 1 1 117 117 THR HB H 1 4.714 0.02 . 1 . . . A 117 THR HB . 30063 1 1384 . 1 1 117 117 THR HG21 H 1 1.309 0.02 . 1 . . . A 117 THR HG21 . 30063 1 1385 . 1 1 117 117 THR HG22 H 1 1.309 0.02 . 1 . . . A 117 THR HG22 . 30063 1 1386 . 1 1 117 117 THR HG23 H 1 1.309 0.02 . 1 . . . A 117 THR HG23 . 30063 1 1387 . 1 1 117 117 THR C C 13 175.447 0.30 . 1 . . . A 117 THR C . 30063 1 1388 . 1 1 117 117 THR CA C 13 60.747 0.30 . 1 . . . A 117 THR CA . 30063 1 1389 . 1 1 117 117 THR CB C 13 71.255 0.30 . 1 . . . A 117 THR CB . 30063 1 1390 . 1 1 117 117 THR CG2 C 13 21.936 0.30 . 1 . . . A 117 THR CG2 . 30063 1 1391 . 1 1 117 117 THR N N 15 114.872 0.30 . 1 . . . A 117 THR N . 30063 1 1392 . 1 1 118 118 ASP H H 1 8.812 0.02 . 1 . . . A 118 ASP H . 30063 1 1393 . 1 1 118 118 ASP HA H 1 4.147 0.02 . 1 . . . A 118 ASP HA . 30063 1 1394 . 1 1 118 118 ASP HB2 H 1 2.697 0.02 . 2 . . . A 118 ASP HB2 . 30063 1 1395 . 1 1 118 118 ASP HB3 H 1 2.557 0.02 . 2 . . . A 118 ASP HB3 . 30063 1 1396 . 1 1 118 118 ASP C C 13 178.499 0.30 . 1 . . . A 118 ASP C . 30063 1 1397 . 1 1 118 118 ASP CA C 13 58.201 0.30 . 1 . . . A 118 ASP CA . 30063 1 1398 . 1 1 118 118 ASP CB C 13 39.656 0.30 . 1 . . . A 118 ASP CB . 30063 1 1399 . 1 1 118 118 ASP N N 15 121.051 0.30 . 1 . . . A 118 ASP N . 30063 1 1400 . 1 1 119 119 GLU H H 1 8.503 0.02 . 1 . . . A 119 GLU H . 30063 1 1401 . 1 1 119 119 GLU HA H 1 4.063 0.02 . 1 . . . A 119 GLU HA . 30063 1 1402 . 1 1 119 119 GLU HB2 H 1 1.920 0.02 . 2 . . . A 119 GLU HB2 . 30063 1 1403 . 1 1 119 119 GLU HB3 H 1 2.025 0.02 . 2 . . . A 119 GLU HB3 . 30063 1 1404 . 1 1 119 119 GLU HG2 H 1 2.301 0.02 . 2 . . . A 119 GLU HG2 . 30063 1 1405 . 1 1 119 119 GLU HG3 H 1 2.279 0.02 . 2 . . . A 119 GLU HG3 . 30063 1 1406 . 1 1 119 119 GLU C C 13 179.123 0.30 . 1 . . . A 119 GLU C . 30063 1 1407 . 1 1 119 119 GLU CA C 13 59.833 0.30 . 1 . . . A 119 GLU CA . 30063 1 1408 . 1 1 119 119 GLU CB C 13 29.262 0.30 . 1 . . . A 119 GLU CB . 30063 1 1409 . 1 1 119 119 GLU CG C 13 37.405 0.30 . 1 . . . A 119 GLU CG . 30063 1 1410 . 1 1 119 119 GLU N N 15 118.866 0.30 . 1 . . . A 119 GLU N . 30063 1 1411 . 1 1 120 120 GLU H H 1 7.590 0.02 . 1 . . . A 120 GLU H . 30063 1 1412 . 1 1 120 120 GLU HA H 1 3.753 0.02 . 1 . . . A 120 GLU HA . 30063 1 1413 . 1 1 120 120 GLU HB2 H 1 2.279 0.02 . 2 . . . A 120 GLU HB2 . 30063 1 1414 . 1 1 120 120 GLU HB3 H 1 2.296 0.02 . 2 . . . A 120 GLU HB3 . 30063 1 1415 . 1 1 120 120 GLU HG2 H 1 2.030 0.02 . 2 . . . A 120 GLU HG2 . 30063 1 1416 . 1 1 120 120 GLU HG3 H 1 2.310 0.02 . 2 . . . A 120 GLU HG3 . 30063 1 1417 . 1 1 120 120 GLU C C 13 178.296 0.30 . 1 . . . A 120 GLU C . 30063 1 1418 . 1 1 120 120 GLU CA C 13 59.342 0.30 . 1 . . . A 120 GLU CA . 30063 1 1419 . 1 1 120 120 GLU CB C 13 30.373 0.30 . 1 . . . A 120 GLU CB . 30063 1 1420 . 1 1 120 120 GLU CG C 13 37.967 0.30 . 1 . . . A 120 GLU CG . 30063 1 1421 . 1 1 120 120 GLU N N 15 121.084 0.30 . 1 . . . A 120 GLU N . 30063 1 1422 . 1 1 121 121 VAL H H 1 7.895 0.02 . 1 . . . A 121 VAL H . 30063 1 1423 . 1 1 121 121 VAL HA H 1 3.297 0.02 . 1 . . . A 121 VAL HA . 30063 1 1424 . 1 1 121 121 VAL HB H 1 2.117 0.02 . 1 . . . A 121 VAL HB . 30063 1 1425 . 1 1 121 121 VAL HG11 H 1 0.842 0.02 . 2 . . . A 121 VAL HG11 . 30063 1 1426 . 1 1 121 121 VAL HG12 H 1 0.842 0.02 . 2 . . . A 121 VAL HG12 . 30063 1 1427 . 1 1 121 121 VAL HG13 H 1 0.842 0.02 . 2 . . . A 121 VAL HG13 . 30063 1 1428 . 1 1 121 121 VAL HG21 H 1 0.884 0.02 . 2 . . . A 121 VAL HG21 . 30063 1 1429 . 1 1 121 121 VAL HG22 H 1 0.884 0.02 . 2 . . . A 121 VAL HG22 . 30063 1 1430 . 1 1 121 121 VAL HG23 H 1 0.884 0.02 . 2 . . . A 121 VAL HG23 . 30063 1 1431 . 1 1 121 121 VAL C C 13 177.451 0.30 . 1 . . . A 121 VAL C . 30063 1 1432 . 1 1 121 121 VAL CA C 13 67.112 0.30 . 1 . . . A 121 VAL CA . 30063 1 1433 . 1 1 121 121 VAL CB C 13 31.212 0.30 . 1 . . . A 121 VAL CB . 30063 1 1434 . 1 1 121 121 VAL CG1 C 13 23.635 0.30 . 2 . . . A 121 VAL CG1 . 30063 1 1435 . 1 1 121 121 VAL CG2 C 13 22.200 0.30 . 2 . . . A 121 VAL CG2 . 30063 1 1436 . 1 1 121 121 VAL N N 15 119.510 0.30 . 1 . . . A 121 VAL N . 30063 1 1437 . 1 1 122 122 ASP H H 1 7.703 0.02 . 1 . . . A 122 ASP H . 30063 1 1438 . 1 1 122 122 ASP HA H 1 4.285 0.02 . 1 . . . A 122 ASP HA . 30063 1 1439 . 1 1 122 122 ASP HB2 H 1 2.573 0.02 . 2 . . . A 122 ASP HB2 . 30063 1 1440 . 1 1 122 122 ASP HB3 H 1 2.736 0.02 . 2 . . . A 122 ASP HB3 . 30063 1 1441 . 1 1 122 122 ASP C C 13 179.339 0.30 . 1 . . . A 122 ASP C . 30063 1 1442 . 1 1 122 122 ASP CA C 13 57.652 0.30 . 1 . . . A 122 ASP CA . 30063 1 1443 . 1 1 122 122 ASP CB C 13 40.500 0.30 . 1 . . . A 122 ASP CB . 30063 1 1444 . 1 1 122 122 ASP N N 15 118.322 0.30 . 1 . . . A 122 ASP N . 30063 1 1445 . 1 1 123 123 GLU H H 1 7.858 0.02 . 1 . . . A 123 GLU H . 30063 1 1446 . 1 1 123 123 GLU HA H 1 3.972 0.02 . 1 . . . A 123 GLU HA . 30063 1 1447 . 1 1 123 123 GLU HB2 H 1 1.938 0.02 . 2 . . . A 123 GLU HB2 . 30063 1 1448 . 1 1 123 123 GLU HB3 H 1 1.938 0.02 . 2 . . . A 123 GLU HB3 . 30063 1 1449 . 1 1 123 123 GLU HG2 H 1 2.285 0.02 . 2 . . . A 123 GLU HG2 . 30063 1 1450 . 1 1 123 123 GLU HG3 H 1 2.300 0.02 . 2 . . . A 123 GLU HG3 . 30063 1 1451 . 1 1 123 123 GLU C C 13 178.103 0.30 . 1 . . . A 123 GLU C . 30063 1 1452 . 1 1 123 123 GLU CA C 13 59.061 0.30 . 1 . . . A 123 GLU CA . 30063 1 1453 . 1 1 123 123 GLU CB C 13 29.248 0.30 . 1 . . . A 123 GLU CB . 30063 1 1454 . 1 1 123 123 GLU CG C 13 36.280 0.30 . 1 . . . A 123 GLU CG . 30063 1 1455 . 1 1 123 123 GLU N N 15 120.527 0.30 . 1 . . . A 123 GLU N . 30063 1 1456 . 1 1 124 124 MET H H 1 8.068 0.02 . 1 . . . A 124 MET H . 30063 1 1457 . 1 1 124 124 MET HA H 1 3.707 0.02 . 1 . . . A 124 MET HA . 30063 1 1458 . 1 1 124 124 MET HB2 H 1 2.356 0.02 . 2 . . . A 124 MET HB2 . 30063 1 1459 . 1 1 124 124 MET HB3 H 1 1.915 0.02 . 2 . . . A 124 MET HB3 . 30063 1 1460 . 1 1 124 124 MET HG2 H 1 1.904 0.02 . 2 . . . A 124 MET HG2 . 30063 1 1461 . 1 1 124 124 MET HG3 H 1 2.384 0.02 . 2 . . . A 124 MET HG3 . 30063 1 1462 . 1 1 124 124 MET HE1 H 1 0.628 0.02 . 1 . . . A 124 MET HE1 . 30063 1 1463 . 1 1 124 124 MET HE2 H 1 0.628 0.02 . 1 . . . A 124 MET HE2 . 30063 1 1464 . 1 1 124 124 MET HE3 H 1 0.628 0.02 . 1 . . . A 124 MET HE3 . 30063 1 1465 . 1 1 124 124 MET C C 13 179.615 0.30 . 1 . . . A 124 MET C . 30063 1 1466 . 1 1 124 124 MET CA C 13 60.670 0.30 . 1 . . . A 124 MET CA . 30063 1 1467 . 1 1 124 124 MET CB C 13 32.905 0.30 . 1 . . . A 124 MET CB . 30063 1 1468 . 1 1 124 124 MET CG C 13 33.261 0.30 . 1 . . . A 124 MET CG . 30063 1 1469 . 1 1 124 124 MET CE C 13 15.186 0.30 . 1 . . . A 124 MET CE . 30063 1 1470 . 1 1 124 124 MET N N 15 120.423 0.30 . 1 . . . A 124 MET N . 30063 1 1471 . 1 1 125 125 ILE H H 1 7.763 0.02 . 1 . . . A 125 ILE H . 30063 1 1472 . 1 1 125 125 ILE HA H 1 3.801 0.02 . 1 . . . A 125 ILE HA . 30063 1 1473 . 1 1 125 125 ILE HB H 1 2.246 0.02 . 1 . . . A 125 ILE HB . 30063 1 1474 . 1 1 125 125 ILE HG12 H 1 1.587 0.02 . 2 . . . A 125 ILE HG12 . 30063 1 1475 . 1 1 125 125 ILE HG13 H 1 1.437 0.02 . 2 . . . A 125 ILE HG13 . 30063 1 1476 . 1 1 125 125 ILE HG21 H 1 0.778 0.02 . 1 . . . A 125 ILE HG21 . 30063 1 1477 . 1 1 125 125 ILE HG22 H 1 0.778 0.02 . 1 . . . A 125 ILE HG22 . 30063 1 1478 . 1 1 125 125 ILE HG23 H 1 0.778 0.02 . 1 . . . A 125 ILE HG23 . 30063 1 1479 . 1 1 125 125 ILE HD11 H 1 0.796 0.02 . 1 . . . A 125 ILE HD11 . 30063 1 1480 . 1 1 125 125 ILE HD12 H 1 0.796 0.02 . 1 . . . A 125 ILE HD12 . 30063 1 1481 . 1 1 125 125 ILE HD13 H 1 0.796 0.02 . 1 . . . A 125 ILE HD13 . 30063 1 1482 . 1 1 125 125 ILE C C 13 177.158 0.30 . 1 . . . A 125 ILE C . 30063 1 1483 . 1 1 125 125 ILE CA C 13 63.108 0.30 . 1 . . . A 125 ILE CA . 30063 1 1484 . 1 1 125 125 ILE CB C 13 36.280 0.30 . 1 . . . A 125 ILE CB . 30063 1 1485 . 1 1 125 125 ILE CG1 C 13 27.570 0.30 . 1 . . . A 125 ILE CG1 . 30063 1 1486 . 1 1 125 125 ILE CG2 C 13 16.352 0.30 . 1 . . . A 125 ILE CG2 . 30063 1 1487 . 1 1 125 125 ILE CD1 C 13 10.322 0.30 . 1 . . . A 125 ILE CD1 . 30063 1 1488 . 1 1 125 125 ILE N N 15 118.614 0.30 . 1 . . . A 125 ILE N . 30063 1 1489 . 1 1 126 126 ARG H H 1 8.213 0.02 . 1 . . . A 126 ARG H . 30063 1 1490 . 1 1 126 126 ARG HA H 1 4.022 0.02 . 1 . . . A 126 ARG HA . 30063 1 1491 . 1 1 126 126 ARG HB2 H 1 1.920 0.02 . 1 . . . A 126 ARG HB2 . 30063 1 1492 . 1 1 126 126 ARG HB3 H 1 1.862 0.02 . 1 . . . A 126 ARG HB3 . 30063 1 1493 . 1 1 126 126 ARG HG2 H 1 1.627 0.02 . 1 . . . A 126 ARG HG2 . 30063 1 1494 . 1 1 126 126 ARG HG3 H 1 1.627 0.02 . 1 . . . A 126 ARG HG3 . 30063 1 1495 . 1 1 126 126 ARG HD2 H 1 3.211 0.02 . 1 . . . A 126 ARG HD2 . 30063 1 1496 . 1 1 126 126 ARG HD3 H 1 3.240 0.02 . 1 . . . A 126 ARG HD3 . 30063 1 1497 . 1 1 126 126 ARG C C 13 179.197 0.30 . 1 . . . A 126 ARG C . 30063 1 1498 . 1 1 126 126 ARG CA C 13 60.186 0.30 . 1 . . . A 126 ARG CA . 30063 1 1499 . 1 1 126 126 ARG CB C 13 30.377 0.30 . 1 . . . A 126 ARG CB . 30063 1 1500 . 1 1 126 126 ARG CG C 13 27.730 0.30 . 1 . . . A 126 ARG CG . 30063 1 1501 . 1 1 126 126 ARG CD C 13 43.576 0.30 . 1 . . . A 126 ARG CD . 30063 1 1502 . 1 1 126 126 ARG N N 15 118.529 0.30 . 1 . . . A 126 ARG N . 30063 1 1503 . 1 1 127 127 GLU H H 1 8.086 0.02 . 1 . . . A 127 GLU H . 30063 1 1504 . 1 1 127 127 GLU HA H 1 4.005 0.02 . 1 . . . A 127 GLU HA . 30063 1 1505 . 1 1 127 127 GLU HB2 H 1 1.940 0.02 . 2 . . . A 127 GLU HB2 . 30063 1 1506 . 1 1 127 127 GLU HB3 H 1 1.878 0.02 . 2 . . . A 127 GLU HB3 . 30063 1 1507 . 1 1 127 127 GLU HG2 H 1 2.351 0.02 . 2 . . . A 127 GLU HG2 . 30063 1 1508 . 1 1 127 127 GLU C C 13 176.764 0.30 . 1 . . . A 127 GLU C . 30063 1 1509 . 1 1 127 127 GLU CA C 13 58.570 0.30 . 1 . . . A 127 GLU CA . 30063 1 1510 . 1 1 127 127 GLU CB C 13 29.467 0.30 . 1 . . . A 127 GLU CB . 30063 1 1511 . 1 1 127 127 GLU CG C 13 36.280 0.30 . 1 . . . A 127 GLU CG . 30063 1 1512 . 1 1 127 127 GLU N N 15 115.313 0.30 . 1 . . . A 127 GLU N . 30063 1 1513 . 1 1 128 128 ALA H H 1 7.075 0.02 . 1 . . . A 128 ALA H . 30063 1 1514 . 1 1 128 128 ALA HA H 1 4.429 0.02 . 1 . . . A 128 ALA HA . 30063 1 1515 . 1 1 128 128 ALA HB1 H 1 1.259 0.02 . 1 . . . A 128 ALA HB1 . 30063 1 1516 . 1 1 128 128 ALA HB2 H 1 1.259 0.02 . 1 . . . A 128 ALA HB2 . 30063 1 1517 . 1 1 128 128 ALA HB3 H 1 1.259 0.02 . 1 . . . A 128 ALA HB3 . 30063 1 1518 . 1 1 128 128 ALA C C 13 177.175 0.30 . 1 . . . A 128 ALA C . 30063 1 1519 . 1 1 128 128 ALA CA C 13 51.830 0.30 . 1 . . . A 128 ALA CA . 30063 1 1520 . 1 1 128 128 ALA CB C 13 20.818 0.30 . 1 . . . A 128 ALA CB . 30063 1 1521 . 1 1 128 128 ALA N N 15 118.142 0.30 . 1 . . . A 128 ALA N . 30063 1 1522 . 1 1 129 129 ASP H H 1 7.741 0.02 . 1 . . . A 129 ASP H . 30063 1 1523 . 1 1 129 129 ASP HA H 1 4.477 0.02 . 1 . . . A 129 ASP HA . 30063 1 1524 . 1 1 129 129 ASP HB2 H 1 2.861 0.02 . 2 . . . A 129 ASP HB2 . 30063 1 1525 . 1 1 129 129 ASP HB3 H 1 2.475 0.02 . 2 . . . A 129 ASP HB3 . 30063 1 1526 . 1 1 129 129 ASP C C 13 175.809 0.30 . 1 . . . A 129 ASP C . 30063 1 1527 . 1 1 129 129 ASP CA C 13 54.280 0.30 . 1 . . . A 129 ASP CA . 30063 1 1528 . 1 1 129 129 ASP CB C 13 40.766 0.30 . 1 . . . A 129 ASP CB . 30063 1 1529 . 1 1 129 129 ASP N N 15 118.194 0.30 . 1 . . . A 129 ASP N . 30063 1 1530 . 1 1 130 130 ILE H H 1 8.159 0.02 . 1 . . . A 130 ILE H . 30063 1 1531 . 1 1 130 130 ILE HA H 1 3.887 0.02 . 1 . . . A 130 ILE HA . 30063 1 1532 . 1 1 130 130 ILE HB H 1 1.959 0.02 . 1 . . . A 130 ILE HB . 30063 1 1533 . 1 1 130 130 ILE HG12 H 1 1.675 0.02 . 2 . . . A 130 ILE HG12 . 30063 1 1534 . 1 1 130 130 ILE HG13 H 1 1.273 0.02 . 2 . . . A 130 ILE HG13 . 30063 1 1535 . 1 1 130 130 ILE HG21 H 1 0.911 0.02 . 1 . . . A 130 ILE HG21 . 30063 1 1536 . 1 1 130 130 ILE HG22 H 1 0.911 0.02 . 1 . . . A 130 ILE HG22 . 30063 1 1537 . 1 1 130 130 ILE HG23 H 1 0.911 0.02 . 1 . . . A 130 ILE HG23 . 30063 1 1538 . 1 1 130 130 ILE HD11 H 1 0.888 0.02 . 1 . . . A 130 ILE HD11 . 30063 1 1539 . 1 1 130 130 ILE HD12 H 1 0.888 0.02 . 1 . . . A 130 ILE HD12 . 30063 1 1540 . 1 1 130 130 ILE HD13 H 1 0.888 0.02 . 1 . . . A 130 ILE HD13 . 30063 1 1541 . 1 1 130 130 ILE C C 13 177.963 0.30 . 1 . . . A 130 ILE C . 30063 1 1542 . 1 1 130 130 ILE CA C 13 63.523 0.30 . 1 . . . A 130 ILE CA . 30063 1 1543 . 1 1 130 130 ILE CB C 13 38.714 0.30 . 1 . . . A 130 ILE CB . 30063 1 1544 . 1 1 130 130 ILE CG1 C 13 27.849 0.30 . 1 . . . A 130 ILE CG1 . 30063 1 1545 . 1 1 130 130 ILE CG2 C 13 17.410 0.30 . 1 . . . A 130 ILE CG2 . 30063 1 1546 . 1 1 130 130 ILE CD1 C 13 12.936 0.30 . 1 . . . A 130 ILE CD1 . 30063 1 1547 . 1 1 130 130 ILE N N 15 127.523 0.30 . 1 . . . A 130 ILE N . 30063 1 1548 . 1 1 131 131 ASP H H 1 8.388 0.02 . 1 . . . A 131 ASP H . 30063 1 1549 . 1 1 131 131 ASP HA H 1 4.503 0.02 . 1 . . . A 131 ASP HA . 30063 1 1550 . 1 1 131 131 ASP HB2 H 1 3.058 0.02 . 2 . . . A 131 ASP HB2 . 30063 1 1551 . 1 1 131 131 ASP HB3 H 1 2.632 0.02 . 2 . . . A 131 ASP HB3 . 30063 1 1552 . 1 1 131 131 ASP C C 13 178.283 0.30 . 1 . . . A 131 ASP C . 30063 1 1553 . 1 1 131 131 ASP CA C 13 54.280 0.30 . 1 . . . A 131 ASP CA . 30063 1 1554 . 1 1 131 131 ASP CB C 13 40.217 0.30 . 1 . . . A 131 ASP CB . 30063 1 1555 . 1 1 131 131 ASP N N 15 116.783 0.30 . 1 . . . A 131 ASP N . 30063 1 1556 . 1 1 132 132 GLY H H 1 7.666 0.02 . 1 . . . A 132 GLY H . 30063 1 1557 . 1 1 132 132 GLY HA2 H 1 3.866 0.02 . 2 . . . A 132 GLY HA2 . 30063 1 1558 . 1 1 132 132 GLY HA3 H 1 3.862 0.02 . 2 . . . A 132 GLY HA3 . 30063 1 1559 . 1 1 132 132 GLY C C 13 175.358 0.30 . 1 . . . A 132 GLY C . 30063 1 1560 . 1 1 132 132 GLY CA C 13 47.530 0.30 . 1 . . . A 132 GLY CA . 30063 1 1561 . 1 1 132 132 GLY N N 15 108.799 0.30 . 1 . . . A 132 GLY N . 30063 1 1562 . 1 1 133 133 ASP H H 1 8.394 0.02 . 1 . . . A 133 ASP H . 30063 1 1563 . 1 1 133 133 ASP HA H 1 4.460 0.02 . 1 . . . A 133 ASP HA . 30063 1 1564 . 1 1 133 133 ASP HB2 H 1 2.954 0.02 . 2 . . . A 133 ASP HB2 . 30063 1 1565 . 1 1 133 133 ASP HB3 H 1 2.501 0.02 . 2 . . . A 133 ASP HB3 . 30063 1 1566 . 1 1 133 133 ASP C C 13 177.529 0.30 . 1 . . . A 133 ASP C . 30063 1 1567 . 1 1 133 133 ASP CA C 13 53.728 0.30 . 1 . . . A 133 ASP CA . 30063 1 1568 . 1 1 133 133 ASP CB C 13 40.498 0.30 . 1 . . . A 133 ASP CB . 30063 1 1569 . 1 1 133 133 ASP N N 15 121.000 0.30 . 1 . . . A 133 ASP N . 30063 1 1570 . 1 1 134 134 GLY H H 1 10.256 0.02 . 1 . . . A 134 GLY H . 30063 1 1571 . 1 1 134 134 GLY HA2 H 1 3.445 0.02 . 2 . . . A 134 GLY HA2 . 30063 1 1572 . 1 1 134 134 GLY HA3 H 1 4.049 0.02 . 2 . . . A 134 GLY HA3 . 30063 1 1573 . 1 1 134 134 GLY C C 13 172.843 0.30 . 1 . . . A 134 GLY C . 30063 1 1574 . 1 1 134 134 GLY CA C 13 45.782 0.30 . 1 . . . A 134 GLY CA . 30063 1 1575 . 1 1 134 134 GLY N N 15 112.789 0.30 . 1 . . . A 134 GLY N . 30063 1 1576 . 1 1 135 135 GLN H H 1 7.961 0.02 . 1 . . . A 135 GLN H . 30063 1 1577 . 1 1 135 135 GLN HA H 1 4.966 0.02 . 1 . . . A 135 GLN HA . 30063 1 1578 . 1 1 135 135 GLN HB2 H 1 2.026 0.02 . 2 . . . A 135 GLN HB2 . 30063 1 1579 . 1 1 135 135 GLN HB3 H 1 1.747 0.02 . 2 . . . A 135 GLN HB3 . 30063 1 1580 . 1 1 135 135 GLN HG2 H 1 2.024 0.02 . 2 . . . A 135 GLN HG2 . 30063 1 1581 . 1 1 135 135 GLN HG3 H 1 1.954 0.02 . 2 . . . A 135 GLN HG3 . 30063 1 1582 . 1 1 135 135 GLN HE21 H 1 6.507 0.02 . 1 . . . A 135 GLN HE21 . 30063 1 1583 . 1 1 135 135 GLN HE22 H 1 5.906 0.02 . 1 . . . A 135 GLN HE22 . 30063 1 1584 . 1 1 135 135 GLN C C 13 175.047 0.30 . 1 . . . A 135 GLN C . 30063 1 1585 . 1 1 135 135 GLN CA C 13 53.362 0.30 . 1 . . . A 135 GLN CA . 30063 1 1586 . 1 1 135 135 GLN CB C 13 32.913 0.30 . 1 . . . A 135 GLN CB . 30063 1 1587 . 1 1 135 135 GLN CG C 13 33.190 0.30 . 1 . . . A 135 GLN CG . 30063 1 1588 . 1 1 135 135 GLN N N 15 115.344 0.30 . 1 . . . A 135 GLN N . 30063 1 1589 . 1 1 135 135 GLN NE2 N 15 108.686 0.30 . 1 . . . A 135 GLN NE2 . 30063 1 1590 . 1 1 136 136 VAL H H 1 9.124 0.02 . 1 . . . A 136 VAL H . 30063 1 1591 . 1 1 136 136 VAL HA H 1 5.163 0.02 . 1 . . . A 136 VAL HA . 30063 1 1592 . 1 1 136 136 VAL HB H 1 2.301 0.02 . 1 . . . A 136 VAL HB . 30063 1 1593 . 1 1 136 136 VAL HG11 H 1 1.086 0.02 . 2 . . . A 136 VAL HG11 . 30063 1 1594 . 1 1 136 136 VAL HG12 H 1 1.086 0.02 . 2 . . . A 136 VAL HG12 . 30063 1 1595 . 1 1 136 136 VAL HG13 H 1 1.086 0.02 . 2 . . . A 136 VAL HG13 . 30063 1 1596 . 1 1 136 136 VAL HG21 H 1 1.080 0.02 . 2 . . . A 136 VAL HG21 . 30063 1 1597 . 1 1 136 136 VAL HG22 H 1 1.080 0.02 . 2 . . . A 136 VAL HG22 . 30063 1 1598 . 1 1 136 136 VAL HG23 H 1 1.080 0.02 . 2 . . . A 136 VAL HG23 . 30063 1 1599 . 1 1 136 136 VAL C C 13 175.866 0.30 . 1 . . . A 136 VAL C . 30063 1 1600 . 1 1 136 136 VAL CA C 13 61.794 0.30 . 1 . . . A 136 VAL CA . 30063 1 1601 . 1 1 136 136 VAL CB C 13 33.955 0.30 . 1 . . . A 136 VAL CB . 30063 1 1602 . 1 1 136 136 VAL CG1 C 13 23.421 0.30 . 2 . . . A 136 VAL CG1 . 30063 1 1603 . 1 1 136 136 VAL CG2 C 13 21.385 0.30 . 2 . . . A 136 VAL CG2 . 30063 1 1604 . 1 1 136 136 VAL N N 15 125.636 0.30 . 1 . . . A 136 VAL N . 30063 1 1605 . 1 1 137 137 ASN H H 1 9.602 0.02 . 1 . . . A 137 ASN H . 30063 1 1606 . 1 1 137 137 ASN HA H 1 5.323 0.02 . 1 . . . A 137 ASN HA . 30063 1 1607 . 1 1 137 137 ASN HB2 H 1 3.147 0.02 . 1 . . . A 137 ASN HB2 . 30063 1 1608 . 1 1 137 137 ASN HB3 H 1 3.139 0.02 . 1 . . . A 137 ASN HB3 . 30063 1 1609 . 1 1 137 137 ASN HD21 H 1 7.114 0.02 . 1 . . . A 137 ASN HD21 . 30063 1 1610 . 1 1 137 137 ASN HD22 H 1 6.819 0.02 . 1 . . . A 137 ASN HD22 . 30063 1 1611 . 1 1 137 137 ASN C C 13 174.831 0.30 . 1 . . . A 137 ASN C . 30063 1 1612 . 1 1 137 137 ASN CA C 13 50.915 0.30 . 1 . . . A 137 ASN CA . 30063 1 1613 . 1 1 137 137 ASN CB C 13 38.530 0.30 . 1 . . . A 137 ASN CB . 30063 1 1614 . 1 1 137 137 ASN N N 15 129.307 0.30 . 1 . . . A 137 ASN N . 30063 1 1615 . 1 1 137 137 ASN ND2 N 15 108.352 0.30 . 1 . . . A 137 ASN ND2 . 30063 1 1616 . 1 1 138 138 TYR H H 1 8.154 0.02 . 1 . . . A 138 TYR H . 30063 1 1617 . 1 1 138 138 TYR HA H 1 3.300 0.02 . 1 . . . A 138 TYR HA . 30063 1 1618 . 1 1 138 138 TYR HB2 H 1 2.371 0.02 . 1 . . . A 138 TYR HB2 . 30063 1 1619 . 1 1 138 138 TYR HB3 H 1 2.014 0.02 . 1 . . . A 138 TYR HB3 . 30063 1 1620 . 1 1 138 138 TYR HD1 H 1 6.236 0.02 . 3 . . . A 138 TYR HD1 . 30063 1 1621 . 1 1 138 138 TYR HD2 H 1 6.234 0.02 . 3 . . . A 138 TYR HD2 . 30063 1 1622 . 1 1 138 138 TYR HE1 H 1 6.939 0.02 . 3 . . . A 138 TYR HE1 . 30063 1 1623 . 1 1 138 138 TYR HE2 H 1 6.491 0.02 . 3 . . . A 138 TYR HE2 . 30063 1 1624 . 1 1 138 138 TYR C C 13 176.095 0.30 . 1 . . . A 138 TYR C . 30063 1 1625 . 1 1 138 138 TYR CA C 13 62.428 0.30 . 1 . . . A 138 TYR CA . 30063 1 1626 . 1 1 138 138 TYR CB C 13 37.971 0.30 . 1 . . . A 138 TYR CB . 30063 1 1627 . 1 1 138 138 TYR CD1 C 13 132.977 0.30 . 1 . . . A 138 TYR CD1 . 30063 1 1628 . 1 1 138 138 TYR CD2 C 13 132.977 0.30 . 1 . . . A 138 TYR CD2 . 30063 1 1629 . 1 1 138 138 TYR CE1 C 13 118.925 0.30 . 1 . . . A 138 TYR CE1 . 30063 1 1630 . 1 1 138 138 TYR CE2 C 13 118.677 0.30 . 1 . . . A 138 TYR CE2 . 30063 1 1631 . 1 1 138 138 TYR N N 15 118.517 0.30 . 1 . . . A 138 TYR N . 30063 1 1632 . 1 1 139 139 GLU H H 1 7.979 0.02 . 1 . . . A 139 GLU H . 30063 1 1633 . 1 1 139 139 GLU HA H 1 3.629 0.02 . 1 . . . A 139 GLU HA . 30063 1 1634 . 1 1 139 139 GLU HB2 H 1 1.929 0.02 . 2 . . . A 139 GLU HB2 . 30063 1 1635 . 1 1 139 139 GLU HB3 H 1 2.049 0.02 . 2 . . . A 139 GLU HB3 . 30063 1 1636 . 1 1 139 139 GLU HG2 H 1 2.317 0.02 . 2 . . . A 139 GLU HG2 . 30063 1 1637 . 1 1 139 139 GLU HG3 H 1 2.254 0.02 . 2 . . . A 139 GLU HG3 . 30063 1 1638 . 1 1 139 139 GLU C C 13 180.134 0.30 . 1 . . . A 139 GLU C . 30063 1 1639 . 1 1 139 139 GLU CA C 13 60.260 0.30 . 1 . . . A 139 GLU CA . 30063 1 1640 . 1 1 139 139 GLU CB C 13 29.237 0.30 . 1 . . . A 139 GLU CB . 30063 1 1641 . 1 1 139 139 GLU CG C 13 37.196 0.30 . 1 . . . A 139 GLU CG . 30063 1 1642 . 1 1 139 139 GLU N N 15 118.317 0.30 . 1 . . . A 139 GLU N . 30063 1 1643 . 1 1 140 140 GLU H H 1 8.648 0.02 . 1 . . . A 140 GLU H . 30063 1 1644 . 1 1 140 140 GLU HA H 1 3.840 0.02 . 1 . . . A 140 GLU HA . 30063 1 1645 . 1 1 140 140 GLU HB2 H 1 2.324 0.02 . 2 . . . A 140 GLU HB2 . 30063 1 1646 . 1 1 140 140 GLU HB3 H 1 2.324 0.02 . 2 . . . A 140 GLU HB3 . 30063 1 1647 . 1 1 140 140 GLU HG2 H 1 2.332 0.02 . 2 . . . A 140 GLU HG2 . 30063 1 1648 . 1 1 140 140 GLU HG3 H 1 2.844 0.02 . 2 . . . A 140 GLU HG3 . 30063 1 1649 . 1 1 140 140 GLU C C 13 179.096 0.30 . 1 . . . A 140 GLU C . 30063 1 1650 . 1 1 140 140 GLU CA C 13 58.772 0.30 . 1 . . . A 140 GLU CA . 30063 1 1651 . 1 1 140 140 GLU CB C 13 29.322 0.30 . 1 . . . A 140 GLU CB . 30063 1 1652 . 1 1 140 140 GLU CG C 13 37.181 0.30 . 1 . . . A 140 GLU CG . 30063 1 1653 . 1 1 140 140 GLU N N 15 120.054 0.30 . 1 . . . A 140 GLU N . 30063 1 1654 . 1 1 141 141 PHE H H 1 8.437 0.02 . 1 . . . A 141 PHE H . 30063 1 1655 . 1 1 141 141 PHE HA H 1 3.501 0.02 . 1 . . . A 141 PHE HA . 30063 1 1656 . 1 1 141 141 PHE HB2 H 1 2.936 0.02 . 2 . . . A 141 PHE HB2 . 30063 1 1657 . 1 1 141 141 PHE HB3 H 1 3.279 0.02 . 2 . . . A 141 PHE HB3 . 30063 1 1658 . 1 1 141 141 PHE HD1 H 1 6.636 0.02 . 3 . . . A 141 PHE HD1 . 30063 1 1659 . 1 1 141 141 PHE HD2 H 1 6.625 0.02 . 3 . . . A 141 PHE HD2 . 30063 1 1660 . 1 1 141 141 PHE HE1 H 1 7.072 0.02 . 3 . . . A 141 PHE HE1 . 30063 1 1661 . 1 1 141 141 PHE HE2 H 1 7.262 0.02 . 3 . . . A 141 PHE HE2 . 30063 1 1662 . 1 1 141 141 PHE C C 13 176.643 0.30 . 1 . . . A 141 PHE C . 30063 1 1663 . 1 1 141 141 PHE CA C 13 61.871 0.30 . 1 . . . A 141 PHE CA . 30063 1 1664 . 1 1 141 141 PHE CB C 13 40.222 0.30 . 1 . . . A 141 PHE CB . 30063 1 1665 . 1 1 141 141 PHE CD1 C 13 132.386 0.30 . 1 . . . A 141 PHE CD1 . 30063 1 1666 . 1 1 141 141 PHE CD2 C 13 132.386 0.30 . 1 . . . A 141 PHE CD2 . 30063 1 1667 . 1 1 141 141 PHE CE2 C 13 132.218 0.30 . 1 . . . A 141 PHE CE2 . 30063 1 1668 . 1 1 141 141 PHE N N 15 123.594 0.30 . 1 . . . A 141 PHE N . 30063 1 1669 . 1 1 142 142 VAL H H 1 8.569 0.02 . 1 . . . A 142 VAL H . 30063 1 1670 . 1 1 142 142 VAL HA H 1 3.098 0.02 . 1 . . . A 142 VAL HA . 30063 1 1671 . 1 1 142 142 VAL HB H 1 1.774 0.02 . 1 . . . A 142 VAL HB . 30063 1 1672 . 1 1 142 142 VAL HG11 H 1 0.456 0.02 . 2 . . . A 142 VAL HG11 . 30063 1 1673 . 1 1 142 142 VAL HG12 H 1 0.456 0.02 . 2 . . . A 142 VAL HG12 . 30063 1 1674 . 1 1 142 142 VAL HG13 H 1 0.456 0.02 . 2 . . . A 142 VAL HG13 . 30063 1 1675 . 1 1 142 142 VAL HG21 H 1 0.703 0.02 . 2 . . . A 142 VAL HG21 . 30063 1 1676 . 1 1 142 142 VAL HG22 H 1 0.703 0.02 . 2 . . . A 142 VAL HG22 . 30063 1 1677 . 1 1 142 142 VAL HG23 H 1 0.703 0.02 . 2 . . . A 142 VAL HG23 . 30063 1 1678 . 1 1 142 142 VAL C C 13 179.399 0.30 . 1 . . . A 142 VAL C . 30063 1 1679 . 1 1 142 142 VAL CA C 13 66.938 0.30 . 1 . . . A 142 VAL CA . 30063 1 1680 . 1 1 142 142 VAL CB C 13 31.505 0.30 . 1 . . . A 142 VAL CB . 30063 1 1681 . 1 1 142 142 VAL CG1 C 13 23.061 0.30 . 2 . . . A 142 VAL CG1 . 30063 1 1682 . 1 1 142 142 VAL CG2 C 13 21.412 0.30 . 2 . . . A 142 VAL CG2 . 30063 1 1683 . 1 1 142 142 VAL N N 15 118.806 0.30 . 1 . . . A 142 VAL N . 30063 1 1684 . 1 1 143 143 GLN H H 1 7.698 0.02 . 1 . . . A 143 GLN H . 30063 1 1685 . 1 1 143 143 GLN HA H 1 3.815 0.02 . 1 . . . A 143 GLN HA . 30063 1 1686 . 1 1 143 143 GLN HB2 H 1 2.045 0.02 . 2 . . . A 143 GLN HB2 . 30063 1 1687 . 1 1 143 143 GLN HB3 H 1 2.047 0.02 . 2 . . . A 143 GLN HB3 . 30063 1 1688 . 1 1 143 143 GLN HG2 H 1 2.377 0.02 . 2 . . . A 143 GLN HG2 . 30063 1 1689 . 1 1 143 143 GLN HG3 H 1 2.368 0.02 . 2 . . . A 143 GLN HG3 . 30063 1 1690 . 1 1 143 143 GLN HE21 H 1 7.368 0.02 . 1 . . . A 143 GLN HE21 . 30063 1 1691 . 1 1 143 143 GLN HE22 H 1 6.692 0.02 . 1 . . . A 143 GLN HE22 . 30063 1 1692 . 1 1 143 143 GLN C C 13 177.741 0.30 . 1 . . . A 143 GLN C . 30063 1 1693 . 1 1 143 143 GLN CA C 13 58.780 0.30 . 1 . . . A 143 GLN CA . 30063 1 1694 . 1 1 143 143 GLN CB C 13 28.107 0.30 . 1 . . . A 143 GLN CB . 30063 1 1695 . 1 1 143 143 GLN CG C 13 34.210 0.30 . 1 . . . A 143 GLN CG . 30063 1 1696 . 1 1 143 143 GLN CD C 13 178.200 0.30 . 1 . . . A 143 GLN CD . 30063 1 1697 . 1 1 143 143 GLN N N 15 119.311 0.30 . 1 . . . A 143 GLN N . 30063 1 1698 . 1 1 143 143 GLN NE2 N 15 111.679 0.30 . 1 . . . A 143 GLN NE2 . 30063 1 1699 . 1 1 144 144 MET H H 1 7.270 0.02 . 1 . . . A 144 MET H . 30063 1 1700 . 1 1 144 144 MET HA H 1 3.927 0.02 . 1 . . . A 144 MET HA . 30063 1 1701 . 1 1 144 144 MET HB2 H 1 1.662 0.02 . 2 . . . A 144 MET HB2 . 30063 1 1702 . 1 1 144 144 MET HB3 H 1 1.792 0.02 . 2 . . . A 144 MET HB3 . 30063 1 1703 . 1 1 144 144 MET HG2 H 1 1.761 0.02 . 2 . . . A 144 MET HG2 . 30063 1 1704 . 1 1 144 144 MET HG3 H 1 1.654 0.02 . 2 . . . A 144 MET HG3 . 30063 1 1705 . 1 1 144 144 MET HE1 H 1 1.109 0.02 . 1 . . . A 144 MET HE1 . 30063 1 1706 . 1 1 144 144 MET HE2 H 1 1.109 0.02 . 1 . . . A 144 MET HE2 . 30063 1 1707 . 1 1 144 144 MET HE3 H 1 1.109 0.02 . 1 . . . A 144 MET HE3 . 30063 1 1708 . 1 1 144 144 MET C C 13 177.525 0.30 . 1 . . . A 144 MET C . 30063 1 1709 . 1 1 144 144 MET CA C 13 57.092 0.30 . 1 . . . A 144 MET CA . 30063 1 1710 . 1 1 144 144 MET CB C 13 30.655 0.30 . 1 . . . A 144 MET CB . 30063 1 1711 . 1 1 144 144 MET CG C 13 30.936 0.30 . 1 . . . A 144 MET CG . 30063 1 1712 . 1 1 144 144 MET CE C 13 16.311 0.30 . 1 . . . A 144 MET CE . 30063 1 1713 . 1 1 144 144 MET N N 15 117.459 0.30 . 1 . . . A 144 MET N . 30063 1 1714 . 1 1 145 145 MET H H 1 7.659 0.02 . 1 . . . A 145 MET H . 30063 1 1715 . 1 1 145 145 MET HA H 1 3.971 0.02 . 1 . . . A 145 MET HA . 30063 1 1716 . 1 1 145 145 MET HB2 H 1 1.903 0.02 . 2 . . . A 145 MET HB2 . 30063 1 1717 . 1 1 145 145 MET HB3 H 1 1.640 0.02 . 2 . . . A 145 MET HB3 . 30063 1 1718 . 1 1 145 145 MET HG2 H 1 1.868 0.02 . 2 . . . A 145 MET HG2 . 30063 1 1719 . 1 1 145 145 MET HG3 H 1 1.868 0.02 . 2 . . . A 145 MET HG3 . 30063 1 1720 . 1 1 145 145 MET HE1 H 1 1.821 0.02 . 1 . . . A 145 MET HE1 . 30063 1 1721 . 1 1 145 145 MET HE2 H 1 1.821 0.02 . 1 . . . A 145 MET HE2 . 30063 1 1722 . 1 1 145 145 MET HE3 H 1 1.821 0.02 . 1 . . . A 145 MET HE3 . 30063 1 1723 . 1 1 145 145 MET C C 13 177.732 0.30 . 1 . . . A 145 MET C . 30063 1 1724 . 1 1 145 145 MET CA C 13 56.637 0.30 . 1 . . . A 145 MET CA . 30063 1 1725 . 1 1 145 145 MET CB C 13 32.346 0.30 . 1 . . . A 145 MET CB . 30063 1 1726 . 1 1 145 145 MET CG C 13 32.409 0.30 . 1 . . . A 145 MET CG . 30063 1 1727 . 1 1 145 145 MET CE C 13 17.155 0.30 . 1 . . . A 145 MET CE . 30063 1 1728 . 1 1 145 145 MET N N 15 115.736 0.30 . 1 . . . A 145 MET N . 30063 1 1729 . 1 1 146 146 THR H H 1 7.643 0.02 . 1 . . . A 146 THR H . 30063 1 1730 . 1 1 146 146 THR HA H 1 4.271 0.02 . 1 . . . A 146 THR HA . 30063 1 1731 . 1 1 146 146 THR HB H 1 4.253 0.02 . 1 . . . A 146 THR HB . 30063 1 1732 . 1 1 146 146 THR HG21 H 1 1.131 0.02 . 1 . . . A 146 THR HG21 . 30063 1 1733 . 1 1 146 146 THR HG22 H 1 1.131 0.02 . 1 . . . A 146 THR HG22 . 30063 1 1734 . 1 1 146 146 THR HG23 H 1 1.131 0.02 . 1 . . . A 146 THR HG23 . 30063 1 1735 . 1 1 146 146 THR C C 13 174.381 0.30 . 1 . . . A 146 THR C . 30063 1 1736 . 1 1 146 146 THR CA C 13 61.969 0.30 . 1 . . . A 146 THR CA . 30063 1 1737 . 1 1 146 146 THR CB C 13 70.493 0.30 . 1 . . . A 146 THR CB . 30063 1 1738 . 1 1 146 146 THR CG2 C 13 21.418 0.30 . 1 . . . A 146 THR CG2 . 30063 1 1739 . 1 1 146 146 THR N N 15 108.469 0.30 . 1 . . . A 146 THR N . 30063 1 1740 . 1 1 147 147 ALA H H 1 7.457 0.02 . 1 . . . A 147 ALA H . 30063 1 1741 . 1 1 147 147 ALA HA H 1 4.256 0.02 . 1 . . . A 147 ALA HA . 30063 1 1742 . 1 1 147 147 ALA HB1 H 1 1.421 0.02 . 1 . . . A 147 ALA HB1 . 30063 1 1743 . 1 1 147 147 ALA HB2 H 1 1.421 0.02 . 1 . . . A 147 ALA HB2 . 30063 1 1744 . 1 1 147 147 ALA HB3 H 1 1.421 0.02 . 1 . . . A 147 ALA HB3 . 30063 1 1745 . 1 1 147 147 ALA C C 13 176.925 0.30 . 1 . . . A 147 ALA C . 30063 1 1746 . 1 1 147 147 ALA CA C 13 53.057 0.30 . 1 . . . A 147 ALA CA . 30063 1 1747 . 1 1 147 147 ALA CB C 13 19.197 0.30 . 1 . . . A 147 ALA CB . 30063 1 1748 . 1 1 147 147 ALA N N 15 126.664 0.30 . 1 . . . A 147 ALA N . 30063 1 1749 . 1 1 148 148 LYS H H 1 7.990 0.02 . 1 . . . A 148 LYS H . 30063 1 1750 . 1 1 148 148 LYS HA H 1 4.091 0.02 . 1 . . . A 148 LYS HA . 30063 1 1751 . 1 1 148 148 LYS HB2 H 1 1.679 0.02 . 2 . . . A 148 LYS HB2 . 30063 1 1752 . 1 1 148 148 LYS HB3 H 1 1.800 0.02 . 2 . . . A 148 LYS HB3 . 30063 1 1753 . 1 1 148 148 LYS HG2 H 1 1.410 0.02 . 2 . . . A 148 LYS HG2 . 30063 1 1754 . 1 1 148 148 LYS HG3 H 1 1.410 0.02 . 2 . . . A 148 LYS HG3 . 30063 1 1755 . 1 1 148 148 LYS HD2 H 1 1.669 0.02 . 2 . . . A 148 LYS HD2 . 30063 1 1756 . 1 1 148 148 LYS HD3 H 1 1.669 0.02 . 2 . . . A 148 LYS HD3 . 30063 1 1757 . 1 1 148 148 LYS HE2 H 1 2.978 0.02 . 2 . . . A 148 LYS HE2 . 30063 1 1758 . 1 1 148 148 LYS HE3 H 1 2.988 0.02 . 2 . . . A 148 LYS HE3 . 30063 1 1759 . 1 1 148 148 LYS C C 13 181.527 0.30 . 1 . . . A 148 LYS C . 30063 1 1760 . 1 1 148 148 LYS CA C 13 57.844 0.30 . 1 . . . A 148 LYS CA . 30063 1 1761 . 1 1 148 148 LYS CB C 13 33.678 0.30 . 1 . . . A 148 LYS CB . 30063 1 1762 . 1 1 148 148 LYS CG C 13 24.748 0.30 . 1 . . . A 148 LYS CG . 30063 1 1763 . 1 1 148 148 LYS CD C 13 29.155 0.30 . 1 . . . A 148 LYS CD . 30063 1 1764 . 1 1 148 148 LYS CE C 13 42.186 0.30 . 1 . . . A 148 LYS CE . 30063 1 1765 . 1 1 148 148 LYS N N 15 126.924 0.30 . 1 . . . A 148 LYS N . 30063 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 30063 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 12 '3D HNCO' . . . 30063 2 13 '3D CBCA(CO)NH' . . . 30063 2 14 '3D HNCACB' . . . 30063 2 15 '3D HNCA' . . . 30063 2 16 '3D H(CCO)NH' . . . 30063 2 17 '3D C(CO)NH' . . . 30063 2 18 '3D HCCH-TOCSY' . . . 30063 2 19 '3D 1H-15N NOESY' . . . 30063 2 20 '3D 1H-13C NOESY aromatic' . . . 30063 2 21 '3D 1H-13C NOESY aromatic' . . . 30063 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 30063 2 3 $software_3 . . 30063 2 5 $software_5 . . 30063 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 2 2 PRO HA H 1 4.465 0.02 . 1 . . . B 75 PRO HA . 30063 2 2 . 2 2 2 2 PRO HB2 H 1 2.324 0.02 . 2 . . . B 75 PRO HB2 . 30063 2 3 . 2 2 2 2 PRO HG2 H 1 2.036 0.02 . 2 . . . B 75 PRO HG2 . 30063 2 4 . 2 2 2 2 PRO HD2 H 1 3.752 0.02 . 2 . . . B 75 PRO HD2 . 30063 2 5 . 2 2 2 2 PRO C C 13 176.595 0.30 . 1 . . . B 75 PRO C . 30063 2 6 . 2 2 2 2 PRO CA C 13 63.355 0.30 . 1 . . . B 75 PRO CA . 30063 2 7 . 2 2 2 2 PRO CB C 13 31.999 0.30 . 1 . . . B 75 PRO CB . 30063 2 8 . 2 2 2 2 PRO CG C 13 27.513 0.30 . 1 . . . B 75 PRO CG . 30063 2 9 . 2 2 2 2 PRO CD C 13 50.605 0.30 . 1 . . . B 75 PRO CD . 30063 2 10 . 2 2 3 3 ALA H H 1 8.358 0.02 . 1 . . . B 76 ALA H . 30063 2 11 . 2 2 3 3 ALA HA H 1 4.242 0.02 . 1 . . . B 76 ALA HA . 30063 2 12 . 2 2 3 3 ALA HB1 H 1 1.366 0.02 . 1 . . . B 76 ALA HB1 . 30063 2 13 . 2 2 3 3 ALA HB2 H 1 1.366 0.02 . 1 . . . B 76 ALA HB2 . 30063 2 14 . 2 2 3 3 ALA HB3 H 1 1.366 0.02 . 1 . . . B 76 ALA HB3 . 30063 2 15 . 2 2 3 3 ALA C C 13 177.623 0.30 . 1 . . . B 76 ALA C . 30063 2 16 . 2 2 3 3 ALA CA C 13 52.801 0.30 . 1 . . . B 76 ALA CA . 30063 2 17 . 2 2 3 3 ALA CB C 13 19.083 0.30 . 1 . . . B 76 ALA CB . 30063 2 18 . 2 2 3 3 ALA N N 15 123.696 0.30 . 1 . . . B 76 ALA N . 30063 2 19 . 2 2 4 4 ASN H H 1 7.853 0.02 . 1 . . . B 77 ASN H . 30063 2 20 . 2 2 4 4 ASN HA H 1 4.670 0.02 . 1 . . . B 77 ASN HA . 30063 2 21 . 2 2 4 4 ASN HB2 H 1 2.767 0.02 . 1 . . . B 77 ASN HB2 . 30063 2 22 . 2 2 4 4 ASN HD21 H 1 7.555 0.02 . 1 . . . B 77 ASN HD21 . 30063 2 23 . 2 2 4 4 ASN HD22 H 1 6.867 0.02 . 1 . . . B 77 ASN HD22 . 30063 2 24 . 2 2 4 4 ASN C C 13 175.067 0.30 . 1 . . . B 77 ASN C . 30063 2 25 . 2 2 4 4 ASN CA C 13 53.265 0.30 . 1 . . . B 77 ASN CA . 30063 2 26 . 2 2 4 4 ASN CB C 13 38.948 0.30 . 1 . . . B 77 ASN CB . 30063 2 27 . 2 2 4 4 ASN N N 15 123.316 0.30 . 1 . . . B 77 ASN N . 30063 2 28 . 2 2 4 4 ASN ND2 N 15 112.708 0.30 . 1 . . . B 77 ASN ND2 . 30063 2 29 . 2 2 5 5 SER H H 1 8.010 0.02 . 1 . . . B 78 SER H . 30063 2 30 . 2 2 5 5 SER HA H 1 4.347 0.02 . 1 . . . B 78 SER HA . 30063 2 31 . 2 2 5 5 SER HB2 H 1 3.796 0.02 . 2 . . . B 78 SER HB2 . 30063 2 32 . 2 2 5 5 SER C C 13 174.019 0.30 . 1 . . . B 78 SER C . 30063 2 33 . 2 2 5 5 SER CA C 13 58.611 0.30 . 1 . . . B 78 SER CA . 30063 2 34 . 2 2 5 5 SER CB C 13 63.457 0.30 . 1 . . . B 78 SER CB . 30063 2 35 . 2 2 5 5 SER N N 15 115.394 0.30 . 1 . . . B 78 SER N . 30063 2 36 . 2 2 6 6 PHE H H 1 8.210 0.02 . 1 . . . B 79 PHE H . 30063 2 37 . 2 2 6 6 PHE HA H 1 4.322 0.02 . 1 . . . B 79 PHE HA . 30063 2 38 . 2 2 6 6 PHE HB2 H 1 3.065 0.02 . 2 . . . B 79 PHE HB2 . 30063 2 39 . 2 2 6 6 PHE HD1 H 1 7.185 0.02 . 3 . . . B 79 PHE HD1 . 30063 2 40 . 2 2 6 6 PHE HD2 H 1 7.194 0.02 . 3 . . . B 79 PHE HD2 . 30063 2 41 . 2 2 6 6 PHE CA C 13 62.998 0.30 . 1 . . . B 79 PHE CA . 30063 2 42 . 2 2 6 6 PHE CB C 13 39.603 0.30 . 1 . . . B 79 PHE CB . 30063 2 43 . 2 2 6 6 PHE CD1 C 13 131.647 0.30 . 1 . . . B 79 PHE CD1 . 30063 2 44 . 2 2 6 6 PHE CD2 C 13 131.829 0.30 . 1 . . . B 79 PHE CD2 . 30063 2 45 . 2 2 6 6 PHE N N 15 121.620 0.30 . 1 . . . B 79 PHE N . 30063 2 46 . 2 2 7 7 HIS H H 1 8.064 0.02 . 1 . . . B 80 HIS H . 30063 2 47 . 2 2 7 7 HIS HA H 1 4.627 0.02 . 1 . . . B 80 HIS HA . 30063 2 48 . 2 2 7 7 HIS HB2 H 1 2.967 0.02 . 2 . . . B 80 HIS HB2 . 30063 2 49 . 2 2 7 7 HIS HD2 H 1 7.189 0.02 . 1 . . . B 80 HIS HD2 . 30063 2 50 . 2 2 7 7 HIS C C 13 176.856 0.30 . 1 . . . B 80 HIS C . 30063 2 51 . 2 2 7 7 HIS CA C 13 57.454 0.30 . 1 . . . B 80 HIS CA . 30063 2 52 . 2 2 7 7 HIS CB C 13 29.812 0.30 . 1 . . . B 80 HIS CB . 30063 2 53 . 2 2 7 7 HIS CD2 C 13 120.640 0.30 . 1 . . . B 80 HIS CD2 . 30063 2 54 . 2 2 7 7 HIS N N 15 119.864 0.30 . 1 . . . B 80 HIS N . 30063 2 55 . 2 2 8 8 PHE H H 1 8.994 0.02 . 1 . . . B 81 PHE H . 30063 2 56 . 2 2 8 8 PHE HA H 1 4.486 0.02 . 1 . . . B 81 PHE HA . 30063 2 57 . 2 2 8 8 PHE HB2 H 1 3.351 0.02 . 2 . . . B 81 PHE HB2 . 30063 2 58 . 2 2 8 8 PHE HD1 H 1 7.280 0.02 . 3 . . . B 81 PHE HD1 . 30063 2 59 . 2 2 8 8 PHE HD2 H 1 7.215 0.02 . 3 . . . B 81 PHE HD2 . 30063 2 60 . 2 2 8 8 PHE C C 13 176.462 0.30 . 1 . . . B 81 PHE C . 30063 2 61 . 2 2 8 8 PHE CA C 13 60.171 0.30 . 1 . . . B 81 PHE CA . 30063 2 62 . 2 2 8 8 PHE CB C 13 38.757 0.30 . 1 . . . B 81 PHE CB . 30063 2 63 . 2 2 8 8 PHE CD1 C 13 131.459 0.30 . 1 . . . B 81 PHE CD1 . 30063 2 64 . 2 2 8 8 PHE CD2 C 13 131.501 0.30 . 1 . . . B 81 PHE CD2 . 30063 2 65 . 2 2 8 8 PHE N N 15 119.724 0.30 . 1 . . . B 81 PHE N . 30063 2 66 . 2 2 9 9 LYS H H 1 7.902 0.02 . 1 . . . B 82 LYS H . 30063 2 67 . 2 2 9 9 LYS HA H 1 4.183 0.02 . 1 . . . B 82 LYS HA . 30063 2 68 . 2 2 9 9 LYS HB2 H 1 1.775 0.02 . 2 . . . B 82 LYS HB2 . 30063 2 69 . 2 2 9 9 LYS HG2 H 1 1.404 0.02 . 2 . . . B 82 LYS HG2 . 30063 2 70 . 2 2 9 9 LYS HD2 H 1 1.652 0.02 . 2 . . . B 82 LYS HD2 . 30063 2 71 . 2 2 9 9 LYS HE2 H 1 2.922 0.02 . 2 . . . B 82 LYS HE2 . 30063 2 72 . 2 2 9 9 LYS C C 13 178.634 0.30 . 1 . . . B 82 LYS C . 30063 2 73 . 2 2 9 9 LYS CA C 13 60.457 0.30 . 1 . . . B 82 LYS CA . 30063 2 74 . 2 2 9 9 LYS CB C 13 32.472 0.30 . 1 . . . B 82 LYS CB . 30063 2 75 . 2 2 9 9 LYS CG C 13 25.196 0.30 . 1 . . . B 82 LYS CG . 30063 2 76 . 2 2 9 9 LYS CD C 13 29.407 0.30 . 1 . . . B 82 LYS CD . 30063 2 77 . 2 2 9 9 LYS CE C 13 42.218 0.30 . 1 . . . B 82 LYS CE . 30063 2 78 . 2 2 9 9 LYS N N 15 122.208 0.30 . 1 . . . B 82 LYS N . 30063 2 79 . 2 2 10 10 GLU H H 1 8.110 0.02 . 1 . . . B 83 GLU H . 30063 2 80 . 2 2 10 10 GLU HA H 1 3.968 0.02 . 1 . . . B 83 GLU HA . 30063 2 81 . 2 2 10 10 GLU HB2 H 1 1.965 0.02 . 2 . . . B 83 GLU HB2 . 30063 2 82 . 2 2 10 10 GLU HG2 H 1 2.217 0.02 . 2 . . . B 83 GLU HG2 . 30063 2 83 . 2 2 10 10 GLU C C 13 178.351 0.30 . 1 . . . B 83 GLU C . 30063 2 84 . 2 2 10 10 GLU CA C 13 58.881 0.30 . 1 . . . B 83 GLU CA . 30063 2 85 . 2 2 10 10 GLU CB C 13 29.013 0.30 . 1 . . . B 83 GLU CB . 30063 2 86 . 2 2 10 10 GLU CG C 13 36.566 0.30 . 1 . . . B 83 GLU CG . 30063 2 87 . 2 2 10 10 GLU N N 15 117.513 0.30 . 1 . . . B 83 GLU N . 30063 2 88 . 2 2 11 11 ALA H H 1 7.782 0.02 . 1 . . . B 84 ALA H . 30063 2 89 . 2 2 11 11 ALA HA H 1 4.184 0.02 . 1 . . . B 84 ALA HA . 30063 2 90 . 2 2 11 11 ALA HB1 H 1 1.484 0.02 . 1 . . . B 84 ALA HB1 . 30063 2 91 . 2 2 11 11 ALA HB2 H 1 1.484 0.02 . 1 . . . B 84 ALA HB2 . 30063 2 92 . 2 2 11 11 ALA HB3 H 1 1.484 0.02 . 1 . . . B 84 ALA HB3 . 30063 2 93 . 2 2 11 11 ALA C C 13 181.068 0.30 . 1 . . . B 84 ALA C . 30063 2 94 . 2 2 11 11 ALA CA C 13 55.800 0.30 . 1 . . . B 84 ALA CA . 30063 2 95 . 2 2 11 11 ALA CB C 13 18.664 0.30 . 1 . . . B 84 ALA CB . 30063 2 96 . 2 2 11 11 ALA N N 15 122.478 0.30 . 1 . . . B 84 ALA N . 30063 2 97 . 2 2 12 12 TRP H H 1 7.997 0.02 . 1 . . . B 85 TRP H . 30063 2 98 . 2 2 12 12 TRP HA H 1 4.136 0.02 . 1 . . . B 85 TRP HA . 30063 2 99 . 2 2 12 12 TRP HB2 H 1 3.410 0.02 . 2 . . . B 85 TRP HB2 . 30063 2 100 . 2 2 12 12 TRP HD1 H 1 7.333 0.02 . 1 . . . B 85 TRP HD1 . 30063 2 101 . 2 2 12 12 TRP HE1 H 1 10.527 0.02 . 1 . . . B 85 TRP HE1 . 30063 2 102 . 2 2 12 12 TRP HE3 H 1 7.194 0.02 . 1 . . . B 85 TRP HE3 . 30063 2 103 . 2 2 12 12 TRP HZ2 H 1 7.025 0.02 . 1 . . . B 85 TRP HZ2 . 30063 2 104 . 2 2 12 12 TRP HZ3 H 1 6.753 0.02 . 1 . . . B 85 TRP HZ3 . 30063 2 105 . 2 2 12 12 TRP HH2 H 1 6.961 0.02 . 1 . . . B 85 TRP HH2 . 30063 2 106 . 2 2 12 12 TRP C C 13 178.377 0.30 . 1 . . . B 85 TRP C . 30063 2 107 . 2 2 12 12 TRP CA C 13 61.015 0.30 . 1 . . . B 85 TRP CA . 30063 2 108 . 2 2 12 12 TRP CB C 13 29.923 0.30 . 1 . . . B 85 TRP CB . 30063 2 109 . 2 2 12 12 TRP CD1 C 13 128.720 0.30 . 1 . . . B 85 TRP CD1 . 30063 2 110 . 2 2 12 12 TRP CE3 C 13 120.654 0.30 . 1 . . . B 85 TRP CE3 . 30063 2 111 . 2 2 12 12 TRP CZ2 C 13 113.995 0.30 . 1 . . . B 85 TRP CZ2 . 30063 2 112 . 2 2 12 12 TRP CZ3 C 13 123.421 0.30 . 1 . . . B 85 TRP CZ3 . 30063 2 113 . 2 2 12 12 TRP CH2 C 13 123.892 0.30 . 1 . . . B 85 TRP CH2 . 30063 2 114 . 2 2 12 12 TRP N N 15 118.362 0.30 . 1 . . . B 85 TRP N . 30063 2 115 . 2 2 12 12 TRP NE1 N 15 129.222 0.30 . 1 . . . B 85 TRP NE1 . 30063 2 116 . 2 2 13 13 LYS H H 1 7.941 0.02 . 1 . . . B 86 LYS H . 30063 2 117 . 2 2 13 13 LYS HA H 1 3.939 0.02 . 1 . . . B 86 LYS HA . 30063 2 118 . 2 2 13 13 LYS HB2 H 1 1.886 0.02 . 2 . . . B 86 LYS HB2 . 30063 2 119 . 2 2 13 13 LYS HG2 H 1 1.663 0.02 . 2 . . . B 86 LYS HG2 . 30063 2 120 . 2 2 13 13 LYS HD2 H 1 1.653 0.02 . 2 . . . B 86 LYS HD2 . 30063 2 121 . 2 2 13 13 LYS HE2 H 1 2.924 0.02 . 2 . . . B 86 LYS HE2 . 30063 2 122 . 2 2 13 13 LYS C C 13 179.210 0.30 . 1 . . . B 86 LYS C . 30063 2 123 . 2 2 13 13 LYS CA C 13 60.274 0.30 . 1 . . . B 86 LYS CA . 30063 2 124 . 2 2 13 13 LYS CB C 13 32.398 0.30 . 1 . . . B 86 LYS CB . 30063 2 125 . 2 2 13 13 LYS CG C 13 25.576 0.30 . 1 . . . B 86 LYS CG . 30063 2 126 . 2 2 13 13 LYS CD C 13 29.402 0.30 . 1 . . . B 86 LYS CD . 30063 2 127 . 2 2 13 13 LYS CE C 13 42.245 0.30 . 1 . . . B 86 LYS CE . 30063 2 128 . 2 2 13 13 LYS N N 15 116.946 0.30 . 1 . . . B 86 LYS N . 30063 2 129 . 2 2 14 14 HIS H H 1 8.603 0.02 . 1 . . . B 87 HIS H . 30063 2 130 . 2 2 14 14 HIS HA H 1 4.395 0.02 . 1 . . . B 87 HIS HA . 30063 2 131 . 2 2 14 14 HIS HB2 H 1 3.360 0.02 . 2 . . . B 87 HIS HB2 . 30063 2 132 . 2 2 14 14 HIS HD2 H 1 7.190 0.02 . 1 . . . B 87 HIS HD2 . 30063 2 133 . 2 2 14 14 HIS HE1 H 1 8.256 0.02 . 1 . . . B 87 HIS HE1 . 30063 2 134 . 2 2 14 14 HIS C C 13 177.213 0.30 . 1 . . . B 87 HIS C . 30063 2 135 . 2 2 14 14 HIS CA C 13 59.127 0.30 . 1 . . . B 87 HIS CA . 30063 2 136 . 2 2 14 14 HIS CB C 13 29.280 0.30 . 1 . . . B 87 HIS CB . 30063 2 137 . 2 2 14 14 HIS CD2 C 13 120.493 0.30 . 1 . . . B 87 HIS CD2 . 30063 2 138 . 2 2 14 14 HIS CE1 C 13 136.933 0.30 . 1 . . . B 87 HIS CE1 . 30063 2 139 . 2 2 14 14 HIS N N 15 118.054 0.30 . 1 . . . B 87 HIS N . 30063 2 140 . 2 2 15 15 ALA H H 1 7.948 0.02 . 1 . . . B 88 ALA H . 30063 2 141 . 2 2 15 15 ALA HA H 1 4.079 0.02 . 1 . . . B 88 ALA HA . 30063 2 142 . 2 2 15 15 ALA HB1 H 1 1.646 0.02 . 1 . . . B 88 ALA HB1 . 30063 2 143 . 2 2 15 15 ALA HB2 H 1 1.646 0.02 . 1 . . . B 88 ALA HB2 . 30063 2 144 . 2 2 15 15 ALA HB3 H 1 1.646 0.02 . 1 . . . B 88 ALA HB3 . 30063 2 145 . 2 2 15 15 ALA C C 13 179.046 0.30 . 1 . . . B 88 ALA C . 30063 2 146 . 2 2 15 15 ALA CA C 13 55.332 0.30 . 1 . . . B 88 ALA CA . 30063 2 147 . 2 2 15 15 ALA CB C 13 18.843 0.30 . 1 . . . B 88 ALA CB . 30063 2 148 . 2 2 15 15 ALA N N 15 121.520 0.30 . 1 . . . B 88 ALA N . 30063 2 149 . 2 2 16 16 ILE H H 1 8.473 0.02 . 1 . . . B 89 ILE H . 30063 2 150 . 2 2 16 16 ILE HA H 1 3.712 0.02 . 1 . . . B 89 ILE HA . 30063 2 151 . 2 2 16 16 ILE HB H 1 2.020 0.02 . 1 . . . B 89 ILE HB . 30063 2 152 . 2 2 16 16 ILE HG12 H 1 2.251 0.02 . 2 . . . B 89 ILE HG12 . 30063 2 153 . 2 2 16 16 ILE HG21 H 1 0.969 0.02 . 1 . . . B 89 ILE HG21 . 30063 2 154 . 2 2 16 16 ILE HG22 H 1 0.969 0.02 . 1 . . . B 89 ILE HG22 . 30063 2 155 . 2 2 16 16 ILE HG23 H 1 0.969 0.02 . 1 . . . B 89 ILE HG23 . 30063 2 156 . 2 2 16 16 ILE HD11 H 1 0.703 0.02 . 1 . . . B 89 ILE HD11 . 30063 2 157 . 2 2 16 16 ILE HD12 H 1 0.703 0.02 . 1 . . . B 89 ILE HD12 . 30063 2 158 . 2 2 16 16 ILE HD13 H 1 0.703 0.02 . 1 . . . B 89 ILE HD13 . 30063 2 159 . 2 2 16 16 ILE C C 13 177.810 0.30 . 1 . . . B 89 ILE C . 30063 2 160 . 2 2 16 16 ILE CA C 13 66.020 0.30 . 1 . . . B 89 ILE CA . 30063 2 161 . 2 2 16 16 ILE CB C 13 38.429 0.30 . 1 . . . B 89 ILE CB . 30063 2 162 . 2 2 16 16 ILE CG1 C 13 30.338 0.30 . 1 . . . B 89 ILE CG1 . 30063 2 163 . 2 2 16 16 ILE CG2 C 13 17.611 0.30 . 1 . . . B 89 ILE CG2 . 30063 2 164 . 2 2 16 16 ILE CD1 C 13 14.385 0.30 . 1 . . . B 89 ILE CD1 . 30063 2 165 . 2 2 16 16 ILE N N 15 117.788 0.30 . 1 . . . B 89 ILE N . 30063 2 166 . 2 2 17 17 GLN H H 1 7.917 0.02 . 1 . . . B 90 GLN H . 30063 2 167 . 2 2 17 17 GLN HA H 1 3.968 0.02 . 1 . . . B 90 GLN HA . 30063 2 168 . 2 2 17 17 GLN HB2 H 1 2.227 0.02 . 2 . . . B 90 GLN HB2 . 30063 2 169 . 2 2 17 17 GLN HG2 H 1 2.530 0.02 . 2 . . . B 90 GLN HG2 . 30063 2 170 . 2 2 17 17 GLN HE21 H 1 7.483 0.02 . 1 . . . B 90 GLN HE21 . 30063 2 171 . 2 2 17 17 GLN HE22 H 1 6.881 0.02 . 1 . . . B 90 GLN HE22 . 30063 2 172 . 2 2 17 17 GLN C C 13 178.566 0.30 . 1 . . . B 90 GLN C . 30063 2 173 . 2 2 17 17 GLN CA C 13 58.881 0.30 . 1 . . . B 90 GLN CA . 30063 2 174 . 2 2 17 17 GLN CB C 13 28.486 0.30 . 1 . . . B 90 GLN CB . 30063 2 175 . 2 2 17 17 GLN CG C 13 33.996 0.30 . 1 . . . B 90 GLN CG . 30063 2 176 . 2 2 17 17 GLN N N 15 117.373 0.30 . 1 . . . B 90 GLN N . 30063 2 177 . 2 2 17 17 GLN NE2 N 15 111.482 0.30 . 1 . . . B 90 GLN NE2 . 30063 2 178 . 2 2 18 18 LYS H H 1 7.799 0.02 . 1 . . . B 91 LYS H . 30063 2 179 . 2 2 18 18 LYS HA H 1 4.056 0.02 . 1 . . . B 91 LYS HA . 30063 2 180 . 2 2 18 18 LYS HB2 H 1 1.852 0.02 . 2 . . . B 91 LYS HB2 . 30063 2 181 . 2 2 18 18 LYS HG2 H 1 1.568 0.02 . 2 . . . B 91 LYS HG2 . 30063 2 182 . 2 2 18 18 LYS HD2 H 1 1.651 0.02 . 2 . . . B 91 LYS HD2 . 30063 2 183 . 2 2 18 18 LYS HE2 H 1 2.957 0.02 . 2 . . . B 91 LYS HE2 . 30063 2 184 . 2 2 18 18 LYS C C 13 178.557 0.30 . 1 . . . B 91 LYS C . 30063 2 185 . 2 2 18 18 LYS CA C 13 58.587 0.30 . 1 . . . B 91 LYS CA . 30063 2 186 . 2 2 18 18 LYS CB C 13 33.049 0.30 . 1 . . . B 91 LYS CB . 30063 2 187 . 2 2 18 18 LYS CG C 13 25.506 0.30 . 1 . . . B 91 LYS CG . 30063 2 188 . 2 2 18 18 LYS CD C 13 29.584 0.30 . 1 . . . B 91 LYS CD . 30063 2 189 . 2 2 18 18 LYS CE C 13 42.304 0.30 . 1 . . . B 91 LYS CE . 30063 2 190 . 2 2 18 18 LYS N N 15 118.066 0.30 . 1 . . . B 91 LYS N . 30063 2 191 . 2 2 19 19 ALA H H 1 8.250 0.02 . 1 . . . B 92 ALA H . 30063 2 192 . 2 2 19 19 ALA HA H 1 4.057 0.02 . 1 . . . B 92 ALA HA . 30063 2 193 . 2 2 19 19 ALA HB1 H 1 1.479 0.02 . 1 . . . B 92 ALA HB1 . 30063 2 194 . 2 2 19 19 ALA HB2 H 1 1.479 0.02 . 1 . . . B 92 ALA HB2 . 30063 2 195 . 2 2 19 19 ALA HB3 H 1 1.479 0.02 . 1 . . . B 92 ALA HB3 . 30063 2 196 . 2 2 19 19 ALA C C 13 178.732 0.30 . 1 . . . B 92 ALA C . 30063 2 197 . 2 2 19 19 ALA CA C 13 53.924 0.30 . 1 . . . B 92 ALA CA . 30063 2 198 . 2 2 19 19 ALA CB C 13 19.007 0.30 . 1 . . . B 92 ALA CB . 30063 2 199 . 2 2 19 19 ALA N N 15 121.056 0.30 . 1 . . . B 92 ALA N . 30063 2 200 . 2 2 20 20 LYS H H 1 7.696 0.02 . 1 . . . B 93 LYS H . 30063 2 201 . 2 2 20 20 LYS HA H 1 4.102 0.02 . 1 . . . B 93 LYS HA . 30063 2 202 . 2 2 20 20 LYS HB2 H 1 1.736 0.02 . 2 . . . B 93 LYS HB2 . 30063 2 203 . 2 2 20 20 LYS HG2 H 1 1.504 0.02 . 2 . . . B 93 LYS HG2 . 30063 2 204 . 2 2 20 20 LYS HD2 H 1 1.652 0.02 . 2 . . . B 93 LYS HD2 . 30063 2 205 . 2 2 20 20 LYS HE2 H 1 2.891 0.02 . 2 . . . B 93 LYS HE2 . 30063 2 206 . 2 2 20 20 LYS C C 13 176.657 0.30 . 1 . . . B 93 LYS C . 30063 2 207 . 2 2 20 20 LYS CA C 13 57.531 0.30 . 1 . . . B 93 LYS CA . 30063 2 208 . 2 2 20 20 LYS CB C 13 32.833 0.30 . 1 . . . B 93 LYS CB . 30063 2 209 . 2 2 20 20 LYS CG C 13 24.924 0.30 . 1 . . . B 93 LYS CG . 30063 2 210 . 2 2 20 20 LYS CD C 13 29.402 0.30 . 1 . . . B 93 LYS CD . 30063 2 211 . 2 2 20 20 LYS CE C 13 42.252 0.30 . 1 . . . B 93 LYS CE . 30063 2 212 . 2 2 20 20 LYS N N 15 115.786 0.30 . 1 . . . B 93 LYS N . 30063 2 213 . 2 2 21 21 HIS H H 1 7.751 0.02 . 1 . . . B 94 HIS H . 30063 2 214 . 2 2 21 21 HIS HA H 1 4.640 0.02 . 1 . . . B 94 HIS HA . 30063 2 215 . 2 2 21 21 HIS HB2 H 1 3.309 0.02 . 2 . . . B 94 HIS HB2 . 30063 2 216 . 2 2 21 21 HIS HD2 H 1 6.567 0.02 . 1 . . . B 94 HIS HD2 . 30063 2 217 . 2 2 21 21 HIS C C 13 174.443 0.30 . 1 . . . B 94 HIS C . 30063 2 218 . 2 2 21 21 HIS CA C 13 55.531 0.30 . 1 . . . B 94 HIS CA . 30063 2 219 . 2 2 21 21 HIS CB C 13 29.573 0.30 . 1 . . . B 94 HIS CB . 30063 2 220 . 2 2 21 21 HIS CD2 C 13 119.873 0.30 . 1 . . . B 94 HIS CD2 . 30063 2 221 . 2 2 21 21 HIS N N 15 117.139 0.30 . 1 . . . B 94 HIS N . 30063 2 222 . 2 2 22 22 MET H H 1 7.822 0.02 . 1 . . . B 95 MET H . 30063 2 223 . 2 2 22 22 MET HA H 1 4.671 0.02 . 1 . . . B 95 MET HA . 30063 2 224 . 2 2 22 22 MET HB2 H 1 2.030 0.02 . 2 . . . B 95 MET HB2 . 30063 2 225 . 2 2 22 22 MET HG2 H 1 2.607 0.02 . 2 . . . B 95 MET HG2 . 30063 2 226 . 2 2 22 22 MET HE1 H 1 2.036 0.02 . 1 . . . B 95 MET HE1 . 30063 2 227 . 2 2 22 22 MET HE2 H 1 2.036 0.02 . 1 . . . B 95 MET HE2 . 30063 2 228 . 2 2 22 22 MET HE3 H 1 2.036 0.02 . 1 . . . B 95 MET HE3 . 30063 2 229 . 2 2 22 22 MET CA C 13 59.214 0.30 . 1 . . . B 95 MET CA . 30063 2 230 . 2 2 22 22 MET CB C 13 32.264 0.30 . 1 . . . B 95 MET CB . 30063 2 231 . 2 2 22 22 MET CG C 13 32.275 0.30 . 1 . . . B 95 MET CG . 30063 2 232 . 2 2 22 22 MET CE C 13 17.466 0.30 . 1 . . . B 95 MET CE . 30063 2 233 . 2 2 22 22 MET N N 15 121.094 0.30 . 1 . . . B 95 MET N . 30063 2 234 . 2 2 23 23 PRO HA H 1 4.465 0.02 . 1 . . . B 96 PRO HA . 30063 2 235 . 2 2 23 23 PRO HB2 H 1 2.325 0.02 . 2 . . . B 96 PRO HB2 . 30063 2 236 . 2 2 23 23 PRO HG2 H 1 2.031 0.02 . 2 . . . B 96 PRO HG2 . 30063 2 237 . 2 2 23 23 PRO HD2 H 1 3.654 0.02 . 2 . . . B 96 PRO HD2 . 30063 2 238 . 2 2 23 23 PRO C C 13 175.904 0.30 . 1 . . . B 96 PRO C . 30063 2 239 . 2 2 23 23 PRO CA C 13 63.355 0.30 . 1 . . . B 96 PRO CA . 30063 2 240 . 2 2 23 23 PRO CB C 13 32.269 0.30 . 1 . . . B 96 PRO CB . 30063 2 241 . 2 2 23 23 PRO CG C 13 27.714 0.30 . 1 . . . B 96 PRO CG . 30063 2 242 . 2 2 23 23 PRO CD C 13 50.714 0.30 . 1 . . . B 96 PRO CD . 30063 2 243 . 2 2 24 24 ASP H H 1 8.085 0.02 . 1 . . . B 97 ASP H . 30063 2 244 . 2 2 24 24 ASP HA H 1 4.326 0.02 . 1 . . . B 97 ASP HA . 30063 2 245 . 2 2 24 24 ASP HB2 H 1 2.482 0.02 . 2 . . . B 97 ASP HB2 . 30063 2 246 . 2 2 24 24 ASP CA C 13 52.563 0.30 . 1 . . . B 97 ASP CA . 30063 2 247 . 2 2 24 24 ASP CB C 13 41.192 0.30 . 1 . . . B 97 ASP CB . 30063 2 248 . 2 2 24 24 ASP N N 15 120.137 0.30 . 1 . . . B 97 ASP N . 30063 2 249 . 2 2 25 25 PRO HA H 1 4.226 0.02 . 1 . . . B 98 PRO HA . 30063 2 250 . 2 2 25 25 PRO HB2 H 1 1.955 0.02 . 2 . . . B 98 PRO HB2 . 30063 2 251 . 2 2 25 25 PRO HG2 H 1 1.724 0.02 . 2 . . . B 98 PRO HG2 . 30063 2 252 . 2 2 25 25 PRO HD2 H 1 3.682 0.02 . 2 . . . B 98 PRO HD2 . 30063 2 253 . 2 2 25 25 PRO C C 13 176.156 0.30 . 1 . . . B 98 PRO C . 30063 2 254 . 2 2 25 25 PRO CA C 13 63.836 0.30 . 1 . . . B 98 PRO CA . 30063 2 255 . 2 2 25 25 PRO CB C 13 31.745 0.30 . 1 . . . B 98 PRO CB . 30063 2 256 . 2 2 25 25 PRO CG C 13 26.897 0.30 . 1 . . . B 98 PRO CG . 30063 2 257 . 2 2 25 25 PRO CD C 13 50.420 0.30 . 1 . . . B 98 PRO CD . 30063 2 258 . 2 2 26 26 TRP H H 1 7.823 0.02 . 1 . . . B 99 TRP H . 30063 2 259 . 2 2 26 26 TRP HA H 1 4.676 0.02 . 1 . . . B 99 TRP HA . 30063 2 260 . 2 2 26 26 TRP HB2 H 1 3.360 0.02 . 2 . . . B 99 TRP HB2 . 30063 2 261 . 2 2 26 26 TRP HD1 H 1 7.222 0.02 . 1 . . . B 99 TRP HD1 . 30063 2 262 . 2 2 26 26 TRP HE1 H 1 10.025 0.02 . 1 . . . B 99 TRP HE1 . 30063 2 263 . 2 2 26 26 TRP HZ2 H 1 7.188 0.02 . 1 . . . B 99 TRP HZ2 . 30063 2 264 . 2 2 26 26 TRP HZ3 H 1 6.952 0.02 . 1 . . . B 99 TRP HZ3 . 30063 2 265 . 2 2 26 26 TRP C C 13 174.966 0.30 . 1 . . . B 99 TRP C . 30063 2 266 . 2 2 26 26 TRP CA C 13 56.660 0.30 . 1 . . . B 99 TRP CA . 30063 2 267 . 2 2 26 26 TRP CB C 13 29.548 0.30 . 1 . . . B 99 TRP CB . 30063 2 268 . 2 2 26 26 TRP CD1 C 13 126.630 0.30 . 1 . . . B 99 TRP CD1 . 30063 2 269 . 2 2 26 26 TRP CZ2 C 13 113.230 0.30 . 1 . . . B 99 TRP CZ2 . 30063 2 270 . 2 2 26 26 TRP CZ3 C 13 123.479 0.30 . 1 . . . B 99 TRP CZ3 . 30063 2 271 . 2 2 26 26 TRP N N 15 118.586 0.30 . 1 . . . B 99 TRP N . 30063 2 272 . 2 2 26 26 TRP NE1 N 15 129.136 0.30 . 1 . . . B 99 TRP NE1 . 30063 2 273 . 2 2 27 27 ALA H H 1 7.291 0.02 . 1 . . . B 100 ALA H . 30063 2 274 . 2 2 27 27 ALA HA H 1 4.057 0.02 . 1 . . . B 100 ALA HA . 30063 2 275 . 2 2 27 27 ALA HB1 H 1 1.298 0.02 . 1 . . . B 100 ALA HB1 . 30063 2 276 . 2 2 27 27 ALA HB2 H 1 1.298 0.02 . 1 . . . B 100 ALA HB2 . 30063 2 277 . 2 2 27 27 ALA HB3 H 1 1.298 0.02 . 1 . . . B 100 ALA HB3 . 30063 2 278 . 2 2 27 27 ALA CA C 13 53.924 0.30 . 1 . . . B 100 ALA CA . 30063 2 279 . 2 2 27 27 ALA CB C 13 20.279 0.30 . 1 . . . B 100 ALA CB . 30063 2 280 . 2 2 27 27 ALA N N 15 129.264 0.30 . 1 . . . B 100 ALA N . 30063 2 stop_ save_