data_15855 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15855 _Entry.Title ; NMR assignment of human Growth Arrest and DNA Damage alpha protein (Gadd45a) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-07-03 _Entry.Accession_date 2008-07-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _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.Entry_ID 1 Ricardo Sanchez . . . 15855 2 David Pantoja-Uceda . . . 15855 3 Daniel Torres . . . 15855 4 Jesus Prieto . . . 15855 5 Ramon Campos-Olivas . . . 15855 6 'Francisco J.' Blanco . . . 15855 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Instituto de Quimica-Fisica Rocasolano' . 15855 . . 'Centro Nacional de Investigaciones Oncologicas' . 15855 1 . 'CIC Biogune' . 15855 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15855 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 627 15855 '15N chemical shifts' 153 15855 '1H chemical shifts' 990 15855 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 4 . . 2010-04-16 2008-07-03 update BMRB 'add related PDB ID' 15855 3 . . 2009-08-18 2008-07-03 update BMRB 'added PubMed ID' 15855 2 . . 2008-12-02 2008-07-03 update BMRB 'complete update citation' 15855 1 . . 2008-07-07 2008-07-03 original author 'original release' 15855 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KG4 'BMRB Entry Tracking System' 15855 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 15855 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636889 _Citation.Full_citation . _Citation.Title 'NMR assignment and secondary structure of human growth arrest and DNA damage alpha protein (Gadd45 alpha)' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 139 _Citation.Page_last 142 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ricardo Sanchez . . . 15855 1 2 David Pantoja-Uceda . . . 15855 1 3 Daniel Torres . . . 15855 1 4 Jesus Prieto . . . 15855 1 5 Ramon Campos-Olivas . . . 15855 1 6 Francisco Blanco . J. . 15855 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA damage' 15855 1 Gadd45 15855 1 'growth arrest' 15855 1 'NMR assignment' 15855 1 'selective labeling' 15855 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15855 _Assembly.ID 1 _Assembly.Name Gadd45a _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18627 _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 Gadd45a 1 $Gadd45a A . yes native no no . . . 15855 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Gadd45a _Entity.Sf_category entity _Entity.Sf_framecode Gadd45a _Entity.Entry_ID 15855 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Gadd45a _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPHMTLEEFSAGEQKTERMD KVGDALEEVLSKALSQRTIT VGVYEAAKLLNVDPDNVVLC LLAADEDDDRDVALQIHFTL IQAFCCENDINILRVSNPGR LAELLLLETDAGPAASEGAE QPPDLHCVLVTNPHSSQWKD PALSQLICFCRESRYMDQWV PVINLPER ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues from -2 to 0 (GPH) represent a non-native tag in N-terminus' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 168 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18627 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KG4 . "Three-Dimensional Structure Of Human Gadd45alpha In Solution By Nmr" . . . . . 98.21 165 100.00 100.00 1.23e-115 . . . . 15855 1 2 no DBJ BAD60923 . "growth arrest and DNA damage-inducible protein 45 [Felis catus]" . . . . . 98.21 165 99.39 99.39 6.98e-115 . . . . 15855 1 3 no DBJ BAG37487 . "unnamed protein product [Homo sapiens]" . . . . . 98.21 165 100.00 100.00 1.23e-115 . . . . 15855 1 4 no DBJ BAG73211 . "growth arrest and DNA-damage-inducible, alpha [synthetic construct]" . . . . . 98.21 165 100.00 100.00 1.23e-115 . . . . 15855 1 5 no EMBL CAL38317 . "hypothetical protein [synthetic construct]" . . . . . 98.21 165 100.00 100.00 1.23e-115 . . . . 15855 1 6 no GB AAA35863 . "growth arrest and DNA-damage-inducible protein [Homo sapiens]" . . . . . 98.21 165 100.00 100.00 1.23e-115 . . . . 15855 1 7 no GB AAA72045 . "gadd45 [Homo sapiens]" . . . . . 98.21 165 100.00 100.00 1.23e-115 . . . . 15855 1 8 no GB AAH11757 . "Growth arrest and DNA-damage-inducible, alpha [Homo sapiens]" . . . . . 98.21 165 100.00 100.00 1.23e-115 . . . . 15855 1 9 no GB AAI03199 . "Growth arrest and DNA-damage-inducible, alpha [Bos taurus]" . . . . . 98.21 165 99.39 100.00 7.37e-115 . . . . 15855 1 10 no GB AAM88884 . "growth arrest and DNA-damage-inducible, alpha [Homo sapiens]" . . . . . 98.21 165 100.00 100.00 1.23e-115 . . . . 15855 1 11 no REF NP_001029419 . "growth arrest and DNA damage-inducible protein GADD45 alpha [Bos taurus]" . . . . . 98.21 165 99.39 100.00 7.37e-115 . . . . 15855 1 12 no REF NP_001038064 . "growth arrest and DNA damage-inducible protein GADD45 alpha [Sus scrofa]" . . . . . 98.21 165 97.58 98.18 1.20e-112 . . . . 15855 1 13 no REF NP_001248234 . "growth arrest and DNA damage-inducible protein GADD45 alpha [Macaca mulatta]" . . . . . 98.21 165 99.39 100.00 3.36e-115 . . . . 15855 1 14 no REF NP_001915 . "growth arrest and DNA damage-inducible protein GADD45 alpha isoform 1 [Homo sapiens]" . . . . . 98.21 165 100.00 100.00 1.23e-115 . . . . 15855 1 15 no REF XP_002715979 . "PREDICTED: growth arrest and DNA damage-inducible protein GADD45 alpha [Oryctolagus cuniculus]" . . . . . 98.21 165 98.18 98.79 1.21e-113 . . . . 15855 1 16 no SP P24522 . "RecName: Full=Growth arrest and DNA damage-inducible protein GADD45 alpha; AltName: Full=DNA damage-inducible transcript 1 prot" . . . . . 98.21 165 100.00 100.00 1.23e-115 . . . . 15855 1 17 no SP Q3ZBN6 . "RecName: Full=Growth arrest and DNA damage-inducible protein GADD45 alpha" . . . . . 98.21 165 99.39 100.00 7.37e-115 . . . . 15855 1 18 no SP Q60GI5 . "RecName: Full=Growth arrest and DNA damage-inducible protein GADD45 alpha" . . . . . 98.21 165 99.39 99.39 6.98e-115 . . . . 15855 1 19 no TPG DAA31278 . "TPA: growth arrest and DNA-damage-inducible protein GADD45 alpha [Bos taurus]" . . . . . 98.21 165 99.39 100.00 7.37e-115 . . . . 15855 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA damage' 15855 1 'growth arrest' 15855 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -2 GLY . 15855 1 2 -1 PRO . 15855 1 3 0 HIS . 15855 1 4 1 MET . 15855 1 5 2 THR . 15855 1 6 3 LEU . 15855 1 7 4 GLU . 15855 1 8 5 GLU . 15855 1 9 6 PHE . 15855 1 10 7 SER . 15855 1 11 8 ALA . 15855 1 12 9 GLY . 15855 1 13 10 GLU . 15855 1 14 11 GLN . 15855 1 15 12 LYS . 15855 1 16 13 THR . 15855 1 17 14 GLU . 15855 1 18 15 ARG . 15855 1 19 16 MET . 15855 1 20 17 ASP . 15855 1 21 18 LYS . 15855 1 22 19 VAL . 15855 1 23 20 GLY . 15855 1 24 21 ASP . 15855 1 25 22 ALA . 15855 1 26 23 LEU . 15855 1 27 24 GLU . 15855 1 28 25 GLU . 15855 1 29 26 VAL . 15855 1 30 27 LEU . 15855 1 31 28 SER . 15855 1 32 29 LYS . 15855 1 33 30 ALA . 15855 1 34 31 LEU . 15855 1 35 32 SER . 15855 1 36 33 GLN . 15855 1 37 34 ARG . 15855 1 38 35 THR . 15855 1 39 36 ILE . 15855 1 40 37 THR . 15855 1 41 38 VAL . 15855 1 42 39 GLY . 15855 1 43 40 VAL . 15855 1 44 41 TYR . 15855 1 45 42 GLU . 15855 1 46 43 ALA . 15855 1 47 44 ALA . 15855 1 48 45 LYS . 15855 1 49 46 LEU . 15855 1 50 47 LEU . 15855 1 51 48 ASN . 15855 1 52 49 VAL . 15855 1 53 50 ASP . 15855 1 54 51 PRO . 15855 1 55 52 ASP . 15855 1 56 53 ASN . 15855 1 57 54 VAL . 15855 1 58 55 VAL . 15855 1 59 56 LEU . 15855 1 60 57 CYS . 15855 1 61 58 LEU . 15855 1 62 59 LEU . 15855 1 63 60 ALA . 15855 1 64 61 ALA . 15855 1 65 62 ASP . 15855 1 66 63 GLU . 15855 1 67 64 ASP . 15855 1 68 65 ASP . 15855 1 69 66 ASP . 15855 1 70 67 ARG . 15855 1 71 68 ASP . 15855 1 72 69 VAL . 15855 1 73 70 ALA . 15855 1 74 71 LEU . 15855 1 75 72 GLN . 15855 1 76 73 ILE . 15855 1 77 74 HIS . 15855 1 78 75 PHE . 15855 1 79 76 THR . 15855 1 80 77 LEU . 15855 1 81 78 ILE . 15855 1 82 79 GLN . 15855 1 83 80 ALA . 15855 1 84 81 PHE . 15855 1 85 82 CYS . 15855 1 86 83 CYS . 15855 1 87 84 GLU . 15855 1 88 85 ASN . 15855 1 89 86 ASP . 15855 1 90 87 ILE . 15855 1 91 88 ASN . 15855 1 92 89 ILE . 15855 1 93 90 LEU . 15855 1 94 91 ARG . 15855 1 95 92 VAL . 15855 1 96 93 SER . 15855 1 97 94 ASN . 15855 1 98 95 PRO . 15855 1 99 96 GLY . 15855 1 100 97 ARG . 15855 1 101 98 LEU . 15855 1 102 99 ALA . 15855 1 103 100 GLU . 15855 1 104 101 LEU . 15855 1 105 102 LEU . 15855 1 106 103 LEU . 15855 1 107 104 LEU . 15855 1 108 105 GLU . 15855 1 109 106 THR . 15855 1 110 107 ASP . 15855 1 111 108 ALA . 15855 1 112 109 GLY . 15855 1 113 110 PRO . 15855 1 114 111 ALA . 15855 1 115 112 ALA . 15855 1 116 113 SER . 15855 1 117 114 GLU . 15855 1 118 115 GLY . 15855 1 119 116 ALA . 15855 1 120 117 GLU . 15855 1 121 118 GLN . 15855 1 122 119 PRO . 15855 1 123 120 PRO . 15855 1 124 121 ASP . 15855 1 125 122 LEU . 15855 1 126 123 HIS . 15855 1 127 124 CYS . 15855 1 128 125 VAL . 15855 1 129 126 LEU . 15855 1 130 127 VAL . 15855 1 131 128 THR . 15855 1 132 129 ASN . 15855 1 133 130 PRO . 15855 1 134 131 HIS . 15855 1 135 132 SER . 15855 1 136 133 SER . 15855 1 137 134 GLN . 15855 1 138 135 TRP . 15855 1 139 136 LYS . 15855 1 140 137 ASP . 15855 1 141 138 PRO . 15855 1 142 139 ALA . 15855 1 143 140 LEU . 15855 1 144 141 SER . 15855 1 145 142 GLN . 15855 1 146 143 LEU . 15855 1 147 144 ILE . 15855 1 148 145 CYS . 15855 1 149 146 PHE . 15855 1 150 147 CYS . 15855 1 151 148 ARG . 15855 1 152 149 GLU . 15855 1 153 150 SER . 15855 1 154 151 ARG . 15855 1 155 152 TYR . 15855 1 156 153 MET . 15855 1 157 154 ASP . 15855 1 158 155 GLN . 15855 1 159 156 TRP . 15855 1 160 157 VAL . 15855 1 161 158 PRO . 15855 1 162 159 VAL . 15855 1 163 160 ILE . 15855 1 164 161 ASN . 15855 1 165 162 LEU . 15855 1 166 163 PRO . 15855 1 167 164 GLU . 15855 1 168 165 ARG . 15855 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15855 1 . PRO 2 2 15855 1 . HIS 3 3 15855 1 . MET 4 4 15855 1 . THR 5 5 15855 1 . LEU 6 6 15855 1 . GLU 7 7 15855 1 . GLU 8 8 15855 1 . PHE 9 9 15855 1 . SER 10 10 15855 1 . ALA 11 11 15855 1 . GLY 12 12 15855 1 . GLU 13 13 15855 1 . GLN 14 14 15855 1 . LYS 15 15 15855 1 . THR 16 16 15855 1 . GLU 17 17 15855 1 . ARG 18 18 15855 1 . MET 19 19 15855 1 . ASP 20 20 15855 1 . LYS 21 21 15855 1 . VAL 22 22 15855 1 . GLY 23 23 15855 1 . ASP 24 24 15855 1 . ALA 25 25 15855 1 . LEU 26 26 15855 1 . GLU 27 27 15855 1 . GLU 28 28 15855 1 . VAL 29 29 15855 1 . LEU 30 30 15855 1 . SER 31 31 15855 1 . LYS 32 32 15855 1 . ALA 33 33 15855 1 . LEU 34 34 15855 1 . SER 35 35 15855 1 . GLN 36 36 15855 1 . ARG 37 37 15855 1 . THR 38 38 15855 1 . ILE 39 39 15855 1 . THR 40 40 15855 1 . VAL 41 41 15855 1 . GLY 42 42 15855 1 . VAL 43 43 15855 1 . TYR 44 44 15855 1 . GLU 45 45 15855 1 . ALA 46 46 15855 1 . ALA 47 47 15855 1 . LYS 48 48 15855 1 . LEU 49 49 15855 1 . LEU 50 50 15855 1 . ASN 51 51 15855 1 . VAL 52 52 15855 1 . ASP 53 53 15855 1 . PRO 54 54 15855 1 . ASP 55 55 15855 1 . ASN 56 56 15855 1 . VAL 57 57 15855 1 . VAL 58 58 15855 1 . LEU 59 59 15855 1 . CYS 60 60 15855 1 . LEU 61 61 15855 1 . LEU 62 62 15855 1 . ALA 63 63 15855 1 . ALA 64 64 15855 1 . ASP 65 65 15855 1 . GLU 66 66 15855 1 . ASP 67 67 15855 1 . ASP 68 68 15855 1 . ASP 69 69 15855 1 . ARG 70 70 15855 1 . ASP 71 71 15855 1 . VAL 72 72 15855 1 . ALA 73 73 15855 1 . LEU 74 74 15855 1 . GLN 75 75 15855 1 . ILE 76 76 15855 1 . HIS 77 77 15855 1 . PHE 78 78 15855 1 . THR 79 79 15855 1 . LEU 80 80 15855 1 . ILE 81 81 15855 1 . GLN 82 82 15855 1 . ALA 83 83 15855 1 . PHE 84 84 15855 1 . CYS 85 85 15855 1 . CYS 86 86 15855 1 . GLU 87 87 15855 1 . ASN 88 88 15855 1 . ASP 89 89 15855 1 . ILE 90 90 15855 1 . ASN 91 91 15855 1 . ILE 92 92 15855 1 . LEU 93 93 15855 1 . ARG 94 94 15855 1 . VAL 95 95 15855 1 . SER 96 96 15855 1 . ASN 97 97 15855 1 . PRO 98 98 15855 1 . GLY 99 99 15855 1 . ARG 100 100 15855 1 . LEU 101 101 15855 1 . ALA 102 102 15855 1 . GLU 103 103 15855 1 . LEU 104 104 15855 1 . LEU 105 105 15855 1 . LEU 106 106 15855 1 . LEU 107 107 15855 1 . GLU 108 108 15855 1 . THR 109 109 15855 1 . ASP 110 110 15855 1 . ALA 111 111 15855 1 . GLY 112 112 15855 1 . PRO 113 113 15855 1 . ALA 114 114 15855 1 . ALA 115 115 15855 1 . SER 116 116 15855 1 . GLU 117 117 15855 1 . GLY 118 118 15855 1 . ALA 119 119 15855 1 . GLU 120 120 15855 1 . GLN 121 121 15855 1 . PRO 122 122 15855 1 . PRO 123 123 15855 1 . ASP 124 124 15855 1 . LEU 125 125 15855 1 . HIS 126 126 15855 1 . CYS 127 127 15855 1 . VAL 128 128 15855 1 . LEU 129 129 15855 1 . VAL 130 130 15855 1 . THR 131 131 15855 1 . ASN 132 132 15855 1 . PRO 133 133 15855 1 . HIS 134 134 15855 1 . SER 135 135 15855 1 . SER 136 136 15855 1 . GLN 137 137 15855 1 . TRP 138 138 15855 1 . LYS 139 139 15855 1 . ASP 140 140 15855 1 . PRO 141 141 15855 1 . ALA 142 142 15855 1 . LEU 143 143 15855 1 . SER 144 144 15855 1 . GLN 145 145 15855 1 . LEU 146 146 15855 1 . ILE 147 147 15855 1 . CYS 148 148 15855 1 . PHE 149 149 15855 1 . CYS 150 150 15855 1 . ARG 151 151 15855 1 . GLU 152 152 15855 1 . SER 153 153 15855 1 . ARG 154 154 15855 1 . TYR 155 155 15855 1 . MET 156 156 15855 1 . ASP 157 157 15855 1 . GLN 158 158 15855 1 . TRP 159 159 15855 1 . VAL 160 160 15855 1 . PRO 161 161 15855 1 . VAL 162 162 15855 1 . ILE 163 163 15855 1 . ASN 164 164 15855 1 . LEU 165 165 15855 1 . PRO 166 166 15855 1 . GLU 167 167 15855 1 . ARG 168 168 15855 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15855 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Gadd45a . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . gadd45a . . . . 15855 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 15855 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Gadd45a . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta BL21' (DE3) . . . . . . . . . . . . . . 'modified pET28' . . . 'PreScission protease cleveage site between His Tag and native protein' . . 15855 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_HGa_CN _Sample.Sf_category sample _Sample.Sf_framecode HGa_CN _Sample.Entry_ID 15855 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 Gadd45a '[U-99% 13C; U-99% 15N]' . . 1 $Gadd45a . . 450 . . uM . . . . 15855 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15855 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15855 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 15855 1 5 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 15855 1 6 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 15855 1 stop_ save_ save_HGa_N _Sample.Sf_category sample _Sample.Sf_framecode HGa_N _Sample.Entry_ID 15855 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '93% H2O/7% 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 Gadd45a '[U-99% 15N]' . . 1 $Gadd45a . . 450 . . uM . . . . 15855 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15855 2 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15855 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 15855 2 5 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 15855 2 6 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 15855 2 stop_ save_ save_HGa_D2O _Sample.Sf_category sample _Sample.Sf_framecode HGa_D2O _Sample.Entry_ID 15855 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 3 _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 Gadd45a 'natural abundance' . . 1 $Gadd45a . . 195 . . uM . . . . 15855 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15855 3 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15855 3 4 DTT-d10 'natural abundance' . . . . . . 2 . . mM . . . . 15855 3 5 EDTA-d12 'natural abundance' . . . . . . 2 . . mM . . . . 15855 3 6 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 15855 3 stop_ save_ save_HGa_15NLeu _Sample.Sf_category sample _Sample.Sf_framecode HGa_15NLeu _Sample.Entry_ID 15855 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 4 _Sample.Solvent_system '93% H2O/7% 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 Gadd45a [U-15N]-Leu . . 1 $Gadd45a . . 450 . . uM . . . . 15855 4 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15855 4 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15855 4 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 15855 4 5 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 15855 4 6 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 15855 4 stop_ save_ save_HGa_15NVal _Sample.Sf_category sample _Sample.Sf_framecode HGa_15NVal _Sample.Entry_ID 15855 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 5 _Sample.Solvent_system '93% H2O/7% 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 Gadd45a [U-15N]-Val . . 1 $Gadd45a . . 450 . . uM . . . . 15855 5 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15855 5 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15855 5 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 15855 5 5 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 15855 5 6 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 15855 5 stop_ save_ save_HGa_15NIle _Sample.Sf_category sample _Sample.Sf_framecode HGa_15NIle _Sample.Entry_ID 15855 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 6 _Sample.Solvent_system '93% H2O/7% 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 Gadd45a [U-15N]-Ile . . 1 $Gadd45a . . 450 . . uM . . . . 15855 6 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15855 6 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15855 6 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 15855 6 5 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 15855 6 6 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 15855 6 stop_ save_ save_HGa_15NPhe_Tyr _Sample.Sf_category sample _Sample.Sf_framecode HGa_15NPhe_Tyr _Sample.Entry_ID 15855 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 7 _Sample.Solvent_system '93% H2O/7% 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 Gadd45a [U-15N]-Phe/Tyr . . 1 $Gadd45a . . 450 . . uM . . . . 15855 7 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15855 7 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15855 7 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 15855 7 5 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 15855 7 6 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 15855 7 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 15855 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.27 . M 15855 1 pH 7.4 . pH 15855 1 pressure 1 . atm 15855 1 temperature 298 . K 15855 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15855 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15855 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15855 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15855 _Software.ID 2 _Software.Name NMRPipe _Software.Version 1.02 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15855 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15855 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15855 _Software.ID 3 _Software.Name NMRDraw _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15855 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15855 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15855 _Software.ID 4 _Software.Name NMRView _Software.Version 5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15855 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15855 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15855 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TXI Cryprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15855 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'TXI Cryprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15855 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'TXI Cryprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 15855 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'TXI Cryprobe' . . 15855 1 2 spectrometer_2 Bruker 'Avance II' . 800 'TXI Cryprobe' . . 15855 1 3 spectrometer_3 Bruker 'Avance II' . 900 'TXI Cryprobe' . . 15855 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 15855 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $HGa_N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15855 1 2 '2D 1H-13C HMQC Aliphatic' no . . . . . . . . . . 1 $HGa_CN isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15855 1 3 '3D HNCO' no . . . . . . . . . . 1 $HGa_CN isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15855 1 4 '3D HNCA' no . . . . . . . . . . 1 $HGa_CN isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15855 1 5 '3D HNCACB' no . . . . . . . . . . 1 $HGa_CN isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15855 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $HGa_CN isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15855 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $HGa_CN isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15855 1 8 '3D HNHA' no . . . . . . . . . . 2 $HGa_N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15855 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $HGa_N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15855 1 10 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $HGa_D2O isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15855 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $HGa_15NLeu isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15855 1 12 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $HGa_15NVal isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15855 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $HGa_15NIle isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15855 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $HGa_15NPhe_Tyr isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15855 1 15 '4D 1H-15N 1H13C NOESY' no . . . . . . . . . . 1 $HGa_CN isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15855 1 16 '2D 1H-13C HMQC Aromatic' no . . . . . . . . . . 1 $HGa_CN isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15855 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15855 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.770 internal indirect 0.251449530 . . . . . . . . . 15855 1 H 1 water protons . . . . ppm 4.770 internal direct 1 . . . . . . . . . 15855 1 N 15 water protons . . . . ppm 4.770 internal indirect 0.101329118 . . . . . . . . . 15855 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15855 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 '2D 1H-15N HSQC' . . . 15855 1 2 '2D 1H-13C HMQC Aliphatic' . . . 15855 1 3 '3D HNCO' . . . 15855 1 16 '2D 1H-13C HMQC Aromatic' . . . 15855 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 4 $NMRView . . 15855 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 4 4 MET HE1 H 1 2.033 0.02 . 5 . . . . 1 M HE . 15855 1 2 . 1 1 4 4 MET HE2 H 1 2.033 0.02 . 5 . . . . 1 M HE . 15855 1 3 . 1 1 4 4 MET HE3 H 1 2.033 0.02 . 5 . . . . 1 M HE . 15855 1 4 . 1 1 4 4 MET C C 13 177.287 0.2 . 1 . . . . 1 M C . 15855 1 5 . 1 1 4 4 MET CE C 13 17.651 0.2 . 5 . . . . 1 M CE . 15855 1 6 . 1 1 5 5 THR H H 1 8.208 0.02 . 1 . . . . 2 T HN . 15855 1 7 . 1 1 5 5 THR HA H 1 4.302 0.02 . 1 . . . . 2 T HA . 15855 1 8 . 1 1 5 5 THR HB H 1 4.270 0.02 . 1 . . . . 2 T HB . 15855 1 9 . 1 1 5 5 THR HG21 H 1 1.265 0.02 . 1 . . . . 2 T HG2 . 15855 1 10 . 1 1 5 5 THR HG22 H 1 1.265 0.02 . 1 . . . . 2 T HG2 . 15855 1 11 . 1 1 5 5 THR HG23 H 1 1.265 0.02 . 1 . . . . 2 T HG2 . 15855 1 12 . 1 1 5 5 THR C C 13 174.901 0.2 . 1 . . . . 2 T C . 15855 1 13 . 1 1 5 5 THR CA C 13 62.769 0.2 . 1 . . . . 2 T CA . 15855 1 14 . 1 1 5 5 THR CB C 13 70.561 0.2 . 1 . . . . 2 T CB . 15855 1 15 . 1 1 5 5 THR CG2 C 13 22.171 0.2 . 1 . . . . 2 T CG2 . 15855 1 16 . 1 1 5 5 THR N N 15 120.526 0.1 . 1 . . . . 2 T N . 15855 1 17 . 1 1 6 6 LEU H H 1 8.391 0.02 . 1 . . . . 3 L HN . 15855 1 18 . 1 1 6 6 LEU HA H 1 4.367 0.02 . 1 . . . . 3 L HA . 15855 1 19 . 1 1 6 6 LEU HB2 H 1 1.632 0.02 . 1 . . . . 3 L HB2 . 15855 1 20 . 1 1 6 6 LEU HB3 H 1 1.632 0.02 . 1 . . . . 3 L HB3 . 15855 1 21 . 1 1 6 6 LEU C C 13 177.496 0.2 . 1 . . . . 3 L C . 15855 1 22 . 1 1 6 6 LEU CA C 13 56.128 0.2 . 1 . . . . 3 L CA . 15855 1 23 . 1 1 6 6 LEU CB C 13 42.835 0.2 . 1 . . . . 3 L CB . 15855 1 24 . 1 1 6 6 LEU CD1 C 13 24.110 0.2 . 2 . . . . 3 L CD1 . 15855 1 25 . 1 1 6 6 LEU CD2 C 13 25.534 0.2 . 2 . . . . 3 L CD2 . 15855 1 26 . 1 1 6 6 LEU CG C 13 27.522 0.2 . 1 . . . . 3 L CG . 15855 1 27 . 1 1 6 6 LEU N N 15 124.286 0.1 . 1 . . . . 3 L N . 15855 1 28 . 1 1 7 7 GLU H H 1 8.380 0.02 . 1 . . . . 4 E HN . 15855 1 29 . 1 1 7 7 GLU HA H 1 4.193 0.02 . 1 . . . . 4 E HA . 15855 1 30 . 1 1 7 7 GLU HB2 H 1 1.844 0.02 . 1 . . . . 4 E HB2 . 15855 1 31 . 1 1 7 7 GLU HB3 H 1 1.844 0.02 . 1 . . . . 4 E HB3 . 15855 1 32 . 1 1 7 7 GLU HG2 H 1 2.199 0.02 . 1 . . . . 4 E HG2 . 15855 1 33 . 1 1 7 7 GLU HG3 H 1 2.199 0.02 . 1 . . . . 4 E HG3 . 15855 1 34 . 1 1 7 7 GLU C C 13 176.402 0.2 . 1 . . . . 4 E C . 15855 1 35 . 1 1 7 7 GLU CA C 13 57.431 0.2 . 1 . . . . 4 E CA . 15855 1 36 . 1 1 7 7 GLU CB C 13 30.664 0.2 . 1 . . . . 4 E CB . 15855 1 37 . 1 1 7 7 GLU CG C 13 34.392 0.2 . 1 . . . . 4 E CG . 15855 1 38 . 1 1 7 7 GLU N N 15 121.388 0.1 . 1 . . . . 4 E N . 15855 1 39 . 1 1 8 8 GLU H H 1 8.490 0.02 . 1 . . . . 5 E HN . 15855 1 40 . 1 1 8 8 GLU HA H 1 4.298 0.02 . 1 . . . . 5 E HA . 15855 1 41 . 1 1 8 8 GLU HB2 H 1 1.950 0.02 . 1 . . . . 5 E HB2 . 15855 1 42 . 1 1 8 8 GLU HB3 H 1 1.950 0.02 . 1 . . . . 5 E HB3 . 15855 1 43 . 1 1 8 8 GLU C C 13 176.228 0.2 . 1 . . . . 5 E C . 15855 1 44 . 1 1 8 8 GLU CA C 13 57.203 0.2 . 1 . . . . 5 E CA . 15855 1 45 . 1 1 8 8 GLU CB C 13 30.495 0.2 . 1 . . . . 5 E CB . 15855 1 46 . 1 1 8 8 GLU CG C 13 36.765 0.2 . 1 . . . . 5 E CG . 15855 1 47 . 1 1 8 8 GLU N N 15 123.681 0.1 . 1 . . . . 5 E N . 15855 1 48 . 1 1 9 9 PHE H H 1 8.254 0.02 . 1 . . . . 6 F HN . 15855 1 49 . 1 1 9 9 PHE HA H 1 4.573 0.02 . 1 . . . . 6 F HA . 15855 1 50 . 1 1 9 9 PHE HB2 H 1 3.018 0.02 . 2 . . . . 6 F HB2 . 15855 1 51 . 1 1 9 9 PHE HB3 H 1 3.133 0.02 . 2 . . . . 6 F HB3 . 15855 1 52 . 1 1 9 9 PHE HD1 H 1 7.227 0.02 . 3 . . . . 6 F HD1 . 15855 1 53 . 1 1 9 9 PHE HE1 H 1 7.303 0.02 . 3 . . . . 6 F HE1 . 15855 1 54 . 1 1 9 9 PHE HZ H 1 7.254 0.02 . 1 . . . . 6 F HZ . 15855 1 55 . 1 1 9 9 PHE C C 13 175.847 0.2 . 1 . . . . 6 F C . 15855 1 56 . 1 1 9 9 PHE CA C 13 58.839 0.2 . 1 . . . . 6 F CA . 15855 1 57 . 1 1 9 9 PHE CB C 13 40.290 0.2 . 1 . . . . 6 F CB . 15855 1 58 . 1 1 9 9 PHE CD1 C 13 131.931 0.2 . 3 . . . . 6 F CD1 . 15855 1 59 . 1 1 9 9 PHE CE1 C 13 131.346 0.2 . 3 . . . . 6 F CE1 . 15855 1 60 . 1 1 9 9 PHE CZ C 13 129.881 0.2 . 1 . . . . 6 F CZ . 15855 1 61 . 1 1 9 9 PHE N N 15 120.878 0.1 . 1 . . . . 6 F N . 15855 1 62 . 1 1 10 10 SER H H 1 8.231 0.02 . 1 . . . . 7 S HN . 15855 1 63 . 1 1 10 10 SER HA H 1 4.389 0.02 . 1 . . . . 7 S HA . 15855 1 64 . 1 1 10 10 SER HB2 H 1 3.833 0.02 . 1 . . . . 7 S HB2 . 15855 1 65 . 1 1 10 10 SER HB3 H 1 3.833 0.02 . 1 . . . . 7 S HB3 . 15855 1 66 . 1 1 10 10 SER C C 13 174.207 0.2 . 1 . . . . 7 S C . 15855 1 67 . 1 1 10 10 SER CA C 13 55.024 0.2 . 1 . . . . 7 S CA . 15855 1 68 . 1 1 10 10 SER CB C 13 64.458 0.2 . 1 . . . . 7 S CB . 15855 1 69 . 1 1 10 10 SER N N 15 117.299 0.1 . 1 . . . . 7 S N . 15855 1 70 . 1 1 11 11 ALA H H 1 8.227 0.02 . 1 . . . . 8 A HN . 15855 1 71 . 1 1 11 11 ALA HA H 1 4.352 0.02 . 1 . . . . 8 A HA . 15855 1 72 . 1 1 11 11 ALA HB1 H 1 1.414 0.02 . 1 . . . . 8 A HB . 15855 1 73 . 1 1 11 11 ALA HB2 H 1 1.414 0.02 . 1 . . . . 8 A HB . 15855 1 74 . 1 1 11 11 ALA HB3 H 1 1.414 0.02 . 1 . . . . 8 A HB . 15855 1 75 . 1 1 11 11 ALA C C 13 178.251 0.2 . 1 . . . . 8 A C . 15855 1 76 . 1 1 11 11 ALA CA C 13 53.352 0.2 . 1 . . . . 8 A CA . 15855 1 77 . 1 1 11 11 ALA CB C 13 19.459 0.2 . 1 . . . . 8 A CB . 15855 1 78 . 1 1 11 11 ALA N N 15 125.944 0.1 . 1 . . . . 8 A N . 15855 1 79 . 1 1 12 12 GLY H H 1 8.256 0.02 . 1 . . . . 9 G HN . 15855 1 80 . 1 1 12 12 GLY HA2 H 1 3.932 0.02 . 2 . . . . 9 G HA2 . 15855 1 81 . 1 1 12 12 GLY HA3 H 1 4.326 0.02 . 2 . . . . 9 G HA3 . 15855 1 82 . 1 1 12 12 GLY C C 13 174.239 0.2 . 1 . . . . 9 G C . 15855 1 83 . 1 1 12 12 GLY CA C 13 45.919 0.2 . 1 . . . . 9 G CA . 15855 1 84 . 1 1 12 12 GLY N N 15 107.571 0.1 . 1 . . . . 9 G N . 15855 1 85 . 1 1 13 13 GLU H H 1 8.228 0.02 . 1 . . . . 10 E HN . 15855 1 86 . 1 1 13 13 GLU HA H 1 4.262 0.02 . 1 . . . . 10 E HA . 15855 1 87 . 1 1 13 13 GLU HB2 H 1 1.958 0.02 . 1 . . . . 10 E HB2 . 15855 1 88 . 1 1 13 13 GLU HB3 H 1 1.958 0.02 . 1 . . . . 10 E HB3 . 15855 1 89 . 1 1 13 13 GLU HG2 H 1 2.208 0.02 . 1 . . . . 10 E HG2 . 15855 1 90 . 1 1 13 13 GLU HG3 H 1 2.208 0.02 . 1 . . . . 10 E HG3 . 15855 1 91 . 1 1 13 13 GLU C C 13 176.628 0.2 . 1 . . . . 10 E C . 15855 1 92 . 1 1 13 13 GLU CA C 13 57.186 0.2 . 1 . . . . 10 E CA . 15855 1 93 . 1 1 13 13 GLU CB C 13 30.502 0.2 . 1 . . . . 10 E CB . 15855 1 94 . 1 1 13 13 GLU CG C 13 36.801 0.2 . 1 . . . . 10 E CG . 15855 1 95 . 1 1 13 13 GLU N N 15 120.659 0.1 . 1 . . . . 10 E N . 15855 1 96 . 1 1 14 14 GLN H H 1 8.454 0.02 . 1 . . . . 11 Q HN . 15855 1 97 . 1 1 14 14 GLN HA H 1 4.278 0.02 . 1 . . . . 11 Q HA . 15855 1 98 . 1 1 14 14 GLN HB2 H 1 2.001 0.02 . 1 . . . . 11 Q HB2 . 15855 1 99 . 1 1 14 14 GLN HB3 H 1 2.001 0.02 . 1 . . . . 11 Q HB3 . 15855 1 100 . 1 1 14 14 GLN HG2 H 1 2.371 0.02 . 1 . . . . 11 Q HG2 . 15855 1 101 . 1 1 14 14 GLN HG3 H 1 2.371 0.02 . 1 . . . . 11 Q HG3 . 15855 1 102 . 1 1 14 14 GLN C C 13 176.097 0.2 . 1 . . . . 11 Q C . 15855 1 103 . 1 1 14 14 GLN CA C 13 56.579 0.2 . 1 . . . . 11 Q CA . 15855 1 104 . 1 1 14 14 GLN CB C 13 29.726 0.2 . 1 . . . . 11 Q CB . 15855 1 105 . 1 1 14 14 GLN CG C 13 34.445 0.2 . 1 . . . . 11 Q CG . 15855 1 106 . 1 1 14 14 GLN N N 15 121.461 0.1 . 1 . . . . 11 Q N . 15855 1 107 . 1 1 15 15 LYS H H 1 8.422 0.02 . 1 . . . . 12 K HN . 15855 1 108 . 1 1 15 15 LYS HA H 1 4.363 0.02 . 1 . . . . 12 K HA . 15855 1 109 . 1 1 15 15 LYS HB2 H 1 1.790 0.02 . 1 . . . . 12 K HB2 . 15855 1 110 . 1 1 15 15 LYS HB3 H 1 1.790 0.02 . 1 . . . . 12 K HB3 . 15855 1 111 . 1 1 15 15 LYS C C 13 176.988 0.2 . 1 . . . . 12 K C . 15855 1 112 . 1 1 15 15 LYS CA C 13 57.378 0.2 . 1 . . . . 12 K CA . 15855 1 113 . 1 1 15 15 LYS CB C 13 33.304 0.2 . 1 . . . . 12 K CB . 15855 1 114 . 1 1 15 15 LYS CD C 13 29.411 0.2 . 1 . . . . 12 K CD . 15855 1 115 . 1 1 15 15 LYS CE C 13 42.908 0.2 . 1 . . . . 12 K CE . 15855 1 116 . 1 1 15 15 LYS N N 15 122.877 0.1 . 1 . . . . 12 K N . 15855 1 117 . 1 1 16 16 THR H H 1 8.208 0.02 . 1 . . . . 13 T HN . 15855 1 118 . 1 1 16 16 THR HA H 1 4.243 0.02 . 1 . . . . 13 T HA . 15855 1 119 . 1 1 16 16 THR HB H 1 4.169 0.02 . 1 . . . . 13 T HB . 15855 1 120 . 1 1 16 16 THR HG21 H 1 1.239 0.02 . 1 . . . . 13 T HG2 . 15855 1 121 . 1 1 16 16 THR HG22 H 1 1.239 0.02 . 1 . . . . 13 T HG2 . 15855 1 122 . 1 1 16 16 THR HG23 H 1 1.239 0.02 . 1 . . . . 13 T HG2 . 15855 1 123 . 1 1 16 16 THR C C 13 174.813 0.2 . 1 . . . . 13 T C . 15855 1 124 . 1 1 16 16 THR CA C 13 63.247 0.2 . 1 . . . . 13 T CA . 15855 1 125 . 1 1 16 16 THR CB C 13 70.495 0.2 . 1 . . . . 13 T CB . 15855 1 126 . 1 1 16 16 THR CG2 C 13 22.297 0.2 . 1 . . . . 13 T CG2 . 15855 1 127 . 1 1 16 16 THR N N 15 115.381 0.1 . 1 . . . . 13 T N . 15855 1 128 . 1 1 17 17 GLU H H 1 8.505 0.02 . 1 . . . . 14 E HN . 15855 1 129 . 1 1 17 17 GLU HA H 1 4.271 0.02 . 1 . . . . 14 E HA . 15855 1 130 . 1 1 17 17 GLU HB2 H 1 1.915 0.02 . 1 . . . . 14 E HB2 . 15855 1 131 . 1 1 17 17 GLU HB3 H 1 1.915 0.02 . 1 . . . . 14 E HB3 . 15855 1 132 . 1 1 17 17 GLU C C 13 177.006 0.2 . 1 . . . . 14 E C . 15855 1 133 . 1 1 17 17 GLU CA C 13 57.921 0.2 . 1 . . . . 14 E CA . 15855 1 134 . 1 1 17 17 GLU CB C 13 31.059 0.2 . 1 . . . . 14 E CB . 15855 1 135 . 1 1 17 17 GLU N N 15 123.399 0.1 . 1 . . . . 14 E N . 15855 1 136 . 1 1 19 19 MET HA H 1 4.351 0.02 . 1 . . . . 16 M HA . 15855 1 137 . 1 1 19 19 MET HB2 H 1 1.900 0.02 . 1 . . . . 16 M HB2 . 15855 1 138 . 1 1 19 19 MET HB3 H 1 1.900 0.02 . 1 . . . . 16 M HB3 . 15855 1 139 . 1 1 19 19 MET HE1 H 1 2.067 0.02 . 5 . . . . 16 M HE . 15855 1 140 . 1 1 19 19 MET HE2 H 1 2.067 0.02 . 5 . . . . 16 M HE . 15855 1 141 . 1 1 19 19 MET HE3 H 1 2.067 0.02 . 5 . . . . 16 M HE . 15855 1 142 . 1 1 19 19 MET HG2 H 1 2.103 0.02 . 1 . . . . 16 M HG2 . 15855 1 143 . 1 1 19 19 MET HG3 H 1 2.103 0.02 . 1 . . . . 16 M HG3 . 15855 1 144 . 1 1 19 19 MET C C 13 177.401 0.2 . 1 . . . . 16 M C . 15855 1 145 . 1 1 19 19 MET CA C 13 57.524 0.2 . 1 . . . . 16 M CA . 15855 1 146 . 1 1 19 19 MET CB C 13 30.836 0.2 . 1 . . . . 16 M CB . 15855 1 147 . 1 1 19 19 MET CE C 13 17.707 0.2 . 5 . . . . 16 M CE . 15855 1 148 . 1 1 19 19 MET CG C 13 32.289 0.2 . 1 . . . . 16 M CG . 15855 1 149 . 1 1 20 20 ASP H H 1 8.374 0.02 . 1 . . . . 17 D HN . 15855 1 150 . 1 1 20 20 ASP HA H 1 4.528 0.02 . 1 . . . . 17 D HA . 15855 1 151 . 1 1 20 20 ASP HB2 H 1 2.707 0.02 . 2 . . . . 17 D HB2 . 15855 1 152 . 1 1 20 20 ASP HB3 H 1 2.743 0.02 . 2 . . . . 17 D HB3 . 15855 1 153 . 1 1 20 20 ASP C C 13 177.278 0.2 . 1 . . . . 17 D C . 15855 1 154 . 1 1 20 20 ASP CA C 13 57.037 0.2 . 1 . . . . 17 D CA . 15855 1 155 . 1 1 20 20 ASP CB C 13 41.218 0.2 . 1 . . . . 17 D CB . 15855 1 156 . 1 1 20 20 ASP N N 15 121.176 0.1 . 1 . . . . 17 D N . 15855 1 157 . 1 1 21 21 LYS H H 1 8.093 0.02 . 1 . . . . 18 K HN . 15855 1 158 . 1 1 21 21 LYS HA H 1 4.319 0.02 . 1 . . . . 18 K HA . 15855 1 159 . 1 1 21 21 LYS HB2 H 1 1.917 0.02 . 1 . . . . 18 K HB2 . 15855 1 160 . 1 1 21 21 LYS HB3 H 1 1.917 0.02 . 1 . . . . 18 K HB3 . 15855 1 161 . 1 1 21 21 LYS HG2 H 1 1.419 0.02 . 1 . . . . 18 K HG2 . 15855 1 162 . 1 1 21 21 LYS HG3 H 1 1.419 0.02 . 1 . . . . 18 K HG3 . 15855 1 163 . 1 1 21 21 LYS C C 13 179.054 0.2 . 1 . . . . 18 K C . 15855 1 164 . 1 1 21 21 LYS CA C 13 58.163 0.2 . 1 . . . . 18 K CA . 15855 1 165 . 1 1 21 21 LYS CB C 13 32.383 0.2 . 1 . . . . 18 K CB . 15855 1 166 . 1 1 21 21 LYS CD C 13 33.127 0.2 . 1 . . . . 18 K CD . 15855 1 167 . 1 1 21 21 LYS CE C 13 42.580 0.2 . 1 . . . . 18 K CE . 15855 1 168 . 1 1 21 21 LYS CG C 13 25.477 0.2 . 1 . . . . 18 K CG . 15855 1 169 . 1 1 21 21 LYS N N 15 119.556 0.1 . 1 . . . . 18 K N . 15855 1 170 . 1 1 22 22 VAL H H 1 7.909 0.02 . 1 . . . . 19 V HN . 15855 1 171 . 1 1 22 22 VAL HA H 1 3.618 0.02 . 1 . . . . 19 V HA . 15855 1 172 . 1 1 22 22 VAL HB H 1 1.743 0.02 . 1 . . . . 19 V HB . 15855 1 173 . 1 1 22 22 VAL HG11 H 1 0.375 0.02 . 2 . . . . 19 V HG1 . 15855 1 174 . 1 1 22 22 VAL HG12 H 1 0.375 0.02 . 2 . . . . 19 V HG1 . 15855 1 175 . 1 1 22 22 VAL HG13 H 1 0.375 0.02 . 2 . . . . 19 V HG1 . 15855 1 176 . 1 1 22 22 VAL HG21 H 1 0.506 0.02 . 2 . . . . 19 V HG2 . 15855 1 177 . 1 1 22 22 VAL HG22 H 1 0.506 0.02 . 2 . . . . 19 V HG2 . 15855 1 178 . 1 1 22 22 VAL HG23 H 1 0.506 0.02 . 2 . . . . 19 V HG2 . 15855 1 179 . 1 1 22 22 VAL C C 13 177.321 0.2 . 1 . . . . 19 V C . 15855 1 180 . 1 1 22 22 VAL CA C 13 66.189 0.2 . 1 . . . . 19 V CA . 15855 1 181 . 1 1 22 22 VAL CB C 13 31.547 0.2 . 1 . . . . 19 V CB . 15855 1 182 . 1 1 22 22 VAL CG1 C 13 21.878 0.2 . 2 . . . . 19 V CG1 . 15855 1 183 . 1 1 22 22 VAL CG2 C 13 22.107 0.2 . 2 . . . . 19 V CG2 . 15855 1 184 . 1 1 22 22 VAL N N 15 119.617 0.1 . 1 . . . . 19 V N . 15855 1 185 . 1 1 23 23 GLY H H 1 8.347 0.02 . 1 . . . . 20 G HN . 15855 1 186 . 1 1 23 23 GLY HA2 H 1 3.519 0.02 . 2 . . . . 20 G HA2 . 15855 1 187 . 1 1 23 23 GLY HA3 H 1 3.945 0.02 . 2 . . . . 20 G HA3 . 15855 1 188 . 1 1 23 23 GLY C C 13 175.546 0.2 . 1 . . . . 20 G C . 15855 1 189 . 1 1 23 23 GLY CA C 13 48.380 0.2 . 1 . . . . 20 G CA . 15855 1 190 . 1 1 23 23 GLY N N 15 109.273 0.1 . 1 . . . . 20 G N . 15855 1 191 . 1 1 24 24 ASP H H 1 7.764 0.02 . 1 . . . . 21 D HN . 15855 1 192 . 1 1 24 24 ASP HA H 1 4.293 0.02 . 1 . . . . 21 D HA . 15855 1 193 . 1 1 24 24 ASP HB2 H 1 2.644 0.02 . 2 . . . . 21 D HB2 . 15855 1 194 . 1 1 24 24 ASP HB3 H 1 2.765 0.02 . 2 . . . . 21 D HB3 . 15855 1 195 . 1 1 24 24 ASP C C 13 178.948 0.2 . 1 . . . . 21 D C . 15855 1 196 . 1 1 24 24 ASP CA C 13 57.818 0.2 . 1 . . . . 21 D CA . 15855 1 197 . 1 1 24 24 ASP CB C 13 40.665 0.2 . 1 . . . . 21 D CB . 15855 1 198 . 1 1 24 24 ASP N N 15 121.474 0.1 . 1 . . . . 21 D N . 15855 1 199 . 1 1 25 25 ALA H H 1 7.668 0.02 . 1 . . . . 22 A HN . 15855 1 200 . 1 1 25 25 ALA HA H 1 4.198 0.02 . 1 . . . . 22 A HA . 15855 1 201 . 1 1 25 25 ALA HB1 H 1 1.517 0.02 . 1 . . . . 22 A HB . 15855 1 202 . 1 1 25 25 ALA HB2 H 1 1.517 0.02 . 1 . . . . 22 A HB . 15855 1 203 . 1 1 25 25 ALA HB3 H 1 1.517 0.02 . 1 . . . . 22 A HB . 15855 1 204 . 1 1 25 25 ALA C C 13 179.055 0.2 . 1 . . . . 22 A C . 15855 1 205 . 1 1 25 25 ALA CA C 13 55.329 0.2 . 1 . . . . 22 A CA . 15855 1 206 . 1 1 25 25 ALA CB C 13 17.807 0.2 . 1 . . . . 22 A CB . 15855 1 207 . 1 1 25 25 ALA N N 15 123.337 0.1 . 1 . . . . 22 A N . 15855 1 208 . 1 1 26 26 LEU H H 1 8.229 0.02 . 1 . . . . 23 L HN . 15855 1 209 . 1 1 26 26 LEU HA H 1 3.992 0.02 . 1 . . . . 23 L HA . 15855 1 210 . 1 1 26 26 LEU HB2 H 1 1.355 0.02 . 1 . . . . 23 L HB2 . 15855 1 211 . 1 1 26 26 LEU HB3 H 1 1.355 0.02 . 1 . . . . 23 L HB3 . 15855 1 212 . 1 1 26 26 LEU HD11 H 1 0.804 0.02 . 2 . . . . 23 L HD1 . 15855 1 213 . 1 1 26 26 LEU HD12 H 1 0.804 0.02 . 2 . . . . 23 L HD1 . 15855 1 214 . 1 1 26 26 LEU HD13 H 1 0.804 0.02 . 2 . . . . 23 L HD1 . 15855 1 215 . 1 1 26 26 LEU HD21 H 1 0.820 0.02 . 2 . . . . 23 L HD2 . 15855 1 216 . 1 1 26 26 LEU HD22 H 1 0.820 0.02 . 2 . . . . 23 L HD2 . 15855 1 217 . 1 1 26 26 LEU HD23 H 1 0.820 0.02 . 2 . . . . 23 L HD2 . 15855 1 218 . 1 1 26 26 LEU HG H 1 1.717 0.02 . 1 . . . . 23 L HG . 15855 1 219 . 1 1 26 26 LEU C C 13 177.610 0.2 . 1 . . . . 23 L C . 15855 1 220 . 1 1 26 26 LEU CA C 13 57.991 0.2 . 1 . . . . 23 L CA . 15855 1 221 . 1 1 26 26 LEU CB C 13 41.043 0.2 . 1 . . . . 23 L CB . 15855 1 222 . 1 1 26 26 LEU CD1 C 13 26.606 0.2 . 2 . . . . 23 L CD1 . 15855 1 223 . 1 1 26 26 LEU CD2 C 13 24.401 0.2 . 2 . . . . 23 L CD2 . 15855 1 224 . 1 1 26 26 LEU CG C 13 27.496 0.2 . 1 . . . . 23 L CG . 15855 1 225 . 1 1 26 26 LEU N N 15 117.771 0.1 . 1 . . . . 23 L N . 15855 1 226 . 1 1 27 27 GLU H H 1 8.054 0.02 . 1 . . . . 24 E HN . 15855 1 227 . 1 1 27 27 GLU HA H 1 3.621 0.02 . 1 . . . . 24 E HA . 15855 1 228 . 1 1 27 27 GLU HB2 H 1 1.996 0.02 . 1 . . . . 24 E HB2 . 15855 1 229 . 1 1 27 27 GLU HB3 H 1 1.996 0.02 . 1 . . . . 24 E HB3 . 15855 1 230 . 1 1 27 27 GLU HG2 H 1 2.216 0.02 . 1 . . . . 24 E HG2 . 15855 1 231 . 1 1 27 27 GLU HG3 H 1 2.216 0.02 . 1 . . . . 24 E HG3 . 15855 1 232 . 1 1 27 27 GLU C C 13 177.935 0.2 . 1 . . . . 24 E C . 15855 1 233 . 1 1 27 27 GLU CA C 13 61.216 0.2 . 1 . . . . 24 E CA . 15855 1 234 . 1 1 27 27 GLU CB C 13 29.981 0.2 . 1 . . . . 24 E CB . 15855 1 235 . 1 1 27 27 GLU CG C 13 37.367 0.2 . 1 . . . . 24 E CG . 15855 1 236 . 1 1 27 27 GLU N N 15 119.251 0.1 . 1 . . . . 24 E N . 15855 1 237 . 1 1 28 28 GLU H H 1 7.900 0.02 . 1 . . . . 25 E HN . 15855 1 238 . 1 1 28 28 GLU HA H 1 4.040 0.02 . 1 . . . . 25 E HA . 15855 1 239 . 1 1 28 28 GLU HB2 H 1 2.155 0.02 . 1 . . . . 25 E HB2 . 15855 1 240 . 1 1 28 28 GLU HB3 H 1 2.155 0.02 . 1 . . . . 25 E HB3 . 15855 1 241 . 1 1 28 28 GLU HG2 H 1 2.160 0.02 . 1 . . . . 25 E HG2 . 15855 1 242 . 1 1 28 28 GLU HG3 H 1 2.160 0.02 . 1 . . . . 25 E HG3 . 15855 1 243 . 1 1 28 28 GLU C C 13 179.067 0.2 . 1 . . . . 25 E C . 15855 1 244 . 1 1 28 28 GLU CA C 13 60.499 0.2 . 1 . . . . 25 E CA . 15855 1 245 . 1 1 28 28 GLU CB C 13 29.976 0.2 . 1 . . . . 25 E CB . 15855 1 246 . 1 1 28 28 GLU CG C 13 36.981 0.2 . 1 . . . . 25 E CG . 15855 1 247 . 1 1 28 28 GLU N N 15 120.116 0.1 . 1 . . . . 25 E N . 15855 1 248 . 1 1 29 29 VAL H H 1 8.450 0.02 . 1 . . . . 26 V HN . 15855 1 249 . 1 1 29 29 VAL HA H 1 3.635 0.02 . 1 . . . . 26 V HA . 15855 1 250 . 1 1 29 29 VAL HB H 1 2.056 0.02 . 1 . . . . 26 V HB . 15855 1 251 . 1 1 29 29 VAL HG11 H 1 0.872 0.02 . 2 . . . . 26 V HG1 . 15855 1 252 . 1 1 29 29 VAL HG12 H 1 0.872 0.02 . 2 . . . . 26 V HG1 . 15855 1 253 . 1 1 29 29 VAL HG13 H 1 0.872 0.02 . 2 . . . . 26 V HG1 . 15855 1 254 . 1 1 29 29 VAL C C 13 178.294 0.2 . 1 . . . . 26 V C . 15855 1 255 . 1 1 29 29 VAL CA C 13 67.556 0.2 . 1 . . . . 26 V CA . 15855 1 256 . 1 1 29 29 VAL CB C 13 32.326 0.2 . 1 . . . . 26 V CB . 15855 1 257 . 1 1 29 29 VAL CG1 C 13 24.469 0.2 . 2 . . . . 26 V CG1 . 15855 1 258 . 1 1 29 29 VAL N N 15 119.895 0.1 . 1 . . . . 26 V N . 15855 1 259 . 1 1 30 30 LEU H H 1 8.575 0.02 . 1 . . . . 27 L HN . 15855 1 260 . 1 1 30 30 LEU HA H 1 3.917 0.02 . 1 . . . . 27 L HA . 15855 1 261 . 1 1 30 30 LEU HB2 H 1 1.169 0.02 . 4 . . . . 27 L HB2 . 15855 1 262 . 1 1 30 30 LEU HB3 H 1 1.489 0.02 . 4 . . . . 27 L HB3 . 15855 1 263 . 1 1 30 30 LEU HD11 H 1 0.652 0.02 . 2 . . . . 27 L HD1 . 15855 1 264 . 1 1 30 30 LEU HD12 H 1 0.652 0.02 . 2 . . . . 27 L HD1 . 15855 1 265 . 1 1 30 30 LEU HD13 H 1 0.652 0.02 . 2 . . . . 27 L HD1 . 15855 1 266 . 1 1 30 30 LEU HD21 H 1 0.829 0.02 . 2 . . . . 27 L HD2 . 15855 1 267 . 1 1 30 30 LEU HD22 H 1 0.829 0.02 . 2 . . . . 27 L HD2 . 15855 1 268 . 1 1 30 30 LEU HD23 H 1 0.829 0.02 . 2 . . . . 27 L HD2 . 15855 1 269 . 1 1 30 30 LEU HG H 1 1.744 0.02 . 4 . . . . 27 L HG . 15855 1 270 . 1 1 30 30 LEU C C 13 178.195 0.2 . 1 . . . . 27 L C . 15855 1 271 . 1 1 30 30 LEU CA C 13 58.429 0.2 . 1 . . . . 27 L CA . 15855 1 272 . 1 1 30 30 LEU CB C 13 42.258 0.2 . 1 . . . . 27 L CB . 15855 1 273 . 1 1 30 30 LEU CD1 C 13 23.404 0.2 . 2 . . . . 27 L CD1 . 15855 1 274 . 1 1 30 30 LEU CD2 C 13 22.356 0.2 . 2 . . . . 27 L CD2 . 15855 1 275 . 1 1 30 30 LEU CG C 13 26.983 0.2 . 1 . . . . 27 L CG . 15855 1 276 . 1 1 30 30 LEU N N 15 118.699 0.1 . 1 . . . . 27 L N . 15855 1 277 . 1 1 31 31 SER H H 1 8.378 0.02 . 1 . . . . 28 S HN . 15855 1 278 . 1 1 31 31 SER HA H 1 4.004 0.02 . 1 . . . . 28 S HA . 15855 1 279 . 1 1 31 31 SER HB2 H 1 4.133 0.02 . 1 . . . . 28 S HB2 . 15855 1 280 . 1 1 31 31 SER HB3 H 1 4.133 0.02 . 1 . . . . 28 S HB3 . 15855 1 281 . 1 1 31 31 SER C C 13 177.801 0.2 . 1 . . . . 28 S C . 15855 1 282 . 1 1 31 31 SER CA C 13 63.416 0.2 . 1 . . . . 28 S CA . 15855 1 283 . 1 1 31 31 SER CB C 13 62.938 0.2 . 1 . . . . 28 S CB . 15855 1 284 . 1 1 31 31 SER N N 15 114.159 0.1 . 1 . . . . 28 S N . 15855 1 285 . 1 1 32 32 LYS H H 1 8.209 0.02 . 1 . . . . 29 K HN . 15855 1 286 . 1 1 32 32 LYS HA H 1 4.077 0.02 . 1 . . . . 29 K HA . 15855 1 287 . 1 1 32 32 LYS HB2 H 1 1.982 0.02 . 1 . . . . 29 K HB2 . 15855 1 288 . 1 1 32 32 LYS HB3 H 1 1.982 0.02 . 1 . . . . 29 K HB3 . 15855 1 289 . 1 1 32 32 LYS HG2 H 1 1.393 0.02 . 1 . . . . 29 K HG2 . 15855 1 290 . 1 1 32 32 LYS HG3 H 1 1.393 0.02 . 1 . . . . 29 K HG3 . 15855 1 291 . 1 1 32 32 LYS C C 13 178.665 0.2 . 1 . . . . 29 K C . 15855 1 292 . 1 1 32 32 LYS CA C 13 60.052 0.2 . 1 . . . . 29 K CA . 15855 1 293 . 1 1 32 32 LYS CB C 13 33.092 0.2 . 1 . . . . 29 K CB . 15855 1 294 . 1 1 32 32 LYS CG C 13 25.781 0.2 . 1 . . . . 29 K CG . 15855 1 295 . 1 1 32 32 LYS N N 15 123.075 0.1 . 1 . . . . 29 K N . 15855 1 296 . 1 1 33 33 ALA H H 1 8.825 0.02 . 1 . . . . 30 A HN . 15855 1 297 . 1 1 33 33 ALA HA H 1 4.256 0.02 . 1 . . . . 30 A HA . 15855 1 298 . 1 1 33 33 ALA HB1 H 1 1.561 0.02 . 1 . . . . 30 A HB . 15855 1 299 . 1 1 33 33 ALA HB2 H 1 1.561 0.02 . 1 . . . . 30 A HB . 15855 1 300 . 1 1 33 33 ALA HB3 H 1 1.561 0.02 . 1 . . . . 30 A HB . 15855 1 301 . 1 1 33 33 ALA C C 13 179.970 0.2 . 1 . . . . 30 A C . 15855 1 302 . 1 1 33 33 ALA CA C 13 55.378 0.2 . 1 . . . . 30 A CA . 15855 1 303 . 1 1 33 33 ALA CB C 13 19.875 0.2 . 1 . . . . 30 A CB . 15855 1 304 . 1 1 33 33 ALA N N 15 123.085 0.1 . 1 . . . . 30 A N . 15855 1 305 . 1 1 34 34 LEU H H 1 8.517 0.02 . 1 . . . . 31 L HN . 15855 1 306 . 1 1 34 34 LEU HA H 1 4.028 0.02 . 1 . . . . 31 L HA . 15855 1 307 . 1 1 34 34 LEU HB2 H 1 1.753 0.02 . 1 . . . . 31 L HB2 . 15855 1 308 . 1 1 34 34 LEU HB3 H 1 1.753 0.02 . 1 . . . . 31 L HB3 . 15855 1 309 . 1 1 34 34 LEU HD11 H 1 0.791 0.02 . 2 . . . . 31 L HD1 . 15855 1 310 . 1 1 34 34 LEU HD12 H 1 0.791 0.02 . 2 . . . . 31 L HD1 . 15855 1 311 . 1 1 34 34 LEU HD13 H 1 0.791 0.02 . 2 . . . . 31 L HD1 . 15855 1 312 . 1 1 34 34 LEU HD21 H 1 0.987 0.02 . 2 . . . . 31 L HD2 . 15855 1 313 . 1 1 34 34 LEU HD22 H 1 0.987 0.02 . 2 . . . . 31 L HD2 . 15855 1 314 . 1 1 34 34 LEU HD23 H 1 0.987 0.02 . 2 . . . . 31 L HD2 . 15855 1 315 . 1 1 34 34 LEU HG H 1 1.597 0.02 . 1 . . . . 31 L HG . 15855 1 316 . 1 1 34 34 LEU CA C 13 58.953 0.2 . 1 . . . . 31 L CA . 15855 1 317 . 1 1 34 34 LEU CB C 13 42.793 0.2 . 1 . . . . 31 L CB . 15855 1 318 . 1 1 34 34 LEU CD2 C 13 26.017 0.2 . 2 . . . . 31 L CD2 . 15855 1 319 . 1 1 34 34 LEU CG C 13 25.564 0.2 . 1 . . . . 31 L CG . 15855 1 320 . 1 1 34 34 LEU N N 15 120.600 0.1 . 1 . . . . 31 L N . 15855 1 321 . 1 1 35 35 SER H H 1 7.774 0.02 . 1 . . . . 32 S HN . 15855 1 322 . 1 1 35 35 SER HA H 1 4.237 0.02 . 1 . . . . 32 S HA . 15855 1 323 . 1 1 35 35 SER HB2 H 1 4.040 0.02 . 1 . . . . 32 S HB2 . 15855 1 324 . 1 1 35 35 SER HB3 H 1 4.040 0.02 . 1 . . . . 32 S HB3 . 15855 1 325 . 1 1 35 35 SER C C 13 176.141 0.2 . 1 . . . . 32 S C . 15855 1 326 . 1 1 35 35 SER CA C 13 62.169 0.2 . 1 . . . . 32 S CA . 15855 1 327 . 1 1 35 35 SER CB C 13 63.625 0.2 . 1 . . . . 32 S CB . 15855 1 328 . 1 1 35 35 SER N N 15 114.902 0.1 . 1 . . . . 32 S N . 15855 1 329 . 1 1 36 36 GLN H H 1 8.214 0.02 . 1 . . . . 33 Q HN . 15855 1 330 . 1 1 36 36 GLN HA H 1 4.327 0.02 . 1 . . . . 33 Q HA . 15855 1 331 . 1 1 36 36 GLN HB2 H 1 2.049 0.02 . 1 . . . . 33 Q HB2 . 15855 1 332 . 1 1 36 36 GLN HB3 H 1 2.049 0.02 . 1 . . . . 33 Q HB3 . 15855 1 333 . 1 1 36 36 GLN HE21 H 1 7.138 0.02 . 2 . . . . 33 Q HE21 . 15855 1 334 . 1 1 36 36 GLN HE22 H 1 6.132 0.02 . 2 . . . . 33 Q HE22 . 15855 1 335 . 1 1 36 36 GLN HG2 H 1 2.433 0.02 . 1 . . . . 33 Q HG2 . 15855 1 336 . 1 1 36 36 GLN HG3 H 1 2.433 0.02 . 1 . . . . 33 Q HG3 . 15855 1 337 . 1 1 36 36 GLN C C 13 174.588 0.2 . 1 . . . . 33 Q C . 15855 1 338 . 1 1 36 36 GLN CA C 13 56.398 0.2 . 1 . . . . 33 Q CA . 15855 1 339 . 1 1 36 36 GLN CB C 13 29.732 0.2 . 1 . . . . 33 Q CB . 15855 1 340 . 1 1 36 36 GLN CG C 13 34.732 0.2 . 1 . . . . 33 Q CG . 15855 1 341 . 1 1 36 36 GLN N N 15 117.061 0.1 . 1 . . . . 33 Q N . 15855 1 342 . 1 1 36 36 GLN NE2 N 15 110.020 0.1 . 1 . . . . 33 Q NE2 . 15855 1 343 . 1 1 37 37 ARG H H 1 7.925 0.02 . 1 . . . . 34 R HN . 15855 1 344 . 1 1 37 37 ARG HA H 1 3.967 0.02 . 1 . . . . 34 R HA . 15855 1 345 . 1 1 37 37 ARG HB2 H 1 1.636 0.02 . 1 . . . . 34 R HB2 . 15855 1 346 . 1 1 37 37 ARG HB3 H 1 1.636 0.02 . 1 . . . . 34 R HB3 . 15855 1 347 . 1 1 37 37 ARG HD2 H 1 3.284 0.02 . 1 . . . . 34 R HD2 . 15855 1 348 . 1 1 37 37 ARG HD3 H 1 3.284 0.02 . 1 . . . . 34 R HD3 . 15855 1 349 . 1 1 37 37 ARG HG2 H 1 1.694 0.02 . 1 . . . . 34 R HG2 . 15855 1 350 . 1 1 37 37 ARG HG3 H 1 1.694 0.02 . 1 . . . . 34 R HG3 . 15855 1 351 . 1 1 37 37 ARG C C 13 176.518 0.2 . 1 . . . . 34 R C . 15855 1 352 . 1 1 37 37 ARG CA C 13 58.057 0.2 . 1 . . . . 34 R CA . 15855 1 353 . 1 1 37 37 ARG CB C 13 26.850 0.2 . 1 . . . . 34 R CB . 15855 1 354 . 1 1 37 37 ARG CD C 13 43.830 0.2 . 1 . . . . 34 R CD . 15855 1 355 . 1 1 37 37 ARG CG C 13 27.969 0.2 . 1 . . . . 34 R CG . 15855 1 356 . 1 1 37 37 ARG N N 15 115.988 0.1 . 1 . . . . 34 R N . 15855 1 357 . 1 1 38 38 THR H H 1 8.636 0.02 . 1 . . . . 35 T HN . 15855 1 358 . 1 1 38 38 THR HA H 1 4.395 0.02 . 1 . . . . 35 T HA . 15855 1 359 . 1 1 38 38 THR HB H 1 4.842 0.02 . 1 . . . . 35 T HB . 15855 1 360 . 1 1 38 38 THR HG21 H 1 0.946 0.02 . 1 . . . . 35 T HG2 . 15855 1 361 . 1 1 38 38 THR HG22 H 1 0.946 0.02 . 1 . . . . 35 T HG2 . 15855 1 362 . 1 1 38 38 THR HG23 H 1 0.946 0.02 . 1 . . . . 35 T HG2 . 15855 1 363 . 1 1 38 38 THR C C 13 174.771 0.2 . 1 . . . . 35 T C . 15855 1 364 . 1 1 38 38 THR CA C 13 59.718 0.2 . 1 . . . . 35 T CA . 15855 1 365 . 1 1 38 38 THR CB C 13 68.470 0.2 . 1 . . . . 35 T CB . 15855 1 366 . 1 1 38 38 THR CG2 C 13 21.307 0.2 . 1 . . . . 35 T CG2 . 15855 1 367 . 1 1 38 38 THR N N 15 111.802 0.1 . 1 . . . . 35 T N . 15855 1 368 . 1 1 39 39 ILE H H 1 7.251 0.02 . 1 . . . . 36 I HN . 15855 1 369 . 1 1 39 39 ILE HA H 1 5.372 0.02 . 1 . . . . 36 I HA . 15855 1 370 . 1 1 39 39 ILE HB H 1 1.645 0.02 . 1 . . . . 36 I HB . 15855 1 371 . 1 1 39 39 ILE HD11 H 1 0.945 0.02 . 1 . . . . 36 I HD1 . 15855 1 372 . 1 1 39 39 ILE HD12 H 1 0.945 0.02 . 1 . . . . 36 I HD1 . 15855 1 373 . 1 1 39 39 ILE HD13 H 1 0.945 0.02 . 1 . . . . 36 I HD1 . 15855 1 374 . 1 1 39 39 ILE HG21 H 1 0.784 0.02 . 1 . . . . 36 I HG2 . 15855 1 375 . 1 1 39 39 ILE HG22 H 1 0.784 0.02 . 1 . . . . 36 I HG2 . 15855 1 376 . 1 1 39 39 ILE HG23 H 1 0.784 0.02 . 1 . . . . 36 I HG2 . 15855 1 377 . 1 1 39 39 ILE C C 13 174.490 0.2 . 1 . . . . 36 I C . 15855 1 378 . 1 1 39 39 ILE CA C 13 59.259 0.2 . 1 . . . . 36 I CA . 15855 1 379 . 1 1 39 39 ILE CB C 13 42.640 0.2 . 1 . . . . 36 I CB . 15855 1 380 . 1 1 39 39 ILE CD1 C 13 14.495 0.2 . 1 . . . . 36 I CD1 . 15855 1 381 . 1 1 39 39 ILE CG2 C 13 17.817 0.2 . 1 . . . . 36 I CG2 . 15855 1 382 . 1 1 39 39 ILE N N 15 118.576 0.1 . 1 . . . . 36 I N . 15855 1 383 . 1 1 40 40 THR H H 1 8.924 0.02 . 1 . . . . 37 T HN . 15855 1 384 . 1 1 40 40 THR HA H 1 4.525 0.02 . 1 . . . . 37 T HA . 15855 1 385 . 1 1 40 40 THR HB H 1 3.676 0.02 . 1 . . . . 37 T HB . 15855 1 386 . 1 1 40 40 THR HG21 H 1 1.089 0.02 . 1 . . . . 37 T HG2 . 15855 1 387 . 1 1 40 40 THR HG22 H 1 1.089 0.02 . 1 . . . . 37 T HG2 . 15855 1 388 . 1 1 40 40 THR HG23 H 1 1.089 0.02 . 1 . . . . 37 T HG2 . 15855 1 389 . 1 1 40 40 THR C C 13 172.968 0.2 . 1 . . . . 37 T C . 15855 1 390 . 1 1 40 40 THR CA C 13 63.496 0.2 . 1 . . . . 37 T CA . 15855 1 391 . 1 1 40 40 THR CB C 13 72.498 0.2 . 1 . . . . 37 T CB . 15855 1 392 . 1 1 40 40 THR CG2 C 13 21.425 0.2 . 1 . . . . 37 T CG2 . 15855 1 393 . 1 1 40 40 THR N N 15 124.638 0.1 . 1 . . . . 37 T N . 15855 1 394 . 1 1 41 41 VAL H H 1 8.907 0.02 . 1 . . . . 38 V HN . 15855 1 395 . 1 1 41 41 VAL HA H 1 4.592 0.02 . 1 . . . . 38 V HA . 15855 1 396 . 1 1 41 41 VAL HB H 1 2.108 0.02 . 1 . . . . 38 V HB . 15855 1 397 . 1 1 41 41 VAL HG11 H 1 0.980 0.02 . 2 . . . . 38 V HG1 . 15855 1 398 . 1 1 41 41 VAL HG12 H 1 0.980 0.02 . 2 . . . . 38 V HG1 . 15855 1 399 . 1 1 41 41 VAL HG13 H 1 0.980 0.02 . 2 . . . . 38 V HG1 . 15855 1 400 . 1 1 41 41 VAL HG21 H 1 1.003 0.02 . 2 . . . . 38 V HG2 . 15855 1 401 . 1 1 41 41 VAL HG22 H 1 1.003 0.02 . 2 . . . . 38 V HG2 . 15855 1 402 . 1 1 41 41 VAL HG23 H 1 1.003 0.02 . 2 . . . . 38 V HG2 . 15855 1 403 . 1 1 41 41 VAL C C 13 175.234 0.2 . 1 . . . . 38 V C . 15855 1 404 . 1 1 41 41 VAL CA C 13 63.072 0.2 . 1 . . . . 38 V CA . 15855 1 405 . 1 1 41 41 VAL CB C 13 35.179 0.2 . 1 . . . . 38 V CB . 15855 1 406 . 1 1 41 41 VAL CG1 C 13 21.692 0.2 . 2 . . . . 38 V CG1 . 15855 1 407 . 1 1 41 41 VAL CG2 C 13 23.011 0.2 . 2 . . . . 38 V CG2 . 15855 1 408 . 1 1 41 41 VAL N N 15 125.822 0.1 . 1 . . . . 38 V N . 15855 1 409 . 1 1 42 42 GLY H H 1 8.642 0.02 . 1 . . . . 39 G HN . 15855 1 410 . 1 1 42 42 GLY HA2 H 1 4.083 0.02 . 2 . . . . 39 G HA2 . 15855 1 411 . 1 1 42 42 GLY HA3 H 1 4.861 0.02 . 2 . . . . 39 G HA3 . 15855 1 412 . 1 1 42 42 GLY C C 13 177.285 0.2 . 1 . . . . 39 G C . 15855 1 413 . 1 1 42 42 GLY CA C 13 45.541 0.2 . 1 . . . . 39 G CA . 15855 1 414 . 1 1 42 42 GLY N N 15 116.094 0.1 . 1 . . . . 39 G N . 15855 1 415 . 1 1 43 43 VAL H H 1 9.174 0.02 . 1 . . . . 40 V HN . 15855 1 416 . 1 1 43 43 VAL HA H 1 4.146 0.02 . 1 . . . . 40 V HA . 15855 1 417 . 1 1 43 43 VAL HB H 1 1.745 0.02 . 1 . . . . 40 V HB . 15855 1 418 . 1 1 43 43 VAL HG11 H 1 0.342 0.02 . 2 . . . . 40 V HG1 . 15855 1 419 . 1 1 43 43 VAL HG12 H 1 0.342 0.02 . 2 . . . . 40 V HG1 . 15855 1 420 . 1 1 43 43 VAL HG13 H 1 0.342 0.02 . 2 . . . . 40 V HG1 . 15855 1 421 . 1 1 43 43 VAL C C 13 177.930 0.2 . 1 . . . . 40 V C . 15855 1 422 . 1 1 43 43 VAL CG1 C 13 20.200 0.2 . 2 . . . . 40 V CG1 . 15855 1 423 . 1 1 43 43 VAL N N 15 120.231 0.1 . 1 . . . . 40 V N . 15855 1 424 . 1 1 44 44 TYR H H 1 7.776 0.02 . 1 . . . . 41 Y HN . 15855 1 425 . 1 1 44 44 TYR HA H 1 4.155 0.02 . 1 . . . . 41 Y HA . 15855 1 426 . 1 1 44 44 TYR HB2 H 1 2.963 0.02 . 2 . . . . 41 Y HB2 . 15855 1 427 . 1 1 44 44 TYR HB3 H 1 3.066 0.02 . 2 . . . . 41 Y HB3 . 15855 1 428 . 1 1 44 44 TYR HD1 H 1 7.099 0.02 . 3 . . . . 41 Y HD1 . 15855 1 429 . 1 1 44 44 TYR HE1 H 1 6.704 0.02 . 3 . . . . 41 Y HE1 . 15855 1 430 . 1 1 44 44 TYR CD1 C 13 133.152 0.2 . 3 . . . . 41 Y CD1 . 15855 1 431 . 1 1 44 44 TYR CE1 C 13 118.164 0.2 . 3 . . . . 41 Y CE1 . 15855 1 432 . 1 1 44 44 TYR N N 15 120.375 0.1 . 1 . . . . 41 Y N . 15855 1 433 . 1 1 46 46 ALA HB1 H 1 1.375 0.02 . 1 . . . . 43 A HB . 15855 1 434 . 1 1 46 46 ALA HB2 H 1 1.375 0.02 . 1 . . . . 43 A HB . 15855 1 435 . 1 1 46 46 ALA HB3 H 1 1.375 0.02 . 1 . . . . 43 A HB . 15855 1 436 . 1 1 46 46 ALA C C 13 178.586 0.2 . 1 . . . . 43 A C . 15855 1 437 . 1 1 46 46 ALA CA C 13 56.068 0.2 . 1 . . . . 43 A CA . 15855 1 438 . 1 1 46 46 ALA CB C 13 20.036 0.2 . 1 . . . . 43 A CB . 15855 1 439 . 1 1 47 47 ALA H H 1 7.921 0.02 . 1 . . . . 44 A HN . 15855 1 440 . 1 1 47 47 ALA HA H 1 3.736 0.02 . 1 . . . . 44 A HA . 15855 1 441 . 1 1 47 47 ALA HB1 H 1 1.500 0.02 . 1 . . . . 44 A HB . 15855 1 442 . 1 1 47 47 ALA HB2 H 1 1.500 0.02 . 1 . . . . 44 A HB . 15855 1 443 . 1 1 47 47 ALA HB3 H 1 1.500 0.02 . 1 . . . . 44 A HB . 15855 1 444 . 1 1 47 47 ALA C C 13 179.594 0.2 . 1 . . . . 44 A C . 15855 1 445 . 1 1 47 47 ALA CA C 13 56.087 0.2 . 1 . . . . 44 A CA . 15855 1 446 . 1 1 47 47 ALA CB C 13 18.433 0.2 . 1 . . . . 44 A CB . 15855 1 447 . 1 1 47 47 ALA N N 15 118.474 0.1 . 1 . . . . 44 A N . 15855 1 448 . 1 1 48 48 LYS H H 1 7.295 0.02 . 1 . . . . 45 K HN . 15855 1 449 . 1 1 48 48 LYS HA H 1 3.964 0.02 . 1 . . . . 45 K HA . 15855 1 450 . 1 1 48 48 LYS HB2 H 1 1.798 0.02 . 1 . . . . 45 K HB2 . 15855 1 451 . 1 1 48 48 LYS HB3 H 1 1.798 0.02 . 1 . . . . 45 K HB3 . 15855 1 452 . 1 1 48 48 LYS HG2 H 1 1.343 0.02 . 1 . . . . 45 K HG2 . 15855 1 453 . 1 1 48 48 LYS HG3 H 1 1.343 0.02 . 1 . . . . 45 K HG3 . 15855 1 454 . 1 1 48 48 LYS C C 13 178.497 0.2 . 1 . . . . 45 K C . 15855 1 455 . 1 1 48 48 LYS CA C 13 59.720 0.2 . 1 . . . . 45 K CA . 15855 1 456 . 1 1 48 48 LYS CB C 13 32.925 0.2 . 1 . . . . 45 K CB . 15855 1 457 . 1 1 48 48 LYS CG C 13 25.504 0.2 . 1 . . . . 45 K CG . 15855 1 458 . 1 1 48 48 LYS N N 15 116.193 0.1 . 1 . . . . 45 K N . 15855 1 459 . 1 1 49 49 LEU H H 1 7.595 0.02 . 1 . . . . 46 L HN . 15855 1 460 . 1 1 49 49 LEU HA H 1 4.057 0.02 . 1 . . . . 46 L HA . 15855 1 461 . 1 1 49 49 LEU HB2 H 1 1.575 0.02 . 1 . . . . 46 L HB2 . 15855 1 462 . 1 1 49 49 LEU HB3 H 1 1.575 0.02 . 1 . . . . 46 L HB3 . 15855 1 463 . 1 1 49 49 LEU HD11 H 1 0.855 0.02 . 1 . . . . 46 L HD1 . 15855 1 464 . 1 1 49 49 LEU HD12 H 1 0.855 0.02 . 1 . . . . 46 L HD1 . 15855 1 465 . 1 1 49 49 LEU HD13 H 1 0.855 0.02 . 1 . . . . 46 L HD1 . 15855 1 466 . 1 1 49 49 LEU HD21 H 1 0.960 0.02 . 1 . . . . 46 L HD2 . 15855 1 467 . 1 1 49 49 LEU HD22 H 1 0.960 0.02 . 1 . . . . 46 L HD2 . 15855 1 468 . 1 1 49 49 LEU HD23 H 1 0.960 0.02 . 1 . . . . 46 L HD2 . 15855 1 469 . 1 1 49 49 LEU HG H 1 1.516 0.02 . 1 . . . . 46 L HG . 15855 1 470 . 1 1 49 49 LEU C C 13 179.292 0.2 . 1 . . . . 46 L C . 15855 1 471 . 1 1 49 49 LEU CA C 13 58.927 0.2 . 1 . . . . 46 L CA . 15855 1 472 . 1 1 49 49 LEU CB C 13 42.187 0.2 . 1 . . . . 46 L CB . 15855 1 473 . 1 1 49 49 LEU CD2 C 13 21.848 0.2 . 2 . . . . 46 L CD2 . 15855 1 474 . 1 1 49 49 LEU CG C 13 27.886 0.2 . 1 . . . . 46 L CG . 15855 1 475 . 1 1 49 49 LEU N N 15 120.331 0.1 . 1 . . . . 46 L N . 15855 1 476 . 1 1 50 50 LEU C C 13 175.848 0.2 . 1 . . . . 47 L C . 15855 1 477 . 1 1 50 50 LEU CA C 13 58.180 0.2 . 1 . . . . 47 L CA . 15855 1 478 . 1 1 50 50 LEU CB C 13 42.044 0.2 . 1 . . . . 47 L CB . 15855 1 479 . 1 1 50 50 LEU CG C 13 27.757 0.2 . 1 . . . . 47 L CG . 15855 1 480 . 1 1 51 51 ASN H H 1 6.903 0.02 . 1 . . . . 48 N HN . 15855 1 481 . 1 1 51 51 ASN HA H 1 4.291 0.02 . 1 . . . . 48 N HA . 15855 1 482 . 1 1 51 51 ASN HB2 H 1 2.687 0.02 . 1 . . . . 48 N HB2 . 15855 1 483 . 1 1 51 51 ASN HB3 H 1 2.687 0.02 . 1 . . . . 48 N HB3 . 15855 1 484 . 1 1 51 51 ASN HD21 H 1 7.378 0.02 . 2 . . . . 48 N HD21 . 15855 1 485 . 1 1 51 51 ASN HD22 H 1 6.704 0.02 . 2 . . . . 48 N HD22 . 15855 1 486 . 1 1 51 51 ASN C C 13 176.082 0.2 . 1 . . . . 48 N C . 15855 1 487 . 1 1 51 51 ASN CA C 13 55.480 0.2 . 1 . . . . 48 N CA . 15855 1 488 . 1 1 51 51 ASN CB C 13 40.622 0.2 . 1 . . . . 48 N CB . 15855 1 489 . 1 1 51 51 ASN N N 15 110.985 0.1 . 1 . . . . 48 N N . 15855 1 490 . 1 1 51 51 ASN ND2 N 15 112.657 0.1 . 1 . . . . 48 N ND2 . 15855 1 491 . 1 1 52 52 VAL H H 1 7.624 0.02 . 1 . . . . 49 V HN . 15855 1 492 . 1 1 52 52 VAL HA H 1 4.184 0.02 . 1 . . . . 49 V HA . 15855 1 493 . 1 1 52 52 VAL HB H 1 2.055 0.02 . 1 . . . . 49 V HB . 15855 1 494 . 1 1 52 52 VAL HG11 H 1 0.988 0.02 . 1 . . . . 49 V HG1 . 15855 1 495 . 1 1 52 52 VAL HG12 H 1 0.988 0.02 . 1 . . . . 49 V HG1 . 15855 1 496 . 1 1 52 52 VAL HG13 H 1 0.988 0.02 . 1 . . . . 49 V HG1 . 15855 1 497 . 1 1 52 52 VAL HG21 H 1 0.988 0.02 . 1 . . . . 49 V HG2 . 15855 1 498 . 1 1 52 52 VAL HG22 H 1 0.988 0.02 . 1 . . . . 49 V HG2 . 15855 1 499 . 1 1 52 52 VAL HG23 H 1 0.988 0.02 . 1 . . . . 49 V HG2 . 15855 1 500 . 1 1 52 52 VAL C C 13 175.725 0.2 . 1 . . . . 49 V C . 15855 1 501 . 1 1 52 52 VAL CA C 13 64.335 0.2 . 1 . . . . 49 V CA . 15855 1 502 . 1 1 52 52 VAL CB C 13 34.016 0.2 . 1 . . . . 49 V CB . 15855 1 503 . 1 1 52 52 VAL CG1 C 13 21.729 0.2 . 1 . . . . 49 V CG1 . 15855 1 504 . 1 1 52 52 VAL CG2 C 13 21.729 0.2 . 1 . . . . 49 V CG2 . 15855 1 505 . 1 1 52 52 VAL N N 15 115.528 0.1 . 1 . . . . 49 V N . 15855 1 506 . 1 1 53 53 ASP H H 1 8.681 0.02 . 1 . . . . 50 D HN . 15855 1 507 . 1 1 53 53 ASP HA H 1 5.184 0.02 . 1 . . . . 50 D HA . 15855 1 508 . 1 1 53 53 ASP HB2 H 1 2.334 0.02 . 1 . . . . 50 D HB2 . 15855 1 509 . 1 1 53 53 ASP HB3 H 1 2.334 0.02 . 1 . . . . 50 D HB3 . 15855 1 510 . 1 1 53 53 ASP C C 13 180.343 0.2 . 1 . . . . 50 D C . 15855 1 511 . 1 1 53 53 ASP CA C 13 53.028 0.2 . 1 . . . . 50 D CA . 15855 1 512 . 1 1 53 53 ASP CB C 13 41.967 0.2 . 1 . . . . 50 D CB . 15855 1 513 . 1 1 53 53 ASP N N 15 119.568 0.1 . 1 . . . . 50 D N . 15855 1 514 . 1 1 54 54 PRO HA H 1 4.144 0.02 . 1 . . . . 51 P HA . 15855 1 515 . 1 1 54 54 PRO HB2 H 1 2.134 0.02 . 1 . . . . 51 P HB2 . 15855 1 516 . 1 1 54 54 PRO HB3 H 1 2.134 0.02 . 1 . . . . 51 P HB3 . 15855 1 517 . 1 1 54 54 PRO HD2 H 1 3.361 0.02 . 2 . . . . 51 P HD2 . 15855 1 518 . 1 1 54 54 PRO HD3 H 1 3.716 0.02 . 2 . . . . 51 P HD3 . 15855 1 519 . 1 1 54 54 PRO HG2 H 1 2.004 0.02 . 1 . . . . 51 P HG2 . 15855 1 520 . 1 1 54 54 PRO HG3 H 1 2.004 0.02 . 1 . . . . 51 P HG3 . 15855 1 521 . 1 1 54 54 PRO C C 13 178.299 0.2 . 1 . . . . 51 P C . 15855 1 522 . 1 1 54 54 PRO CA C 13 65.676 0.2 . 1 . . . . 51 P CA . 15855 1 523 . 1 1 54 54 PRO CB C 13 32.407 0.2 . 1 . . . . 51 P CB . 15855 1 524 . 1 1 54 54 PRO CD C 13 50.743 0.2 . 1 . . . . 51 P CD . 15855 1 525 . 1 1 54 54 PRO CG C 13 25.542 0.2 . 1 . . . . 51 P CG . 15855 1 526 . 1 1 55 55 ASP H H 1 8.225 0.02 . 1 . . . . 52 D HN . 15855 1 527 . 1 1 55 55 ASP HA H 1 4.427 0.02 . 1 . . . . 52 D HA . 15855 1 528 . 1 1 55 55 ASP HB2 H 1 2.669 0.02 . 2 . . . . 52 D HB2 . 15855 1 529 . 1 1 55 55 ASP HB3 H 1 2.709 0.02 . 2 . . . . 52 D HB3 . 15855 1 530 . 1 1 55 55 ASP C C 13 176.804 0.2 . 1 . . . . 52 D C . 15855 1 531 . 1 1 55 55 ASP CA C 13 57.037 0.2 . 1 . . . . 52 D CA . 15855 1 532 . 1 1 55 55 ASP CB C 13 41.047 0.2 . 1 . . . . 52 D CB . 15855 1 533 . 1 1 55 55 ASP N N 15 116.328 0.1 . 1 . . . . 52 D N . 15855 1 534 . 1 1 56 56 ASN H H 1 7.547 0.02 . 1 . . . . 53 N HN . 15855 1 535 . 1 1 56 56 ASN HA H 1 4.970 0.02 . 1 . . . . 53 N HA . 15855 1 536 . 1 1 56 56 ASN HB2 H 1 2.713 0.02 . 2 . . . . 53 N HB2 . 15855 1 537 . 1 1 56 56 ASN HB3 H 1 3.006 0.02 . 2 . . . . 53 N HB3 . 15855 1 538 . 1 1 56 56 ASN C C 13 174.150 0.2 . 1 . . . . 53 N C . 15855 1 539 . 1 1 56 56 ASN CA C 13 53.687 0.2 . 1 . . . . 53 N CA . 15855 1 540 . 1 1 56 56 ASN CB C 13 40.624 0.2 . 1 . . . . 53 N CB . 15855 1 541 . 1 1 56 56 ASN N N 15 114.974 0.1 . 1 . . . . 53 N N . 15855 1 542 . 1 1 57 57 VAL H H 1 7.540 0.02 . 1 . . . . 54 V HN . 15855 1 543 . 1 1 57 57 VAL HA H 1 3.920 0.02 . 1 . . . . 54 V HA . 15855 1 544 . 1 1 57 57 VAL HB H 1 2.369 0.02 . 1 . . . . 54 V HB . 15855 1 545 . 1 1 57 57 VAL HG11 H 1 0.837 0.02 . 2 . . . . 54 V HG1 . 15855 1 546 . 1 1 57 57 VAL HG12 H 1 0.837 0.02 . 2 . . . . 54 V HG1 . 15855 1 547 . 1 1 57 57 VAL HG13 H 1 0.837 0.02 . 2 . . . . 54 V HG1 . 15855 1 548 . 1 1 57 57 VAL HG21 H 1 0.868 0.02 . 2 . . . . 54 V HG2 . 15855 1 549 . 1 1 57 57 VAL HG22 H 1 0.868 0.02 . 2 . . . . 54 V HG2 . 15855 1 550 . 1 1 57 57 VAL HG23 H 1 0.868 0.02 . 2 . . . . 54 V HG2 . 15855 1 551 . 1 1 57 57 VAL C C 13 175.055 0.2 . 1 . . . . 54 V C . 15855 1 552 . 1 1 57 57 VAL CA C 13 63.988 0.2 . 1 . . . . 54 V CA . 15855 1 553 . 1 1 57 57 VAL CB C 13 32.849 0.2 . 1 . . . . 54 V CB . 15855 1 554 . 1 1 57 57 VAL CG1 C 13 24.251 0.2 . 2 . . . . 54 V CG1 . 15855 1 555 . 1 1 57 57 VAL CG2 C 13 22.963 0.2 . 2 . . . . 54 V CG2 . 15855 1 556 . 1 1 57 57 VAL N N 15 119.501 0.1 . 1 . . . . 54 V N . 15855 1 557 . 1 1 58 58 VAL H H 1 8.772 0.02 . 1 . . . . 55 V HN . 15855 1 558 . 1 1 58 58 VAL HA H 1 4.302 0.02 . 1 . . . . 55 V HA . 15855 1 559 . 1 1 58 58 VAL HB H 1 1.967 0.02 . 1 . . . . 55 V HB . 15855 1 560 . 1 1 58 58 VAL HG11 H 1 0.584 0.02 . 2 . . . . 55 V HG1 . 15855 1 561 . 1 1 58 58 VAL HG12 H 1 0.584 0.02 . 2 . . . . 55 V HG1 . 15855 1 562 . 1 1 58 58 VAL HG13 H 1 0.584 0.02 . 2 . . . . 55 V HG1 . 15855 1 563 . 1 1 58 58 VAL HG21 H 1 0.797 0.02 . 2 . . . . 55 V HG2 . 15855 1 564 . 1 1 58 58 VAL HG22 H 1 0.797 0.02 . 2 . . . . 55 V HG2 . 15855 1 565 . 1 1 58 58 VAL HG23 H 1 0.797 0.02 . 2 . . . . 55 V HG2 . 15855 1 566 . 1 1 58 58 VAL C C 13 175.174 0.2 . 1 . . . . 55 V C . 15855 1 567 . 1 1 58 58 VAL CA C 13 62.584 0.2 . 1 . . . . 55 V CA . 15855 1 568 . 1 1 58 58 VAL CB C 13 33.500 0.2 . 1 . . . . 55 V CB . 15855 1 569 . 1 1 58 58 VAL CG1 C 13 21.262 0.2 . 2 . . . . 55 V CG1 . 15855 1 570 . 1 1 58 58 VAL CG2 C 13 22.456 0.2 . 2 . . . . 55 V CG2 . 15855 1 571 . 1 1 58 58 VAL N N 15 123.154 0.1 . 1 . . . . 55 V N . 15855 1 572 . 1 1 59 59 LEU H H 1 7.403 0.02 . 1 . . . . 56 L HN . 15855 1 573 . 1 1 59 59 LEU HA H 1 4.644 0.02 . 1 . . . . 56 L HA . 15855 1 574 . 1 1 59 59 LEU HB2 H 1 1.265 0.02 . 1 . . . . 56 L HB2 . 15855 1 575 . 1 1 59 59 LEU HB3 H 1 1.265 0.02 . 1 . . . . 56 L HB3 . 15855 1 576 . 1 1 59 59 LEU HD11 H 1 0.664 0.02 . 2 . . . . 56 L HD1 . 15855 1 577 . 1 1 59 59 LEU HD12 H 1 0.664 0.02 . 2 . . . . 56 L HD1 . 15855 1 578 . 1 1 59 59 LEU HD13 H 1 0.664 0.02 . 2 . . . . 56 L HD1 . 15855 1 579 . 1 1 59 59 LEU HD21 H 1 0.841 0.02 . 2 . . . . 56 L HD2 . 15855 1 580 . 1 1 59 59 LEU HD22 H 1 0.841 0.02 . 2 . . . . 56 L HD2 . 15855 1 581 . 1 1 59 59 LEU HD23 H 1 0.841 0.02 . 2 . . . . 56 L HD2 . 15855 1 582 . 1 1 59 59 LEU HG H 1 1.614 0.02 . 1 . . . . 56 L HG . 15855 1 583 . 1 1 59 59 LEU C C 13 173.121 0.2 . 1 . . . . 56 L C . 15855 1 584 . 1 1 59 59 LEU CA C 13 55.300 0.2 . 1 . . . . 56 L CA . 15855 1 585 . 1 1 59 59 LEU CB C 13 47.711 0.2 . 1 . . . . 56 L CB . 15855 1 586 . 1 1 59 59 LEU CD1 C 13 21.043 0.2 . 2 . . . . 56 L CD1 . 15855 1 587 . 1 1 59 59 LEU CD2 C 13 24.130 0.2 . 2 . . . . 56 L CD2 . 15855 1 588 . 1 1 59 59 LEU CG C 13 27.161 0.2 . 1 . . . . 56 L CG . 15855 1 589 . 1 1 59 59 LEU N N 15 118.468 0.1 . 1 . . . . 56 L N . 15855 1 590 . 1 1 60 60 CYS H H 1 8.783 0.02 . 1 . . . . 57 C HN . 15855 1 591 . 1 1 60 60 CYS HA H 1 4.954 0.02 . 1 . . . . 57 C HA . 15855 1 592 . 1 1 60 60 CYS HB2 H 1 2.265 0.02 . 2 . . . . 57 C HB2 . 15855 1 593 . 1 1 60 60 CYS HB3 H 1 2.731 0.02 . 2 . . . . 57 C HB3 . 15855 1 594 . 1 1 60 60 CYS C C 13 171.492 0.2 . 1 . . . . 57 C C . 15855 1 595 . 1 1 60 60 CYS CA C 13 57.147 0.2 . 1 . . . . 57 C CA . 15855 1 596 . 1 1 60 60 CYS CB C 13 30.121 0.2 . 1 . . . . 57 C CB . 15855 1 597 . 1 1 60 60 CYS N N 15 125.618 0.1 . 1 . . . . 57 C N . 15855 1 598 . 1 1 61 61 LEU H H 1 9.369 0.02 . 1 . . . . 58 L HN . 15855 1 599 . 1 1 61 61 LEU HA H 1 5.356 0.02 . 1 . . . . 58 L HA . 15855 1 600 . 1 1 61 61 LEU HB2 H 1 1.323 0.02 . 1 . . . . 58 L HB2 . 15855 1 601 . 1 1 61 61 LEU HB3 H 1 1.323 0.02 . 1 . . . . 58 L HB3 . 15855 1 602 . 1 1 61 61 LEU HD11 H 1 0.749 0.02 . 2 . . . . 58 L HD1 . 15855 1 603 . 1 1 61 61 LEU HD12 H 1 0.749 0.02 . 2 . . . . 58 L HD1 . 15855 1 604 . 1 1 61 61 LEU HD13 H 1 0.749 0.02 . 2 . . . . 58 L HD1 . 15855 1 605 . 1 1 61 61 LEU HD21 H 1 0.888 0.02 . 2 . . . . 58 L HD2 . 15855 1 606 . 1 1 61 61 LEU HD22 H 1 0.888 0.02 . 2 . . . . 58 L HD2 . 15855 1 607 . 1 1 61 61 LEU HD23 H 1 0.888 0.02 . 2 . . . . 58 L HD2 . 15855 1 608 . 1 1 61 61 LEU HG H 1 1.645 0.02 . 1 . . . . 58 L HG . 15855 1 609 . 1 1 61 61 LEU C C 13 175.613 0.2 . 1 . . . . 58 L C . 15855 1 610 . 1 1 61 61 LEU CA C 13 53.131 0.2 . 1 . . . . 58 L CA . 15855 1 611 . 1 1 61 61 LEU CB C 13 44.661 0.2 . 1 . . . . 58 L CB . 15855 1 612 . 1 1 61 61 LEU CD1 C 13 26.965 0.2 . 2 . . . . 58 L CD1 . 15855 1 613 . 1 1 61 61 LEU CG C 13 25.425 0.2 . 1 . . . . 58 L CG . 15855 1 614 . 1 1 61 61 LEU N N 15 128.076 0.1 . 1 . . . . 58 L N . 15855 1 615 . 1 1 62 62 LEU H H 1 8.714 0.02 . 1 . . . . 59 L HN . 15855 1 616 . 1 1 62 62 LEU HA H 1 4.984 0.02 . 1 . . . . 59 L HA . 15855 1 617 . 1 1 62 62 LEU HB2 H 1 1.360 0.02 . 2 . . . . 59 L HB2 . 15855 1 618 . 1 1 62 62 LEU HB3 H 1 1.447 0.02 . 2 . . . . 59 L HB3 . 15855 1 619 . 1 1 62 62 LEU HD11 H 1 0.427 0.02 . 2 . . . . 59 L HD1 . 15855 1 620 . 1 1 62 62 LEU HD12 H 1 0.427 0.02 . 2 . . . . 59 L HD1 . 15855 1 621 . 1 1 62 62 LEU HD13 H 1 0.427 0.02 . 2 . . . . 59 L HD1 . 15855 1 622 . 1 1 62 62 LEU HD21 H 1 0.499 0.02 . 2 . . . . 59 L HD2 . 15855 1 623 . 1 1 62 62 LEU HD22 H 1 0.499 0.02 . 2 . . . . 59 L HD2 . 15855 1 624 . 1 1 62 62 LEU HD23 H 1 0.499 0.02 . 2 . . . . 59 L HD2 . 15855 1 625 . 1 1 62 62 LEU C C 13 176.012 0.2 . 1 . . . . 59 L C . 15855 1 626 . 1 1 62 62 LEU CA C 13 53.440 0.2 . 1 . . . . 59 L CA . 15855 1 627 . 1 1 62 62 LEU CB C 13 43.935 0.2 . 1 . . . . 59 L CB . 15855 1 628 . 1 1 62 62 LEU CD1 C 13 26.197 0.2 . 2 . . . . 59 L CD1 . 15855 1 629 . 1 1 62 62 LEU CD2 C 13 22.720 0.2 . 2 . . . . 59 L CD2 . 15855 1 630 . 1 1 62 62 LEU N N 15 121.706 0.1 . 1 . . . . 59 L N . 15855 1 631 . 1 1 63 63 ALA H H 1 8.510 0.02 . 1 . . . . 60 A HN . 15855 1 632 . 1 1 63 63 ALA HA H 1 4.869 0.02 . 1 . . . . 60 A HA . 15855 1 633 . 1 1 63 63 ALA HB1 H 1 1.301 0.02 . 1 . . . . 60 A HB . 15855 1 634 . 1 1 63 63 ALA HB2 H 1 1.301 0.02 . 1 . . . . 60 A HB . 15855 1 635 . 1 1 63 63 ALA HB3 H 1 1.301 0.02 . 1 . . . . 60 A HB . 15855 1 636 . 1 1 63 63 ALA C C 13 174.821 0.2 . 1 . . . . 60 A C . 15855 1 637 . 1 1 63 63 ALA CA C 13 52.192 0.2 . 1 . . . . 60 A CA . 15855 1 638 . 1 1 63 63 ALA CB C 13 22.306 0.2 . 1 . . . . 60 A CB . 15855 1 639 . 1 1 63 63 ALA N N 15 124.765 0.1 . 1 . . . . 60 A N . 15855 1 640 . 1 1 64 64 ALA H H 1 8.440 0.02 . 1 . . . . 61 A HN . 15855 1 641 . 1 1 64 64 ALA HA H 1 4.406 0.02 . 1 . . . . 61 A HA . 15855 1 642 . 1 1 64 64 ALA HB1 H 1 1.543 0.02 . 1 . . . . 61 A HB . 15855 1 643 . 1 1 64 64 ALA HB2 H 1 1.543 0.02 . 1 . . . . 61 A HB . 15855 1 644 . 1 1 64 64 ALA HB3 H 1 1.543 0.02 . 1 . . . . 61 A HB . 15855 1 645 . 1 1 64 64 ALA C C 13 175.926 0.2 . 1 . . . . 61 A C . 15855 1 646 . 1 1 64 64 ALA CA C 13 52.414 0.2 . 1 . . . . 61 A CA . 15855 1 647 . 1 1 64 64 ALA CB C 13 22.337 0.2 . 1 . . . . 61 A CB . 15855 1 648 . 1 1 64 64 ALA N N 15 123.314 0.1 . 1 . . . . 61 A N . 15855 1 649 . 1 1 65 65 ASP H H 1 9.210 0.02 . 1 . . . . 62 D HN . 15855 1 650 . 1 1 65 65 ASP HA H 1 4.858 0.02 . 1 . . . . 62 D HA . 15855 1 651 . 1 1 65 65 ASP HB2 H 1 2.711 0.02 . 2 . . . . 62 D HB2 . 15855 1 652 . 1 1 65 65 ASP HB3 H 1 3.050 0.02 . 2 . . . . 62 D HB3 . 15855 1 653 . 1 1 65 65 ASP C C 13 176.567 0.2 . 1 . . . . 62 D C . 15855 1 654 . 1 1 65 65 ASP CA C 13 53.022 0.2 . 1 . . . . 62 D CA . 15855 1 655 . 1 1 65 65 ASP CB C 13 42.537 0.2 . 1 . . . . 62 D CB . 15855 1 656 . 1 1 65 65 ASP N N 15 123.284 0.1 . 1 . . . . 62 D N . 15855 1 657 . 1 1 66 66 GLU H H 1 8.643 0.02 . 1 . . . . 63 E HN . 15855 1 658 . 1 1 66 66 GLU HA H 1 4.118 0.02 . 1 . . . . 63 E HA . 15855 1 659 . 1 1 66 66 GLU HB2 H 1 2.045 0.02 . 1 . . . . 63 E HB2 . 15855 1 660 . 1 1 66 66 GLU HB3 H 1 2.045 0.02 . 1 . . . . 63 E HB3 . 15855 1 661 . 1 1 66 66 GLU HG2 H 1 2.297 0.02 . 2 . . . . 63 E HG2 . 15855 1 662 . 1 1 66 66 GLU HG3 H 1 2.297 0.02 . 2 . . . . 63 E HG3 . 15855 1 663 . 1 1 66 66 GLU C C 13 177.969 0.2 . 1 . . . . 63 E C . 15855 1 664 . 1 1 66 66 GLU CA C 13 59.967 0.2 . 1 . . . . 63 E CA . 15855 1 665 . 1 1 66 66 GLU CB C 13 30.036 0.2 . 1 . . . . 63 E CB . 15855 1 666 . 1 1 66 66 GLU CG C 13 37.221 0.2 . 1 . . . . 63 E CG . 15855 1 667 . 1 1 66 66 GLU N N 15 118.889 0.1 . 1 . . . . 63 E N . 15855 1 668 . 1 1 67 67 ASP H H 1 8.195 0.02 . 1 . . . . 64 D HN . 15855 1 669 . 1 1 67 67 ASP HA H 1 4.507 0.02 . 1 . . . . 64 D HA . 15855 1 670 . 1 1 67 67 ASP HB2 H 1 2.667 0.02 . 2 . . . . 64 D HB2 . 15855 1 671 . 1 1 67 67 ASP HB3 H 1 2.740 0.02 . 2 . . . . 64 D HB3 . 15855 1 672 . 1 1 67 67 ASP C C 13 178.092 0.2 . 1 . . . . 64 D C . 15855 1 673 . 1 1 67 67 ASP CA C 13 56.115 0.2 . 1 . . . . 64 D CA . 15855 1 674 . 1 1 67 67 ASP CB C 13 41.208 0.2 . 1 . . . . 64 D CB . 15855 1 675 . 1 1 67 67 ASP N N 15 119.096 0.1 . 1 . . . . 64 D N . 15855 1 676 . 1 1 68 68 ASP H H 1 8.264 0.02 . 1 . . . . 65 D HN . 15855 1 677 . 1 1 68 68 ASP HA H 1 4.416 0.02 . 1 . . . . 65 D HA . 15855 1 678 . 1 1 68 68 ASP HB2 H 1 2.655 0.02 . 2 . . . . 65 D HB2 . 15855 1 679 . 1 1 68 68 ASP HB3 H 1 2.969 0.02 . 2 . . . . 65 D HB3 . 15855 1 680 . 1 1 68 68 ASP C C 13 177.735 0.2 . 1 . . . . 65 D C . 15855 1 681 . 1 1 68 68 ASP CA C 13 56.562 0.2 . 1 . . . . 65 D CA . 15855 1 682 . 1 1 68 68 ASP CB C 13 41.544 0.2 . 1 . . . . 65 D CB . 15855 1 683 . 1 1 68 68 ASP N N 15 121.877 0.1 . 1 . . . . 65 D N . 15855 1 684 . 1 1 69 69 ASP H H 1 8.053 0.02 . 1 . . . . 66 D HN . 15855 1 685 . 1 1 69 69 ASP HA H 1 4.488 0.02 . 1 . . . . 66 D HA . 15855 1 686 . 1 1 69 69 ASP HB2 H 1 2.590 0.02 . 2 . . . . 66 D HB2 . 15855 1 687 . 1 1 69 69 ASP HB3 H 1 2.757 0.02 . 2 . . . . 66 D HB3 . 15855 1 688 . 1 1 69 69 ASP C C 13 176.730 0.2 . 1 . . . . 66 D C . 15855 1 689 . 1 1 69 69 ASP CA C 13 56.940 0.2 . 1 . . . . 66 D CA . 15855 1 690 . 1 1 69 69 ASP CB C 13 41.676 0.2 . 1 . . . . 66 D CB . 15855 1 691 . 1 1 69 69 ASP N N 15 119.496 0.1 . 1 . . . . 66 D N . 15855 1 692 . 1 1 70 70 ARG H H 1 7.465 0.02 . 1 . . . . 67 R HN . 15855 1 693 . 1 1 70 70 ARG HA H 1 4.286 0.02 . 1 . . . . 67 R HA . 15855 1 694 . 1 1 70 70 ARG HB2 H 1 1.838 0.02 . 2 . . . . 67 R HB2 . 15855 1 695 . 1 1 70 70 ARG HB3 H 1 1.973 0.02 . 2 . . . . 67 R HB3 . 15855 1 696 . 1 1 70 70 ARG HD2 H 1 3.189 0.02 . 1 . . . . 67 R HD2 . 15855 1 697 . 1 1 70 70 ARG HD3 H 1 3.189 0.02 . 1 . . . . 67 R HD3 . 15855 1 698 . 1 1 70 70 ARG HG2 H 1 1.678 0.02 . 1 . . . . 67 R HG2 . 15855 1 699 . 1 1 70 70 ARG HG3 H 1 1.678 0.02 . 1 . . . . 67 R HG3 . 15855 1 700 . 1 1 70 70 ARG C C 13 175.771 0.2 . 1 . . . . 67 R C . 15855 1 701 . 1 1 70 70 ARG CA C 13 56.663 0.2 . 1 . . . . 67 R CA . 15855 1 702 . 1 1 70 70 ARG CB C 13 31.400 0.2 . 1 . . . . 67 R CB . 15855 1 703 . 1 1 70 70 ARG CD C 13 43.963 0.2 . 1 . . . . 67 R CD . 15855 1 704 . 1 1 70 70 ARG CG C 13 28.115 0.2 . 1 . . . . 67 R CG . 15855 1 705 . 1 1 70 70 ARG N N 15 116.079 0.1 . 1 . . . . 67 R N . 15855 1 706 . 1 1 71 71 ASP H H 1 7.707 0.02 . 1 . . . . 68 D HN . 15855 1 707 . 1 1 71 71 ASP HA H 1 4.566 0.02 . 1 . . . . 68 D HA . 15855 1 708 . 1 1 71 71 ASP HB2 H 1 2.621 0.02 . 2 . . . . 68 D HB2 . 15855 1 709 . 1 1 71 71 ASP HB3 H 1 3.113 0.02 . 2 . . . . 68 D HB3 . 15855 1 710 . 1 1 71 71 ASP C C 13 176.130 0.2 . 1 . . . . 68 D C . 15855 1 711 . 1 1 71 71 ASP CA C 13 54.603 0.2 . 1 . . . . 68 D CA . 15855 1 712 . 1 1 71 71 ASP CB C 13 41.875 0.2 . 1 . . . . 68 D CB . 15855 1 713 . 1 1 71 71 ASP N N 15 121.677 0.1 . 1 . . . . 68 D N . 15855 1 714 . 1 1 72 72 VAL H H 1 8.255 0.02 . 1 . . . . 69 V HN . 15855 1 715 . 1 1 72 72 VAL HA H 1 3.563 0.02 . 1 . . . . 69 V HA . 15855 1 716 . 1 1 72 72 VAL HB H 1 2.025 0.02 . 1 . . . . 69 V HB . 15855 1 717 . 1 1 72 72 VAL HG11 H 1 0.989 0.02 . 2 . . . . 69 V HG1 . 15855 1 718 . 1 1 72 72 VAL HG12 H 1 0.989 0.02 . 2 . . . . 69 V HG1 . 15855 1 719 . 1 1 72 72 VAL HG13 H 1 0.989 0.02 . 2 . . . . 69 V HG1 . 15855 1 720 . 1 1 72 72 VAL HG21 H 1 1.038 0.02 . 2 . . . . 69 V HG2 . 15855 1 721 . 1 1 72 72 VAL HG22 H 1 1.038 0.02 . 2 . . . . 69 V HG2 . 15855 1 722 . 1 1 72 72 VAL HG23 H 1 1.038 0.02 . 2 . . . . 69 V HG2 . 15855 1 723 . 1 1 72 72 VAL C C 13 177.564 0.2 . 1 . . . . 69 V C . 15855 1 724 . 1 1 72 72 VAL CA C 13 66.584 0.2 . 1 . . . . 69 V CA . 15855 1 725 . 1 1 72 72 VAL CB C 13 32.660 0.2 . 1 . . . . 69 V CB . 15855 1 726 . 1 1 72 72 VAL CG1 C 13 21.399 0.2 . 2 . . . . 69 V CG1 . 15855 1 727 . 1 1 72 72 VAL CG2 C 13 22.302 0.2 . 2 . . . . 69 V CG2 . 15855 1 728 . 1 1 72 72 VAL N N 15 125.615 0.1 . 1 . . . . 69 V N . 15855 1 729 . 1 1 73 73 ALA H H 1 8.042 0.02 . 1 . . . . 70 A HN . 15855 1 730 . 1 1 73 73 ALA HA H 1 4.068 0.02 . 1 . . . . 70 A HA . 15855 1 731 . 1 1 73 73 ALA HB1 H 1 1.468 0.02 . 1 . . . . 70 A HB . 15855 1 732 . 1 1 73 73 ALA HB2 H 1 1.468 0.02 . 1 . . . . 70 A HB . 15855 1 733 . 1 1 73 73 ALA HB3 H 1 1.468 0.02 . 1 . . . . 70 A HB . 15855 1 734 . 1 1 73 73 ALA C C 13 180.505 0.2 . 1 . . . . 70 A C . 15855 1 735 . 1 1 73 73 ALA CA C 13 55.550 0.2 . 1 . . . . 70 A CA . 15855 1 736 . 1 1 73 73 ALA CB C 13 18.428 0.2 . 1 . . . . 70 A CB . 15855 1 737 . 1 1 73 73 ALA N N 15 121.980 0.1 . 1 . . . . 70 A N . 15855 1 738 . 1 1 74 74 LEU H H 1 7.755 0.02 . 1 . . . . 71 L HN . 15855 1 739 . 1 1 74 74 LEU HA H 1 3.906 0.02 . 1 . . . . 71 L HA . 15855 1 740 . 1 1 74 74 LEU HB2 H 1 1.338 0.02 . 1 . . . . 71 L HB2 . 15855 1 741 . 1 1 74 74 LEU HB3 H 1 1.338 0.02 . 1 . . . . 71 L HB3 . 15855 1 742 . 1 1 74 74 LEU HD11 H 1 0.205 0.02 . 2 . . . . 71 L HD1 . 15855 1 743 . 1 1 74 74 LEU HD12 H 1 0.205 0.02 . 2 . . . . 71 L HD1 . 15855 1 744 . 1 1 74 74 LEU HD13 H 1 0.205 0.02 . 2 . . . . 71 L HD1 . 15855 1 745 . 1 1 74 74 LEU HD21 H 1 0.303 0.02 . 2 . . . . 71 L HD2 . 15855 1 746 . 1 1 74 74 LEU HD22 H 1 0.303 0.02 . 2 . . . . 71 L HD2 . 15855 1 747 . 1 1 74 74 LEU HD23 H 1 0.303 0.02 . 2 . . . . 71 L HD2 . 15855 1 748 . 1 1 74 74 LEU HG H 1 1.498 0.02 . 1 . . . . 71 L HG . 15855 1 749 . 1 1 74 74 LEU CA C 13 57.898 0.2 . 1 . . . . 71 L CA . 15855 1 750 . 1 1 74 74 LEU CB C 13 44.639 0.2 . 1 . . . . 71 L CB . 15855 1 751 . 1 1 74 74 LEU CD1 C 13 25.215 0.2 . 2 . . . . 71 L CD1 . 15855 1 752 . 1 1 74 74 LEU CD2 C 13 23.887 0.2 . 2 . . . . 71 L CD2 . 15855 1 753 . 1 1 74 74 LEU N N 15 120.371 0.1 . 1 . . . . 71 L N . 15855 1 754 . 1 1 75 75 GLN H H 1 8.799 0.02 . 1 . . . . 72 Q HN . 15855 1 755 . 1 1 75 75 GLN HA H 1 4.148 0.02 . 1 . . . . 72 Q HA . 15855 1 756 . 1 1 75 75 GLN HB2 H 1 1.867 0.02 . 1 . . . . 72 Q HB2 . 15855 1 757 . 1 1 75 75 GLN HB3 H 1 1.867 0.02 . 1 . . . . 72 Q HB3 . 15855 1 758 . 1 1 75 75 GLN HG2 H 1 2.511 0.02 . 1 . . . . 72 Q HG2 . 15855 1 759 . 1 1 75 75 GLN HG3 H 1 2.511 0.02 . 1 . . . . 72 Q HG3 . 15855 1 760 . 1 1 75 75 GLN C C 13 176.507 0.2 . 1 . . . . 72 Q C . 15855 1 761 . 1 1 75 75 GLN CA C 13 59.427 0.2 . 1 . . . . 72 Q CA . 15855 1 762 . 1 1 75 75 GLN CB C 13 29.718 0.2 . 1 . . . . 72 Q CB . 15855 1 763 . 1 1 75 75 GLN CG C 13 37.077 0.2 . 1 . . . . 72 Q CG . 15855 1 764 . 1 1 75 75 GLN N N 15 120.090 0.1 . 1 . . . . 72 Q N . 15855 1 765 . 1 1 76 76 ILE H H 1 8.586 0.02 . 1 . . . . 73 I HN . 15855 1 766 . 1 1 76 76 ILE HA H 1 4.376 0.02 . 1 . . . . 73 I HA . 15855 1 767 . 1 1 76 76 ILE HB H 1 1.916 0.02 . 1 . . . . 73 I HB . 15855 1 768 . 1 1 76 76 ILE HD11 H 1 0.921 0.02 . 1 . . . . 73 I HD1 . 15855 1 769 . 1 1 76 76 ILE HD12 H 1 0.921 0.02 . 1 . . . . 73 I HD1 . 15855 1 770 . 1 1 76 76 ILE HD13 H 1 0.921 0.02 . 1 . . . . 73 I HD1 . 15855 1 771 . 1 1 76 76 ILE HG21 H 1 0.763 0.02 . 1 . . . . 73 I HG2 . 15855 1 772 . 1 1 76 76 ILE HG22 H 1 0.763 0.02 . 1 . . . . 73 I HG2 . 15855 1 773 . 1 1 76 76 ILE HG23 H 1 0.763 0.02 . 1 . . . . 73 I HG2 . 15855 1 774 . 1 1 76 76 ILE C C 13 178.589 0.2 . 1 . . . . 73 I C . 15855 1 775 . 1 1 76 76 ILE CA C 13 55.655 0.2 . 1 . . . . 73 I CA . 15855 1 776 . 1 1 76 76 ILE CB C 13 33.677 0.2 . 1 . . . . 73 I CB . 15855 1 777 . 1 1 76 76 ILE CD1 C 13 15.489 0.2 . 1 . . . . 73 I CD1 . 15855 1 778 . 1 1 76 76 ILE CG2 C 13 18.181 0.2 . 1 . . . . 73 I CG2 . 15855 1 779 . 1 1 76 76 ILE N N 15 121.902 0.1 . 1 . . . . 73 I N . 15855 1 780 . 1 1 77 77 HIS H H 1 7.477 0.02 . 1 . . . . 74 H HN . 15855 1 781 . 1 1 77 77 HIS HA H 1 3.871 0.02 . 1 . . . . 74 H HA . 15855 1 782 . 1 1 77 77 HIS HB2 H 1 2.797 0.02 . 2 . . . . 74 H HB2 . 15855 1 783 . 1 1 77 77 HIS HB3 H 1 3.173 0.02 . 2 . . . . 74 H HB3 . 15855 1 784 . 1 1 77 77 HIS HD2 H 1 6.880 0.02 . 1 . . . . 74 H HD2 . 15855 1 785 . 1 1 77 77 HIS C C 13 178.499 0.2 . 1 . . . . 74 H C . 15855 1 786 . 1 1 77 77 HIS CA C 13 57.883 0.2 . 1 . . . . 74 H CA . 15855 1 787 . 1 1 77 77 HIS CD2 C 13 120.323 0.2 . 1 . . . . 74 H CD2 . 15855 1 788 . 1 1 77 77 HIS N N 15 119.219 0.1 . 1 . . . . 74 H N . 15855 1 789 . 1 1 78 78 PHE H H 1 8.934 0.02 . 1 . . . . 75 F HN . 15855 1 790 . 1 1 78 78 PHE HA H 1 4.391 0.02 . 1 . . . . 75 F HA . 15855 1 791 . 1 1 78 78 PHE HB2 H 1 3.265 0.02 . 1 . . . . 75 F HB2 . 15855 1 792 . 1 1 78 78 PHE HB3 H 1 3.265 0.02 . 1 . . . . 75 F HB3 . 15855 1 793 . 1 1 78 78 PHE HD1 H 1 7.084 0.02 . 3 . . . . 75 F HD1 . 15855 1 794 . 1 1 78 78 PHE HE1 H 1 7.182 0.02 . 3 . . . . 75 F HE1 . 15855 1 795 . 1 1 78 78 PHE HZ H 1 7.388 0.02 . 1 . . . . 75 F HZ . 15855 1 796 . 1 1 78 78 PHE C C 13 178.617 0.2 . 1 . . . . 75 F C . 15855 1 797 . 1 1 78 78 PHE CA C 13 59.893 0.2 . 1 . . . . 75 F CA . 15855 1 798 . 1 1 78 78 PHE CB C 13 37.646 0.2 . 1 . . . . 75 F CB . 15855 1 799 . 1 1 78 78 PHE CD1 C 13 129.588 0.2 . 3 . . . . 75 F CD1 . 15855 1 800 . 1 1 78 78 PHE CE1 C 13 131.485 0.2 . 3 . . . . 75 F CE1 . 15855 1 801 . 1 1 78 78 PHE CZ C 13 129.136 0.2 . 1 . . . . 75 F CZ . 15855 1 802 . 1 1 78 78 PHE N N 15 118.972 0.1 . 1 . . . . 75 F N . 15855 1 803 . 1 1 79 79 THR H H 1 8.507 0.02 . 1 . . . . 76 T HN . 15855 1 804 . 1 1 79 79 THR HA H 1 3.884 0.02 . 1 . . . . 76 T HA . 15855 1 805 . 1 1 79 79 THR HB H 1 4.325 0.02 . 1 . . . . 76 T HB . 15855 1 806 . 1 1 79 79 THR HG21 H 1 1.285 0.02 . 1 . . . . 76 T HG2 . 15855 1 807 . 1 1 79 79 THR HG22 H 1 1.285 0.02 . 1 . . . . 76 T HG2 . 15855 1 808 . 1 1 79 79 THR HG23 H 1 1.285 0.02 . 1 . . . . 76 T HG2 . 15855 1 809 . 1 1 79 79 THR C C 13 176.592 0.2 . 1 . . . . 76 T C . 15855 1 810 . 1 1 79 79 THR CA C 13 67.952 0.2 . 1 . . . . 76 T CA . 15855 1 811 . 1 1 79 79 THR CB C 13 69.396 0.2 . 1 . . . . 76 T CB . 15855 1 812 . 1 1 79 79 THR CG2 C 13 22.496 0.2 . 1 . . . . 76 T CG2 . 15855 1 813 . 1 1 79 79 THR N N 15 117.527 0.1 . 1 . . . . 76 T N . 15855 1 814 . 1 1 80 80 LEU H H 1 7.853 0.02 . 1 . . . . 77 L HN . 15855 1 815 . 1 1 80 80 LEU HA H 1 4.118 0.02 . 1 . . . . 77 L HA . 15855 1 816 . 1 1 80 80 LEU HB2 H 1 1.706 0.02 . 4 . . . . 77 L HB2 . 15855 1 817 . 1 1 80 80 LEU HB3 H 1 1.489 0.02 . 4 . . . . 77 L HB3 . 15855 1 818 . 1 1 80 80 LEU HD11 H 1 0.797 0.02 . 2 . . . . 77 L HD1 . 15855 1 819 . 1 1 80 80 LEU HD12 H 1 0.797 0.02 . 2 . . . . 77 L HD1 . 15855 1 820 . 1 1 80 80 LEU HD13 H 1 0.797 0.02 . 2 . . . . 77 L HD1 . 15855 1 821 . 1 1 80 80 LEU HD21 H 1 0.853 0.02 . 2 . . . . 77 L HD2 . 15855 1 822 . 1 1 80 80 LEU HD22 H 1 0.853 0.02 . 2 . . . . 77 L HD2 . 15855 1 823 . 1 1 80 80 LEU HD23 H 1 0.853 0.02 . 2 . . . . 77 L HD2 . 15855 1 824 . 1 1 80 80 LEU HG H 1 1.888 0.02 . 4 . . . . 77 L HG . 15855 1 825 . 1 1 80 80 LEU C C 13 178.413 0.2 . 1 . . . . 77 L C . 15855 1 826 . 1 1 80 80 LEU CA C 13 57.855 0.2 . 1 . . . . 77 L CA . 15855 1 827 . 1 1 80 80 LEU CB C 13 41.692 0.2 . 1 . . . . 77 L CB . 15855 1 828 . 1 1 80 80 LEU N N 15 123.567 0.1 . 1 . . . . 77 L N . 15855 1 829 . 1 1 81 81 ILE H H 1 8.009 0.02 . 1 . . . . 78 I HN . 15855 1 830 . 1 1 81 81 ILE HA H 1 3.826 0.02 . 1 . . . . 78 I HA . 15855 1 831 . 1 1 81 81 ILE HB H 1 2.534 0.02 . 1 . . . . 78 I HB . 15855 1 832 . 1 1 81 81 ILE HD11 H 1 0.741 0.02 . 1 . . . . 78 I HD1 . 15855 1 833 . 1 1 81 81 ILE HD12 H 1 0.741 0.02 . 1 . . . . 78 I HD1 . 15855 1 834 . 1 1 81 81 ILE HD13 H 1 0.741 0.02 . 1 . . . . 78 I HD1 . 15855 1 835 . 1 1 81 81 ILE HG21 H 1 0.874 0.02 . 1 . . . . 78 I HG2 . 15855 1 836 . 1 1 81 81 ILE HG22 H 1 0.874 0.02 . 1 . . . . 78 I HG2 . 15855 1 837 . 1 1 81 81 ILE HG23 H 1 0.874 0.02 . 1 . . . . 78 I HG2 . 15855 1 838 . 1 1 81 81 ILE C C 13 179.289 0.2 . 1 . . . . 78 I C . 15855 1 839 . 1 1 81 81 ILE CA C 13 59.122 0.2 . 1 . . . . 78 I CA . 15855 1 840 . 1 1 81 81 ILE CB C 13 34.023 0.2 . 1 . . . . 78 I CB . 15855 1 841 . 1 1 81 81 ILE CD1 C 13 14.948 0.2 . 1 . . . . 78 I CD1 . 15855 1 842 . 1 1 81 81 ILE CG2 C 13 18.265 0.2 . 1 . . . . 78 I CG2 . 15855 1 843 . 1 1 81 81 ILE N N 15 116.506 0.1 . 1 . . . . 78 I N . 15855 1 844 . 1 1 82 82 GLN H H 1 8.706 0.02 . 1 . . . . 79 Q HN . 15855 1 845 . 1 1 82 82 GLN HA H 1 4.200 0.02 . 1 . . . . 79 Q HA . 15855 1 846 . 1 1 82 82 GLN HB2 H 1 2.150 0.02 . 1 . . . . 79 Q HB2 . 15855 1 847 . 1 1 82 82 GLN HB3 H 1 2.150 0.02 . 1 . . . . 79 Q HB3 . 15855 1 848 . 1 1 82 82 GLN HG2 H 1 2.312 0.02 . 1 . . . . 79 Q HG2 . 15855 1 849 . 1 1 82 82 GLN HG3 H 1 2.312 0.02 . 1 . . . . 79 Q HG3 . 15855 1 850 . 1 1 82 82 GLN C C 13 177.949 0.2 . 1 . . . . 79 Q C . 15855 1 851 . 1 1 82 82 GLN CA C 13 59.528 0.2 . 1 . . . . 79 Q CA . 15855 1 852 . 1 1 82 82 GLN CB C 13 29.254 0.2 . 1 . . . . 79 Q CB . 15855 1 853 . 1 1 82 82 GLN CG C 13 35.390 0.2 . 1 . . . . 79 Q CG . 15855 1 854 . 1 1 82 82 GLN N N 15 119.676 0.1 . 1 . . . . 79 Q N . 15855 1 855 . 1 1 83 83 ALA H H 1 8.064 0.02 . 1 . . . . 80 A HN . 15855 1 856 . 1 1 83 83 ALA HA H 1 4.183 0.02 . 1 . . . . 80 A HA . 15855 1 857 . 1 1 83 83 ALA HB1 H 1 1.418 0.02 . 1 . . . . 80 A HB . 15855 1 858 . 1 1 83 83 ALA HB2 H 1 1.418 0.02 . 1 . . . . 80 A HB . 15855 1 859 . 1 1 83 83 ALA HB3 H 1 1.418 0.02 . 1 . . . . 80 A HB . 15855 1 860 . 1 1 83 83 ALA C C 13 180.140 0.2 . 1 . . . . 80 A C . 15855 1 861 . 1 1 83 83 ALA CA C 13 55.812 0.2 . 1 . . . . 80 A CA . 15855 1 862 . 1 1 83 83 ALA CB C 13 18.599 0.2 . 1 . . . . 80 A CB . 15855 1 863 . 1 1 83 83 ALA N N 15 122.200 0.1 . 1 . . . . 80 A N . 15855 1 864 . 1 1 84 84 PHE H H 1 8.279 0.02 . 1 . . . . 81 F HN . 15855 1 865 . 1 1 84 84 PHE HA H 1 4.267 0.02 . 1 . . . . 81 F HA . 15855 1 866 . 1 1 84 84 PHE HB2 H 1 3.119 0.02 . 2 . . . . 81 F HB2 . 15855 1 867 . 1 1 84 84 PHE HB3 H 1 3.285 0.02 . 2 . . . . 81 F HB3 . 15855 1 868 . 1 1 84 84 PHE HD1 H 1 7.149 0.02 . 3 . . . . 81 F HD1 . 15855 1 869 . 1 1 84 84 PHE HE1 H 1 7.276 0.02 . 3 . . . . 81 F HE1 . 15855 1 870 . 1 1 84 84 PHE HZ H 1 7.149 0.02 . 1 . . . . 81 F HZ . 15855 1 871 . 1 1 84 84 PHE C C 13 180.168 0.2 . 1 . . . . 81 F C . 15855 1 872 . 1 1 84 84 PHE CA C 13 61.839 0.2 . 1 . . . . 81 F CA . 15855 1 873 . 1 1 84 84 PHE CB C 13 40.720 0.2 . 1 . . . . 81 F CB . 15855 1 874 . 1 1 84 84 PHE CD1 C 13 131.648 0.2 . 3 . . . . 81 F CD1 . 15855 1 875 . 1 1 84 84 PHE CE1 C 13 131.407 0.2 . 3 . . . . 81 F CE1 . 15855 1 876 . 1 1 84 84 PHE CZ C 13 132.958 0.2 . 1 . . . . 81 F CZ . 15855 1 877 . 1 1 84 84 PHE N N 15 117.991 0.1 . 1 . . . . 81 F N . 15855 1 878 . 1 1 85 85 CYS H H 1 8.640 0.02 . 1 . . . . 82 C HN . 15855 1 879 . 1 1 85 85 CYS HA H 1 4.108 0.02 . 1 . . . . 82 C HA . 15855 1 880 . 1 1 85 85 CYS HB2 H 1 2.889 0.02 . 1 . . . . 82 C HB2 . 15855 1 881 . 1 1 85 85 CYS HB3 H 1 2.889 0.02 . 1 . . . . 82 C HB3 . 15855 1 882 . 1 1 85 85 CYS C C 13 176.960 0.2 . 1 . . . . 82 C C . 15855 1 883 . 1 1 85 85 CYS CA C 13 65.675 0.2 . 1 . . . . 82 C CA . 15855 1 884 . 1 1 85 85 CYS CB C 13 27.064 0.2 . 1 . . . . 82 C CB . 15855 1 885 . 1 1 85 85 CYS N N 15 117.718 0.1 . 1 . . . . 82 C N . 15855 1 886 . 1 1 86 86 CYS H H 1 8.555 0.02 . 1 . . . . 83 C HN . 15855 1 887 . 1 1 86 86 CYS HA H 1 4.350 0.02 . 1 . . . . 83 C HA . 15855 1 888 . 1 1 86 86 CYS HB2 H 1 2.939 0.02 . 2 . . . . 83 C HB2 . 15855 1 889 . 1 1 86 86 CYS HB3 H 1 3.015 0.02 . 2 . . . . 83 C HB3 . 15855 1 890 . 1 1 86 86 CYS C C 13 177.871 0.2 . 1 . . . . 83 C C . 15855 1 891 . 1 1 86 86 CYS CA C 13 63.472 0.2 . 1 . . . . 83 C CA . 15855 1 892 . 1 1 86 86 CYS CB C 13 27.051 0.2 . 1 . . . . 83 C CB . 15855 1 893 . 1 1 86 86 CYS N N 15 118.894 0.1 . 1 . . . . 83 C N . 15855 1 894 . 1 1 87 87 GLU H H 1 8.135 0.02 . 1 . . . . 84 E HN . 15855 1 895 . 1 1 87 87 GLU HA H 1 4.123 0.02 . 1 . . . . 84 E HA . 15855 1 896 . 1 1 87 87 GLU HB2 H 1 1.989 0.02 . 1 . . . . 84 E HB2 . 15855 1 897 . 1 1 87 87 GLU HB3 H 1 1.989 0.02 . 1 . . . . 84 E HB3 . 15855 1 898 . 1 1 87 87 GLU HG2 H 1 2.295 0.02 . 1 . . . . 84 E HG2 . 15855 1 899 . 1 1 87 87 GLU HG3 H 1 2.295 0.02 . 1 . . . . 84 E HG3 . 15855 1 900 . 1 1 87 87 GLU C C 13 176.967 0.2 . 1 . . . . 84 E C . 15855 1 901 . 1 1 87 87 GLU CA C 13 58.925 0.2 . 1 . . . . 84 E CA . 15855 1 902 . 1 1 87 87 GLU CB C 13 30.278 0.2 . 1 . . . . 84 E CB . 15855 1 903 . 1 1 87 87 GLU CG C 13 36.705 0.2 . 1 . . . . 84 E CG . 15855 1 904 . 1 1 87 87 GLU N N 15 118.534 0.1 . 1 . . . . 84 E N . 15855 1 905 . 1 1 88 88 ASN H H 1 7.291 0.02 . 1 . . . . 85 N HN . 15855 1 906 . 1 1 88 88 ASN HA H 1 4.832 0.02 . 1 . . . . 85 N HA . 15855 1 907 . 1 1 88 88 ASN HB2 H 1 2.840 0.02 . 1 . . . . 85 N HB2 . 15855 1 908 . 1 1 88 88 ASN HB3 H 1 2.840 0.02 . 1 . . . . 85 N HB3 . 15855 1 909 . 1 1 88 88 ASN C C 13 172.504 0.2 . 1 . . . . 85 N C . 15855 1 910 . 1 1 88 88 ASN CA C 13 54.496 0.2 . 1 . . . . 85 N CA . 15855 1 911 . 1 1 88 88 ASN CB C 13 40.889 0.2 . 1 . . . . 85 N CB . 15855 1 912 . 1 1 88 88 ASN N N 15 113.295 0.1 . 1 . . . . 85 N N . 15855 1 913 . 1 1 89 89 ASP H H 1 7.646 0.02 . 1 . . . . 86 D HN . 15855 1 914 . 1 1 89 89 ASP HA H 1 4.347 0.02 . 1 . . . . 86 D HA . 15855 1 915 . 1 1 89 89 ASP HB2 H 1 2.516 0.02 . 2 . . . . 86 D HB2 . 15855 1 916 . 1 1 89 89 ASP HB3 H 1 3.063 0.02 . 2 . . . . 86 D HB3 . 15855 1 917 . 1 1 89 89 ASP C C 13 174.528 0.2 . 1 . . . . 86 D C . 15855 1 918 . 1 1 89 89 ASP CA C 13 56.068 0.2 . 1 . . . . 86 D CA . 15855 1 919 . 1 1 89 89 ASP CB C 13 39.836 0.2 . 1 . . . . 86 D CB . 15855 1 920 . 1 1 89 89 ASP N N 15 118.464 0.1 . 1 . . . . 86 D N . 15855 1 921 . 1 1 90 90 ILE H H 1 8.451 0.02 . 1 . . . . 87 I HN . 15855 1 922 . 1 1 90 90 ILE HA H 1 4.171 0.02 . 1 . . . . 87 I HA . 15855 1 923 . 1 1 90 90 ILE HB H 1 1.456 0.02 . 1 . . . . 87 I HB . 15855 1 924 . 1 1 90 90 ILE HD11 H 1 0.894 0.02 . 1 . . . . 87 I HD1 . 15855 1 925 . 1 1 90 90 ILE HD12 H 1 0.894 0.02 . 1 . . . . 87 I HD1 . 15855 1 926 . 1 1 90 90 ILE HD13 H 1 0.894 0.02 . 1 . . . . 87 I HD1 . 15855 1 927 . 1 1 90 90 ILE HG12 H 1 1.107 0.02 . 2 . . . . 87 I HG12 . 15855 1 928 . 1 1 90 90 ILE HG21 H 1 0.839 0.02 . 1 . . . . 87 I HG2 . 15855 1 929 . 1 1 90 90 ILE HG22 H 1 0.839 0.02 . 1 . . . . 87 I HG2 . 15855 1 930 . 1 1 90 90 ILE HG23 H 1 0.839 0.02 . 1 . . . . 87 I HG2 . 15855 1 931 . 1 1 90 90 ILE C C 13 176.325 0.2 . 1 . . . . 87 I C . 15855 1 932 . 1 1 90 90 ILE CA C 13 60.626 0.2 . 1 . . . . 87 I CA . 15855 1 933 . 1 1 90 90 ILE CB C 13 40.274 0.2 . 1 . . . . 87 I CB . 15855 1 934 . 1 1 90 90 ILE CD1 C 13 14.778 0.2 . 1 . . . . 87 I CD1 . 15855 1 935 . 1 1 90 90 ILE CG1 C 13 27.910 0.2 . 1 . . . . 87 I CG1 . 15855 1 936 . 1 1 90 90 ILE CG2 C 13 18.167 0.2 . 1 . . . . 87 I CG2 . 15855 1 937 . 1 1 90 90 ILE N N 15 119.386 0.1 . 1 . . . . 87 I N . 15855 1 938 . 1 1 91 91 ASN H H 1 8.255 0.02 . 1 . . . . 88 N HN . 15855 1 939 . 1 1 91 91 ASN HA H 1 4.383 0.02 . 1 . . . . 88 N HA . 15855 1 940 . 1 1 91 91 ASN HB2 H 1 2.770 0.02 . 2 . . . . 88 N HB2 . 15855 1 941 . 1 1 91 91 ASN HB3 H 1 2.819 0.02 . 2 . . . . 88 N HB3 . 15855 1 942 . 1 1 91 91 ASN HD21 H 1 7.023 0.02 . 2 . . . . 88 N HD21 . 15855 1 943 . 1 1 91 91 ASN HD22 H 1 7.997 0.02 . 2 . . . . 88 N HD22 . 15855 1 944 . 1 1 91 91 ASN C C 13 172.314 0.2 . 1 . . . . 88 N C . 15855 1 945 . 1 1 91 91 ASN CA C 13 56.128 0.2 . 1 . . . . 88 N CA . 15855 1 946 . 1 1 91 91 ASN CB C 13 39.668 0.2 . 1 . . . . 88 N CB . 15855 1 947 . 1 1 91 91 ASN N N 15 125.964 0.1 . 1 . . . . 88 N N . 15855 1 948 . 1 1 91 91 ASN ND2 N 15 116.201 0.1 . 1 . . . . 88 N ND2 . 15855 1 949 . 1 1 92 92 ILE H H 1 7.940 0.02 . 1 . . . . 89 I HN . 15855 1 950 . 1 1 92 92 ILE HA H 1 5.755 0.02 . 1 . . . . 89 I HA . 15855 1 951 . 1 1 92 92 ILE HB H 1 1.689 0.02 . 1 . . . . 89 I HB . 15855 1 952 . 1 1 92 92 ILE HD11 H 1 1.070 0.02 . 1 . . . . 89 I HD1 . 15855 1 953 . 1 1 92 92 ILE HD12 H 1 1.070 0.02 . 1 . . . . 89 I HD1 . 15855 1 954 . 1 1 92 92 ILE HD13 H 1 1.070 0.02 . 1 . . . . 89 I HD1 . 15855 1 955 . 1 1 92 92 ILE HG12 H 1 1.480 0.02 . 2 . . . . 89 I HG12 . 15855 1 956 . 1 1 92 92 ILE HG21 H 1 0.710 0.02 . 1 . . . . 89 I HG2 . 15855 1 957 . 1 1 92 92 ILE HG22 H 1 0.710 0.02 . 1 . . . . 89 I HG2 . 15855 1 958 . 1 1 92 92 ILE HG23 H 1 0.710 0.02 . 1 . . . . 89 I HG2 . 15855 1 959 . 1 1 92 92 ILE C C 13 172.677 0.2 . 1 . . . . 89 I C . 15855 1 960 . 1 1 92 92 ILE CA C 13 58.565 0.2 . 1 . . . . 89 I CA . 15855 1 961 . 1 1 92 92 ILE CB C 13 42.075 0.2 . 1 . . . . 89 I CB . 15855 1 962 . 1 1 92 92 ILE CD1 C 13 16.133 0.2 . 1 . . . . 89 I CD1 . 15855 1 963 . 1 1 92 92 ILE CG1 C 13 27.995 0.2 . 1 . . . . 89 I CG1 . 15855 1 964 . 1 1 92 92 ILE CG2 C 13 17.429 0.2 . 1 . . . . 89 I CG2 . 15855 1 965 . 1 1 92 92 ILE N N 15 122.154 0.1 . 1 . . . . 89 I N . 15855 1 966 . 1 1 93 93 LEU H H 1 8.471 0.02 . 1 . . . . 90 L HN . 15855 1 967 . 1 1 93 93 LEU HA H 1 4.758 0.02 . 1 . . . . 90 L HA . 15855 1 968 . 1 1 93 93 LEU HB2 H 1 1.471 0.02 . 2 . . . . 90 L HB2 . 15855 1 969 . 1 1 93 93 LEU HB3 H 1 1.561 0.02 . 2 . . . . 90 L HB3 . 15855 1 970 . 1 1 93 93 LEU HD11 H 1 0.902 0.02 . 2 . . . . 90 L HD1 . 15855 1 971 . 1 1 93 93 LEU HD12 H 1 0.902 0.02 . 2 . . . . 90 L HD1 . 15855 1 972 . 1 1 93 93 LEU HD13 H 1 0.902 0.02 . 2 . . . . 90 L HD1 . 15855 1 973 . 1 1 93 93 LEU HD21 H 1 0.906 0.02 . 2 . . . . 90 L HD2 . 15855 1 974 . 1 1 93 93 LEU HD22 H 1 0.906 0.02 . 2 . . . . 90 L HD2 . 15855 1 975 . 1 1 93 93 LEU HD23 H 1 0.906 0.02 . 2 . . . . 90 L HD2 . 15855 1 976 . 1 1 93 93 LEU C C 13 173.968 0.2 . 1 . . . . 90 L C . 15855 1 977 . 1 1 93 93 LEU CA C 13 54.333 0.2 . 1 . . . . 90 L CA . 15855 1 978 . 1 1 93 93 LEU CB C 13 47.050 0.2 . 1 . . . . 90 L CB . 15855 1 979 . 1 1 93 93 LEU CD1 C 13 22.003 0.2 . 2 . . . . 90 L CD1 . 15855 1 980 . 1 1 93 93 LEU CD2 C 13 27.457 0.2 . 2 . . . . 90 L CD2 . 15855 1 981 . 1 1 93 93 LEU CG C 13 27.173 0.2 . 1 . . . . 90 L CG . 15855 1 982 . 1 1 93 93 LEU N N 15 123.254 0.1 . 1 . . . . 90 L N . 15855 1 983 . 1 1 94 94 ARG H H 1 8.868 0.02 . 1 . . . . 91 R HN . 15855 1 984 . 1 1 94 94 ARG HA H 1 5.256 0.02 . 1 . . . . 91 R HA . 15855 1 985 . 1 1 94 94 ARG HB2 H 1 1.407 0.02 . 2 . . . . 91 R HB2 . 15855 1 986 . 1 1 94 94 ARG HB3 H 1 1.732 0.02 . 2 . . . . 91 R HB3 . 15855 1 987 . 1 1 94 94 ARG HD2 H 1 3.065 0.02 . 1 . . . . 91 R HD2 . 15855 1 988 . 1 1 94 94 ARG HD3 H 1 3.065 0.02 . 1 . . . . 91 R HD3 . 15855 1 989 . 1 1 94 94 ARG HG2 H 1 1.348 0.02 . 1 . . . . 91 R HG2 . 15855 1 990 . 1 1 94 94 ARG HG3 H 1 1.348 0.02 . 1 . . . . 91 R HG3 . 15855 1 991 . 1 1 94 94 ARG C C 13 174.670 0.2 . 1 . . . . 91 R C . 15855 1 992 . 1 1 94 94 ARG CA C 13 54.226 0.2 . 1 . . . . 91 R CA . 15855 1 993 . 1 1 94 94 ARG CB C 13 33.701 0.2 . 1 . . . . 91 R CB . 15855 1 994 . 1 1 94 94 ARG CG C 13 28.632 0.2 . 1 . . . . 91 R CG . 15855 1 995 . 1 1 94 94 ARG N N 15 121.280 0.1 . 1 . . . . 91 R N . 15855 1 996 . 1 1 95 95 VAL H H 1 8.745 0.02 . 1 . . . . 92 V HN . 15855 1 997 . 1 1 95 95 VAL HA H 1 5.038 0.02 . 1 . . . . 92 V HA . 15855 1 998 . 1 1 95 95 VAL HB H 1 1.963 0.02 . 1 . . . . 92 V HB . 15855 1 999 . 1 1 95 95 VAL HG11 H 1 0.765 0.02 . 2 . . . . 92 V HG1 . 15855 1 1000 . 1 1 95 95 VAL HG12 H 1 0.765 0.02 . 2 . . . . 92 V HG1 . 15855 1 1001 . 1 1 95 95 VAL HG13 H 1 0.765 0.02 . 2 . . . . 92 V HG1 . 15855 1 1002 . 1 1 95 95 VAL HG21 H 1 0.903 0.02 . 2 . . . . 92 V HG2 . 15855 1 1003 . 1 1 95 95 VAL HG22 H 1 0.903 0.02 . 2 . . . . 92 V HG2 . 15855 1 1004 . 1 1 95 95 VAL HG23 H 1 0.903 0.02 . 2 . . . . 92 V HG2 . 15855 1 1005 . 1 1 95 95 VAL C C 13 176.717 0.2 . 1 . . . . 92 V C . 15855 1 1006 . 1 1 95 95 VAL CA C 13 60.826 0.2 . 1 . . . . 92 V CA . 15855 1 1007 . 1 1 95 95 VAL CB C 13 32.002 0.2 . 1 . . . . 92 V CB . 15855 1 1008 . 1 1 95 95 VAL CG1 C 13 22.670 0.2 . 2 . . . . 92 V CG1 . 15855 1 1009 . 1 1 95 95 VAL CG2 C 13 22.609 0.2 . 2 . . . . 92 V CG2 . 15855 1 1010 . 1 1 95 95 VAL N N 15 123.483 0.1 . 1 . . . . 92 V N . 15855 1 1011 . 1 1 96 96 SER H H 1 8.841 0.02 . 1 . . . . 93 S HN . 15855 1 1012 . 1 1 96 96 SER HA H 1 4.434 0.02 . 1 . . . . 93 S HA . 15855 1 1013 . 1 1 96 96 SER HB2 H 1 3.690 0.02 . 2 . . . . 93 S HB2 . 15855 1 1014 . 1 1 96 96 SER HB3 H 1 4.040 0.02 . 2 . . . . 93 S HB3 . 15855 1 1015 . 1 1 96 96 SER C C 13 174.116 0.2 . 1 . . . . 93 S C . 15855 1 1016 . 1 1 96 96 SER CA C 13 59.950 0.2 . 1 . . . . 93 S CA . 15855 1 1017 . 1 1 96 96 SER CB C 13 64.150 0.2 . 1 . . . . 93 S CB . 15855 1 1018 . 1 1 96 96 SER N N 15 120.726 0.1 . 1 . . . . 93 S N . 15855 1 1019 . 1 1 97 97 ASN H H 1 8.752 0.02 . 1 . . . . 94 N HN . 15855 1 1020 . 1 1 97 97 ASN HA H 1 5.276 0.02 . 1 . . . . 94 N HA . 15855 1 1021 . 1 1 97 97 ASN HB2 H 1 2.776 0.02 . 1 . . . . 94 N HB2 . 15855 1 1022 . 1 1 97 97 ASN HB3 H 1 2.776 0.02 . 1 . . . . 94 N HB3 . 15855 1 1023 . 1 1 97 97 ASN C C 13 172.958 0.2 . 1 . . . . 94 N C . 15855 1 1024 . 1 1 97 97 ASN CA C 13 51.290 0.2 . 1 . . . . 94 N CA . 15855 1 1025 . 1 1 97 97 ASN CB C 13 36.435 0.2 . 1 . . . . 94 N CB . 15855 1 1026 . 1 1 97 97 ASN N N 15 116.056 0.1 . 1 . . . . 94 N N . 15855 1 1027 . 1 1 98 98 PRO HB2 H 1 2.117 0.02 . 1 . . . . 95 P HB2 . 15855 1 1028 . 1 1 98 98 PRO HB3 H 1 2.117 0.02 . 1 . . . . 95 P HB3 . 15855 1 1029 . 1 1 98 98 PRO HD2 H 1 3.449 0.02 . 2 . . . . 95 P HD2 . 15855 1 1030 . 1 1 98 98 PRO HD3 H 1 3.813 0.02 . 2 . . . . 95 P HD3 . 15855 1 1031 . 1 1 98 98 PRO C C 13 178.005 0.2 . 1 . . . . 95 P C . 15855 1 1032 . 1 1 98 98 PRO CA C 13 65.258 0.2 . 1 . . . . 95 P CA . 15855 1 1033 . 1 1 98 98 PRO CB C 13 32.690 0.2 . 1 . . . . 95 P CB . 15855 1 1034 . 1 1 98 98 PRO CD C 13 51.610 0.2 . 1 . . . . 95 P CD . 15855 1 1035 . 1 1 99 99 GLY H H 1 9.199 0.02 . 1 . . . . 96 G HN . 15855 1 1036 . 1 1 99 99 GLY HA2 H 1 3.799 0.02 . 2 . . . . 96 G HA2 . 15855 1 1037 . 1 1 99 99 GLY HA3 H 1 3.875 0.02 . 2 . . . . 96 G HA3 . 15855 1 1038 . 1 1 99 99 GLY C C 13 176.623 0.2 . 1 . . . . 96 G C . 15855 1 1039 . 1 1 99 99 GLY CA C 13 47.686 0.2 . 1 . . . . 96 G CA . 15855 1 1040 . 1 1 99 99 GLY N N 15 108.980 0.1 . 1 . . . . 96 G N . 15855 1 1041 . 1 1 100 100 ARG H H 1 7.474 0.02 . 1 . . . . 97 R HN . 15855 1 1042 . 1 1 100 100 ARG HA H 1 4.226 0.02 . 1 . . . . 97 R HA . 15855 1 1043 . 1 1 100 100 ARG HB2 H 1 1.923 0.02 . 2 . . . . 97 R HB2 . 15855 1 1044 . 1 1 100 100 ARG HB3 H 1 2.184 0.02 . 2 . . . . 97 R HB3 . 15855 1 1045 . 1 1 100 100 ARG HD2 H 1 3.329 0.02 . 1 . . . . 97 R HD2 . 15855 1 1046 . 1 1 100 100 ARG HD3 H 1 3.329 0.02 . 1 . . . . 97 R HD3 . 15855 1 1047 . 1 1 100 100 ARG C C 13 177.838 0.2 . 1 . . . . 97 R C . 15855 1 1048 . 1 1 100 100 ARG CA C 13 57.095 0.2 . 1 . . . . 97 R CA . 15855 1 1049 . 1 1 100 100 ARG CB C 13 30.114 0.2 . 1 . . . . 97 R CB . 15855 1 1050 . 1 1 100 100 ARG CD C 13 43.536 0.2 . 1 . . . . 97 R CD . 15855 1 1051 . 1 1 100 100 ARG N N 15 121.730 0.1 . 1 . . . . 97 R N . 15855 1 1052 . 1 1 101 101 LEU H H 1 6.949 0.02 . 1 . . . . 98 L HN . 15855 1 1053 . 1 1 101 101 LEU HA H 1 3.878 0.02 . 1 . . . . 98 L HA . 15855 1 1054 . 1 1 101 101 LEU HB2 H 1 1.195 0.02 . 1 . . . . 98 L HB2 . 15855 1 1055 . 1 1 101 101 LEU HB3 H 1 1.195 0.02 . 1 . . . . 98 L HB3 . 15855 1 1056 . 1 1 101 101 LEU HD11 H 1 0.753 0.02 . 2 . . . . 98 L HD1 . 15855 1 1057 . 1 1 101 101 LEU HD12 H 1 0.753 0.02 . 2 . . . . 98 L HD1 . 15855 1 1058 . 1 1 101 101 LEU HD13 H 1 0.753 0.02 . 2 . . . . 98 L HD1 . 15855 1 1059 . 1 1 101 101 LEU HD21 H 1 0.786 0.02 . 2 . . . . 98 L HD2 . 15855 1 1060 . 1 1 101 101 LEU HD22 H 1 0.786 0.02 . 2 . . . . 98 L HD2 . 15855 1 1061 . 1 1 101 101 LEU HD23 H 1 0.786 0.02 . 2 . . . . 98 L HD2 . 15855 1 1062 . 1 1 101 101 LEU HG H 1 1.523 0.02 . 1 . . . . 98 L HG . 15855 1 1063 . 1 1 101 101 LEU C C 13 177.244 0.2 . 1 . . . . 98 L C . 15855 1 1064 . 1 1 101 101 LEU CA C 13 58.663 0.2 . 1 . . . . 98 L CA . 15855 1 1065 . 1 1 101 101 LEU CB C 13 42.564 0.2 . 1 . . . . 98 L CB . 15855 1 1066 . 1 1 101 101 LEU CD1 C 13 26.673 0.2 . 2 . . . . 98 L CD1 . 15855 1 1067 . 1 1 101 101 LEU CD2 C 13 25.444 0.2 . 2 . . . . 98 L CD2 . 15855 1 1068 . 1 1 101 101 LEU CG C 13 27.551 0.2 . 1 . . . . 98 L CG . 15855 1 1069 . 1 1 101 101 LEU N N 15 119.686 0.1 . 1 . . . . 98 L N . 15855 1 1070 . 1 1 102 102 ALA H H 1 7.823 0.02 . 1 . . . . 99 A HN . 15855 1 1071 . 1 1 102 102 ALA HA H 1 3.794 0.02 . 1 . . . . 99 A HA . 15855 1 1072 . 1 1 102 102 ALA HB1 H 1 1.456 0.02 . 1 . . . . 99 A HB . 15855 1 1073 . 1 1 102 102 ALA HB2 H 1 1.456 0.02 . 1 . . . . 99 A HB . 15855 1 1074 . 1 1 102 102 ALA HB3 H 1 1.456 0.02 . 1 . . . . 99 A HB . 15855 1 1075 . 1 1 102 102 ALA C C 13 179.271 0.2 . 1 . . . . 99 A C . 15855 1 1076 . 1 1 102 102 ALA CA C 13 56.008 0.2 . 1 . . . . 99 A CA . 15855 1 1077 . 1 1 102 102 ALA CB C 13 18.702 0.2 . 1 . . . . 99 A CB . 15855 1 1078 . 1 1 102 102 ALA N N 15 118.791 0.1 . 1 . . . . 99 A N . 15855 1 1079 . 1 1 103 103 GLU H H 1 7.337 0.02 . 1 . . . . 100 E HN . 15855 1 1080 . 1 1 103 103 GLU HA H 1 3.965 0.02 . 1 . . . . 100 E HA . 15855 1 1081 . 1 1 103 103 GLU HB2 H 1 2.048 0.02 . 1 . . . . 100 E HB2 . 15855 1 1082 . 1 1 103 103 GLU HB3 H 1 2.048 0.02 . 1 . . . . 100 E HB3 . 15855 1 1083 . 1 1 103 103 GLU HG2 H 1 2.232 0.02 . 2 . . . . 100 E HG2 . 15855 1 1084 . 1 1 103 103 GLU HG3 H 1 2.475 0.02 . 2 . . . . 100 E HG3 . 15855 1 1085 . 1 1 103 103 GLU C C 13 179.222 0.2 . 1 . . . . 100 E C . 15855 1 1086 . 1 1 103 103 GLU CA C 13 59.347 0.2 . 1 . . . . 100 E CA . 15855 1 1087 . 1 1 103 103 GLU CB C 13 30.761 0.2 . 1 . . . . 100 E CB . 15855 1 1088 . 1 1 103 103 GLU CG C 13 37.162 0.2 . 1 . . . . 100 E CG . 15855 1 1089 . 1 1 103 103 GLU N N 15 115.992 0.1 . 1 . . . . 100 E N . 15855 1 1090 . 1 1 104 104 LEU H H 1 7.747 0.02 . 1 . . . . 101 L HN . 15855 1 1091 . 1 1 104 104 LEU HA H 1 4.072 0.02 . 1 . . . . 101 L HA . 15855 1 1092 . 1 1 104 104 LEU HB2 H 1 1.474 0.02 . 2 . . . . 101 L HB2 . 15855 1 1093 . 1 1 104 104 LEU HB3 H 1 1.778 0.02 . 2 . . . . 101 L HB3 . 15855 1 1094 . 1 1 104 104 LEU HD11 H 1 0.773 0.02 . 2 . . . . 101 L HD1 . 15855 1 1095 . 1 1 104 104 LEU HD12 H 1 0.773 0.02 . 2 . . . . 101 L HD1 . 15855 1 1096 . 1 1 104 104 LEU HD13 H 1 0.773 0.02 . 2 . . . . 101 L HD1 . 15855 1 1097 . 1 1 104 104 LEU HD21 H 1 0.869 0.02 . 2 . . . . 101 L HD2 . 15855 1 1098 . 1 1 104 104 LEU HD22 H 1 0.869 0.02 . 2 . . . . 101 L HD2 . 15855 1 1099 . 1 1 104 104 LEU HD23 H 1 0.869 0.02 . 2 . . . . 101 L HD2 . 15855 1 1100 . 1 1 104 104 LEU HG H 1 1.691 0.02 . 1 . . . . 101 L HG . 15855 1 1101 . 1 1 104 104 LEU C C 13 177.890 0.2 . 1 . . . . 101 L C . 15855 1 1102 . 1 1 104 104 LEU CA C 13 57.935 0.2 . 1 . . . . 101 L CA . 15855 1 1103 . 1 1 104 104 LEU CB C 13 43.585 0.2 . 1 . . . . 101 L CB . 15855 1 1104 . 1 1 104 104 LEU CD1 C 13 26.978 0.2 . 2 . . . . 101 L CD1 . 15855 1 1105 . 1 1 104 104 LEU CD2 C 13 24.802 0.2 . 2 . . . . 101 L CD2 . 15855 1 1106 . 1 1 104 104 LEU CG C 13 27.688 0.2 . 1 . . . . 101 L CG . 15855 1 1107 . 1 1 104 104 LEU N N 15 118.611 0.1 . 1 . . . . 101 L N . 15855 1 1108 . 1 1 105 105 LEU H H 1 7.646 0.02 . 1 . . . . 102 L HN . 15855 1 1109 . 1 1 105 105 LEU HA H 1 4.311 0.02 . 1 . . . . 102 L HA . 15855 1 1110 . 1 1 105 105 LEU HB2 H 1 1.525 0.02 . 2 . . . . 102 L HB2 . 15855 1 1111 . 1 1 105 105 LEU HB3 H 1 1.705 0.02 . 2 . . . . 102 L HB3 . 15855 1 1112 . 1 1 105 105 LEU HD11 H 1 0.748 0.02 . 2 . . . . 102 L HD1 . 15855 1 1113 . 1 1 105 105 LEU HD12 H 1 0.748 0.02 . 2 . . . . 102 L HD1 . 15855 1 1114 . 1 1 105 105 LEU HD13 H 1 0.748 0.02 . 2 . . . . 102 L HD1 . 15855 1 1115 . 1 1 105 105 LEU HD21 H 1 0.799 0.02 . 2 . . . . 102 L HD2 . 15855 1 1116 . 1 1 105 105 LEU HD22 H 1 0.799 0.02 . 2 . . . . 102 L HD2 . 15855 1 1117 . 1 1 105 105 LEU HD23 H 1 0.799 0.02 . 2 . . . . 102 L HD2 . 15855 1 1118 . 1 1 105 105 LEU HG H 1 1.848 0.02 . 1 . . . . 102 L HG . 15855 1 1119 . 1 1 105 105 LEU C C 13 176.408 0.2 . 1 . . . . 102 L C . 15855 1 1120 . 1 1 105 105 LEU CA C 13 55.934 0.2 . 1 . . . . 102 L CA . 15855 1 1121 . 1 1 105 105 LEU CB C 13 42.304 0.2 . 1 . . . . 102 L CB . 15855 1 1122 . 1 1 105 105 LEU CD1 C 13 25.105 0.2 . 2 . . . . 102 L CD1 . 15855 1 1123 . 1 1 105 105 LEU CD2 C 13 23.963 0.2 . 2 . . . . 102 L CD2 . 15855 1 1124 . 1 1 105 105 LEU CG C 13 27.786 0.2 . 1 . . . . 102 L CG . 15855 1 1125 . 1 1 105 105 LEU N N 15 114.538 0.1 . 1 . . . . 102 L N . 15855 1 1126 . 1 1 106 106 LEU H H 1 7.655 0.02 . 1 . . . . 103 L HN . 15855 1 1127 . 1 1 106 106 LEU HA H 1 4.296 0.02 . 1 . . . . 103 L HA . 15855 1 1128 . 1 1 106 106 LEU HB2 H 1 1.527 0.02 . 2 . . . . 103 L HB2 . 15855 1 1129 . 1 1 106 106 LEU HB3 H 1 1.849 0.02 . 2 . . . . 103 L HB3 . 15855 1 1130 . 1 1 106 106 LEU HD11 H 1 0.830 0.02 . 2 . . . . 103 L HD1 . 15855 1 1131 . 1 1 106 106 LEU HD12 H 1 0.830 0.02 . 2 . . . . 103 L HD1 . 15855 1 1132 . 1 1 106 106 LEU HD13 H 1 0.830 0.02 . 2 . . . . 103 L HD1 . 15855 1 1133 . 1 1 106 106 LEU HD21 H 1 0.871 0.02 . 2 . . . . 103 L HD2 . 15855 1 1134 . 1 1 106 106 LEU HD22 H 1 0.871 0.02 . 2 . . . . 103 L HD2 . 15855 1 1135 . 1 1 106 106 LEU HD23 H 1 0.871 0.02 . 2 . . . . 103 L HD2 . 15855 1 1136 . 1 1 106 106 LEU HG H 1 1.607 0.02 . 1 . . . . 103 L HG . 15855 1 1137 . 1 1 106 106 LEU C C 13 177.321 0.2 . 1 . . . . 103 L C . 15855 1 1138 . 1 1 106 106 LEU CA C 13 55.705 0.2 . 1 . . . . 103 L CA . 15855 1 1139 . 1 1 106 106 LEU CB C 13 41.279 0.2 . 1 . . . . 103 L CB . 15855 1 1140 . 1 1 106 106 LEU CD1 C 13 23.716 0.2 . 2 . . . . 103 L CD1 . 15855 1 1141 . 1 1 106 106 LEU CD2 C 13 25.814 0.2 . 2 . . . . 103 L CD2 . 15855 1 1142 . 1 1 106 106 LEU CG C 13 27.263 0.2 . 1 . . . . 103 L CG . 15855 1 1143 . 1 1 106 106 LEU N N 15 117.293 0.1 . 1 . . . . 103 L N . 15855 1 1144 . 1 1 107 107 LEU H H 1 7.866 0.02 . 1 . . . . 104 L HN . 15855 1 1145 . 1 1 107 107 LEU HA H 1 4.286 0.02 . 1 . . . . 104 L HA . 15855 1 1146 . 1 1 107 107 LEU HB2 H 1 1.657 0.02 . 1 . . . . 104 L HB2 . 15855 1 1147 . 1 1 107 107 LEU HB3 H 1 1.657 0.02 . 1 . . . . 104 L HB3 . 15855 1 1148 . 1 1 107 107 LEU HD11 H 1 0.843 0.02 . 2 . . . . 104 L HD1 . 15855 1 1149 . 1 1 107 107 LEU HD12 H 1 0.843 0.02 . 2 . . . . 104 L HD1 . 15855 1 1150 . 1 1 107 107 LEU HD13 H 1 0.843 0.02 . 2 . . . . 104 L HD1 . 15855 1 1151 . 1 1 107 107 LEU HD21 H 1 0.899 0.02 . 2 . . . . 104 L HD2 . 15855 1 1152 . 1 1 107 107 LEU HD22 H 1 0.899 0.02 . 2 . . . . 104 L HD2 . 15855 1 1153 . 1 1 107 107 LEU HD23 H 1 0.899 0.02 . 2 . . . . 104 L HD2 . 15855 1 1154 . 1 1 107 107 LEU HG H 1 1.668 0.02 . 1 . . . . 104 L HG . 15855 1 1155 . 1 1 107 107 LEU C C 13 177.622 0.2 . 1 . . . . 104 L C . 15855 1 1156 . 1 1 107 107 LEU CA C 13 56.485 0.2 . 1 . . . . 104 L CA . 15855 1 1157 . 1 1 107 107 LEU CB C 13 42.990 0.2 . 1 . . . . 104 L CB . 15855 1 1158 . 1 1 107 107 LEU CD1 C 13 24.323 0.2 . 2 . . . . 104 L CD1 . 15855 1 1159 . 1 1 107 107 LEU CD2 C 13 26.063 0.2 . 2 . . . . 104 L CD2 . 15855 1 1160 . 1 1 107 107 LEU CG C 13 27.328 0.2 . 1 . . . . 104 L CG . 15855 1 1161 . 1 1 107 107 LEU N N 15 120.470 0.1 . 1 . . . . 104 L N . 15855 1 1162 . 1 1 108 108 GLU H H 1 8.299 0.02 . 1 . . . . 105 E HN . 15855 1 1163 . 1 1 108 108 GLU HA H 1 4.350 0.02 . 1 . . . . 105 E HA . 15855 1 1164 . 1 1 108 108 GLU HB2 H 1 1.920 0.02 . 1 . . . . 105 E HB2 . 15855 1 1165 . 1 1 108 108 GLU HB3 H 1 1.920 0.02 . 1 . . . . 105 E HB3 . 15855 1 1166 . 1 1 108 108 GLU HG2 H 1 2.214 0.02 . 1 . . . . 105 E HG2 . 15855 1 1167 . 1 1 108 108 GLU HG3 H 1 2.214 0.02 . 1 . . . . 105 E HG3 . 15855 1 1168 . 1 1 108 108 GLU C C 13 176.564 0.2 . 1 . . . . 105 E C . 15855 1 1169 . 1 1 108 108 GLU CA C 13 57.025 0.2 . 1 . . . . 105 E CA . 15855 1 1170 . 1 1 108 108 GLU CB C 13 30.921 0.2 . 1 . . . . 105 E CB . 15855 1 1171 . 1 1 108 108 GLU CG C 13 37.089 0.2 . 1 . . . . 105 E CG . 15855 1 1172 . 1 1 108 108 GLU N N 15 120.297 0.1 . 1 . . . . 105 E N . 15855 1 1173 . 1 1 109 109 THR H H 1 8.046 0.02 . 1 . . . . 106 T HN . 15855 1 1174 . 1 1 109 109 THR HA H 1 4.367 0.02 . 1 . . . . 106 T HA . 15855 1 1175 . 1 1 109 109 THR HB H 1 4.262 0.02 . 1 . . . . 106 T HB . 15855 1 1176 . 1 1 109 109 THR HG21 H 1 1.165 0.02 . 1 . . . . 106 T HG2 . 15855 1 1177 . 1 1 109 109 THR HG22 H 1 1.165 0.02 . 1 . . . . 106 T HG2 . 15855 1 1178 . 1 1 109 109 THR HG23 H 1 1.165 0.02 . 1 . . . . 106 T HG2 . 15855 1 1179 . 1 1 109 109 THR C C 13 174.450 0.2 . 1 . . . . 106 T C . 15855 1 1180 . 1 1 109 109 THR CA C 13 62.490 0.2 . 1 . . . . 106 T CA . 15855 1 1181 . 1 1 109 109 THR CB C 13 70.704 0.2 . 1 . . . . 106 T CB . 15855 1 1182 . 1 1 109 109 THR CG2 C 13 21.995 0.2 . 1 . . . . 106 T CG2 . 15855 1 1183 . 1 1 109 109 THR N N 15 114.071 0.1 . 1 . . . . 106 T N . 15855 1 1184 . 1 1 110 110 ASP H H 1 8.427 0.02 . 1 . . . . 107 D HN . 15855 1 1185 . 1 1 110 110 ASP HA H 1 4.561 0.02 . 1 . . . . 107 D HA . 15855 1 1186 . 1 1 110 110 ASP HB2 H 1 2.695 0.02 . 1 . . . . 107 D HB2 . 15855 1 1187 . 1 1 110 110 ASP HB3 H 1 2.695 0.02 . 1 . . . . 107 D HB3 . 15855 1 1188 . 1 1 110 110 ASP C C 13 175.850 0.2 . 1 . . . . 107 D C . 15855 1 1189 . 1 1 110 110 ASP CA C 13 55.051 0.2 . 1 . . . . 107 D CA . 15855 1 1190 . 1 1 110 110 ASP CB C 13 41.848 0.2 . 1 . . . . 107 D CB . 15855 1 1191 . 1 1 110 110 ASP N N 15 122.471 0.1 . 1 . . . . 107 D N . 15855 1 1192 . 1 1 111 111 ALA H H 1 8.208 0.02 . 1 . . . . 108 A HN . 15855 1 1193 . 1 1 111 111 ALA HA H 1 4.317 0.02 . 1 . . . . 108 A HA . 15855 1 1194 . 1 1 111 111 ALA HB1 H 1 1.397 0.02 . 1 . . . . 108 A HB . 15855 1 1195 . 1 1 111 111 ALA HB2 H 1 1.397 0.02 . 1 . . . . 108 A HB . 15855 1 1196 . 1 1 111 111 ALA HB3 H 1 1.397 0.02 . 1 . . . . 108 A HB . 15855 1 1197 . 1 1 111 111 ALA C C 13 177.855 0.2 . 1 . . . . 108 A C . 15855 1 1198 . 1 1 111 111 ALA CA C 13 53.361 0.2 . 1 . . . . 108 A CA . 15855 1 1199 . 1 1 111 111 ALA CB C 13 20.114 0.2 . 1 . . . . 108 A CB . 15855 1 1200 . 1 1 111 111 ALA N N 15 123.922 0.1 . 1 . . . . 108 A N . 15855 1 1201 . 1 1 112 112 GLY H H 1 8.173 0.02 . 1 . . . . 109 G HN . 15855 1 1202 . 1 1 112 112 GLY HA2 H 1 3.661 0.02 . 2 . . . . 109 G HA2 . 15855 1 1203 . 1 1 112 112 GLY HA3 H 1 4.109 0.02 . 2 . . . . 109 G HA3 . 15855 1 1204 . 1 1 112 112 GLY C C 13 172.125 0.2 . 1 . . . . 109 G C . 15855 1 1205 . 1 1 112 112 GLY CA C 13 45.167 0.2 . 1 . . . . 109 G CA . 15855 1 1206 . 1 1 112 112 GLY N N 15 107.991 0.1 . 1 . . . . 109 G N . 15855 1 1207 . 1 1 113 113 PRO HA H 1 4.419 0.02 . 1 . . . . 110 P HA . 15855 1 1208 . 1 1 113 113 PRO HB2 H 1 1.916 0.02 . 2 . . . . 110 P HB2 . 15855 1 1209 . 1 1 113 113 PRO HB3 H 1 2.241 0.02 . 2 . . . . 110 P HB3 . 15855 1 1210 . 1 1 113 113 PRO HD2 H 1 3.505 0.02 . 2 . . . . 110 P HD2 . 15855 1 1211 . 1 1 113 113 PRO HD3 H 1 3.542 0.02 . 2 . . . . 110 P HD3 . 15855 1 1212 . 1 1 113 113 PRO HG2 H 1 1.983 0.02 . 1 . . . . 110 P HG2 . 15855 1 1213 . 1 1 113 113 PRO HG3 H 1 1.983 0.02 . 1 . . . . 110 P HG3 . 15855 1 1214 . 1 1 113 113 PRO C C 13 177.045 0.2 . 1 . . . . 110 P C . 15855 1 1215 . 1 1 113 113 PRO CA C 13 63.981 0.2 . 1 . . . . 110 P CA . 15855 1 1216 . 1 1 113 113 PRO CB C 13 32.658 0.2 . 1 . . . . 110 P CB . 15855 1 1217 . 1 1 113 113 PRO CD C 13 50.332 0.2 . 1 . . . . 110 P CD . 15855 1 1218 . 1 1 113 113 PRO CG C 13 27.928 0.2 . 1 . . . . 110 P CG . 15855 1 1219 . 1 1 114 114 ALA H H 1 8.386 0.02 . 1 . . . . 111 A HN . 15855 1 1220 . 1 1 114 114 ALA HA H 1 4.320 0.02 . 1 . . . . 111 A HA . 15855 1 1221 . 1 1 114 114 ALA HB1 H 1 1.392 0.02 . 1 . . . . 111 A HB . 15855 1 1222 . 1 1 114 114 ALA HB2 H 1 1.392 0.02 . 1 . . . . 111 A HB . 15855 1 1223 . 1 1 114 114 ALA HB3 H 1 1.392 0.02 . 1 . . . . 111 A HB . 15855 1 1224 . 1 1 114 114 ALA C C 13 177.749 0.2 . 1 . . . . 111 A C . 15855 1 1225 . 1 1 114 114 ALA CA C 13 53.084 0.2 . 1 . . . . 111 A CA . 15855 1 1226 . 1 1 114 114 ALA CB C 13 19.583 0.2 . 1 . . . . 111 A CB . 15855 1 1227 . 1 1 114 114 ALA N N 15 123.596 0.1 . 1 . . . . 111 A N . 15855 1 1228 . 1 1 115 115 ALA H H 1 8.210 0.02 . 1 . . . . 112 A HN . 15855 1 1229 . 1 1 115 115 ALA HA H 1 4.294 0.02 . 1 . . . . 112 A HA . 15855 1 1230 . 1 1 115 115 ALA HB1 H 1 1.404 0.02 . 1 . . . . 112 A HB . 15855 1 1231 . 1 1 115 115 ALA HB2 H 1 1.404 0.02 . 1 . . . . 112 A HB . 15855 1 1232 . 1 1 115 115 ALA HB3 H 1 1.404 0.02 . 1 . . . . 112 A HB . 15855 1 1233 . 1 1 115 115 ALA C C 13 177.903 0.2 . 1 . . . . 112 A C . 15855 1 1234 . 1 1 115 115 ALA CA C 13 52.936 0.2 . 1 . . . . 112 A CA . 15855 1 1235 . 1 1 115 115 ALA CB C 13 19.758 0.2 . 1 . . . . 112 A CB . 15855 1 1236 . 1 1 115 115 ALA N N 15 122.899 0.1 . 1 . . . . 112 A N . 15855 1 1237 . 1 1 116 116 SER H H 1 8.205 0.02 . 1 . . . . 113 S HN . 15855 1 1238 . 1 1 116 116 SER HA H 1 4.400 0.02 . 1 . . . . 113 S HA . 15855 1 1239 . 1 1 116 116 SER HB2 H 1 3.886 0.02 . 1 . . . . 113 S HB2 . 15855 1 1240 . 1 1 116 116 SER HB3 H 1 3.886 0.02 . 1 . . . . 113 S HB3 . 15855 1 1241 . 1 1 116 116 SER C C 13 176.188 0.2 . 1 . . . . 113 S C . 15855 1 1242 . 1 1 116 116 SER CA C 13 59.067 0.2 . 1 . . . . 113 S CA . 15855 1 1243 . 1 1 116 116 SER CB C 13 64.446 0.2 . 1 . . . . 113 S CB . 15855 1 1244 . 1 1 116 116 SER N N 15 114.645 0.1 . 1 . . . . 113 S N . 15855 1 1245 . 1 1 117 117 GLU H H 1 8.416 0.02 . 1 . . . . 114 E HN . 15855 1 1246 . 1 1 117 117 GLU HA H 1 4.289 0.02 . 1 . . . . 114 E HA . 15855 1 1247 . 1 1 117 117 GLU HB2 H 1 2.004 0.02 . 1 . . . . 114 E HB2 . 15855 1 1248 . 1 1 117 117 GLU HB3 H 1 2.004 0.02 . 1 . . . . 114 E HB3 . 15855 1 1249 . 1 1 117 117 GLU HG2 H 1 2.251 0.02 . 1 . . . . 114 E HG2 . 15855 1 1250 . 1 1 117 117 GLU HG3 H 1 2.251 0.02 . 1 . . . . 114 E HG3 . 15855 1 1251 . 1 1 117 117 GLU C C 13 177.012 0.2 . 1 . . . . 114 E C . 15855 1 1252 . 1 1 117 117 GLU CA C 13 57.215 0.2 . 1 . . . . 114 E CA . 15855 1 1253 . 1 1 117 117 GLU CB C 13 30.707 0.2 . 1 . . . . 114 E CB . 15855 1 1254 . 1 1 117 117 GLU CG C 13 36.768 0.2 . 1 . . . . 114 E CG . 15855 1 1255 . 1 1 117 117 GLU N N 15 122.203 0.1 . 1 . . . . 114 E N . 15855 1 1256 . 1 1 118 118 GLY H H 1 8.441 0.02 . 1 . . . . 115 G HN . 15855 1 1257 . 1 1 118 118 GLY HA2 H 1 3.964 0.02 . 2 . . . . 115 G HA2 . 15855 1 1258 . 1 1 118 118 GLY HA3 H 1 3.985 0.02 . 2 . . . . 115 G HA3 . 15855 1 1259 . 1 1 118 118 GLY C C 13 173.843 0.2 . 1 . . . . 115 G C . 15855 1 1260 . 1 1 118 118 GLY CA C 13 46.020 0.2 . 1 . . . . 115 G CA . 15855 1 1261 . 1 1 118 118 GLY N N 15 110.219 0.1 . 1 . . . . 115 G N . 15855 1 1262 . 1 1 119 119 ALA H H 1 8.032 0.02 . 1 . . . . 116 A HN . 15855 1 1263 . 1 1 119 119 ALA HA H 1 4.349 0.02 . 1 . . . . 116 A HA . 15855 1 1264 . 1 1 119 119 ALA HB1 H 1 1.368 0.02 . 1 . . . . 116 A HB . 15855 1 1265 . 1 1 119 119 ALA HB2 H 1 1.368 0.02 . 1 . . . . 116 A HB . 15855 1 1266 . 1 1 119 119 ALA HB3 H 1 1.368 0.02 . 1 . . . . 116 A HB . 15855 1 1267 . 1 1 119 119 ALA C C 13 177.642 0.2 . 1 . . . . 116 A C . 15855 1 1268 . 1 1 119 119 ALA CA C 13 52.978 0.2 . 1 . . . . 116 A CA . 15855 1 1269 . 1 1 119 119 ALA CB C 13 20.127 0.2 . 1 . . . . 116 A CB . 15855 1 1270 . 1 1 119 119 ALA N N 15 123.498 0.1 . 1 . . . . 116 A N . 15855 1 1271 . 1 1 120 120 GLU H H 1 8.459 0.02 . 1 . . . . 117 E HN . 15855 1 1272 . 1 1 120 120 GLU HA H 1 4.233 0.02 . 1 . . . . 117 E HA . 15855 1 1273 . 1 1 120 120 GLU HB2 H 1 1.966 0.02 . 1 . . . . 117 E HB2 . 15855 1 1274 . 1 1 120 120 GLU HB3 H 1 1.966 0.02 . 1 . . . . 117 E HB3 . 15855 1 1275 . 1 1 120 120 GLU HG2 H 1 2.256 0.02 . 1 . . . . 117 E HG2 . 15855 1 1276 . 1 1 120 120 GLU HG3 H 1 2.256 0.02 . 1 . . . . 117 E HG3 . 15855 1 1277 . 1 1 120 120 GLU C C 13 176.358 0.2 . 1 . . . . 117 E C . 15855 1 1278 . 1 1 120 120 GLU CA C 13 57.390 0.2 . 1 . . . . 117 E CA . 15855 1 1279 . 1 1 120 120 GLU CB C 13 30.467 0.2 . 1 . . . . 117 E CB . 15855 1 1280 . 1 1 120 120 GLU CG C 13 37.005 0.2 . 1 . . . . 117 E CG . 15855 1 1281 . 1 1 120 120 GLU N N 15 120.187 0.1 . 1 . . . . 117 E N . 15855 1 1282 . 1 1 121 121 GLN H H 1 8.274 0.02 . 1 . . . . 118 Q HN . 15855 1 1283 . 1 1 121 121 GLN HA H 1 4.203 0.02 . 1 . . . . 118 Q HA . 15855 1 1284 . 1 1 121 121 GLN HB2 H 1 1.879 0.02 . 1 . . . . 118 Q HB2 . 15855 1 1285 . 1 1 121 121 GLN HB3 H 1 1.879 0.02 . 1 . . . . 118 Q HB3 . 15855 1 1286 . 1 1 121 121 GLN HG2 H 1 2.274 0.02 . 1 . . . . 118 Q HG2 . 15855 1 1287 . 1 1 121 121 GLN HG3 H 1 2.274 0.02 . 1 . . . . 118 Q HG3 . 15855 1 1288 . 1 1 121 121 GLN C C 13 171.764 0.2 . 1 . . . . 118 Q C . 15855 1 1289 . 1 1 121 121 GLN CA C 13 57.463 0.2 . 1 . . . . 118 Q CA . 15855 1 1290 . 1 1 121 121 GLN CB C 13 30.816 0.2 . 1 . . . . 118 Q CB . 15855 1 1291 . 1 1 121 121 GLN CG C 13 36.908 0.2 . 1 . . . . 118 Q CG . 15855 1 1292 . 1 1 121 121 GLN N N 15 121.455 0.1 . 1 . . . . 118 Q N . 15855 1 1293 . 1 1 122 122 PRO HD2 H 1 3.506 0.02 . 2 . . . . 119 P HD2 . 15855 1 1294 . 1 1 122 122 PRO HD3 H 1 3.541 0.02 . 2 . . . . 119 P HD3 . 15855 1 1295 . 1 1 122 122 PRO CD C 13 50.141 0.2 . 1 . . . . 119 P CD . 15855 1 1296 . 1 1 123 123 PRO HA H 1 4.081 0.02 . 1 . . . . 120 P HA . 15855 1 1297 . 1 1 123 123 PRO HD2 H 1 3.608 0.02 . 2 . . . . 120 P HD2 . 15855 1 1298 . 1 1 123 123 PRO HD3 H 1 3.634 0.02 . 2 . . . . 120 P HD3 . 15855 1 1299 . 1 1 123 123 PRO C C 13 175.876 0.2 . 1 . . . . 120 P C . 15855 1 1300 . 1 1 123 123 PRO CA C 13 63.269 0.2 . 1 . . . . 120 P CA . 15855 1 1301 . 1 1 123 123 PRO CD C 13 50.557 0.2 . 1 . . . . 120 P CD . 15855 1 1302 . 1 1 124 124 ASP H H 1 8.116 0.02 . 1 . . . . 121 D HN . 15855 1 1303 . 1 1 124 124 ASP C C 13 174.135 0.2 . 1 . . . . 121 D C . 15855 1 1304 . 1 1 124 124 ASP CA C 13 54.840 0.2 . 1 . . . . 121 D CA . 15855 1 1305 . 1 1 124 124 ASP CB C 13 44.063 0.2 . 1 . . . . 121 D CB . 15855 1 1306 . 1 1 124 124 ASP N N 15 119.169 0.1 . 1 . . . . 121 D N . 15855 1 1307 . 1 1 125 125 LEU H H 1 8.049 0.02 . 1 . . . . 122 L HN . 15855 1 1308 . 1 1 125 125 LEU HA H 1 4.403 0.02 . 1 . . . . 122 L HA . 15855 1 1309 . 1 1 125 125 LEU C C 13 176.454 0.2 . 1 . . . . 122 L C . 15855 1 1310 . 1 1 125 125 LEU CA C 13 53.488 0.2 . 1 . . . . 122 L CA . 15855 1 1311 . 1 1 125 125 LEU CB C 13 41.907 0.2 . 1 . . . . 122 L CB . 15855 1 1312 . 1 1 125 125 LEU N N 15 121.520 0.1 . 1 . . . . 122 L N . 15855 1 1313 . 1 1 126 126 HIS H H 1 8.624 0.02 . 1 . . . . 123 H HN . 15855 1 1314 . 1 1 126 126 HIS HA H 1 5.110 0.02 . 1 . . . . 123 H HA . 15855 1 1315 . 1 1 126 126 HIS HB2 H 1 3.382 0.02 . 2 . . . . 123 H HB2 . 15855 1 1316 . 1 1 126 126 HIS HB3 H 1 3.697 0.02 . 2 . . . . 123 H HB3 . 15855 1 1317 . 1 1 126 126 HIS HD2 H 1 7.727 0.02 . 1 . . . . 123 H HD2 . 15855 1 1318 . 1 1 126 126 HIS HE1 H 1 7.885 0.02 . 1 . . . . 123 H HE1 . 15855 1 1319 . 1 1 126 126 HIS C C 13 174.914 0.2 . 1 . . . . 123 H C . 15855 1 1320 . 1 1 126 126 HIS CA C 13 58.941 0.2 . 1 . . . . 123 H CA . 15855 1 1321 . 1 1 126 126 HIS CB C 13 29.831 0.2 . 1 . . . . 123 H CB . 15855 1 1322 . 1 1 126 126 HIS CD2 C 13 121.000 0.2 . 1 . . . . 123 H CD2 . 15855 1 1323 . 1 1 126 126 HIS CE1 C 13 138.292 0.2 . 1 . . . . 123 H CE1 . 15855 1 1324 . 1 1 126 126 HIS N N 15 113.493 0.1 . 1 . . . . 123 H N . 15855 1 1325 . 1 1 127 127 CYS H H 1 7.110 0.02 . 1 . . . . 124 C HN . 15855 1 1326 . 1 1 127 127 CYS HA H 1 5.469 0.02 . 1 . . . . 124 C HA . 15855 1 1327 . 1 1 127 127 CYS HB2 H 1 2.740 0.02 . 1 . . . . 124 C HB2 . 15855 1 1328 . 1 1 127 127 CYS HB3 H 1 2.740 0.02 . 1 . . . . 124 C HB3 . 15855 1 1329 . 1 1 127 127 CYS C C 13 172.378 0.2 . 1 . . . . 124 C C . 15855 1 1330 . 1 1 127 127 CYS CA C 13 57.376 0.2 . 1 . . . . 124 C CA . 15855 1 1331 . 1 1 127 127 CYS CB C 13 30.974 0.2 . 1 . . . . 124 C CB . 15855 1 1332 . 1 1 127 127 CYS N N 15 114.283 0.1 . 1 . . . . 124 C N . 15855 1 1333 . 1 1 128 128 VAL H H 1 9.069 0.02 . 1 . . . . 125 V HN . 15855 1 1334 . 1 1 128 128 VAL HA H 1 4.832 0.02 . 1 . . . . 125 V HA . 15855 1 1335 . 1 1 128 128 VAL HB H 1 1.828 0.02 . 1 . . . . 125 V HB . 15855 1 1336 . 1 1 128 128 VAL HG11 H 1 0.843 0.02 . 2 . . . . 125 V HG1 . 15855 1 1337 . 1 1 128 128 VAL HG12 H 1 0.843 0.02 . 2 . . . . 125 V HG1 . 15855 1 1338 . 1 1 128 128 VAL HG13 H 1 0.843 0.02 . 2 . . . . 125 V HG1 . 15855 1 1339 . 1 1 128 128 VAL HG21 H 1 0.917 0.02 . 2 . . . . 125 V HG2 . 15855 1 1340 . 1 1 128 128 VAL HG22 H 1 0.917 0.02 . 2 . . . . 125 V HG2 . 15855 1 1341 . 1 1 128 128 VAL HG23 H 1 0.917 0.02 . 2 . . . . 125 V HG2 . 15855 1 1342 . 1 1 128 128 VAL C C 13 173.968 0.2 . 1 . . . . 125 V C . 15855 1 1343 . 1 1 128 128 VAL CA C 13 61.338 0.2 . 1 . . . . 125 V CA . 15855 1 1344 . 1 1 128 128 VAL CB C 13 37.046 0.2 . 1 . . . . 125 V CB . 15855 1 1345 . 1 1 128 128 VAL CG1 C 13 22.230 0.2 . 2 . . . . 125 V CG1 . 15855 1 1346 . 1 1 128 128 VAL CG2 C 13 22.573 0.2 . 2 . . . . 125 V CG2 . 15855 1 1347 . 1 1 128 128 VAL N N 15 128.234 0.1 . 1 . . . . 125 V N . 15855 1 1348 . 1 1 129 129 LEU H H 1 9.265 0.02 . 1 . . . . 126 L HN . 15855 1 1349 . 1 1 129 129 LEU HA H 1 5.402 0.02 . 1 . . . . 126 L HA . 15855 1 1350 . 1 1 129 129 LEU HB2 H 1 1.534 0.02 . 2 . . . . 126 L HB2 . 15855 1 1351 . 1 1 129 129 LEU HB3 H 1 1.568 0.02 . 2 . . . . 126 L HB3 . 15855 1 1352 . 1 1 129 129 LEU HD11 H 1 0.656 0.02 . 2 . . . . 126 L HD1 . 15855 1 1353 . 1 1 129 129 LEU HD12 H 1 0.656 0.02 . 2 . . . . 126 L HD1 . 15855 1 1354 . 1 1 129 129 LEU HD13 H 1 0.656 0.02 . 2 . . . . 126 L HD1 . 15855 1 1355 . 1 1 129 129 LEU C C 13 175.994 0.2 . 1 . . . . 126 L C . 15855 1 1356 . 1 1 129 129 LEU CA C 13 53.357 0.2 . 1 . . . . 126 L CA . 15855 1 1357 . 1 1 129 129 LEU CB C 13 44.155 0.2 . 1 . . . . 126 L CB . 15855 1 1358 . 1 1 129 129 LEU CD1 C 13 22.512 0.2 . 2 . . . . 126 L CD1 . 15855 1 1359 . 1 1 129 129 LEU N N 15 122.491 0.1 . 1 . . . . 126 L N . 15855 1 1360 . 1 1 130 130 VAL H H 1 8.669 0.02 . 1 . . . . 127 V HN . 15855 1 1361 . 1 1 130 130 VAL HA H 1 4.676 0.02 . 1 . . . . 127 V HA . 15855 1 1362 . 1 1 130 130 VAL HB H 1 1.739 0.02 . 1 . . . . 127 V HB . 15855 1 1363 . 1 1 130 130 VAL HG11 H 1 0.653 0.02 . 2 . . . . 127 V HG1 . 15855 1 1364 . 1 1 130 130 VAL HG12 H 1 0.653 0.02 . 2 . . . . 127 V HG1 . 15855 1 1365 . 1 1 130 130 VAL HG13 H 1 0.653 0.02 . 2 . . . . 127 V HG1 . 15855 1 1366 . 1 1 130 130 VAL HG21 H 1 0.814 0.02 . 2 . . . . 127 V HG2 . 15855 1 1367 . 1 1 130 130 VAL HG22 H 1 0.814 0.02 . 2 . . . . 127 V HG2 . 15855 1 1368 . 1 1 130 130 VAL HG23 H 1 0.814 0.02 . 2 . . . . 127 V HG2 . 15855 1 1369 . 1 1 130 130 VAL C C 13 176.145 0.2 . 1 . . . . 127 V C . 15855 1 1370 . 1 1 130 130 VAL CA C 13 62.218 0.2 . 1 . . . . 127 V CA . 15855 1 1371 . 1 1 130 130 VAL CB C 13 33.672 0.2 . 1 . . . . 127 V CB . 15855 1 1372 . 1 1 130 130 VAL CG1 C 13 21.232 0.2 . 2 . . . . 127 V CG1 . 15855 1 1373 . 1 1 130 130 VAL CG2 C 13 22.389 0.2 . 2 . . . . 127 V CG2 . 15855 1 1374 . 1 1 130 130 VAL N N 15 122.090 0.1 . 1 . . . . 127 V N . 15855 1 1375 . 1 1 131 131 THR H H 1 8.359 0.02 . 1 . . . . 128 T HN . 15855 1 1376 . 1 1 131 131 THR HA H 1 5.308 0.02 . 1 . . . . 128 T HA . 15855 1 1377 . 1 1 131 131 THR HB H 1 4.351 0.02 . 1 . . . . 128 T HB . 15855 1 1378 . 1 1 131 131 THR HG21 H 1 0.935 0.02 . 1 . . . . 128 T HG2 . 15855 1 1379 . 1 1 131 131 THR HG22 H 1 0.935 0.02 . 1 . . . . 128 T HG2 . 15855 1 1380 . 1 1 131 131 THR HG23 H 1 0.935 0.02 . 1 . . . . 128 T HG2 . 15855 1 1381 . 1 1 131 131 THR C C 13 174.089 0.2 . 1 . . . . 128 T C . 15855 1 1382 . 1 1 131 131 THR CA C 13 60.589 0.2 . 1 . . . . 128 T CA . 15855 1 1383 . 1 1 131 131 THR CB C 13 71.963 0.2 . 1 . . . . 128 T CB . 15855 1 1384 . 1 1 131 131 THR CG2 C 13 22.614 0.2 . 1 . . . . 128 T CG2 . 15855 1 1385 . 1 1 131 131 THR N N 15 119.013 0.1 . 1 . . . . 128 T N . 15855 1 1386 . 1 1 132 132 ASN H H 1 8.159 0.02 . 1 . . . . 129 N HN . 15855 1 1387 . 1 1 132 132 ASN HA H 1 5.061 0.02 . 1 . . . . 129 N HA . 15855 1 1388 . 1 1 132 132 ASN HB2 H 1 2.690 0.02 . 2 . . . . 129 N HB2 . 15855 1 1389 . 1 1 132 132 ASN HB3 H 1 2.987 0.02 . 2 . . . . 129 N HB3 . 15855 1 1390 . 1 1 132 132 ASN HD21 H 1 7.063 0.02 . 2 . . . . 129 N HD21 . 15855 1 1391 . 1 1 132 132 ASN HD22 H 1 7.690 0.02 . 2 . . . . 129 N HD22 . 15855 1 1392 . 1 1 132 132 ASN CA C 13 52.531 0.2 . 1 . . . . 129 N CA . 15855 1 1393 . 1 1 132 132 ASN CB C 13 40.052 0.2 . 1 . . . . 129 N CB . 15855 1 1394 . 1 1 132 132 ASN N N 15 115.566 0.1 . 1 . . . . 129 N N . 15855 1 1395 . 1 1 132 132 ASN ND2 N 15 112.428 0.1 . 1 . . . . 129 N ND2 . 15855 1 1396 . 1 1 133 133 PRO HD2 H 1 3.497 0.02 . 2 . . . . 130 P HD2 . 15855 1 1397 . 1 1 133 133 PRO HD3 H 1 3.547 0.02 . 2 . . . . 130 P HD3 . 15855 1 1398 . 1 1 133 133 PRO CD C 13 50.983 0.2 . 1 . . . . 130 P CD . 15855 1 1399 . 1 1 138 138 TRP HD1 H 1 7.496 0.02 . 1 . . . . 135 W HD1 . 15855 1 1400 . 1 1 138 138 TRP HE1 H 1 10.268 0.02 . 1 . . . . 135 W HE1 . 15855 1 1401 . 1 1 138 138 TRP HE3 H 1 7.538 0.02 . 1 . . . . 135 W HE3 . 15855 1 1402 . 1 1 138 138 TRP HH2 H 1 7.173 0.02 . 1 . . . . 135 W HH2 . 15855 1 1403 . 1 1 138 138 TRP HZ2 H 1 7.349 0.02 . 1 . . . . 135 W HZ2 . 15855 1 1404 . 1 1 138 138 TRP HZ3 H 1 7.039 0.02 . 1 . . . . 135 W HZ3 . 15855 1 1405 . 1 1 138 138 TRP CD1 C 13 126.913 0.2 . 1 . . . . 135 W CD1 . 15855 1 1406 . 1 1 138 138 TRP CE3 C 13 120.764 0.2 . 1 . . . . 135 W CE3 . 15855 1 1407 . 1 1 138 138 TRP CH2 C 13 124.134 0.2 . 1 . . . . 135 W CH2 . 15855 1 1408 . 1 1 138 138 TRP CZ2 C 13 114.322 0.2 . 1 . . . . 135 W CZ2 . 15855 1 1409 . 1 1 138 138 TRP CZ3 C 13 121.451 0.2 . 1 . . . . 135 W CZ3 . 15855 1 1410 . 1 1 138 138 TRP NE1 N 15 129.336 0.1 . 1 . . . . 135 W NE1 . 15855 1 1411 . 1 1 141 141 PRO HA H 1 3.966 0.02 . 1 . . . . 138 P HA . 15855 1 1412 . 1 1 141 141 PRO HB2 H 1 2.055 0.02 . 1 . . . . 138 P HB2 . 15855 1 1413 . 1 1 141 141 PRO HB3 H 1 2.055 0.02 . 1 . . . . 138 P HB3 . 15855 1 1414 . 1 1 141 141 PRO HD2 H 1 3.619 0.02 . 1 . . . . 138 P HD2 . 15855 1 1415 . 1 1 141 141 PRO HD3 H 1 3.619 0.02 . 1 . . . . 138 P HD3 . 15855 1 1416 . 1 1 141 141 PRO HG2 H 1 2.296 0.02 . 2 . . . . 138 P HG2 . 15855 1 1417 . 1 1 141 141 PRO HG3 H 1 2.388 0.02 . 2 . . . . 138 P HG3 . 15855 1 1418 . 1 1 141 141 PRO C C 13 178.709 0.2 . 1 . . . . 138 P C . 15855 1 1419 . 1 1 141 141 PRO CA C 13 65.713 0.2 . 1 . . . . 138 P CA . 15855 1 1420 . 1 1 141 141 PRO CB C 13 32.668 0.2 . 1 . . . . 138 P CB . 15855 1 1421 . 1 1 141 141 PRO CD C 13 50.720 0.2 . 1 . . . . 138 P CD . 15855 1 1422 . 1 1 141 141 PRO CG C 13 27.941 0.2 . 1 . . . . 138 P CG . 15855 1 1423 . 1 1 142 142 ALA H H 1 8.465 0.02 . 1 . . . . 139 A HN . 15855 1 1424 . 1 1 142 142 ALA HA H 1 4.256 0.02 . 1 . . . . 139 A HA . 15855 1 1425 . 1 1 142 142 ALA HB1 H 1 1.489 0.02 . 1 . . . . 139 A HB . 15855 1 1426 . 1 1 142 142 ALA HB2 H 1 1.489 0.02 . 1 . . . . 139 A HB . 15855 1 1427 . 1 1 142 142 ALA HB3 H 1 1.489 0.02 . 1 . . . . 139 A HB . 15855 1 1428 . 1 1 142 142 ALA C C 13 179.436 0.2 . 1 . . . . 139 A C . 15855 1 1429 . 1 1 142 142 ALA CA C 13 56.112 0.2 . 1 . . . . 139 A CA . 15855 1 1430 . 1 1 142 142 ALA CB C 13 18.744 0.2 . 1 . . . . 139 A CB . 15855 1 1431 . 1 1 142 142 ALA N N 15 122.521 0.1 . 1 . . . . 139 A N . 15855 1 1432 . 1 1 143 143 LEU H H 1 7.736 0.02 . 1 . . . . 140 L HN . 15855 1 1433 . 1 1 143 143 LEU HA H 1 3.941 0.02 . 1 . . . . 140 L HA . 15855 1 1434 . 1 1 143 143 LEU HB2 H 1 1.262 0.02 . 4 . . . . 140 L HB2 . 15855 1 1435 . 1 1 143 143 LEU HB3 H 1 1.546 0.02 . 4 . . . . 140 L HB3 . 15855 1 1436 . 1 1 143 143 LEU HD11 H 1 0.672 0.02 . 2 . . . . 140 L HD1 . 15855 1 1437 . 1 1 143 143 LEU HD12 H 1 0.672 0.02 . 2 . . . . 140 L HD1 . 15855 1 1438 . 1 1 143 143 LEU HD13 H 1 0.672 0.02 . 2 . . . . 140 L HD1 . 15855 1 1439 . 1 1 143 143 LEU HD21 H 1 0.881 0.02 . 2 . . . . 140 L HD2 . 15855 1 1440 . 1 1 143 143 LEU HD22 H 1 0.881 0.02 . 2 . . . . 140 L HD2 . 15855 1 1441 . 1 1 143 143 LEU HD23 H 1 0.881 0.02 . 2 . . . . 140 L HD2 . 15855 1 1442 . 1 1 143 143 LEU HG H 1 1.742 0.02 . 4 . . . . 140 L HG . 15855 1 1443 . 1 1 143 143 LEU C C 13 179.219 0.2 . 1 . . . . 140 L C . 15855 1 1444 . 1 1 143 143 LEU CA C 13 58.241 0.2 . 1 . . . . 140 L CA . 15855 1 1445 . 1 1 143 143 LEU CB C 13 41.657 0.2 . 1 . . . . 140 L CB . 15855 1 1446 . 1 1 143 143 LEU CD1 C 13 26.508 0.2 . 2 . . . . 140 L CD1 . 15855 1 1447 . 1 1 143 143 LEU CG C 13 26.290 0.2 . 1 . . . . 140 L CG . 15855 1 1448 . 1 1 143 143 LEU N N 15 118.474 0.1 . 1 . . . . 140 L N . 15855 1 1449 . 1 1 144 144 SER H H 1 8.322 0.02 . 1 . . . . 141 S HN . 15855 1 1450 . 1 1 144 144 SER HA H 1 3.951 0.02 . 1 . . . . 141 S HA . 15855 1 1451 . 1 1 144 144 SER HB2 H 1 3.907 0.02 . 2 . . . . 141 S HB2 . 15855 1 1452 . 1 1 144 144 SER HB3 H 1 4.319 0.02 . 2 . . . . 141 S HB3 . 15855 1 1453 . 1 1 144 144 SER C C 13 176.724 0.2 . 1 . . . . 141 S C . 15855 1 1454 . 1 1 144 144 SER CA C 13 63.295 0.2 . 1 . . . . 141 S CA . 15855 1 1455 . 1 1 144 144 SER CB C 13 65.976 0.2 . 1 . . . . 141 S CB . 15855 1 1456 . 1 1 144 144 SER N N 15 113.871 0.1 . 1 . . . . 141 S N . 15855 1 1457 . 1 1 145 145 GLN H H 1 7.911 0.02 . 1 . . . . 142 Q HN . 15855 1 1458 . 1 1 145 145 GLN HA H 1 4.072 0.02 . 1 . . . . 142 Q HA . 15855 1 1459 . 1 1 145 145 GLN HB2 H 1 2.066 0.02 . 2 . . . . 142 Q HB2 . 15855 1 1460 . 1 1 145 145 GLN HB3 H 1 2.237 0.02 . 2 . . . . 142 Q HB3 . 15855 1 1461 . 1 1 145 145 GLN HE21 H 1 7.210 0.02 . 2 . . . . 142 Q HE21 . 15855 1 1462 . 1 1 145 145 GLN HE22 H 1 6.737 0.02 . 2 . . . . 142 Q HE22 . 15855 1 1463 . 1 1 145 145 GLN HG2 H 1 2.330 0.02 . 1 . . . . 142 Q HG2 . 15855 1 1464 . 1 1 145 145 GLN HG3 H 1 2.330 0.02 . 1 . . . . 142 Q HG3 . 15855 1 1465 . 1 1 145 145 GLN C C 13 179.088 0.2 . 1 . . . . 142 Q C . 15855 1 1466 . 1 1 145 145 GLN CA C 13 59.722 0.2 . 1 . . . . 142 Q CA . 15855 1 1467 . 1 1 145 145 GLN CB C 13 29.268 0.2 . 1 . . . . 142 Q CB . 15855 1 1468 . 1 1 145 145 GLN CG C 13 34.594 0.2 . 1 . . . . 142 Q CG . 15855 1 1469 . 1 1 145 145 GLN N N 15 121.070 0.1 . 1 . . . . 142 Q N . 15855 1 1470 . 1 1 145 145 GLN NE2 N 15 110.029 0.1 . 1 . . . . 142 Q NE2 . 15855 1 1471 . 1 1 146 146 LEU H H 1 7.689 0.02 . 1 . . . . 143 L HN . 15855 1 1472 . 1 1 146 146 LEU HA H 1 4.081 0.02 . 1 . . . . 143 L HA . 15855 1 1473 . 1 1 146 146 LEU HB2 H 1 1.388 0.02 . 2 . . . . 143 L HB2 . 15855 1 1474 . 1 1 146 146 LEU HB3 H 1 1.528 0.02 . 2 . . . . 143 L HB3 . 15855 1 1475 . 1 1 146 146 LEU HD11 H 1 0.729 0.02 . 2 . . . . 143 L HD1 . 15855 1 1476 . 1 1 146 146 LEU HD12 H 1 0.729 0.02 . 2 . . . . 143 L HD1 . 15855 1 1477 . 1 1 146 146 LEU HD13 H 1 0.729 0.02 . 2 . . . . 143 L HD1 . 15855 1 1478 . 1 1 146 146 LEU HD21 H 1 0.740 0.02 . 2 . . . . 143 L HD2 . 15855 1 1479 . 1 1 146 146 LEU HD22 H 1 0.740 0.02 . 2 . . . . 143 L HD2 . 15855 1 1480 . 1 1 146 146 LEU HD23 H 1 0.740 0.02 . 2 . . . . 143 L HD2 . 15855 1 1481 . 1 1 146 146 LEU HG H 1 1.810 0.02 . 1 . . . . 143 L HG . 15855 1 1482 . 1 1 146 146 LEU C C 13 178.485 0.2 . 1 . . . . 143 L C . 15855 1 1483 . 1 1 146 146 LEU CA C 13 58.471 0.2 . 1 . . . . 143 L CA . 15855 1 1484 . 1 1 146 146 LEU CB C 13 42.606 0.2 . 1 . . . . 143 L CB . 15855 1 1485 . 1 1 146 146 LEU CD1 C 13 25.124 0.2 . 2 . . . . 143 L CD1 . 15855 1 1486 . 1 1 146 146 LEU CD2 C 13 27.219 0.2 . 2 . . . . 143 L CD2 . 15855 1 1487 . 1 1 146 146 LEU CG C 13 27.044 0.2 . 1 . . . . 143 L CG . 15855 1 1488 . 1 1 146 146 LEU N N 15 120.721 0.1 . 1 . . . . 143 L N . 15855 1 1489 . 1 1 147 147 ILE H H 1 8.656 0.02 . 1 . . . . 144 I HN . 15855 1 1490 . 1 1 147 147 ILE HA H 1 3.465 0.02 . 1 . . . . 144 I HA . 15855 1 1491 . 1 1 147 147 ILE HB H 1 1.934 0.02 . 1 . . . . 144 I HB . 15855 1 1492 . 1 1 147 147 ILE HD11 H 1 0.801 0.02 . 1 . . . . 144 I HD1 . 15855 1 1493 . 1 1 147 147 ILE HD12 H 1 0.801 0.02 . 1 . . . . 144 I HD1 . 15855 1 1494 . 1 1 147 147 ILE HD13 H 1 0.801 0.02 . 1 . . . . 144 I HD1 . 15855 1 1495 . 1 1 147 147 ILE HG12 H 1 1.660 0.02 . 2 . . . . 144 I HG12 . 15855 1 1496 . 1 1 147 147 ILE HG21 H 1 0.932 0.02 . 1 . . . . 144 I HG2 . 15855 1 1497 . 1 1 147 147 ILE HG22 H 1 0.932 0.02 . 1 . . . . 144 I HG2 . 15855 1 1498 . 1 1 147 147 ILE HG23 H 1 0.932 0.02 . 1 . . . . 144 I HG2 . 15855 1 1499 . 1 1 147 147 ILE C C 13 178.347 0.2 . 1 . . . . 144 I C . 15855 1 1500 . 1 1 147 147 ILE CA C 13 66.700 0.2 . 1 . . . . 144 I CA . 15855 1 1501 . 1 1 147 147 ILE CB C 13 38.369 0.2 . 1 . . . . 144 I CB . 15855 1 1502 . 1 1 147 147 ILE CD1 C 13 13.669 0.2 . 1 . . . . 144 I CD1 . 15855 1 1503 . 1 1 147 147 ILE CG1 C 13 25.433 0.2 . 1 . . . . 144 I CG1 . 15855 1 1504 . 1 1 147 147 ILE CG2 C 13 17.643 0.2 . 1 . . . . 144 I CG2 . 15855 1 1505 . 1 1 147 147 ILE N N 15 120.893 0.1 . 1 . . . . 144 I N . 15855 1 1506 . 1 1 148 148 CYS H H 1 8.186 0.02 . 1 . . . . 145 C HN . 15855 1 1507 . 1 1 148 148 CYS HA H 1 4.070 0.02 . 1 . . . . 145 C HA . 15855 1 1508 . 1 1 148 148 CYS HB2 H 1 2.990 0.02 . 1 . . . . 145 C HB2 . 15855 1 1509 . 1 1 148 148 CYS HB3 H 1 2.990 0.02 . 1 . . . . 145 C HB3 . 15855 1 1510 . 1 1 148 148 CYS C C 13 176.458 0.2 . 1 . . . . 145 C C . 15855 1 1511 . 1 1 148 148 CYS CA C 13 64.252 0.2 . 1 . . . . 145 C CA . 15855 1 1512 . 1 1 148 148 CYS CB C 13 26.773 0.2 . 1 . . . . 145 C CB . 15855 1 1513 . 1 1 148 148 CYS N N 15 118.280 0.1 . 1 . . . . 145 C N . 15855 1 1514 . 1 1 149 149 PHE H H 1 7.976 0.02 . 1 . . . . 146 F HN . 15855 1 1515 . 1 1 149 149 PHE HA H 1 4.367 0.02 . 1 . . . . 146 F HA . 15855 1 1516 . 1 1 149 149 PHE HB2 H 1 3.300 0.02 . 1 . . . . 146 F HB2 . 15855 1 1517 . 1 1 149 149 PHE HB3 H 1 3.300 0.02 . 1 . . . . 146 F HB3 . 15855 1 1518 . 1 1 149 149 PHE HD1 H 1 7.216 0.02 . 3 . . . . 146 F HD1 . 15855 1 1519 . 1 1 149 149 PHE HE1 H 1 7.223 0.02 . 3 . . . . 146 F HE1 . 15855 1 1520 . 1 1 149 149 PHE HZ H 1 7.309 0.02 . 1 . . . . 146 F HZ . 15855 1 1521 . 1 1 149 149 PHE C C 13 178.649 0.2 . 1 . . . . 146 F C . 15855 1 1522 . 1 1 149 149 PHE CA C 13 62.168 0.2 . 1 . . . . 146 F CA . 15855 1 1523 . 1 1 149 149 PHE CB C 13 40.220 0.2 . 1 . . . . 146 F CB . 15855 1 1524 . 1 1 149 149 PHE CD1 C 13 131.757 0.2 . 3 . . . . 146 F CD1 . 15855 1 1525 . 1 1 149 149 PHE CE1 C 13 129.929 0.2 . 3 . . . . 146 F CE1 . 15855 1 1526 . 1 1 149 149 PHE CZ C 13 132.482 0.2 . 1 . . . . 146 F CZ . 15855 1 1527 . 1 1 149 149 PHE N N 15 120.214 0.1 . 1 . . . . 146 F N . 15855 1 1528 . 1 1 150 150 CYS H H 1 8.664 0.02 . 1 . . . . 147 C HN . 15855 1 1529 . 1 1 150 150 CYS HA H 1 3.708 0.02 . 1 . . . . 147 C HA . 15855 1 1530 . 1 1 150 150 CYS HB2 H 1 3.134 0.02 . 2 . . . . 147 C HB2 . 15855 1 1531 . 1 1 150 150 CYS HB3 H 1 3.026 0.02 . 2 . . . . 147 C HB3 . 15855 1 1532 . 1 1 150 150 CYS C C 13 176.950 0.2 . 1 . . . . 147 C C . 15855 1 1533 . 1 1 150 150 CYS CA C 13 65.938 0.2 . 1 . . . . 147 C CA . 15855 1 1534 . 1 1 150 150 CYS CB C 13 27.451 0.2 . 1 . . . . 147 C CB . 15855 1 1535 . 1 1 150 150 CYS N N 15 120.235 0.1 . 1 . . . . 147 C N . 15855 1 1536 . 1 1 151 151 ARG H H 1 8.381 0.02 . 1 . . . . 148 R HN . 15855 1 1537 . 1 1 151 151 ARG HA H 1 3.832 0.02 . 1 . . . . 148 R HA . 15855 1 1538 . 1 1 151 151 ARG HB2 H 1 1.898 0.02 . 1 . . . . 148 R HB2 . 15855 1 1539 . 1 1 151 151 ARG HB3 H 1 1.898 0.02 . 1 . . . . 148 R HB3 . 15855 1 1540 . 1 1 151 151 ARG HD2 H 1 3.191 0.02 . 1 . . . . 148 R HD2 . 15855 1 1541 . 1 1 151 151 ARG HD3 H 1 3.191 0.02 . 1 . . . . 148 R HD3 . 15855 1 1542 . 1 1 151 151 ARG HG2 H 1 1.578 0.02 . 1 . . . . 148 R HG2 . 15855 1 1543 . 1 1 151 151 ARG HG3 H 1 1.578 0.02 . 1 . . . . 148 R HG3 . 15855 1 1544 . 1 1 151 151 ARG C C 13 178.669 0.2 . 1 . . . . 148 R C . 15855 1 1545 . 1 1 151 151 ARG CA C 13 60.034 0.2 . 1 . . . . 148 R CA . 15855 1 1546 . 1 1 151 151 ARG CB C 13 30.990 0.2 . 1 . . . . 148 R CB . 15855 1 1547 . 1 1 151 151 ARG CD C 13 43.935 0.2 . 1 . . . . 148 R CD . 15855 1 1548 . 1 1 151 151 ARG CG C 13 28.166 0.2 . 1 . . . . 148 R CG . 15855 1 1549 . 1 1 151 151 ARG N N 15 120.082 0.1 . 1 . . . . 148 R N . 15855 1 1550 . 1 1 152 152 GLU H H 1 8.349 0.02 . 1 . . . . 149 E HN . 15855 1 1551 . 1 1 152 152 GLU HA H 1 3.924 0.02 . 1 . . . . 149 E HA . 15855 1 1552 . 1 1 152 152 GLU HB2 H 1 2.018 0.02 . 1 . . . . 149 E HB2 . 15855 1 1553 . 1 1 152 152 GLU HB3 H 1 2.018 0.02 . 1 . . . . 149 E HB3 . 15855 1 1554 . 1 1 152 152 GLU HG2 H 1 2.278 0.02 . 2 . . . . 149 E HG1 . 15855 1 1555 . 1 1 152 152 GLU HG3 H 1 2.483 0.02 . 2 . . . . 149 E HG2 . 15855 1 1556 . 1 1 152 152 GLU C C 13 179.020 0.2 . 1 . . . . 149 E C . 15855 1 1557 . 1 1 152 152 GLU CA C 13 59.670 0.2 . 1 . . . . 149 E CA . 15855 1 1558 . 1 1 152 152 GLU CB C 13 30.002 0.2 . 1 . . . . 149 E CB . 15855 1 1559 . 1 1 152 152 GLU CG C 13 37.138 0.2 . 1 . . . . 149 E CG . 15855 1 1560 . 1 1 152 152 GLU N N 15 118.654 0.1 . 1 . . . . 149 E N . 15855 1 1561 . 1 1 153 153 SER H H 1 7.666 0.02 . 1 . . . . 150 S HN . 15855 1 1562 . 1 1 153 153 SER HA H 1 4.155 0.02 . 1 . . . . 150 S HA . 15855 1 1563 . 1 1 153 153 SER HB2 H 1 3.611 0.02 . 2 . . . . 150 S HB2 . 15855 1 1564 . 1 1 153 153 SER HB3 H 1 3.755 0.02 . 2 . . . . 150 S HB3 . 15855 1 1565 . 1 1 153 153 SER C C 13 175.775 0.2 . 1 . . . . 150 S C . 15855 1 1566 . 1 1 153 153 SER CA C 13 61.459 0.2 . 1 . . . . 150 S CA . 15855 1 1567 . 1 1 153 153 SER CB C 13 63.457 0.2 . 1 . . . . 150 S CB . 15855 1 1568 . 1 1 153 153 SER N N 15 114.199 0.1 . 1 . . . . 150 S N . 15855 1 1569 . 1 1 154 154 ARG H H 1 7.575 0.02 . 1 . . . . 151 R HN . 15855 1 1570 . 1 1 154 154 ARG HA H 1 3.632 0.02 . 1 . . . . 151 R HA . 15855 1 1571 . 1 1 154 154 ARG HB2 H 1 1.528 0.02 . 2 . . . . 151 R HB2 . 15855 1 1572 . 1 1 154 154 ARG HB3 H 1 1.674 0.02 . 2 . . . . 151 R HB3 . 15855 1 1573 . 1 1 154 154 ARG HD2 H 1 3.111 0.02 . 1 . . . . 151 R HD2 . 15855 1 1574 . 1 1 154 154 ARG HD3 H 1 3.111 0.02 . 1 . . . . 151 R HD3 . 15855 1 1575 . 1 1 154 154 ARG HG2 H 1 1.239 0.02 . 1 . . . . 151 R HG2 . 15855 1 1576 . 1 1 154 154 ARG HG3 H 1 1.239 0.02 . 1 . . . . 151 R HG3 . 15855 1 1577 . 1 1 154 154 ARG C C 13 178.114 0.2 . 1 . . . . 151 R C . 15855 1 1578 . 1 1 154 154 ARG CA C 13 59.205 0.2 . 1 . . . . 151 R CA . 15855 1 1579 . 1 1 154 154 ARG CB C 13 29.958 0.2 . 1 . . . . 151 R CB . 15855 1 1580 . 1 1 154 154 ARG CD C 13 44.048 0.2 . 1 . . . . 151 R CD . 15855 1 1581 . 1 1 154 154 ARG CG C 13 27.808 0.2 . 1 . . . . 151 R CG . 15855 1 1582 . 1 1 154 154 ARG N N 15 121.488 0.1 . 1 . . . . 151 R N . 15855 1 1583 . 1 1 155 155 TYR H H 1 7.683 0.02 . 1 . . . . 152 Y HN . 15855 1 1584 . 1 1 155 155 TYR HA H 1 4.491 0.02 . 1 . . . . 152 Y HA . 15855 1 1585 . 1 1 155 155 TYR HB2 H 1 2.988 0.02 . 1 . . . . 152 Y HB2 . 15855 1 1586 . 1 1 155 155 TYR HB3 H 1 2.988 0.02 . 1 . . . . 152 Y HB3 . 15855 1 1587 . 1 1 155 155 TYR HD1 H 1 7.117 0.02 . 3 . . . . 152 Y HD1 . 15855 1 1588 . 1 1 155 155 TYR HE1 H 1 6.782 0.02 . 3 . . . . 152 Y HE1 . 15855 1 1589 . 1 1 155 155 TYR C C 13 176.458 0.2 . 1 . . . . 152 Y C . 15855 1 1590 . 1 1 155 155 TYR CA C 13 59.442 0.2 . 1 . . . . 152 Y CA . 15855 1 1591 . 1 1 155 155 TYR CB C 13 38.274 0.2 . 1 . . . . 152 Y CB . 15855 1 1592 . 1 1 155 155 TYR CD1 C 13 132.888 0.2 . 3 . . . . 152 Y CD1 . 15855 1 1593 . 1 1 155 155 TYR CE1 C 13 118.025 0.2 . 3 . . . . 152 Y CE1 . 15855 1 1594 . 1 1 155 155 TYR N N 15 118.847 0.1 . 1 . . . . 152 Y N . 15855 1 1595 . 1 1 156 156 MET H H 1 7.570 0.02 . 1 . . . . 153 M HN . 15855 1 1596 . 1 1 156 156 MET HA H 1 4.482 0.02 . 1 . . . . 153 M HA . 15855 1 1597 . 1 1 156 156 MET HB2 H 1 2.023 0.02 . 2 . . . . 153 M HB2 . 15855 1 1598 . 1 1 156 156 MET HB3 H 1 2.216 0.02 . 2 . . . . 153 M HB3 . 15855 1 1599 . 1 1 156 156 MET HE1 H 1 2.125 0.02 . 5 . . . . 153 M HE . 15855 1 1600 . 1 1 156 156 MET HE2 H 1 2.125 0.02 . 5 . . . . 153 M HE . 15855 1 1601 . 1 1 156 156 MET HE3 H 1 2.125 0.02 . 5 . . . . 153 M HE . 15855 1 1602 . 1 1 156 156 MET HG2 H 1 2.586 0.02 . 1 . . . . 153 M HG2 . 15855 1 1603 . 1 1 156 156 MET HG3 H 1 2.586 0.02 . 1 . . . . 153 M HG3 . 15855 1 1604 . 1 1 156 156 MET C C 13 175.306 0.2 . 1 . . . . 153 M C . 15855 1 1605 . 1 1 156 156 MET CA C 13 55.922 0.2 . 1 . . . . 153 M CA . 15855 1 1606 . 1 1 156 156 MET CB C 13 32.971 0.2 . 1 . . . . 153 M CB . 15855 1 1607 . 1 1 156 156 MET CE C 13 17.757 0.2 . 5 . . . . 153 M CE . 15855 1 1608 . 1 1 156 156 MET CG C 13 32.675 0.2 . 1 . . . . 153 M CG . 15855 1 1609 . 1 1 156 156 MET N N 15 117.931 0.1 . 1 . . . . 153 M N . 15855 1 1610 . 1 1 157 157 ASP H H 1 8.013 0.02 . 1 . . . . 154 D HN . 15855 1 1611 . 1 1 157 157 ASP HA H 1 4.302 0.02 . 1 . . . . 154 D HA . 15855 1 1612 . 1 1 157 157 ASP HB2 H 1 2.668 0.02 . 2 . . . . 154 D HB2 . 15855 1 1613 . 1 1 157 157 ASP HB3 H 1 2.844 0.02 . 2 . . . . 154 D HB3 . 15855 1 1614 . 1 1 157 157 ASP C C 13 175.150 0.2 . 1 . . . . 154 D C . 15855 1 1615 . 1 1 157 157 ASP CA C 13 56.128 0.2 . 1 . . . . 154 D CA . 15855 1 1616 . 1 1 157 157 ASP CB C 13 40.631 0.2 . 1 . . . . 154 D CB . 15855 1 1617 . 1 1 157 157 ASP N N 15 117.288 0.1 . 1 . . . . 154 D N . 15855 1 1618 . 1 1 158 158 GLN H H 1 7.905 0.02 . 1 . . . . 155 Q HN . 15855 1 1619 . 1 1 158 158 GLN HA H 1 4.386 0.02 . 1 . . . . 155 Q HA . 15855 1 1620 . 1 1 158 158 GLN HB2 H 1 1.853 0.02 . 1 . . . . 155 Q HB2 . 15855 1 1621 . 1 1 158 158 GLN HB3 H 1 1.853 0.02 . 1 . . . . 155 Q HB3 . 15855 1 1622 . 1 1 158 158 GLN HE21 H 1 7.217 0.02 . 2 . . . . 155 Q HE21 . 15855 1 1623 . 1 1 158 158 GLN HE22 H 1 6.819 0.02 . 2 . . . . 155 Q HE22 . 15855 1 1624 . 1 1 158 158 GLN HG2 H 1 2.124 0.02 . 1 . . . . 155 Q HG2 . 15855 1 1625 . 1 1 158 158 GLN HG3 H 1 2.124 0.02 . 1 . . . . 155 Q HG3 . 15855 1 1626 . 1 1 158 158 GLN C C 13 174.684 0.2 . 1 . . . . 155 Q C . 15855 1 1627 . 1 1 158 158 GLN CA C 13 55.328 0.2 . 1 . . . . 155 Q CA . 15855 1 1628 . 1 1 158 158 GLN CB C 13 28.379 0.2 . 1 . . . . 155 Q CB . 15855 1 1629 . 1 1 158 158 GLN CG C 13 34.122 0.2 . 1 . . . . 155 Q CG . 15855 1 1630 . 1 1 158 158 GLN N N 15 118.184 0.1 . 1 . . . . 155 Q N . 15855 1 1631 . 1 1 158 158 GLN NE2 N 15 113.186 0.1 . 1 . . . . 155 Q NE2 . 15855 1 1632 . 1 1 159 159 TRP H H 1 7.965 0.02 . 1 . . . . 156 W HN . 15855 1 1633 . 1 1 159 159 TRP HA H 1 4.354 0.02 . 1 . . . . 156 W HA . 15855 1 1634 . 1 1 159 159 TRP HB2 H 1 3.213 0.02 . 1 . . . . 156 W HB2 . 15855 1 1635 . 1 1 159 159 TRP HB3 H 1 3.213 0.02 . 1 . . . . 156 W HB3 . 15855 1 1636 . 1 1 159 159 TRP HD1 H 1 7.167 0.02 . 1 . . . . 156 W HD1 . 15855 1 1637 . 1 1 159 159 TRP HE1 H 1 10.229 0.02 . 1 . . . . 156 W HE1 . 15855 1 1638 . 1 1 159 159 TRP HE3 H 1 7.641 0.02 . 1 . . . . 156 W HE3 . 15855 1 1639 . 1 1 159 159 TRP HH2 H 1 7.192 0.02 . 1 . . . . 156 W HH2 . 15855 1 1640 . 1 1 159 159 TRP HZ2 H 1 7.466 0.02 . 1 . . . . 156 W HZ2 . 15855 1 1641 . 1 1 159 159 TRP HZ3 H 1 7.139 0.02 . 1 . . . . 156 W HZ3 . 15855 1 1642 . 1 1 159 159 TRP C C 13 175.372 0.2 . 1 . . . . 156 W C . 15855 1 1643 . 1 1 159 159 TRP CA C 13 58.976 0.2 . 1 . . . . 156 W CA . 15855 1 1644 . 1 1 159 159 TRP CB C 13 30.253 0.2 . 1 . . . . 156 W CB . 15855 1 1645 . 1 1 159 159 TRP CD1 C 13 126.475 0.2 . 1 . . . . 156 W CD1 . 15855 1 1646 . 1 1 159 159 TRP CE3 C 13 120.864 0.2 . 1 . . . . 156 W CE3 . 15855 1 1647 . 1 1 159 159 TRP CH2 C 13 124.484 0.2 . 1 . . . . 156 W CH2 . 15855 1 1648 . 1 1 159 159 TRP CZ2 C 13 114.533 0.2 . 1 . . . . 156 W CZ2 . 15855 1 1649 . 1 1 159 159 TRP CZ3 C 13 122.049 0.2 . 1 . . . . 156 W CZ3 . 15855 1 1650 . 1 1 159 159 TRP N N 15 122.984 0.1 . 1 . . . . 156 W N . 15855 1 1651 . 1 1 159 159 TRP NE1 N 15 129.624 0.1 . 1 . . . . 156 W NE1 . 15855 1 1652 . 1 1 160 160 VAL H H 1 7.871 0.02 . 1 . . . . 157 V HN . 15855 1 1653 . 1 1 160 160 VAL HA H 1 4.307 0.02 . 1 . . . . 157 V HA . 15855 1 1654 . 1 1 160 160 VAL HB H 1 1.918 0.02 . 1 . . . . 157 V HB . 15855 1 1655 . 1 1 160 160 VAL HG11 H 1 0.665 0.02 . 2 . . . . 157 V HG1 . 15855 1 1656 . 1 1 160 160 VAL HG12 H 1 0.665 0.02 . 2 . . . . 157 V HG1 . 15855 1 1657 . 1 1 160 160 VAL HG13 H 1 0.665 0.02 . 2 . . . . 157 V HG1 . 15855 1 1658 . 1 1 160 160 VAL HG21 H 1 0.681 0.02 . 2 . . . . 157 V HG2 . 15855 1 1659 . 1 1 160 160 VAL HG22 H 1 0.681 0.02 . 2 . . . . 157 V HG2 . 15855 1 1660 . 1 1 160 160 VAL HG23 H 1 0.681 0.02 . 2 . . . . 157 V HG2 . 15855 1 1661 . 1 1 160 160 VAL C C 13 175.603 0.2 . 1 . . . . 157 V C . 15855 1 1662 . 1 1 160 160 VAL CA C 13 59.974 0.2 . 1 . . . . 157 V CA . 15855 1 1663 . 1 1 160 160 VAL CB C 13 32.806 0.2 . 1 . . . . 157 V CB . 15855 1 1664 . 1 1 160 160 VAL CG1 C 13 20.764 0.2 . 2 . . . . 157 V CG1 . 15855 1 1665 . 1 1 160 160 VAL CG2 C 13 22.908 0.2 . 2 . . . . 157 V CG2 . 15855 1 1666 . 1 1 160 160 VAL N N 15 119.364 0.1 . 1 . . . . 157 V N . 15855 1 1667 . 1 1 161 161 PRO HA H 1 4.267 0.02 . 1 . . . . 158 P HA . 15855 1 1668 . 1 1 161 161 PRO HB2 H 1 2.157 0.02 . 1 . . . . 158 P HB2 . 15855 1 1669 . 1 1 161 161 PRO HB3 H 1 2.157 0.02 . 1 . . . . 158 P HB3 . 15855 1 1670 . 1 1 161 161 PRO HD2 H 1 3.615 0.02 . 2 . . . . 158 P HD2 . 15855 1 1671 . 1 1 161 161 PRO HD3 H 1 3.777 0.02 . 2 . . . . 158 P HD3 . 15855 1 1672 . 1 1 161 161 PRO C C 13 174.394 0.2 . 1 . . . . 158 P C . 15855 1 1673 . 1 1 161 161 PRO CA C 13 63.239 0.2 . 1 . . . . 158 P CA . 15855 1 1674 . 1 1 161 161 PRO CB C 13 33.355 0.2 . 1 . . . . 158 P CB . 15855 1 1675 . 1 1 161 161 PRO CD C 13 51.220 0.2 . 1 . . . . 158 P CD . 15855 1 1676 . 1 1 162 162 VAL H H 1 7.877 0.02 . 1 . . . . 159 V HN . 15855 1 1677 . 1 1 162 162 VAL HA H 1 5.000 0.02 . 1 . . . . 159 V HA . 15855 1 1678 . 1 1 162 162 VAL HB H 1 1.934 0.02 . 1 . . . . 159 V HB . 15855 1 1679 . 1 1 162 162 VAL HG11 H 1 0.682 0.02 . 2 . . . . 159 V HG1 . 15855 1 1680 . 1 1 162 162 VAL HG12 H 1 0.682 0.02 . 2 . . . . 159 V HG1 . 15855 1 1681 . 1 1 162 162 VAL HG13 H 1 0.682 0.02 . 2 . . . . 159 V HG1 . 15855 1 1682 . 1 1 162 162 VAL HG21 H 1 0.910 0.02 . 2 . . . . 159 V HG2 . 15855 1 1683 . 1 1 162 162 VAL HG22 H 1 0.910 0.02 . 2 . . . . 159 V HG2 . 15855 1 1684 . 1 1 162 162 VAL HG23 H 1 0.910 0.02 . 2 . . . . 159 V HG2 . 15855 1 1685 . 1 1 162 162 VAL C C 13 175.699 0.2 . 1 . . . . 159 V C . 15855 1 1686 . 1 1 162 162 VAL CA C 13 61.093 0.2 . 1 . . . . 159 V CA . 15855 1 1687 . 1 1 162 162 VAL CB C 13 34.085 0.2 . 1 . . . . 159 V CB . 15855 1 1688 . 1 1 162 162 VAL CG1 C 13 20.695 0.2 . 2 . . . . 159 V CG1 . 15855 1 1689 . 1 1 162 162 VAL CG2 C 13 22.133 0.2 . 2 . . . . 159 V CG2 . 15855 1 1690 . 1 1 162 162 VAL N N 15 119.482 0.1 . 1 . . . . 159 V N . 15855 1 1691 . 1 1 163 163 ILE H H 1 9.058 0.02 . 1 . . . . 160 I HN . 15855 1 1692 . 1 1 163 163 ILE HA H 1 4.521 0.02 . 1 . . . . 160 I HA . 15855 1 1693 . 1 1 163 163 ILE HB H 1 1.640 0.02 . 1 . . . . 160 I HB . 15855 1 1694 . 1 1 163 163 ILE HD11 H 1 0.592 0.02 . 1 . . . . 160 I HD1 . 15855 1 1695 . 1 1 163 163 ILE HD12 H 1 0.592 0.02 . 1 . . . . 160 I HD1 . 15855 1 1696 . 1 1 163 163 ILE HD13 H 1 0.592 0.02 . 1 . . . . 160 I HD1 . 15855 1 1697 . 1 1 163 163 ILE HG12 H 1 1.386 0.02 . 2 . . . . 160 I HG12 . 15855 1 1698 . 1 1 163 163 ILE HG21 H 1 0.700 0.02 . 1 . . . . 160 I HG2 . 15855 1 1699 . 1 1 163 163 ILE HG22 H 1 0.700 0.02 . 1 . . . . 160 I HG2 . 15855 1 1700 . 1 1 163 163 ILE HG23 H 1 0.700 0.02 . 1 . . . . 160 I HG2 . 15855 1 1701 . 1 1 163 163 ILE C C 13 172.627 0.2 . 1 . . . . 160 I C . 15855 1 1702 . 1 1 163 163 ILE CA C 13 59.423 0.2 . 1 . . . . 160 I CA . 15855 1 1703 . 1 1 163 163 ILE CB C 13 42.568 0.2 . 1 . . . . 160 I CB . 15855 1 1704 . 1 1 163 163 ILE CD1 C 13 15.588 0.2 . 1 . . . . 160 I CD1 . 15855 1 1705 . 1 1 163 163 ILE CG1 C 13 28.533 0.2 . 1 . . . . 160 I CG1 . 15855 1 1706 . 1 1 163 163 ILE CG2 C 13 18.850 0.2 . 1 . . . . 160 I CG2 . 15855 1 1707 . 1 1 163 163 ILE N N 15 124.735 0.1 . 1 . . . . 160 I N . 15855 1 1708 . 1 1 164 164 ASN H H 1 8.254 0.02 . 1 . . . . 161 N HN . 15855 1 1709 . 1 1 164 164 ASN HA H 1 5.014 0.02 . 1 . . . . 161 N HA . 15855 1 1710 . 1 1 164 164 ASN HB2 H 1 2.481 0.02 . 2 . . . . 161 N HB2 . 15855 1 1711 . 1 1 164 164 ASN HB3 H 1 2.546 0.02 . 2 . . . . 161 N HB3 . 15855 1 1712 . 1 1 164 164 ASN HD21 H 1 7.483 0.02 . 2 . . . . 161 N HD21 . 15855 1 1713 . 1 1 164 164 ASN HD22 H 1 6.884 0.02 . 2 . . . . 161 N HD22 . 15855 1 1714 . 1 1 164 164 ASN C C 13 175.743 0.2 . 1 . . . . 161 N C . 15855 1 1715 . 1 1 164 164 ASN CA C 13 51.971 0.2 . 1 . . . . 161 N CA . 15855 1 1716 . 1 1 164 164 ASN CB C 13 40.522 0.2 . 1 . . . . 161 N CB . 15855 1 1717 . 1 1 164 164 ASN N N 15 122.365 0.1 . 1 . . . . 161 N N . 15855 1 1718 . 1 1 164 164 ASN ND2 N 15 114.546 0.1 . 1 . . . . 161 N ND2 . 15855 1 1719 . 1 1 165 165 LEU H H 1 9.596 0.02 . 1 . . . . 162 L HN . 15855 1 1720 . 1 1 165 165 LEU HA H 1 4.360 0.02 . 1 . . . . 162 L HA . 15855 1 1721 . 1 1 165 165 LEU HB2 H 1 1.563 0.02 . 1 . . . . 162 L HB2 . 15855 1 1722 . 1 1 165 165 LEU HB3 H 1 1.563 0.02 . 1 . . . . 162 L HB3 . 15855 1 1723 . 1 1 165 165 LEU HD11 H 1 0.763 0.02 . 2 . . . . 162 L HD1 . 15855 1 1724 . 1 1 165 165 LEU HD12 H 1 0.763 0.02 . 2 . . . . 162 L HD1 . 15855 1 1725 . 1 1 165 165 LEU HD13 H 1 0.763 0.02 . 2 . . . . 162 L HD1 . 15855 1 1726 . 1 1 165 165 LEU HD21 H 1 0.930 0.02 . 2 . . . . 162 L HD2 . 15855 1 1727 . 1 1 165 165 LEU HD22 H 1 0.930 0.02 . 2 . . . . 162 L HD2 . 15855 1 1728 . 1 1 165 165 LEU HD23 H 1 0.930 0.02 . 2 . . . . 162 L HD2 . 15855 1 1729 . 1 1 165 165 LEU C C 13 175.183 0.2 . 1 . . . . 162 L C . 15855 1 1730 . 1 1 165 165 LEU CA C 13 54.028 0.2 . 1 . . . . 162 L CA . 15855 1 1731 . 1 1 165 165 LEU CB C 13 41.617 0.2 . 1 . . . . 162 L CB . 15855 1 1732 . 1 1 165 165 LEU CD1 C 13 24.537 0.2 . 2 . . . . 162 L CD1 . 15855 1 1733 . 1 1 165 165 LEU N N 15 126.588 0.1 . 1 . . . . 162 L N . 15855 1 1734 . 1 1 166 166 PRO HA H 1 4.226 0.02 . 1 . . . . 163 P HA . 15855 1 1735 . 1 1 166 166 PRO HB2 H 1 1.803 0.02 . 2 . . . . 163 P HB2 . 15855 1 1736 . 1 1 166 166 PRO HB3 H 1 2.273 0.02 . 2 . . . . 163 P HB3 . 15855 1 1737 . 1 1 166 166 PRO HD2 H 1 3.590 0.02 . 1 . . . . 163 P HD2 . 15855 1 1738 . 1 1 166 166 PRO HD3 H 1 3.590 0.02 . 1 . . . . 163 P HD3 . 15855 1 1739 . 1 1 166 166 PRO C C 13 176.352 0.2 . 1 . . . . 163 P C . 15855 1 1740 . 1 1 166 166 PRO CA C 13 63.937 0.2 . 1 . . . . 163 P CA . 15855 1 1741 . 1 1 166 166 PRO CB C 13 32.782 0.2 . 1 . . . . 163 P CB . 15855 1 1742 . 1 1 166 166 PRO CD C 13 50.307 0.2 . 1 . . . . 163 P CD . 15855 1 1743 . 1 1 167 167 GLU H H 1 8.494 0.02 . 1 . . . . 164 E HN . 15855 1 1744 . 1 1 167 167 GLU HA H 1 4.219 0.02 . 1 . . . . 164 E HA . 15855 1 1745 . 1 1 167 167 GLU HB2 H 1 2.022 0.02 . 1 . . . . 164 E HB2 . 15855 1 1746 . 1 1 167 167 GLU HB3 H 1 2.022 0.02 . 1 . . . . 164 E HB3 . 15855 1 1747 . 1 1 167 167 GLU HG2 H 1 2.233 0.02 . 1 . . . . 164 E HG2 . 15855 1 1748 . 1 1 167 167 GLU HG3 H 1 2.233 0.02 . 1 . . . . 164 E HG3 . 15855 1 1749 . 1 1 167 167 GLU C C 13 175.326 0.2 . 1 . . . . 164 E C . 15855 1 1750 . 1 1 167 167 GLU CA C 13 56.746 0.2 . 1 . . . . 164 E CA . 15855 1 1751 . 1 1 167 167 GLU CB C 13 31.006 0.2 . 1 . . . . 164 E CB . 15855 1 1752 . 1 1 167 167 GLU CG C 13 37.000 0.2 . 1 . . . . 164 E CG . 15855 1 1753 . 1 1 167 167 GLU N N 15 123.236 0.1 . 1 . . . . 164 E N . 15855 1 1754 . 1 1 168 168 ARG H H 1 7.954 0.02 . 1 . . . . 165 R HN . 15855 1 1755 . 1 1 168 168 ARG HA H 1 4.184 0.02 . 1 . . . . 165 R HA . 15855 1 1756 . 1 1 168 168 ARG HB2 H 1 1.686 0.02 . 1 . . . . 165 R HB2 . 15855 1 1757 . 1 1 168 168 ARG HB3 H 1 1.686 0.02 . 1 . . . . 165 R HB3 . 15855 1 1758 . 1 1 168 168 ARG HD2 H 1 3.165 0.02 . 1 . . . . 165 R HD2 . 15855 1 1759 . 1 1 168 168 ARG HD3 H 1 3.165 0.02 . 1 . . . . 165 R HD3 . 15855 1 1760 . 1 1 168 168 ARG HE H 1 7.504 0.02 . 1 . . . . 165 R HE . 15855 1 1761 . 1 1 168 168 ARG HG2 H 1 1.554 0.02 . 1 . . . . 165 R HG2 . 15855 1 1762 . 1 1 168 168 ARG HG3 H 1 1.554 0.02 . 1 . . . . 165 R HG3 . 15855 1 1763 . 1 1 168 168 ARG C C 13 181.005 0.2 . 1 . . . . 165 R C . 15855 1 1764 . 1 1 168 168 ARG CA C 13 57.545 0.2 . 1 . . . . 165 R CA . 15855 1 1765 . 1 1 168 168 ARG CB C 13 32.299 0.2 . 1 . . . . 165 R CB . 15855 1 1766 . 1 1 168 168 ARG CD C 13 44.000 0.2 . 1 . . . . 165 R CD . 15855 1 1767 . 1 1 168 168 ARG CG C 13 27.842 0.2 . 1 . . . . 165 R CG . 15855 1 1768 . 1 1 168 168 ARG CZ C 13 159.302 0.2 . 1 . . . . 165 R CZ . 15855 1 1769 . 1 1 168 168 ARG N N 15 126.801 0.1 . 1 . . . . 165 R N . 15855 1 1770 . 1 1 168 168 ARG NE N 15 85.316 0.1 . 1 . . . . 165 R NE . 15855 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 1 15855 1 1 2 15855 1 1 3 15855 1 1 139 15855 1 1 140 15855 1 1 141 15855 1 1 1599 15855 1 1 1600 15855 1 1 1601 15855 1 2 5 15855 1 2 147 15855 1 2 1607 15855 1 3 261 15855 1 3 262 15855 1 3 269 15855 1 4 816 15855 1 4 817 15855 1 4 824 15855 1 5 1434 15855 1 5 1435 15855 1 5 1442 15855 1 stop_ save_