data_18843 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18843 _Entry.Title ; 1H, 13C and 15N assignments of the four N-terminal domains of human fibrillin-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-11-19 _Entry.Accession_date 2012-11-19 _Entry.Last_release_date 2013-01-29 _Entry.Original_release_date 2013-01-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Chemical shift assignments for the FUN-EGF3 recombinant fragment of human fibrillin-1' _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 David Yadin . A. . 18843 2 Ian Robertson . B. . 18843 3 Sacha Jensen . A. . 18843 4 Penny Handford . A. . 18843 5 Christina Redfield . . . 18843 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18843 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 512 18843 '15N chemical shifts' 136 18843 '1H chemical shifts' 787 18843 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-01-29 2012-11-19 original author . 18843 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M74 'BMRB Entry Tracking System' 18843 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18843 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23264024 _Citation.Full_citation . _Citation.Title '(1)H, (13)C and (15)N assignments of the four N-terminal domains of human fibrillin-1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2012 _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 David Yadin . A. . 18843 1 2 Ian Robertson . B. . 18843 1 3 Sacha Jensen . A. . 18843 1 4 Penny Handford . A. . 18843 1 5 Christina Redfield . . . 18843 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'extracellular matrix' 18843 1 'Human fibrillin-1 N-terminus' 18843 1 microfibril 18843 1 'NMR resonance assignments' 18843 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18843 _Assembly.ID 1 _Assembly.Name FUN-EGF3 _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 14082 _Assembly.Enzyme_commission_number . _Assembly.Details 'FUN-EGF3 monomer' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 FUN-EGF3 1 $FUN-EGF3 A . yes native no no . . . 18843 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 17 17 SG . 1 . 1 CYS 26 26 SG . . . . . . . . . . 18843 1 2 disulfide single . 1 . 1 CYS 25 25 SG . 1 . 1 CYS 38 38 SG . . . . . . . . . . 18843 1 3 disulfide single . 1 . 1 CYS 43 43 SG . 1 . 1 CYS 52 52 SG . . . . . . . . . . 18843 1 4 disulfide single . 1 . 1 CYS 47 47 SG . 1 . 1 CYS 58 58 SG . . . . . . . . . . 18843 1 5 disulfide single . 1 . 1 CYS 60 60 SG . 1 . 1 CYS 69 69 SG . . . . . . . . . . 18843 1 6 disulfide single . 1 . 1 CYS 77 77 SG . 1 . 1 CYS 87 87 SG . . . . . . . . . . 18843 1 7 disulfide single . 1 . 1 CYS 81 81 SG . 1 . 1 CYS 92 92 SG . . . . . . . . . . 18843 1 8 disulfide single . 1 . 1 CYS 94 94 SG . 1 . 1 CYS 103 103 SG . . . . . . . . . . 18843 1 9 disulfide single . 1 . 1 CYS 108 108 SG . 1 . 1 CYS 118 118 SG . . . . . . . . . . 18843 1 10 disulfide single . 1 . 1 CYS 112 112 SG . 1 . 1 CYS 124 124 SG . . . . . . . . . . 18843 1 11 disulfide single . 1 . 1 CYS 126 126 SG . 1 . 1 CYS 135 135 SG . . . . . . . . . . 18843 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'binding to prodomains of bone morphogenetic proteins' 18843 1 'fibrillin microfibril formation' 18843 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FUN-EGF3 _Entity.Sf_category entity _Entity.Sf_framecode FUN-EGF3 _Entity.Entry_ID 18843 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FUN-EGF3 _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 ; SARGGGGHDALKGPNVCGSR YNAYCCPGWKTLPGGNQCIV PICRHSCGDGFCSRPNMCTC PSGQIAPSCGSRSIQHCNIR CMNGGSCSDDHCLCQKGYIG THCGQPVCESGCLNGGRCVA PNRCACTYGFTGPQCE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The four N-terminal domains of fibrillin-1: the fibrillin unique N-terminal domain and the first three non-calcium binding epidermal growth factor-like domains. Residues 1 and 2 are are spacer residues between a factor Xa cleavage site and the native sequence. ; _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 136 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'FUN-EGF3 region of fibrillin-1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14082 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Pro-fibrillin sequence (pre-furin processing) from NCBI database: reference NP_000129.3' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2M74 . "1h, 13c And 15n Assignments Of The Four N-terminal Domains Of Human Fibrillin-1" . . . . . 100.00 136 100.00 100.00 2.01e-89 . . . . 18843 1 2 no DBJ BAD16737 . "fibrillin 1 [Homo sapiens]" . . . . . 98.53 195 100.00 100.00 1.35e-89 . . . . 18843 1 3 no DBJ BAD16738 . "fibrillin 1 [Homo sapiens]" . . . . . 98.53 1365 100.00 100.00 4.12e-81 . . . . 18843 1 4 no DBJ BAD16739 . "fibrillin 1 [Homo sapiens]" . . . . . 98.53 2871 100.00 100.00 1.33e-80 . . . . 18843 1 5 no DBJ BAG65498 . "unnamed protein product [Homo sapiens]" . . . . . 98.53 1149 100.00 100.00 1.13e-81 . . . . 18843 1 6 no EMBL CAA45118 . "fibrillin [Homo sapiens]" . . . . . 98.53 3002 100.00 100.00 1.45e-80 . . . . 18843 1 7 no GB AAA56840 . "fibrillin [Mus musculus]" . . . . . 98.53 2871 99.25 100.00 4.25e-80 . . . . 18843 1 8 no GB AAA61825 . "fibrillin-1, partial [Mus musculus]" . . . . . 98.53 1095 98.51 100.00 2.13e-80 . . . . 18843 1 9 no GB AAA64217 . "fibrillin-1 [Mus musculus]" . . . . . 98.53 2873 98.51 100.00 2.12e-79 . . . . 18843 1 10 no GB AAA74122 . "putative [Bos taurus]" . . . . . 98.53 2871 99.25 100.00 5.74e-80 . . . . 18843 1 11 no GB AAB02036 . "fibrillin [Homo sapiens]" . . . . . 98.53 2871 100.00 100.00 1.36e-80 . . . . 18843 1 12 no REF NP_000129 . "fibrillin-1 precursor [Homo sapiens]" . . . . . 98.53 2871 100.00 100.00 1.36e-80 . . . . 18843 1 13 no REF NP_001001771 . "fibrillin-1 precursor [Sus scrofa]" . . . . . 98.53 2871 100.00 100.00 1.57e-80 . . . . 18843 1 14 no REF NP_001274014 . "fibrillin-1 precursor [Canis lupus familiaris]" . . . . . 98.53 2871 99.25 100.00 4.29e-80 . . . . 18843 1 15 no REF NP_032019 . "fibrillin-1 precursor [Mus musculus]" . . . . . 98.53 2873 98.51 100.00 2.00e-79 . . . . 18843 1 16 no REF NP_114013 . "fibrillin-1 precursor [Rattus norvegicus]" . . . . . 98.53 2872 98.51 100.00 1.94e-79 . . . . 18843 1 17 no SP P35555 . "RecName: Full=Fibrillin-1; Flags: Precursor" . . . . . 98.53 2871 100.00 100.00 1.36e-80 . . . . 18843 1 18 no SP P98133 . "RecName: Full=Fibrillin-1; AltName: Full=MP340; Flags: Precursor" . . . . . 98.53 2871 99.25 100.00 5.74e-80 . . . . 18843 1 19 no SP Q61554 . "RecName: Full=Fibrillin-1; Flags: Precursor" . . . . . 98.53 2871 99.25 100.00 4.25e-80 . . . . 18843 1 20 no SP Q9TV36 . "RecName: Full=Fibrillin-1; Flags: Precursor" . . . . . 98.53 2871 100.00 100.00 1.57e-80 . . . . 18843 1 21 no TPG DAA25192 . "TPA: fibrillin-1 precursor [Bos taurus]" . . . . . 98.53 2871 100.00 100.00 1.36e-80 . . . . 18843 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'binding to prodomains of bone morphogenetic proteins' 18843 1 'fibrillin microfibril formation' 18843 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 43 SER . 18843 1 2 44 ALA . 18843 1 3 45 ARG . 18843 1 4 46 GLY . 18843 1 5 47 GLY . 18843 1 6 48 GLY . 18843 1 7 49 GLY . 18843 1 8 50 HIS . 18843 1 9 51 ASP . 18843 1 10 52 ALA . 18843 1 11 53 LEU . 18843 1 12 54 LYS . 18843 1 13 55 GLY . 18843 1 14 56 PRO . 18843 1 15 57 ASN . 18843 1 16 58 VAL . 18843 1 17 59 CYS . 18843 1 18 60 GLY . 18843 1 19 61 SER . 18843 1 20 62 ARG . 18843 1 21 63 TYR . 18843 1 22 64 ASN . 18843 1 23 65 ALA . 18843 1 24 66 TYR . 18843 1 25 67 CYS . 18843 1 26 68 CYS . 18843 1 27 69 PRO . 18843 1 28 70 GLY . 18843 1 29 71 TRP . 18843 1 30 72 LYS . 18843 1 31 73 THR . 18843 1 32 74 LEU . 18843 1 33 75 PRO . 18843 1 34 76 GLY . 18843 1 35 77 GLY . 18843 1 36 78 ASN . 18843 1 37 79 GLN . 18843 1 38 80 CYS . 18843 1 39 81 ILE . 18843 1 40 82 VAL . 18843 1 41 83 PRO . 18843 1 42 84 ILE . 18843 1 43 85 CYS . 18843 1 44 86 ARG . 18843 1 45 87 HIS . 18843 1 46 88 SER . 18843 1 47 89 CYS . 18843 1 48 90 GLY . 18843 1 49 91 ASP . 18843 1 50 92 GLY . 18843 1 51 93 PHE . 18843 1 52 94 CYS . 18843 1 53 95 SER . 18843 1 54 96 ARG . 18843 1 55 97 PRO . 18843 1 56 98 ASN . 18843 1 57 99 MET . 18843 1 58 100 CYS . 18843 1 59 101 THR . 18843 1 60 102 CYS . 18843 1 61 103 PRO . 18843 1 62 104 SER . 18843 1 63 105 GLY . 18843 1 64 106 GLN . 18843 1 65 107 ILE . 18843 1 66 108 ALA . 18843 1 67 109 PRO . 18843 1 68 110 SER . 18843 1 69 111 CYS . 18843 1 70 112 GLY . 18843 1 71 113 SER . 18843 1 72 114 ARG . 18843 1 73 115 SER . 18843 1 74 116 ILE . 18843 1 75 117 GLN . 18843 1 76 118 HIS . 18843 1 77 119 CYS . 18843 1 78 120 ASN . 18843 1 79 121 ILE . 18843 1 80 122 ARG . 18843 1 81 123 CYS . 18843 1 82 124 MET . 18843 1 83 125 ASN . 18843 1 84 126 GLY . 18843 1 85 127 GLY . 18843 1 86 128 SER . 18843 1 87 129 CYS . 18843 1 88 130 SER . 18843 1 89 131 ASP . 18843 1 90 132 ASP . 18843 1 91 133 HIS . 18843 1 92 134 CYS . 18843 1 93 135 LEU . 18843 1 94 136 CYS . 18843 1 95 137 GLN . 18843 1 96 138 LYS . 18843 1 97 139 GLY . 18843 1 98 140 TYR . 18843 1 99 141 ILE . 18843 1 100 142 GLY . 18843 1 101 143 THR . 18843 1 102 144 HIS . 18843 1 103 145 CYS . 18843 1 104 146 GLY . 18843 1 105 147 GLN . 18843 1 106 148 PRO . 18843 1 107 149 VAL . 18843 1 108 150 CYS . 18843 1 109 151 GLU . 18843 1 110 152 SER . 18843 1 111 153 GLY . 18843 1 112 154 CYS . 18843 1 113 155 LEU . 18843 1 114 156 ASN . 18843 1 115 157 GLY . 18843 1 116 158 GLY . 18843 1 117 159 ARG . 18843 1 118 160 CYS . 18843 1 119 161 VAL . 18843 1 120 162 ALA . 18843 1 121 163 PRO . 18843 1 122 164 ASN . 18843 1 123 165 ARG . 18843 1 124 166 CYS . 18843 1 125 167 ALA . 18843 1 126 168 CYS . 18843 1 127 169 THR . 18843 1 128 170 TYR . 18843 1 129 171 GLY . 18843 1 130 172 PHE . 18843 1 131 173 THR . 18843 1 132 174 GLY . 18843 1 133 175 PRO . 18843 1 134 176 GLN . 18843 1 135 177 CYS . 18843 1 136 178 GLU . 18843 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 18843 1 . ALA 2 2 18843 1 . ARG 3 3 18843 1 . GLY 4 4 18843 1 . GLY 5 5 18843 1 . GLY 6 6 18843 1 . GLY 7 7 18843 1 . HIS 8 8 18843 1 . ASP 9 9 18843 1 . ALA 10 10 18843 1 . LEU 11 11 18843 1 . LYS 12 12 18843 1 . GLY 13 13 18843 1 . PRO 14 14 18843 1 . ASN 15 15 18843 1 . VAL 16 16 18843 1 . CYS 17 17 18843 1 . GLY 18 18 18843 1 . SER 19 19 18843 1 . ARG 20 20 18843 1 . TYR 21 21 18843 1 . ASN 22 22 18843 1 . ALA 23 23 18843 1 . TYR 24 24 18843 1 . CYS 25 25 18843 1 . CYS 26 26 18843 1 . PRO 27 27 18843 1 . GLY 28 28 18843 1 . TRP 29 29 18843 1 . LYS 30 30 18843 1 . THR 31 31 18843 1 . LEU 32 32 18843 1 . PRO 33 33 18843 1 . GLY 34 34 18843 1 . GLY 35 35 18843 1 . ASN 36 36 18843 1 . GLN 37 37 18843 1 . CYS 38 38 18843 1 . ILE 39 39 18843 1 . VAL 40 40 18843 1 . PRO 41 41 18843 1 . ILE 42 42 18843 1 . CYS 43 43 18843 1 . ARG 44 44 18843 1 . HIS 45 45 18843 1 . SER 46 46 18843 1 . CYS 47 47 18843 1 . GLY 48 48 18843 1 . ASP 49 49 18843 1 . GLY 50 50 18843 1 . PHE 51 51 18843 1 . CYS 52 52 18843 1 . SER 53 53 18843 1 . ARG 54 54 18843 1 . PRO 55 55 18843 1 . ASN 56 56 18843 1 . MET 57 57 18843 1 . CYS 58 58 18843 1 . THR 59 59 18843 1 . CYS 60 60 18843 1 . PRO 61 61 18843 1 . SER 62 62 18843 1 . GLY 63 63 18843 1 . GLN 64 64 18843 1 . ILE 65 65 18843 1 . ALA 66 66 18843 1 . PRO 67 67 18843 1 . SER 68 68 18843 1 . CYS 69 69 18843 1 . GLY 70 70 18843 1 . SER 71 71 18843 1 . ARG 72 72 18843 1 . SER 73 73 18843 1 . ILE 74 74 18843 1 . GLN 75 75 18843 1 . HIS 76 76 18843 1 . CYS 77 77 18843 1 . ASN 78 78 18843 1 . ILE 79 79 18843 1 . ARG 80 80 18843 1 . CYS 81 81 18843 1 . MET 82 82 18843 1 . ASN 83 83 18843 1 . GLY 84 84 18843 1 . GLY 85 85 18843 1 . SER 86 86 18843 1 . CYS 87 87 18843 1 . SER 88 88 18843 1 . ASP 89 89 18843 1 . ASP 90 90 18843 1 . HIS 91 91 18843 1 . CYS 92 92 18843 1 . LEU 93 93 18843 1 . CYS 94 94 18843 1 . GLN 95 95 18843 1 . LYS 96 96 18843 1 . GLY 97 97 18843 1 . TYR 98 98 18843 1 . ILE 99 99 18843 1 . GLY 100 100 18843 1 . THR 101 101 18843 1 . HIS 102 102 18843 1 . CYS 103 103 18843 1 . GLY 104 104 18843 1 . GLN 105 105 18843 1 . PRO 106 106 18843 1 . VAL 107 107 18843 1 . CYS 108 108 18843 1 . GLU 109 109 18843 1 . SER 110 110 18843 1 . GLY 111 111 18843 1 . CYS 112 112 18843 1 . LEU 113 113 18843 1 . ASN 114 114 18843 1 . GLY 115 115 18843 1 . GLY 116 116 18843 1 . ARG 117 117 18843 1 . CYS 118 118 18843 1 . VAL 119 119 18843 1 . ALA 120 120 18843 1 . PRO 121 121 18843 1 . ASN 122 122 18843 1 . ARG 123 123 18843 1 . CYS 124 124 18843 1 . ALA 125 125 18843 1 . CYS 126 126 18843 1 . THR 127 127 18843 1 . TYR 128 128 18843 1 . GLY 129 129 18843 1 . PHE 130 130 18843 1 . THR 131 131 18843 1 . GLY 132 132 18843 1 . PRO 133 133 18843 1 . GLN 134 134 18843 1 . CYS 135 135 18843 1 . GLU 136 136 18843 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 18843 _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 $FUN-EGF3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . FBN1 . 'FUN-EGF3 is a region of the fibrillin-1 protein, which is encoded by the FBN1 gene' . . 18843 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 18843 _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 $FUN-EGF3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pQE-30 . . . 'Cells were also transformed with the pREP4 plasmid, enabling inducible expression' . . 18843 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18843 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FUN-EGF3 '[U-99% 15N]' . . 1 $FUN-EGF3 . . 1.5 . . mM . . . . 18843 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18843 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FUN-EGF3 '[U-99% 15N]' . . 1 $FUN-EGF3 . . 0.5 . . mM . . . . 18843 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18843 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FUN-EGF3 '[U-99% 13C; U-99% 15N]' . . 1 $FUN-EGF3 . . 1.5 . . mM . . . . 18843 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 18843 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _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 FUN-EGF3 '[U-99% 13C; U-99% 15N]' . . 1 $FUN-EGF3 . . 1.5 . . mM . . . . 18843 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18843 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Ionic strength reported as 0. Lyophilised sample dissolved in H2O/D2O or D2O and adjusted to desired pH using NaOH and HCl or NaOD and DCl.' 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 . M 18843 1 pH 5.40 . pH 18843 1 pressure 1 . atm 18843 1 temperature 298 . K 18843 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18843 _Software.ID 1 _Software.Name NMRPipe _Software.Version 'June 2006 Sun Solaris' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18843 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18843 1 stop_ save_ save_CcpN_Analysis _Software.Sf_category software _Software.Sf_framecode CcpN_Analysis _Software.Entry_ID 18843 _Software.ID 2 _Software.Name CcpN_Analysis _Software.Version 2.1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18843 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18843 2 'peak picking' 18843 2 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 18843 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'home-built spectrometer with triple-axis gradient probe' _NMR_spectrometer.Manufacturer home-built _NMR_spectrometer.Model 'home-built using GE Omega software' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18843 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'home-built spectrometer with triple-axis gradient probe' _NMR_spectrometer.Manufacturer home-built _NMR_spectrometer.Model 'home-built using GE Omega software' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18843 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'with TCI CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18843 _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 home-built 'home-built using GE Omega software' . 750 'home-built spectrometer with triple-axis gradient probe' . . 18843 1 2 spectrometer_2 home-built 'home-built using GE Omega software' . 600 'home-built spectrometer with triple-axis gradient probe' . . 18843 1 3 spectrometer_3 Bruker Avance . 500 'with TCI CryoProbe' . . 18843 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 18843 _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 . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18843 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18843 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18843 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18843 1 5 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18843 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18843 1 7 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18843 1 8 '3D (H)CC(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18843 1 9 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18843 1 10 '3D HN(CA)CO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18843 1 11 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18843 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18843 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18843 1 14 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18843 1 15 '3D 1H-15N HSQC-NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18843 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 18843 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'H2O was used as the reference for 1H (4.75 ppm at 298K). The magnetogyric ratios were used for 13C and 15N.' 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 4.75 internal indirect 0.251449530 . . . . . . . . . 18843 1 H 1 water protons . . . . ppm 4.75 internal direct 1.0 . . . . . . . . . 18843 1 N 15 water protons . . . . ppm 4.75 internal indirect 0.101329118 . . . . . . . . . 18843 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 18843 _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 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method 'estimate from digital resolution' _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' . . . 18843 1 2 '3D 1H-15N NOESY' . . . 18843 1 6 '2D 1H-1H NOESY' . . . 18843 1 7 '3D HNCA' . . . 18843 1 8 '3D (H)CC(CO)NH' . . . 18843 1 9 '3D HNCO' . . . 18843 1 10 '3D HN(CA)CO' . . . 18843 1 12 '3D HCCH-TOCSY' . . . 18843 1 14 '2D 1H-13C HSQC aromatic' . . . 18843 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.380 0.02 . 1 . . . . 44 ALA HA . 18843 1 2 . 1 1 2 2 ALA HB1 H 1 1.384 0.02 . 1 . . . . 44 ALA HB1 . 18843 1 3 . 1 1 2 2 ALA HB2 H 1 1.384 0.02 . 1 . . . . 44 ALA HB2 . 18843 1 4 . 1 1 2 2 ALA HB3 H 1 1.384 0.02 . 1 . . . . 44 ALA HB3 . 18843 1 5 . 1 1 2 2 ALA C C 13 177.626 0.2 . 1 . . . . 44 ALA C . 18843 1 6 . 1 1 2 2 ALA CA C 13 52.681 0.2 . 1 . . . . 44 ALA CA . 18843 1 7 . 1 1 2 2 ALA CB C 13 19.360 0.2 . 1 . . . . 44 ALA CB . 18843 1 8 . 1 1 3 3 ARG H H 1 8.447 0.02 . 1 . . . . 45 ARG H . 18843 1 9 . 1 1 3 3 ARG HA H 1 4.317 0.02 . 1 . . . . 45 ARG HA . 18843 1 10 . 1 1 3 3 ARG HB2 H 1 1.747 0.02 . 2 . . . . 45 ARG HB2 . 18843 1 11 . 1 1 3 3 ARG HB3 H 1 1.844 0.02 . 2 . . . . 45 ARG HB3 . 18843 1 12 . 1 1 3 3 ARG HG2 H 1 1.625 0.02 . 2 . . . . 45 ARG HG2 . 18843 1 13 . 1 1 3 3 ARG HG3 H 1 1.627 0.02 . 2 . . . . 45 ARG HG3 . 18843 1 14 . 1 1 3 3 ARG HD2 H 1 3.165 0.02 . 2 . . . . 45 ARG HD2 . 18843 1 15 . 1 1 3 3 ARG HD3 H 1 3.169 0.02 . 2 . . . . 45 ARG HD3 . 18843 1 16 . 1 1 3 3 ARG C C 13 176.944 0.2 . 1 . . . . 45 ARG C . 18843 1 17 . 1 1 3 3 ARG CA C 13 56.380 0.2 . 1 . . . . 45 ARG CA . 18843 1 18 . 1 1 3 3 ARG CB C 13 30.794 0.2 . 1 . . . . 45 ARG CB . 18843 1 19 . 1 1 3 3 ARG CG C 13 27.148 0.2 . 1 . . . . 45 ARG CG . 18843 1 20 . 1 1 3 3 ARG CD C 13 43.190 0.2 . 1 . . . . 45 ARG CD . 18843 1 21 . 1 1 3 3 ARG N N 15 120.780 0.2 . 1 . . . . 45 ARG N . 18843 1 22 . 1 1 4 4 GLY H H 1 8.417 0.02 . 1 . . . . 46 GLY H . 18843 1 23 . 1 1 4 4 GLY HA2 H 1 3.983 0.02 . 1 . . . . 46 GLY HA2 . 18843 1 24 . 1 1 4 4 GLY HA3 H 1 3.983 0.02 . 1 . . . . 46 GLY HA3 . 18843 1 25 . 1 1 4 4 GLY C C 13 174.673 0.2 . 1 . . . . 46 GLY C . 18843 1 26 . 1 1 4 4 GLY CA C 13 45.336 0.2 . 1 . . . . 46 GLY CA . 18843 1 27 . 1 1 4 4 GLY N N 15 110.491 0.2 . 1 . . . . 46 GLY N . 18843 1 28 . 1 1 5 5 GLY H H 1 8.382 0.02 . 1 . . . . 47 GLY H . 18843 1 29 . 1 1 5 5 GLY HA2 H 1 3.983 0.02 . 1 . . . . 47 GLY HA2 . 18843 1 30 . 1 1 5 5 GLY HA3 H 1 3.983 0.02 . 1 . . . . 47 GLY HA3 . 18843 1 31 . 1 1 5 5 GLY C C 13 174.806 0.2 . 1 . . . . 47 GLY C . 18843 1 32 . 1 1 5 5 GLY CA C 13 45.130 0.2 . 1 . . . . 47 GLY CA . 18843 1 33 . 1 1 5 5 GLY N N 15 108.737 0.2 . 1 . . . . 47 GLY N . 18843 1 34 . 1 1 6 6 GLY H H 1 8.337 0.02 . 1 . . . . 48 GLY H . 18843 1 35 . 1 1 6 6 GLY HA2 H 1 3.911 0.02 . 1 . . . . 48 GLY HA2 . 18843 1 36 . 1 1 6 6 GLY HA3 H 1 3.911 0.02 . 1 . . . . 48 GLY HA3 . 18843 1 37 . 1 1 6 6 GLY C C 13 174.819 0.2 . 1 . . . . 48 GLY C . 18843 1 38 . 1 1 6 6 GLY CA C 13 45.145 0.2 . 1 . . . . 48 GLY CA . 18843 1 39 . 1 1 6 6 GLY N N 15 108.599 0.2 . 1 . . . . 48 GLY N . 18843 1 40 . 1 1 7 7 GLY H H 1 8.335 0.02 . 1 . . . . 49 GLY H . 18843 1 41 . 1 1 7 7 GLY HA2 H 1 3.974 0.02 . 1 . . . . 49 GLY HA2 . 18843 1 42 . 1 1 7 7 GLY HA3 H 1 3.974 0.02 . 1 . . . . 49 GLY HA3 . 18843 1 43 . 1 1 7 7 GLY C C 13 174.252 0.2 . 1 . . . . 49 GLY C . 18843 1 44 . 1 1 7 7 GLY CA C 13 45.198 0.2 . 1 . . . . 49 GLY CA . 18843 1 45 . 1 1 7 7 GLY N N 15 108.786 0.2 . 1 . . . . 49 GLY N . 18843 1 46 . 1 1 8 8 HIS H H 1 8.360 0.02 . 1 . . . . 50 HIS H . 18843 1 47 . 1 1 8 8 HIS HA H 1 4.692 0.02 . 1 . . . . 50 HIS HA . 18843 1 48 . 1 1 8 8 HIS HB2 H 1 3.248 0.02 . 2 . . . . 50 HIS HB2 . 18843 1 49 . 1 1 8 8 HIS HB3 H 1 3.130 0.02 . 2 . . . . 50 HIS HB3 . 18843 1 50 . 1 1 8 8 HIS C C 13 174.352 0.2 . 1 . . . . 50 HIS C . 18843 1 51 . 1 1 8 8 HIS CA C 13 55.536 0.2 . 1 . . . . 50 HIS CA . 18843 1 52 . 1 1 8 8 HIS CB C 13 29.515 0.2 . 1 . . . . 50 HIS CB . 18843 1 53 . 1 1 8 8 HIS N N 15 118.226 0.2 . 1 . . . . 50 HIS N . 18843 1 54 . 1 1 9 9 ASP H H 1 8.427 0.02 . 1 . . . . 51 ASP H . 18843 1 55 . 1 1 9 9 ASP HA H 1 4.592 0.02 . 1 . . . . 51 ASP HA . 18843 1 56 . 1 1 9 9 ASP HB2 H 1 2.545 0.02 . 2 . . . . 51 ASP HB2 . 18843 1 57 . 1 1 9 9 ASP HB3 H 1 2.648 0.02 . 2 . . . . 51 ASP HB3 . 18843 1 58 . 1 1 9 9 ASP C C 13 175.623 0.2 . 1 . . . . 51 ASP C . 18843 1 59 . 1 1 9 9 ASP CA C 13 54.352 0.2 . 1 . . . . 51 ASP CA . 18843 1 60 . 1 1 9 9 ASP CB C 13 41.313 0.2 . 1 . . . . 51 ASP CB . 18843 1 61 . 1 1 9 9 ASP N N 15 121.289 0.2 . 1 . . . . 51 ASP N . 18843 1 62 . 1 1 10 10 ALA H H 1 8.143 0.02 . 1 . . . . 52 ALA H . 18843 1 63 . 1 1 10 10 ALA HA H 1 4.281 0.02 . 1 . . . . 52 ALA HA . 18843 1 64 . 1 1 10 10 ALA HB1 H 1 1.336 0.02 . 1 . . . . 52 ALA HB1 . 18843 1 65 . 1 1 10 10 ALA HB2 H 1 1.336 0.02 . 1 . . . . 52 ALA HB2 . 18843 1 66 . 1 1 10 10 ALA HB3 H 1 1.336 0.02 . 1 . . . . 52 ALA HB3 . 18843 1 67 . 1 1 10 10 ALA C C 13 177.420 0.2 . 1 . . . . 52 ALA C . 18843 1 68 . 1 1 10 10 ALA CA C 13 52.412 0.2 . 1 . . . . 52 ALA CA . 18843 1 69 . 1 1 10 10 ALA CB C 13 19.512 0.2 . 1 . . . . 52 ALA CB . 18843 1 70 . 1 1 10 10 ALA N N 15 124.182 0.2 . 1 . . . . 52 ALA N . 18843 1 71 . 1 1 11 11 LEU H H 1 7.881 0.02 . 1 . . . . 53 LEU H . 18843 1 72 . 1 1 11 11 LEU HA H 1 4.556 0.02 . 1 . . . . 53 LEU HA . 18843 1 73 . 1 1 11 11 LEU HB2 H 1 1.434 0.02 . 2 . . . . 53 LEU HB2 . 18843 1 74 . 1 1 11 11 LEU HB3 H 1 1.226 0.02 . 2 . . . . 53 LEU HB3 . 18843 1 75 . 1 1 11 11 LEU HG H 1 1.589 0.02 . 1 . . . . 53 LEU HG . 18843 1 76 . 1 1 11 11 LEU HD11 H 1 0.705 0.02 . 2 . . . . 53 LEU HD11 . 18843 1 77 . 1 1 11 11 LEU HD12 H 1 0.705 0.02 . 2 . . . . 53 LEU HD12 . 18843 1 78 . 1 1 11 11 LEU HD13 H 1 0.705 0.02 . 2 . . . . 53 LEU HD13 . 18843 1 79 . 1 1 11 11 LEU HD21 H 1 0.712 0.02 . 2 . . . . 53 LEU HD21 . 18843 1 80 . 1 1 11 11 LEU HD22 H 1 0.712 0.02 . 2 . . . . 53 LEU HD22 . 18843 1 81 . 1 1 11 11 LEU HD23 H 1 0.712 0.02 . 2 . . . . 53 LEU HD23 . 18843 1 82 . 1 1 11 11 LEU C C 13 176.613 0.2 . 1 . . . . 53 LEU C . 18843 1 83 . 1 1 11 11 LEU CA C 13 54.857 0.2 . 1 . . . . 53 LEU CA . 18843 1 84 . 1 1 11 11 LEU CB C 13 43.631 0.2 . 1 . . . . 53 LEU CB . 18843 1 85 . 1 1 11 11 LEU CG C 13 26.953 0.2 . 1 . . . . 53 LEU CG . 18843 1 86 . 1 1 11 11 LEU CD1 C 13 22.929 0.2 . 2 . . . . 53 LEU CD1 . 18843 1 87 . 1 1 11 11 LEU CD2 C 13 25.264 0.2 . 2 . . . . 53 LEU CD2 . 18843 1 88 . 1 1 11 11 LEU N N 15 120.183 0.2 . 1 . . . . 53 LEU N . 18843 1 89 . 1 1 12 12 LYS H H 1 8.247 0.02 . 1 . . . . 54 LYS H . 18843 1 90 . 1 1 12 12 LYS HA H 1 4.534 0.02 . 1 . . . . 54 LYS HA . 18843 1 91 . 1 1 12 12 LYS HB2 H 1 1.737 0.02 . 2 . . . . 54 LYS HB2 . 18843 1 92 . 1 1 12 12 LYS HB3 H 1 1.614 0.02 . 2 . . . . 54 LYS HB3 . 18843 1 93 . 1 1 12 12 LYS HG2 H 1 1.296 0.02 . 2 . . . . 54 LYS HG2 . 18843 1 94 . 1 1 12 12 LYS HG3 H 1 1.228 0.02 . 2 . . . . 54 LYS HG3 . 18843 1 95 . 1 1 12 12 LYS HD2 H 1 1.574 0.02 . 2 . . . . 54 LYS HD2 . 18843 1 96 . 1 1 12 12 LYS HD3 H 1 1.582 0.02 . 2 . . . . 54 LYS HD3 . 18843 1 97 . 1 1 12 12 LYS HE2 H 1 2.878 0.02 . 2 . . . . 54 LYS HE2 . 18843 1 98 . 1 1 12 12 LYS HE3 H 1 2.875 0.02 . 2 . . . . 54 LYS HE3 . 18843 1 99 . 1 1 12 12 LYS C C 13 175.688 0.2 . 1 . . . . 54 LYS C . 18843 1 100 . 1 1 12 12 LYS CA C 13 54.778 0.2 . 1 . . . . 54 LYS CA . 18843 1 101 . 1 1 12 12 LYS CB C 13 35.742 0.2 . 1 . . . . 54 LYS CB . 18843 1 102 . 1 1 12 12 LYS CG C 13 23.804 0.2 . 1 . . . . 54 LYS CG . 18843 1 103 . 1 1 12 12 LYS CD C 13 29.207 0.2 . 1 . . . . 54 LYS CD . 18843 1 104 . 1 1 12 12 LYS CE C 13 42.190 0.2 . 1 . . . . 54 LYS CE . 18843 1 105 . 1 1 12 12 LYS N N 15 120.049 0.2 . 1 . . . . 54 LYS N . 18843 1 106 . 1 1 13 13 GLY H H 1 8.332 0.02 . 1 . . . . 55 GLY H . 18843 1 107 . 1 1 13 13 GLY HA2 H 1 4.384 0.02 . 2 . . . . 55 GLY HA2 . 18843 1 108 . 1 1 13 13 GLY HA3 H 1 3.638 0.02 . 2 . . . . 55 GLY HA3 . 18843 1 109 . 1 1 13 13 GLY C C 13 171.549 0.2 . 1 . . . . 55 GLY C . 18843 1 110 . 1 1 13 13 GLY CA C 13 44.248 0.2 . 1 . . . . 55 GLY CA . 18843 1 111 . 1 1 13 13 GLY N N 15 108.809 0.2 . 1 . . . . 55 GLY N . 18843 1 112 . 1 1 14 14 PRO HA H 1 4.271 0.02 . 1 . . . . 56 PRO HA . 18843 1 113 . 1 1 14 14 PRO HB2 H 1 1.996 0.02 . 2 . . . . 56 PRO HB2 . 18843 1 114 . 1 1 14 14 PRO HB3 H 1 1.490 0.02 . 2 . . . . 56 PRO HB3 . 18843 1 115 . 1 1 14 14 PRO HG2 H 1 1.782 0.02 . 2 . . . . 56 PRO HG2 . 18843 1 116 . 1 1 14 14 PRO HG3 H 1 1.553 0.02 . 2 . . . . 56 PRO HG3 . 18843 1 117 . 1 1 14 14 PRO HD2 H 1 3.593 0.02 . 2 . . . . 56 PRO HD2 . 18843 1 118 . 1 1 14 14 PRO HD3 H 1 3.373 0.02 . 2 . . . . 56 PRO HD3 . 18843 1 119 . 1 1 14 14 PRO C C 13 176.321 0.2 . 1 . . . . 56 PRO C . 18843 1 120 . 1 1 14 14 PRO CA C 13 62.489 0.2 . 1 . . . . 56 PRO CA . 18843 1 121 . 1 1 14 14 PRO CB C 13 33.024 0.2 . 1 . . . . 56 PRO CB . 18843 1 122 . 1 1 14 14 PRO CG C 13 26.559 0.2 . 1 . . . . 56 PRO CG . 18843 1 123 . 1 1 14 14 PRO CD C 13 49.918 0.2 . 1 . . . . 56 PRO CD . 18843 1 124 . 1 1 15 15 ASN H H 1 8.464 0.02 . 1 . . . . 57 ASN H . 18843 1 125 . 1 1 15 15 ASN HA H 1 3.759 0.02 . 1 . . . . 57 ASN HA . 18843 1 126 . 1 1 15 15 ASN HB2 H 1 1.741 0.02 . 2 . . . . 57 ASN HB2 . 18843 1 127 . 1 1 15 15 ASN HB3 H 1 2.862 0.02 . 2 . . . . 57 ASN HB3 . 18843 1 128 . 1 1 15 15 ASN HD21 H 1 5.054 0.02 . 1 . . . . 57 ASN HD21 . 18843 1 129 . 1 1 15 15 ASN HD22 H 1 6.090 0.02 . 1 . . . . 57 ASN HD22 . 18843 1 130 . 1 1 15 15 ASN C C 13 173.070 0.2 . 1 . . . . 57 ASN C . 18843 1 131 . 1 1 15 15 ASN CA C 13 53.820 0.2 . 1 . . . . 57 ASN CA . 18843 1 132 . 1 1 15 15 ASN CB C 13 36.121 0.2 . 1 . . . . 57 ASN CB . 18843 1 133 . 1 1 15 15 ASN N N 15 111.320 0.2 . 1 . . . . 57 ASN N . 18843 1 134 . 1 1 15 15 ASN ND2 N 15 113.531 0.2 . 1 . . . . 57 ASN ND2 . 18843 1 135 . 1 1 16 16 VAL H H 1 7.571 0.02 . 1 . . . . 58 VAL H . 18843 1 136 . 1 1 16 16 VAL HA H 1 4.055 0.02 . 1 . . . . 58 VAL HA . 18843 1 137 . 1 1 16 16 VAL HB H 1 1.699 0.02 . 1 . . . . 58 VAL HB . 18843 1 138 . 1 1 16 16 VAL HG11 H 1 0.685 0.02 . 2 . . . . 58 VAL HG11 . 18843 1 139 . 1 1 16 16 VAL HG12 H 1 0.685 0.02 . 2 . . . . 58 VAL HG12 . 18843 1 140 . 1 1 16 16 VAL HG13 H 1 0.685 0.02 . 2 . . . . 58 VAL HG13 . 18843 1 141 . 1 1 16 16 VAL HG21 H 1 0.471 0.02 . 2 . . . . 58 VAL HG21 . 18843 1 142 . 1 1 16 16 VAL HG22 H 1 0.471 0.02 . 2 . . . . 58 VAL HG22 . 18843 1 143 . 1 1 16 16 VAL HG23 H 1 0.471 0.02 . 2 . . . . 58 VAL HG23 . 18843 1 144 . 1 1 16 16 VAL C C 13 175.618 0.2 . 1 . . . . 58 VAL C . 18843 1 145 . 1 1 16 16 VAL CA C 13 63.495 0.2 . 1 . . . . 58 VAL CA . 18843 1 146 . 1 1 16 16 VAL CB C 13 32.340 0.2 . 1 . . . . 58 VAL CB . 18843 1 147 . 1 1 16 16 VAL CG1 C 13 22.690 0.2 . 2 . . . . 58 VAL CG1 . 18843 1 148 . 1 1 16 16 VAL CG2 C 13 22.717 0.2 . 2 . . . . 58 VAL CG2 . 18843 1 149 . 1 1 16 16 VAL N N 15 117.474 0.2 . 1 . . . . 58 VAL N . 18843 1 150 . 1 1 17 17 CYS H H 1 9.187 0.02 . 1 . . . . 59 CYS H . 18843 1 151 . 1 1 17 17 CYS HA H 1 4.874 0.02 . 1 . . . . 59 CYS HA . 18843 1 152 . 1 1 17 17 CYS HB2 H 1 2.733 0.02 . 2 . . . . 59 CYS HB2 . 18843 1 153 . 1 1 17 17 CYS HB3 H 1 2.330 0.02 . 2 . . . . 59 CYS HB3 . 18843 1 154 . 1 1 17 17 CYS C C 13 172.843 0.2 . 1 . . . . 59 CYS C . 18843 1 155 . 1 1 17 17 CYS CA C 13 59.526 0.2 . 1 . . . . 59 CYS CA . 18843 1 156 . 1 1 17 17 CYS CB C 13 41.436 0.2 . 1 . . . . 59 CYS CB . 18843 1 157 . 1 1 17 17 CYS N N 15 130.742 0.2 . 1 . . . . 59 CYS N . 18843 1 158 . 1 1 18 18 GLY H H 1 8.239 0.02 . 1 . . . . 60 GLY H . 18843 1 159 . 1 1 18 18 GLY HA2 H 1 3.673 0.02 . 2 . . . . 60 GLY HA2 . 18843 1 160 . 1 1 18 18 GLY HA3 H 1 4.375 0.02 . 2 . . . . 60 GLY HA3 . 18843 1 161 . 1 1 18 18 GLY C C 13 173.952 0.2 . 1 . . . . 60 GLY C . 18843 1 162 . 1 1 18 18 GLY CA C 13 44.757 0.2 . 1 . . . . 60 GLY CA . 18843 1 163 . 1 1 18 18 GLY N N 15 106.335 0.2 . 1 . . . . 60 GLY N . 18843 1 164 . 1 1 19 19 SER H H 1 8.102 0.02 . 1 . . . . 61 SER H . 18843 1 165 . 1 1 19 19 SER HA H 1 4.620 0.02 . 1 . . . . 61 SER HA . 18843 1 166 . 1 1 19 19 SER HB2 H 1 4.075 0.02 . 2 . . . . 61 SER HB2 . 18843 1 167 . 1 1 19 19 SER HB3 H 1 3.863 0.02 . 2 . . . . 61 SER HB3 . 18843 1 168 . 1 1 19 19 SER C C 13 175.033 0.2 . 1 . . . . 61 SER C . 18843 1 169 . 1 1 19 19 SER CA C 13 56.955 0.2 . 1 . . . . 61 SER CA . 18843 1 170 . 1 1 19 19 SER CB C 13 65.820 0.2 . 1 . . . . 61 SER CB . 18843 1 171 . 1 1 19 19 SER N N 15 116.458 0.2 . 1 . . . . 61 SER N . 18843 1 172 . 1 1 20 20 ARG H H 1 8.505 0.02 . 1 . . . . 62 ARG H . 18843 1 173 . 1 1 20 20 ARG HA H 1 3.866 0.02 . 1 . . . . 62 ARG HA . 18843 1 174 . 1 1 20 20 ARG HB2 H 1 1.645 0.02 . 2 . . . . 62 ARG HB2 . 18843 1 175 . 1 1 20 20 ARG HB3 H 1 1.414 0.02 . 2 . . . . 62 ARG HB3 . 18843 1 176 . 1 1 20 20 ARG HG2 H 1 1.076 0.02 . 2 . . . . 62 ARG HG2 . 18843 1 177 . 1 1 20 20 ARG HG3 H 1 1.077 0.02 . 2 . . . . 62 ARG HG3 . 18843 1 178 . 1 1 20 20 ARG HD2 H 1 2.952 0.02 . 2 . . . . 62 ARG HD2 . 18843 1 179 . 1 1 20 20 ARG HD3 H 1 2.953 0.02 . 2 . . . . 62 ARG HD3 . 18843 1 180 . 1 1 20 20 ARG C C 13 177.104 0.2 . 1 . . . . 62 ARG C . 18843 1 181 . 1 1 20 20 ARG CA C 13 58.710 0.2 . 1 . . . . 62 ARG CA . 18843 1 182 . 1 1 20 20 ARG CB C 13 29.703 0.2 . 1 . . . . 62 ARG CB . 18843 1 183 . 1 1 20 20 ARG CG C 13 26.285 0.2 . 1 . . . . 62 ARG CG . 18843 1 184 . 1 1 20 20 ARG CD C 13 43.252 0.2 . 1 . . . . 62 ARG CD . 18843 1 185 . 1 1 20 20 ARG N N 15 119.207 0.2 . 1 . . . . 62 ARG N . 18843 1 186 . 1 1 21 21 TYR H H 1 7.827 0.02 . 1 . . . . 63 TYR H . 18843 1 187 . 1 1 21 21 TYR HA H 1 4.586 0.02 . 1 . . . . 63 TYR HA . 18843 1 188 . 1 1 21 21 TYR HB2 H 1 3.261 0.02 . 2 . . . . 63 TYR HB2 . 18843 1 189 . 1 1 21 21 TYR HB3 H 1 2.779 0.02 . 2 . . . . 63 TYR HB3 . 18843 1 190 . 1 1 21 21 TYR HD1 H 1 7.122 0.02 . 3 . . . . 63 TYR HD1 . 18843 1 191 . 1 1 21 21 TYR HD2 H 1 7.122 0.02 . 3 . . . . 63 TYR HD2 . 18843 1 192 . 1 1 21 21 TYR HE1 H 1 6.830 0.02 . 3 . . . . 63 TYR HE1 . 18843 1 193 . 1 1 21 21 TYR HE2 H 1 6.830 0.02 . 3 . . . . 63 TYR HE2 . 18843 1 194 . 1 1 21 21 TYR C C 13 175.297 0.2 . 1 . . . . 63 TYR C . 18843 1 195 . 1 1 21 21 TYR CA C 13 57.834 0.2 . 1 . . . . 63 TYR CA . 18843 1 196 . 1 1 21 21 TYR CB C 13 38.151 0.2 . 1 . . . . 63 TYR CB . 18843 1 197 . 1 1 21 21 TYR CD1 C 13 133.003 0.2 . 3 . . . . 63 TYR CD1 . 18843 1 198 . 1 1 21 21 TYR CD2 C 13 133.003 0.2 . 3 . . . . 63 TYR CD2 . 18843 1 199 . 1 1 21 21 TYR CE1 C 13 118.135 0.2 . 3 . . . . 63 TYR CE1 . 18843 1 200 . 1 1 21 21 TYR CE2 C 13 118.135 0.2 . 3 . . . . 63 TYR CE2 . 18843 1 201 . 1 1 21 21 TYR N N 15 115.552 0.2 . 1 . . . . 63 TYR N . 18843 1 202 . 1 1 22 22 ASN H H 1 7.599 0.02 . 1 . . . . 64 ASN H . 18843 1 203 . 1 1 22 22 ASN HA H 1 4.846 0.02 . 1 . . . . 64 ASN HA . 18843 1 204 . 1 1 22 22 ASN HB2 H 1 2.681 0.02 . 2 . . . . 64 ASN HB2 . 18843 1 205 . 1 1 22 22 ASN HB3 H 1 2.819 0.02 . 2 . . . . 64 ASN HB3 . 18843 1 206 . 1 1 22 22 ASN HD21 H 1 6.889 0.02 . 1 . . . . 64 ASN HD21 . 18843 1 207 . 1 1 22 22 ASN HD22 H 1 7.542 0.02 . 1 . . . . 64 ASN HD22 . 18843 1 208 . 1 1 22 22 ASN C C 13 172.623 0.2 . 1 . . . . 64 ASN C . 18843 1 209 . 1 1 22 22 ASN CA C 13 52.966 0.2 . 1 . . . . 64 ASN CA . 18843 1 210 . 1 1 22 22 ASN CB C 13 38.933 0.2 . 1 . . . . 64 ASN CB . 18843 1 211 . 1 1 22 22 ASN N N 15 120.053 0.2 . 1 . . . . 64 ASN N . 18843 1 212 . 1 1 22 22 ASN ND2 N 15 111.711 0.2 . 1 . . . . 64 ASN ND2 . 18843 1 213 . 1 1 23 23 ALA H H 1 8.185 0.02 . 1 . . . . 65 ALA H . 18843 1 214 . 1 1 23 23 ALA HA H 1 4.805 0.02 . 1 . . . . 65 ALA HA . 18843 1 215 . 1 1 23 23 ALA HB1 H 1 1.267 0.02 . 1 . . . . 65 ALA HB1 . 18843 1 216 . 1 1 23 23 ALA HB2 H 1 1.267 0.02 . 1 . . . . 65 ALA HB2 . 18843 1 217 . 1 1 23 23 ALA HB3 H 1 1.267 0.02 . 1 . . . . 65 ALA HB3 . 18843 1 218 . 1 1 23 23 ALA C C 13 177.024 0.2 . 1 . . . . 65 ALA C . 18843 1 219 . 1 1 23 23 ALA CA C 13 51.800 0.2 . 1 . . . . 65 ALA CA . 18843 1 220 . 1 1 23 23 ALA CB C 13 20.705 0.2 . 1 . . . . 65 ALA CB . 18843 1 221 . 1 1 23 23 ALA N N 15 126.460 0.2 . 1 . . . . 65 ALA N . 18843 1 222 . 1 1 24 24 TYR H H 1 7.802 0.02 . 1 . . . . 66 TYR H . 18843 1 223 . 1 1 24 24 TYR HA H 1 4.697 0.02 . 1 . . . . 66 TYR HA . 18843 1 224 . 1 1 24 24 TYR HB2 H 1 3.110 0.02 . 2 . . . . 66 TYR HB2 . 18843 1 225 . 1 1 24 24 TYR HB3 H 1 2.973 0.02 . 2 . . . . 66 TYR HB3 . 18843 1 226 . 1 1 24 24 TYR HD1 H 1 6.991 0.02 . 3 . . . . 66 TYR HD1 . 18843 1 227 . 1 1 24 24 TYR HD2 H 1 6.991 0.02 . 3 . . . . 66 TYR HD2 . 18843 1 228 . 1 1 24 24 TYR HE1 H 1 6.698 0.02 . 3 . . . . 66 TYR HE1 . 18843 1 229 . 1 1 24 24 TYR HE2 H 1 6.698 0.02 . 3 . . . . 66 TYR HE2 . 18843 1 230 . 1 1 24 24 TYR C C 13 174.161 0.2 . 1 . . . . 66 TYR C . 18843 1 231 . 1 1 24 24 TYR CA C 13 55.530 0.2 . 1 . . . . 66 TYR CA . 18843 1 232 . 1 1 24 24 TYR CB C 13 39.502 0.2 . 1 . . . . 66 TYR CB . 18843 1 233 . 1 1 24 24 TYR CD1 C 13 134.817 0.2 . 3 . . . . 66 TYR CD1 . 18843 1 234 . 1 1 24 24 TYR CD2 C 13 134.817 0.2 . 3 . . . . 66 TYR CD2 . 18843 1 235 . 1 1 24 24 TYR CE1 C 13 117.268 0.2 . 3 . . . . 66 TYR CE1 . 18843 1 236 . 1 1 24 24 TYR CE2 C 13 117.268 0.2 . 3 . . . . 66 TYR CE2 . 18843 1 237 . 1 1 24 24 TYR N N 15 117.842 0.2 . 1 . . . . 66 TYR N . 18843 1 238 . 1 1 25 25 CYS H H 1 9.070 0.02 . 1 . . . . 67 CYS H . 18843 1 239 . 1 1 25 25 CYS HA H 1 5.215 0.02 . 1 . . . . 67 CYS HA . 18843 1 240 . 1 1 25 25 CYS HB2 H 1 2.773 0.02 . 2 . . . . 67 CYS HB2 . 18843 1 241 . 1 1 25 25 CYS HB3 H 1 3.125 0.02 . 2 . . . . 67 CYS HB3 . 18843 1 242 . 1 1 25 25 CYS C C 13 175.710 0.2 . 1 . . . . 67 CYS C . 18843 1 243 . 1 1 25 25 CYS CA C 13 53.025 0.2 . 1 . . . . 67 CYS CA . 18843 1 244 . 1 1 25 25 CYS CB C 13 35.626 0.2 . 1 . . . . 67 CYS CB . 18843 1 245 . 1 1 25 25 CYS N N 15 118.254 0.2 . 1 . . . . 67 CYS N . 18843 1 246 . 1 1 26 26 CYS H H 1 9.056 0.02 . 1 . . . . 68 CYS H . 18843 1 247 . 1 1 26 26 CYS HA H 1 4.648 0.02 . 1 . . . . 68 CYS HA . 18843 1 248 . 1 1 26 26 CYS HB2 H 1 3.460 0.02 . 2 . . . . 68 CYS HB2 . 18843 1 249 . 1 1 26 26 CYS HB3 H 1 2.351 0.02 . 2 . . . . 68 CYS HB3 . 18843 1 250 . 1 1 26 26 CYS C C 13 170.365 0.2 . 1 . . . . 68 CYS C . 18843 1 251 . 1 1 26 26 CYS CA C 13 53.737 0.2 . 1 . . . . 68 CYS CA . 18843 1 252 . 1 1 26 26 CYS CB C 13 39.704 0.2 . 1 . . . . 68 CYS CB . 18843 1 253 . 1 1 26 26 CYS N N 15 121.786 0.2 . 1 . . . . 68 CYS N . 18843 1 254 . 1 1 27 27 PRO HA H 1 4.385 0.02 . 1 . . . . 69 PRO HA . 18843 1 255 . 1 1 27 27 PRO HB2 H 1 1.896 0.02 . 2 . . . . 69 PRO HB2 . 18843 1 256 . 1 1 27 27 PRO HB3 H 1 2.332 0.02 . 2 . . . . 69 PRO HB3 . 18843 1 257 . 1 1 27 27 PRO HG2 H 1 2.183 0.02 . 2 . . . . 69 PRO HG2 . 18843 1 258 . 1 1 27 27 PRO HG3 H 1 2.249 0.02 . 2 . . . . 69 PRO HG3 . 18843 1 259 . 1 1 27 27 PRO HD2 H 1 4.001 0.02 . 2 . . . . 69 PRO HD2 . 18843 1 260 . 1 1 27 27 PRO HD3 H 1 3.844 0.02 . 2 . . . . 69 PRO HD3 . 18843 1 261 . 1 1 27 27 PRO C C 13 177.251 0.2 . 1 . . . . 69 PRO C . 18843 1 262 . 1 1 27 27 PRO CA C 13 64.653 0.2 . 1 . . . . 69 PRO CA . 18843 1 263 . 1 1 27 27 PRO CB C 13 31.799 0.2 . 1 . . . . 69 PRO CB . 18843 1 264 . 1 1 27 27 PRO CG C 13 28.110 0.2 . 1 . . . . 69 PRO CG . 18843 1 265 . 1 1 27 27 PRO CD C 13 50.465 0.2 . 1 . . . . 69 PRO CD . 18843 1 266 . 1 1 28 28 GLY H H 1 8.717 0.02 . 1 . . . . 70 GLY H . 18843 1 267 . 1 1 28 28 GLY HA2 H 1 4.082 0.02 . 2 . . . . 70 GLY HA2 . 18843 1 268 . 1 1 28 28 GLY HA3 H 1 3.428 0.02 . 2 . . . . 70 GLY HA3 . 18843 1 269 . 1 1 28 28 GLY C C 13 171.292 0.2 . 1 . . . . 70 GLY C . 18843 1 270 . 1 1 28 28 GLY CA C 13 44.694 0.2 . 1 . . . . 70 GLY CA . 18843 1 271 . 1 1 28 28 GLY N N 15 112.669 0.2 . 1 . . . . 70 GLY N . 18843 1 272 . 1 1 29 29 TRP H H 1 7.974 0.02 . 1 . . . . 71 TRP H . 18843 1 273 . 1 1 29 29 TRP HA H 1 5.379 0.02 . 1 . . . . 71 TRP HA . 18843 1 274 . 1 1 29 29 TRP HB2 H 1 3.097 0.02 . 2 . . . . 71 TRP HB2 . 18843 1 275 . 1 1 29 29 TRP HB3 H 1 2.899 0.02 . 2 . . . . 71 TRP HB3 . 18843 1 276 . 1 1 29 29 TRP HD1 H 1 6.696 0.02 . 1 . . . . 71 TRP HD1 . 18843 1 277 . 1 1 29 29 TRP HE1 H 1 9.854 0.02 . 1 . . . . 71 TRP HE1 . 18843 1 278 . 1 1 29 29 TRP HE3 H 1 6.972 0.02 . 1 . . . . 71 TRP HE3 . 18843 1 279 . 1 1 29 29 TRP HZ2 H 1 7.350 0.02 . 1 . . . . 71 TRP HZ2 . 18843 1 280 . 1 1 29 29 TRP HZ3 H 1 6.724 0.02 . 1 . . . . 71 TRP HZ3 . 18843 1 281 . 1 1 29 29 TRP HH2 H 1 7.203 0.02 . 1 . . . . 71 TRP HH2 . 18843 1 282 . 1 1 29 29 TRP C C 13 175.144 0.2 . 1 . . . . 71 TRP C . 18843 1 283 . 1 1 29 29 TRP CA C 13 55.306 0.2 . 1 . . . . 71 TRP CA . 18843 1 284 . 1 1 29 29 TRP CB C 13 32.946 0.2 . 1 . . . . 71 TRP CB . 18843 1 285 . 1 1 29 29 TRP CD1 C 13 126.929 0.2 . 1 . . . . 71 TRP CD1 . 18843 1 286 . 1 1 29 29 TRP CE3 C 13 118.107 0.2 . 1 . . . . 71 TRP CE3 . 18843 1 287 . 1 1 29 29 TRP CZ2 C 13 114.286 0.2 . 1 . . . . 71 TRP CZ2 . 18843 1 288 . 1 1 29 29 TRP CH2 C 13 123.445 0.2 . 1 . . . . 71 TRP CH2 . 18843 1 289 . 1 1 29 29 TRP N N 15 118.392 0.2 . 1 . . . . 71 TRP N . 18843 1 290 . 1 1 29 29 TRP NE1 N 15 128.841 0.2 . 1 . . . . 71 TRP NE1 . 18843 1 291 . 1 1 30 30 LYS H H 1 9.582 0.02 . 1 . . . . 72 LYS H . 18843 1 292 . 1 1 30 30 LYS HA H 1 4.999 0.02 . 1 . . . . 72 LYS HA . 18843 1 293 . 1 1 30 30 LYS HB2 H 1 1.857 0.02 . 2 . . . . 72 LYS HB2 . 18843 1 294 . 1 1 30 30 LYS HB3 H 1 2.106 0.02 . 2 . . . . 72 LYS HB3 . 18843 1 295 . 1 1 30 30 LYS HG2 H 1 1.249 0.02 . 2 . . . . 72 LYS HG2 . 18843 1 296 . 1 1 30 30 LYS HG3 H 1 1.325 0.02 . 2 . . . . 72 LYS HG3 . 18843 1 297 . 1 1 30 30 LYS HD2 H 1 1.627 0.02 . 2 . . . . 72 LYS HD2 . 18843 1 298 . 1 1 30 30 LYS HD3 H 1 1.536 0.02 . 2 . . . . 72 LYS HD3 . 18843 1 299 . 1 1 30 30 LYS HE2 H 1 2.796 0.02 . 2 . . . . 72 LYS HE2 . 18843 1 300 . 1 1 30 30 LYS HE3 H 1 2.976 0.02 . 2 . . . . 72 LYS HE3 . 18843 1 301 . 1 1 30 30 LYS C C 13 174.833 0.2 . 1 . . . . 72 LYS C . 18843 1 302 . 1 1 30 30 LYS CA C 13 55.259 0.2 . 1 . . . . 72 LYS CA . 18843 1 303 . 1 1 30 30 LYS CB C 13 36.208 0.2 . 1 . . . . 72 LYS CB . 18843 1 304 . 1 1 30 30 LYS CG C 13 23.443 0.2 . 1 . . . . 72 LYS CG . 18843 1 305 . 1 1 30 30 LYS CD C 13 29.976 0.2 . 1 . . . . 72 LYS CD . 18843 1 306 . 1 1 30 30 LYS CE C 13 42.153 0.2 . 1 . . . . 72 LYS CE . 18843 1 307 . 1 1 30 30 LYS N N 15 118.233 0.2 . 1 . . . . 72 LYS N . 18843 1 308 . 1 1 31 31 THR H H 1 7.856 0.02 . 1 . . . . 73 THR H . 18843 1 309 . 1 1 31 31 THR HA H 1 5.294 0.02 . 1 . . . . 73 THR HA . 18843 1 310 . 1 1 31 31 THR HB H 1 4.431 0.02 . 1 . . . . 73 THR HB . 18843 1 311 . 1 1 31 31 THR HG21 H 1 1.003 0.02 . 1 . . . . 73 THR HG21 . 18843 1 312 . 1 1 31 31 THR HG22 H 1 1.003 0.02 . 1 . . . . 73 THR HG22 . 18843 1 313 . 1 1 31 31 THR HG23 H 1 1.003 0.02 . 1 . . . . 73 THR HG23 . 18843 1 314 . 1 1 31 31 THR C C 13 177.956 0.2 . 1 . . . . 73 THR C . 18843 1 315 . 1 1 31 31 THR CA C 13 60.258 0.2 . 1 . . . . 73 THR CA . 18843 1 316 . 1 1 31 31 THR CB C 13 71.617 0.2 . 1 . . . . 73 THR CB . 18843 1 317 . 1 1 31 31 THR CG2 C 13 20.353 0.2 . 1 . . . . 73 THR CG2 . 18843 1 318 . 1 1 31 31 THR N N 15 107.686 0.2 . 1 . . . . 73 THR N . 18843 1 319 . 1 1 32 32 LEU H H 1 8.758 0.02 . 1 . . . . 74 LEU H . 18843 1 320 . 1 1 32 32 LEU HA H 1 4.568 0.02 . 1 . . . . 74 LEU HA . 18843 1 321 . 1 1 32 32 LEU HB2 H 1 1.549 0.02 . 2 . . . . 74 LEU HB2 . 18843 1 322 . 1 1 32 32 LEU HB3 H 1 1.541 0.02 . 2 . . . . 74 LEU HB3 . 18843 1 323 . 1 1 32 32 LEU HG H 1 1.710 0.02 . 1 . . . . 74 LEU HG . 18843 1 324 . 1 1 32 32 LEU HD11 H 1 0.996 0.02 . 2 . . . . 74 LEU HD11 . 18843 1 325 . 1 1 32 32 LEU HD12 H 1 0.996 0.02 . 2 . . . . 74 LEU HD12 . 18843 1 326 . 1 1 32 32 LEU HD13 H 1 0.996 0.02 . 2 . . . . 74 LEU HD13 . 18843 1 327 . 1 1 32 32 LEU HD21 H 1 1.002 0.02 . 2 . . . . 74 LEU HD21 . 18843 1 328 . 1 1 32 32 LEU HD22 H 1 1.002 0.02 . 2 . . . . 74 LEU HD22 . 18843 1 329 . 1 1 32 32 LEU HD23 H 1 1.002 0.02 . 2 . . . . 74 LEU HD23 . 18843 1 330 . 1 1 32 32 LEU C C 13 176.681 0.2 . 1 . . . . 74 LEU C . 18843 1 331 . 1 1 32 32 LEU CA C 13 54.807 0.2 . 1 . . . . 74 LEU CA . 18843 1 332 . 1 1 32 32 LEU CB C 13 41.181 0.2 . 1 . . . . 74 LEU CB . 18843 1 333 . 1 1 32 32 LEU CG C 13 27.488 0.2 . 1 . . . . 74 LEU CG . 18843 1 334 . 1 1 32 32 LEU CD1 C 13 25.549 0.2 . 2 . . . . 74 LEU CD1 . 18843 1 335 . 1 1 32 32 LEU CD2 C 13 25.494 0.2 . 2 . . . . 74 LEU CD2 . 18843 1 336 . 1 1 32 32 LEU N N 15 121.638 0.2 . 1 . . . . 74 LEU N . 18843 1 337 . 1 1 33 33 PRO HA H 1 4.441 0.02 . 1 . . . . 75 PRO HA . 18843 1 338 . 1 1 33 33 PRO HB2 H 1 2.292 0.02 . 2 . . . . 75 PRO HB2 . 18843 1 339 . 1 1 33 33 PRO HB3 H 1 1.953 0.02 . 2 . . . . 75 PRO HB3 . 18843 1 340 . 1 1 33 33 PRO HG2 H 1 2.024 0.02 . 2 . . . . 75 PRO HG2 . 18843 1 341 . 1 1 33 33 PRO HG3 H 1 2.200 0.02 . 2 . . . . 75 PRO HG3 . 18843 1 342 . 1 1 33 33 PRO HD2 H 1 3.907 0.02 . 2 . . . . 75 PRO HD2 . 18843 1 343 . 1 1 33 33 PRO HD3 H 1 3.603 0.02 . 2 . . . . 75 PRO HD3 . 18843 1 344 . 1 1 33 33 PRO C C 13 178.599 0.2 . 1 . . . . 75 PRO C . 18843 1 345 . 1 1 33 33 PRO CA C 13 64.593 0.2 . 1 . . . . 75 PRO CA . 18843 1 346 . 1 1 33 33 PRO CB C 13 30.857 0.2 . 1 . . . . 75 PRO CB . 18843 1 347 . 1 1 33 33 PRO CG C 13 28.154 0.2 . 1 . . . . 75 PRO CG . 18843 1 348 . 1 1 33 33 PRO CD C 13 50.271 0.2 . 1 . . . . 75 PRO CD . 18843 1 349 . 1 1 34 34 GLY H H 1 9.030 0.02 . 1 . . . . 76 GLY H . 18843 1 350 . 1 1 34 34 GLY HA2 H 1 4.085 0.02 . 2 . . . . 76 GLY HA2 . 18843 1 351 . 1 1 34 34 GLY HA3 H 1 3.803 0.02 . 2 . . . . 76 GLY HA3 . 18843 1 352 . 1 1 34 34 GLY C C 13 174.646 0.2 . 1 . . . . 76 GLY C . 18843 1 353 . 1 1 34 34 GLY CA C 13 45.923 0.2 . 1 . . . . 76 GLY CA . 18843 1 354 . 1 1 34 34 GLY N N 15 115.628 0.2 . 1 . . . . 76 GLY N . 18843 1 355 . 1 1 35 35 GLY H H 1 8.456 0.02 . 1 . . . . 77 GLY H . 18843 1 356 . 1 1 35 35 GLY HA2 H 1 3.905 0.02 . 2 . . . . 77 GLY HA2 . 18843 1 357 . 1 1 35 35 GLY HA3 H 1 4.402 0.02 . 2 . . . . 77 GLY HA3 . 18843 1 358 . 1 1 35 35 GLY C C 13 173.629 0.2 . 1 . . . . 77 GLY C . 18843 1 359 . 1 1 35 35 GLY CA C 13 44.250 0.2 . 1 . . . . 77 GLY CA . 18843 1 360 . 1 1 35 35 GLY N N 15 108.712 0.2 . 1 . . . . 77 GLY N . 18843 1 361 . 1 1 36 36 ASN H H 1 8.233 0.02 . 1 . . . . 78 ASN H . 18843 1 362 . 1 1 36 36 ASN HA H 1 4.908 0.02 . 1 . . . . 78 ASN HA . 18843 1 363 . 1 1 36 36 ASN HB2 H 1 3.132 0.02 . 2 . . . . 78 ASN HB2 . 18843 1 364 . 1 1 36 36 ASN HB3 H 1 2.702 0.02 . 2 . . . . 78 ASN HB3 . 18843 1 365 . 1 1 36 36 ASN HD21 H 1 7.462 0.02 . 1 . . . . 78 ASN HD21 . 18843 1 366 . 1 1 36 36 ASN HD22 H 1 6.699 0.02 . 1 . . . . 78 ASN HD22 . 18843 1 367 . 1 1 36 36 ASN C C 13 173.595 0.2 . 1 . . . . 78 ASN C . 18843 1 368 . 1 1 36 36 ASN CA C 13 52.047 0.2 . 1 . . . . 78 ASN CA . 18843 1 369 . 1 1 36 36 ASN CB C 13 39.014 0.2 . 1 . . . . 78 ASN CB . 18843 1 370 . 1 1 36 36 ASN N N 15 114.578 0.2 . 1 . . . . 78 ASN N . 18843 1 371 . 1 1 36 36 ASN ND2 N 15 110.232 0.2 . 1 . . . . 78 ASN ND2 . 18843 1 372 . 1 1 37 37 GLN H H 1 7.564 0.02 . 1 . . . . 79 GLN H . 18843 1 373 . 1 1 37 37 GLN HA H 1 4.983 0.02 . 1 . . . . 79 GLN HA . 18843 1 374 . 1 1 37 37 GLN HB2 H 1 1.815 0.02 . 2 . . . . 79 GLN HB2 . 18843 1 375 . 1 1 37 37 GLN HB3 H 1 2.106 0.02 . 2 . . . . 79 GLN HB3 . 18843 1 376 . 1 1 37 37 GLN HG2 H 1 2.381 0.02 . 2 . . . . 79 GLN HG2 . 18843 1 377 . 1 1 37 37 GLN HG3 H 1 2.276 0.02 . 2 . . . . 79 GLN HG3 . 18843 1 378 . 1 1 37 37 GLN HE21 H 1 7.374 0.02 . 1 . . . . 79 GLN HE21 . 18843 1 379 . 1 1 37 37 GLN HE22 H 1 6.768 0.02 . 1 . . . . 79 GLN HE22 . 18843 1 380 . 1 1 37 37 GLN C C 13 177.181 0.2 . 1 . . . . 79 GLN C . 18843 1 381 . 1 1 37 37 GLN CA C 13 54.485 0.2 . 1 . . . . 79 GLN CA . 18843 1 382 . 1 1 37 37 GLN CB C 13 33.726 0.2 . 1 . . . . 79 GLN CB . 18843 1 383 . 1 1 37 37 GLN CG C 13 33.750 0.2 . 1 . . . . 79 GLN CG . 18843 1 384 . 1 1 37 37 GLN N N 15 113.617 0.2 . 1 . . . . 79 GLN N . 18843 1 385 . 1 1 37 37 GLN NE2 N 15 111.522 0.2 . 1 . . . . 79 GLN NE2 . 18843 1 386 . 1 1 38 38 CYS H H 1 8.444 0.02 . 1 . . . . 80 CYS H . 18843 1 387 . 1 1 38 38 CYS HA H 1 4.404 0.02 . 1 . . . . 80 CYS HA . 18843 1 388 . 1 1 38 38 CYS HB2 H 1 2.988 0.02 . 2 . . . . 80 CYS HB2 . 18843 1 389 . 1 1 38 38 CYS HB3 H 1 2.613 0.02 . 2 . . . . 80 CYS HB3 . 18843 1 390 . 1 1 38 38 CYS C C 13 173.831 0.2 . 1 . . . . 80 CYS C . 18843 1 391 . 1 1 38 38 CYS CA C 13 55.097 0.2 . 1 . . . . 80 CYS CA . 18843 1 392 . 1 1 38 38 CYS CB C 13 38.503 0.2 . 1 . . . . 80 CYS CB . 18843 1 393 . 1 1 38 38 CYS N N 15 120.785 0.2 . 1 . . . . 80 CYS N . 18843 1 394 . 1 1 39 39 ILE H H 1 7.396 0.02 . 1 . . . . 81 ILE H . 18843 1 395 . 1 1 39 39 ILE HA H 1 4.533 0.02 . 1 . . . . 81 ILE HA . 18843 1 396 . 1 1 39 39 ILE HB H 1 2.236 0.02 . 1 . . . . 81 ILE HB . 18843 1 397 . 1 1 39 39 ILE HG12 H 1 1.280 0.02 . 2 . . . . 81 ILE HG12 . 18843 1 398 . 1 1 39 39 ILE HG13 H 1 1.104 0.02 . 2 . . . . 81 ILE HG13 . 18843 1 399 . 1 1 39 39 ILE HG21 H 1 0.750 0.02 . 1 . . . . 81 ILE HG21 . 18843 1 400 . 1 1 39 39 ILE HG22 H 1 0.750 0.02 . 1 . . . . 81 ILE HG22 . 18843 1 401 . 1 1 39 39 ILE HG23 H 1 0.750 0.02 . 1 . . . . 81 ILE HG23 . 18843 1 402 . 1 1 39 39 ILE HD11 H 1 0.909 0.02 . 1 . . . . 81 ILE HD11 . 18843 1 403 . 1 1 39 39 ILE HD12 H 1 0.909 0.02 . 1 . . . . 81 ILE HD12 . 18843 1 404 . 1 1 39 39 ILE HD13 H 1 0.909 0.02 . 1 . . . . 81 ILE HD13 . 18843 1 405 . 1 1 39 39 ILE C C 13 176.210 0.2 . 1 . . . . 81 ILE C . 18843 1 406 . 1 1 39 39 ILE CA C 13 60.517 0.2 . 1 . . . . 81 ILE CA . 18843 1 407 . 1 1 39 39 ILE CB C 13 40.098 0.2 . 1 . . . . 81 ILE CB . 18843 1 408 . 1 1 39 39 ILE CG1 C 13 26.218 0.2 . 1 . . . . 81 ILE CG1 . 18843 1 409 . 1 1 39 39 ILE CG2 C 13 18.583 0.2 . 1 . . . . 81 ILE CG2 . 18843 1 410 . 1 1 39 39 ILE CD1 C 13 14.076 0.2 . 1 . . . . 81 ILE CD1 . 18843 1 411 . 1 1 39 39 ILE N N 15 110.779 0.2 . 1 . . . . 81 ILE N . 18843 1 412 . 1 1 40 40 VAL H H 1 9.072 0.02 . 1 . . . . 82 VAL H . 18843 1 413 . 1 1 40 40 VAL HA H 1 4.681 0.02 . 1 . . . . 82 VAL HA . 18843 1 414 . 1 1 40 40 VAL HB H 1 2.043 0.02 . 1 . . . . 82 VAL HB . 18843 1 415 . 1 1 40 40 VAL HG11 H 1 0.909 0.02 . 2 . . . . 82 VAL HG11 . 18843 1 416 . 1 1 40 40 VAL HG12 H 1 0.909 0.02 . 2 . . . . 82 VAL HG12 . 18843 1 417 . 1 1 40 40 VAL HG13 H 1 0.909 0.02 . 2 . . . . 82 VAL HG13 . 18843 1 418 . 1 1 40 40 VAL HG21 H 1 0.900 0.02 . 2 . . . . 82 VAL HG21 . 18843 1 419 . 1 1 40 40 VAL HG22 H 1 0.900 0.02 . 2 . . . . 82 VAL HG22 . 18843 1 420 . 1 1 40 40 VAL HG23 H 1 0.900 0.02 . 2 . . . . 82 VAL HG23 . 18843 1 421 . 1 1 40 40 VAL C C 13 173.109 0.2 . 1 . . . . 82 VAL C . 18843 1 422 . 1 1 40 40 VAL CA C 13 59.832 0.2 . 1 . . . . 82 VAL CA . 18843 1 423 . 1 1 40 40 VAL CB C 13 32.277 0.2 . 1 . . . . 82 VAL CB . 18843 1 424 . 1 1 40 40 VAL CG1 C 13 20.770 0.2 . 2 . . . . 82 VAL CG1 . 18843 1 425 . 1 1 40 40 VAL CG2 C 13 20.734 0.2 . 2 . . . . 82 VAL CG2 . 18843 1 426 . 1 1 40 40 VAL N N 15 126.768 0.2 . 1 . . . . 82 VAL N . 18843 1 427 . 1 1 41 41 PRO HA H 1 4.157 0.02 . 1 . . . . 83 PRO HA . 18843 1 428 . 1 1 41 41 PRO HB2 H 1 0.936 0.02 . 2 . . . . 83 PRO HB2 . 18843 1 429 . 1 1 41 41 PRO HB3 H 1 0.628 0.02 . 2 . . . . 83 PRO HB3 . 18843 1 430 . 1 1 41 41 PRO HG2 H 1 1.506 0.02 . 2 . . . . 83 PRO HG2 . 18843 1 431 . 1 1 41 41 PRO HG3 H 1 1.509 0.02 . 2 . . . . 83 PRO HG3 . 18843 1 432 . 1 1 41 41 PRO HD2 H 1 3.908 0.02 . 2 . . . . 83 PRO HD2 . 18843 1 433 . 1 1 41 41 PRO HD3 H 1 4.015 0.02 . 2 . . . . 83 PRO HD3 . 18843 1 434 . 1 1 41 41 PRO C C 13 175.397 0.2 . 1 . . . . 83 PRO C . 18843 1 435 . 1 1 41 41 PRO CA C 13 61.521 0.2 . 1 . . . . 83 PRO CA . 18843 1 436 . 1 1 41 41 PRO CB C 13 30.349 0.2 . 1 . . . . 83 PRO CB . 18843 1 437 . 1 1 41 41 PRO CG C 13 26.384 0.2 . 1 . . . . 83 PRO CG . 18843 1 438 . 1 1 41 41 PRO CD C 13 50.353 0.2 . 1 . . . . 83 PRO CD . 18843 1 439 . 1 1 42 42 ILE H H 1 7.809 0.02 . 1 . . . . 84 ILE H . 18843 1 440 . 1 1 42 42 ILE HA H 1 3.912 0.02 . 1 . . . . 84 ILE HA . 18843 1 441 . 1 1 42 42 ILE HB H 1 1.247 0.02 . 1 . . . . 84 ILE HB . 18843 1 442 . 1 1 42 42 ILE HG12 H 1 1.258 0.02 . 2 . . . . 84 ILE HG12 . 18843 1 443 . 1 1 42 42 ILE HG13 H 1 0.629 0.02 . 2 . . . . 84 ILE HG13 . 18843 1 444 . 1 1 42 42 ILE HG21 H 1 0.633 0.02 . 1 . . . . 84 ILE HG21 . 18843 1 445 . 1 1 42 42 ILE HG22 H 1 0.633 0.02 . 1 . . . . 84 ILE HG22 . 18843 1 446 . 1 1 42 42 ILE HG23 H 1 0.633 0.02 . 1 . . . . 84 ILE HG23 . 18843 1 447 . 1 1 42 42 ILE HD11 H 1 0.632 0.02 . 1 . . . . 84 ILE HD11 . 18843 1 448 . 1 1 42 42 ILE HD12 H 1 0.632 0.02 . 1 . . . . 84 ILE HD12 . 18843 1 449 . 1 1 42 42 ILE HD13 H 1 0.632 0.02 . 1 . . . . 84 ILE HD13 . 18843 1 450 . 1 1 42 42 ILE C C 13 176.271 0.2 . 1 . . . . 84 ILE C . 18843 1 451 . 1 1 42 42 ILE CA C 13 60.991 0.2 . 1 . . . . 84 ILE CA . 18843 1 452 . 1 1 42 42 ILE CB C 13 39.525 0.2 . 1 . . . . 84 ILE CB . 18843 1 453 . 1 1 42 42 ILE CG1 C 13 27.240 0.2 . 1 . . . . 84 ILE CG1 . 18843 1 454 . 1 1 42 42 ILE CG2 C 13 17.097 0.2 . 1 . . . . 84 ILE CG2 . 18843 1 455 . 1 1 42 42 ILE CD1 C 13 14.030 0.2 . 1 . . . . 84 ILE CD1 . 18843 1 456 . 1 1 42 42 ILE N N 15 118.667 0.2 . 1 . . . . 84 ILE N . 18843 1 457 . 1 1 43 43 CYS H H 1 8.790 0.02 . 1 . . . . 85 CYS H . 18843 1 458 . 1 1 43 43 CYS HA H 1 4.939 0.02 . 1 . . . . 85 CYS HA . 18843 1 459 . 1 1 43 43 CYS HB2 H 1 3.040 0.02 . 2 . . . . 85 CYS HB2 . 18843 1 460 . 1 1 43 43 CYS HB3 H 1 3.028 0.02 . 2 . . . . 85 CYS HB3 . 18843 1 461 . 1 1 43 43 CYS C C 13 173.883 0.2 . 1 . . . . 85 CYS C . 18843 1 462 . 1 1 43 43 CYS CA C 13 59.167 0.2 . 1 . . . . 85 CYS CA . 18843 1 463 . 1 1 43 43 CYS CB C 13 39.104 0.2 . 1 . . . . 85 CYS CB . 18843 1 464 . 1 1 43 43 CYS N N 15 127.940 0.2 . 1 . . . . 85 CYS N . 18843 1 465 . 1 1 44 44 ARG H H 1 8.591 0.02 . 1 . . . . 86 ARG H . 18843 1 466 . 1 1 44 44 ARG HA H 1 3.928 0.02 . 1 . . . . 86 ARG HA . 18843 1 467 . 1 1 44 44 ARG HB2 H 1 1.568 0.02 . 2 . . . . 86 ARG HB2 . 18843 1 468 . 1 1 44 44 ARG HB3 H 1 1.584 0.02 . 2 . . . . 86 ARG HB3 . 18843 1 469 . 1 1 44 44 ARG HG2 H 1 1.350 0.02 . 2 . . . . 86 ARG HG2 . 18843 1 470 . 1 1 44 44 ARG HG3 H 1 1.358 0.02 . 2 . . . . 86 ARG HG3 . 18843 1 471 . 1 1 44 44 ARG HD2 H 1 3.058 0.02 . 2 . . . . 86 ARG HD2 . 18843 1 472 . 1 1 44 44 ARG HD3 H 1 3.046 0.02 . 2 . . . . 86 ARG HD3 . 18843 1 473 . 1 1 44 44 ARG C C 13 175.943 0.2 . 1 . . . . 86 ARG C . 18843 1 474 . 1 1 44 44 ARG CA C 13 57.567 0.2 . 1 . . . . 86 ARG CA . 18843 1 475 . 1 1 44 44 ARG CB C 13 30.111 0.2 . 1 . . . . 86 ARG CB . 18843 1 476 . 1 1 44 44 ARG CG C 13 27.059 0.2 . 1 . . . . 86 ARG CG . 18843 1 477 . 1 1 44 44 ARG CD C 13 43.088 0.2 . 1 . . . . 86 ARG CD . 18843 1 478 . 1 1 44 44 ARG N N 15 123.616 0.2 . 1 . . . . 86 ARG N . 18843 1 479 . 1 1 45 45 HIS H H 1 8.253 0.02 . 1 . . . . 87 HIS H . 18843 1 480 . 1 1 45 45 HIS HA H 1 4.796 0.02 . 1 . . . . 87 HIS HA . 18843 1 481 . 1 1 45 45 HIS HB2 H 1 3.166 0.02 . 2 . . . . 87 HIS HB2 . 18843 1 482 . 1 1 45 45 HIS HB3 H 1 3.156 0.02 . 2 . . . . 87 HIS HB3 . 18843 1 483 . 1 1 45 45 HIS HD2 H 1 7.131 0.02 . 1 . . . . 87 HIS HD2 . 18843 1 484 . 1 1 45 45 HIS C C 13 173.883 0.2 . 1 . . . . 87 HIS C . 18843 1 485 . 1 1 45 45 HIS CA C 13 53.411 0.2 . 1 . . . . 87 HIS CA . 18843 1 486 . 1 1 45 45 HIS CB C 13 30.736 0.2 . 1 . . . . 87 HIS CB . 18843 1 487 . 1 1 45 45 HIS CD2 C 13 120.009 0.2 . 1 . . . . 87 HIS CD2 . 18843 1 488 . 1 1 45 45 HIS N N 15 116.500 0.2 . 1 . . . . 87 HIS N . 18843 1 489 . 1 1 46 46 SER H H 1 8.374 0.02 . 1 . . . . 88 SER H . 18843 1 490 . 1 1 46 46 SER HA H 1 4.255 0.02 . 1 . . . . 88 SER HA . 18843 1 491 . 1 1 46 46 SER HB2 H 1 4.083 0.02 . 2 . . . . 88 SER HB2 . 18843 1 492 . 1 1 46 46 SER HB3 H 1 3.764 0.02 . 2 . . . . 88 SER HB3 . 18843 1 493 . 1 1 46 46 SER C C 13 177.147 0.2 . 1 . . . . 88 SER C . 18843 1 494 . 1 1 46 46 SER CA C 13 58.618 0.2 . 1 . . . . 88 SER CA . 18843 1 495 . 1 1 46 46 SER CB C 13 63.902 0.2 . 1 . . . . 88 SER CB . 18843 1 496 . 1 1 46 46 SER N N 15 113.028 0.2 . 1 . . . . 88 SER N . 18843 1 497 . 1 1 47 47 CYS H H 1 8.861 0.02 . 1 . . . . 89 CYS H . 18843 1 498 . 1 1 47 47 CYS HA H 1 4.899 0.02 . 1 . . . . 89 CYS HA . 18843 1 499 . 1 1 47 47 CYS HB2 H 1 2.913 0.02 . 2 . . . . 89 CYS HB2 . 18843 1 500 . 1 1 47 47 CYS HB3 H 1 2.378 0.02 . 2 . . . . 89 CYS HB3 . 18843 1 501 . 1 1 47 47 CYS C C 13 175.496 0.2 . 1 . . . . 89 CYS C . 18843 1 502 . 1 1 47 47 CYS CA C 13 53.508 0.2 . 1 . . . . 89 CYS CA . 18843 1 503 . 1 1 47 47 CYS CB C 13 36.656 0.2 . 1 . . . . 89 CYS CB . 18843 1 504 . 1 1 47 47 CYS N N 15 124.394 0.2 . 1 . . . . 89 CYS N . 18843 1 505 . 1 1 48 48 GLY H H 1 8.579 0.02 . 1 . . . . 90 GLY H . 18843 1 506 . 1 1 48 48 GLY HA2 H 1 3.545 0.02 . 2 . . . . 90 GLY HA2 . 18843 1 507 . 1 1 48 48 GLY HA3 H 1 3.787 0.02 . 2 . . . . 90 GLY HA3 . 18843 1 508 . 1 1 48 48 GLY C C 13 174.913 0.2 . 1 . . . . 90 GLY C . 18843 1 509 . 1 1 48 48 GLY CA C 13 47.484 0.2 . 1 . . . . 90 GLY CA . 18843 1 510 . 1 1 48 48 GLY N N 15 111.201 0.2 . 1 . . . . 90 GLY N . 18843 1 511 . 1 1 49 49 ASP H H 1 8.842 0.02 . 1 . . . . 91 ASP H . 18843 1 512 . 1 1 49 49 ASP HA H 1 4.681 0.02 . 1 . . . . 91 ASP HA . 18843 1 513 . 1 1 49 49 ASP HB2 H 1 2.581 0.02 . 2 . . . . 91 ASP HB2 . 18843 1 514 . 1 1 49 49 ASP HB3 H 1 2.854 0.02 . 2 . . . . 91 ASP HB3 . 18843 1 515 . 1 1 49 49 ASP C C 13 177.265 0.2 . 1 . . . . 91 ASP C . 18843 1 516 . 1 1 49 49 ASP CA C 13 54.940 0.2 . 1 . . . . 91 ASP CA . 18843 1 517 . 1 1 49 49 ASP CB C 13 40.649 0.2 . 1 . . . . 91 ASP CB . 18843 1 518 . 1 1 49 49 ASP N N 15 126.582 0.2 . 1 . . . . 91 ASP N . 18843 1 519 . 1 1 50 50 GLY H H 1 8.398 0.02 . 1 . . . . 92 GLY H . 18843 1 520 . 1 1 50 50 GLY HA2 H 1 4.607 0.02 . 2 . . . . 92 GLY HA2 . 18843 1 521 . 1 1 50 50 GLY HA3 H 1 4.189 0.02 . 2 . . . . 92 GLY HA3 . 18843 1 522 . 1 1 50 50 GLY C C 13 171.298 0.2 . 1 . . . . 92 GLY C . 18843 1 523 . 1 1 50 50 GLY CA C 13 44.744 0.2 . 1 . . . . 92 GLY CA . 18843 1 524 . 1 1 50 50 GLY N N 15 108.010 0.2 . 1 . . . . 92 GLY N . 18843 1 525 . 1 1 51 51 PHE H H 1 7.946 0.02 . 1 . . . . 93 PHE H . 18843 1 526 . 1 1 51 51 PHE HA H 1 4.946 0.02 . 1 . . . . 93 PHE HA . 18843 1 527 . 1 1 51 51 PHE HB2 H 1 2.984 0.02 . 2 . . . . 93 PHE HB2 . 18843 1 528 . 1 1 51 51 PHE HB3 H 1 3.047 0.02 . 2 . . . . 93 PHE HB3 . 18843 1 529 . 1 1 51 51 PHE HD1 H 1 7.077 0.02 . 3 . . . . 93 PHE HD1 . 18843 1 530 . 1 1 51 51 PHE HD2 H 1 7.077 0.02 . 3 . . . . 93 PHE HD2 . 18843 1 531 . 1 1 51 51 PHE HE1 H 1 7.313 0.02 . 3 . . . . 93 PHE HE1 . 18843 1 532 . 1 1 51 51 PHE HE2 H 1 7.313 0.02 . 3 . . . . 93 PHE HE2 . 18843 1 533 . 1 1 51 51 PHE HZ H 1 7.350 0.02 . 1 . . . . 93 PHE HZ . 18843 1 534 . 1 1 51 51 PHE C C 13 172.960 0.2 . 1 . . . . 93 PHE C . 18843 1 535 . 1 1 51 51 PHE CA C 13 55.166 0.2 . 1 . . . . 93 PHE CA . 18843 1 536 . 1 1 51 51 PHE CB C 13 41.793 0.2 . 1 . . . . 93 PHE CB . 18843 1 537 . 1 1 51 51 PHE CD1 C 13 133.289 0.2 . 3 . . . . 93 PHE CD1 . 18843 1 538 . 1 1 51 51 PHE CD2 C 13 133.289 0.2 . 3 . . . . 93 PHE CD2 . 18843 1 539 . 1 1 51 51 PHE CE1 C 13 131.060 0.2 . 3 . . . . 93 PHE CE1 . 18843 1 540 . 1 1 51 51 PHE CE2 C 13 131.060 0.2 . 3 . . . . 93 PHE CE2 . 18843 1 541 . 1 1 51 51 PHE CZ C 13 129.638 0.2 . 1 . . . . 93 PHE CZ . 18843 1 542 . 1 1 51 51 PHE N N 15 113.616 0.2 . 1 . . . . 93 PHE N . 18843 1 543 . 1 1 52 52 CYS H H 1 8.925 0.02 . 1 . . . . 94 CYS H . 18843 1 544 . 1 1 52 52 CYS HA H 1 4.794 0.02 . 1 . . . . 94 CYS HA . 18843 1 545 . 1 1 52 52 CYS HB2 H 1 2.969 0.02 . 2 . . . . 94 CYS HB2 . 18843 1 546 . 1 1 52 52 CYS HB3 H 1 3.061 0.02 . 2 . . . . 94 CYS HB3 . 18843 1 547 . 1 1 52 52 CYS C C 13 174.243 0.2 . 1 . . . . 94 CYS C . 18843 1 548 . 1 1 52 52 CYS CA C 13 57.114 0.2 . 1 . . . . 94 CYS CA . 18843 1 549 . 1 1 52 52 CYS CB C 13 40.224 0.2 . 1 . . . . 94 CYS CB . 18843 1 550 . 1 1 52 52 CYS N N 15 123.531 0.2 . 1 . . . . 94 CYS N . 18843 1 551 . 1 1 53 53 SER H H 1 9.142 0.02 . 1 . . . . 95 SER H . 18843 1 552 . 1 1 53 53 SER HA H 1 4.793 0.02 . 1 . . . . 95 SER HA . 18843 1 553 . 1 1 53 53 SER HB2 H 1 3.890 0.02 . 2 . . . . 95 SER HB2 . 18843 1 554 . 1 1 53 53 SER HB3 H 1 3.496 0.02 . 2 . . . . 95 SER HB3 . 18843 1 555 . 1 1 53 53 SER C C 13 174.296 0.2 . 1 . . . . 95 SER C . 18843 1 556 . 1 1 53 53 SER CA C 13 58.439 0.2 . 1 . . . . 95 SER CA . 18843 1 557 . 1 1 53 53 SER CB C 13 65.403 0.2 . 1 . . . . 95 SER CB . 18843 1 558 . 1 1 53 53 SER N N 15 124.879 0.2 . 1 . . . . 95 SER N . 18843 1 559 . 1 1 54 54 ARG H H 1 8.509 0.02 . 1 . . . . 96 ARG H . 18843 1 560 . 1 1 54 54 ARG HA H 1 4.054 0.02 . 1 . . . . 96 ARG HA . 18843 1 561 . 1 1 54 54 ARG HB2 H 1 1.471 0.02 . 2 . . . . 96 ARG HB2 . 18843 1 562 . 1 1 54 54 ARG HB3 H 1 1.986 0.02 . 2 . . . . 96 ARG HB3 . 18843 1 563 . 1 1 54 54 ARG HG2 H 1 1.724 0.02 . 2 . . . . 96 ARG HG2 . 18843 1 564 . 1 1 54 54 ARG HG3 H 1 1.725 0.02 . 2 . . . . 96 ARG HG3 . 18843 1 565 . 1 1 54 54 ARG HD2 H 1 3.223 0.02 . 2 . . . . 96 ARG HD2 . 18843 1 566 . 1 1 54 54 ARG HD3 H 1 3.227 0.02 . 2 . . . . 96 ARG HD3 . 18843 1 567 . 1 1 54 54 ARG C C 13 171.184 0.2 . 1 . . . . 96 ARG C . 18843 1 568 . 1 1 54 54 ARG CA C 13 54.495 0.2 . 1 . . . . 96 ARG CA . 18843 1 569 . 1 1 54 54 ARG CB C 13 31.746 0.2 . 1 . . . . 96 ARG CB . 18843 1 570 . 1 1 54 54 ARG CG C 13 28.120 0.2 . 1 . . . . 96 ARG CG . 18843 1 571 . 1 1 54 54 ARG CD C 13 43.524 0.2 . 1 . . . . 96 ARG CD . 18843 1 572 . 1 1 54 54 ARG N N 15 124.785 0.2 . 1 . . . . 96 ARG N . 18843 1 573 . 1 1 55 55 PRO HA H 1 3.953 0.02 . 1 . . . . 97 PRO HA . 18843 1 574 . 1 1 55 55 PRO HB2 H 1 2.001 0.02 . 2 . . . . 97 PRO HB2 . 18843 1 575 . 1 1 55 55 PRO HB3 H 1 1.699 0.02 . 2 . . . . 97 PRO HB3 . 18843 1 576 . 1 1 55 55 PRO HG2 H 1 1.696 0.02 . 2 . . . . 97 PRO HG2 . 18843 1 577 . 1 1 55 55 PRO HG3 H 1 0.763 0.02 . 2 . . . . 97 PRO HG3 . 18843 1 578 . 1 1 55 55 PRO HD2 H 1 3.319 0.02 . 2 . . . . 97 PRO HD2 . 18843 1 579 . 1 1 55 55 PRO HD3 H 1 2.766 0.02 . 2 . . . . 97 PRO HD3 . 18843 1 580 . 1 1 55 55 PRO C C 13 176.876 0.2 . 1 . . . . 97 PRO C . 18843 1 581 . 1 1 55 55 PRO CA C 13 65.061 0.2 . 1 . . . . 97 PRO CA . 18843 1 582 . 1 1 55 55 PRO CB C 13 31.053 0.2 . 1 . . . . 97 PRO CB . 18843 1 583 . 1 1 55 55 PRO CG C 13 27.484 0.2 . 1 . . . . 97 PRO CG . 18843 1 584 . 1 1 55 55 PRO CD C 13 49.992 0.2 . 1 . . . . 97 PRO CD . 18843 1 585 . 1 1 56 56 ASN H H 1 8.733 0.02 . 1 . . . . 98 ASN H . 18843 1 586 . 1 1 56 56 ASN HA H 1 4.438 0.02 . 1 . . . . 98 ASN HA . 18843 1 587 . 1 1 56 56 ASN HB2 H 1 3.116 0.02 . 2 . . . . 98 ASN HB2 . 18843 1 588 . 1 1 56 56 ASN HB3 H 1 2.826 0.02 . 2 . . . . 98 ASN HB3 . 18843 1 589 . 1 1 56 56 ASN HD21 H 1 6.689 0.02 . 1 . . . . 98 ASN HD21 . 18843 1 590 . 1 1 56 56 ASN HD22 H 1 7.566 0.02 . 1 . . . . 98 ASN HD22 . 18843 1 591 . 1 1 56 56 ASN C C 13 173.049 0.2 . 1 . . . . 98 ASN C . 18843 1 592 . 1 1 56 56 ASN CA C 13 55.097 0.2 . 1 . . . . 98 ASN CA . 18843 1 593 . 1 1 56 56 ASN CB C 13 38.531 0.2 . 1 . . . . 98 ASN CB . 18843 1 594 . 1 1 56 56 ASN N N 15 120.164 0.2 . 1 . . . . 98 ASN N . 18843 1 595 . 1 1 56 56 ASN ND2 N 15 113.541 0.2 . 1 . . . . 98 ASN ND2 . 18843 1 596 . 1 1 57 57 MET H H 1 8.396 0.02 . 1 . . . . 99 MET H . 18843 1 597 . 1 1 57 57 MET HA H 1 4.689 0.02 . 1 . . . . 99 MET HA . 18843 1 598 . 1 1 57 57 MET HB2 H 1 1.503 0.02 . 2 . . . . 99 MET HB2 . 18843 1 599 . 1 1 57 57 MET HB3 H 1 1.502 0.02 . 2 . . . . 99 MET HB3 . 18843 1 600 . 1 1 57 57 MET HG2 H 1 2.267 0.02 . 2 . . . . 99 MET HG2 . 18843 1 601 . 1 1 57 57 MET HG3 H 1 2.354 0.02 . 2 . . . . 99 MET HG3 . 18843 1 602 . 1 1 57 57 MET HE1 H 1 1.959 0.02 . 1 . . . . 99 MET HE1 . 18843 1 603 . 1 1 57 57 MET HE2 H 1 1.959 0.02 . 1 . . . . 99 MET HE2 . 18843 1 604 . 1 1 57 57 MET HE3 H 1 1.959 0.02 . 1 . . . . 99 MET HE3 . 18843 1 605 . 1 1 57 57 MET C C 13 172.820 0.2 . 1 . . . . 99 MET C . 18843 1 606 . 1 1 57 57 MET CA C 13 54.685 0.2 . 1 . . . . 99 MET CA . 18843 1 607 . 1 1 57 57 MET CB C 13 35.903 0.2 . 1 . . . . 99 MET CB . 18843 1 608 . 1 1 57 57 MET CG C 13 32.591 0.2 . 1 . . . . 99 MET CG . 18843 1 609 . 1 1 57 57 MET CE C 13 17.259 0.2 . 1 . . . . 99 MET CE . 18843 1 610 . 1 1 57 57 MET N N 15 119.715 0.2 . 1 . . . . 99 MET N . 18843 1 611 . 1 1 58 58 CYS H H 1 8.545 0.02 . 1 . . . . 100 CYS H . 18843 1 612 . 1 1 58 58 CYS HA H 1 5.205 0.02 . 1 . . . . 100 CYS HA . 18843 1 613 . 1 1 58 58 CYS HB2 H 1 2.563 0.02 . 2 . . . . 100 CYS HB2 . 18843 1 614 . 1 1 58 58 CYS HB3 H 1 2.663 0.02 . 2 . . . . 100 CYS HB3 . 18843 1 615 . 1 1 58 58 CYS C C 13 174.376 0.2 . 1 . . . . 100 CYS C . 18843 1 616 . 1 1 58 58 CYS CA C 13 52.760 0.2 . 1 . . . . 100 CYS CA . 18843 1 617 . 1 1 58 58 CYS CB C 13 41.729 0.2 . 1 . . . . 100 CYS CB . 18843 1 618 . 1 1 58 58 CYS N N 15 121.382 0.2 . 1 . . . . 100 CYS N . 18843 1 619 . 1 1 59 59 THR H H 1 8.841 0.02 . 1 . . . . 101 THR H . 18843 1 620 . 1 1 59 59 THR HA H 1 4.420 0.02 . 1 . . . . 101 THR HA . 18843 1 621 . 1 1 59 59 THR HB H 1 2.764 0.02 . 1 . . . . 101 THR HB . 18843 1 622 . 1 1 59 59 THR HG21 H 1 0.966 0.02 . 1 . . . . 101 THR HG21 . 18843 1 623 . 1 1 59 59 THR HG22 H 1 0.966 0.02 . 1 . . . . 101 THR HG22 . 18843 1 624 . 1 1 59 59 THR HG23 H 1 0.966 0.02 . 1 . . . . 101 THR HG23 . 18843 1 625 . 1 1 59 59 THR C C 13 175.101 0.2 . 1 . . . . 101 THR C . 18843 1 626 . 1 1 59 59 THR CA C 13 62.693 0.2 . 1 . . . . 101 THR CA . 18843 1 627 . 1 1 59 59 THR CB C 13 68.635 0.2 . 1 . . . . 101 THR CB . 18843 1 628 . 1 1 59 59 THR CG2 C 13 21.401 0.2 . 1 . . . . 101 THR CG2 . 18843 1 629 . 1 1 59 59 THR N N 15 117.306 0.2 . 1 . . . . 101 THR N . 18843 1 630 . 1 1 60 60 CYS H H 1 8.834 0.02 . 1 . . . . 102 CYS H . 18843 1 631 . 1 1 60 60 CYS HA H 1 5.157 0.02 . 1 . . . . 102 CYS HA . 18843 1 632 . 1 1 60 60 CYS HB2 H 1 2.584 0.02 . 2 . . . . 102 CYS HB2 . 18843 1 633 . 1 1 60 60 CYS HB3 H 1 3.539 0.02 . 2 . . . . 102 CYS HB3 . 18843 1 634 . 1 1 60 60 CYS C C 13 175.309 0.2 . 1 . . . . 102 CYS C . 18843 1 635 . 1 1 60 60 CYS CA C 13 52.402 0.2 . 1 . . . . 102 CYS CA . 18843 1 636 . 1 1 60 60 CYS CB C 13 35.886 0.2 . 1 . . . . 102 CYS CB . 18843 1 637 . 1 1 60 60 CYS N N 15 126.885 0.2 . 1 . . . . 102 CYS N . 18843 1 638 . 1 1 61 61 PRO HA H 1 4.384 0.02 . 1 . . . . 103 PRO HA . 18843 1 639 . 1 1 61 61 PRO HB2 H 1 2.425 0.02 . 2 . . . . 103 PRO HB2 . 18843 1 640 . 1 1 61 61 PRO HB3 H 1 1.942 0.02 . 2 . . . . 103 PRO HB3 . 18843 1 641 . 1 1 61 61 PRO HG2 H 1 1.930 0.02 . 2 . . . . 103 PRO HG2 . 18843 1 642 . 1 1 61 61 PRO HG3 H 1 2.134 0.02 . 2 . . . . 103 PRO HG3 . 18843 1 643 . 1 1 61 61 PRO HD2 H 1 3.530 0.02 . 2 . . . . 103 PRO HD2 . 18843 1 644 . 1 1 61 61 PRO HD3 H 1 3.849 0.02 . 2 . . . . 103 PRO HD3 . 18843 1 645 . 1 1 61 61 PRO C C 13 176.807 0.2 . 1 . . . . 103 PRO C . 18843 1 646 . 1 1 61 61 PRO CA C 13 65.830 0.2 . 1 . . . . 103 PRO CA . 18843 1 647 . 1 1 61 61 PRO CB C 13 31.562 0.2 . 1 . . . . 103 PRO CB . 18843 1 648 . 1 1 61 61 PRO CG C 13 28.260 0.2 . 1 . . . . 103 PRO CG . 18843 1 649 . 1 1 61 61 PRO CD C 13 50.468 0.2 . 1 . . . . 103 PRO CD . 18843 1 650 . 1 1 62 62 SER H H 1 7.726 0.02 . 1 . . . . 104 SER H . 18843 1 651 . 1 1 62 62 SER HA H 1 4.265 0.02 . 1 . . . . 104 SER HA . 18843 1 652 . 1 1 62 62 SER HB2 H 1 4.077 0.02 . 2 . . . . 104 SER HB2 . 18843 1 653 . 1 1 62 62 SER HB3 H 1 3.932 0.02 . 2 . . . . 104 SER HB3 . 18843 1 654 . 1 1 62 62 SER C C 13 175.479 0.2 . 1 . . . . 104 SER C . 18843 1 655 . 1 1 62 62 SER CA C 13 58.731 0.2 . 1 . . . . 104 SER CA . 18843 1 656 . 1 1 62 62 SER CB C 13 63.844 0.2 . 1 . . . . 104 SER CB . 18843 1 657 . 1 1 62 62 SER N N 15 109.872 0.2 . 1 . . . . 104 SER N . 18843 1 658 . 1 1 63 63 GLY H H 1 8.573 0.02 . 1 . . . . 105 GLY H . 18843 1 659 . 1 1 63 63 GLY HA2 H 1 3.546 0.02 . 2 . . . . 105 GLY HA2 . 18843 1 660 . 1 1 63 63 GLY HA3 H 1 4.433 0.02 . 2 . . . . 105 GLY HA3 . 18843 1 661 . 1 1 63 63 GLY C C 13 173.874 0.2 . 1 . . . . 105 GLY C . 18843 1 662 . 1 1 63 63 GLY CA C 13 44.696 0.2 . 1 . . . . 105 GLY CA . 18843 1 663 . 1 1 63 63 GLY N N 15 111.394 0.2 . 1 . . . . 105 GLY N . 18843 1 664 . 1 1 64 64 GLN H H 1 7.515 0.02 . 1 . . . . 106 GLN H . 18843 1 665 . 1 1 64 64 GLN HA H 1 4.188 0.02 . 1 . . . . 106 GLN HA . 18843 1 666 . 1 1 64 64 GLN HB2 H 1 1.851 0.02 . 2 . . . . 106 GLN HB2 . 18843 1 667 . 1 1 64 64 GLN HB3 H 1 1.733 0.02 . 2 . . . . 106 GLN HB3 . 18843 1 668 . 1 1 64 64 GLN HG2 H 1 2.296 0.02 . 2 . . . . 106 GLN HG2 . 18843 1 669 . 1 1 64 64 GLN HG3 H 1 2.216 0.02 . 2 . . . . 106 GLN HG3 . 18843 1 670 . 1 1 64 64 GLN HE21 H 1 6.871 0.02 . 1 . . . . 106 GLN HE21 . 18843 1 671 . 1 1 64 64 GLN HE22 H 1 7.544 0.02 . 1 . . . . 106 GLN HE22 . 18843 1 672 . 1 1 64 64 GLN C C 13 173.849 0.2 . 1 . . . . 106 GLN C . 18843 1 673 . 1 1 64 64 GLN CA C 13 55.813 0.2 . 1 . . . . 106 GLN CA . 18843 1 674 . 1 1 64 64 GLN CB C 13 29.899 0.2 . 1 . . . . 106 GLN CB . 18843 1 675 . 1 1 64 64 GLN CG C 13 33.854 0.2 . 1 . . . . 106 GLN CG . 18843 1 676 . 1 1 64 64 GLN N N 15 120.013 0.2 . 1 . . . . 106 GLN N . 18843 1 677 . 1 1 64 64 GLN NE2 N 15 112.781 0.2 . 1 . . . . 106 GLN NE2 . 18843 1 678 . 1 1 65 65 ILE H H 1 8.151 0.02 . 1 . . . . 107 ILE H . 18843 1 679 . 1 1 65 65 ILE HA H 1 5.151 0.02 . 1 . . . . 107 ILE HA . 18843 1 680 . 1 1 65 65 ILE HB H 1 1.672 0.02 . 1 . . . . 107 ILE HB . 18843 1 681 . 1 1 65 65 ILE HG12 H 1 1.503 0.02 . 2 . . . . 107 ILE HG12 . 18843 1 682 . 1 1 65 65 ILE HG13 H 1 1.182 0.02 . 2 . . . . 107 ILE HG13 . 18843 1 683 . 1 1 65 65 ILE HG21 H 1 0.716 0.02 . 1 . . . . 107 ILE HG21 . 18843 1 684 . 1 1 65 65 ILE HG22 H 1 0.716 0.02 . 1 . . . . 107 ILE HG22 . 18843 1 685 . 1 1 65 65 ILE HG23 H 1 0.716 0.02 . 1 . . . . 107 ILE HG23 . 18843 1 686 . 1 1 65 65 ILE HD11 H 1 0.786 0.02 . 1 . . . . 107 ILE HD11 . 18843 1 687 . 1 1 65 65 ILE HD12 H 1 0.786 0.02 . 1 . . . . 107 ILE HD12 . 18843 1 688 . 1 1 65 65 ILE HD13 H 1 0.786 0.02 . 1 . . . . 107 ILE HD13 . 18843 1 689 . 1 1 65 65 ILE C C 13 176.323 0.2 . 1 . . . . 107 ILE C . 18843 1 690 . 1 1 65 65 ILE CA C 13 59.813 0.2 . 1 . . . . 107 ILE CA . 18843 1 691 . 1 1 65 65 ILE CB C 13 38.283 0.2 . 1 . . . . 107 ILE CB . 18843 1 692 . 1 1 65 65 ILE CG1 C 13 27.488 0.2 . 1 . . . . 107 ILE CG1 . 18843 1 693 . 1 1 65 65 ILE CG2 C 13 17.566 0.2 . 1 . . . . 107 ILE CG2 . 18843 1 694 . 1 1 65 65 ILE CD1 C 13 13.244 0.2 . 1 . . . . 107 ILE CD1 . 18843 1 695 . 1 1 65 65 ILE N N 15 123.929 0.2 . 1 . . . . 107 ILE N . 18843 1 696 . 1 1 66 66 ALA H H 1 9.162 0.02 . 1 . . . . 108 ALA H . 18843 1 697 . 1 1 66 66 ALA HA H 1 4.813 0.02 . 1 . . . . 108 ALA HA . 18843 1 698 . 1 1 66 66 ALA HB1 H 1 1.449 0.02 . 1 . . . . 108 ALA HB1 . 18843 1 699 . 1 1 66 66 ALA HB2 H 1 1.449 0.02 . 1 . . . . 108 ALA HB2 . 18843 1 700 . 1 1 66 66 ALA HB3 H 1 1.449 0.02 . 1 . . . . 108 ALA HB3 . 18843 1 701 . 1 1 66 66 ALA C C 13 174.981 0.2 . 1 . . . . 108 ALA C . 18843 1 702 . 1 1 66 66 ALA CA C 13 50.973 0.2 . 1 . . . . 108 ALA CA . 18843 1 703 . 1 1 66 66 ALA CB C 13 21.462 0.2 . 1 . . . . 108 ALA CB . 18843 1 704 . 1 1 66 66 ALA N N 15 131.263 0.2 . 1 . . . . 108 ALA N . 18843 1 705 . 1 1 67 67 PRO HA H 1 4.554 0.02 . 1 . . . . 109 PRO HA . 18843 1 706 . 1 1 67 67 PRO HB2 H 1 1.884 0.02 . 2 . . . . 109 PRO HB2 . 18843 1 707 . 1 1 67 67 PRO HB3 H 1 2.458 0.02 . 2 . . . . 109 PRO HB3 . 18843 1 708 . 1 1 67 67 PRO HG2 H 1 2.066 0.02 . 2 . . . . 109 PRO HG2 . 18843 1 709 . 1 1 67 67 PRO HG3 H 1 2.033 0.02 . 2 . . . . 109 PRO HG3 . 18843 1 710 . 1 1 67 67 PRO HD2 H 1 3.733 0.02 . 2 . . . . 109 PRO HD2 . 18843 1 711 . 1 1 67 67 PRO HD3 H 1 3.750 0.02 . 2 . . . . 109 PRO HD3 . 18843 1 712 . 1 1 67 67 PRO C C 13 174.811 0.2 . 1 . . . . 109 PRO C . 18843 1 713 . 1 1 67 67 PRO CA C 13 64.763 0.2 . 1 . . . . 109 PRO CA . 18843 1 714 . 1 1 67 67 PRO CB C 13 32.254 0.2 . 1 . . . . 109 PRO CB . 18843 1 715 . 1 1 67 67 PRO CG C 13 27.845 0.2 . 1 . . . . 109 PRO CG . 18843 1 716 . 1 1 67 67 PRO CD C 13 50.761 0.2 . 1 . . . . 109 PRO CD . 18843 1 717 . 1 1 68 68 SER H H 1 7.070 0.02 . 1 . . . . 110 SER H . 18843 1 718 . 1 1 68 68 SER HA H 1 4.529 0.02 . 1 . . . . 110 SER HA . 18843 1 719 . 1 1 68 68 SER HB2 H 1 3.864 0.02 . 2 . . . . 110 SER HB2 . 18843 1 720 . 1 1 68 68 SER HB3 H 1 3.596 0.02 . 2 . . . . 110 SER HB3 . 18843 1 721 . 1 1 68 68 SER C C 13 173.015 0.2 . 1 . . . . 110 SER C . 18843 1 722 . 1 1 68 68 SER CA C 13 56.684 0.2 . 1 . . . . 110 SER CA . 18843 1 723 . 1 1 68 68 SER CB C 13 65.019 0.2 . 1 . . . . 110 SER CB . 18843 1 724 . 1 1 68 68 SER N N 15 105.745 0.2 . 1 . . . . 110 SER N . 18843 1 725 . 1 1 69 69 CYS H H 1 8.548 0.02 . 1 . . . . 111 CYS H . 18843 1 726 . 1 1 69 69 CYS HA H 1 5.045 0.02 . 1 . . . . 111 CYS HA . 18843 1 727 . 1 1 69 69 CYS HB2 H 1 3.350 0.02 . 2 . . . . 111 CYS HB2 . 18843 1 728 . 1 1 69 69 CYS HB3 H 1 2.897 0.02 . 2 . . . . 111 CYS HB3 . 18843 1 729 . 1 1 69 69 CYS C C 13 175.321 0.2 . 1 . . . . 111 CYS C . 18843 1 730 . 1 1 69 69 CYS CA C 13 53.079 0.2 . 1 . . . . 111 CYS CA . 18843 1 731 . 1 1 69 69 CYS CB C 13 39.588 0.2 . 1 . . . . 111 CYS CB . 18843 1 732 . 1 1 69 69 CYS N N 15 117.533 0.2 . 1 . . . . 111 CYS N . 18843 1 733 . 1 1 70 70 GLY H H 1 8.334 0.02 . 1 . . . . 112 GLY H . 18843 1 734 . 1 1 70 70 GLY HA2 H 1 3.992 0.02 . 2 . . . . 112 GLY HA2 . 18843 1 735 . 1 1 70 70 GLY HA3 H 1 3.990 0.02 . 2 . . . . 112 GLY HA3 . 18843 1 736 . 1 1 70 70 GLY C C 13 173.743 0.2 . 1 . . . . 112 GLY C . 18843 1 737 . 1 1 70 70 GLY CA C 13 45.046 0.2 . 1 . . . . 112 GLY CA . 18843 1 738 . 1 1 70 70 GLY N N 15 110.404 0.2 . 1 . . . . 112 GLY N . 18843 1 739 . 1 1 71 71 SER H H 1 8.331 0.02 . 1 . . . . 113 SER H . 18843 1 740 . 1 1 71 71 SER HA H 1 4.481 0.02 . 1 . . . . 113 SER HA . 18843 1 741 . 1 1 71 71 SER HB2 H 1 3.796 0.02 . 2 . . . . 113 SER HB2 . 18843 1 742 . 1 1 71 71 SER HB3 H 1 3.798 0.02 . 2 . . . . 113 SER HB3 . 18843 1 743 . 1 1 71 71 SER C C 13 174.680 0.2 . 1 . . . . 113 SER C . 18843 1 744 . 1 1 71 71 SER CA C 13 58.059 0.2 . 1 . . . . 113 SER CA . 18843 1 745 . 1 1 71 71 SER CB C 13 64.261 0.2 . 1 . . . . 113 SER CB . 18843 1 746 . 1 1 71 71 SER N N 15 115.670 0.2 . 1 . . . . 113 SER N . 18843 1 747 . 1 1 72 72 ARG H H 1 8.647 0.02 . 1 . . . . 114 ARG H . 18843 1 748 . 1 1 72 72 ARG HA H 1 4.315 0.02 . 1 . . . . 114 ARG HA . 18843 1 749 . 1 1 72 72 ARG HB2 H 1 1.747 0.02 . 2 . . . . 114 ARG HB2 . 18843 1 750 . 1 1 72 72 ARG HB3 H 1 1.848 0.02 . 2 . . . . 114 ARG HB3 . 18843 1 751 . 1 1 72 72 ARG HG2 H 1 1.629 0.02 . 2 . . . . 114 ARG HG2 . 18843 1 752 . 1 1 72 72 ARG HG3 H 1 1.626 0.02 . 2 . . . . 114 ARG HG3 . 18843 1 753 . 1 1 72 72 ARG HD2 H 1 3.169 0.02 . 2 . . . . 114 ARG HD2 . 18843 1 754 . 1 1 72 72 ARG HD3 H 1 3.171 0.02 . 2 . . . . 114 ARG HD3 . 18843 1 755 . 1 1 72 72 ARG C C 13 176.435 0.2 . 1 . . . . 114 ARG C . 18843 1 756 . 1 1 72 72 ARG CA C 13 56.391 0.2 . 1 . . . . 114 ARG CA . 18843 1 757 . 1 1 72 72 ARG CB C 13 30.823 0.2 . 1 . . . . 114 ARG CB . 18843 1 758 . 1 1 72 72 ARG CG C 13 27.115 0.2 . 1 . . . . 114 ARG CG . 18843 1 759 . 1 1 72 72 ARG CD C 13 43.409 0.2 . 1 . . . . 114 ARG CD . 18843 1 760 . 1 1 72 72 ARG N N 15 123.686 0.2 . 1 . . . . 114 ARG N . 18843 1 761 . 1 1 73 73 SER H H 1 8.564 0.02 . 1 . . . . 115 SER H . 18843 1 762 . 1 1 73 73 SER HA H 1 4.430 0.02 . 1 . . . . 115 SER HA . 18843 1 763 . 1 1 73 73 SER HB2 H 1 3.823 0.02 . 2 . . . . 115 SER HB2 . 18843 1 764 . 1 1 73 73 SER HB3 H 1 3.819 0.02 . 2 . . . . 115 SER HB3 . 18843 1 765 . 1 1 73 73 SER C C 13 174.464 0.2 . 1 . . . . 115 SER C . 18843 1 766 . 1 1 73 73 SER CA C 13 58.423 0.2 . 1 . . . . 115 SER CA . 18843 1 767 . 1 1 73 73 SER CB C 13 63.809 0.2 . 1 . . . . 115 SER CB . 18843 1 768 . 1 1 73 73 SER N N 15 118.009 0.2 . 1 . . . . 115 SER N . 18843 1 769 . 1 1 74 74 ILE H H 1 8.173 0.02 . 1 . . . . 116 ILE H . 18843 1 770 . 1 1 74 74 ILE HA H 1 4.151 0.02 . 1 . . . . 116 ILE HA . 18843 1 771 . 1 1 74 74 ILE HB H 1 1.817 0.02 . 1 . . . . 116 ILE HB . 18843 1 772 . 1 1 74 74 ILE HG12 H 1 1.398 0.02 . 2 . . . . 116 ILE HG12 . 18843 1 773 . 1 1 74 74 ILE HG13 H 1 1.142 0.02 . 2 . . . . 116 ILE HG13 . 18843 1 774 . 1 1 74 74 ILE HG21 H 1 0.814 0.02 . 1 . . . . 116 ILE HG21 . 18843 1 775 . 1 1 74 74 ILE HG22 H 1 0.814 0.02 . 1 . . . . 116 ILE HG22 . 18843 1 776 . 1 1 74 74 ILE HG23 H 1 0.814 0.02 . 1 . . . . 116 ILE HG23 . 18843 1 777 . 1 1 74 74 ILE HD11 H 1 0.820 0.02 . 1 . . . . 116 ILE HD11 . 18843 1 778 . 1 1 74 74 ILE HD12 H 1 0.820 0.02 . 1 . . . . 116 ILE HD12 . 18843 1 779 . 1 1 74 74 ILE HD13 H 1 0.820 0.02 . 1 . . . . 116 ILE HD13 . 18843 1 780 . 1 1 74 74 ILE C C 13 176.016 0.2 . 1 . . . . 116 ILE C . 18843 1 781 . 1 1 74 74 ILE CA C 13 61.172 0.2 . 1 . . . . 116 ILE CA . 18843 1 782 . 1 1 74 74 ILE CB C 13 38.765 0.2 . 1 . . . . 116 ILE CB . 18843 1 783 . 1 1 74 74 ILE CG1 C 13 27.244 0.2 . 1 . . . . 116 ILE CG1 . 18843 1 784 . 1 1 74 74 ILE CG2 C 13 17.495 0.2 . 1 . . . . 116 ILE CG2 . 18843 1 785 . 1 1 74 74 ILE CD1 C 13 12.977 0.2 . 1 . . . . 116 ILE CD1 . 18843 1 786 . 1 1 74 74 ILE N N 15 122.733 0.2 . 1 . . . . 116 ILE N . 18843 1 787 . 1 1 75 75 GLN H H 1 8.374 0.02 . 1 . . . . 117 GLN H . 18843 1 788 . 1 1 75 75 GLN HA H 1 4.315 0.02 . 1 . . . . 117 GLN HA . 18843 1 789 . 1 1 75 75 GLN HB2 H 1 2.036 0.02 . 2 . . . . 117 GLN HB2 . 18843 1 790 . 1 1 75 75 GLN HB3 H 1 1.919 0.02 . 2 . . . . 117 GLN HB3 . 18843 1 791 . 1 1 75 75 GLN HG2 H 1 2.321 0.02 . 2 . . . . 117 GLN HG2 . 18843 1 792 . 1 1 75 75 GLN HG3 H 1 2.322 0.02 . 2 . . . . 117 GLN HG3 . 18843 1 793 . 1 1 75 75 GLN HE21 H 1 6.857 0.02 . 1 . . . . 117 GLN HE21 . 18843 1 794 . 1 1 75 75 GLN HE22 H 1 7.478 0.02 . 1 . . . . 117 GLN HE22 . 18843 1 795 . 1 1 75 75 GLN C C 13 175.594 0.2 . 1 . . . . 117 GLN C . 18843 1 796 . 1 1 75 75 GLN CA C 13 55.634 0.2 . 1 . . . . 117 GLN CA . 18843 1 797 . 1 1 75 75 GLN CB C 13 29.622 0.2 . 1 . . . . 117 GLN CB . 18843 1 798 . 1 1 75 75 GLN CG C 13 33.832 0.2 . 1 . . . . 117 GLN CG . 18843 1 799 . 1 1 75 75 GLN N N 15 124.233 0.2 . 1 . . . . 117 GLN N . 18843 1 800 . 1 1 75 75 GLN NE2 N 15 112.632 0.2 . 1 . . . . 117 GLN NE2 . 18843 1 801 . 1 1 76 76 HIS H H 1 8.570 0.02 . 1 . . . . 118 HIS H . 18843 1 802 . 1 1 76 76 HIS HA H 1 4.695 0.02 . 1 . . . . 118 HIS HA . 18843 1 803 . 1 1 76 76 HIS HB2 H 1 3.124 0.02 . 2 . . . . 118 HIS HB2 . 18843 1 804 . 1 1 76 76 HIS HB3 H 1 3.221 0.02 . 2 . . . . 118 HIS HB3 . 18843 1 805 . 1 1 76 76 HIS C C 13 173.837 0.2 . 1 . . . . 118 HIS C . 18843 1 806 . 1 1 76 76 HIS CA C 13 55.570 0.2 . 1 . . . . 118 HIS CA . 18843 1 807 . 1 1 76 76 HIS CB C 13 29.433 0.2 . 1 . . . . 118 HIS CB . 18843 1 808 . 1 1 76 76 HIS N N 15 120.668 0.2 . 1 . . . . 118 HIS N . 18843 1 809 . 1 1 77 77 CYS HA H 1 4.690 0.02 . 1 . . . . 119 CYS HA . 18843 1 810 . 1 1 77 77 CYS HB2 H 1 3.077 0.02 . 2 . . . . 119 CYS HB2 . 18843 1 811 . 1 1 77 77 CYS HB3 H 1 3.328 0.02 . 2 . . . . 119 CYS HB3 . 18843 1 812 . 1 1 77 77 CYS C C 13 174.524 0.2 . 1 . . . . 119 CYS C . 18843 1 813 . 1 1 77 77 CYS CA C 13 56.452 0.2 . 1 . . . . 119 CYS CA . 18843 1 814 . 1 1 77 77 CYS CB C 13 41.693 0.2 . 1 . . . . 119 CYS CB . 18843 1 815 . 1 1 78 78 ASN H H 1 9.145 0.02 . 1 . . . . 120 ASN H . 18843 1 816 . 1 1 78 78 ASN HA H 1 4.799 0.02 . 1 . . . . 120 ASN HA . 18843 1 817 . 1 1 78 78 ASN HB2 H 1 2.842 0.02 . 2 . . . . 120 ASN HB2 . 18843 1 818 . 1 1 78 78 ASN HB3 H 1 2.677 0.02 . 2 . . . . 120 ASN HB3 . 18843 1 819 . 1 1 78 78 ASN HD21 H 1 6.838 0.02 . 1 . . . . 120 ASN HD21 . 18843 1 820 . 1 1 78 78 ASN HD22 H 1 7.679 0.02 . 1 . . . . 120 ASN HD22 . 18843 1 821 . 1 1 78 78 ASN C C 13 174.551 0.2 . 1 . . . . 120 ASN C . 18843 1 822 . 1 1 78 78 ASN CA C 13 53.461 0.2 . 1 . . . . 120 ASN CA . 18843 1 823 . 1 1 78 78 ASN CB C 13 39.226 0.2 . 1 . . . . 120 ASN CB . 18843 1 824 . 1 1 78 78 ASN N N 15 122.555 0.2 . 1 . . . . 120 ASN N . 18843 1 825 . 1 1 78 78 ASN ND2 N 15 113.042 0.2 . 1 . . . . 120 ASN ND2 . 18843 1 826 . 1 1 79 79 ILE H H 1 7.226 0.02 . 1 . . . . 121 ILE H . 18843 1 827 . 1 1 79 79 ILE HA H 1 4.169 0.02 . 1 . . . . 121 ILE HA . 18843 1 828 . 1 1 79 79 ILE HB H 1 1.592 0.02 . 1 . . . . 121 ILE HB . 18843 1 829 . 1 1 79 79 ILE HG12 H 1 1.003 0.02 . 2 . . . . 121 ILE HG12 . 18843 1 830 . 1 1 79 79 ILE HG13 H 1 1.382 0.02 . 2 . . . . 121 ILE HG13 . 18843 1 831 . 1 1 79 79 ILE HG21 H 1 0.716 0.02 . 1 . . . . 121 ILE HG21 . 18843 1 832 . 1 1 79 79 ILE HG22 H 1 0.716 0.02 . 1 . . . . 121 ILE HG22 . 18843 1 833 . 1 1 79 79 ILE HG23 H 1 0.716 0.02 . 1 . . . . 121 ILE HG23 . 18843 1 834 . 1 1 79 79 ILE HD11 H 1 0.628 0.02 . 1 . . . . 121 ILE HD11 . 18843 1 835 . 1 1 79 79 ILE HD12 H 1 0.628 0.02 . 1 . . . . 121 ILE HD12 . 18843 1 836 . 1 1 79 79 ILE HD13 H 1 0.628 0.02 . 1 . . . . 121 ILE HD13 . 18843 1 837 . 1 1 79 79 ILE C C 13 173.907 0.2 . 1 . . . . 121 ILE C . 18843 1 838 . 1 1 79 79 ILE CA C 13 60.789 0.2 . 1 . . . . 121 ILE CA . 18843 1 839 . 1 1 79 79 ILE CB C 13 40.296 0.2 . 1 . . . . 121 ILE CB . 18843 1 840 . 1 1 79 79 ILE CG1 C 13 27.729 0.2 . 1 . . . . 121 ILE CG1 . 18843 1 841 . 1 1 79 79 ILE CG2 C 13 17.079 0.2 . 1 . . . . 121 ILE CG2 . 18843 1 842 . 1 1 79 79 ILE CD1 C 13 13.743 0.2 . 1 . . . . 121 ILE CD1 . 18843 1 843 . 1 1 79 79 ILE N N 15 118.549 0.2 . 1 . . . . 121 ILE N . 18843 1 844 . 1 1 80 80 ARG H H 1 8.406 0.02 . 1 . . . . 122 ARG H . 18843 1 845 . 1 1 80 80 ARG HA H 1 4.287 0.02 . 1 . . . . 122 ARG HA . 18843 1 846 . 1 1 80 80 ARG HB2 H 1 1.660 0.02 . 2 . . . . 122 ARG HB2 . 18843 1 847 . 1 1 80 80 ARG HB3 H 1 1.663 0.02 . 2 . . . . 122 ARG HB3 . 18843 1 848 . 1 1 80 80 ARG HG2 H 1 1.437 0.02 . 2 . . . . 122 ARG HG2 . 18843 1 849 . 1 1 80 80 ARG HG3 H 1 1.571 0.02 . 2 . . . . 122 ARG HG3 . 18843 1 850 . 1 1 80 80 ARG HD2 H 1 3.101 0.02 . 2 . . . . 122 ARG HD2 . 18843 1 851 . 1 1 80 80 ARG HD3 H 1 3.097 0.02 . 2 . . . . 122 ARG HD3 . 18843 1 852 . 1 1 80 80 ARG C C 13 175.721 0.2 . 1 . . . . 122 ARG C . 18843 1 853 . 1 1 80 80 ARG CA C 13 55.602 0.2 . 1 . . . . 122 ARG CA . 18843 1 854 . 1 1 80 80 ARG CB C 13 30.297 0.2 . 1 . . . . 122 ARG CB . 18843 1 855 . 1 1 80 80 ARG CG C 13 27.139 0.2 . 1 . . . . 122 ARG CG . 18843 1 856 . 1 1 80 80 ARG CD C 13 43.335 0.2 . 1 . . . . 122 ARG CD . 18843 1 857 . 1 1 80 80 ARG N N 15 124.714 0.2 . 1 . . . . 122 ARG N . 18843 1 858 . 1 1 81 81 CYS H H 1 8.566 0.02 . 1 . . . . 123 CYS H . 18843 1 859 . 1 1 81 81 CYS HA H 1 4.677 0.02 . 1 . . . . 123 CYS HA . 18843 1 860 . 1 1 81 81 CYS HB2 H 1 2.398 0.02 . 1 . . . . 123 CYS HB2 . 18843 1 861 . 1 1 81 81 CYS HB3 H 1 2.398 0.02 . 1 . . . . 123 CYS HB3 . 18843 1 862 . 1 1 81 81 CYS C C 13 173.659 0.2 . 1 . . . . 123 CYS C . 18843 1 863 . 1 1 81 81 CYS CA C 13 53.180 0.2 . 1 . . . . 123 CYS CA . 18843 1 864 . 1 1 81 81 CYS CB C 13 39.566 0.2 . 1 . . . . 123 CYS CB . 18843 1 865 . 1 1 81 81 CYS N N 15 123.960 0.2 . 1 . . . . 123 CYS N . 18843 1 866 . 1 1 82 82 MET H H 1 8.337 0.02 . 1 . . . . 124 MET H . 18843 1 867 . 1 1 82 82 MET HA H 1 4.387 0.02 . 1 . . . . 124 MET HA . 18843 1 868 . 1 1 82 82 MET HB2 H 1 1.980 0.02 . 2 . . . . 124 MET HB2 . 18843 1 869 . 1 1 82 82 MET HB3 H 1 1.795 0.02 . 2 . . . . 124 MET HB3 . 18843 1 870 . 1 1 82 82 MET HG2 H 1 2.504 0.02 . 2 . . . . 124 MET HG2 . 18843 1 871 . 1 1 82 82 MET HG3 H 1 2.485 0.02 . 2 . . . . 124 MET HG3 . 18843 1 872 . 1 1 82 82 MET HE1 H 1 1.985 0.02 . 1 . . . . 124 MET HE1 . 18843 1 873 . 1 1 82 82 MET HE2 H 1 1.985 0.02 . 1 . . . . 124 MET HE2 . 18843 1 874 . 1 1 82 82 MET HE3 H 1 1.985 0.02 . 1 . . . . 124 MET HE3 . 18843 1 875 . 1 1 82 82 MET C C 13 176.368 0.2 . 1 . . . . 124 MET C . 18843 1 876 . 1 1 82 82 MET CA C 13 55.145 0.2 . 1 . . . . 124 MET CA . 18843 1 877 . 1 1 82 82 MET CB C 13 34.893 0.2 . 1 . . . . 124 MET CB . 18843 1 878 . 1 1 82 82 MET CG C 13 32.643 0.2 . 1 . . . . 124 MET CG . 18843 1 879 . 1 1 82 82 MET CE C 13 17.205 0.2 . 1 . . . . 124 MET CE . 18843 1 880 . 1 1 82 82 MET N N 15 121.231 0.2 . 1 . . . . 124 MET N . 18843 1 881 . 1 1 83 83 ASN H H 1 9.054 0.02 . 1 . . . . 125 ASN H . 18843 1 882 . 1 1 83 83 ASN HA H 1 4.083 0.02 . 1 . . . . 125 ASN HA . 18843 1 883 . 1 1 83 83 ASN HB2 H 1 1.438 0.02 . 2 . . . . 125 ASN HB2 . 18843 1 884 . 1 1 83 83 ASN HB3 H 1 1.907 0.02 . 2 . . . . 125 ASN HB3 . 18843 1 885 . 1 1 83 83 ASN HD21 H 1 7.273 0.02 . 1 . . . . 125 ASN HD21 . 18843 1 886 . 1 1 83 83 ASN HD22 H 1 7.733 0.02 . 1 . . . . 125 ASN HD22 . 18843 1 887 . 1 1 83 83 ASN C C 13 176.545 0.2 . 1 . . . . 125 ASN C . 18843 1 888 . 1 1 83 83 ASN CA C 13 54.840 0.2 . 1 . . . . 125 ASN CA . 18843 1 889 . 1 1 83 83 ASN CB C 13 36.576 0.2 . 1 . . . . 125 ASN CB . 18843 1 890 . 1 1 83 83 ASN N N 15 114.547 0.2 . 1 . . . . 125 ASN N . 18843 1 891 . 1 1 83 83 ASN ND2 N 15 118.351 0.2 . 1 . . . . 125 ASN ND2 . 18843 1 892 . 1 1 84 84 GLY H H 1 8.748 0.02 . 1 . . . . 126 GLY H . 18843 1 893 . 1 1 84 84 GLY HA2 H 1 3.684 0.02 . 2 . . . . 126 GLY HA2 . 18843 1 894 . 1 1 84 84 GLY HA3 H 1 4.001 0.02 . 2 . . . . 126 GLY HA3 . 18843 1 895 . 1 1 84 84 GLY C C 13 175.464 0.2 . 1 . . . . 126 GLY C . 18843 1 896 . 1 1 84 84 GLY CA C 13 45.663 0.2 . 1 . . . . 126 GLY CA . 18843 1 897 . 1 1 84 84 GLY N N 15 107.037 0.2 . 1 . . . . 126 GLY N . 18843 1 898 . 1 1 85 85 GLY H H 1 7.365 0.02 . 1 . . . . 127 GLY H . 18843 1 899 . 1 1 85 85 GLY HA2 H 1 3.441 0.02 . 2 . . . . 127 GLY HA2 . 18843 1 900 . 1 1 85 85 GLY HA3 H 1 4.385 0.02 . 2 . . . . 127 GLY HA3 . 18843 1 901 . 1 1 85 85 GLY C C 13 171.704 0.2 . 1 . . . . 127 GLY C . 18843 1 902 . 1 1 85 85 GLY CA C 13 45.428 0.2 . 1 . . . . 127 GLY CA . 18843 1 903 . 1 1 85 85 GLY N N 15 107.042 0.2 . 1 . . . . 127 GLY N . 18843 1 904 . 1 1 86 86 SER H H 1 8.397 0.02 . 1 . . . . 128 SER H . 18843 1 905 . 1 1 86 86 SER HA H 1 4.703 0.02 . 1 . . . . 128 SER HA . 18843 1 906 . 1 1 86 86 SER HB2 H 1 3.793 0.02 . 2 . . . . 128 SER HB2 . 18843 1 907 . 1 1 86 86 SER HB3 H 1 3.774 0.02 . 2 . . . . 128 SER HB3 . 18843 1 908 . 1 1 86 86 SER C C 13 172.425 0.2 . 1 . . . . 128 SER C . 18843 1 909 . 1 1 86 86 SER CA C 13 57.070 0.2 . 1 . . . . 128 SER CA . 18843 1 910 . 1 1 86 86 SER CB C 13 65.383 0.2 . 1 . . . . 128 SER CB . 18843 1 911 . 1 1 86 86 SER N N 15 114.614 0.2 . 1 . . . . 128 SER N . 18843 1 912 . 1 1 87 87 CYS H H 1 8.878 0.02 . 1 . . . . 129 CYS H . 18843 1 913 . 1 1 87 87 CYS HA H 1 4.866 0.02 . 1 . . . . 129 CYS HA . 18843 1 914 . 1 1 87 87 CYS HB2 H 1 3.162 0.02 . 2 . . . . 129 CYS HB2 . 18843 1 915 . 1 1 87 87 CYS HB3 H 1 3.097 0.02 . 2 . . . . 129 CYS HB3 . 18843 1 916 . 1 1 87 87 CYS C C 13 174.435 0.2 . 1 . . . . 129 CYS C . 18843 1 917 . 1 1 87 87 CYS CA C 13 56.255 0.2 . 1 . . . . 129 CYS CA . 18843 1 918 . 1 1 87 87 CYS CB C 13 41.952 0.2 . 1 . . . . 129 CYS CB . 18843 1 919 . 1 1 87 87 CYS N N 15 123.767 0.2 . 1 . . . . 129 CYS N . 18843 1 920 . 1 1 88 88 SER H H 1 8.742 0.02 . 1 . . . . 130 SER H . 18843 1 921 . 1 1 88 88 SER HA H 1 4.486 0.02 . 1 . . . . 130 SER HA . 18843 1 922 . 1 1 88 88 SER HB2 H 1 3.522 0.02 . 2 . . . . 130 SER HB2 . 18843 1 923 . 1 1 88 88 SER HB3 H 1 3.535 0.02 . 2 . . . . 130 SER HB3 . 18843 1 924 . 1 1 88 88 SER C C 13 173.939 0.2 . 1 . . . . 130 SER C . 18843 1 925 . 1 1 88 88 SER CA C 13 57.944 0.2 . 1 . . . . 130 SER CA . 18843 1 926 . 1 1 88 88 SER CB C 13 64.129 0.2 . 1 . . . . 130 SER CB . 18843 1 927 . 1 1 88 88 SER N N 15 122.794 0.2 . 1 . . . . 130 SER N . 18843 1 928 . 1 1 89 89 ASP H H 1 9.071 0.02 . 1 . . . . 131 ASP H . 18843 1 929 . 1 1 89 89 ASP HA H 1 4.216 0.02 . 1 . . . . 131 ASP HA . 18843 1 930 . 1 1 89 89 ASP HB2 H 1 2.673 0.02 . 2 . . . . 131 ASP HB2 . 18843 1 931 . 1 1 89 89 ASP HB3 H 1 2.910 0.02 . 2 . . . . 131 ASP HB3 . 18843 1 932 . 1 1 89 89 ASP C C 13 174.730 0.2 . 1 . . . . 131 ASP C . 18843 1 933 . 1 1 89 89 ASP CA C 13 56.662 0.2 . 1 . . . . 131 ASP CA . 18843 1 934 . 1 1 89 89 ASP CB C 13 39.644 0.2 . 1 . . . . 131 ASP CB . 18843 1 935 . 1 1 89 89 ASP N N 15 126.026 0.2 . 1 . . . . 131 ASP N . 18843 1 936 . 1 1 90 90 ASP H H 1 8.151 0.02 . 1 . . . . 132 ASP H . 18843 1 937 . 1 1 90 90 ASP HA H 1 4.359 0.02 . 1 . . . . 132 ASP HA . 18843 1 938 . 1 1 90 90 ASP HB2 H 1 2.794 0.02 . 2 . . . . 132 ASP HB2 . 18843 1 939 . 1 1 90 90 ASP HB3 H 1 2.796 0.02 . 2 . . . . 132 ASP HB3 . 18843 1 940 . 1 1 90 90 ASP C C 13 174.251 0.2 . 1 . . . . 132 ASP C . 18843 1 941 . 1 1 90 90 ASP CA C 13 55.091 0.2 . 1 . . . . 132 ASP CA . 18843 1 942 . 1 1 90 90 ASP CB C 13 40.130 0.2 . 1 . . . . 132 ASP CB . 18843 1 943 . 1 1 90 90 ASP N N 15 115.253 0.2 . 1 . . . . 132 ASP N . 18843 1 944 . 1 1 91 91 HIS H H 1 7.842 0.02 . 1 . . . . 133 HIS H . 18843 1 945 . 1 1 91 91 HIS HA H 1 4.866 0.02 . 1 . . . . 133 HIS HA . 18843 1 946 . 1 1 91 91 HIS HB2 H 1 3.236 0.02 . 2 . . . . 133 HIS HB2 . 18843 1 947 . 1 1 91 91 HIS HB3 H 1 3.238 0.02 . 2 . . . . 133 HIS HB3 . 18843 1 948 . 1 1 91 91 HIS HD2 H 1 7.216 0.02 . 1 . . . . 133 HIS HD2 . 18843 1 949 . 1 1 91 91 HIS C C 13 172.607 0.2 . 1 . . . . 133 HIS C . 18843 1 950 . 1 1 91 91 HIS CA C 13 54.517 0.2 . 1 . . . . 133 HIS CA . 18843 1 951 . 1 1 91 91 HIS CB C 13 31.022 0.2 . 1 . . . . 133 HIS CB . 18843 1 952 . 1 1 91 91 HIS CD2 C 13 120.295 0.2 . 1 . . . . 133 HIS CD2 . 18843 1 953 . 1 1 91 91 HIS N N 15 114.612 0.2 . 1 . . . . 133 HIS N . 18843 1 954 . 1 1 92 92 CYS H H 1 9.052 0.02 . 1 . . . . 134 CYS H . 18843 1 955 . 1 1 92 92 CYS HA H 1 4.899 0.02 . 1 . . . . 134 CYS HA . 18843 1 956 . 1 1 92 92 CYS HB2 H 1 2.668 0.02 . 2 . . . . 134 CYS HB2 . 18843 1 957 . 1 1 92 92 CYS HB3 H 1 2.766 0.02 . 2 . . . . 134 CYS HB3 . 18843 1 958 . 1 1 92 92 CYS C C 13 174.085 0.2 . 1 . . . . 134 CYS C . 18843 1 959 . 1 1 92 92 CYS CA C 13 55.033 0.2 . 1 . . . . 134 CYS CA . 18843 1 960 . 1 1 92 92 CYS CB C 13 41.933 0.2 . 1 . . . . 134 CYS CB . 18843 1 961 . 1 1 92 92 CYS N N 15 118.197 0.2 . 1 . . . . 134 CYS N . 18843 1 962 . 1 1 93 93 LEU H H 1 9.269 0.02 . 1 . . . . 135 LEU H . 18843 1 963 . 1 1 93 93 LEU HA H 1 4.627 0.02 . 1 . . . . 135 LEU HA . 18843 1 964 . 1 1 93 93 LEU HB2 H 1 1.648 0.02 . 2 . . . . 135 LEU HB2 . 18843 1 965 . 1 1 93 93 LEU HB3 H 1 1.653 0.02 . 2 . . . . 135 LEU HB3 . 18843 1 966 . 1 1 93 93 LEU HG H 1 1.543 0.02 . 1 . . . . 135 LEU HG . 18843 1 967 . 1 1 93 93 LEU HD11 H 1 0.891 0.02 . 2 . . . . 135 LEU HD11 . 18843 1 968 . 1 1 93 93 LEU HD12 H 1 0.891 0.02 . 2 . . . . 135 LEU HD12 . 18843 1 969 . 1 1 93 93 LEU HD13 H 1 0.891 0.02 . 2 . . . . 135 LEU HD13 . 18843 1 970 . 1 1 93 93 LEU HD21 H 1 0.883 0.02 . 2 . . . . 135 LEU HD21 . 18843 1 971 . 1 1 93 93 LEU HD22 H 1 0.883 0.02 . 2 . . . . 135 LEU HD22 . 18843 1 972 . 1 1 93 93 LEU HD23 H 1 0.883 0.02 . 2 . . . . 135 LEU HD23 . 18843 1 973 . 1 1 93 93 LEU C C 13 176.765 0.2 . 1 . . . . 135 LEU C . 18843 1 974 . 1 1 93 93 LEU CA C 13 54.068 0.2 . 1 . . . . 135 LEU CA . 18843 1 975 . 1 1 93 93 LEU CB C 13 41.197 0.2 . 1 . . . . 135 LEU CB . 18843 1 976 . 1 1 93 93 LEU CG C 13 27.219 0.2 . 1 . . . . 135 LEU CG . 18843 1 977 . 1 1 93 93 LEU CD1 C 13 24.867 0.2 . 2 . . . . 135 LEU CD1 . 18843 1 978 . 1 1 93 93 LEU CD2 C 13 24.337 0.2 . 2 . . . . 135 LEU CD2 . 18843 1 979 . 1 1 93 93 LEU N N 15 126.894 0.2 . 1 . . . . 135 LEU N . 18843 1 980 . 1 1 94 94 CYS H H 1 8.836 0.02 . 1 . . . . 136 CYS H . 18843 1 981 . 1 1 94 94 CYS HA H 1 4.794 0.02 . 1 . . . . 136 CYS HA . 18843 1 982 . 1 1 94 94 CYS HB2 H 1 3.346 0.02 . 2 . . . . 136 CYS HB2 . 18843 1 983 . 1 1 94 94 CYS HB3 H 1 2.672 0.02 . 2 . . . . 136 CYS HB3 . 18843 1 984 . 1 1 94 94 CYS C C 13 176.721 0.2 . 1 . . . . 136 CYS C . 18843 1 985 . 1 1 94 94 CYS CA C 13 53.161 0.2 . 1 . . . . 136 CYS CA . 18843 1 986 . 1 1 94 94 CYS CB C 13 37.407 0.2 . 1 . . . . 136 CYS CB . 18843 1 987 . 1 1 94 94 CYS N N 15 123.327 0.2 . 1 . . . . 136 CYS N . 18843 1 988 . 1 1 95 95 GLN H H 1 8.632 0.02 . 1 . . . . 137 GLN H . 18843 1 989 . 1 1 95 95 GLN HA H 1 4.327 0.02 . 1 . . . . 137 GLN HA . 18843 1 990 . 1 1 95 95 GLN HB2 H 1 2.360 0.02 . 2 . . . . 137 GLN HB2 . 18843 1 991 . 1 1 95 95 GLN HB3 H 1 1.862 0.02 . 2 . . . . 137 GLN HB3 . 18843 1 992 . 1 1 95 95 GLN HG2 H 1 2.318 0.02 . 2 . . . . 137 GLN HG2 . 18843 1 993 . 1 1 95 95 GLN HG3 H 1 2.533 0.02 . 2 . . . . 137 GLN HG3 . 18843 1 994 . 1 1 95 95 GLN HE21 H 1 6.927 0.02 . 1 . . . . 137 GLN HE21 . 18843 1 995 . 1 1 95 95 GLN HE22 H 1 7.377 0.02 . 1 . . . . 137 GLN HE22 . 18843 1 996 . 1 1 95 95 GLN C C 13 175.140 0.2 . 1 . . . . 137 GLN C . 18843 1 997 . 1 1 95 95 GLN CA C 13 55.707 0.2 . 1 . . . . 137 GLN CA . 18843 1 998 . 1 1 95 95 GLN CB C 13 29.394 0.2 . 1 . . . . 137 GLN CB . 18843 1 999 . 1 1 95 95 GLN CG C 13 33.785 0.2 . 1 . . . . 137 GLN CG . 18843 1 1000 . 1 1 95 95 GLN N N 15 121.025 0.2 . 1 . . . . 137 GLN N . 18843 1 1001 . 1 1 95 95 GLN NE2 N 15 112.556 0.2 . 1 . . . . 137 GLN NE2 . 18843 1 1002 . 1 1 96 96 LYS H H 1 8.387 0.02 . 1 . . . . 138 LYS H . 18843 1 1003 . 1 1 96 96 LYS HA H 1 4.038 0.02 . 1 . . . . 138 LYS HA . 18843 1 1004 . 1 1 96 96 LYS HB2 H 1 1.816 0.02 . 2 . . . . 138 LYS HB2 . 18843 1 1005 . 1 1 96 96 LYS HB3 H 1 1.769 0.02 . 2 . . . . 138 LYS HB3 . 18843 1 1006 . 1 1 96 96 LYS HG2 H 1 1.479 0.02 . 2 . . . . 138 LYS HG2 . 18843 1 1007 . 1 1 96 96 LYS HG3 H 1 1.402 0.02 . 2 . . . . 138 LYS HG3 . 18843 1 1008 . 1 1 96 96 LYS HD2 H 1 1.687 0.02 . 2 . . . . 138 LYS HD2 . 18843 1 1009 . 1 1 96 96 LYS HD3 H 1 1.688 0.02 . 2 . . . . 138 LYS HD3 . 18843 1 1010 . 1 1 96 96 LYS HE2 H 1 2.988 0.02 . 2 . . . . 138 LYS HE2 . 18843 1 1011 . 1 1 96 96 LYS HE3 H 1 2.990 0.02 . 2 . . . . 138 LYS HE3 . 18843 1 1012 . 1 1 96 96 LYS C C 13 177.174 0.2 . 1 . . . . 138 LYS C . 18843 1 1013 . 1 1 96 96 LYS CA C 13 58.464 0.2 . 1 . . . . 138 LYS CA . 18843 1 1014 . 1 1 96 96 LYS CB C 13 32.237 0.2 . 1 . . . . 138 LYS CB . 18843 1 1015 . 1 1 96 96 LYS CG C 13 24.642 0.2 . 1 . . . . 138 LYS CG . 18843 1 1016 . 1 1 96 96 LYS CD C 13 29.289 0.2 . 1 . . . . 138 LYS CD . 18843 1 1017 . 1 1 96 96 LYS CE C 13 42.243 0.2 . 1 . . . . 138 LYS CE . 18843 1 1018 . 1 1 96 96 LYS N N 15 121.204 0.2 . 1 . . . . 138 LYS N . 18843 1 1019 . 1 1 97 97 GLY H H 1 8.693 0.02 . 1 . . . . 139 GLY H . 18843 1 1020 . 1 1 97 97 GLY HA2 H 1 3.461 0.02 . 2 . . . . 139 GLY HA2 . 18843 1 1021 . 1 1 97 97 GLY HA3 H 1 4.061 0.02 . 2 . . . . 139 GLY HA3 . 18843 1 1022 . 1 1 97 97 GLY C C 13 171.672 0.2 . 1 . . . . 139 GLY C . 18843 1 1023 . 1 1 97 97 GLY CA C 13 44.615 0.2 . 1 . . . . 139 GLY CA . 18843 1 1024 . 1 1 97 97 GLY N N 15 113.126 0.2 . 1 . . . . 139 GLY N . 18843 1 1025 . 1 1 98 98 TYR H H 1 7.750 0.02 . 1 . . . . 140 TYR H . 18843 1 1026 . 1 1 98 98 TYR HA H 1 5.241 0.02 . 1 . . . . 140 TYR HA . 18843 1 1027 . 1 1 98 98 TYR HB2 H 1 2.771 0.02 . 2 . . . . 140 TYR HB2 . 18843 1 1028 . 1 1 98 98 TYR HB3 H 1 2.774 0.02 . 2 . . . . 140 TYR HB3 . 18843 1 1029 . 1 1 98 98 TYR HD1 H 1 6.683 0.02 . 3 . . . . 140 TYR HD1 . 18843 1 1030 . 1 1 98 98 TYR HD2 H 1 6.683 0.02 . 3 . . . . 140 TYR HD2 . 18843 1 1031 . 1 1 98 98 TYR HE1 H 1 6.663 0.02 . 3 . . . . 140 TYR HE1 . 18843 1 1032 . 1 1 98 98 TYR HE2 H 1 6.663 0.02 . 3 . . . . 140 TYR HE2 . 18843 1 1033 . 1 1 98 98 TYR C C 13 174.996 0.2 . 1 . . . . 140 TYR C . 18843 1 1034 . 1 1 98 98 TYR CA C 13 57.361 0.2 . 1 . . . . 140 TYR CA . 18843 1 1035 . 1 1 98 98 TYR CB C 13 41.844 0.2 . 1 . . . . 140 TYR CB . 18843 1 1036 . 1 1 98 98 TYR CD1 C 13 133.697 0.2 . 3 . . . . 140 TYR CD1 . 18843 1 1037 . 1 1 98 98 TYR CD2 C 13 133.697 0.2 . 3 . . . . 140 TYR CD2 . 18843 1 1038 . 1 1 98 98 TYR CE1 C 13 117.649 0.2 . 3 . . . . 140 TYR CE1 . 18843 1 1039 . 1 1 98 98 TYR CE2 C 13 117.649 0.2 . 3 . . . . 140 TYR CE2 . 18843 1 1040 . 1 1 98 98 TYR N N 15 116.400 0.2 . 1 . . . . 140 TYR N . 18843 1 1041 . 1 1 99 99 ILE H H 1 9.151 0.02 . 1 . . . . 141 ILE H . 18843 1 1042 . 1 1 99 99 ILE HA H 1 4.754 0.02 . 1 . . . . 141 ILE HA . 18843 1 1043 . 1 1 99 99 ILE HB H 1 1.947 0.02 . 1 . . . . 141 ILE HB . 18843 1 1044 . 1 1 99 99 ILE HG12 H 1 1.244 0.02 . 2 . . . . 141 ILE HG12 . 18843 1 1045 . 1 1 99 99 ILE HG13 H 1 0.975 0.02 . 2 . . . . 141 ILE HG13 . 18843 1 1046 . 1 1 99 99 ILE HG21 H 1 0.778 0.02 . 1 . . . . 141 ILE HG21 . 18843 1 1047 . 1 1 99 99 ILE HG22 H 1 0.778 0.02 . 1 . . . . 141 ILE HG22 . 18843 1 1048 . 1 1 99 99 ILE HG23 H 1 0.778 0.02 . 1 . . . . 141 ILE HG23 . 18843 1 1049 . 1 1 99 99 ILE HD11 H 1 0.767 0.02 . 1 . . . . 141 ILE HD11 . 18843 1 1050 . 1 1 99 99 ILE HD12 H 1 0.767 0.02 . 1 . . . . 141 ILE HD12 . 18843 1 1051 . 1 1 99 99 ILE HD13 H 1 0.767 0.02 . 1 . . . . 141 ILE HD13 . 18843 1 1052 . 1 1 99 99 ILE C C 13 175.049 0.2 . 1 . . . . 141 ILE C . 18843 1 1053 . 1 1 99 99 ILE CA C 13 60.111 0.2 . 1 . . . . 141 ILE CA . 18843 1 1054 . 1 1 99 99 ILE CB C 13 42.895 0.2 . 1 . . . . 141 ILE CB . 18843 1 1055 . 1 1 99 99 ILE CG1 C 13 25.623 0.2 . 1 . . . . 141 ILE CG1 . 18843 1 1056 . 1 1 99 99 ILE CG2 C 13 17.456 0.2 . 1 . . . . 141 ILE CG2 . 18843 1 1057 . 1 1 99 99 ILE CD1 C 13 13.946 0.2 . 1 . . . . 141 ILE CD1 . 18843 1 1058 . 1 1 99 99 ILE N N 15 116.444 0.2 . 1 . . . . 141 ILE N . 18843 1 1059 . 1 1 100 100 GLY H H 1 7.877 0.02 . 1 . . . . 142 GLY H . 18843 1 1060 . 1 1 100 100 GLY HA2 H 1 3.866 0.02 . 2 . . . . 142 GLY HA2 . 18843 1 1061 . 1 1 100 100 GLY HA3 H 1 4.930 0.02 . 2 . . . . 142 GLY HA3 . 18843 1 1062 . 1 1 100 100 GLY C C 13 177.370 0.2 . 1 . . . . 142 GLY C . 18843 1 1063 . 1 1 100 100 GLY CA C 13 43.607 0.2 . 1 . . . . 142 GLY CA . 18843 1 1064 . 1 1 100 100 GLY N N 15 106.147 0.2 . 1 . . . . 142 GLY N . 18843 1 1065 . 1 1 101 101 THR H H 1 8.723 0.02 . 1 . . . . 143 THR H . 18843 1 1066 . 1 1 101 101 THR HA H 1 3.811 0.02 . 1 . . . . 143 THR HA . 18843 1 1067 . 1 1 101 101 THR HB H 1 3.811 0.02 . 1 . . . . 143 THR HB . 18843 1 1068 . 1 1 101 101 THR HG21 H 1 0.967 0.02 . 1 . . . . 143 THR HG21 . 18843 1 1069 . 1 1 101 101 THR HG22 H 1 0.967 0.02 . 1 . . . . 143 THR HG22 . 18843 1 1070 . 1 1 101 101 THR HG23 H 1 0.967 0.02 . 1 . . . . 143 THR HG23 . 18843 1 1071 . 1 1 101 101 THR C C 13 174.808 0.2 . 1 . . . . 143 THR C . 18843 1 1072 . 1 1 101 101 THR CA C 13 65.959 0.2 . 1 . . . . 143 THR CA . 18843 1 1073 . 1 1 101 101 THR CB C 13 69.012 0.2 . 1 . . . . 143 THR CB . 18843 1 1074 . 1 1 101 101 THR CG2 C 13 21.861 0.2 . 1 . . . . 143 THR CG2 . 18843 1 1075 . 1 1 101 101 THR N N 15 118.423 0.2 . 1 . . . . 143 THR N . 18843 1 1076 . 1 1 102 102 HIS H H 1 7.981 0.02 . 1 . . . . 144 HIS H . 18843 1 1077 . 1 1 102 102 HIS HA H 1 5.310 0.02 . 1 . . . . 144 HIS HA . 18843 1 1078 . 1 1 102 102 HIS HB2 H 1 3.552 0.02 . 2 . . . . 144 HIS HB2 . 18843 1 1079 . 1 1 102 102 HIS HB3 H 1 2.898 0.02 . 2 . . . . 144 HIS HB3 . 18843 1 1080 . 1 1 102 102 HIS HD2 H 1 7.252 0.02 . 1 . . . . 144 HIS HD2 . 18843 1 1081 . 1 1 102 102 HIS C C 13 174.987 0.2 . 1 . . . . 144 HIS C . 18843 1 1082 . 1 1 102 102 HIS CA C 13 54.126 0.2 . 1 . . . . 144 HIS CA . 18843 1 1083 . 1 1 102 102 HIS CB C 13 28.865 0.2 . 1 . . . . 144 HIS CB . 18843 1 1084 . 1 1 102 102 HIS CD2 C 13 120.069 0.2 . 1 . . . . 144 HIS CD2 . 18843 1 1085 . 1 1 103 103 CYS H H 1 7.886 0.02 . 1 . . . . 145 CYS H . 18843 1 1086 . 1 1 103 103 CYS HA H 1 4.054 0.02 . 1 . . . . 145 CYS HA . 18843 1 1087 . 1 1 103 103 CYS HB2 H 1 3.126 0.02 . 2 . . . . 145 CYS HB2 . 18843 1 1088 . 1 1 103 103 CYS HB3 H 1 3.432 0.02 . 2 . . . . 145 CYS HB3 . 18843 1 1089 . 1 1 103 103 CYS C C 13 174.984 0.2 . 1 . . . . 145 CYS C . 18843 1 1090 . 1 1 103 103 CYS CA C 13 54.921 0.2 . 1 . . . . 145 CYS CA . 18843 1 1091 . 1 1 103 103 CYS CB C 13 36.362 0.2 . 1 . . . . 145 CYS CB . 18843 1 1092 . 1 1 103 103 CYS N N 15 113.106 0.2 . 1 . . . . 145 CYS N . 18843 1 1093 . 1 1 104 104 GLY H H 1 8.640 0.02 . 1 . . . . 146 GLY H . 18843 1 1094 . 1 1 104 104 GLY HA2 H 1 3.765 0.02 . 2 . . . . 146 GLY HA2 . 18843 1 1095 . 1 1 104 104 GLY HA3 H 1 3.890 0.02 . 2 . . . . 146 GLY HA3 . 18843 1 1096 . 1 1 104 104 GLY C C 13 174.007 0.2 . 1 . . . . 146 GLY C . 18843 1 1097 . 1 1 104 104 GLY CA C 13 45.981 0.2 . 1 . . . . 146 GLY CA . 18843 1 1098 . 1 1 104 104 GLY N N 15 104.510 0.2 . 1 . . . . 146 GLY N . 18843 1 1099 . 1 1 105 105 GLN H H 1 8.342 0.02 . 1 . . . . 147 GLN H . 18843 1 1100 . 1 1 105 105 GLN HA H 1 5.083 0.02 . 1 . . . . 147 GLN HA . 18843 1 1101 . 1 1 105 105 GLN HB2 H 1 1.919 0.02 . 2 . . . . 147 GLN HB2 . 18843 1 1102 . 1 1 105 105 GLN HB3 H 1 1.991 0.02 . 2 . . . . 147 GLN HB3 . 18843 1 1103 . 1 1 105 105 GLN HG2 H 1 2.252 0.02 . 2 . . . . 147 GLN HG2 . 18843 1 1104 . 1 1 105 105 GLN HG3 H 1 2.248 0.02 . 2 . . . . 147 GLN HG3 . 18843 1 1105 . 1 1 105 105 GLN HE21 H 1 7.291 0.02 . 1 . . . . 147 GLN HE21 . 18843 1 1106 . 1 1 105 105 GLN HE22 H 1 6.684 0.02 . 1 . . . . 147 GLN HE22 . 18843 1 1107 . 1 1 105 105 GLN C C 13 172.571 0.2 . 1 . . . . 147 GLN C . 18843 1 1108 . 1 1 105 105 GLN CA C 13 52.158 0.2 . 1 . . . . 147 GLN CA . 18843 1 1109 . 1 1 105 105 GLN CB C 13 30.588 0.2 . 1 . . . . 147 GLN CB . 18843 1 1110 . 1 1 105 105 GLN CG C 13 33.471 0.2 . 1 . . . . 147 GLN CG . 18843 1 1111 . 1 1 105 105 GLN N N 15 121.563 0.2 . 1 . . . . 147 GLN N . 18843 1 1112 . 1 1 105 105 GLN NE2 N 15 111.190 0.2 . 1 . . . . 147 GLN NE2 . 18843 1 1113 . 1 1 106 106 PRO HA H 1 4.699 0.02 . 1 . . . . 148 PRO HA . 18843 1 1114 . 1 1 106 106 PRO HB2 H 1 1.288 0.02 . 2 . . . . 148 PRO HB2 . 18843 1 1115 . 1 1 106 106 PRO HB3 H 1 1.531 0.02 . 2 . . . . 148 PRO HB3 . 18843 1 1116 . 1 1 106 106 PRO HG2 H 1 1.637 0.02 . 2 . . . . 148 PRO HG2 . 18843 1 1117 . 1 1 106 106 PRO HG3 H 1 1.632 0.02 . 2 . . . . 148 PRO HG3 . 18843 1 1118 . 1 1 106 106 PRO HD2 H 1 3.902 0.02 . 2 . . . . 148 PRO HD2 . 18843 1 1119 . 1 1 106 106 PRO HD3 H 1 3.905 0.02 . 2 . . . . 148 PRO HD3 . 18843 1 1120 . 1 1 106 106 PRO C C 13 175.813 0.2 . 1 . . . . 148 PRO C . 18843 1 1121 . 1 1 106 106 PRO CA C 13 61.636 0.2 . 1 . . . . 148 PRO CA . 18843 1 1122 . 1 1 106 106 PRO CB C 13 31.454 0.2 . 1 . . . . 148 PRO CB . 18843 1 1123 . 1 1 106 106 PRO CG C 13 27.013 0.2 . 1 . . . . 148 PRO CG . 18843 1 1124 . 1 1 106 106 PRO CD C 13 50.662 0.2 . 1 . . . . 148 PRO CD . 18843 1 1125 . 1 1 107 107 VAL H H 1 8.092 0.02 . 1 . . . . 149 VAL H . 18843 1 1126 . 1 1 107 107 VAL HA H 1 3.936 0.02 . 1 . . . . 149 VAL HA . 18843 1 1127 . 1 1 107 107 VAL HB H 1 1.634 0.02 . 1 . . . . 149 VAL HB . 18843 1 1128 . 1 1 107 107 VAL HG11 H 1 0.737 0.02 . 2 . . . . 149 VAL HG11 . 18843 1 1129 . 1 1 107 107 VAL HG12 H 1 0.737 0.02 . 2 . . . . 149 VAL HG12 . 18843 1 1130 . 1 1 107 107 VAL HG13 H 1 0.737 0.02 . 2 . . . . 149 VAL HG13 . 18843 1 1131 . 1 1 107 107 VAL HG21 H 1 0.734 0.02 . 2 . . . . 149 VAL HG21 . 18843 1 1132 . 1 1 107 107 VAL HG22 H 1 0.734 0.02 . 2 . . . . 149 VAL HG22 . 18843 1 1133 . 1 1 107 107 VAL HG23 H 1 0.734 0.02 . 2 . . . . 149 VAL HG23 . 18843 1 1134 . 1 1 107 107 VAL C C 13 176.072 0.2 . 1 . . . . 149 VAL C . 18843 1 1135 . 1 1 107 107 VAL CA C 13 62.233 0.2 . 1 . . . . 149 VAL CA . 18843 1 1136 . 1 1 107 107 VAL CB C 13 33.453 0.2 . 1 . . . . 149 VAL CB . 18843 1 1137 . 1 1 107 107 VAL CG1 C 13 20.926 0.2 . 2 . . . . 149 VAL CG1 . 18843 1 1138 . 1 1 107 107 VAL CG2 C 13 20.897 0.2 . 2 . . . . 149 VAL CG2 . 18843 1 1139 . 1 1 107 107 VAL N N 15 120.189 0.2 . 1 . . . . 149 VAL N . 18843 1 1140 . 1 1 108 108 CYS H H 1 8.831 0.02 . 1 . . . . 150 CYS H . 18843 1 1141 . 1 1 108 108 CYS HA H 1 5.089 0.02 . 1 . . . . 150 CYS HA . 18843 1 1142 . 1 1 108 108 CYS HB2 H 1 3.013 0.02 . 2 . . . . 150 CYS HB2 . 18843 1 1143 . 1 1 108 108 CYS HB3 H 1 2.752 0.02 . 2 . . . . 150 CYS HB3 . 18843 1 1144 . 1 1 108 108 CYS C C 13 175.242 0.2 . 1 . . . . 150 CYS C . 18843 1 1145 . 1 1 108 108 CYS CA C 13 58.959 0.2 . 1 . . . . 150 CYS CA . 18843 1 1146 . 1 1 108 108 CYS CB C 13 37.184 0.2 . 1 . . . . 150 CYS CB . 18843 1 1147 . 1 1 108 108 CYS N N 15 128.487 0.2 . 1 . . . . 150 CYS N . 18843 1 1148 . 1 1 109 109 GLU H H 1 8.973 0.02 . 1 . . . . 151 GLU H . 18843 1 1149 . 1 1 109 109 GLU HA H 1 3.821 0.02 . 1 . . . . 151 GLU HA . 18843 1 1150 . 1 1 109 109 GLU HB2 H 1 2.000 0.02 . 2 . . . . 151 GLU HB2 . 18843 1 1151 . 1 1 109 109 GLU HB3 H 1 2.001 0.02 . 2 . . . . 151 GLU HB3 . 18843 1 1152 . 1 1 109 109 GLU HG2 H 1 2.217 0.02 . 2 . . . . 151 GLU HG2 . 18843 1 1153 . 1 1 109 109 GLU HG3 H 1 2.361 0.02 . 2 . . . . 151 GLU HG3 . 18843 1 1154 . 1 1 109 109 GLU C C 13 177.646 0.2 . 1 . . . . 151 GLU C . 18843 1 1155 . 1 1 109 109 GLU CA C 13 59.849 0.2 . 1 . . . . 151 GLU CA . 18843 1 1156 . 1 1 109 109 GLU CB C 13 29.807 0.2 . 1 . . . . 151 GLU CB . 18843 1 1157 . 1 1 109 109 GLU CG C 13 36.958 0.2 . 1 . . . . 151 GLU CG . 18843 1 1158 . 1 1 109 109 GLU N N 15 125.375 0.2 . 1 . . . . 151 GLU N . 18843 1 1159 . 1 1 110 110 SER H H 1 8.655 0.02 . 1 . . . . 152 SER H . 18843 1 1160 . 1 1 110 110 SER HA H 1 4.482 0.02 . 1 . . . . 152 SER HA . 18843 1 1161 . 1 1 110 110 SER HB2 H 1 3.881 0.02 . 2 . . . . 152 SER HB2 . 18843 1 1162 . 1 1 110 110 SER HB3 H 1 3.893 0.02 . 2 . . . . 152 SER HB3 . 18843 1 1163 . 1 1 110 110 SER C C 13 174.596 0.2 . 1 . . . . 152 SER C . 18843 1 1164 . 1 1 110 110 SER CA C 13 58.451 0.2 . 1 . . . . 152 SER CA . 18843 1 1165 . 1 1 110 110 SER CB C 13 63.392 0.2 . 1 . . . . 152 SER CB . 18843 1 1166 . 1 1 110 110 SER N N 15 113.753 0.2 . 1 . . . . 152 SER N . 18843 1 1167 . 1 1 111 111 GLY H H 1 7.675 0.02 . 1 . . . . 153 GLY H . 18843 1 1168 . 1 1 111 111 GLY HA2 H 1 3.705 0.02 . 2 . . . . 153 GLY HA2 . 18843 1 1169 . 1 1 111 111 GLY HA3 H 1 4.037 0.02 . 2 . . . . 153 GLY HA3 . 18843 1 1170 . 1 1 111 111 GLY C C 13 172.337 0.2 . 1 . . . . 153 GLY C . 18843 1 1171 . 1 1 111 111 GLY CA C 13 44.638 0.2 . 1 . . . . 153 GLY CA . 18843 1 1172 . 1 1 111 111 GLY N N 15 108.607 0.2 . 1 . . . . 153 GLY N . 18843 1 1173 . 1 1 112 112 CYS H H 1 8.157 0.02 . 1 . . . . 154 CYS H . 18843 1 1174 . 1 1 112 112 CYS HA H 1 4.731 0.02 . 1 . . . . 154 CYS HA . 18843 1 1175 . 1 1 112 112 CYS HB2 H 1 2.466 0.02 . 2 . . . . 154 CYS HB2 . 18843 1 1176 . 1 1 112 112 CYS HB3 H 1 2.465 0.02 . 2 . . . . 154 CYS HB3 . 18843 1 1177 . 1 1 112 112 CYS C C 13 174.207 0.2 . 1 . . . . 154 CYS C . 18843 1 1178 . 1 1 112 112 CYS CA C 13 53.150 0.2 . 1 . . . . 154 CYS CA . 18843 1 1179 . 1 1 112 112 CYS CB C 13 38.943 0.2 . 1 . . . . 154 CYS CB . 18843 1 1180 . 1 1 112 112 CYS N N 15 116.290 0.2 . 1 . . . . 154 CYS N . 18843 1 1181 . 1 1 113 113 LEU H H 1 8.379 0.02 . 1 . . . . 155 LEU H . 18843 1 1182 . 1 1 113 113 LEU HA H 1 4.288 0.02 . 1 . . . . 155 LEU HA . 18843 1 1183 . 1 1 113 113 LEU HB2 H 1 1.782 0.02 . 2 . . . . 155 LEU HB2 . 18843 1 1184 . 1 1 113 113 LEU HB3 H 1 1.369 0.02 . 2 . . . . 155 LEU HB3 . 18843 1 1185 . 1 1 113 113 LEU HG H 1 1.645 0.02 . 1 . . . . 155 LEU HG . 18843 1 1186 . 1 1 113 113 LEU HD11 H 1 0.803 0.02 . 2 . . . . 155 LEU HD11 . 18843 1 1187 . 1 1 113 113 LEU HD12 H 1 0.803 0.02 . 2 . . . . 155 LEU HD12 . 18843 1 1188 . 1 1 113 113 LEU HD13 H 1 0.803 0.02 . 2 . . . . 155 LEU HD13 . 18843 1 1189 . 1 1 113 113 LEU HD21 H 1 0.793 0.02 . 2 . . . . 155 LEU HD21 . 18843 1 1190 . 1 1 113 113 LEU HD22 H 1 0.793 0.02 . 2 . . . . 155 LEU HD22 . 18843 1 1191 . 1 1 113 113 LEU HD23 H 1 0.793 0.02 . 2 . . . . 155 LEU HD23 . 18843 1 1192 . 1 1 113 113 LEU C C 13 177.659 0.2 . 1 . . . . 155 LEU C . 18843 1 1193 . 1 1 113 113 LEU CA C 13 54.928 0.2 . 1 . . . . 155 LEU CA . 18843 1 1194 . 1 1 113 113 LEU CB C 13 43.080 0.2 . 1 . . . . 155 LEU CB . 18843 1 1195 . 1 1 113 113 LEU CG C 13 27.282 0.2 . 1 . . . . 155 LEU CG . 18843 1 1196 . 1 1 113 113 LEU CD1 C 13 25.171 0.2 . 2 . . . . 155 LEU CD1 . 18843 1 1197 . 1 1 113 113 LEU CD2 C 13 22.365 0.2 . 2 . . . . 155 LEU CD2 . 18843 1 1198 . 1 1 113 113 LEU N N 15 123.235 0.2 . 1 . . . . 155 LEU N . 18843 1 1199 . 1 1 114 114 ASN H H 1 8.833 0.02 . 1 . . . . 156 ASN H . 18843 1 1200 . 1 1 114 114 ASN HA H 1 4.090 0.02 . 1 . . . . 156 ASN HA . 18843 1 1201 . 1 1 114 114 ASN HB2 H 1 2.158 0.02 . 2 . . . . 156 ASN HB2 . 18843 1 1202 . 1 1 114 114 ASN HB3 H 1 2.170 0.02 . 2 . . . . 156 ASN HB3 . 18843 1 1203 . 1 1 114 114 ASN HD21 H 1 7.027 0.02 . 1 . . . . 156 ASN HD21 . 18843 1 1204 . 1 1 114 114 ASN HD22 H 1 7.972 0.02 . 1 . . . . 156 ASN HD22 . 18843 1 1205 . 1 1 114 114 ASN C C 13 175.418 0.2 . 1 . . . . 156 ASN C . 18843 1 1206 . 1 1 114 114 ASN CA C 13 58.242 0.2 . 1 . . . . 156 ASN CA . 18843 1 1207 . 1 1 114 114 ASN CB C 13 37.050 0.2 . 1 . . . . 156 ASN CB . 18843 1 1208 . 1 1 114 114 ASN N N 15 114.253 0.2 . 1 . . . . 156 ASN N . 18843 1 1209 . 1 1 114 114 ASN ND2 N 15 118.415 0.2 . 1 . . . . 156 ASN ND2 . 18843 1 1210 . 1 1 115 115 GLY H H 1 8.488 0.02 . 1 . . . . 157 GLY H . 18843 1 1211 . 1 1 115 115 GLY HA2 H 1 3.633 0.02 . 2 . . . . 157 GLY HA2 . 18843 1 1212 . 1 1 115 115 GLY HA3 H 1 4.066 0.02 . 2 . . . . 157 GLY HA3 . 18843 1 1213 . 1 1 115 115 GLY C C 13 175.414 0.2 . 1 . . . . 157 GLY C . 18843 1 1214 . 1 1 115 115 GLY CA C 13 45.360 0.2 . 1 . . . . 157 GLY CA . 18843 1 1215 . 1 1 115 115 GLY N N 15 105.345 0.2 . 1 . . . . 157 GLY N . 18843 1 1216 . 1 1 116 116 GLY H H 1 7.630 0.02 . 1 . . . . 158 GLY H . 18843 1 1217 . 1 1 116 116 GLY HA2 H 1 4.303 0.02 . 2 . . . . 158 GLY HA2 . 18843 1 1218 . 1 1 116 116 GLY HA3 H 1 3.661 0.02 . 2 . . . . 158 GLY HA3 . 18843 1 1219 . 1 1 116 116 GLY C C 13 171.614 0.2 . 1 . . . . 158 GLY C . 18843 1 1220 . 1 1 116 116 GLY CA C 13 45.331 0.2 . 1 . . . . 158 GLY CA . 18843 1 1221 . 1 1 116 116 GLY N N 15 107.304 0.2 . 1 . . . . 158 GLY N . 18843 1 1222 . 1 1 117 117 ARG H H 1 8.252 0.02 . 1 . . . . 159 ARG H . 18843 1 1223 . 1 1 117 117 ARG HA H 1 4.628 0.02 . 1 . . . . 159 ARG HA . 18843 1 1224 . 1 1 117 117 ARG HB2 H 1 1.692 0.02 . 2 . . . . 159 ARG HB2 . 18843 1 1225 . 1 1 117 117 ARG HB3 H 1 1.689 0.02 . 2 . . . . 159 ARG HB3 . 18843 1 1226 . 1 1 117 117 ARG HG2 H 1 1.535 0.02 . 2 . . . . 159 ARG HG2 . 18843 1 1227 . 1 1 117 117 ARG HG3 H 1 1.539 0.02 . 2 . . . . 159 ARG HG3 . 18843 1 1228 . 1 1 117 117 ARG HD2 H 1 3.167 0.02 . 2 . . . . 159 ARG HD2 . 18843 1 1229 . 1 1 117 117 ARG HD3 H 1 3.162 0.02 . 2 . . . . 159 ARG HD3 . 18843 1 1230 . 1 1 117 117 ARG C C 13 174.571 0.2 . 1 . . . . 159 ARG C . 18843 1 1231 . 1 1 117 117 ARG CA C 13 54.250 0.2 . 1 . . . . 159 ARG CA . 18843 1 1232 . 1 1 117 117 ARG CB C 13 33.632 0.2 . 1 . . . . 159 ARG CB . 18843 1 1233 . 1 1 117 117 ARG CG C 13 27.171 0.2 . 1 . . . . 159 ARG CG . 18843 1 1234 . 1 1 117 117 ARG CD C 13 43.339 0.2 . 1 . . . . 159 ARG CD . 18843 1 1235 . 1 1 117 117 ARG N N 15 117.721 0.2 . 1 . . . . 159 ARG N . 18843 1 1236 . 1 1 118 118 CYS H H 1 9.039 0.02 . 1 . . . . 160 CYS H . 18843 1 1237 . 1 1 118 118 CYS HA H 1 4.864 0.02 . 1 . . . . 160 CYS HA . 18843 1 1238 . 1 1 118 118 CYS HB2 H 1 2.965 0.02 . 2 . . . . 160 CYS HB2 . 18843 1 1239 . 1 1 118 118 CYS HB3 H 1 2.965 0.02 . 2 . . . . 160 CYS HB3 . 18843 1 1240 . 1 1 118 118 CYS C C 13 175.249 0.2 . 1 . . . . 160 CYS C . 18843 1 1241 . 1 1 118 118 CYS CA C 13 56.616 0.2 . 1 . . . . 160 CYS CA . 18843 1 1242 . 1 1 118 118 CYS CB C 13 39.133 0.2 . 1 . . . . 160 CYS CB . 18843 1 1243 . 1 1 118 118 CYS N N 15 125.953 0.2 . 1 . . . . 160 CYS N . 18843 1 1244 . 1 1 119 119 VAL H H 1 8.623 0.02 . 1 . . . . 161 VAL H . 18843 1 1245 . 1 1 119 119 VAL HA H 1 4.524 0.02 . 1 . . . . 161 VAL HA . 18843 1 1246 . 1 1 119 119 VAL HB H 1 2.333 0.02 . 1 . . . . 161 VAL HB . 18843 1 1247 . 1 1 119 119 VAL HG11 H 1 0.926 0.02 . 2 . . . . 161 VAL HG11 . 18843 1 1248 . 1 1 119 119 VAL HG12 H 1 0.926 0.02 . 2 . . . . 161 VAL HG12 . 18843 1 1249 . 1 1 119 119 VAL HG13 H 1 0.926 0.02 . 2 . . . . 161 VAL HG13 . 18843 1 1250 . 1 1 119 119 VAL HG21 H 1 0.780 0.02 . 2 . . . . 161 VAL HG21 . 18843 1 1251 . 1 1 119 119 VAL HG22 H 1 0.780 0.02 . 2 . . . . 161 VAL HG22 . 18843 1 1252 . 1 1 119 119 VAL HG23 H 1 0.780 0.02 . 2 . . . . 161 VAL HG23 . 18843 1 1253 . 1 1 119 119 VAL C C 13 175.069 0.2 . 1 . . . . 161 VAL C . 18843 1 1254 . 1 1 119 119 VAL CA C 13 61.997 0.2 . 1 . . . . 161 VAL CA . 18843 1 1255 . 1 1 119 119 VAL CB C 13 33.467 0.2 . 1 . . . . 161 VAL CB . 18843 1 1256 . 1 1 119 119 VAL CG1 C 13 22.149 0.2 . 2 . . . . 161 VAL CG1 . 18843 1 1257 . 1 1 119 119 VAL CG2 C 13 18.095 0.2 . 2 . . . . 161 VAL CG2 . 18843 1 1258 . 1 1 119 119 VAL N N 15 122.224 0.2 . 1 . . . . 161 VAL N . 18843 1 1259 . 1 1 120 120 ALA H H 1 8.675 0.02 . 1 . . . . 162 ALA H . 18843 1 1260 . 1 1 120 120 ALA HA H 1 4.313 0.02 . 1 . . . . 162 ALA HA . 18843 1 1261 . 1 1 120 120 ALA HB1 H 1 1.406 0.02 . 1 . . . . 162 ALA HB1 . 18843 1 1262 . 1 1 120 120 ALA HB2 H 1 1.406 0.02 . 1 . . . . 162 ALA HB2 . 18843 1 1263 . 1 1 120 120 ALA HB3 H 1 1.406 0.02 . 1 . . . . 162 ALA HB3 . 18843 1 1264 . 1 1 120 120 ALA C C 13 171.981 0.2 . 1 . . . . 162 ALA C . 18843 1 1265 . 1 1 120 120 ALA CA C 13 50.856 0.2 . 1 . . . . 162 ALA CA . 18843 1 1266 . 1 1 120 120 ALA CB C 13 18.487 0.2 . 1 . . . . 162 ALA CB . 18843 1 1267 . 1 1 120 120 ALA N N 15 126.725 0.2 . 1 . . . . 162 ALA N . 18843 1 1268 . 1 1 121 121 PRO HA H 1 4.234 0.02 . 1 . . . . 163 PRO HA . 18843 1 1269 . 1 1 121 121 PRO HB2 H 1 2.151 0.02 . 2 . . . . 163 PRO HB2 . 18843 1 1270 . 1 1 121 121 PRO HB3 H 1 1.819 0.02 . 2 . . . . 163 PRO HB3 . 18843 1 1271 . 1 1 121 121 PRO HG2 H 1 1.234 0.02 . 2 . . . . 163 PRO HG2 . 18843 1 1272 . 1 1 121 121 PRO HG3 H 1 1.912 0.02 . 2 . . . . 163 PRO HG3 . 18843 1 1273 . 1 1 121 121 PRO HD2 H 1 3.489 0.02 . 2 . . . . 163 PRO HD2 . 18843 1 1274 . 1 1 121 121 PRO HD3 H 1 3.448 0.02 . 2 . . . . 163 PRO HD3 . 18843 1 1275 . 1 1 121 121 PRO C C 13 176.919 0.2 . 1 . . . . 163 PRO C . 18843 1 1276 . 1 1 121 121 PRO CA C 13 64.889 0.2 . 1 . . . . 163 PRO CA . 18843 1 1277 . 1 1 121 121 PRO CB C 13 31.160 0.2 . 1 . . . . 163 PRO CB . 18843 1 1278 . 1 1 121 121 PRO CG C 13 28.230 0.2 . 1 . . . . 163 PRO CG . 18843 1 1279 . 1 1 121 121 PRO CD C 13 49.996 0.2 . 1 . . . . 163 PRO CD . 18843 1 1280 . 1 1 122 122 ASN H H 1 9.077 0.02 . 1 . . . . 164 ASN H . 18843 1 1281 . 1 1 122 122 ASN HA H 1 4.464 0.02 . 1 . . . . 164 ASN HA . 18843 1 1282 . 1 1 122 122 ASN HB2 H 1 3.156 0.02 . 2 . . . . 164 ASN HB2 . 18843 1 1283 . 1 1 122 122 ASN HB3 H 1 2.834 0.02 . 2 . . . . 164 ASN HB3 . 18843 1 1284 . 1 1 122 122 ASN HD21 H 1 7.087 0.02 . 1 . . . . 164 ASN HD21 . 18843 1 1285 . 1 1 122 122 ASN HD22 H 1 7.481 0.02 . 1 . . . . 164 ASN HD22 . 18843 1 1286 . 1 1 122 122 ASN C C 13 173.175 0.2 . 1 . . . . 164 ASN C . 18843 1 1287 . 1 1 122 122 ASN CA C 13 54.848 0.2 . 1 . . . . 164 ASN CA . 18843 1 1288 . 1 1 122 122 ASN CB C 13 37.875 0.2 . 1 . . . . 164 ASN CB . 18843 1 1289 . 1 1 122 122 ASN N N 15 121.392 0.2 . 1 . . . . 164 ASN N . 18843 1 1290 . 1 1 122 122 ASN ND2 N 15 113.115 0.2 . 1 . . . . 164 ASN ND2 . 18843 1 1291 . 1 1 123 123 ARG H H 1 8.375 0.02 . 1 . . . . 165 ARG H . 18843 1 1292 . 1 1 123 123 ARG HA H 1 4.597 0.02 . 1 . . . . 165 ARG HA . 18843 1 1293 . 1 1 123 123 ARG HB2 H 1 1.411 0.02 . 2 . . . . 165 ARG HB2 . 18843 1 1294 . 1 1 123 123 ARG HB3 H 1 1.549 0.02 . 2 . . . . 165 ARG HB3 . 18843 1 1295 . 1 1 123 123 ARG HG2 H 1 1.413 0.02 . 2 . . . . 165 ARG HG2 . 18843 1 1296 . 1 1 123 123 ARG HG3 H 1 1.483 0.02 . 2 . . . . 165 ARG HG3 . 18843 1 1297 . 1 1 123 123 ARG HD2 H 1 3.140 0.02 . 2 . . . . 165 ARG HD2 . 18843 1 1298 . 1 1 123 123 ARG HD3 H 1 3.124 0.02 . 2 . . . . 165 ARG HD3 . 18843 1 1299 . 1 1 123 123 ARG C C 13 173.647 0.2 . 1 . . . . 165 ARG C . 18843 1 1300 . 1 1 123 123 ARG CA C 13 55.934 0.2 . 1 . . . . 165 ARG CA . 18843 1 1301 . 1 1 123 123 ARG CB C 13 32.783 0.2 . 1 . . . . 165 ARG CB . 18843 1 1302 . 1 1 123 123 ARG CG C 13 27.058 0.2 . 1 . . . . 165 ARG CG . 18843 1 1303 . 1 1 123 123 ARG CD C 13 43.198 0.2 . 1 . . . . 165 ARG CD . 18843 1 1304 . 1 1 123 123 ARG N N 15 121.333 0.2 . 1 . . . . 165 ARG N . 18843 1 1305 . 1 1 124 124 CYS H H 1 8.775 0.02 . 1 . . . . 166 CYS H . 18843 1 1306 . 1 1 124 124 CYS HA H 1 5.302 0.02 . 1 . . . . 166 CYS HA . 18843 1 1307 . 1 1 124 124 CYS HB2 H 1 2.770 0.02 . 2 . . . . 166 CYS HB2 . 18843 1 1308 . 1 1 124 124 CYS HB3 H 1 2.615 0.02 . 2 . . . . 166 CYS HB3 . 18843 1 1309 . 1 1 124 124 CYS C C 13 174.802 0.2 . 1 . . . . 166 CYS C . 18843 1 1310 . 1 1 124 124 CYS CA C 13 54.141 0.2 . 1 . . . . 166 CYS CA . 18843 1 1311 . 1 1 124 124 CYS CB C 13 43.034 0.2 . 1 . . . . 166 CYS CB . 18843 1 1312 . 1 1 124 124 CYS N N 15 124.138 0.2 . 1 . . . . 166 CYS N . 18843 1 1313 . 1 1 125 125 ALA H H 1 9.575 0.02 . 1 . . . . 167 ALA H . 18843 1 1314 . 1 1 125 125 ALA HA H 1 4.716 0.02 . 1 . . . . 167 ALA HA . 18843 1 1315 . 1 1 125 125 ALA HB1 H 1 1.398 0.02 . 1 . . . . 167 ALA HB1 . 18843 1 1316 . 1 1 125 125 ALA HB2 H 1 1.398 0.02 . 1 . . . . 167 ALA HB2 . 18843 1 1317 . 1 1 125 125 ALA HB3 H 1 1.398 0.02 . 1 . . . . 167 ALA HB3 . 18843 1 1318 . 1 1 125 125 ALA C C 13 177.314 0.2 . 1 . . . . 167 ALA C . 18843 1 1319 . 1 1 125 125 ALA CA C 13 51.429 0.2 . 1 . . . . 167 ALA CA . 18843 1 1320 . 1 1 125 125 ALA CB C 13 20.381 0.2 . 1 . . . . 167 ALA CB . 18843 1 1321 . 1 1 125 125 ALA N N 15 126.443 0.2 . 1 . . . . 167 ALA N . 18843 1 1322 . 1 1 126 126 CYS H H 1 8.770 0.02 . 1 . . . . 168 CYS H . 18843 1 1323 . 1 1 126 126 CYS HA H 1 4.913 0.02 . 1 . . . . 168 CYS HA . 18843 1 1324 . 1 1 126 126 CYS HB2 H 1 3.357 0.02 . 2 . . . . 168 CYS HB2 . 18843 1 1325 . 1 1 126 126 CYS HB3 H 1 2.733 0.02 . 2 . . . . 168 CYS HB3 . 18843 1 1326 . 1 1 126 126 CYS C C 13 175.781 0.2 . 1 . . . . 168 CYS C . 18843 1 1327 . 1 1 126 126 CYS CA C 13 53.461 0.2 . 1 . . . . 168 CYS CA . 18843 1 1328 . 1 1 126 126 CYS CB C 13 39.146 0.2 . 1 . . . . 168 CYS CB . 18843 1 1329 . 1 1 126 126 CYS N N 15 122.002 0.2 . 1 . . . . 168 CYS N . 18843 1 1330 . 1 1 127 127 THR H H 1 8.607 0.02 . 1 . . . . 169 THR H . 18843 1 1331 . 1 1 127 127 THR HA H 1 4.349 0.02 . 1 . . . . 169 THR HA . 18843 1 1332 . 1 1 127 127 THR HB H 1 4.349 0.02 . 1 . . . . 169 THR HB . 18843 1 1333 . 1 1 127 127 THR HG21 H 1 1.177 0.02 . 1 . . . . 169 THR HG21 . 18843 1 1334 . 1 1 127 127 THR HG22 H 1 1.177 0.02 . 1 . . . . 169 THR HG22 . 18843 1 1335 . 1 1 127 127 THR HG23 H 1 1.177 0.02 . 1 . . . . 169 THR HG23 . 18843 1 1336 . 1 1 127 127 THR C C 13 174.059 0.2 . 1 . . . . 169 THR C . 18843 1 1337 . 1 1 127 127 THR CA C 13 62.077 0.2 . 1 . . . . 169 THR CA . 18843 1 1338 . 1 1 127 127 THR CB C 13 69.831 0.2 . 1 . . . . 169 THR CB . 18843 1 1339 . 1 1 127 127 THR CG2 C 13 22.150 0.2 . 1 . . . . 169 THR CG2 . 18843 1 1340 . 1 1 127 127 THR N N 15 115.216 0.2 . 1 . . . . 169 THR N . 18843 1 1341 . 1 1 128 128 TYR H H 1 8.241 0.02 . 1 . . . . 170 TYR H . 18843 1 1342 . 1 1 128 128 TYR HA H 1 4.226 0.02 . 1 . . . . 170 TYR HA . 18843 1 1343 . 1 1 128 128 TYR HB2 H 1 3.096 0.02 . 2 . . . . 170 TYR HB2 . 18843 1 1344 . 1 1 128 128 TYR HB3 H 1 2.940 0.02 . 2 . . . . 170 TYR HB3 . 18843 1 1345 . 1 1 128 128 TYR HD1 H 1 7.104 0.02 . 3 . . . . 170 TYR HD1 . 18843 1 1346 . 1 1 128 128 TYR HD2 H 1 7.104 0.02 . 3 . . . . 170 TYR HD2 . 18843 1 1347 . 1 1 128 128 TYR HE1 H 1 6.820 0.02 . 3 . . . . 170 TYR HE1 . 18843 1 1348 . 1 1 128 128 TYR HE2 H 1 6.820 0.02 . 3 . . . . 170 TYR HE2 . 18843 1 1349 . 1 1 128 128 TYR C C 13 176.466 0.2 . 1 . . . . 170 TYR C . 18843 1 1350 . 1 1 128 128 TYR CA C 13 60.008 0.2 . 1 . . . . 170 TYR CA . 18843 1 1351 . 1 1 128 128 TYR CB C 13 38.112 0.2 . 1 . . . . 170 TYR CB . 18843 1 1352 . 1 1 128 128 TYR CD1 C 13 132.787 0.2 . 3 . . . . 170 TYR CD1 . 18843 1 1353 . 1 1 128 128 TYR CD2 C 13 132.787 0.2 . 3 . . . . 170 TYR CD2 . 18843 1 1354 . 1 1 128 128 TYR N N 15 119.550 0.2 . 1 . . . . 170 TYR N . 18843 1 1355 . 1 1 129 129 GLY H H 1 8.118 0.02 . 1 . . . . 171 GLY H . 18843 1 1356 . 1 1 129 129 GLY HA2 H 1 3.795 0.02 . 2 . . . . 171 GLY HA2 . 18843 1 1357 . 1 1 129 129 GLY HA3 H 1 3.241 0.02 . 2 . . . . 171 GLY HA3 . 18843 1 1358 . 1 1 129 129 GLY C C 13 173.537 0.2 . 1 . . . . 171 GLY C . 18843 1 1359 . 1 1 129 129 GLY CA C 13 44.554 0.2 . 1 . . . . 171 GLY CA . 18843 1 1360 . 1 1 129 129 GLY N N 15 112.596 0.2 . 1 . . . . 171 GLY N . 18843 1 1361 . 1 1 130 130 PHE H H 1 7.647 0.02 . 1 . . . . 172 PHE H . 18843 1 1362 . 1 1 130 130 PHE HA H 1 4.717 0.02 . 1 . . . . 172 PHE HA . 18843 1 1363 . 1 1 130 130 PHE HB2 H 1 2.922 0.02 . 2 . . . . 172 PHE HB2 . 18843 1 1364 . 1 1 130 130 PHE HB3 H 1 2.923 0.02 . 2 . . . . 172 PHE HB3 . 18843 1 1365 . 1 1 130 130 PHE HD1 H 1 7.197 0.02 . 3 . . . . 172 PHE HD1 . 18843 1 1366 . 1 1 130 130 PHE HD2 H 1 7.197 0.02 . 3 . . . . 172 PHE HD2 . 18843 1 1367 . 1 1 130 130 PHE HE1 H 1 7.258 0.02 . 3 . . . . 172 PHE HE1 . 18843 1 1368 . 1 1 130 130 PHE HE2 H 1 7.258 0.02 . 3 . . . . 172 PHE HE2 . 18843 1 1369 . 1 1 130 130 PHE HZ H 1 7.210 0.02 . 1 . . . . 172 PHE HZ . 18843 1 1370 . 1 1 130 130 PHE C C 13 175.612 0.2 . 1 . . . . 172 PHE C . 18843 1 1371 . 1 1 130 130 PHE CA C 13 58.048 0.2 . 1 . . . . 172 PHE CA . 18843 1 1372 . 1 1 130 130 PHE CB C 13 40.221 0.2 . 1 . . . . 172 PHE CB . 18843 1 1373 . 1 1 130 130 PHE CD1 C 13 132.770 0.2 . 3 . . . . 172 PHE CD1 . 18843 1 1374 . 1 1 130 130 PHE CD2 C 13 132.770 0.2 . 3 . . . . 172 PHE CD2 . 18843 1 1375 . 1 1 130 130 PHE CE1 C 13 131.157 0.2 . 3 . . . . 172 PHE CE1 . 18843 1 1376 . 1 1 130 130 PHE CE2 C 13 131.157 0.2 . 3 . . . . 172 PHE CE2 . 18843 1 1377 . 1 1 130 130 PHE CZ C 13 129.488 0.2 . 1 . . . . 172 PHE CZ . 18843 1 1378 . 1 1 130 130 PHE N N 15 120.428 0.2 . 1 . . . . 172 PHE N . 18843 1 1379 . 1 1 131 131 THR HA H 1 4.774 0.02 . 1 . . . . 173 THR HA . 18843 1 1380 . 1 1 131 131 THR HB H 1 4.179 0.02 . 1 . . . . 173 THR HB . 18843 1 1381 . 1 1 131 131 THR HG21 H 1 1.058 0.02 . 1 . . . . 173 THR HG21 . 18843 1 1382 . 1 1 131 131 THR HG22 H 1 1.058 0.02 . 1 . . . . 173 THR HG22 . 18843 1 1383 . 1 1 131 131 THR HG23 H 1 1.058 0.02 . 1 . . . . 173 THR HG23 . 18843 1 1384 . 1 1 131 131 THR C C 13 174.633 0.2 . 1 . . . . 173 THR C . 18843 1 1385 . 1 1 131 131 THR CA C 13 61.140 0.2 . 1 . . . . 173 THR CA . 18843 1 1386 . 1 1 131 131 THR CB C 13 71.336 0.2 . 1 . . . . 173 THR CB . 18843 1 1387 . 1 1 131 131 THR CG2 C 13 20.838 0.2 . 1 . . . . 173 THR CG2 . 18843 1 1388 . 1 1 132 132 GLY H H 1 8.299 0.02 . 1 . . . . 174 GLY H . 18843 1 1389 . 1 1 132 132 GLY HA2 H 1 4.370 0.02 . 2 . . . . 174 GLY HA2 . 18843 1 1390 . 1 1 132 132 GLY HA3 H 1 4.060 0.02 . 2 . . . . 174 GLY HA3 . 18843 1 1391 . 1 1 132 132 GLY C C 13 172.857 0.2 . 1 . . . . 174 GLY C . 18843 1 1392 . 1 1 132 132 GLY CA C 13 45.075 0.2 . 1 . . . . 174 GLY CA . 18843 1 1393 . 1 1 132 132 GLY N N 15 109.561 0.2 . 1 . . . . 174 GLY N . 18843 1 1394 . 1 1 133 133 PRO HA H 1 4.388 0.02 . 1 . . . . 175 PRO HA . 18843 1 1395 . 1 1 133 133 PRO HB2 H 1 2.350 0.02 . 2 . . . . 175 PRO HB2 . 18843 1 1396 . 1 1 133 133 PRO HB3 H 1 2.001 0.02 . 2 . . . . 175 PRO HB3 . 18843 1 1397 . 1 1 133 133 PRO HG2 H 1 2.081 0.02 . 2 . . . . 175 PRO HG2 . 18843 1 1398 . 1 1 133 133 PRO HG3 H 1 2.096 0.02 . 2 . . . . 175 PRO HG3 . 18843 1 1399 . 1 1 133 133 PRO HD2 H 1 3.816 0.02 . 2 . . . . 175 PRO HD2 . 18843 1 1400 . 1 1 133 133 PRO HD3 H 1 3.624 0.02 . 2 . . . . 175 PRO HD3 . 18843 1 1401 . 1 1 133 133 PRO C C 13 177.522 0.2 . 1 . . . . 175 PRO C . 18843 1 1402 . 1 1 133 133 PRO CA C 13 64.935 0.2 . 1 . . . . 175 PRO CA . 18843 1 1403 . 1 1 133 133 PRO CB C 13 31.947 0.2 . 1 . . . . 175 PRO CB . 18843 1 1404 . 1 1 133 133 PRO CG C 13 27.439 0.2 . 1 . . . . 175 PRO CG . 18843 1 1405 . 1 1 133 133 PRO CD C 13 49.718 0.2 . 1 . . . . 175 PRO CD . 18843 1 1406 . 1 1 134 134 GLN H H 1 8.690 0.02 . 1 . . . . 176 GLN H . 18843 1 1407 . 1 1 134 134 GLN HA H 1 4.676 0.02 . 1 . . . . 176 GLN HA . 18843 1 1408 . 1 1 134 134 GLN HB2 H 1 2.214 0.02 . 2 . . . . 176 GLN HB2 . 18843 1 1409 . 1 1 134 134 GLN HB3 H 1 1.994 0.02 . 2 . . . . 176 GLN HB3 . 18843 1 1410 . 1 1 134 134 GLN HG2 H 1 2.327 0.02 . 2 . . . . 176 GLN HG2 . 18843 1 1411 . 1 1 134 134 GLN HG3 H 1 2.215 0.02 . 2 . . . . 176 GLN HG3 . 18843 1 1412 . 1 1 134 134 GLN HE21 H 1 6.736 0.02 . 1 . . . . 176 GLN HE21 . 18843 1 1413 . 1 1 134 134 GLN HE22 H 1 7.456 0.02 . 1 . . . . 176 GLN HE22 . 18843 1 1414 . 1 1 134 134 GLN C C 13 175.022 0.2 . 1 . . . . 176 GLN C . 18843 1 1415 . 1 1 134 134 GLN CA C 13 55.401 0.2 . 1 . . . . 176 GLN CA . 18843 1 1416 . 1 1 134 134 GLN CB C 13 29.964 0.2 . 1 . . . . 176 GLN CB . 18843 1 1417 . 1 1 134 134 GLN CG C 13 34.903 0.2 . 1 . . . . 176 GLN CG . 18843 1 1418 . 1 1 134 134 GLN N N 15 115.277 0.2 . 1 . . . . 176 GLN N . 18843 1 1419 . 1 1 134 134 GLN NE2 N 15 111.950 0.2 . 1 . . . . 176 GLN NE2 . 18843 1 1420 . 1 1 135 135 CYS H H 1 7.848 0.02 . 1 . . . . 177 CYS H . 18843 1 1421 . 1 1 135 135 CYS HA H 1 4.447 0.02 . 1 . . . . 177 CYS HA . 18843 1 1422 . 1 1 135 135 CYS C C 13 172.824 0.2 . 1 . . . . 177 CYS C . 18843 1 1423 . 1 1 135 135 CYS CA C 13 54.070 0.2 . 1 . . . . 177 CYS CA . 18843 1 1424 . 1 1 135 135 CYS N N 15 113.230 0.2 . 1 . . . . 177 CYS N . 18843 1 1425 . 1 1 136 136 GLU H H 1 7.994 0.02 . 1 . . . . 178 GLU H . 18843 1 1426 . 1 1 136 136 GLU HA H 1 4.072 0.02 . 1 . . . . 178 GLU HA . 18843 1 1427 . 1 1 136 136 GLU HB2 H 1 2.040 0.02 . 2 . . . . 178 GLU HB2 . 18843 1 1428 . 1 1 136 136 GLU HB3 H 1 1.883 0.02 . 2 . . . . 178 GLU HB3 . 18843 1 1429 . 1 1 136 136 GLU HG2 H 1 2.192 0.02 . 2 . . . . 178 GLU HG2 . 18843 1 1430 . 1 1 136 136 GLU HG3 H 1 2.198 0.02 . 2 . . . . 178 GLU HG3 . 18843 1 1431 . 1 1 136 136 GLU C C 13 181.042 0.2 . 1 . . . . 178 GLU C . 18843 1 1432 . 1 1 136 136 GLU CA C 13 58.376 0.2 . 1 . . . . 178 GLU CA . 18843 1 1433 . 1 1 136 136 GLU CB C 13 31.604 0.2 . 1 . . . . 178 GLU CB . 18843 1 1434 . 1 1 136 136 GLU CG C 13 37.040 0.2 . 1 . . . . 178 GLU CG . 18843 1 1435 . 1 1 136 136 GLU N N 15 124.744 0.2 . 1 . . . . 178 GLU N . 18843 1 stop_ save_