data_11466 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11466 _Entry.Title ; NMR chemical shift of bryum coronatum chitinase E61A mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-19 _Entry.Accession_date 2011-12-20 _Entry.Last_release_date 2012-11-02 _Entry.Original_release_date 2012-11-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.21 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Takuya Nagata . . . 11466 2 Shoko Shinya . . . 11466 3 Takayuki Ohnuma . . . 11466 4 Toki Taira . . . 11466 5 Tamo Fukamizo . . . 11466 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11466 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 576 11466 '15N chemical shifts' 191 11466 '1H chemical shifts' 191 11466 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 . . 2012-11-02 2011-12-19 original author . 11466 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11466 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Chitin oligosaccharide binding to a family GH19 chitinase from moss, Bryum coronatumn' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Arch. Biochem. Biophys.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Takuya Nagata . . . 11466 1 2 Shoko Shinya . . . 11466 1 3 Takayuki Ohnuma . . . 11466 1 4 Tamo Fukamizo . . . 11466 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11466 _Assembly.ID 1 _Assembly.Name 'Bryum coronatum chitinase E61A mutant' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Bryum coronatum chitinase E61A mutant' 1 $BcChi-A_E61A A . yes native no no . . . 11466 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 'Bryum coronatum chitinase E61A mutant' 1 CYS 78 78 SG . 1 'Bryum coronatum chitinase E61A mutant' 1 CYS 87 87 SG . . 78 CYS . . . 87 CYS . 11466 1 2 disulfide single . 1 'Bryum coronatum chitinase E61A mutant' 1 CYS 192 192 SG . 1 'Bryum coronatum chitinase E61A mutant' 1 CYS 205 205 SG . . 192 CYS . . . 205 CYS . 11466 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BcChi-A_E61A _Entity.Sf_category entity _Entity.Sf_framecode BcChi-A_E61A _Entity.Entry_ID 11466 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BcChi-A_E61A _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 ; QSWTSFVTPAVFEGWFPNRN PFYTYDGLVSASNGYPEFGT TGSLDDQKRELAAFLGNINQ ASGGLQFIQEQNPQSDYCDT SSTQYPCAAGKQYYGRGPIQ LSWNYNYGEAGADLGLDLLN NPDLVAQDSTVAWRTALWFW MKRDCHGAITASPPSFSGTI RIINGGLECNQPAGSIGNMQ MENRVTYYTQFCQTLGVDPG TDLRC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 205 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11441 . "Bryum coronatum chitinase" . . . . . 100.00 205 99.51 99.51 2.42e-148 . . . . 11466 1 2 no PDB 3WH1 . "Crystal Structure Of A Family Gh19 Chitinase From Bryum Coronatum In Complex With (glcnac)4 At 1.0 A Resolution" . . . . . 100.00 206 100.00 100.00 4.36e-149 . . . . 11466 1 3 no PDB 4IJ4 . "Crystal Structure Of A Family Gh19 Chitinase From Bryum Coronatum In Complex With (glcnac)4" . . . . . 99.51 205 98.53 98.53 5.84e-145 . . . . 11466 1 4 no DBJ BAF99002 . "chitinase A [Bryum coronatum]" . . . . . 100.00 228 99.51 99.51 1.91e-149 . . . . 11466 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GLN . 11466 1 2 2 SER . 11466 1 3 3 TRP . 11466 1 4 4 THR . 11466 1 5 5 SER . 11466 1 6 6 PHE . 11466 1 7 7 VAL . 11466 1 8 8 THR . 11466 1 9 9 PRO . 11466 1 10 10 ALA . 11466 1 11 11 VAL . 11466 1 12 12 PHE . 11466 1 13 13 GLU . 11466 1 14 14 GLY . 11466 1 15 15 TRP . 11466 1 16 16 PHE . 11466 1 17 17 PRO . 11466 1 18 18 ASN . 11466 1 19 19 ARG . 11466 1 20 20 ASN . 11466 1 21 21 PRO . 11466 1 22 22 PHE . 11466 1 23 23 TYR . 11466 1 24 24 THR . 11466 1 25 25 TYR . 11466 1 26 26 ASP . 11466 1 27 27 GLY . 11466 1 28 28 LEU . 11466 1 29 29 VAL . 11466 1 30 30 SER . 11466 1 31 31 ALA . 11466 1 32 32 SER . 11466 1 33 33 ASN . 11466 1 34 34 GLY . 11466 1 35 35 TYR . 11466 1 36 36 PRO . 11466 1 37 37 GLU . 11466 1 38 38 PHE . 11466 1 39 39 GLY . 11466 1 40 40 THR . 11466 1 41 41 THR . 11466 1 42 42 GLY . 11466 1 43 43 SER . 11466 1 44 44 LEU . 11466 1 45 45 ASP . 11466 1 46 46 ASP . 11466 1 47 47 GLN . 11466 1 48 48 LYS . 11466 1 49 49 ARG . 11466 1 50 50 GLU . 11466 1 51 51 LEU . 11466 1 52 52 ALA . 11466 1 53 53 ALA . 11466 1 54 54 PHE . 11466 1 55 55 LEU . 11466 1 56 56 GLY . 11466 1 57 57 ASN . 11466 1 58 58 ILE . 11466 1 59 59 ASN . 11466 1 60 60 GLN . 11466 1 61 61 ALA . 11466 1 62 62 SER . 11466 1 63 63 GLY . 11466 1 64 64 GLY . 11466 1 65 65 LEU . 11466 1 66 66 GLN . 11466 1 67 67 PHE . 11466 1 68 68 ILE . 11466 1 69 69 GLN . 11466 1 70 70 GLU . 11466 1 71 71 GLN . 11466 1 72 72 ASN . 11466 1 73 73 PRO . 11466 1 74 74 GLN . 11466 1 75 75 SER . 11466 1 76 76 ASP . 11466 1 77 77 TYR . 11466 1 78 78 CYS . 11466 1 79 79 ASP . 11466 1 80 80 THR . 11466 1 81 81 SER . 11466 1 82 82 SER . 11466 1 83 83 THR . 11466 1 84 84 GLN . 11466 1 85 85 TYR . 11466 1 86 86 PRO . 11466 1 87 87 CYS . 11466 1 88 88 ALA . 11466 1 89 89 ALA . 11466 1 90 90 GLY . 11466 1 91 91 LYS . 11466 1 92 92 GLN . 11466 1 93 93 TYR . 11466 1 94 94 TYR . 11466 1 95 95 GLY . 11466 1 96 96 ARG . 11466 1 97 97 GLY . 11466 1 98 98 PRO . 11466 1 99 99 ILE . 11466 1 100 100 GLN . 11466 1 101 101 LEU . 11466 1 102 102 SER . 11466 1 103 103 TRP . 11466 1 104 104 ASN . 11466 1 105 105 TYR . 11466 1 106 106 ASN . 11466 1 107 107 TYR . 11466 1 108 108 GLY . 11466 1 109 109 GLU . 11466 1 110 110 ALA . 11466 1 111 111 GLY . 11466 1 112 112 ALA . 11466 1 113 113 ASP . 11466 1 114 114 LEU . 11466 1 115 115 GLY . 11466 1 116 116 LEU . 11466 1 117 117 ASP . 11466 1 118 118 LEU . 11466 1 119 119 LEU . 11466 1 120 120 ASN . 11466 1 121 121 ASN . 11466 1 122 122 PRO . 11466 1 123 123 ASP . 11466 1 124 124 LEU . 11466 1 125 125 VAL . 11466 1 126 126 ALA . 11466 1 127 127 GLN . 11466 1 128 128 ASP . 11466 1 129 129 SER . 11466 1 130 130 THR . 11466 1 131 131 VAL . 11466 1 132 132 ALA . 11466 1 133 133 TRP . 11466 1 134 134 ARG . 11466 1 135 135 THR . 11466 1 136 136 ALA . 11466 1 137 137 LEU . 11466 1 138 138 TRP . 11466 1 139 139 PHE . 11466 1 140 140 TRP . 11466 1 141 141 MET . 11466 1 142 142 LYS . 11466 1 143 143 ARG . 11466 1 144 144 ASP . 11466 1 145 145 CYS . 11466 1 146 146 HIS . 11466 1 147 147 GLY . 11466 1 148 148 ALA . 11466 1 149 149 ILE . 11466 1 150 150 THR . 11466 1 151 151 ALA . 11466 1 152 152 SER . 11466 1 153 153 PRO . 11466 1 154 154 PRO . 11466 1 155 155 SER . 11466 1 156 156 PHE . 11466 1 157 157 SER . 11466 1 158 158 GLY . 11466 1 159 159 THR . 11466 1 160 160 ILE . 11466 1 161 161 ARG . 11466 1 162 162 ILE . 11466 1 163 163 ILE . 11466 1 164 164 ASN . 11466 1 165 165 GLY . 11466 1 166 166 GLY . 11466 1 167 167 LEU . 11466 1 168 168 GLU . 11466 1 169 169 CYS . 11466 1 170 170 ASN . 11466 1 171 171 GLN . 11466 1 172 172 PRO . 11466 1 173 173 ALA . 11466 1 174 174 GLY . 11466 1 175 175 SER . 11466 1 176 176 ILE . 11466 1 177 177 GLY . 11466 1 178 178 ASN . 11466 1 179 179 MET . 11466 1 180 180 GLN . 11466 1 181 181 MET . 11466 1 182 182 GLU . 11466 1 183 183 ASN . 11466 1 184 184 ARG . 11466 1 185 185 VAL . 11466 1 186 186 THR . 11466 1 187 187 TYR . 11466 1 188 188 TYR . 11466 1 189 189 THR . 11466 1 190 190 GLN . 11466 1 191 191 PHE . 11466 1 192 192 CYS . 11466 1 193 193 GLN . 11466 1 194 194 THR . 11466 1 195 195 LEU . 11466 1 196 196 GLY . 11466 1 197 197 VAL . 11466 1 198 198 ASP . 11466 1 199 199 PRO . 11466 1 200 200 GLY . 11466 1 201 201 THR . 11466 1 202 202 ASP . 11466 1 203 203 LEU . 11466 1 204 204 ARG . 11466 1 205 205 CYS . 11466 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 . GLN 1 1 11466 1 . SER 2 2 11466 1 . TRP 3 3 11466 1 . THR 4 4 11466 1 . SER 5 5 11466 1 . PHE 6 6 11466 1 . VAL 7 7 11466 1 . THR 8 8 11466 1 . PRO 9 9 11466 1 . ALA 10 10 11466 1 . VAL 11 11 11466 1 . PHE 12 12 11466 1 . GLU 13 13 11466 1 . GLY 14 14 11466 1 . TRP 15 15 11466 1 . PHE 16 16 11466 1 . PRO 17 17 11466 1 . ASN 18 18 11466 1 . ARG 19 19 11466 1 . ASN 20 20 11466 1 . PRO 21 21 11466 1 . PHE 22 22 11466 1 . TYR 23 23 11466 1 . THR 24 24 11466 1 . TYR 25 25 11466 1 . ASP 26 26 11466 1 . GLY 27 27 11466 1 . LEU 28 28 11466 1 . VAL 29 29 11466 1 . SER 30 30 11466 1 . ALA 31 31 11466 1 . SER 32 32 11466 1 . ASN 33 33 11466 1 . GLY 34 34 11466 1 . TYR 35 35 11466 1 . PRO 36 36 11466 1 . GLU 37 37 11466 1 . PHE 38 38 11466 1 . GLY 39 39 11466 1 . THR 40 40 11466 1 . THR 41 41 11466 1 . GLY 42 42 11466 1 . SER 43 43 11466 1 . LEU 44 44 11466 1 . ASP 45 45 11466 1 . ASP 46 46 11466 1 . GLN 47 47 11466 1 . LYS 48 48 11466 1 . ARG 49 49 11466 1 . GLU 50 50 11466 1 . LEU 51 51 11466 1 . ALA 52 52 11466 1 . ALA 53 53 11466 1 . PHE 54 54 11466 1 . LEU 55 55 11466 1 . GLY 56 56 11466 1 . ASN 57 57 11466 1 . ILE 58 58 11466 1 . ASN 59 59 11466 1 . GLN 60 60 11466 1 . ALA 61 61 11466 1 . SER 62 62 11466 1 . GLY 63 63 11466 1 . GLY 64 64 11466 1 . LEU 65 65 11466 1 . GLN 66 66 11466 1 . PHE 67 67 11466 1 . ILE 68 68 11466 1 . GLN 69 69 11466 1 . GLU 70 70 11466 1 . GLN 71 71 11466 1 . ASN 72 72 11466 1 . PRO 73 73 11466 1 . GLN 74 74 11466 1 . SER 75 75 11466 1 . ASP 76 76 11466 1 . TYR 77 77 11466 1 . CYS 78 78 11466 1 . ASP 79 79 11466 1 . THR 80 80 11466 1 . SER 81 81 11466 1 . SER 82 82 11466 1 . THR 83 83 11466 1 . GLN 84 84 11466 1 . TYR 85 85 11466 1 . PRO 86 86 11466 1 . CYS 87 87 11466 1 . ALA 88 88 11466 1 . ALA 89 89 11466 1 . GLY 90 90 11466 1 . LYS 91 91 11466 1 . GLN 92 92 11466 1 . TYR 93 93 11466 1 . TYR 94 94 11466 1 . GLY 95 95 11466 1 . ARG 96 96 11466 1 . GLY 97 97 11466 1 . PRO 98 98 11466 1 . ILE 99 99 11466 1 . GLN 100 100 11466 1 . LEU 101 101 11466 1 . SER 102 102 11466 1 . TRP 103 103 11466 1 . ASN 104 104 11466 1 . TYR 105 105 11466 1 . ASN 106 106 11466 1 . TYR 107 107 11466 1 . GLY 108 108 11466 1 . GLU 109 109 11466 1 . ALA 110 110 11466 1 . GLY 111 111 11466 1 . ALA 112 112 11466 1 . ASP 113 113 11466 1 . LEU 114 114 11466 1 . GLY 115 115 11466 1 . LEU 116 116 11466 1 . ASP 117 117 11466 1 . LEU 118 118 11466 1 . LEU 119 119 11466 1 . ASN 120 120 11466 1 . ASN 121 121 11466 1 . PRO 122 122 11466 1 . ASP 123 123 11466 1 . LEU 124 124 11466 1 . VAL 125 125 11466 1 . ALA 126 126 11466 1 . GLN 127 127 11466 1 . ASP 128 128 11466 1 . SER 129 129 11466 1 . THR 130 130 11466 1 . VAL 131 131 11466 1 . ALA 132 132 11466 1 . TRP 133 133 11466 1 . ARG 134 134 11466 1 . THR 135 135 11466 1 . ALA 136 136 11466 1 . LEU 137 137 11466 1 . TRP 138 138 11466 1 . PHE 139 139 11466 1 . TRP 140 140 11466 1 . MET 141 141 11466 1 . LYS 142 142 11466 1 . ARG 143 143 11466 1 . ASP 144 144 11466 1 . CYS 145 145 11466 1 . HIS 146 146 11466 1 . GLY 147 147 11466 1 . ALA 148 148 11466 1 . ILE 149 149 11466 1 . THR 150 150 11466 1 . ALA 151 151 11466 1 . SER 152 152 11466 1 . PRO 153 153 11466 1 . PRO 154 154 11466 1 . SER 155 155 11466 1 . PHE 156 156 11466 1 . SER 157 157 11466 1 . GLY 158 158 11466 1 . THR 159 159 11466 1 . ILE 160 160 11466 1 . ARG 161 161 11466 1 . ILE 162 162 11466 1 . ILE 163 163 11466 1 . ASN 164 164 11466 1 . GLY 165 165 11466 1 . GLY 166 166 11466 1 . LEU 167 167 11466 1 . GLU 168 168 11466 1 . CYS 169 169 11466 1 . ASN 170 170 11466 1 . GLN 171 171 11466 1 . PRO 172 172 11466 1 . ALA 173 173 11466 1 . GLY 174 174 11466 1 . SER 175 175 11466 1 . ILE 176 176 11466 1 . GLY 177 177 11466 1 . ASN 178 178 11466 1 . MET 179 179 11466 1 . GLN 180 180 11466 1 . MET 181 181 11466 1 . GLU 182 182 11466 1 . ASN 183 183 11466 1 . ARG 184 184 11466 1 . VAL 185 185 11466 1 . THR 186 186 11466 1 . TYR 187 187 11466 1 . TYR 188 188 11466 1 . THR 189 189 11466 1 . GLN 190 190 11466 1 . PHE 191 191 11466 1 . CYS 192 192 11466 1 . GLN 193 193 11466 1 . THR 194 194 11466 1 . LEU 195 195 11466 1 . GLY 196 196 11466 1 . VAL 197 197 11466 1 . ASP 198 198 11466 1 . PRO 199 199 11466 1 . GLY 200 200 11466 1 . THR 201 201 11466 1 . ASP 202 202 11466 1 . LEU 203 203 11466 1 . ARG 204 204 11466 1 . CYS 205 205 11466 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 11466 _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 $BcChi-A_E61A . 216087 organism . 'Bryum coronatum' 'Bryum coronatum' . . Eukaryota Viridiplantae Bryum coronatum . . . . . . . . . . . . . . . . . . . . . 11466 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 11466 _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 $BcChi-A_E61A . 'recombinant technology' 'Escherichia coli' E.coli . 562 Escherichia coli . . . . . . . . . . . . . . . . pET-22b . . . . . . 11466 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11466 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 BcChi-A_E61A '[U-99% 13C; U-99% 15N]' . . 1 $BcChi-A_E61A . protein 0.4 . . mM . . . . 11466 1 2 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 11466 1 3 H2O . . . . . . solvent 90 . . % . . . . 11466 1 4 D2O . . . . . . solvent 10 . . % . . . . 11466 1 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 11466 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.0 . pH 11466 1 temperature 300 . K 11466 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11466 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11466 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11466 1 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 11466 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11466 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 11466 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 11466 _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 . . . . . . . . . . . . . . . . 11466 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11466 1 3 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11466 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11466 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11466 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 11466 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 11466 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11466 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11466 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 11466 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 11466 1 2 '3D HNCO' . . . 11466 1 3 '3D HNCACO' . . . 11466 1 4 '3D CBCA(CO)NH' . . . 11466 1 5 '3D HNCACB' . . . 11466 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 1 1 GLN H H 1 8.874 0.004 . 1 . . . . 1 GLN HN . 11466 1 2 . 1 1 1 1 GLN C C 13 176.234 0.008 . 1 . . . . 1 GLN CO . 11466 1 3 . 1 1 1 1 GLN CA C 13 55.216 0.058 . 1 . . . . 1 GLN CA . 11466 1 4 . 1 1 1 1 GLN CB C 13 30.246 0.041 . 1 . . . . 1 GLN CB . 11466 1 5 . 1 1 1 1 GLN N N 15 122.922 0.047 . 1 . . . . 1 GLN N . 11466 1 6 . 1 1 2 2 SER H H 1 8.646 0.003 . 1 . . . . 2 SER HN . 11466 1 7 . 1 1 2 2 SER C C 13 176.141 0 . 1 . . . . 2 SER CO . 11466 1 8 . 1 1 2 2 SER CA C 13 58.99 0.067 . 1 . . . . 2 SER CA . 11466 1 9 . 1 1 2 2 SER CB C 13 62.795 0.038 . 1 . . . . 2 SER CB . 11466 1 10 . 1 1 2 2 SER N N 15 116.677 0.047 . 1 . . . . 2 SER N . 11466 1 11 . 1 1 3 3 TRP H H 1 7.05 0.005 . 1 . . . . 3 TRP HN . 11466 1 12 . 1 1 3 3 TRP C C 13 177.586 0.008 . 1 . . . . 3 TRP CO . 11466 1 13 . 1 1 3 3 TRP CA C 13 56.928 0.029 . 1 . . . . 3 TRP CA . 11466 1 14 . 1 1 3 3 TRP CB C 13 27.762 0.061 . 1 . . . . 3 TRP CB . 11466 1 15 . 1 1 3 3 TRP N N 15 123.158 0.061 . 1 . . . . 3 TRP N . 11466 1 16 . 1 1 4 4 THR H H 1 6.722 0.005 . 1 . . . . 4 THR HN . 11466 1 17 . 1 1 4 4 THR C C 13 174.542 0.009 . 1 . . . . 4 THR CO . 11466 1 18 . 1 1 4 4 THR CA C 13 62.638 0.016 . 1 . . . . 4 THR CA . 11466 1 19 . 1 1 4 4 THR CB C 13 68.542 0.065 . 1 . . . . 4 THR CB . 11466 1 20 . 1 1 4 4 THR N N 15 114.166 0.075 . 1 . . . . 4 THR N . 11466 1 21 . 1 1 5 5 SER H H 1 7.246 0.005 . 1 . . . . 5 SER HN . 11466 1 22 . 1 1 5 5 SER C C 13 174.599 0.007 . 1 . . . . 5 SER CO . 11466 1 23 . 1 1 5 5 SER CA C 13 60.2 0.016 . 1 . . . . 5 SER CA . 11466 1 24 . 1 1 5 5 SER CB C 13 63.426 0.039 . 1 . . . . 5 SER CB . 11466 1 25 . 1 1 5 5 SER N N 15 114.342 0.062 . 1 . . . . 5 SER N . 11466 1 26 . 1 1 6 6 PHE H H 1 6.773 0.006 . 1 . . . . 6 PHE HN . 11466 1 27 . 1 1 6 6 PHE C C 13 176.197 0.006 . 1 . . . . 6 PHE CO . 11466 1 28 . 1 1 6 6 PHE CA C 13 56.791 0.05 . 1 . . . . 6 PHE CA . 11466 1 29 . 1 1 6 6 PHE CB C 13 39.544 0.065 . 1 . . . . 6 PHE CB . 11466 1 30 . 1 1 6 6 PHE N N 15 114.417 0.046 . 1 . . . . 6 PHE N . 11466 1 31 . 1 1 7 7 VAL H H 1 7.859 0.008 . 1 . . . . 7 VAL HN . 11466 1 32 . 1 1 7 7 VAL C C 13 173.619 0.006 . 1 . . . . 7 VAL CO . 11466 1 33 . 1 1 7 7 VAL CA C 13 62.905 0.079 . 1 . . . . 7 VAL CA . 11466 1 34 . 1 1 7 7 VAL CB C 13 29.469 0.021 . 1 . . . . 7 VAL CB . 11466 1 35 . 1 1 7 7 VAL N N 15 125.398 0.066 . 1 . . . . 7 VAL N . 11466 1 36 . 1 1 8 8 THR H H 1 6.22 0.009 . 1 . . . . 8 THR HN . 11466 1 37 . 1 1 8 8 THR CA C 13 59.548 0 . 1 . . . . 8 THR CA . 11466 1 38 . 1 1 8 8 THR CB C 13 67.993 0 . 1 . . . . 8 THR CB . 11466 1 39 . 1 1 8 8 THR N N 15 114.84 0.065 . 1 . . . . 8 THR N . 11466 1 40 . 1 1 9 9 PRO C C 13 177.934 0.009 . 1 . . . . 9 PRO CO . 11466 1 41 . 1 1 9 9 PRO CA C 13 65.757 0 . 1 . . . . 9 PRO CA . 11466 1 42 . 1 1 9 9 PRO CB C 13 30.395 0 . 1 . . . . 9 PRO CB . 11466 1 43 . 1 1 10 10 ALA H H 1 7.477 0.005 . 1 . . . . 10 ALA HN . 11466 1 44 . 1 1 10 10 ALA C C 13 181.054 0.004 . 1 . . . . 10 ALA CO . 11466 1 45 . 1 1 10 10 ALA CA C 13 54.796 0.079 . 1 . . . . 10 ALA CA . 11466 1 46 . 1 1 10 10 ALA CB C 13 18.231 0.011 . 1 . . . . 10 ALA CB . 11466 1 47 . 1 1 10 10 ALA N N 15 116.345 0.041 . 1 . . . . 10 ALA N . 11466 1 48 . 1 1 11 11 VAL H H 1 7.201 0.005 . 1 . . . . 11 VAL HN . 11466 1 49 . 1 1 11 11 VAL C C 13 177.254 0.01 . 1 . . . . 11 VAL CO . 11466 1 50 . 1 1 11 11 VAL CA C 13 65.237 0.06 . 1 . . . . 11 VAL CA . 11466 1 51 . 1 1 11 11 VAL CB C 13 31.441 0.023 . 1 . . . . 11 VAL CB . 11466 1 52 . 1 1 11 11 VAL N N 15 121.15 0.052 . 1 . . . . 11 VAL N . 11466 1 53 . 1 1 12 12 PHE H H 1 7.856 0.005 . 1 . . . . 12 PHE HN . 11466 1 54 . 1 1 12 12 PHE C C 13 176.256 0.024 . 1 . . . . 12 PHE CO . 11466 1 55 . 1 1 12 12 PHE CA C 13 62.196 0.024 . 1 . . . . 12 PHE CA . 11466 1 56 . 1 1 12 12 PHE CB C 13 40.593 0.089 . 1 . . . . 12 PHE CB . 11466 1 57 . 1 1 12 12 PHE N N 15 119.061 0.065 . 1 . . . . 12 PHE N . 11466 1 58 . 1 1 13 13 GLU H H 1 8.524 0.006 . 1 . . . . 13 GLU HN . 11466 1 59 . 1 1 13 13 GLU C C 13 178.754 0.046 . 1 . . . . 13 GLU CO . 11466 1 60 . 1 1 13 13 GLU CA C 13 58.814 0.006 . 1 . . . . 13 GLU CA . 11466 1 61 . 1 1 13 13 GLU CB C 13 28.822 0 . 1 . . . . 13 GLU CB . 11466 1 62 . 1 1 13 13 GLU N N 15 116.976 0.099 . 1 . . . . 13 GLU N . 11466 1 63 . 1 1 14 14 GLY H H 1 7.484 0.005 . 1 . . . . 14 GLY HN . 11466 1 64 . 1 1 14 14 GLY C C 13 176.368 0.006 . 1 . . . . 14 GLY CO . 11466 1 65 . 1 1 14 14 GLY CA C 13 46.023 0.027 . 1 . . . . 14 GLY CA . 11466 1 66 . 1 1 14 14 GLY N N 15 103.985 0.086 . 1 . . . . 14 GLY N . 11466 1 67 . 1 1 15 15 TRP H H 1 7.545 0.007 . 1 . . . . 15 TRP HN . 11466 1 68 . 1 1 15 15 TRP C C 13 176.553 0.008 . 1 . . . . 15 TRP CO . 11466 1 69 . 1 1 15 15 TRP CA C 13 55.721 0.024 . 1 . . . . 15 TRP CA . 11466 1 70 . 1 1 15 15 TRP CB C 13 30.192 0.057 . 1 . . . . 15 TRP CB . 11466 1 71 . 1 1 15 15 TRP N N 15 121.047 0.071 . 1 . . . . 15 TRP N . 11466 1 72 . 1 1 16 16 PHE H H 1 7.396 0.004 . 1 . . . . 16 PHE HN . 11466 1 73 . 1 1 16 16 PHE CA C 13 55.476 0 . 1 . . . . 16 PHE CA . 11466 1 74 . 1 1 16 16 PHE CB C 13 39.554 0 . 1 . . . . 16 PHE CB . 11466 1 75 . 1 1 16 16 PHE N N 15 114.547 0.079 . 1 . . . . 16 PHE N . 11466 1 76 . 1 1 17 17 PRO CA C 13 64.944 0 . 1 . . . . 17 PRO CA . 11466 1 77 . 1 1 17 17 PRO CB C 13 31.793 0 . 1 . . . . 17 PRO CB . 11466 1 78 . 1 1 18 18 ASN H H 1 8.486 0.003 . 1 . . . . 18 ASN HN . 11466 1 79 . 1 1 18 18 ASN C C 13 173.973 0 . 1 . . . . 18 ASN CO . 11466 1 80 . 1 1 18 18 ASN CA C 13 52.065 0.007 . 1 . . . . 18 ASN CA . 11466 1 81 . 1 1 18 18 ASN CB C 13 38.891 0.001 . 1 . . . . 18 ASN CB . 11466 1 82 . 1 1 18 18 ASN N N 15 117.23 0.036 . 1 . . . . 18 ASN N . 11466 1 83 . 1 1 19 19 ARG H H 1 6.804 0.005 . 1 . . . . 19 ARG HN . 11466 1 84 . 1 1 19 19 ARG C C 13 175.172 0.034 . 1 . . . . 19 ARG CO . 11466 1 85 . 1 1 19 19 ARG CA C 13 54.882 0.09 . 1 . . . . 19 ARG CA . 11466 1 86 . 1 1 19 19 ARG CB C 13 31.252 0.03 . 1 . . . . 19 ARG CB . 11466 1 87 . 1 1 19 19 ARG N N 15 116.12 0.059 . 1 . . . . 19 ARG N . 11466 1 88 . 1 1 20 20 ASN H H 1 8.807 0.005 . 1 . . . . 20 ASN HN . 11466 1 89 . 1 1 20 20 ASN CA C 13 52.075 0 . 1 . . . . 20 ASN CA . 11466 1 90 . 1 1 20 20 ASN CB C 13 39.645 0 . 1 . . . . 20 ASN CB . 11466 1 91 . 1 1 20 20 ASN N N 15 124.717 0.046 . 1 . . . . 20 ASN N . 11466 1 92 . 1 1 21 21 PRO CA C 13 64.262 0 . 1 . . . . 21 PRO CA . 11466 1 93 . 1 1 21 21 PRO CB C 13 31.69 0 . 1 . . . . 21 PRO CB . 11466 1 94 . 1 1 22 22 PHE H H 1 8.573 0.006 . 1 . . . . 22 PHE HN . 11466 1 95 . 1 1 22 22 PHE C C 13 176.056 0.012 . 1 . . . . 22 PHE CO . 11466 1 96 . 1 1 22 22 PHE CA C 13 60.731 0.049 . 1 . . . . 22 PHE CA . 11466 1 97 . 1 1 22 22 PHE CB C 13 42.235 0.001 . 1 . . . . 22 PHE CB . 11466 1 98 . 1 1 22 22 PHE N N 15 119.564 0.011 . 1 . . . . 22 PHE N . 11466 1 99 . 1 1 23 23 TYR H H 1 8.232 0.002 . 1 . . . . 23 TYR HN . 11466 1 100 . 1 1 23 23 TYR C C 13 174.97 0.006 . 1 . . . . 23 TYR CO . 11466 1 101 . 1 1 23 23 TYR CA C 13 58.21 0.065 . 1 . . . . 23 TYR CA . 11466 1 102 . 1 1 23 23 TYR CB C 13 39.957 0.022 . 1 . . . . 23 TYR CB . 11466 1 103 . 1 1 23 23 TYR N N 15 113.88 0.078 . 1 . . . . 23 TYR N . 11466 1 104 . 1 1 24 24 THR H H 1 8.934 0.004 . 1 . . . . 24 THR HN . 11466 1 105 . 1 1 24 24 THR C C 13 174.165 0.006 . 1 . . . . 24 THR CO . 11466 1 106 . 1 1 24 24 THR CA C 13 58.123 0.003 . 1 . . . . 24 THR CA . 11466 1 107 . 1 1 24 24 THR CB C 13 71.961 0.063 . 1 . . . . 24 THR CB . 11466 1 108 . 1 1 24 24 THR N N 15 113.07 0.096 . 1 . . . . 24 THR N . 11466 1 109 . 1 1 25 25 TYR H H 1 9.053 0.006 . 1 . . . . 25 TYR HN . 11466 1 110 . 1 1 25 25 TYR C C 13 176.586 0.011 . 1 . . . . 25 TYR CO . 11466 1 111 . 1 1 25 25 TYR CA C 13 60.816 0.018 . 1 . . . . 25 TYR CA . 11466 1 112 . 1 1 25 25 TYR CB C 13 38.191 0.005 . 1 . . . . 25 TYR CB . 11466 1 113 . 1 1 25 25 TYR N N 15 124.274 0.036 . 1 . . . . 25 TYR N . 11466 1 114 . 1 1 26 26 ASP H H 1 8.381 0.004 . 1 . . . . 26 ASP HN . 11466 1 115 . 1 1 26 26 ASP C C 13 178.633 0.019 . 1 . . . . 26 ASP CO . 11466 1 116 . 1 1 26 26 ASP CA C 13 56.78 0.055 . 1 . . . . 26 ASP CA . 11466 1 117 . 1 1 26 26 ASP CB C 13 40.048 0.062 . 1 . . . . 26 ASP CB . 11466 1 118 . 1 1 26 26 ASP N N 15 115.513 0.061 . 1 . . . . 26 ASP N . 11466 1 119 . 1 1 27 27 GLY H H 1 7.884 0.005 . 1 . . . . 27 GLY HN . 11466 1 120 . 1 1 27 27 GLY C C 13 174.738 0.027 . 1 . . . . 27 GLY CO . 11466 1 121 . 1 1 27 27 GLY CA C 13 46.852 0.002 . 1 . . . . 27 GLY CA . 11466 1 122 . 1 1 27 27 GLY N N 15 108.511 0.078 . 1 . . . . 27 GLY N . 11466 1 123 . 1 1 28 28 LEU H H 1 6.324 0.006 . 1 . . . . 28 LEU HN . 11466 1 124 . 1 1 28 28 LEU C C 13 178.116 0.011 . 1 . . . . 28 LEU CO . 11466 1 125 . 1 1 28 28 LEU CA C 13 57.49 0.04 . 1 . . . . 28 LEU CA . 11466 1 126 . 1 1 28 28 LEU CB C 13 38.319 0.034 . 1 . . . . 28 LEU CB . 11466 1 127 . 1 1 28 28 LEU N N 15 124.776 0.073 . 1 . . . . 28 LEU N . 11466 1 128 . 1 1 29 29 VAL H H 1 7.739 0.005 . 1 . . . . 29 VAL HN . 11466 1 129 . 1 1 29 29 VAL C C 13 179.769 0.029 . 1 . . . . 29 VAL CO . 11466 1 130 . 1 1 29 29 VAL CA C 13 66.914 0.04 . 1 . . . . 29 VAL CA . 11466 1 131 . 1 1 29 29 VAL CB C 13 31.31 0 . 1 . . . . 29 VAL CB . 11466 1 132 . 1 1 29 29 VAL N N 15 119.405 0.08 . 1 . . . . 29 VAL N . 11466 1 133 . 1 1 30 30 SER H H 1 8.231 0.005 . 1 . . . . 30 SER HN . 11466 1 134 . 1 1 30 30 SER C C 13 177.946 0.004 . 1 . . . . 30 SER CO . 11466 1 135 . 1 1 30 30 SER CA C 13 61.215 0.018 . 1 . . . . 30 SER CA . 11466 1 136 . 1 1 30 30 SER CB C 13 62.86 0.047 . 1 . . . . 30 SER CB . 11466 1 137 . 1 1 30 30 SER N N 15 114.332 0.075 . 1 . . . . 30 SER N . 11466 1 138 . 1 1 31 31 ALA H H 1 8.331 0.006 . 1 . . . . 31 ALA HN . 11466 1 139 . 1 1 31 31 ALA C C 13 180.319 0.01 . 1 . . . . 31 ALA CO . 11466 1 140 . 1 1 31 31 ALA CA C 13 54.864 0.005 . 1 . . . . 31 ALA CA . 11466 1 141 . 1 1 31 31 ALA CB C 13 20.138 0.042 . 1 . . . . 31 ALA CB . 11466 1 142 . 1 1 31 31 ALA N N 15 122.778 0.061 . 1 . . . . 31 ALA N . 11466 1 143 . 1 1 32 32 SER H H 1 8.424 0.004 . 1 . . . . 32 SER HN . 11466 1 144 . 1 1 32 32 SER CA C 13 62.118 0.028 . 1 . . . . 32 SER CA . 11466 1 145 . 1 1 32 32 SER N N 15 114.592 0.047 . 1 . . . . 32 SER N . 11466 1 146 . 1 1 33 33 ASN H H 1 7.538 0.004 . 1 . . . . 33 ASN HN . 11466 1 147 . 1 1 33 33 ASN C C 13 176.858 0.007 . 1 . . . . 33 ASN CO . 11466 1 148 . 1 1 33 33 ASN CA C 13 55.273 0.025 . 1 . . . . 33 ASN CA . 11466 1 149 . 1 1 33 33 ASN CB C 13 37.99 0.022 . 1 . . . . 33 ASN CB . 11466 1 150 . 1 1 33 33 ASN N N 15 121.088 0.059 . 1 . . . . 33 ASN N . 11466 1 151 . 1 1 34 34 GLY H H 1 7.517 0.005 . 1 . . . . 34 GLY HN . 11466 1 152 . 1 1 34 34 GLY C C 13 172.538 0.011 . 1 . . . . 34 GLY CO . 11466 1 153 . 1 1 34 34 GLY CA C 13 44.963 0.036 . 1 . . . . 34 GLY CA . 11466 1 154 . 1 1 34 34 GLY N N 15 103.427 0.051 . 1 . . . . 34 GLY N . 11466 1 155 . 1 1 35 35 TYR H H 1 7.494 0.005 . 1 . . . . 35 TYR HN . 11466 1 156 . 1 1 35 35 TYR C C 13 173.259 0 . 1 . . . . 35 TYR CO . 11466 1 157 . 1 1 35 35 TYR CA C 13 55.841 0 . 1 . . . . 35 TYR CA . 11466 1 158 . 1 1 35 35 TYR CB C 13 40.126 0 . 1 . . . . 35 TYR CB . 11466 1 159 . 1 1 35 35 TYR N N 15 117.702 0.048 . 1 . . . . 35 TYR N . 11466 1 160 . 1 1 36 36 PRO C C 13 177.39 0.002 . 1 . . . . 36 PRO CO . 11466 1 161 . 1 1 36 36 PRO CA C 13 65.007 0 . 1 . . . . 36 PRO CA . 11466 1 162 . 1 1 36 36 PRO CB C 13 31.781 0 . 1 . . . . 36 PRO CB . 11466 1 163 . 1 1 37 37 GLU H H 1 9.061 0.007 . 1 . . . . 37 GLU HN . 11466 1 164 . 1 1 37 37 GLU C C 13 179.016 0.009 . 1 . . . . 37 GLU CO . 11466 1 165 . 1 1 37 37 GLU CA C 13 57.676 0.078 . 1 . . . . 37 GLU CA . 11466 1 166 . 1 1 37 37 GLU CB C 13 28.884 0.072 . 1 . . . . 37 GLU CB . 11466 1 167 . 1 1 37 37 GLU N N 15 114.129 0.07 . 1 . . . . 37 GLU N . 11466 1 168 . 1 1 38 38 PHE H H 1 8.384 0.005 . 1 . . . . 38 PHE HN . 11466 1 169 . 1 1 38 38 PHE C C 13 175.576 0.008 . 1 . . . . 38 PHE CO . 11466 1 170 . 1 1 38 38 PHE CA C 13 59.348 0.048 . 1 . . . . 38 PHE CA . 11466 1 171 . 1 1 38 38 PHE CB C 13 37.311 0.058 . 1 . . . . 38 PHE CB . 11466 1 172 . 1 1 38 38 PHE N N 15 123.684 0.081 . 1 . . . . 38 PHE N . 11466 1 173 . 1 1 39 39 GLY H H 1 8.462 0.007 . 1 . . . . 39 GLY HN . 11466 1 174 . 1 1 39 39 GLY C C 13 172.882 0.023 . 1 . . . . 39 GLY CO . 11466 1 175 . 1 1 39 39 GLY CA C 13 46.815 0.044 . 1 . . . . 39 GLY CA . 11466 1 176 . 1 1 39 39 GLY N N 15 117.161 0.046 . 1 . . . . 39 GLY N . 11466 1 177 . 1 1 40 40 THR H H 1 7.172 0.005 . 1 . . . . 40 THR HN . 11466 1 178 . 1 1 40 40 THR C C 13 174.298 0.002 . 1 . . . . 40 THR CO . 11466 1 179 . 1 1 40 40 THR CA C 13 61.159 0.039 . 1 . . . . 40 THR CA . 11466 1 180 . 1 1 40 40 THR CB C 13 69.81 0.009 . 1 . . . . 40 THR CB . 11466 1 181 . 1 1 40 40 THR N N 15 106.179 0.058 . 1 . . . . 40 THR N . 11466 1 182 . 1 1 41 41 THR H H 1 9.16 0.007 . 1 . . . . 41 THR HN . 11466 1 183 . 1 1 41 41 THR C C 13 173.077 0.011 . 1 . . . . 41 THR CO . 11466 1 184 . 1 1 41 41 THR CA C 13 63.358 0.009 . 1 . . . . 41 THR CA . 11466 1 185 . 1 1 41 41 THR CB C 13 70.764 0.002 . 1 . . . . 41 THR CB . 11466 1 186 . 1 1 41 41 THR N N 15 122.35 0.055 . 1 . . . . 41 THR N . 11466 1 187 . 1 1 42 42 GLY H H 1 8.473 0.004 . 1 . . . . 42 GLY HN . 11466 1 188 . 1 1 42 42 GLY C C 13 175.69 0.005 . 1 . . . . 42 GLY CO . 11466 1 189 . 1 1 42 42 GLY CA C 13 44.027 0.019 . 1 . . . . 42 GLY CA . 11466 1 190 . 1 1 42 42 GLY N N 15 112.397 0.056 . 1 . . . . 42 GLY N . 11466 1 191 . 1 1 43 43 SER H H 1 9.405 0.006 . 1 . . . . 43 SER HN . 11466 1 192 . 1 1 43 43 SER C C 13 174.657 0.006 . 1 . . . . 43 SER CO . 11466 1 193 . 1 1 43 43 SER CA C 13 57.514 0.058 . 1 . . . . 43 SER CA . 11466 1 194 . 1 1 43 43 SER CB C 13 65.636 0 . 1 . . . . 43 SER CB . 11466 1 195 . 1 1 43 43 SER N N 15 118.86 0.041 . 1 . . . . 43 SER N . 11466 1 196 . 1 1 44 44 LEU H H 1 8.727 0.006 . 1 . . . . 44 LEU HN . 11466 1 197 . 1 1 44 44 LEU C C 13 178.096 0.016 . 1 . . . . 44 LEU CO . 11466 1 198 . 1 1 44 44 LEU CA C 13 57.953 0.01 . 1 . . . . 44 LEU CA . 11466 1 199 . 1 1 44 44 LEU CB C 13 41.12 0.091 . 1 . . . . 44 LEU CB . 11466 1 200 . 1 1 44 44 LEU N N 15 121.885 0.064 . 1 . . . . 44 LEU N . 11466 1 201 . 1 1 45 45 ASP H H 1 7.732 0.004 . 1 . . . . 45 ASP HN . 11466 1 202 . 1 1 45 45 ASP C C 13 177.629 0.019 . 1 . . . . 45 ASP CO . 11466 1 203 . 1 1 45 45 ASP CA C 13 57.285 0.051 . 1 . . . . 45 ASP CA . 11466 1 204 . 1 1 45 45 ASP CB C 13 39.977 0.089 . 1 . . . . 45 ASP CB . 11466 1 205 . 1 1 45 45 ASP N N 15 116.218 0.046 . 1 . . . . 45 ASP N . 11466 1 206 . 1 1 46 46 ASP H H 1 7.422 0.004 . 1 . . . . 46 ASP HN . 11466 1 207 . 1 1 46 46 ASP C C 13 177.602 0.001 . 1 . . . . 46 ASP CO . 11466 1 208 . 1 1 46 46 ASP CA C 13 57.047 0.007 . 1 . . . . 46 ASP CA . 11466 1 209 . 1 1 46 46 ASP CB C 13 40.947 0.006 . 1 . . . . 46 ASP CB . 11466 1 210 . 1 1 46 46 ASP N N 15 120.238 0.053 . 1 . . . . 46 ASP N . 11466 1 211 . 1 1 47 47 GLN H H 1 8.01 0.004 . 1 . . . . 47 GLN HN . 11466 1 212 . 1 1 47 47 GLN C C 13 178.713 0.01 . 1 . . . . 47 GLN CO . 11466 1 213 . 1 1 47 47 GLN CA C 13 58.477 0.03 . 1 . . . . 47 GLN CA . 11466 1 214 . 1 1 47 47 GLN CB C 13 28.731 0.093 . 1 . . . . 47 GLN CB . 11466 1 215 . 1 1 47 47 GLN N N 15 120.443 0.036 . 1 . . . . 47 GLN N . 11466 1 216 . 1 1 48 48 LYS H H 1 7.86 0.005 . 1 . . . . 48 LYS HN . 11466 1 217 . 1 1 48 48 LYS C C 13 178.399 0.016 . 1 . . . . 48 LYS CO . 11466 1 218 . 1 1 48 48 LYS CA C 13 59.382 0.018 . 1 . . . . 48 LYS CA . 11466 1 219 . 1 1 48 48 LYS CB C 13 34.052 0.011 . 1 . . . . 48 LYS CB . 11466 1 220 . 1 1 48 48 LYS N N 15 117.431 0.063 . 1 . . . . 48 LYS N . 11466 1 221 . 1 1 49 49 ARG H H 1 8.486 0.004 . 1 . . . . 49 ARG HN . 11466 1 222 . 1 1 49 49 ARG C C 13 179.48 0.014 . 1 . . . . 49 ARG CO . 11466 1 223 . 1 1 49 49 ARG CA C 13 61.339 0.054 . 1 . . . . 49 ARG CA . 11466 1 224 . 1 1 49 49 ARG CB C 13 32.067 0.03 . 1 . . . . 49 ARG CB . 11466 1 225 . 1 1 49 49 ARG N N 15 117.583 0.071 . 1 . . . . 49 ARG N . 11466 1 226 . 1 1 50 50 GLU H H 1 8.785 0.006 . 1 . . . . 50 GLU HN . 11466 1 227 . 1 1 50 50 GLU C C 13 177.593 0.004 . 1 . . . . 50 GLU CO . 11466 1 228 . 1 1 50 50 GLU CA C 13 61.41 0.006 . 1 . . . . 50 GLU CA . 11466 1 229 . 1 1 50 50 GLU CB C 13 26.882 0.011 . 1 . . . . 50 GLU CB . 11466 1 230 . 1 1 50 50 GLU N N 15 118.311 0.064 . 1 . . . . 50 GLU N . 11466 1 231 . 1 1 51 51 LEU H H 1 7.712 0.007 . 1 . . . . 51 LEU HN . 11466 1 232 . 1 1 51 51 LEU C C 13 179.681 0.001 . 1 . . . . 51 LEU CO . 11466 1 233 . 1 1 51 51 LEU CA C 13 55.06 0.02 . 1 . . . . 51 LEU CA . 11466 1 234 . 1 1 51 51 LEU CB C 13 40.45 0.036 . 1 . . . . 51 LEU CB . 11466 1 235 . 1 1 51 51 LEU N N 15 123.029 0.089 . 1 . . . . 51 LEU N . 11466 1 236 . 1 1 52 52 ALA H H 1 8.675 0.004 . 1 . . . . 52 ALA HN . 11466 1 237 . 1 1 52 52 ALA C C 13 180.319 0.001 . 1 . . . . 52 ALA CO . 11466 1 238 . 1 1 52 52 ALA CA C 13 55.721 0.098 . 1 . . . . 52 ALA CA . 11466 1 239 . 1 1 52 52 ALA CB C 13 20.118 0.041 . 1 . . . . 52 ALA CB . 11466 1 240 . 1 1 52 52 ALA N N 15 120.406 0.055 . 1 . . . . 52 ALA N . 11466 1 241 . 1 1 53 53 ALA H H 1 9.658 0.006 . 1 . . . . 53 ALA HN . 11466 1 242 . 1 1 53 53 ALA C C 13 180.173 0.003 . 1 . . . . 53 ALA CO . 11466 1 243 . 1 1 53 53 ALA CA C 13 55.379 0.086 . 1 . . . . 53 ALA CA . 11466 1 244 . 1 1 53 53 ALA CB C 13 19.509 0.002 . 1 . . . . 53 ALA CB . 11466 1 245 . 1 1 53 53 ALA N N 15 121.217 0.044 . 1 . . . . 53 ALA N . 11466 1 246 . 1 1 54 54 PHE H H 1 9.088 0.005 . 1 . . . . 54 PHE HN . 11466 1 247 . 1 1 54 54 PHE C C 13 176.73 0.026 . 1 . . . . 54 PHE CO . 11466 1 248 . 1 1 54 54 PHE CA C 13 60.522 0.011 . 1 . . . . 54 PHE CA . 11466 1 249 . 1 1 54 54 PHE CB C 13 39.555 0.084 . 1 . . . . 54 PHE CB . 11466 1 250 . 1 1 54 54 PHE N N 15 123.895 0.071 . 1 . . . . 54 PHE N . 11466 1 251 . 1 1 55 55 LEU H H 1 8.774 0.006 . 1 . . . . 55 LEU HN . 11466 1 252 . 1 1 55 55 LEU C C 13 179.632 0.003 . 1 . . . . 55 LEU CO . 11466 1 253 . 1 1 55 55 LEU CA C 13 57.622 0.086 . 1 . . . . 55 LEU CA . 11466 1 254 . 1 1 55 55 LEU CB C 13 39.432 0 . 1 . . . . 55 LEU CB . 11466 1 255 . 1 1 55 55 LEU N N 15 116.897 0.078 . 1 . . . . 55 LEU N . 11466 1 256 . 1 1 56 56 GLY H H 1 9.247 0.006 . 1 . . . . 56 GLY HN . 11466 1 257 . 1 1 56 56 GLY C C 13 175.017 0.011 . 1 . . . . 56 GLY CO . 11466 1 258 . 1 1 56 56 GLY CA C 13 47.75 4.482 . 1 . . . . 56 GLY CA . 11466 1 259 . 1 1 56 56 GLY N N 15 113.068 0.052 . 1 . . . . 56 GLY N . 11466 1 260 . 1 1 57 57 ASN H H 1 7.83 0.005 . 1 . . . . 57 ASN HN . 11466 1 261 . 1 1 57 57 ASN C C 13 178.818 0 . 1 . . . . 57 ASN CO . 11466 1 262 . 1 1 57 57 ASN CA C 13 58.051 0 . 1 . . . . 57 ASN CA . 11466 1 263 . 1 1 57 57 ASN CB C 13 39.213 0 . 1 . . . . 57 ASN CB . 11466 1 264 . 1 1 57 57 ASN N N 15 119.173 0.089 . 1 . . . . 57 ASN N . 11466 1 265 . 1 1 58 58 ILE H H 1 8.324 0.004 . 1 . . . . 58 ILE HN . 11466 1 266 . 1 1 58 58 ILE C C 13 179.349 0.012 . 1 . . . . 58 ILE CO . 11466 1 267 . 1 1 58 58 ILE CA C 13 63.278 0.025 . 1 . . . . 58 ILE CA . 11466 1 268 . 1 1 58 58 ILE CB C 13 35.868 0.009 . 1 . . . . 58 ILE CB . 11466 1 269 . 1 1 58 58 ILE N N 15 122.212 0.054 . 1 . . . . 58 ILE N . 11466 1 270 . 1 1 59 59 ASN H H 1 8.999 0.006 . 1 . . . . 59 ASN HN . 11466 1 271 . 1 1 59 59 ASN C C 13 176.642 0.004 . 1 . . . . 59 ASN CO . 11466 1 272 . 1 1 59 59 ASN CA C 13 57.407 0.036 . 1 . . . . 59 ASN CA . 11466 1 273 . 1 1 59 59 ASN CB C 13 37.477 0.028 . 1 . . . . 59 ASN CB . 11466 1 274 . 1 1 59 59 ASN N N 15 123.392 0.055 . 1 . . . . 59 ASN N . 11466 1 275 . 1 1 60 60 GLN H H 1 7.073 0.004 . 1 . . . . 60 GLN HN . 11466 1 276 . 1 1 60 60 GLN CB C 13 27.751 0 . 1 . . . . 60 GLN CB . 11466 1 277 . 1 1 60 60 GLN N N 15 115.762 0.05 . 1 . . . . 60 GLN N . 11466 1 278 . 1 1 61 61 ALA C C 13 177.863 0 . 1 . . . . 61 ALA CO . 11466 1 279 . 1 1 61 61 ALA CA C 13 54.928 0 . 1 . . . . 61 ALA CA . 11466 1 280 . 1 1 61 61 ALA CB C 13 19.271 0 . 1 . . . . 61 ALA CB . 11466 1 281 . 1 1 62 62 SER H H 1 8.184 0.005 . 1 . . . . 62 SER HN . 11466 1 282 . 1 1 62 62 SER C C 13 175.173 0.007 . 1 . . . . 62 SER CO . 11466 1 283 . 1 1 62 62 SER CA C 13 57.752 0.086 . 1 . . . . 62 SER CA . 11466 1 284 . 1 1 62 62 SER CB C 13 65.78 0.087 . 1 . . . . 62 SER CB . 11466 1 285 . 1 1 62 62 SER N N 15 105.984 0.056 . 1 . . . . 62 SER N . 11466 1 286 . 1 1 63 63 GLY H H 1 7.411 0.004 . 1 . . . . 63 GLY HN . 11466 1 287 . 1 1 63 63 GLY C C 13 177.19 0.011 . 1 . . . . 63 GLY CO . 11466 1 288 . 1 1 63 63 GLY CA C 13 47.942 0.008 . 1 . . . . 63 GLY CA . 11466 1 289 . 1 1 63 63 GLY N N 15 115.05 0.076 . 1 . . . . 63 GLY N . 11466 1 290 . 1 1 64 64 GLY H H 1 8.756 0.005 . 1 . . . . 64 GLY HN . 11466 1 291 . 1 1 64 64 GLY C C 13 175.358 0 . 1 . . . . 64 GLY CO . 11466 1 292 . 1 1 64 64 GLY CA C 13 46.943 0.093 . 1 . . . . 64 GLY CA . 11466 1 293 . 1 1 64 64 GLY N N 15 107.616 0.053 . 1 . . . . 64 GLY N . 11466 1 294 . 1 1 65 65 LEU H H 1 7.968 0.004 . 1 . . . . 65 LEU HN . 11466 1 295 . 1 1 65 65 LEU C C 13 175.377 0 . 1 . . . . 65 LEU CO . 11466 1 296 . 1 1 65 65 LEU CA C 13 55.152 0.017 . 1 . . . . 65 LEU CA . 11466 1 297 . 1 1 65 65 LEU CB C 13 37.646 0.017 . 1 . . . . 65 LEU CB . 11466 1 298 . 1 1 65 65 LEU N N 15 111.253 0.037 . 1 . . . . 65 LEU N . 11466 1 299 . 1 1 66 66 GLN H H 1 7.356 0.006 . 1 . . . . 66 GLN HN . 11466 1 300 . 1 1 66 66 GLN C C 13 176.261 0.001 . 1 . . . . 66 GLN CO . 11466 1 301 . 1 1 66 66 GLN CA C 13 57.967 0.036 . 1 . . . . 66 GLN CA . 11466 1 302 . 1 1 66 66 GLN CB C 13 30.552 0.034 . 1 . . . . 66 GLN CB . 11466 1 303 . 1 1 66 66 GLN N N 15 115.366 0.089 . 1 . . . . 66 GLN N . 11466 1 304 . 1 1 67 67 PHE H H 1 8.005 0.004 . 1 . . . . 67 PHE HN . 11466 1 305 . 1 1 67 67 PHE C C 13 174.994 0 . 1 . . . . 67 PHE CO . 11466 1 306 . 1 1 67 67 PHE CB C 13 39.324 0.023 . 1 . . . . 67 PHE CB . 11466 1 307 . 1 1 67 67 PHE N N 15 118.126 0.064 . 1 . . . . 67 PHE N . 11466 1 308 . 1 1 68 68 ILE H H 1 8.787 0.005 . 1 . . . . 68 ILE HN . 11466 1 309 . 1 1 68 68 ILE C C 13 174.588 0.003 . 1 . . . . 68 ILE CO . 11466 1 310 . 1 1 68 68 ILE CA C 13 63.63 0.098 . 1 . . . . 68 ILE CA . 11466 1 311 . 1 1 68 68 ILE CB C 13 39.078 0.055 . 1 . . . . 68 ILE CB . 11466 1 312 . 1 1 68 68 ILE N N 15 127.486 0.088 . 1 . . . . 68 ILE N . 11466 1 313 . 1 1 69 69 GLN H H 1 7.254 0.004 . 1 . . . . 69 GLN HN . 11466 1 314 . 1 1 69 69 GLN C C 13 173.265 0.007 . 1 . . . . 69 GLN CO . 11466 1 315 . 1 1 69 69 GLN CA C 13 53.326 0.007 . 1 . . . . 69 GLN CA . 11466 1 316 . 1 1 69 69 GLN CB C 13 32.41 0.005 . 1 . . . . 69 GLN CB . 11466 1 317 . 1 1 69 69 GLN N N 15 112.155 0.063 . 1 . . . . 69 GLN N . 11466 1 318 . 1 1 70 70 GLU H H 1 8.219 0.004 . 1 . . . . 70 GLU HN . 11466 1 319 . 1 1 70 70 GLU C C 13 174.833 0.008 . 1 . . . . 70 GLU CO . 11466 1 320 . 1 1 70 70 GLU CA C 13 57.112 0 . 1 . . . . 70 GLU CA . 11466 1 321 . 1 1 70 70 GLU CB C 13 30.672 0.057 . 1 . . . . 70 GLU CB . 11466 1 322 . 1 1 70 70 GLU N N 15 123.736 0.074 . 1 . . . . 70 GLU N . 11466 1 323 . 1 1 71 71 GLN H H 1 8.399 0.003 . 1 . . . . 71 GLN HN . 11466 1 324 . 1 1 71 71 GLN C C 13 175.519 0.016 . 1 . . . . 71 GLN CO . 11466 1 325 . 1 1 71 71 GLN CA C 13 55.635 0.029 . 1 . . . . 71 GLN CA . 11466 1 326 . 1 1 71 71 GLN CB C 13 29.382 0.017 . 1 . . . . 71 GLN CB . 11466 1 327 . 1 1 71 71 GLN N N 15 124.817 0.092 . 1 . . . . 71 GLN N . 11466 1 328 . 1 1 72 72 ASN H H 1 8.821 0.004 . 1 . . . . 72 ASN HN . 11466 1 329 . 1 1 72 72 ASN C C 13 171.77 0 . 1 . . . . 72 ASN CO . 11466 1 330 . 1 1 72 72 ASN CA C 13 52.499 0 . 1 . . . . 72 ASN CA . 11466 1 331 . 1 1 72 72 ASN CB C 13 38.502 0 . 1 . . . . 72 ASN CB . 11466 1 332 . 1 1 72 72 ASN N N 15 117.632 0.043 . 1 . . . . 72 ASN N . 11466 1 333 . 1 1 73 73 PRO C C 13 178.388 0 . 1 . . . . 73 PRO CO . 11466 1 334 . 1 1 73 73 PRO CA C 13 63.226 0 . 1 . . . . 73 PRO CA . 11466 1 335 . 1 1 73 73 PRO CB C 13 31.944 0 . 1 . . . . 73 PRO CB . 11466 1 336 . 1 1 74 74 GLN H H 1 8.959 0.005 . 1 . . . . 74 GLN HN . 11466 1 337 . 1 1 74 74 GLN C C 13 174.526 0.006 . 1 . . . . 74 GLN CO . 11466 1 338 . 1 1 74 74 GLN CA C 13 54.912 0.041 . 1 . . . . 74 GLN CA . 11466 1 339 . 1 1 74 74 GLN CB C 13 29.817 0.004 . 1 . . . . 74 GLN CB . 11466 1 340 . 1 1 74 74 GLN N N 15 120.303 0.048 . 1 . . . . 74 GLN N . 11466 1 341 . 1 1 75 75 SER H H 1 7.239 0.004 . 1 . . . . 75 SER HN . 11466 1 342 . 1 1 75 75 SER C C 13 172.393 0.023 . 1 . . . . 75 SER CO . 11466 1 343 . 1 1 75 75 SER CA C 13 55.815 0.061 . 1 . . . . 75 SER CA . 11466 1 344 . 1 1 75 75 SER CB C 13 64.063 0.032 . 1 . . . . 75 SER CB . 11466 1 345 . 1 1 75 75 SER N N 15 111.527 0.034 . 1 . . . . 75 SER N . 11466 1 346 . 1 1 76 76 ASP H H 1 8.24 0.003 . 1 . . . . 76 ASP HN . 11466 1 347 . 1 1 76 76 ASP C C 13 176.333 0.067 . 1 . . . . 76 ASP CO . 11466 1 348 . 1 1 76 76 ASP CA C 13 54.521 0.031 . 1 . . . . 76 ASP CA . 11466 1 349 . 1 1 76 76 ASP CB C 13 40.315 0 . 1 . . . . 76 ASP CB . 11466 1 350 . 1 1 76 76 ASP N N 15 118.826 0.069 . 1 . . . . 76 ASP N . 11466 1 351 . 1 1 77 77 TYR H H 1 8.535 0.007 . 1 . . . . 77 TYR HN . 11466 1 352 . 1 1 77 77 TYR C C 13 172.384 0.003 . 1 . . . . 77 TYR CO . 11466 1 353 . 1 1 77 77 TYR CA C 13 58.771 0.033 . 1 . . . . 77 TYR CA . 11466 1 354 . 1 1 77 77 TYR CB C 13 35.814 0.026 . 1 . . . . 77 TYR CB . 11466 1 355 . 1 1 77 77 TYR N N 15 117.405 0.071 . 1 . . . . 77 TYR N . 11466 1 356 . 1 1 78 78 CYS H H 1 8.062 0.006 . 1 . . . . 78 CYS HN . 11466 1 357 . 1 1 78 78 CYS C C 13 174.376 0.005 . 1 . . . . 78 CYS CO . 11466 1 358 . 1 1 78 78 CYS CA C 13 54.662 0.015 . 1 . . . . 78 CYS CA . 11466 1 359 . 1 1 78 78 CYS CB C 13 42.324 0.043 . 1 . . . . 78 CYS CB . 11466 1 360 . 1 1 78 78 CYS N N 15 115.283 0.088 . 1 . . . . 78 CYS N . 11466 1 361 . 1 1 79 79 ASP H H 1 9.779 0.008 . 1 . . . . 79 ASP HN . 11466 1 362 . 1 1 79 79 ASP C C 13 178.047 0.02 . 1 . . . . 79 ASP CO . 11466 1 363 . 1 1 79 79 ASP CA C 13 52.646 0.02 . 1 . . . . 79 ASP CA . 11466 1 364 . 1 1 79 79 ASP CB C 13 40.902 0.081 . 1 . . . . 79 ASP CB . 11466 1 365 . 1 1 79 79 ASP N N 15 129.656 0.077 . 1 . . . . 79 ASP N . 11466 1 366 . 1 1 80 80 THR H H 1 8.757 0.005 . 1 . . . . 80 THR HN . 11466 1 367 . 1 1 80 80 THR C C 13 175.459 0.003 . 1 . . . . 80 THR CO . 11466 1 368 . 1 1 80 80 THR CA C 13 63.331 0.047 . 1 . . . . 80 THR CA . 11466 1 369 . 1 1 80 80 THR CB C 13 68.637 0.016 . 1 . . . . 80 THR CB . 11466 1 370 . 1 1 80 80 THR N N 15 118.628 0.074 . 1 . . . . 80 THR N . 11466 1 371 . 1 1 81 81 SER H H 1 8.695 0.005 . 1 . . . . 81 SER HN . 11466 1 372 . 1 1 81 81 SER C C 13 174.936 0.008 . 1 . . . . 81 SER CO . 11466 1 373 . 1 1 81 81 SER CA C 13 59.818 0.018 . 1 . . . . 81 SER CA . 11466 1 374 . 1 1 81 81 SER CB C 13 63.452 0.027 . 1 . . . . 81 SER CB . 11466 1 375 . 1 1 81 81 SER N N 15 117.954 0.045 . 1 . . . . 81 SER N . 11466 1 376 . 1 1 82 82 SER H H 1 7.052 0.004 . 1 . . . . 82 SER HN . 11466 1 377 . 1 1 82 82 SER C C 13 175.69 0.007 . 1 . . . . 82 SER CO . 11466 1 378 . 1 1 82 82 SER CA C 13 57.294 0.078 . 1 . . . . 82 SER CA . 11466 1 379 . 1 1 82 82 SER CB C 13 62.771 0.019 . 1 . . . . 82 SER CB . 11466 1 380 . 1 1 82 82 SER N N 15 115.919 0.044 . 1 . . . . 82 SER N . 11466 1 381 . 1 1 83 83 THR H H 1 8.086 0.004 . 1 . . . . 83 THR HN . 11466 1 382 . 1 1 83 83 THR C C 13 175.686 0.001 . 1 . . . . 83 THR CO . 11466 1 383 . 1 1 83 83 THR CA C 13 63.27 0.052 . 1 . . . . 83 THR CA . 11466 1 384 . 1 1 83 83 THR CB C 13 68.555 0.055 . 1 . . . . 83 THR CB . 11466 1 385 . 1 1 83 83 THR N N 15 118.86 0.052 . 1 . . . . 83 THR N . 11466 1 386 . 1 1 84 84 GLN H H 1 8.309 0.004 . 1 . . . . 84 GLN HN . 11466 1 387 . 1 1 84 84 GLN C C 13 175.153 0.007 . 1 . . . . 84 GLN CO . 11466 1 388 . 1 1 84 84 GLN CA C 13 57.248 0.032 . 1 . . . . 84 GLN CA . 11466 1 389 . 1 1 84 84 GLN CB C 13 28.706 0.014 . 1 . . . . 84 GLN CB . 11466 1 390 . 1 1 84 84 GLN N N 15 120.694 0.049 . 1 . . . . 84 GLN N . 11466 1 391 . 1 1 85 85 TYR H H 1 7.294 0.004 . 1 . . . . 85 TYR HN . 11466 1 392 . 1 1 85 85 TYR C C 13 170.552 0 . 1 . . . . 85 TYR CO . 11466 1 393 . 1 1 85 85 TYR CA C 13 53.383 0 . 1 . . . . 85 TYR CA . 11466 1 394 . 1 1 85 85 TYR CB C 13 38.287 0 . 1 . . . . 85 TYR CB . 11466 1 395 . 1 1 85 85 TYR N N 15 116.207 0.062 . 1 . . . . 85 TYR N . 11466 1 396 . 1 1 86 86 PRO C C 13 176.354 0.012 . 1 . . . . 86 PRO CO . 11466 1 397 . 1 1 86 86 PRO CA C 13 62.57 0 . 1 . . . . 86 PRO CA . 11466 1 398 . 1 1 86 86 PRO CB C 13 31.399 0 . 1 . . . . 86 PRO CB . 11466 1 399 . 1 1 87 87 CYS H H 1 8.302 0.011 . 1 . . . . 87 CYS HN . 11466 1 400 . 1 1 87 87 CYS C C 13 174.1 0.008 . 1 . . . . 87 CYS CO . 11466 1 401 . 1 1 87 87 CYS CA C 13 55.127 0.018 . 1 . . . . 87 CYS CA . 11466 1 402 . 1 1 87 87 CYS CB C 13 41.621 0.012 . 1 . . . . 87 CYS CB . 11466 1 403 . 1 1 87 87 CYS N N 15 119.35 0.085 . 1 . . . . 87 CYS N . 11466 1 404 . 1 1 88 88 ALA H H 1 8.329 0.005 . 1 . . . . 88 ALA HN . 11466 1 405 . 1 1 88 88 ALA C C 13 177.8 0.005 . 1 . . . . 88 ALA CO . 11466 1 406 . 1 1 88 88 ALA CA C 13 51.519 0.061 . 1 . . . . 88 ALA CA . 11466 1 407 . 1 1 88 88 ALA CB C 13 19.351 0.012 . 1 . . . . 88 ALA CB . 11466 1 408 . 1 1 88 88 ALA N N 15 128.373 0.064 . 1 . . . . 88 ALA N . 11466 1 409 . 1 1 89 89 ALA H H 1 8.706 0.004 . 1 . . . . 89 ALA HN . 11466 1 410 . 1 1 89 89 ALA C C 13 179.197 0.014 . 1 . . . . 89 ALA CO . 11466 1 411 . 1 1 89 89 ALA CA C 13 53.562 0.046 . 1 . . . . 89 ALA CA . 11466 1 412 . 1 1 89 89 ALA CB C 13 17.76 0.064 . 1 . . . . 89 ALA CB . 11466 1 413 . 1 1 89 89 ALA N N 15 127.852 0.05 . 1 . . . . 89 ALA N . 11466 1 414 . 1 1 90 90 GLY H H 1 8.973 0.004 . 1 . . . . 90 GLY HN . 11466 1 415 . 1 1 90 90 GLY C C 13 173.806 0.006 . 1 . . . . 90 GLY CO . 11466 1 416 . 1 1 90 90 GLY CA C 13 45.655 0.014 . 1 . . . . 90 GLY CA . 11466 1 417 . 1 1 90 90 GLY N N 15 111.08 0.056 . 1 . . . . 90 GLY N . 11466 1 418 . 1 1 91 91 LYS H H 1 7.383 0.005 . 1 . . . . 91 LYS HN . 11466 1 419 . 1 1 91 91 LYS C C 13 175.883 0.007 . 1 . . . . 91 LYS CO . 11466 1 420 . 1 1 91 91 LYS CA C 13 52.362 0.088 . 1 . . . . 91 LYS CA . 11466 1 421 . 1 1 91 91 LYS CB C 13 32.268 0.021 . 1 . . . . 91 LYS CB . 11466 1 422 . 1 1 91 91 LYS N N 15 116.902 0.045 . 1 . . . . 91 LYS N . 11466 1 423 . 1 1 92 92 GLN H H 1 8.182 0.006 . 1 . . . . 92 GLN HN . 11466 1 424 . 1 1 92 92 GLN C C 13 175.591 0.005 . 1 . . . . 92 GLN CO . 11466 1 425 . 1 1 92 92 GLN CA C 13 53.816 0.03 . 1 . . . . 92 GLN CA . 11466 1 426 . 1 1 92 92 GLN CB C 13 34.082 0.023 . 1 . . . . 92 GLN CB . 11466 1 427 . 1 1 92 92 GLN N N 15 115.789 0.055 . 1 . . . . 92 GLN N . 11466 1 428 . 1 1 93 93 TYR H H 1 8.617 0.007 . 1 . . . . 93 TYR HN . 11466 1 429 . 1 1 93 93 TYR C C 13 173.276 0 . 1 . . . . 93 TYR CO . 11466 1 430 . 1 1 93 93 TYR CA C 13 57.221 0 . 1 . . . . 93 TYR CA . 11466 1 431 . 1 1 93 93 TYR CB C 13 35.631 0 . 1 . . . . 93 TYR CB . 11466 1 432 . 1 1 93 93 TYR N N 15 123.893 0.059 . 1 . . . . 93 TYR N . 11466 1 433 . 1 1 94 94 TYR C C 13 172.988 0.021 . 1 . . . . 94 TYR CO . 11466 1 434 . 1 1 94 94 TYR CA C 13 54.654 0 . 1 . . . . 94 TYR CA . 11466 1 435 . 1 1 94 94 TYR CB C 13 38.189 0 . 1 . . . . 94 TYR CB . 11466 1 436 . 1 1 95 95 GLY H H 1 8.608 0.006 . 1 . . . . 95 GLY HN . 11466 1 437 . 1 1 95 95 GLY C C 13 174.96 0.06 . 1 . . . . 95 GLY CO . 11466 1 438 . 1 1 95 95 GLY CA C 13 47.236 0.087 . 1 . . . . 95 GLY CA . 11466 1 439 . 1 1 95 95 GLY N N 15 104.473 0.082 . 1 . . . . 95 GLY N . 11466 1 440 . 1 1 96 96 ARG H H 1 7.848 0.01 . 1 . . . . 96 ARG HN . 11466 1 441 . 1 1 96 96 ARG C C 13 177.599 0.034 . 1 . . . . 96 ARG CO . 11466 1 442 . 1 1 96 96 ARG CA C 13 55.108 0 . 1 . . . . 96 ARG CA . 11466 1 443 . 1 1 96 96 ARG CB C 13 37.173 0.027 . 1 . . . . 96 ARG CB . 11466 1 444 . 1 1 96 96 ARG N N 15 119.564 0.043 . 1 . . . . 96 ARG N . 11466 1 445 . 1 1 97 97 GLY H H 1 9.012 0.01 . 1 . . . . 97 GLY HN . 11466 1 446 . 1 1 97 97 GLY C C 13 172.542 0 . 1 . . . . 97 GLY CO . 11466 1 447 . 1 1 97 97 GLY CA C 13 45.587 0 . 1 . . . . 97 GLY CA . 11466 1 448 . 1 1 97 97 GLY N N 15 108.034 0.064 . 1 . . . . 97 GLY N . 11466 1 449 . 1 1 98 98 PRO C C 13 174.277 0 . 1 . . . . 98 PRO CO . 11466 1 450 . 1 1 98 98 PRO CA C 13 65.119 0 . 1 . . . . 98 PRO CA . 11466 1 451 . 1 1 98 98 PRO CB C 13 31.255 0 . 1 . . . . 98 PRO CB . 11466 1 452 . 1 1 99 99 ILE H H 1 7.438 0.006 . 1 . . . . 99 ILE HN . 11466 1 453 . 1 1 99 99 ILE C C 13 175.229 0 . 1 . . . . 99 ILE CO . 11466 1 454 . 1 1 99 99 ILE CA C 13 57.897 0.027 . 1 . . . . 99 ILE CA . 11466 1 455 . 1 1 99 99 ILE CB C 13 41.038 0.014 . 1 . . . . 99 ILE CB . 11466 1 456 . 1 1 99 99 ILE N N 15 108.658 0.048 . 1 . . . . 99 ILE N . 11466 1 457 . 1 1 100 100 GLN H H 1 7.755 0.003 . 1 . . . . 100 GLN HN . 11466 1 458 . 1 1 100 100 GLN C C 13 174.491 0 . 1 . . . . 100 GLN CO . 11466 1 459 . 1 1 100 100 GLN CA C 13 56.203 0.002 . 1 . . . . 100 GLN CA . 11466 1 460 . 1 1 100 100 GLN CB C 13 25.229 0.083 . 1 . . . . 100 GLN CB . 11466 1 461 . 1 1 100 100 GLN N N 15 117.874 0.057 . 1 . . . . 100 GLN N . 11466 1 462 . 1 1 101 101 LEU H H 1 6.947 0.005 . 1 . . . . 101 LEU HN . 11466 1 463 . 1 1 101 101 LEU C C 13 175.311 0.005 . 1 . . . . 101 LEU CO . 11466 1 464 . 1 1 101 101 LEU CA C 13 56.794 0.054 . 1 . . . . 101 LEU CA . 11466 1 465 . 1 1 101 101 LEU CB C 13 42.744 0.025 . 1 . . . . 101 LEU CB . 11466 1 466 . 1 1 101 101 LEU N N 15 122.397 0.055 . 1 . . . . 101 LEU N . 11466 1 467 . 1 1 102 102 SER H H 1 8.674 0.003 . 1 . . . . 102 SER HN . 11466 1 468 . 1 1 102 102 SER C C 13 173.329 0.005 . 1 . . . . 102 SER CO . 11466 1 469 . 1 1 102 102 SER CA C 13 58.123 0.093 . 1 . . . . 102 SER CA . 11466 1 470 . 1 1 102 102 SER CB C 13 66.952 0.012 . 1 . . . . 102 SER CB . 11466 1 471 . 1 1 102 102 SER N N 15 121.032 0.054 . 1 . . . . 102 SER N . 11466 1 472 . 1 1 103 103 TRP H H 1 8.55 0.006 . 1 . . . . 103 TRP HN . 11466 1 473 . 1 1 103 103 TRP C C 13 178.142 0.012 . 1 . . . . 103 TRP CO . 11466 1 474 . 1 1 103 103 TRP CA C 13 60.932 0.041 . 1 . . . . 103 TRP CA . 11466 1 475 . 1 1 103 103 TRP CB C 13 26.594 0.099 . 1 . . . . 103 TRP CB . 11466 1 476 . 1 1 103 103 TRP N N 15 108.709 0.052 . 1 . . . . 103 TRP N . 11466 1 477 . 1 1 104 104 ASN H H 1 9.155 0.006 . 1 . . . . 104 ASN HN . 11466 1 478 . 1 1 104 104 ASN C C 13 175.562 0.002 . 1 . . . . 104 ASN CO . 11466 1 479 . 1 1 104 104 ASN CA C 13 57.495 0.06 . 1 . . . . 104 ASN CA . 11466 1 480 . 1 1 104 104 ASN CB C 13 36.595 0.095 . 1 . . . . 104 ASN CB . 11466 1 481 . 1 1 104 104 ASN N N 15 121.888 0.067 . 1 . . . . 104 ASN N . 11466 1 482 . 1 1 105 105 TYR H H 1 6.57 0.005 . 1 . . . . 105 TYR HN . 11466 1 483 . 1 1 105 105 TYR C C 13 177.066 0.002 . 1 . . . . 105 TYR CO . 11466 1 484 . 1 1 105 105 TYR CA C 13 57.363 0 . 1 . . . . 105 TYR CA . 11466 1 485 . 1 1 105 105 TYR CB C 13 36.79 0 . 1 . . . . 105 TYR CB . 11466 1 486 . 1 1 105 105 TYR N N 15 110.911 0.049 . 1 . . . . 105 TYR N . 11466 1 487 . 1 1 106 106 ASN H H 1 6.687 0.005 . 1 . . . . 106 ASN HN . 11466 1 488 . 1 1 106 106 ASN C C 13 176.384 0.004 . 1 . . . . 106 ASN CO . 11466 1 489 . 1 1 106 106 ASN CA C 13 55.32 0.032 . 1 . . . . 106 ASN CA . 11466 1 490 . 1 1 106 106 ASN CB C 13 37.175 0.038 . 1 . . . . 106 ASN CB . 11466 1 491 . 1 1 106 106 ASN N N 15 122.508 0.037 . 1 . . . . 106 ASN N . 11466 1 492 . 1 1 107 107 TYR H H 1 7.858 0.007 . 1 . . . . 107 TYR HN . 11466 1 493 . 1 1 107 107 TYR C C 13 178.412 0.009 . 1 . . . . 107 TYR CO . 11466 1 494 . 1 1 107 107 TYR CA C 13 62.888 0.039 . 1 . . . . 107 TYR CA . 11466 1 495 . 1 1 107 107 TYR CB C 13 37.243 0.051 . 1 . . . . 107 TYR CB . 11466 1 496 . 1 1 107 107 TYR N N 15 118.388 0.082 . 1 . . . . 107 TYR N . 11466 1 497 . 1 1 108 108 GLY H H 1 8.446 0.007 . 1 . . . . 108 GLY HN . 11466 1 498 . 1 1 108 108 GLY C C 13 174.624 0.007 . 1 . . . . 108 GLY CO . 11466 1 499 . 1 1 108 108 GLY CA C 13 47.458 0.017 . 1 . . . . 108 GLY CA . 11466 1 500 . 1 1 108 108 GLY N N 15 104.013 0.058 . 1 . . . . 108 GLY N . 11466 1 501 . 1 1 109 109 GLU H H 1 6.68 0.003 . 1 . . . . 109 GLU HN . 11466 1 502 . 1 1 109 109 GLU C C 13 177.114 0.019 . 1 . . . . 109 GLU CO . 11466 1 503 . 1 1 109 109 GLU CA C 13 59.515 0.028 . 1 . . . . 109 GLU CA . 11466 1 504 . 1 1 109 109 GLU CB C 13 29.37 0 . 1 . . . . 109 GLU CB . 11466 1 505 . 1 1 109 109 GLU N N 15 125.345 0.075 . 1 . . . . 109 GLU N . 11466 1 506 . 1 1 110 110 ALA H H 1 7.492 0.006 . 1 . . . . 110 ALA HN . 11466 1 507 . 1 1 110 110 ALA C C 13 179.575 0.01 . 1 . . . . 110 ALA CO . 11466 1 508 . 1 1 110 110 ALA CA C 13 54.293 0.097 . 1 . . . . 110 ALA CA . 11466 1 509 . 1 1 110 110 ALA CB C 13 16.083 0.043 . 1 . . . . 110 ALA CB . 11466 1 510 . 1 1 110 110 ALA N N 15 119.886 0.053 . 1 . . . . 110 ALA N . 11466 1 511 . 1 1 111 111 GLY H H 1 8.135 0.005 . 1 . . . . 111 GLY HN . 11466 1 512 . 1 1 111 111 GLY C C 13 176.211 0.001 . 1 . . . . 111 GLY CO . 11466 1 513 . 1 1 111 111 GLY CA C 13 48.131 0.01 . 1 . . . . 111 GLY CA . 11466 1 514 . 1 1 111 111 GLY N N 15 104.39 0.052 . 1 . . . . 111 GLY N . 11466 1 515 . 1 1 112 112 ALA H H 1 7.729 0.005 . 1 . . . . 112 ALA HN . 11466 1 516 . 1 1 112 112 ALA C C 13 180.412 0.008 . 1 . . . . 112 ALA CO . 11466 1 517 . 1 1 112 112 ALA CA C 13 55.095 0.008 . 1 . . . . 112 ALA CA . 11466 1 518 . 1 1 112 112 ALA CB C 13 17.93 0.012 . 1 . . . . 112 ALA CB . 11466 1 519 . 1 1 112 112 ALA N N 15 124.225 0.059 . 1 . . . . 112 ALA N . 11466 1 520 . 1 1 113 113 ASP H H 1 7.815 0.005 . 1 . . . . 113 ASP HN . 11466 1 521 . 1 1 113 113 ASP C C 13 178.575 0.015 . 1 . . . . 113 ASP CO . 11466 1 522 . 1 1 113 113 ASP CA C 13 56.848 0.045 . 1 . . . . 113 ASP CA . 11466 1 523 . 1 1 113 113 ASP CB C 13 40.368 0.019 . 1 . . . . 113 ASP CB . 11466 1 524 . 1 1 113 113 ASP N N 15 118.557 0.056 . 1 . . . . 113 ASP N . 11466 1 525 . 1 1 114 114 LEU H H 1 8.589 0.005 . 1 . . . . 114 LEU HN . 11466 1 526 . 1 1 114 114 LEU C C 13 177.119 0.007 . 1 . . . . 114 LEU CO . 11466 1 527 . 1 1 114 114 LEU CA C 13 55.045 0.031 . 1 . . . . 114 LEU CA . 11466 1 528 . 1 1 114 114 LEU CB C 13 43.118 0.057 . 1 . . . . 114 LEU CB . 11466 1 529 . 1 1 114 114 LEU N N 15 118.011 0.076 . 1 . . . . 114 LEU N . 11466 1 530 . 1 1 115 115 GLY H H 1 7.882 0.006 . 1 . . . . 115 GLY HN . 11466 1 531 . 1 1 115 115 GLY C C 13 174.356 0.035 . 1 . . . . 115 GLY CO . 11466 1 532 . 1 1 115 115 GLY CA C 13 46.546 0.037 . 1 . . . . 115 GLY CA . 11466 1 533 . 1 1 115 115 GLY N N 15 109.704 0.055 . 1 . . . . 115 GLY N . 11466 1 534 . 1 1 116 116 LEU H H 1 8.385 0.005 . 1 . . . . 116 LEU HN . 11466 1 535 . 1 1 116 116 LEU C C 13 176.692 0.026 . 1 . . . . 116 LEU CO . 11466 1 536 . 1 1 116 116 LEU CA C 13 52.545 0.077 . 1 . . . . 116 LEU CA . 11466 1 537 . 1 1 116 116 LEU CB C 13 48.492 0.01 . 1 . . . . 116 LEU CB . 11466 1 538 . 1 1 116 116 LEU N N 15 118.539 0.065 . 1 . . . . 116 LEU N . 11466 1 539 . 1 1 117 117 ASP H H 1 8.855 0.004 . 1 . . . . 117 ASP HN . 11466 1 540 . 1 1 117 117 ASP C C 13 176.743 0 . 1 . . . . 117 ASP CO . 11466 1 541 . 1 1 117 117 ASP CA C 13 52.264 0.03 . 1 . . . . 117 ASP CA . 11466 1 542 . 1 1 117 117 ASP CB C 13 38.618 0.027 . 1 . . . . 117 ASP CB . 11466 1 543 . 1 1 117 117 ASP N N 15 123.464 0.05 . 1 . . . . 117 ASP N . 11466 1 544 . 1 1 118 118 LEU H H 1 7.54 0.005 . 1 . . . . 118 LEU HN . 11466 1 545 . 1 1 118 118 LEU C C 13 176.863 0 . 1 . . . . 118 LEU CO . 11466 1 546 . 1 1 118 118 LEU CA C 13 55.271 0.008 . 1 . . . . 118 LEU CA . 11466 1 547 . 1 1 118 118 LEU CB C 13 41.62 0.015 . 1 . . . . 118 LEU CB . 11466 1 548 . 1 1 118 118 LEU N N 15 119.435 0.074 . 1 . . . . 118 LEU N . 11466 1 549 . 1 1 119 119 LEU H H 1 8.352 0.006 . 1 . . . . 119 LEU HN . 11466 1 550 . 1 1 119 119 LEU C C 13 178.682 0.003 . 1 . . . . 119 LEU CO . 11466 1 551 . 1 1 119 119 LEU CA C 13 57.109 0.091 . 1 . . . . 119 LEU CA . 11466 1 552 . 1 1 119 119 LEU CB C 13 42.294 0.024 . 1 . . . . 119 LEU CB . 11466 1 553 . 1 1 119 119 LEU N N 15 117.082 0.057 . 1 . . . . 119 LEU N . 11466 1 554 . 1 1 120 120 ASN H H 1 7.568 0.005 . 1 . . . . 120 ASN HN . 11466 1 555 . 1 1 120 120 ASN C C 13 174.72 0.006 . 1 . . . . 120 ASN CO . 11466 1 556 . 1 1 120 120 ASN CA C 13 53.964 0.032 . 1 . . . . 120 ASN CA . 11466 1 557 . 1 1 120 120 ASN CB C 13 38.603 0.017 . 1 . . . . 120 ASN CB . 11466 1 558 . 1 1 120 120 ASN N N 15 113.58 0.097 . 1 . . . . 120 ASN N . 11466 1 559 . 1 1 121 121 ASN H H 1 7.402 0.006 . 1 . . . . 121 ASN HN . 11466 1 560 . 1 1 121 121 ASN CA C 13 50.306 0 . 1 . . . . 121 ASN CA . 11466 1 561 . 1 1 121 121 ASN CB C 13 37.868 0 . 1 . . . . 121 ASN CB . 11466 1 562 . 1 1 121 121 ASN N N 15 114.592 0.066 . 1 . . . . 121 ASN N . 11466 1 563 . 1 1 122 122 PRO C C 13 177.271 0.012 . 1 . . . . 122 PRO CO . 11466 1 564 . 1 1 122 122 PRO CA C 13 65.129 0 . 1 . . . . 122 PRO CA . 11466 1 565 . 1 1 122 122 PRO CB C 13 32.038 0 . 1 . . . . 122 PRO CB . 11466 1 566 . 1 1 123 123 ASP H H 1 7.24 0.005 . 1 . . . . 123 ASP HN . 11466 1 567 . 1 1 123 123 ASP CA C 13 56.902 0.035 . 1 . . . . 123 ASP CA . 11466 1 568 . 1 1 123 123 ASP CB C 13 41.156 0.006 . 1 . . . . 123 ASP CB . 11466 1 569 . 1 1 123 123 ASP N N 15 114.064 0.091 . 1 . . . . 123 ASP N . 11466 1 570 . 1 1 124 124 LEU H H 1 7.457 0.012 . 1 . . . . 124 LEU HN . 11466 1 571 . 1 1 124 124 LEU C C 13 178.179 0 . 1 . . . . 124 LEU CO . 11466 1 572 . 1 1 124 124 LEU CA C 13 57.936 0.027 . 1 . . . . 124 LEU CA . 11466 1 573 . 1 1 124 124 LEU CB C 13 42.753 0.009 . 1 . . . . 124 LEU CB . 11466 1 574 . 1 1 124 124 LEU N N 15 120.424 0.055 . 1 . . . . 124 LEU N . 11466 1 575 . 1 1 125 125 VAL H H 1 7.293 0.007 . 1 . . . . 125 VAL HN . 11466 1 576 . 1 1 125 125 VAL C C 13 172.871 0.02 . 1 . . . . 125 VAL CO . 11466 1 577 . 1 1 125 125 VAL CA C 13 65.746 0.087 . 1 . . . . 125 VAL CA . 11466 1 578 . 1 1 125 125 VAL CB C 13 31.737 0.077 . 1 . . . . 125 VAL CB . 11466 1 579 . 1 1 125 125 VAL N N 15 113.362 0.059 . 1 . . . . 125 VAL N . 11466 1 580 . 1 1 126 126 ALA H H 1 6.93 0.007 . 1 . . . . 126 ALA HN . 11466 1 581 . 1 1 126 126 ALA C C 13 175.659 0.038 . 1 . . . . 126 ALA CO . 11466 1 582 . 1 1 126 126 ALA CA C 13 50.953 0.022 . 1 . . . . 126 ALA CA . 11466 1 583 . 1 1 126 126 ALA CB C 13 20.431 0.026 . 1 . . . . 126 ALA CB . 11466 1 584 . 1 1 126 126 ALA N N 15 112.973 0.062 . 1 . . . . 126 ALA N . 11466 1 585 . 1 1 127 127 GLN H H 1 7.273 0.004 . 1 . . . . 127 GLN HN . 11466 1 586 . 1 1 127 127 GLN C C 13 176.038 0.013 . 1 . . . . 127 GLN CO . 11466 1 587 . 1 1 127 127 GLN CA C 13 55.945 0.092 . 1 . . . . 127 GLN CA . 11466 1 588 . 1 1 127 127 GLN CB C 13 30.501 0.078 . 1 . . . . 127 GLN CB . 11466 1 589 . 1 1 127 127 GLN N N 15 114.054 0.096 . 1 . . . . 127 GLN N . 11466 1 590 . 1 1 128 128 ASP H H 1 7.691 0.005 . 1 . . . . 128 ASP HN . 11466 1 591 . 1 1 128 128 ASP C C 13 175.549 0.022 . 1 . . . . 128 ASP CO . 11466 1 592 . 1 1 128 128 ASP CA C 13 52.56 0.017 . 1 . . . . 128 ASP CA . 11466 1 593 . 1 1 128 128 ASP CB C 13 43.248 0.011 . 1 . . . . 128 ASP CB . 11466 1 594 . 1 1 128 128 ASP N N 15 120.568 0.063 . 1 . . . . 128 ASP N . 11466 1 595 . 1 1 129 129 SER H H 1 8.917 0.004 . 1 . . . . 129 SER HN . 11466 1 596 . 1 1 129 129 SER C C 13 176.205 0.011 . 1 . . . . 129 SER CO . 11466 1 597 . 1 1 129 129 SER CA C 13 60.671 0.045 . 1 . . . . 129 SER CA . 11466 1 598 . 1 1 129 129 SER CB C 13 62.221 0.005 . 1 . . . . 129 SER CB . 11466 1 599 . 1 1 129 129 SER N N 15 121.97 0.09 . 1 . . . . 129 SER N . 11466 1 600 . 1 1 130 130 THR H H 1 8.258 0.006 . 1 . . . . 130 THR HN . 11466 1 601 . 1 1 130 130 THR C C 13 177.211 0.001 . 1 . . . . 130 THR CO . 11466 1 602 . 1 1 130 130 THR CA C 13 67.343 0.016 . 1 . . . . 130 THR CA . 11466 1 603 . 1 1 130 130 THR N N 15 119.747 0.043 . 1 . . . . 130 THR N . 11466 1 604 . 1 1 131 131 VAL H H 1 7.981 0.006 . 1 . . . . 131 VAL HN . 11466 1 605 . 1 1 131 131 VAL C C 13 177.963 0.002 . 1 . . . . 131 VAL CO . 11466 1 606 . 1 1 131 131 VAL CA C 13 67.612 0.076 . 1 . . . . 131 VAL CA . 11466 1 607 . 1 1 131 131 VAL CB C 13 30.651 0.027 . 1 . . . . 131 VAL CB . 11466 1 608 . 1 1 131 131 VAL N N 15 124.508 0.046 . 1 . . . . 131 VAL N . 11466 1 609 . 1 1 132 132 ALA H H 1 8.703 0.005 . 1 . . . . 132 ALA HN . 11466 1 610 . 1 1 132 132 ALA C C 13 181.836 0.021 . 1 . . . . 132 ALA CO . 11466 1 611 . 1 1 132 132 ALA CA C 13 56.842 0.053 . 1 . . . . 132 ALA CA . 11466 1 612 . 1 1 132 132 ALA CB C 13 17.835 0.049 . 1 . . . . 132 ALA CB . 11466 1 613 . 1 1 132 132 ALA N N 15 121.899 0.05 . 1 . . . . 132 ALA N . 11466 1 614 . 1 1 133 133 TRP H H 1 8.634 0.005 . 1 . . . . 133 TRP HN . 11466 1 615 . 1 1 133 133 TRP C C 13 179.1 0.027 . 1 . . . . 133 TRP CO . 11466 1 616 . 1 1 133 133 TRP CA C 13 61.054 0.021 . 1 . . . . 133 TRP CA . 11466 1 617 . 1 1 133 133 TRP CB C 13 31.083 0.098 . 1 . . . . 133 TRP CB . 11466 1 618 . 1 1 133 133 TRP N N 15 118.857 0.058 . 1 . . . . 133 TRP N . 11466 1 619 . 1 1 134 134 ARG H H 1 8.898 0.005 . 1 . . . . 134 ARG HN . 11466 1 620 . 1 1 134 134 ARG C C 13 179.065 0.017 . 1 . . . . 134 ARG CO . 11466 1 621 . 1 1 134 134 ARG CA C 13 61.638 0 . 1 . . . . 134 ARG CA . 11466 1 622 . 1 1 134 134 ARG CB C 13 31.087 0.014 . 1 . . . . 134 ARG CB . 11466 1 623 . 1 1 134 134 ARG N N 15 118.999 0.044 . 1 . . . . 134 ARG N . 11466 1 624 . 1 1 135 135 THR H H 1 8.643 0.006 . 1 . . . . 135 THR HN . 11466 1 625 . 1 1 135 135 THR C C 13 175.203 0 . 1 . . . . 135 THR CO . 11466 1 626 . 1 1 135 135 THR CA C 13 66.378 0.063 . 1 . . . . 135 THR CA . 11466 1 627 . 1 1 135 135 THR CB C 13 69.858 0.01 . 1 . . . . 135 THR CB . 11466 1 628 . 1 1 135 135 THR N N 15 108.082 0.068 . 1 . . . . 135 THR N . 11466 1 629 . 1 1 136 136 ALA H H 1 7.332 0.005 . 1 . . . . 136 ALA HN . 11466 1 630 . 1 1 136 136 ALA C C 13 179.185 0.012 . 1 . . . . 136 ALA CO . 11466 1 631 . 1 1 136 136 ALA CA C 13 54.886 0.068 . 1 . . . . 136 ALA CA . 11466 1 632 . 1 1 136 136 ALA CB C 13 19.384 0.004 . 1 . . . . 136 ALA CB . 11466 1 633 . 1 1 136 136 ALA N N 15 124.052 0.052 . 1 . . . . 136 ALA N . 11466 1 634 . 1 1 137 137 LEU H H 1 8.161 0.008 . 1 . . . . 137 LEU HN . 11466 1 635 . 1 1 137 137 LEU C C 13 177.195 0.071 . 1 . . . . 137 LEU CO . 11466 1 636 . 1 1 137 137 LEU CA C 13 57.387 0.019 . 1 . . . . 137 LEU CA . 11466 1 637 . 1 1 137 137 LEU CB C 13 42.328 0.054 . 1 . . . . 137 LEU CB . 11466 1 638 . 1 1 137 137 LEU N N 15 120.416 0.069 . 1 . . . . 137 LEU N . 11466 1 639 . 1 1 138 138 TRP H H 1 9.083 0.005 . 1 . . . . 138 TRP HN . 11466 1 640 . 1 1 138 138 TRP C C 13 176.73 0.002 . 1 . . . . 138 TRP CO . 11466 1 641 . 1 1 138 138 TRP CA C 13 61.894 0.046 . 1 . . . . 138 TRP CA . 11466 1 642 . 1 1 138 138 TRP CB C 13 27.965 0.001 . 1 . . . . 138 TRP CB . 11466 1 643 . 1 1 138 138 TRP N N 15 120.291 0.041 . 1 . . . . 138 TRP N . 11466 1 644 . 1 1 139 139 PHE H H 1 7.913 0.007 . 1 . . . . 139 PHE HN . 11466 1 645 . 1 1 139 139 PHE C C 13 176.412 0.008 . 1 . . . . 139 PHE CO . 11466 1 646 . 1 1 139 139 PHE CA C 13 61.713 0.087 . 1 . . . . 139 PHE CA . 11466 1 647 . 1 1 139 139 PHE CB C 13 40.263 0 . 1 . . . . 139 PHE CB . 11466 1 648 . 1 1 139 139 PHE N N 15 119.865 0.069 . 1 . . . . 139 PHE N . 11466 1 649 . 1 1 140 140 TRP H H 1 8.014 0.005 . 1 . . . . 140 TRP HN . 11466 1 650 . 1 1 140 140 TRP C C 13 177.989 0.006 . 1 . . . . 140 TRP CO . 11466 1 651 . 1 1 140 140 TRP CA C 13 60.703 0.001 . 1 . . . . 140 TRP CA . 11466 1 652 . 1 1 140 140 TRP CB C 13 30.532 0.018 . 1 . . . . 140 TRP CB . 11466 1 653 . 1 1 140 140 TRP N N 15 117.17 0.068 . 1 . . . . 140 TRP N . 11466 1 654 . 1 1 141 141 MET H H 1 8.236 0.006 . 1 . . . . 141 MET HN . 11466 1 655 . 1 1 141 141 MET C C 13 179.474 0.011 . 1 . . . . 141 MET CO . 11466 1 656 . 1 1 141 141 MET CA C 13 55.004 0.026 . 1 . . . . 141 MET CA . 11466 1 657 . 1 1 141 141 MET CB C 13 29.334 0.043 . 1 . . . . 141 MET CB . 11466 1 658 . 1 1 141 141 MET N N 15 114.204 0.086 . 1 . . . . 141 MET N . 11466 1 659 . 1 1 142 142 LYS H H 1 9.293 0.004 . 1 . . . . 142 LYS HN . 11466 1 660 . 1 1 142 142 LYS C C 13 179.103 0.016 . 1 . . . . 142 LYS CO . 11466 1 661 . 1 1 142 142 LYS CA C 13 57.761 0.062 . 1 . . . . 142 LYS CA . 11466 1 662 . 1 1 142 142 LYS CB C 13 31.363 0.016 . 1 . . . . 142 LYS CB . 11466 1 663 . 1 1 142 142 LYS N N 15 124.295 0.04 . 1 . . . . 142 LYS N . 11466 1 664 . 1 1 143 143 ARG H H 1 7.542 0.005 . 1 . . . . 143 ARG HN . 11466 1 665 . 1 1 143 143 ARG C C 13 175.553 0.001 . 1 . . . . 143 ARG CO . 11466 1 666 . 1 1 143 143 ARG CA C 13 54.411 0.043 . 1 . . . . 143 ARG CA . 11466 1 667 . 1 1 143 143 ARG CB C 13 26.934 0.001 . 1 . . . . 143 ARG CB . 11466 1 668 . 1 1 143 143 ARG N N 15 113.416 0.066 . 1 . . . . 143 ARG N . 11466 1 669 . 1 1 144 144 ASP H H 1 7.047 0.006 . 1 . . . . 144 ASP HN . 11466 1 670 . 1 1 144 144 ASP C C 13 178.003 0.01 . 1 . . . . 144 ASP CO . 11466 1 671 . 1 1 144 144 ASP CA C 13 56.042 0.098 . 1 . . . . 144 ASP CA . 11466 1 672 . 1 1 144 144 ASP CB C 13 38.857 0.089 . 1 . . . . 144 ASP CB . 11466 1 673 . 1 1 144 144 ASP N N 15 112.166 0.068 . 1 . . . . 144 ASP N . 11466 1 674 . 1 1 145 145 CYS H H 1 7.414 0.004 . 1 . . . . 145 CYS HN . 11466 1 675 . 1 1 145 145 CYS C C 13 176.387 0.012 . 1 . . . . 145 CYS CO . 11466 1 676 . 1 1 145 145 CYS CA C 13 62.572 0.018 . 1 . . . . 145 CYS CA . 11466 1 677 . 1 1 145 145 CYS CB C 13 24.118 0.014 . 1 . . . . 145 CYS CB . 11466 1 678 . 1 1 145 145 CYS N N 15 118.335 0.047 . 1 . . . . 145 CYS N . 11466 1 679 . 1 1 146 146 HIS H H 1 6.643 0.004 . 1 . . . . 146 HIS HN . 11466 1 680 . 1 1 146 146 HIS C C 13 176.393 0.016 . 1 . . . . 146 HIS CO . 11466 1 681 . 1 1 146 146 HIS CA C 13 58.266 0.06 . 1 . . . . 146 HIS CA . 11466 1 682 . 1 1 146 146 HIS CB C 13 30.398 0.007 . 1 . . . . 146 HIS CB . 11466 1 683 . 1 1 146 146 HIS N N 15 113.886 0.068 . 1 . . . . 146 HIS N . 11466 1 684 . 1 1 147 147 GLY H H 1 7.651 0.006 . 1 . . . . 147 GLY HN . 11466 1 685 . 1 1 147 147 GLY C C 13 174.197 0.008 . 1 . . . . 147 GLY CO . 11466 1 686 . 1 1 147 147 GLY CA C 13 46.474 0.055 . 1 . . . . 147 GLY CA . 11466 1 687 . 1 1 147 147 GLY N N 15 109.626 0.035 . 1 . . . . 147 GLY N . 11466 1 688 . 1 1 148 148 ALA H H 1 6.658 0.004 . 1 . . . . 148 ALA HN . 11466 1 689 . 1 1 148 148 ALA C C 13 179.588 0.016 . 1 . . . . 148 ALA CO . 11466 1 690 . 1 1 148 148 ALA CA C 13 54.589 0.004 . 1 . . . . 148 ALA CA . 11466 1 691 . 1 1 148 148 ALA CB C 13 16.687 0.071 . 1 . . . . 148 ALA CB . 11466 1 692 . 1 1 148 148 ALA N N 15 121.922 0.051 . 1 . . . . 148 ALA N . 11466 1 693 . 1 1 149 149 ILE H H 1 7.453 0.006 . 1 . . . . 149 ILE HN . 11466 1 694 . 1 1 149 149 ILE C C 13 174.147 0 . 1 . . . . 149 ILE CO . 11466 1 695 . 1 1 149 149 ILE CA C 13 58.415 0.008 . 1 . . . . 149 ILE CA . 11466 1 696 . 1 1 149 149 ILE CB C 13 39.26 0.004 . 1 . . . . 149 ILE CB . 11466 1 697 . 1 1 149 149 ILE N N 15 112.957 0.078 . 1 . . . . 149 ILE N . 11466 1 698 . 1 1 150 150 THR H H 1 6.908 0.007 . 1 . . . . 150 THR HN . 11466 1 699 . 1 1 150 150 THR C C 13 172.433 0.008 . 1 . . . . 150 THR CO . 11466 1 700 . 1 1 150 150 THR CA C 13 61.829 0.064 . 1 . . . . 150 THR CA . 11466 1 701 . 1 1 150 150 THR CB C 13 68.788 0.036 . 1 . . . . 150 THR CB . 11466 1 702 . 1 1 150 150 THR N N 15 107.603 0.045 . 1 . . . . 150 THR N . 11466 1 703 . 1 1 151 151 ALA H H 1 6.41 0.004 . 1 . . . . 151 ALA HN . 11466 1 704 . 1 1 151 151 ALA C C 13 174.48 0.002 . 1 . . . . 151 ALA CO . 11466 1 705 . 1 1 151 151 ALA CA C 13 52.095 0.017 . 1 . . . . 151 ALA CA . 11466 1 706 . 1 1 151 151 ALA CB C 13 19.308 0.001 . 1 . . . . 151 ALA CB . 11466 1 707 . 1 1 151 151 ALA N N 15 123.573 0.058 . 1 . . . . 151 ALA N . 11466 1 708 . 1 1 152 152 SER H H 1 7.916 0.004 . 1 . . . . 152 SER HN . 11466 1 709 . 1 1 152 152 SER C C 13 173.296 0 . 1 . . . . 152 SER CO . 11466 1 710 . 1 1 152 152 SER CA C 13 53.143 0 . 1 . . . . 152 SER CA . 11466 1 711 . 1 1 152 152 SER CB C 13 64.21 0 . 1 . . . . 152 SER CB . 11466 1 712 . 1 1 152 152 SER N N 15 111.079 0.066 . 1 . . . . 152 SER N . 11466 1 713 . 1 1 154 154 PRO C C 13 178.094 0.004 . 1 . . . . 154 PRO CO . 11466 1 714 . 1 1 154 154 PRO CA C 13 63.414 0 . 1 . . . . 154 PRO CA . 11466 1 715 . 1 1 154 154 PRO CB C 13 32.184 0 . 1 . . . . 154 PRO CB . 11466 1 716 . 1 1 155 155 SER H H 1 7.806 0.006 . 1 . . . . 155 SER HN . 11466 1 717 . 1 1 155 155 SER C C 13 173.556 0.051 . 1 . . . . 155 SER CO . 11466 1 718 . 1 1 155 155 SER CA C 13 55.252 0.068 . 1 . . . . 155 SER CA . 11466 1 719 . 1 1 155 155 SER CB C 13 63.739 0.016 . 1 . . . . 155 SER CB . 11466 1 720 . 1 1 155 155 SER N N 15 116.301 0.083 . 1 . . . . 155 SER N . 11466 1 721 . 1 1 156 156 PHE H H 1 8.031 0.005 . 1 . . . . 156 PHE HN . 11466 1 722 . 1 1 156 156 PHE C C 13 180.554 0.007 . 1 . . . . 156 PHE CO . 11466 1 723 . 1 1 156 156 PHE CA C 13 62.607 0.037 . 1 . . . . 156 PHE CA . 11466 1 724 . 1 1 156 156 PHE CB C 13 39.112 0.026 . 1 . . . . 156 PHE CB . 11466 1 725 . 1 1 156 156 PHE N N 15 127.543 0.047 . 1 . . . . 156 PHE N . 11466 1 726 . 1 1 157 157 SER H H 1 8.672 0.005 . 1 . . . . 157 SER HN . 11466 1 727 . 1 1 157 157 SER C C 13 176.296 0 . 1 . . . . 157 SER CO . 11466 1 728 . 1 1 157 157 SER CA C 13 61.493 0.005 . 1 . . . . 157 SER CA . 11466 1 729 . 1 1 157 157 SER CB C 13 63.731 0 . 1 . . . . 157 SER CB . 11466 1 730 . 1 1 157 157 SER N N 15 119.088 0.042 . 1 . . . . 157 SER N . 11466 1 731 . 1 1 158 158 GLY H H 1 7.845 0.007 . 1 . . . . 158 GLY HN . 11466 1 732 . 1 1 158 158 GLY C C 13 176.238 0.018 . 1 . . . . 158 GLY CO . 11466 1 733 . 1 1 158 158 GLY CA C 13 46.776 0.01 . 1 . . . . 158 GLY CA . 11466 1 734 . 1 1 158 158 GLY N N 15 109.266 0.046 . 1 . . . . 158 GLY N . 11466 1 735 . 1 1 159 159 THR H H 1 7.376 0.004 . 1 . . . . 159 THR HN . 11466 1 736 . 1 1 159 159 THR C C 13 174.638 0.002 . 1 . . . . 159 THR CO . 11466 1 737 . 1 1 159 159 THR CA C 13 64.74 0.036 . 1 . . . . 159 THR CA . 11466 1 738 . 1 1 159 159 THR CB C 13 67.914 0.008 . 1 . . . . 159 THR CB . 11466 1 739 . 1 1 159 159 THR N N 15 112.94 0.058 . 1 . . . . 159 THR N . 11466 1 740 . 1 1 160 160 ILE H H 1 6.558 0.005 . 1 . . . . 160 ILE HN . 11466 1 741 . 1 1 160 160 ILE C C 13 178.245 0.003 . 1 . . . . 160 ILE CO . 11466 1 742 . 1 1 160 160 ILE CA C 13 65.729 0.039 . 1 . . . . 160 ILE CA . 11466 1 743 . 1 1 160 160 ILE CB C 13 37.372 0.022 . 1 . . . . 160 ILE CB . 11466 1 744 . 1 1 160 160 ILE N N 15 123.156 0.075 . 1 . . . . 160 ILE N . 11466 1 745 . 1 1 161 161 ARG H H 1 7.978 0.005 . 1 . . . . 161 ARG HN . 11466 1 746 . 1 1 161 161 ARG C C 13 179.454 0.006 . 1 . . . . 161 ARG CO . 11466 1 747 . 1 1 161 161 ARG CA C 13 59.374 0.017 . 1 . . . . 161 ARG CA . 11466 1 748 . 1 1 161 161 ARG CB C 13 29.881 0.008 . 1 . . . . 161 ARG CB . 11466 1 749 . 1 1 161 161 ARG N N 15 117.427 0.069 . 1 . . . . 161 ARG N . 11466 1 750 . 1 1 162 162 ILE H H 1 7.317 0.006 . 1 . . . . 162 ILE HN . 11466 1 751 . 1 1 162 162 ILE C C 13 177.493 0.004 . 1 . . . . 162 ILE CO . 11466 1 752 . 1 1 162 162 ILE CA C 13 64.979 0.074 . 1 . . . . 162 ILE CA . 11466 1 753 . 1 1 162 162 ILE CB C 13 38.88 0.095 . 1 . . . . 162 ILE CB . 11466 1 754 . 1 1 162 162 ILE N N 15 119.228 0.047 . 1 . . . . 162 ILE N . 11466 1 755 . 1 1 163 163 ILE H H 1 7.881 0.005 . 1 . . . . 163 ILE HN . 11466 1 756 . 1 1 163 163 ILE C C 13 177.112 0.007 . 1 . . . . 163 ILE CO . 11466 1 757 . 1 1 163 163 ILE CA C 13 65.671 0.084 . 1 . . . . 163 ILE CA . 11466 1 758 . 1 1 163 163 ILE CB C 13 38.647 0.038 . 1 . . . . 163 ILE CB . 11466 1 759 . 1 1 163 163 ILE N N 15 119.362 0.062 . 1 . . . . 163 ILE N . 11466 1 760 . 1 1 164 164 ASN H H 1 8.721 0.006 . 1 . . . . 164 ASN HN . 11466 1 761 . 1 1 164 164 ASN C C 13 176.459 0.007 . 1 . . . . 164 ASN CO . 11466 1 762 . 1 1 164 164 ASN CA C 13 52.216 0.003 . 1 . . . . 164 ASN CA . 11466 1 763 . 1 1 164 164 ASN CB C 13 38.975 0.049 . 1 . . . . 164 ASN CB . 11466 1 764 . 1 1 164 164 ASN N N 15 115.028 0.043 . 1 . . . . 164 ASN N . 11466 1 765 . 1 1 165 165 GLY H H 1 7.837 0.005 . 1 . . . . 165 GLY HN . 11466 1 766 . 1 1 165 165 GLY C C 13 175.559 0.002 . 1 . . . . 165 GLY CO . 11466 1 767 . 1 1 165 165 GLY CA C 13 49.357 0.026 . 1 . . . . 165 GLY CA . 11466 1 768 . 1 1 165 165 GLY N N 15 109.416 0.059 . 1 . . . . 165 GLY N . 11466 1 769 . 1 1 166 166 GLY H H 1 8.714 0.005 . 1 . . . . 166 GLY HN . 11466 1 770 . 1 1 166 166 GLY C C 13 174.784 0.004 . 1 . . . . 166 GLY CO . 11466 1 771 . 1 1 166 166 GLY CA C 13 46.736 0.018 . 1 . . . . 166 GLY CA . 11466 1 772 . 1 1 166 166 GLY N N 15 107.896 0.054 . 1 . . . . 166 GLY N . 11466 1 773 . 1 1 167 167 LEU H H 1 6.953 0.006 . 1 . . . . 167 LEU HN . 11466 1 774 . 1 1 167 167 LEU C C 13 177.582 0.016 . 1 . . . . 167 LEU CO . 11466 1 775 . 1 1 167 167 LEU CA C 13 54.737 0.04 . 1 . . . . 167 LEU CA . 11466 1 776 . 1 1 167 167 LEU CB C 13 43.451 0.011 . 1 . . . . 167 LEU CB . 11466 1 777 . 1 1 167 167 LEU N N 15 117.123 0.069 . 1 . . . . 167 LEU N . 11466 1 778 . 1 1 168 168 GLU H H 1 7.451 0.005 . 1 . . . . 168 GLU HN . 11466 1 779 . 1 1 168 168 GLU C C 13 176.401 0 . 1 . . . . 168 GLU CO . 11466 1 780 . 1 1 168 168 GLU CA C 13 57.641 0.061 . 1 . . . . 168 GLU CA . 11466 1 781 . 1 1 168 168 GLU CB C 13 32.423 0.002 . 1 . . . . 168 GLU CB . 11466 1 782 . 1 1 168 168 GLU N N 15 114.285 0.061 . 1 . . . . 168 GLU N . 11466 1 783 . 1 1 169 169 CYS H H 1 7.998 0.004 . 1 . . . . 169 CYS HN . 11466 1 784 . 1 1 169 169 CYS C C 13 175.83 0.007 . 1 . . . . 169 CYS CO . 11466 1 785 . 1 1 169 169 CYS CA C 13 51.006 0.024 . 1 . . . . 169 CYS CA . 11466 1 786 . 1 1 169 169 CYS CB C 13 36.816 0.006 . 1 . . . . 169 CYS CB . 11466 1 787 . 1 1 169 169 CYS N N 15 113.769 0.036 . 1 . . . . 169 CYS N . 11466 1 788 . 1 1 170 170 ASN H H 1 10.405 0.004 . 1 . . . . 170 ASN HN . 11466 1 789 . 1 1 170 170 ASN C C 13 174.733 0.014 . 1 . . . . 170 ASN CO . 11466 1 790 . 1 1 170 170 ASN CA C 13 54.614 0.032 . 1 . . . . 170 ASN CA . 11466 1 791 . 1 1 170 170 ASN CB C 13 37.343 0.052 . 1 . . . . 170 ASN CB . 11466 1 792 . 1 1 170 170 ASN N N 15 120.313 0.074 . 1 . . . . 170 ASN N . 11466 1 793 . 1 1 171 171 GLN H H 1 8.414 0.004 . 1 . . . . 171 GLN HN . 11466 1 794 . 1 1 171 171 GLN C C 13 173.986 0 . 1 . . . . 171 GLN CO . 11466 1 795 . 1 1 171 171 GLN CA C 13 51.979 0 . 1 . . . . 171 GLN CA . 11466 1 796 . 1 1 171 171 GLN CB C 13 29.134 0 . 1 . . . . 171 GLN CB . 11466 1 797 . 1 1 171 171 GLN N N 15 116.692 0.056 . 1 . . . . 171 GLN N . 11466 1 798 . 1 1 172 172 PRO C C 13 177.61 0.004 . 1 . . . . 172 PRO CO . 11466 1 799 . 1 1 172 172 PRO CA C 13 62.076 0 . 1 . . . . 172 PRO CA . 11466 1 800 . 1 1 172 172 PRO CB C 13 32.075 0 . 1 . . . . 172 PRO CB . 11466 1 801 . 1 1 173 173 ALA H H 1 8.79 0.004 . 1 . . . . 173 ALA HN . 11466 1 802 . 1 1 173 173 ALA C C 13 178.979 0.003 . 1 . . . . 173 ALA CO . 11466 1 803 . 1 1 173 173 ALA CA C 13 53.523 0.041 . 1 . . . . 173 ALA CA . 11466 1 804 . 1 1 173 173 ALA CB C 13 17.561 0.003 . 1 . . . . 173 ALA CB . 11466 1 805 . 1 1 173 173 ALA N N 15 127.241 0.052 . 1 . . . . 173 ALA N . 11466 1 806 . 1 1 174 174 GLY H H 1 8.733 0.005 . 1 . . . . 174 GLY HN . 11466 1 807 . 1 1 174 174 GLY C C 13 173.867 0.007 . 1 . . . . 174 GLY CO . 11466 1 808 . 1 1 174 174 GLY CA C 13 45.333 0.081 . 1 . . . . 174 GLY CA . 11466 1 809 . 1 1 174 174 GLY N N 15 111.699 0.044 . 1 . . . . 174 GLY N . 11466 1 810 . 1 1 175 175 SER H H 1 7.81 0.005 . 1 . . . . 175 SER HN . 11466 1 811 . 1 1 175 175 SER C C 13 174.972 0.006 . 1 . . . . 175 SER CO . 11466 1 812 . 1 1 175 175 SER CA C 13 57.888 0.016 . 1 . . . . 175 SER CA . 11466 1 813 . 1 1 175 175 SER CB C 13 65.637 0.033 . 1 . . . . 175 SER CB . 11466 1 814 . 1 1 175 175 SER N N 15 115.048 0.075 . 1 . . . . 175 SER N . 11466 1 815 . 1 1 176 176 ILE H H 1 8.834 0.004 . 1 . . . . 176 ILE HN . 11466 1 816 . 1 1 176 176 ILE C C 13 178.292 0.007 . 1 . . . . 176 ILE CO . 11466 1 817 . 1 1 176 176 ILE CA C 13 64.203 0.034 . 1 . . . . 176 ILE CA . 11466 1 818 . 1 1 176 176 ILE CB C 13 37.605 0.083 . 1 . . . . 176 ILE CB . 11466 1 819 . 1 1 176 176 ILE N N 15 121.86 0.077 . 1 . . . . 176 ILE N . 11466 1 820 . 1 1 177 177 GLY H H 1 8.865 0.005 . 1 . . . . 177 GLY HN . 11466 1 821 . 1 1 177 177 GLY C C 13 175.102 0.005 . 1 . . . . 177 GLY CO . 11466 1 822 . 1 1 177 177 GLY CA C 13 47.403 0.019 . 1 . . . . 177 GLY CA . 11466 1 823 . 1 1 177 177 GLY N N 15 108.141 0.064 . 1 . . . . 177 GLY N . 11466 1 824 . 1 1 178 178 ASN H H 1 7.146 0.005 . 1 . . . . 178 ASN HN . 11466 1 825 . 1 1 178 178 ASN C C 13 176.205 0.01 . 1 . . . . 178 ASN CO . 11466 1 826 . 1 1 178 178 ASN CA C 13 57.303 0.043 . 1 . . . . 178 ASN CA . 11466 1 827 . 1 1 178 178 ASN CB C 13 41.804 0.083 . 1 . . . . 178 ASN CB . 11466 1 828 . 1 1 178 178 ASN N N 15 118.664 0.059 . 1 . . . . 178 ASN N . 11466 1 829 . 1 1 179 179 MET H H 1 8.257 0.005 . 1 . . . . 179 MET HN . 11466 1 830 . 1 1 179 179 MET C C 13 178.769 0.006 . 1 . . . . 179 MET CO . 11466 1 831 . 1 1 179 179 MET CA C 13 58.714 0.06 . 1 . . . . 179 MET CA . 11466 1 832 . 1 1 179 179 MET CB C 13 31.972 0.087 . 1 . . . . 179 MET CB . 11466 1 833 . 1 1 179 179 MET N N 15 117.257 0.075 . 1 . . . . 179 MET N . 11466 1 834 . 1 1 180 180 GLN H H 1 7.803 0.008 . 1 . . . . 180 GLN HN . 11466 1 835 . 1 1 180 180 GLN C C 13 176.512 0.002 . 1 . . . . 180 GLN CO . 11466 1 836 . 1 1 180 180 GLN CA C 13 59.804 0.01 . 1 . . . . 180 GLN CA . 11466 1 837 . 1 1 180 180 GLN CB C 13 27.376 0.013 . 1 . . . . 180 GLN CB . 11466 1 838 . 1 1 180 180 GLN N N 15 120.07 0.05 . 1 . . . . 180 GLN N . 11466 1 839 . 1 1 181 181 MET H H 1 7.628 0.006 . 1 . . . . 181 MET HN . 11466 1 840 . 1 1 181 181 MET C C 13 178.44 0.003 . 1 . . . . 181 MET CO . 11466 1 841 . 1 1 181 181 MET CA C 13 60.393 0.06 . 1 . . . . 181 MET CA . 11466 1 842 . 1 1 181 181 MET CB C 13 29.113 0.084 . 1 . . . . 181 MET CB . 11466 1 843 . 1 1 181 181 MET N N 15 121.671 0.039 . 1 . . . . 181 MET N . 11466 1 844 . 1 1 182 182 GLU H H 1 8.307 0.005 . 1 . . . . 182 GLU HN . 11466 1 845 . 1 1 182 182 GLU C C 13 179.677 0.001 . 1 . . . . 182 GLU CO . 11466 1 846 . 1 1 182 182 GLU CA C 13 58.488 0.054 . 1 . . . . 182 GLU CA . 11466 1 847 . 1 1 182 182 GLU CB C 13 28.817 0.006 . 1 . . . . 182 GLU CB . 11466 1 848 . 1 1 182 182 GLU N N 15 116.401 0.06 . 1 . . . . 182 GLU N . 11466 1 849 . 1 1 183 183 ASN H H 1 8.106 0.004 . 1 . . . . 183 ASN HN . 11466 1 850 . 1 1 183 183 ASN C C 13 176.284 0.002 . 1 . . . . 183 ASN CO . 11466 1 851 . 1 1 183 183 ASN CA C 13 55.221 0 . 1 . . . . 183 ASN CA . 11466 1 852 . 1 1 183 183 ASN CB C 13 36.974 0.037 . 1 . . . . 183 ASN CB . 11466 1 853 . 1 1 183 183 ASN N N 15 120.114 0.057 . 1 . . . . 183 ASN N . 11466 1 854 . 1 1 184 184 ARG H H 1 7.624 0.006 . 1 . . . . 184 ARG HN . 11466 1 855 . 1 1 184 184 ARG C C 13 177.878 0 . 1 . . . . 184 ARG CO . 11466 1 856 . 1 1 184 184 ARG CA C 13 60.992 0.058 . 1 . . . . 184 ARG CA . 11466 1 857 . 1 1 184 184 ARG CB C 13 29.467 0.058 . 1 . . . . 184 ARG CB . 11466 1 858 . 1 1 184 184 ARG N N 15 117.715 0.082 . 1 . . . . 184 ARG N . 11466 1 859 . 1 1 185 185 VAL H H 1 7.636 0.005 . 1 . . . . 185 VAL HN . 11466 1 860 . 1 1 185 185 VAL C C 13 179.138 0.007 . 1 . . . . 185 VAL CO . 11466 1 861 . 1 1 185 185 VAL CA C 13 67.262 0.029 . 1 . . . . 185 VAL CA . 11466 1 862 . 1 1 185 185 VAL CB C 13 31.629 0.026 . 1 . . . . 185 VAL CB . 11466 1 863 . 1 1 185 185 VAL N N 15 117.541 0.05 . 1 . . . . 185 VAL N . 11466 1 864 . 1 1 186 186 THR H H 1 8.864 0.004 . 1 . . . . 186 THR HN . 11466 1 865 . 1 1 186 186 THR C C 13 175.432 0 . 1 . . . . 186 THR CO . 11466 1 866 . 1 1 186 186 THR CA C 13 67.89 0.033 . 1 . . . . 186 THR CA . 11466 1 867 . 1 1 186 186 THR CB C 13 68.165 0 . 1 . . . . 186 THR CB . 11466 1 868 . 1 1 186 186 THR N N 15 121.731 0.06 . 1 . . . . 186 THR N . 11466 1 869 . 1 1 187 187 TYR H H 1 8.017 0.004 . 1 . . . . 187 TYR HN . 11466 1 870 . 1 1 187 187 TYR C C 13 176.268 0.002 . 1 . . . . 187 TYR CO . 11466 1 871 . 1 1 187 187 TYR CA C 13 57.84 0 . 1 . . . . 187 TYR CA . 11466 1 872 . 1 1 187 187 TYR CB C 13 36.475 0.015 . 1 . . . . 187 TYR CB . 11466 1 873 . 1 1 187 187 TYR N N 15 120.314 0.065 . 1 . . . . 187 TYR N . 11466 1 874 . 1 1 188 188 TYR H H 1 8.316 0.005 . 1 . . . . 188 TYR HN . 11466 1 875 . 1 1 188 188 TYR C C 13 177.963 0.007 . 1 . . . . 188 TYR CO . 11466 1 876 . 1 1 188 188 TYR CA C 13 60.152 0.054 . 1 . . . . 188 TYR CA . 11466 1 877 . 1 1 188 188 TYR CB C 13 39.354 0.055 . 1 . . . . 188 TYR CB . 11466 1 878 . 1 1 188 188 TYR N N 15 117.299 0.071 . 1 . . . . 188 TYR N . 11466 1 879 . 1 1 189 189 THR H H 1 8.443 0.006 . 1 . . . . 189 THR HN . 11466 1 880 . 1 1 189 189 THR C C 13 177.576 0.026 . 1 . . . . 189 THR CO . 11466 1 881 . 1 1 189 189 THR CA C 13 66.756 0.06 . 1 . . . . 189 THR CA . 11466 1 882 . 1 1 189 189 THR CB C 13 68.552 0.01 . 1 . . . . 189 THR CB . 11466 1 883 . 1 1 189 189 THR N N 15 111.607 0.048 . 1 . . . . 189 THR N . 11466 1 884 . 1 1 190 190 GLN H H 1 8.261 0.004 . 1 . . . . 190 GLN HN . 11466 1 885 . 1 1 190 190 GLN C C 13 179.082 0.006 . 1 . . . . 190 GLN CO . 11466 1 886 . 1 1 190 190 GLN CA C 13 59.238 0.055 . 1 . . . . 190 GLN CA . 11466 1 887 . 1 1 190 190 GLN CB C 13 27.577 0.009 . 1 . . . . 190 GLN CB . 11466 1 888 . 1 1 190 190 GLN N N 15 124.189 0.053 . 1 . . . . 190 GLN N . 11466 1 889 . 1 1 191 191 PHE H H 1 8.575 0.005 . 1 . . . . 191 PHE HN . 11466 1 890 . 1 1 191 191 PHE C C 13 179.331 0.018 . 1 . . . . 191 PHE CO . 11466 1 891 . 1 1 191 191 PHE CA C 13 57.079 0.099 . 1 . . . . 191 PHE CA . 11466 1 892 . 1 1 191 191 PHE CB C 13 35.507 0.046 . 1 . . . . 191 PHE CB . 11466 1 893 . 1 1 191 191 PHE N N 15 122.432 0.058 . 1 . . . . 191 PHE N . 11466 1 894 . 1 1 192 192 CYS H H 1 8.477 0.005 . 1 . . . . 192 CYS HN . 11466 1 895 . 1 1 192 192 CYS C C 13 177.253 0.001 . 1 . . . . 192 CYS CO . 11466 1 896 . 1 1 192 192 CYS CA C 13 65.532 0.086 . 1 . . . . 192 CYS CA . 11466 1 897 . 1 1 192 192 CYS CB C 13 25.742 0.055 . 1 . . . . 192 CYS CB . 11466 1 898 . 1 1 192 192 CYS N N 15 118.688 0.066 . 1 . . . . 192 CYS N . 11466 1 899 . 1 1 193 193 GLN H H 1 7.825 0.005 . 1 . . . . 193 GLN HN . 11466 1 900 . 1 1 193 193 GLN C C 13 180.205 0.006 . 1 . . . . 193 GLN CO . 11466 1 901 . 1 1 193 193 GLN CA C 13 59.186 0.062 . 1 . . . . 193 GLN CA . 11466 1 902 . 1 1 193 193 GLN CB C 13 27.373 0.03 . 1 . . . . 193 GLN CB . 11466 1 903 . 1 1 193 193 GLN N N 15 120.053 0.041 . 1 . . . . 193 GLN N . 11466 1 904 . 1 1 194 194 THR H H 1 8.231 0.005 . 1 . . . . 194 THR HN . 11466 1 905 . 1 1 194 194 THR C C 13 176.253 0.024 . 1 . . . . 194 THR CO . 11466 1 906 . 1 1 194 194 THR CA C 13 67.006 0.015 . 1 . . . . 194 THR CA . 11466 1 907 . 1 1 194 194 THR CB C 13 69.191 0.025 . 1 . . . . 194 THR CB . 11466 1 908 . 1 1 194 194 THR N N 15 117.847 0.043 . 1 . . . . 194 THR N . 11466 1 909 . 1 1 195 195 LEU H H 1 7.585 0.006 . 1 . . . . 195 LEU HN . 11466 1 910 . 1 1 195 195 LEU C C 13 175.862 0.006 . 1 . . . . 195 LEU CO . 11466 1 911 . 1 1 195 195 LEU CA C 13 54.801 0.062 . 1 . . . . 195 LEU CA . 11466 1 912 . 1 1 195 195 LEU CB C 13 42.465 0.049 . 1 . . . . 195 LEU CB . 11466 1 913 . 1 1 195 195 LEU N N 15 116.013 0.046 . 1 . . . . 195 LEU N . 11466 1 914 . 1 1 196 196 GLY H H 1 7.978 0.005 . 1 . . . . 196 GLY HN . 11466 1 915 . 1 1 196 196 GLY C C 13 173.825 0.005 . 1 . . . . 196 GLY CO . 11466 1 916 . 1 1 196 196 GLY CA C 13 46.588 0.055 . 1 . . . . 196 GLY CA . 11466 1 917 . 1 1 196 196 GLY N N 15 109.895 0.043 . 1 . . . . 196 GLY N . 11466 1 918 . 1 1 197 197 VAL H H 1 7.817 0.006 . 1 . . . . 197 VAL HN . 11466 1 919 . 1 1 197 197 VAL C C 13 172.428 0.005 . 1 . . . . 197 VAL CO . 11466 1 920 . 1 1 197 197 VAL CA C 13 58.036 0.069 . 1 . . . . 197 VAL CA . 11466 1 921 . 1 1 197 197 VAL CB C 13 35.935 0.018 . 1 . . . . 197 VAL CB . 11466 1 922 . 1 1 197 197 VAL N N 15 118.044 0.094 . 1 . . . . 197 VAL N . 11466 1 923 . 1 1 198 198 ASP H H 1 8.336 0.004 . 1 . . . . 198 ASP HN . 11466 1 924 . 1 1 198 198 ASP C C 13 174.974 0 . 1 . . . . 198 ASP CO . 11466 1 925 . 1 1 198 198 ASP CA C 13 51.545 0 . 1 . . . . 198 ASP CA . 11466 1 926 . 1 1 198 198 ASP N N 15 128.93 0.046 . 1 . . . . 198 ASP N . 11466 1 927 . 1 1 199 199 PRO C C 13 178.44 0.009 . 1 . . . . 199 PRO CO . 11466 1 928 . 1 1 199 199 PRO CA C 13 63.323 0 . 1 . . . . 199 PRO CA . 11466 1 929 . 1 1 199 199 PRO CB C 13 33.609 0 . 1 . . . . 199 PRO CB . 11466 1 930 . 1 1 200 200 GLY H H 1 8.119 0.005 . 1 . . . . 200 GLY HN . 11466 1 931 . 1 1 200 200 GLY C C 13 173.179 0.004 . 1 . . . . 200 GLY CO . 11466 1 932 . 1 1 200 200 GLY CA C 13 43.346 0.004 . 1 . . . . 200 GLY CA . 11466 1 933 . 1 1 200 200 GLY N N 15 107.148 0.052 . 1 . . . . 200 GLY N . 11466 1 934 . 1 1 201 201 THR H H 1 7.748 0.005 . 1 . . . . 201 THR HN . 11466 1 935 . 1 1 201 201 THR C C 13 176.002 0.012 . 1 . . . . 201 THR CO . 11466 1 936 . 1 1 201 201 THR CA C 13 61.58 0.04 . 1 . . . . 201 THR CA . 11466 1 937 . 1 1 201 201 THR CB C 13 69.68 0.032 . 1 . . . . 201 THR CB . 11466 1 938 . 1 1 201 201 THR N N 15 104.602 0.048 . 1 . . . . 201 THR N . 11466 1 939 . 1 1 202 202 ASP H H 1 8.541 0.005 . 1 . . . . 202 ASP HN . 11466 1 940 . 1 1 202 202 ASP C C 13 175.379 0.011 . 1 . . . . 202 ASP CO . 11466 1 941 . 1 1 202 202 ASP CA C 13 52.81 0.019 . 1 . . . . 202 ASP CA . 11466 1 942 . 1 1 202 202 ASP CB C 13 38.882 0.06 . 1 . . . . 202 ASP CB . 11466 1 943 . 1 1 202 202 ASP N N 15 125.805 0.039 . 1 . . . . 202 ASP N . 11466 1 944 . 1 1 203 203 LEU H H 1 7.846 0.006 . 1 . . . . 203 LEU HN . 11466 1 945 . 1 1 203 203 LEU C C 13 174.16 0.014 . 1 . . . . 203 LEU CO . 11466 1 946 . 1 1 203 203 LEU CA C 13 57.086 0.008 . 1 . . . . 203 LEU CA . 11466 1 947 . 1 1 203 203 LEU CB C 13 44.834 0.055 . 1 . . . . 203 LEU CB . 11466 1 948 . 1 1 203 203 LEU N N 15 122.62 0.07 . 1 . . . . 203 LEU N . 11466 1 949 . 1 1 204 204 ARG H H 1 7.706 0.004 . 1 . . . . 204 ARG HN . 11466 1 950 . 1 1 204 204 ARG C C 13 176.222 0.013 . 1 . . . . 204 ARG CO . 11466 1 951 . 1 1 204 204 ARG CA C 13 55.217 0.019 . 1 . . . . 204 ARG CA . 11466 1 952 . 1 1 204 204 ARG CB C 13 32.832 0.017 . 1 . . . . 204 ARG CB . 11466 1 953 . 1 1 204 204 ARG N N 15 111.741 0.048 . 1 . . . . 204 ARG N . 11466 1 954 . 1 1 205 205 CYS H H 1 7.487 0.011 . 1 . . . . 205 CYS HN . 11466 1 955 . 1 1 205 205 CYS C C 13 178.137 0 . 1 . . . . 205 CYS CO . 11466 1 956 . 1 1 205 205 CYS CA C 13 56.746 0 . 1 . . . . 205 CYS CA . 11466 1 957 . 1 1 205 205 CYS CB C 13 47.214 0 . 1 . . . . 205 CYS CB . 11466 1 958 . 1 1 205 205 CYS N N 15 120.255 0.044 . 1 . . . . 205 CYS N . 11466 1 stop_ save_