data_11078 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11078 _Entry.Title ; Solution structure of the TIR domain of human MyD88 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-11 _Entry.Accession_date 2009-09-13 _Entry.Last_release_date 2010-03-12 _Entry.Original_release_date 2010-03-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 H. Ohnishi H. . . 11078 2 H. Tochio H. . . 11078 3 H. Hiroaki H. . . 11078 4 N. Kondo N. . . 11078 5 Z. Kato Z. . . 11078 6 M. Shirakawa M. . . 11078 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Cytoplasm . 11078 'Immune response' . 11078 'IMMUNE SYSTEM' . 11078 'Inflammatory response' . 11078 'signal transduction innate immunity' . 11078 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11078 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 454 11078 '15N chemical shifts' 134 11078 '1H chemical shifts' 850 11078 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 . . 2010-03-12 2009-09-11 original author . 11078 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2Z5V 'BMRB Entry Tracking System' 11078 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 11078 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1073/pnas.0812956106 _Citation.PubMed_ID 19506249 _Citation.Full_citation . _Citation.Title ; Structural basis for the multiple interactions of the MyD88 TIR domain in TLR4 signaling. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Procedings of the National Academy of Sciences' _Citation.Journal_volume 106 _Citation.Journal_issue 25 _Citation.Journal_ASTM PNASA6 _Citation.Journal_ISSN 1091-6490 _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 10260 _Citation.Page_last 10265 _Citation.Year 2009 _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 Hidenori Ohnishi . . . 11078 1 2 Hidehito Tochio . . . 11078 1 3 Zenichiro Kato . . . 11078 1 4 Kenji Orii . E. . 11078 1 5 Ailian Li . . . 11078 1 6 Takeshi Kimura . . . 11078 1 7 Hidekazu Hiroaki . . . 11078 1 8 Naomi Kondo . . . 11078 1 9 Masahiro Shirakawa . . . 11078 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11078 _Assembly.ID 1 _Assembly.Name 'Myeloid differentiation primary response protein MyD88' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'MyD88 TIR domain' 1 $entity A . yes native no no . . . 11078 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11078 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'MyD88 TIR domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TTLDDPLGHMPERFDAFICY CPSDIQFVQEMIRQLEQTNY RLKLCVSDRDVLPGTCVWSI ASELIEKRCRRMVVVVSDDY LQSKECDFQTKFALSLSPGA HQKRLIPIKYKAMKKEFPSI LRFITVCDYTNPCTKSWFWT RLAKALSLP ; _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 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17387.422 _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 15356 . HR2869A . . . . . 100.00 160 100.00 100.00 1.99e-105 . . . . 11078 1 2 no PDB 2JS7 . "Solution Nmr Structure Of Human Myeloid Differentiation Primary Response (Myd88). Northeast Structural Genomics Target Hr2869a" . . . . . 100.00 160 100.00 100.00 1.99e-105 . . . . 11078 1 3 no PDB 2Z5V . "Solution Structure Of The Tir Domain Of Human Myd88" . . . . . 100.00 149 100.00 100.00 2.92e-105 . . . . 11078 1 4 no PDB 4EO7 . "Crystal Structure Of The Tir Domain Of Human Myeloid Differentiation Primary Response Protein 88" . . . . . 93.96 144 99.29 99.29 3.36e-96 . . . . 11078 1 5 no DBJ BAE89833 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 309 100.00 100.00 3.26e-105 . . . . 11078 1 6 no DBJ BAG55247 . "myeloid differentiation primary response gene 88 [Homo sapiens]" . . . . . 100.00 296 100.00 100.00 1.32e-105 . . . . 11078 1 7 no DBJ BAG55248 . "myeloid differentiation primary response gene 88 [Pan troglodytes]" . . . . . 100.00 296 100.00 100.00 1.75e-105 . . . . 11078 1 8 no DBJ BAG55249 . "myeloid differentiation primary response gene 88 [Pan paniscus]" . . . . . 100.00 296 100.00 100.00 2.04e-105 . . . . 11078 1 9 no DBJ BAG55250 . "myeloid differentiation primary response gene 88 [Gorilla gorilla]" . . . . . 100.00 296 100.00 100.00 1.83e-105 . . . . 11078 1 10 no GB AAB49967 . "MyD88 [Homo sapiens]" . . . . . 100.00 296 100.00 100.00 2.28e-105 . . . . 11078 1 11 no GB AAC50954 . "MyD88 [Homo sapiens]" . . . . . 100.00 296 100.00 100.00 1.32e-105 . . . . 11078 1 12 no GB AAH13589 . "Myeloid differentiation primary response gene (88) [Homo sapiens]" . . . . . 100.00 296 100.00 100.00 1.32e-105 . . . . 11078 1 13 no GB AAP36040 . "myeloid differentiation primary response gene (88) [Homo sapiens]" . . . . . 100.00 296 100.00 100.00 1.32e-105 . . . . 11078 1 14 no GB AAP36509 . "Homo sapiens myeloid differentiation primary response gene (88) [synthetic construct]" . . . . . 100.00 297 100.00 100.00 1.38e-105 . . . . 11078 1 15 no REF NP_001123935 . "myeloid differentiation primary response protein MyD88 [Pan troglodytes]" . . . . . 100.00 296 100.00 100.00 1.75e-105 . . . . 11078 1 16 no REF NP_001124153 . "myeloid differentiation primary response protein MyD88 [Macaca mulatta]" . . . . . 100.00 296 100.00 100.00 2.33e-105 . . . . 11078 1 17 no REF NP_001166039 . "myeloid differentiation primary response protein MyD88 isoform 3 [Homo sapiens]" . . . . . 98.66 264 97.28 97.96 2.15e-100 . . . . 11078 1 18 no REF NP_001266118 . "myeloid differentiation primary response protein MyD88 [Pan paniscus]" . . . . . 100.00 296 100.00 100.00 2.04e-105 . . . . 11078 1 19 no REF NP_001266529 . "myeloid differentiation primary response 88 [Gorilla gorilla]" . . . . . 100.00 296 100.00 100.00 1.83e-105 . . . . 11078 1 20 no SP B3Y678 . "RecName: Full=Myeloid differentiation primary response protein MyD88" . . . . . 100.00 296 100.00 100.00 1.75e-105 . . . . 11078 1 21 no SP B3Y679 . "RecName: Full=Myeloid differentiation primary response protein MyD88 [Pan paniscus]" . . . . . 100.00 296 100.00 100.00 2.04e-105 . . . . 11078 1 22 no SP B3Y680 . "RecName: Full=Myeloid differentiation primary response protein MyD88" . . . . . 100.00 296 100.00 100.00 1.83e-105 . . . . 11078 1 23 no SP B3Y681 . "RecName: Full=Myeloid differentiation primary response protein MyD88" . . . . . 100.00 296 100.00 100.00 1.83e-105 . . . . 11078 1 24 no SP B3Y682 . "RecName: Full=Myeloid differentiation primary response protein MyD88 [Macaca fascicularis]" . . . . . 100.00 296 100.00 100.00 2.33e-105 . . . . 11078 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 1 148 THR . 11078 1 2 149 THR . 11078 1 3 150 LEU . 11078 1 4 151 ASP . 11078 1 5 152 ASP . 11078 1 6 153 PRO . 11078 1 7 154 LEU . 11078 1 8 155 GLY . 11078 1 9 156 HIS . 11078 1 10 157 MET . 11078 1 11 158 PRO . 11078 1 12 159 GLU . 11078 1 13 160 ARG . 11078 1 14 161 PHE . 11078 1 15 162 ASP . 11078 1 16 163 ALA . 11078 1 17 164 PHE . 11078 1 18 165 ILE . 11078 1 19 166 CYS . 11078 1 20 167 TYR . 11078 1 21 168 CYS . 11078 1 22 169 PRO . 11078 1 23 170 SER . 11078 1 24 171 ASP . 11078 1 25 172 ILE . 11078 1 26 173 GLN . 11078 1 27 174 PHE . 11078 1 28 175 VAL . 11078 1 29 176 GLN . 11078 1 30 177 GLU . 11078 1 31 178 MET . 11078 1 32 179 ILE . 11078 1 33 180 ARG . 11078 1 34 181 GLN . 11078 1 35 182 LEU . 11078 1 36 183 GLU . 11078 1 37 184 GLN . 11078 1 38 185 THR . 11078 1 39 186 ASN . 11078 1 40 187 TYR . 11078 1 41 188 ARG . 11078 1 42 189 LEU . 11078 1 43 190 LYS . 11078 1 44 191 LEU . 11078 1 45 192 CYS . 11078 1 46 193 VAL . 11078 1 47 194 SER . 11078 1 48 195 ASP . 11078 1 49 196 ARG . 11078 1 50 197 ASP . 11078 1 51 198 VAL . 11078 1 52 199 LEU . 11078 1 53 200 PRO . 11078 1 54 201 GLY . 11078 1 55 202 THR . 11078 1 56 203 CYS . 11078 1 57 204 VAL . 11078 1 58 205 TRP . 11078 1 59 206 SER . 11078 1 60 207 ILE . 11078 1 61 208 ALA . 11078 1 62 209 SER . 11078 1 63 210 GLU . 11078 1 64 211 LEU . 11078 1 65 212 ILE . 11078 1 66 213 GLU . 11078 1 67 214 LYS . 11078 1 68 215 ARG . 11078 1 69 216 CYS . 11078 1 70 217 ARG . 11078 1 71 218 ARG . 11078 1 72 219 MET . 11078 1 73 220 VAL . 11078 1 74 221 VAL . 11078 1 75 222 VAL . 11078 1 76 223 VAL . 11078 1 77 224 SER . 11078 1 78 225 ASP . 11078 1 79 226 ASP . 11078 1 80 227 TYR . 11078 1 81 228 LEU . 11078 1 82 229 GLN . 11078 1 83 230 SER . 11078 1 84 231 LYS . 11078 1 85 232 GLU . 11078 1 86 233 CYS . 11078 1 87 234 ASP . 11078 1 88 235 PHE . 11078 1 89 236 GLN . 11078 1 90 237 THR . 11078 1 91 238 LYS . 11078 1 92 239 PHE . 11078 1 93 240 ALA . 11078 1 94 241 LEU . 11078 1 95 242 SER . 11078 1 96 243 LEU . 11078 1 97 244 SER . 11078 1 98 245 PRO . 11078 1 99 246 GLY . 11078 1 100 247 ALA . 11078 1 101 248 HIS . 11078 1 102 249 GLN . 11078 1 103 250 LYS . 11078 1 104 251 ARG . 11078 1 105 252 LEU . 11078 1 106 253 ILE . 11078 1 107 254 PRO . 11078 1 108 255 ILE . 11078 1 109 256 LYS . 11078 1 110 257 TYR . 11078 1 111 258 LYS . 11078 1 112 259 ALA . 11078 1 113 260 MET . 11078 1 114 261 LYS . 11078 1 115 262 LYS . 11078 1 116 263 GLU . 11078 1 117 264 PHE . 11078 1 118 265 PRO . 11078 1 119 266 SER . 11078 1 120 267 ILE . 11078 1 121 268 LEU . 11078 1 122 269 ARG . 11078 1 123 270 PHE . 11078 1 124 271 ILE . 11078 1 125 272 THR . 11078 1 126 273 VAL . 11078 1 127 274 CYS . 11078 1 128 275 ASP . 11078 1 129 276 TYR . 11078 1 130 277 THR . 11078 1 131 278 ASN . 11078 1 132 279 PRO . 11078 1 133 280 CYS . 11078 1 134 281 THR . 11078 1 135 282 LYS . 11078 1 136 283 SER . 11078 1 137 284 TRP . 11078 1 138 285 PHE . 11078 1 139 286 TRP . 11078 1 140 287 THR . 11078 1 141 288 ARG . 11078 1 142 289 LEU . 11078 1 143 290 ALA . 11078 1 144 291 LYS . 11078 1 145 292 ALA . 11078 1 146 293 LEU . 11078 1 147 294 SER . 11078 1 148 295 LEU . 11078 1 149 296 PRO . 11078 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 . THR 1 1 11078 1 . THR 2 2 11078 1 . LEU 3 3 11078 1 . ASP 4 4 11078 1 . ASP 5 5 11078 1 . PRO 6 6 11078 1 . LEU 7 7 11078 1 . GLY 8 8 11078 1 . HIS 9 9 11078 1 . MET 10 10 11078 1 . PRO 11 11 11078 1 . GLU 12 12 11078 1 . ARG 13 13 11078 1 . PHE 14 14 11078 1 . ASP 15 15 11078 1 . ALA 16 16 11078 1 . PHE 17 17 11078 1 . ILE 18 18 11078 1 . CYS 19 19 11078 1 . TYR 20 20 11078 1 . CYS 21 21 11078 1 . PRO 22 22 11078 1 . SER 23 23 11078 1 . ASP 24 24 11078 1 . ILE 25 25 11078 1 . GLN 26 26 11078 1 . PHE 27 27 11078 1 . VAL 28 28 11078 1 . GLN 29 29 11078 1 . GLU 30 30 11078 1 . MET 31 31 11078 1 . ILE 32 32 11078 1 . ARG 33 33 11078 1 . GLN 34 34 11078 1 . LEU 35 35 11078 1 . GLU 36 36 11078 1 . GLN 37 37 11078 1 . THR 38 38 11078 1 . ASN 39 39 11078 1 . TYR 40 40 11078 1 . ARG 41 41 11078 1 . LEU 42 42 11078 1 . LYS 43 43 11078 1 . LEU 44 44 11078 1 . CYS 45 45 11078 1 . VAL 46 46 11078 1 . SER 47 47 11078 1 . ASP 48 48 11078 1 . ARG 49 49 11078 1 . ASP 50 50 11078 1 . VAL 51 51 11078 1 . LEU 52 52 11078 1 . PRO 53 53 11078 1 . GLY 54 54 11078 1 . THR 55 55 11078 1 . CYS 56 56 11078 1 . VAL 57 57 11078 1 . TRP 58 58 11078 1 . SER 59 59 11078 1 . ILE 60 60 11078 1 . ALA 61 61 11078 1 . SER 62 62 11078 1 . GLU 63 63 11078 1 . LEU 64 64 11078 1 . ILE 65 65 11078 1 . GLU 66 66 11078 1 . LYS 67 67 11078 1 . ARG 68 68 11078 1 . CYS 69 69 11078 1 . ARG 70 70 11078 1 . ARG 71 71 11078 1 . MET 72 72 11078 1 . VAL 73 73 11078 1 . VAL 74 74 11078 1 . VAL 75 75 11078 1 . VAL 76 76 11078 1 . SER 77 77 11078 1 . ASP 78 78 11078 1 . ASP 79 79 11078 1 . TYR 80 80 11078 1 . LEU 81 81 11078 1 . GLN 82 82 11078 1 . SER 83 83 11078 1 . LYS 84 84 11078 1 . GLU 85 85 11078 1 . CYS 86 86 11078 1 . ASP 87 87 11078 1 . PHE 88 88 11078 1 . GLN 89 89 11078 1 . THR 90 90 11078 1 . LYS 91 91 11078 1 . PHE 92 92 11078 1 . ALA 93 93 11078 1 . LEU 94 94 11078 1 . SER 95 95 11078 1 . LEU 96 96 11078 1 . SER 97 97 11078 1 . PRO 98 98 11078 1 . GLY 99 99 11078 1 . ALA 100 100 11078 1 . HIS 101 101 11078 1 . GLN 102 102 11078 1 . LYS 103 103 11078 1 . ARG 104 104 11078 1 . LEU 105 105 11078 1 . ILE 106 106 11078 1 . PRO 107 107 11078 1 . ILE 108 108 11078 1 . LYS 109 109 11078 1 . TYR 110 110 11078 1 . LYS 111 111 11078 1 . ALA 112 112 11078 1 . MET 113 113 11078 1 . LYS 114 114 11078 1 . LYS 115 115 11078 1 . GLU 116 116 11078 1 . PHE 117 117 11078 1 . PRO 118 118 11078 1 . SER 119 119 11078 1 . ILE 120 120 11078 1 . LEU 121 121 11078 1 . ARG 122 122 11078 1 . PHE 123 123 11078 1 . ILE 124 124 11078 1 . THR 125 125 11078 1 . VAL 126 126 11078 1 . CYS 127 127 11078 1 . ASP 128 128 11078 1 . TYR 129 129 11078 1 . THR 130 130 11078 1 . ASN 131 131 11078 1 . PRO 132 132 11078 1 . CYS 133 133 11078 1 . THR 134 134 11078 1 . LYS 135 135 11078 1 . SER 136 136 11078 1 . TRP 137 137 11078 1 . PHE 138 138 11078 1 . TRP 139 139 11078 1 . THR 140 140 11078 1 . ARG 141 141 11078 1 . LEU 142 142 11078 1 . ALA 143 143 11078 1 . LYS 144 144 11078 1 . ALA 145 145 11078 1 . LEU 146 146 11078 1 . SER 147 147 11078 1 . LEU 148 148 11078 1 . PRO 149 149 11078 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 11078 _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 $entity . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . MYD88 . . . . 11078 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 11078 _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 $entity . 'recombinant technology' 'Escherichia coli' 'E. coli' . 469008 Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pGEX-5X-3 . . . . . . 11078 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11078 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MyD88 TIR domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.3 . . mM . . . . 11078 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 11078 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 11078 1 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 11078 1 5 L-arginine 'natural abundance' . . . . . . 50 . . mM . . . . 11078 1 6 L-glutamate 'natural abundance' . . . . . . 50 . . mM . . . . 11078 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 11078 1 8 D2O 'natural abundance' . . . . . . 5 . . % . . . . 11078 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11078 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MyD88 TIR domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.2 . . mM . . . . 11078 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 11078 2 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 11078 2 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 11078 2 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 11078 2 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 11078 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11078 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 11078 1 pH 6.0 . pH 11078 1 pressure 1 . atm 11078 1 temperature 298 . K 11078 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 11078 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 11078 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11078 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11078 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11078 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11078 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11078 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11078 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 11078 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11078 _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 . 800 . . . 11078 1 2 spectrometer_2 Bruker DRX . 500 . . . 11078 1 3 spectrometer_3 Varian INOVA . 900 . . . 11078 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 11078 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11078 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11078 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11078 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11078 1 5 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11078 1 6 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11078 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11078 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11078 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11078 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11078 1 11 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11078 1 12 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11078 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 11078 _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 . . . . . . . . . 11078 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . . . . . 11078 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11078 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 11078 _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' 2 $sample_2 isotropic 11078 1 3 '3D CBCA(CO)NH' 2 $sample_2 isotropic 11078 1 4 '3D HNCACB' 2 $sample_2 isotropic 11078 1 5 '3D HNCA' 2 $sample_2 isotropic 11078 1 6 '3D HN(CO)CA' 2 $sample_2 isotropic 11078 1 8 '3D HCCH-TOCSY' 1 $sample_1 isotropic 11078 1 9 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11078 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 THR HA H 1 3.947 0.009 . 1 . . . . 148 T HA . 11078 1 2 . 1 1 1 1 THR HB H 1 4.157 0.006 . 1 . . . . 148 T HB . 11078 1 3 . 1 1 1 1 THR HG21 H 1 1.254 0.007 . 1 . . . . 148 T QG2 . 11078 1 4 . 1 1 1 1 THR HG22 H 1 1.254 0.007 . 1 . . . . 148 T QG2 . 11078 1 5 . 1 1 1 1 THR HG23 H 1 1.254 0.007 . 1 . . . . 148 T QG2 . 11078 1 6 . 1 1 1 1 THR CA C 13 61.382 0.126 . 1 . . . . 148 T CA . 11078 1 7 . 1 1 1 1 THR CB C 13 69.260 0.176 . 1 . . . . 148 T CB . 11078 1 8 . 1 1 1 1 THR CG2 C 13 21.367 0.099 . 1 . . . . 148 T CG2 . 11078 1 9 . 1 1 2 2 THR H H 1 8.741 0.011 . 1 . . . . 149 T HN . 11078 1 10 . 1 1 2 2 THR HA H 1 4.351 0.008 . 1 . . . . 149 T HA . 11078 1 11 . 1 1 2 2 THR HB H 1 4.163 0.008 . 1 . . . . 149 T HB . 11078 1 12 . 1 1 2 2 THR HG21 H 1 1.175 0.006 . 1 . . . . 149 T QG2 . 11078 1 13 . 1 1 2 2 THR HG22 H 1 1.175 0.006 . 1 . . . . 149 T QG2 . 11078 1 14 . 1 1 2 2 THR HG23 H 1 1.175 0.006 . 1 . . . . 149 T QG2 . 11078 1 15 . 1 1 2 2 THR CA C 13 62.093 0.079 . 1 . . . . 149 T CA . 11078 1 16 . 1 1 2 2 THR CB C 13 70.004 0.223 . 1 . . . . 149 T CB . 11078 1 17 . 1 1 2 2 THR CG2 C 13 21.758 0.095 . 1 . . . . 149 T CG2 . 11078 1 18 . 1 1 2 2 THR N N 15 118.631 0.076 . 1 . . . . 149 T N . 11078 1 19 . 1 1 3 3 LEU H H 1 8.409 0.012 . 1 . . . . 150 L HN . 11078 1 20 . 1 1 3 3 LEU HA H 1 4.282 0.008 . 1 . . . . 150 L HA . 11078 1 21 . 1 1 3 3 LEU HB2 H 1 1.545 0.008 . 2 . . . . 150 L QB . 11078 1 22 . 1 1 3 3 LEU HG H 1 1.556 0.007 . 1 . . . . 150 L HG . 11078 1 23 . 1 1 3 3 LEU CA C 13 55.311 0.053 . 1 . . . . 150 L CA . 11078 1 24 . 1 1 3 3 LEU CB C 13 42.297 0.056 . 1 . . . . 150 L CB . 11078 1 25 . 1 1 3 3 LEU CD1 C 13 24.858 0.089 . 2 . . . . 150 L CD1 . 11078 1 26 . 1 1 3 3 LEU CD2 C 13 23.439 0.032 . 2 . . . . 150 L CD2 . 11078 1 27 . 1 1 3 3 LEU CG C 13 27.018 0.028 . 1 . . . . 150 L CG . 11078 1 28 . 1 1 3 3 LEU N N 15 124.612 0.100 . 1 . . . . 150 L N . 11078 1 29 . 1 1 4 4 ASP H H 1 8.211 0.011 . 1 . . . . 151 D HN . 11078 1 30 . 1 1 4 4 ASP HA H 1 4.513 0.008 . 1 . . . . 151 D HA . 11078 1 31 . 1 1 4 4 ASP CA C 13 54.190 0.078 . 1 . . . . 151 D CA . 11078 1 32 . 1 1 4 4 ASP CB C 13 41.204 0.114 . 1 . . . . 151 D CB . 11078 1 33 . 1 1 4 4 ASP N N 15 120.728 0.071 . 1 . . . . 151 D N . 11078 1 34 . 1 1 5 5 ASP H H 1 8.133 0.010 . 1 . . . . 152 D HN . 11078 1 35 . 1 1 5 5 ASP HA H 1 4.795 0.022 . 1 . . . . 152 D HA . 11078 1 36 . 1 1 5 5 ASP HB2 H 1 2.708 0.007 . 2 . . . . 152 D HB2 . 11078 1 37 . 1 1 5 5 ASP HB3 H 1 2.544 0.010 . 2 . . . . 152 D HB3 . 11078 1 38 . 1 1 5 5 ASP CA C 13 52.152 0.064 . 1 . . . . 152 D CA . 11078 1 39 . 1 1 5 5 ASP CB C 13 41.533 0.118 . 1 . . . . 152 D CB . 11078 1 40 . 1 1 5 5 ASP N N 15 121.591 0.053 . 1 . . . . 152 D N . 11078 1 41 . 1 1 6 6 PRO HA H 1 4.288 0.009 . 1 . . . . 153 P HA . 11078 1 42 . 1 1 6 6 PRO HB2 H 1 2.235 0.009 . 2 . . . . 153 P HB2 . 11078 1 43 . 1 1 6 6 PRO HB3 H 1 1.862 0.012 . 2 . . . . 153 P HB3 . 11078 1 44 . 1 1 6 6 PRO HD2 H 1 3.765 0.010 . 2 . . . . 153 P QD . 11078 1 45 . 1 1 6 6 PRO CA C 13 64.220 0.114 . 1 . . . . 153 P CA . 11078 1 46 . 1 1 6 6 PRO CB C 13 31.983 0.094 . 1 . . . . 153 P CB . 11078 1 47 . 1 1 6 6 PRO CD C 13 50.877 0.034 . 1 . . . . 153 P CD . 11078 1 48 . 1 1 6 6 PRO CG C 13 27.215 0.027 . 1 . . . . 153 P CG . 11078 1 49 . 1 1 7 7 LEU H H 1 8.311 0.012 . 1 . . . . 154 L HN . 11078 1 50 . 1 1 7 7 LEU HA H 1 4.283 0.012 . 1 . . . . 154 L HA . 11078 1 51 . 1 1 7 7 LEU HB2 H 1 1.653 0.007 . 2 . . . . 154 L HB2 . 11078 1 52 . 1 1 7 7 LEU HB3 H 1 1.493 0.011 . 2 . . . . 154 L HB3 . 11078 1 53 . 1 1 7 7 LEU HG H 1 1.517 0.010 . 1 . . . . 154 L HG . 11078 1 54 . 1 1 7 7 LEU CA C 13 55.438 0.107 . 1 . . . . 154 L CA . 11078 1 55 . 1 1 7 7 LEU CB C 13 41.391 0.078 . 1 . . . . 154 L CB . 11078 1 56 . 1 1 7 7 LEU CD1 C 13 24.990 0.123 . 2 . . . . 154 L CD1 . 11078 1 57 . 1 1 7 7 LEU CD2 C 13 22.902 0.048 . 2 . . . . 154 L CD2 . 11078 1 58 . 1 1 7 7 LEU CG C 13 27.058 0.075 . 1 . . . . 154 L CG . 11078 1 59 . 1 1 7 7 LEU N N 15 119.103 0.068 . 1 . . . . 154 L N . 11078 1 60 . 1 1 8 8 GLY H H 1 8.049 0.011 . 1 . . . . 155 G HN . 11078 1 61 . 1 1 8 8 GLY CA C 13 45.536 0.088 . 1 . . . . 155 G CA . 11078 1 62 . 1 1 8 8 GLY N N 15 107.683 0.064 . 1 . . . . 155 G N . 11078 1 63 . 1 1 9 9 HIS H H 1 8.200 0.011 . 1 . . . . 156 H HN . 11078 1 64 . 1 1 9 9 HIS HA H 1 4.642 0.009 . 1 . . . . 156 H HA . 11078 1 65 . 1 1 9 9 HIS HB2 H 1 3.200 0.012 . 2 . . . . 156 H HB2 . 11078 1 66 . 1 1 9 9 HIS HB3 H 1 3.109 0.009 . 2 . . . . 156 H HB3 . 11078 1 67 . 1 1 9 9 HIS CA C 13 54.905 0.084 . 1 . . . . 156 H CA . 11078 1 68 . 1 1 9 9 HIS CB C 13 29.345 0.180 . 1 . . . . 156 H CB . 11078 1 69 . 1 1 9 9 HIS N N 15 117.835 0.044 . 1 . . . . 156 H N . 11078 1 70 . 1 1 10 10 MET H H 1 8.413 0.011 . 1 . . . . 157 M HN . 11078 1 71 . 1 1 10 10 MET HA H 1 3.697 0.012 . 1 . . . . 157 M HA . 11078 1 72 . 1 1 10 10 MET HE1 H 1 2.237 0.006 . 1 . . . . 157 M QE . 11078 1 73 . 1 1 10 10 MET HE2 H 1 2.237 0.006 . 1 . . . . 157 M QE . 11078 1 74 . 1 1 10 10 MET HE3 H 1 2.237 0.006 . 1 . . . . 157 M QE . 11078 1 75 . 1 1 10 10 MET HG2 H 1 2.466 0.008 . 2 . . . . 157 M HG2 . 11078 1 76 . 1 1 10 10 MET HG3 H 1 2.232 0.010 . 2 . . . . 157 M HG3 . 11078 1 77 . 1 1 10 10 MET CA C 13 53.746 0.087 . 1 . . . . 157 M CA . 11078 1 78 . 1 1 10 10 MET CB C 13 33.043 0.068 . 1 . . . . 157 M CB . 11078 1 79 . 1 1 10 10 MET CE C 13 17.453 0.037 . 1 . . . . 157 M CE . 11078 1 80 . 1 1 10 10 MET CG C 13 31.351 0.085 . 1 . . . . 157 M CG . 11078 1 81 . 1 1 10 10 MET N N 15 124.217 0.114 . 1 . . . . 157 M N . 11078 1 82 . 1 1 11 11 PRO HA H 1 3.950 0.008 . 1 . . . . 158 P HA . 11078 1 83 . 1 1 11 11 PRO HD2 H 1 2.724 0.012 . 2 . . . . 158 P HD2 . 11078 1 84 . 1 1 11 11 PRO HD3 H 1 2.071 0.008 . 2 . . . . 158 P HD3 . 11078 1 85 . 1 1 11 11 PRO HG2 H 1 1.089 0.007 . 2 . . . . 158 P HG2 . 11078 1 86 . 1 1 11 11 PRO HG3 H 1 0.477 0.010 . 2 . . . . 158 P HG3 . 11078 1 87 . 1 1 11 11 PRO CA C 13 62.413 0.094 . 1 . . . . 158 P CA . 11078 1 88 . 1 1 11 11 PRO CB C 13 31.430 0.034 . 1 . . . . 158 P CB . 11078 1 89 . 1 1 11 11 PRO CD C 13 49.672 0.069 . 1 . . . . 158 P CD . 11078 1 90 . 1 1 11 11 PRO CG C 13 26.663 0.085 . 1 . . . . 158 P CG . 11078 1 91 . 1 1 12 12 GLU H H 1 8.279 0.015 . 1 . . . . 159 E HN . 11078 1 92 . 1 1 12 12 GLU HA H 1 3.819 0.008 . 1 . . . . 159 E HA . 11078 1 93 . 1 1 12 12 GLU CA C 13 58.135 0.098 . 1 . . . . 159 E CA . 11078 1 94 . 1 1 12 12 GLU CB C 13 30.085 0.104 . 1 . . . . 159 E CB . 11078 1 95 . 1 1 12 12 GLU CG C 13 36.391 0.040 . 1 . . . . 159 E CG . 11078 1 96 . 1 1 12 12 GLU N N 15 119.613 0.068 . 1 . . . . 159 E N . 11078 1 97 . 1 1 13 13 ARG H H 1 7.257 0.016 . 1 . . . . 160 R HN . 11078 1 98 . 1 1 13 13 ARG HA H 1 4.698 0.013 . 1 . . . . 160 R HA . 11078 1 99 . 1 1 13 13 ARG HB2 H 1 1.635 0.012 . 2 . . . . 160 R HB2 . 11078 1 100 . 1 1 13 13 ARG HB3 H 1 1.486 0.010 . 2 . . . . 160 R HB3 . 11078 1 101 . 1 1 13 13 ARG CA C 13 54.219 0.115 . 1 . . . . 160 R CA . 11078 1 102 . 1 1 13 13 ARG CB C 13 33.168 0.095 . 1 . . . . 160 R CB . 11078 1 103 . 1 1 13 13 ARG CD C 13 43.300 0.074 . 1 . . . . 160 R CD . 11078 1 104 . 1 1 13 13 ARG CG C 13 26.958 0.055 . 1 . . . . 160 R CG . 11078 1 105 . 1 1 13 13 ARG N N 15 115.748 0.051 . 1 . . . . 160 R N . 11078 1 106 . 1 1 14 14 PHE H H 1 9.112 0.012 . 1 . . . . 161 F HN . 11078 1 107 . 1 1 14 14 PHE HA H 1 4.424 0.011 . 1 . . . . 161 F HA . 11078 1 108 . 1 1 14 14 PHE HB2 H 1 3.052 0.014 . 2 . . . . 161 F HB2 . 11078 1 109 . 1 1 14 14 PHE HB3 H 1 2.896 0.010 . 2 . . . . 161 F HB3 . 11078 1 110 . 1 1 14 14 PHE HD1 H 1 6.779 0.000 . 3 . . . . 161 F QD . 11078 1 111 . 1 1 14 14 PHE HD2 H 1 6.779 0.000 . 3 . . . . 161 F QD . 11078 1 112 . 1 1 14 14 PHE CA C 13 57.206 0.160 . 1 . . . . 161 F CA . 11078 1 113 . 1 1 14 14 PHE CB C 13 41.567 0.240 . 1 . . . . 161 F CB . 11078 1 114 . 1 1 14 14 PHE N N 15 119.027 0.055 . 1 . . . . 161 F N . 11078 1 115 . 1 1 15 15 ASP H H 1 9.516 0.010 . 1 . . . . 162 D HN . 11078 1 116 . 1 1 15 15 ASP HA H 1 4.591 0.013 . 1 . . . . 162 D HA . 11078 1 117 . 1 1 15 15 ASP HB2 H 1 2.704 0.013 . 2 . . . . 162 D HB2 . 11078 1 118 . 1 1 15 15 ASP HB3 H 1 2.419 0.007 . 2 . . . . 162 D HB3 . 11078 1 119 . 1 1 15 15 ASP CA C 13 58.443 0.178 . 1 . . . . 162 D CA . 11078 1 120 . 1 1 15 15 ASP CB C 13 42.049 0.160 . 1 . . . . 162 D CB . 11078 1 121 . 1 1 15 15 ASP N N 15 122.704 0.122 . 1 . . . . 162 D N . 11078 1 122 . 1 1 16 16 ALA H H 1 7.645 0.012 . 1 . . . . 163 A HN . 11078 1 123 . 1 1 16 16 ALA HA H 1 5.408 0.010 . 1 . . . . 163 A HA . 11078 1 124 . 1 1 16 16 ALA HB1 H 1 1.149 0.010 . 1 . . . . 163 A QB . 11078 1 125 . 1 1 16 16 ALA HB2 H 1 1.149 0.010 . 1 . . . . 163 A QB . 11078 1 126 . 1 1 16 16 ALA HB3 H 1 1.149 0.010 . 1 . . . . 163 A QB . 11078 1 127 . 1 1 16 16 ALA CA C 13 51.822 0.120 . 1 . . . . 163 A CA . 11078 1 128 . 1 1 16 16 ALA CB C 13 22.193 0.104 . 1 . . . . 163 A CB . 11078 1 129 . 1 1 16 16 ALA N N 15 114.560 0.064 . 1 . . . . 163 A N . 11078 1 130 . 1 1 17 17 PHE H H 1 7.865 0.022 . 1 . . . . 164 F HN . 11078 1 131 . 1 1 17 17 PHE HA H 1 5.355 0.012 . 1 . . . . 164 F HA . 11078 1 132 . 1 1 17 17 PHE HB2 H 1 3.545 0.025 . 2 . . . . 164 F HB2 . 11078 1 133 . 1 1 17 17 PHE HB3 H 1 2.237 0.017 . 2 . . . . 164 F HB3 . 11078 1 134 . 1 1 17 17 PHE HD1 H 1 6.959 0.009 . 3 . . . . 164 F QD . 11078 1 135 . 1 1 17 17 PHE HD2 H 1 6.959 0.009 . 3 . . . . 164 F QD . 11078 1 136 . 1 1 17 17 PHE CA C 13 56.006 0.157 . 1 . . . . 164 F CA . 11078 1 137 . 1 1 17 17 PHE CB C 13 41.966 0.106 . 1 . . . . 164 F CB . 11078 1 138 . 1 1 17 17 PHE N N 15 120.858 0.112 . 1 . . . . 164 F N . 11078 1 139 . 1 1 18 18 ILE H H 1 7.933 0.012 . 1 . . . . 165 I HN . 11078 1 140 . 1 1 18 18 ILE HA H 1 4.305 0.010 . 1 . . . . 165 I HA . 11078 1 141 . 1 1 18 18 ILE HB H 1 1.667 0.006 . 1 . . . . 165 I HB . 11078 1 142 . 1 1 18 18 ILE HD11 H 1 0.513 0.006 . 1 . . . . 165 I QD1 . 11078 1 143 . 1 1 18 18 ILE HD12 H 1 0.513 0.006 . 1 . . . . 165 I QD1 . 11078 1 144 . 1 1 18 18 ILE HD13 H 1 0.513 0.006 . 1 . . . . 165 I QD1 . 11078 1 145 . 1 1 18 18 ILE HG12 H 1 1.266 0.012 . 2 . . . . 165 I HG12 . 11078 1 146 . 1 1 18 18 ILE HG13 H 1 0.777 0.010 . 2 . . . . 165 I HG13 . 11078 1 147 . 1 1 18 18 ILE HG21 H 1 0.499 0.009 . 1 . . . . 165 I QG2 . 11078 1 148 . 1 1 18 18 ILE HG22 H 1 0.499 0.009 . 1 . . . . 165 I QG2 . 11078 1 149 . 1 1 18 18 ILE HG23 H 1 0.499 0.009 . 1 . . . . 165 I QG2 . 11078 1 150 . 1 1 18 18 ILE CA C 13 60.455 0.123 . 1 . . . . 165 I CA . 11078 1 151 . 1 1 18 18 ILE CB C 13 37.138 0.159 . 1 . . . . 165 I CB . 11078 1 152 . 1 1 18 18 ILE CD1 C 13 12.872 0.059 . 1 . . . . 165 I CD1 . 11078 1 153 . 1 1 18 18 ILE CG1 C 13 26.670 0.083 . 1 . . . . 165 I CG1 . 11078 1 154 . 1 1 18 18 ILE CG2 C 13 17.957 0.054 . 1 . . . . 165 I CG2 . 11078 1 155 . 1 1 18 18 ILE N N 15 127.321 0.064 . 1 . . . . 165 I N . 11078 1 156 . 1 1 19 19 CYS H H 1 9.348 0.015 . 1 . . . . 166 C HN . 11078 1 157 . 1 1 19 19 CYS HA H 1 4.499 0.010 . 1 . . . . 166 C HA . 11078 1 158 . 1 1 19 19 CYS HB2 H 1 3.121 0.009 . 2 . . . . 166 C HB2 . 11078 1 159 . 1 1 19 19 CYS HB3 H 1 2.834 0.017 . 2 . . . . 166 C HB3 . 11078 1 160 . 1 1 19 19 CYS CA C 13 58.498 0.167 . 1 . . . . 166 C CA . 11078 1 161 . 1 1 19 19 CYS CB C 13 28.348 0.162 . 1 . . . . 166 C CB . 11078 1 162 . 1 1 19 19 CYS N N 15 129.097 0.074 . 1 . . . . 166 C N . 11078 1 163 . 1 1 20 20 TYR H H 1 7.760 0.012 . 1 . . . . 167 Y HN . 11078 1 164 . 1 1 20 20 TYR HA H 1 5.050 0.014 . 1 . . . . 167 Y HA . 11078 1 165 . 1 1 20 20 TYR HB2 H 1 3.006 0.020 . 2 . . . . 167 Y HB2 . 11078 1 166 . 1 1 20 20 TYR HB3 H 1 2.695 0.009 . 2 . . . . 167 Y HB3 . 11078 1 167 . 1 1 20 20 TYR HD1 H 1 6.863 0.012 . 3 . . . . 167 Y QD . 11078 1 168 . 1 1 20 20 TYR HD2 H 1 6.863 0.012 . 3 . . . . 167 Y QD . 11078 1 169 . 1 1 20 20 TYR HE1 H 1 6.484 0.016 . 3 . . . . 167 Y QE . 11078 1 170 . 1 1 20 20 TYR HE2 H 1 6.484 0.016 . 3 . . . . 167 Y QE . 11078 1 171 . 1 1 20 20 TYR CA C 13 54.953 0.174 . 1 . . . . 167 Y CA . 11078 1 172 . 1 1 20 20 TYR CB C 13 40.995 0.061 . 1 . . . . 167 Y CB . 11078 1 173 . 1 1 20 20 TYR CD1 C 13 133.992 0.000 . 3 . . . . 167 Y CD1 . 11078 1 174 . 1 1 20 20 TYR CE1 C 13 117.574 0.032 . 3 . . . . 167 Y CE1 . 11078 1 175 . 1 1 20 20 TYR N N 15 123.717 0.066 . 1 . . . . 167 Y N . 11078 1 176 . 1 1 21 21 CYS H H 1 10.508 0.010 . 1 . . . . 168 C HN . 11078 1 177 . 1 1 21 21 CYS HA H 1 5.187 0.007 . 1 . . . . 168 C HA . 11078 1 178 . 1 1 21 21 CYS CA C 13 53.941 0.083 . 1 . . . . 168 C CA . 11078 1 179 . 1 1 21 21 CYS CB C 13 29.271 0.044 . 1 . . . . 168 C CB . 11078 1 180 . 1 1 21 21 CYS N N 15 121.240 0.104 . 1 . . . . 168 C N . 11078 1 181 . 1 1 22 22 PRO HA H 1 4.250 0.008 . 1 . . . . 169 P HA . 11078 1 182 . 1 1 22 22 PRO HB2 H 1 2.512 0.011 . 2 . . . . 169 P HB2 . 11078 1 183 . 1 1 22 22 PRO HB3 H 1 1.967 0.015 . 2 . . . . 169 P HB3 . 11078 1 184 . 1 1 22 22 PRO CA C 13 66.198 0.066 . 1 . . . . 169 P CA . 11078 1 185 . 1 1 22 22 PRO CB C 13 32.198 0.043 . 1 . . . . 169 P CB . 11078 1 186 . 1 1 22 22 PRO CD C 13 50.912 0.266 . 1 . . . . 169 P CD . 11078 1 187 . 1 1 22 22 PRO CG C 13 27.938 0.132 . 1 . . . . 169 P CG . 11078 1 188 . 1 1 23 23 SER H H 1 7.906 0.009 . 1 . . . . 170 S HN . 11078 1 189 . 1 1 23 23 SER HA H 1 4.364 0.009 . 1 . . . . 170 S HA . 11078 1 190 . 1 1 23 23 SER HB2 H 1 3.914 0.015 . 2 . . . . 170 S HB2 . 11078 1 191 . 1 1 23 23 SER HB3 H 1 3.880 0.012 . 2 . . . . 170 S HB3 . 11078 1 192 . 1 1 23 23 SER CA C 13 61.293 0.136 . 1 . . . . 170 S CA . 11078 1 193 . 1 1 23 23 SER CB C 13 63.440 0.233 . 1 . . . . 170 S CB . 11078 1 194 . 1 1 23 23 SER N N 15 112.319 0.069 . 1 . . . . 170 S N . 11078 1 195 . 1 1 24 24 ASP H H 1 8.431 0.011 . 1 . . . . 171 D HN . 11078 1 196 . 1 1 24 24 ASP HA H 1 5.288 0.013 . 1 . . . . 171 D HA . 11078 1 197 . 1 1 24 24 ASP HB2 H 1 3.202 0.014 . 2 . . . . 171 D HB2 . 11078 1 198 . 1 1 24 24 ASP HB3 H 1 2.893 0.012 . 2 . . . . 171 D HB3 . 11078 1 199 . 1 1 24 24 ASP CA C 13 54.630 0.094 . 1 . . . . 171 D CA . 11078 1 200 . 1 1 24 24 ASP CB C 13 42.011 0.182 . 1 . . . . 171 D CB . 11078 1 201 . 1 1 24 24 ASP N N 15 118.257 0.061 . 1 . . . . 171 D N . 11078 1 202 . 1 1 25 25 ILE H H 1 7.546 0.013 . 1 . . . . 172 I HN . 11078 1 203 . 1 1 25 25 ILE HA H 1 3.676 0.009 . 1 . . . . 172 I HA . 11078 1 204 . 1 1 25 25 ILE HB H 1 2.108 0.010 . 1 . . . . 172 I HB . 11078 1 205 . 1 1 25 25 ILE HD11 H 1 0.968 0.010 . 1 . . . . 172 I QD1 . 11078 1 206 . 1 1 25 25 ILE HD12 H 1 0.968 0.010 . 1 . . . . 172 I QD1 . 11078 1 207 . 1 1 25 25 ILE HD13 H 1 0.968 0.010 . 1 . . . . 172 I QD1 . 11078 1 208 . 1 1 25 25 ILE HG12 H 1 1.403 0.006 . 2 . . . . 172 I HG12 . 11078 1 209 . 1 1 25 25 ILE HG13 H 1 1.164 0.009 . 2 . . . . 172 I HG13 . 11078 1 210 . 1 1 25 25 ILE HG21 H 1 1.040 0.009 . 1 . . . . 172 I QG2 . 11078 1 211 . 1 1 25 25 ILE HG22 H 1 1.040 0.009 . 1 . . . . 172 I QG2 . 11078 1 212 . 1 1 25 25 ILE HG23 H 1 1.040 0.009 . 1 . . . . 172 I QG2 . 11078 1 213 . 1 1 25 25 ILE CA C 13 65.011 0.085 . 1 . . . . 172 I CA . 11078 1 214 . 1 1 25 25 ILE CB C 13 38.845 0.081 . 1 . . . . 172 I CB . 11078 1 215 . 1 1 25 25 ILE CD1 C 13 14.370 0.085 . 1 . . . . 172 I CD1 . 11078 1 216 . 1 1 25 25 ILE CG1 C 13 29.995 0.092 . 1 . . . . 172 I CG1 . 11078 1 217 . 1 1 25 25 ILE CG2 C 13 16.999 0.073 . 1 . . . . 172 I CG2 . 11078 1 218 . 1 1 25 25 ILE N N 15 119.580 0.075 . 1 . . . . 172 I N . 11078 1 219 . 1 1 26 26 GLN H H 1 8.699 0.011 . 1 . . . . 173 Q HN . 11078 1 220 . 1 1 26 26 GLN HA H 1 4.047 0.007 . 1 . . . . 173 Q HA . 11078 1 221 . 1 1 26 26 GLN HB2 H 1 2.028 0.009 . 2 . . . . 173 Q QB . 11078 1 222 . 1 1 26 26 GLN HE21 H 1 6.904 0.003 . 2 . . . . 173 Q HE21 . 11078 1 223 . 1 1 26 26 GLN HE22 H 1 7.630 0.002 . 2 . . . . 173 Q HE22 . 11078 1 224 . 1 1 26 26 GLN HG2 H 1 2.441 0.010 . 2 . . . . 173 Q HG2 . 11078 1 225 . 1 1 26 26 GLN HG3 H 1 2.364 0.013 . 2 . . . . 173 Q HG3 . 11078 1 226 . 1 1 26 26 GLN CA C 13 59.709 0.111 . 1 . . . . 173 Q CA . 11078 1 227 . 1 1 26 26 GLN CB C 13 27.613 0.109 . 1 . . . . 173 Q CB . 11078 1 228 . 1 1 26 26 GLN CG C 13 34.651 0.170 . 1 . . . . 173 Q CG . 11078 1 229 . 1 1 26 26 GLN N N 15 121.585 0.080 . 1 . . . . 173 Q N . 11078 1 230 . 1 1 26 26 GLN NE2 N 15 112.332 0.027 . 1 . . . . 173 Q NE2 . 11078 1 231 . 1 1 27 27 PHE H H 1 7.794 0.013 . 1 . . . . 174 F HN . 11078 1 232 . 1 1 27 27 PHE HA H 1 4.009 0.012 . 1 . . . . 174 F HA . 11078 1 233 . 1 1 27 27 PHE HB2 H 1 2.406 0.010 . 2 . . . . 174 F HB2 . 11078 1 234 . 1 1 27 27 PHE HB3 H 1 2.034 0.008 . 2 . . . . 174 F HB3 . 11078 1 235 . 1 1 27 27 PHE CA C 13 60.982 0.167 . 1 . . . . 174 F CA . 11078 1 236 . 1 1 27 27 PHE CB C 13 38.472 0.107 . 1 . . . . 174 F CB . 11078 1 237 . 1 1 27 27 PHE N N 15 120.521 0.056 . 1 . . . . 174 F N . 11078 1 238 . 1 1 28 28 VAL H H 1 7.188 0.017 . 1 . . . . 175 V HN . 11078 1 239 . 1 1 28 28 VAL HA H 1 2.848 0.009 . 1 . . . . 175 V HA . 11078 1 240 . 1 1 28 28 VAL HB H 1 1.403 0.005 . 1 . . . . 175 V HB . 11078 1 241 . 1 1 28 28 VAL HG11 H 1 0.355 0.006 . 1 . . . . 175 V QG1 . 11078 1 242 . 1 1 28 28 VAL HG12 H 1 0.355 0.006 . 1 . . . . 175 V QG1 . 11078 1 243 . 1 1 28 28 VAL HG13 H 1 0.355 0.006 . 1 . . . . 175 V QG1 . 11078 1 244 . 1 1 28 28 VAL HG21 H 1 0.039 0.008 . 1 . . . . 175 V QG2 . 11078 1 245 . 1 1 28 28 VAL HG22 H 1 0.039 0.008 . 1 . . . . 175 V QG2 . 11078 1 246 . 1 1 28 28 VAL HG23 H 1 0.039 0.008 . 1 . . . . 175 V QG2 . 11078 1 247 . 1 1 28 28 VAL CA C 13 67.302 0.104 . 1 . . . . 175 V CA . 11078 1 248 . 1 1 28 28 VAL CB C 13 30.665 0.096 . 1 . . . . 175 V CB . 11078 1 249 . 1 1 28 28 VAL CG1 C 13 24.192 0.067 . 2 . . . . 175 V CG1 . 11078 1 250 . 1 1 28 28 VAL CG2 C 13 20.837 0.070 . 2 . . . . 175 V CG2 . 11078 1 251 . 1 1 28 28 VAL N N 15 119.677 0.066 . 1 . . . . 175 V N . 11078 1 252 . 1 1 29 29 GLN H H 1 8.321 0.012 . 1 . . . . 176 Q HN . 11078 1 253 . 1 1 29 29 GLN HA H 1 3.440 0.008 . 1 . . . . 176 Q HA . 11078 1 254 . 1 1 29 29 GLN HB2 H 1 2.110 0.011 . 2 . . . . 176 Q HB2 . 11078 1 255 . 1 1 29 29 GLN HB3 H 1 1.767 0.015 . 2 . . . . 176 Q HB3 . 11078 1 256 . 1 1 29 29 GLN HE21 H 1 6.736 0.006 . 2 . . . . 176 Q HE21 . 11078 1 257 . 1 1 29 29 GLN HE22 H 1 7.003 0.007 . 2 . . . . 176 Q HE22 . 11078 1 258 . 1 1 29 29 GLN HG2 H 1 2.297 0.013 . 2 . . . . 176 Q HG2 . 11078 1 259 . 1 1 29 29 GLN HG3 H 1 2.111 0.006 . 2 . . . . 176 Q HG3 . 11078 1 260 . 1 1 29 29 GLN CA C 13 59.760 0.057 . 1 . . . . 176 Q CA . 11078 1 261 . 1 1 29 29 GLN CB C 13 28.120 0.100 . 1 . . . . 176 Q CB . 11078 1 262 . 1 1 29 29 GLN CG C 13 34.861 0.084 . 1 . . . . 176 Q CG . 11078 1 263 . 1 1 29 29 GLN N N 15 117.745 0.046 . 1 . . . . 176 Q N . 11078 1 264 . 1 1 29 29 GLN NE2 N 15 109.462 0.069 . 1 . . . . 176 Q NE2 . 11078 1 265 . 1 1 30 30 GLU H H 1 7.120 0.012 . 1 . . . . 177 E HN . 11078 1 266 . 1 1 30 30 GLU HA H 1 3.822 0.015 . 1 . . . . 177 E HA . 11078 1 267 . 1 1 30 30 GLU HB2 H 1 1.913 0.000 . 2 . . . . 177 E QB . 11078 1 268 . 1 1 30 30 GLU CA C 13 58.540 0.124 . 1 . . . . 177 E CA . 11078 1 269 . 1 1 30 30 GLU CB C 13 27.814 0.446 . 1 . . . . 177 E CB . 11078 1 270 . 1 1 30 30 GLU N N 15 120.600 0.041 . 1 . . . . 177 E N . 11078 1 271 . 1 1 31 31 MET H H 1 8.322 0.015 . 1 . . . . 178 M HN . 11078 1 272 . 1 1 31 31 MET HB2 H 1 2.214 0.011 . 2 . . . . 178 M HB2 . 11078 1 273 . 1 1 31 31 MET HB3 H 1 1.839 0.005 . 2 . . . . 178 M HB3 . 11078 1 274 . 1 1 31 31 MET HE1 H 1 1.722 0.007 . 1 . . . . 178 M QE . 11078 1 275 . 1 1 31 31 MET HE2 H 1 1.722 0.007 . 1 . . . . 178 M QE . 11078 1 276 . 1 1 31 31 MET HE3 H 1 1.722 0.007 . 1 . . . . 178 M QE . 11078 1 277 . 1 1 31 31 MET CA C 13 57.799 0.061 . 1 . . . . 178 M CA . 11078 1 278 . 1 1 31 31 MET CB C 13 31.133 0.731 . 1 . . . . 178 M CB . 11078 1 279 . 1 1 31 31 MET CE C 13 16.852 0.032 . 1 . . . . 178 M CE . 11078 1 280 . 1 1 31 31 MET N N 15 119.457 0.077 . 1 . . . . 178 M N . 11078 1 281 . 1 1 32 32 ILE H H 1 8.109 0.011 . 1 . . . . 179 I HN . 11078 1 282 . 1 1 32 32 ILE HA H 1 3.106 0.012 . 1 . . . . 179 I HA . 11078 1 283 . 1 1 32 32 ILE HB H 1 1.471 0.008 . 1 . . . . 179 I HB . 11078 1 284 . 1 1 32 32 ILE HD11 H 1 0.448 0.014 . 1 . . . . 179 I QD1 . 11078 1 285 . 1 1 32 32 ILE HD12 H 1 0.448 0.014 . 1 . . . . 179 I QD1 . 11078 1 286 . 1 1 32 32 ILE HD13 H 1 0.448 0.014 . 1 . . . . 179 I QD1 . 11078 1 287 . 1 1 32 32 ILE HG12 H 1 1.371 0.008 . 2 . . . . 179 I HG12 . 11078 1 288 . 1 1 32 32 ILE HG13 H 1 0.736 0.010 . 2 . . . . 179 I HG13 . 11078 1 289 . 1 1 32 32 ILE HG21 H 1 0.641 0.008 . 1 . . . . 179 I QG2 . 11078 1 290 . 1 1 32 32 ILE HG22 H 1 0.641 0.008 . 1 . . . . 179 I QG2 . 11078 1 291 . 1 1 32 32 ILE HG23 H 1 0.641 0.008 . 1 . . . . 179 I QG2 . 11078 1 292 . 1 1 32 32 ILE CA C 13 65.492 0.199 . 1 . . . . 179 I CA . 11078 1 293 . 1 1 32 32 ILE CB C 13 37.188 0.092 . 1 . . . . 179 I CB . 11078 1 294 . 1 1 32 32 ILE CD1 C 13 13.994 0.065 . 1 . . . . 179 I CD1 . 11078 1 295 . 1 1 32 32 ILE CG1 C 13 29.031 0.058 . 1 . . . . 179 I CG1 . 11078 1 296 . 1 1 32 32 ILE CG2 C 13 18.387 0.054 . 1 . . . . 179 I CG2 . 11078 1 297 . 1 1 32 32 ILE N N 15 117.749 0.156 . 1 . . . . 179 I N . 11078 1 298 . 1 1 33 33 ARG H H 1 7.278 0.011 . 1 . . . . 180 R HN . 11078 1 299 . 1 1 33 33 ARG HA H 1 3.818 0.010 . 1 . . . . 180 R HA . 11078 1 300 . 1 1 33 33 ARG HD2 H 1 3.011 0.009 . 2 . . . . 180 R QD . 11078 1 301 . 1 1 33 33 ARG HG2 H 1 1.505 0.008 . 2 . . . . 180 R HG2 . 11078 1 302 . 1 1 33 33 ARG HG3 H 1 1.303 0.011 . 2 . . . . 180 R HG3 . 11078 1 303 . 1 1 33 33 ARG CA C 13 59.570 0.234 . 1 . . . . 180 R CA . 11078 1 304 . 1 1 33 33 ARG CB C 13 29.958 0.109 . 1 . . . . 180 R CB . 11078 1 305 . 1 1 33 33 ARG CD C 13 43.300 0.042 . 1 . . . . 180 R CD . 11078 1 306 . 1 1 33 33 ARG CG C 13 27.551 0.050 . 1 . . . . 180 R CG . 11078 1 307 . 1 1 33 33 ARG N N 15 118.517 0.063 . 1 . . . . 180 R N . 11078 1 308 . 1 1 34 34 GLN H H 1 8.079 0.013 . 1 . . . . 181 Q HN . 11078 1 309 . 1 1 34 34 GLN HA H 1 3.566 0.006 . 1 . . . . 181 Q HA . 11078 1 310 . 1 1 34 34 GLN HB2 H 1 1.808 0.009 . 2 . . . . 181 Q QB . 11078 1 311 . 1 1 34 34 GLN HE21 H 1 6.552 0.006 . 2 . . . . 181 Q HE21 . 11078 1 312 . 1 1 34 34 GLN HE22 H 1 7.387 0.004 . 2 . . . . 181 Q HE22 . 11078 1 313 . 1 1 34 34 GLN HG2 H 1 0.857 0.007 . 2 . . . . 181 Q HG2 . 11078 1 314 . 1 1 34 34 GLN HG3 H 1 0.824 0.015 . 2 . . . . 181 Q HG3 . 11078 1 315 . 1 1 34 34 GLN CA C 13 58.018 0.062 . 1 . . . . 181 Q CA . 11078 1 316 . 1 1 34 34 GLN CB C 13 25.195 0.369 . 1 . . . . 181 Q CB . 11078 1 317 . 1 1 34 34 GLN CG C 13 31.766 0.074 . 1 . . . . 181 Q CG . 11078 1 318 . 1 1 34 34 GLN N N 15 116.661 0.042 . 1 . . . . 181 Q N . 11078 1 319 . 1 1 34 34 GLN NE2 N 15 110.570 0.036 . 1 . . . . 181 Q NE2 . 11078 1 320 . 1 1 35 35 LEU H H 1 8.589 0.011 . 1 . . . . 182 L HN . 11078 1 321 . 1 1 35 35 LEU HA H 1 4.029 0.013 . 1 . . . . 182 L HA . 11078 1 322 . 1 1 35 35 LEU HB2 H 1 1.861 0.012 . 2 . . . . 182 L HB2 . 11078 1 323 . 1 1 35 35 LEU HB3 H 1 1.200 0.009 . 2 . . . . 182 L HB3 . 11078 1 324 . 1 1 35 35 LEU HD11 H 1 0.882 0.008 . 1 . . . . 182 L QD1 . 11078 1 325 . 1 1 35 35 LEU HD12 H 1 0.882 0.008 . 1 . . . . 182 L QD1 . 11078 1 326 . 1 1 35 35 LEU HD13 H 1 0.882 0.008 . 1 . . . . 182 L QD1 . 11078 1 327 . 1 1 35 35 LEU HD21 H 1 0.590 0.010 . 1 . . . . 182 L QD2 . 11078 1 328 . 1 1 35 35 LEU HD22 H 1 0.590 0.010 . 1 . . . . 182 L QD2 . 11078 1 329 . 1 1 35 35 LEU HD23 H 1 0.590 0.010 . 1 . . . . 182 L QD2 . 11078 1 330 . 1 1 35 35 LEU HG H 1 1.926 0.015 . 1 . . . . 182 L HG . 11078 1 331 . 1 1 35 35 LEU CA C 13 58.057 0.057 . 1 . . . . 182 L CA . 11078 1 332 . 1 1 35 35 LEU CB C 13 41.147 0.047 . 1 . . . . 182 L CB . 11078 1 333 . 1 1 35 35 LEU CD1 C 13 22.679 0.077 . 2 . . . . 182 L CD1 . 11078 1 334 . 1 1 35 35 LEU CD2 C 13 25.749 0.083 . 2 . . . . 182 L CD2 . 11078 1 335 . 1 1 35 35 LEU CG C 13 26.448 0.053 . 1 . . . . 182 L CG . 11078 1 336 . 1 1 35 35 LEU N N 15 120.289 0.053 . 1 . . . . 182 L N . 11078 1 337 . 1 1 36 36 GLU H H 1 8.418 0.006 . 1 . . . . 183 E HN . 11078 1 338 . 1 1 36 36 GLU HA H 1 4.048 0.009 . 1 . . . . 183 E HA . 11078 1 339 . 1 1 36 36 GLU HB2 H 1 2.064 0.023 . 2 . . . . 183 E QB . 11078 1 340 . 1 1 36 36 GLU HG2 H 1 2.193 0.014 . 2 . . . . 183 E QG . 11078 1 341 . 1 1 36 36 GLU CA C 13 59.471 0.071 . 1 . . . . 183 E CA . 11078 1 342 . 1 1 36 36 GLU CB C 13 29.024 0.102 . 1 . . . . 183 E CB . 11078 1 343 . 1 1 37 37 GLN H H 1 7.354 0.014 . 1 . . . . 184 Q HN . 11078 1 344 . 1 1 37 37 GLN HA H 1 4.324 0.008 . 1 . . . . 184 Q HA . 11078 1 345 . 1 1 37 37 GLN HB2 H 1 2.255 0.009 . 2 . . . . 184 Q HB2 . 11078 1 346 . 1 1 37 37 GLN HB3 H 1 2.006 0.011 . 2 . . . . 184 Q HB3 . 11078 1 347 . 1 1 37 37 GLN HE21 H 1 6.728 0.005 . 2 . . . . 184 Q HE21 . 11078 1 348 . 1 1 37 37 GLN HE22 H 1 7.220 0.005 . 2 . . . . 184 Q HE22 . 11078 1 349 . 1 1 37 37 GLN HG2 H 1 2.441 0.008 . 2 . . . . 184 Q HG2 . 11078 1 350 . 1 1 37 37 GLN HG3 H 1 2.407 0.009 . 2 . . . . 184 Q HG3 . 11078 1 351 . 1 1 37 37 GLN CA C 13 56.366 0.120 . 1 . . . . 184 Q CA . 11078 1 352 . 1 1 37 37 GLN CB C 13 28.916 0.088 . 1 . . . . 184 Q CB . 11078 1 353 . 1 1 37 37 GLN N N 15 116.099 0.058 . 1 . . . . 184 Q N . 11078 1 354 . 1 1 37 37 GLN NE2 N 15 111.332 0.054 . 1 . . . . 184 Q NE2 . 11078 1 355 . 1 1 42 42 LEU HA H 1 4.389 0.016 . 1 . . . . 189 L HA . 11078 1 356 . 1 1 42 42 LEU HB2 H 1 1.752 0.012 . 2 . . . . 189 L HB2 . 11078 1 357 . 1 1 42 42 LEU HB3 H 1 1.056 0.015 . 2 . . . . 189 L HB3 . 11078 1 358 . 1 1 42 42 LEU HD11 H 1 0.897 0.010 . 1 . . . . 189 L QD1 . 11078 1 359 . 1 1 42 42 LEU HD12 H 1 0.897 0.010 . 1 . . . . 189 L QD1 . 11078 1 360 . 1 1 42 42 LEU HD13 H 1 0.897 0.010 . 1 . . . . 189 L QD1 . 11078 1 361 . 1 1 42 42 LEU HD21 H 1 0.676 0.008 . 1 . . . . 189 L QD2 . 11078 1 362 . 1 1 42 42 LEU HD22 H 1 0.676 0.008 . 1 . . . . 189 L QD2 . 11078 1 363 . 1 1 42 42 LEU HD23 H 1 0.676 0.008 . 1 . . . . 189 L QD2 . 11078 1 364 . 1 1 42 42 LEU HG H 1 1.600 0.007 . 1 . . . . 189 L HG . 11078 1 365 . 1 1 42 42 LEU CA C 13 54.419 0.072 . 1 . . . . 189 L CA . 11078 1 366 . 1 1 42 42 LEU CB C 13 44.103 0.181 . 1 . . . . 189 L CB . 11078 1 367 . 1 1 42 42 LEU CD1 C 13 27.161 0.121 . 2 . . . . 189 L CD1 . 11078 1 368 . 1 1 42 42 LEU CD2 C 13 22.435 0.063 . 2 . . . . 189 L CD2 . 11078 1 369 . 1 1 42 42 LEU CG C 13 27.134 0.000 . 1 . . . . 189 L CG . 11078 1 370 . 1 1 43 43 LYS H H 1 10.181 0.028 . 1 . . . . 190 K HN . 11078 1 371 . 1 1 43 43 LYS HA H 1 4.985 0.010 . 1 . . . . 190 K HA . 11078 1 372 . 1 1 43 43 LYS HB2 H 1 1.969 0.017 . 2 . . . . 190 K HB2 . 11078 1 373 . 1 1 43 43 LYS HB3 H 1 1.659 0.013 . 2 . . . . 190 K HB3 . 11078 1 374 . 1 1 43 43 LYS HD2 H 1 1.821 0.015 . 2 . . . . 190 K QD . 11078 1 375 . 1 1 43 43 LYS HE2 H 1 2.945 0.034 . 2 . . . . 190 K QE . 11078 1 376 . 1 1 43 43 LYS HG2 H 1 1.531 0.010 . 2 . . . . 190 K HG2 . 11078 1 377 . 1 1 43 43 LYS HG3 H 1 1.436 0.011 . 2 . . . . 190 K HG3 . 11078 1 378 . 1 1 43 43 LYS CA C 13 55.536 0.058 . 1 . . . . 190 K CA . 11078 1 379 . 1 1 43 43 LYS CB C 13 33.445 0.134 . 1 . . . . 190 K CB . 11078 1 380 . 1 1 43 43 LYS CD C 13 31.661 0.080 . 1 . . . . 190 K CD . 11078 1 381 . 1 1 43 43 LYS CE C 13 42.152 0.080 . 1 . . . . 190 K CE . 11078 1 382 . 1 1 43 43 LYS CG C 13 25.326 0.102 . 1 . . . . 190 K CG . 11078 1 383 . 1 1 43 43 LYS N N 15 123.638 0.061 . 1 . . . . 190 K N . 11078 1 384 . 1 1 44 44 LEU H H 1 9.603 0.018 . 1 . . . . 191 L HN . 11078 1 385 . 1 1 44 44 LEU HA H 1 5.642 0.008 . 1 . . . . 191 L HA . 11078 1 386 . 1 1 44 44 LEU HB2 H 1 1.992 0.011 . 2 . . . . 191 L HB2 . 11078 1 387 . 1 1 44 44 LEU HB3 H 1 1.192 0.008 . 2 . . . . 191 L HB3 . 11078 1 388 . 1 1 44 44 LEU HG H 1 1.611 0.008 . 1 . . . . 191 L HG . 11078 1 389 . 1 1 44 44 LEU CA C 13 52.906 0.063 . 1 . . . . 191 L CA . 11078 1 390 . 1 1 44 44 LEU CB C 13 45.559 0.084 . 1 . . . . 191 L CB . 11078 1 391 . 1 1 44 44 LEU CD1 C 13 23.992 0.070 . 2 . . . . 191 L CD1 . 11078 1 392 . 1 1 44 44 LEU CD2 C 13 25.663 0.045 . 2 . . . . 191 L CD2 . 11078 1 393 . 1 1 44 44 LEU CG C 13 26.749 0.068 . 1 . . . . 191 L CG . 11078 1 394 . 1 1 44 44 LEU N N 15 126.817 0.058 . 1 . . . . 191 L N . 11078 1 395 . 1 1 45 45 CYS H H 1 8.446 0.016 . 1 . . . . 192 C HN . 11078 1 396 . 1 1 45 45 CYS HA H 1 5.749 0.007 . 1 . . . . 192 C HA . 11078 1 397 . 1 1 45 45 CYS HB2 H 1 2.183 0.016 . 2 . . . . 192 C HB2 . 11078 1 398 . 1 1 45 45 CYS HB3 H 1 1.974 0.014 . 2 . . . . 192 C HB3 . 11078 1 399 . 1 1 45 45 CYS CA C 13 54.607 0.061 . 1 . . . . 192 C CA . 11078 1 400 . 1 1 45 45 CYS CB C 13 32.400 0.108 . 1 . . . . 192 C CB . 11078 1 401 . 1 1 45 45 CYS N N 15 114.018 0.082 . 1 . . . . 192 C N . 11078 1 402 . 1 1 46 46 VAL H H 1 8.484 0.009 . 1 . . . . 193 V HN . 11078 1 403 . 1 1 46 46 VAL HA H 1 4.068 0.012 . 1 . . . . 193 V HA . 11078 1 404 . 1 1 46 46 VAL HB H 1 2.550 0.015 . 1 . . . . 193 V HB . 11078 1 405 . 1 1 46 46 VAL HG11 H 1 0.733 0.008 . 1 . . . . 193 V QG1 . 11078 1 406 . 1 1 46 46 VAL HG12 H 1 0.733 0.008 . 1 . . . . 193 V QG1 . 11078 1 407 . 1 1 46 46 VAL HG13 H 1 0.733 0.008 . 1 . . . . 193 V QG1 . 11078 1 408 . 1 1 46 46 VAL HG21 H 1 0.416 0.010 . 1 . . . . 193 V QG2 . 11078 1 409 . 1 1 46 46 VAL HG22 H 1 0.416 0.010 . 1 . . . . 193 V QG2 . 11078 1 410 . 1 1 46 46 VAL HG23 H 1 0.416 0.010 . 1 . . . . 193 V QG2 . 11078 1 411 . 1 1 46 46 VAL CA C 13 59.538 0.134 . 1 . . . . 193 V CA . 11078 1 412 . 1 1 46 46 VAL CB C 13 36.754 0.170 . 1 . . . . 193 V CB . 11078 1 413 . 1 1 46 46 VAL CG1 C 13 22.166 0.083 . 2 . . . . 193 V CG1 . 11078 1 414 . 1 1 46 46 VAL CG2 C 13 17.084 0.037 . 2 . . . . 193 V CG2 . 11078 1 415 . 1 1 46 46 VAL N N 15 111.168 0.064 . 1 . . . . 193 V N . 11078 1 416 . 1 1 47 47 SER H H 1 9.350 0.009 . 1 . . . . 194 S HN . 11078 1 417 . 1 1 47 47 SER HA H 1 4.627 0.007 . 1 . . . . 194 S HA . 11078 1 418 . 1 1 47 47 SER HB2 H 1 3.919 0.010 . 2 . . . . 194 S HB2 . 11078 1 419 . 1 1 47 47 SER HB3 H 1 3.869 0.015 . 2 . . . . 194 S HB3 . 11078 1 420 . 1 1 47 47 SER CA C 13 62.054 0.170 . 1 . . . . 194 S CA . 11078 1 421 . 1 1 47 47 SER CB C 13 63.390 0.126 . 1 . . . . 194 S CB . 11078 1 422 . 1 1 47 47 SER N N 15 116.476 0.084 . 1 . . . . 194 S N . 11078 1 423 . 1 1 51 51 VAL HA H 1 4.190 0.007 . 1 . . . . 198 V HA . 11078 1 424 . 1 1 51 51 VAL HB H 1 2.324 0.006 . 1 . . . . 198 V HB . 11078 1 425 . 1 1 51 51 VAL HG11 H 1 0.906 0.007 . 1 . . . . 198 V QG1 . 11078 1 426 . 1 1 51 51 VAL HG12 H 1 0.906 0.007 . 1 . . . . 198 V QG1 . 11078 1 427 . 1 1 51 51 VAL HG13 H 1 0.906 0.007 . 1 . . . . 198 V QG1 . 11078 1 428 . 1 1 51 51 VAL HG21 H 1 0.863 0.008 . 1 . . . . 198 V QG2 . 11078 1 429 . 1 1 51 51 VAL HG22 H 1 0.863 0.008 . 1 . . . . 198 V QG2 . 11078 1 430 . 1 1 51 51 VAL HG23 H 1 0.863 0.008 . 1 . . . . 198 V QG2 . 11078 1 431 . 1 1 51 51 VAL CA C 13 61.247 0.029 . 1 . . . . 198 V CA . 11078 1 432 . 1 1 51 51 VAL CB C 13 30.930 0.034 . 1 . . . . 198 V CB . 11078 1 433 . 1 1 51 51 VAL CG1 C 13 19.149 0.064 . 2 . . . . 198 V CG1 . 11078 1 434 . 1 1 51 51 VAL CG2 C 13 21.463 0.048 . 2 . . . . 198 V CG2 . 11078 1 435 . 1 1 52 52 LEU HA H 1 4.696 0.008 . 1 . . . . 199 L HA . 11078 1 436 . 1 1 52 52 LEU HB2 H 1 1.405 0.009 . 2 . . . . 199 L HB2 . 11078 1 437 . 1 1 52 52 LEU HB3 H 1 1.227 0.022 . 2 . . . . 199 L HB3 . 11078 1 438 . 1 1 52 52 LEU HD11 H 1 0.643 0.008 . 1 . . . . 199 L QD1 . 11078 1 439 . 1 1 52 52 LEU HD12 H 1 0.643 0.008 . 1 . . . . 199 L QD1 . 11078 1 440 . 1 1 52 52 LEU HD13 H 1 0.643 0.008 . 1 . . . . 199 L QD1 . 11078 1 441 . 1 1 52 52 LEU HD21 H 1 0.601 0.008 . 1 . . . . 199 L QD2 . 11078 1 442 . 1 1 52 52 LEU HD22 H 1 0.601 0.008 . 1 . . . . 199 L QD2 . 11078 1 443 . 1 1 52 52 LEU HD23 H 1 0.601 0.008 . 1 . . . . 199 L QD2 . 11078 1 444 . 1 1 52 52 LEU HG H 1 1.364 0.011 . 1 . . . . 199 L HG . 11078 1 445 . 1 1 52 52 LEU CA C 13 51.674 0.210 . 1 . . . . 199 L CA . 11078 1 446 . 1 1 52 52 LEU CB C 13 42.513 0.083 . 1 . . . . 199 L CB . 11078 1 447 . 1 1 52 52 LEU CD1 C 13 27.489 0.069 . 2 . . . . 199 L CD1 . 11078 1 448 . 1 1 52 52 LEU CD2 C 13 24.311 0.077 . 2 . . . . 199 L CD2 . 11078 1 449 . 1 1 52 52 LEU CG C 13 26.403 0.175 . 1 . . . . 199 L CG . 11078 1 450 . 1 1 53 53 PRO HA H 1 4.344 0.006 . 1 . . . . 200 P HA . 11078 1 451 . 1 1 53 53 PRO HB2 H 1 1.857 0.007 . 2 . . . . 200 P HB2 . 11078 1 452 . 1 1 53 53 PRO HB3 H 1 2.110 0.009 . 2 . . . . 200 P HB3 . 11078 1 453 . 1 1 53 53 PRO HD2 H 1 3.378 0.000 . 2 . . . . 200 P HD2 . 11078 1 454 . 1 1 53 53 PRO CA C 13 63.408 0.117 . 1 . . . . 200 P CA . 11078 1 455 . 1 1 53 53 PRO CB C 13 31.495 0.202 . 1 . . . . 200 P CB . 11078 1 456 . 1 1 53 53 PRO CD C 13 50.529 0.000 . 1 . . . . 200 P CD . 11078 1 457 . 1 1 54 54 GLY H H 1 8.643 0.012 . 1 . . . . 201 G HN . 11078 1 458 . 1 1 54 54 GLY HA2 H 1 3.948 0.005 . 2 . . . . 201 G HA2 . 11078 1 459 . 1 1 54 54 GLY HA3 H 1 3.718 0.009 . 2 . . . . 201 G HA3 . 11078 1 460 . 1 1 54 54 GLY CA C 13 45.464 0.085 . 1 . . . . 201 G CA . 11078 1 461 . 1 1 54 54 GLY N N 15 108.490 0.046 . 1 . . . . 201 G N . 11078 1 462 . 1 1 56 56 CYS HA H 1 4.417 0.006 . 1 . . . . 203 C HA . 11078 1 463 . 1 1 56 56 CYS HB2 H 1 2.951 0.007 . 2 . . . . 203 C HB2 . 11078 1 464 . 1 1 56 56 CYS HB3 H 1 2.821 0.010 . 2 . . . . 203 C HB3 . 11078 1 465 . 1 1 56 56 CYS CA C 13 57.928 0.100 . 1 . . . . 203 C CA . 11078 1 466 . 1 1 56 56 CYS CB C 13 26.784 0.088 . 1 . . . . 203 C CB . 11078 1 467 . 1 1 57 57 VAL H H 1 6.831 0.018 . 1 . . . . 204 V HN . 11078 1 468 . 1 1 57 57 VAL HA H 1 4.501 0.007 . 1 . . . . 204 V HA . 11078 1 469 . 1 1 57 57 VAL HB H 1 1.871 0.009 . 1 . . . . 204 V HB . 11078 1 470 . 1 1 57 57 VAL HG11 H 1 0.753 0.009 . 1 . . . . 204 V QG1 . 11078 1 471 . 1 1 57 57 VAL HG12 H 1 0.753 0.009 . 1 . . . . 204 V QG1 . 11078 1 472 . 1 1 57 57 VAL HG13 H 1 0.753 0.009 . 1 . . . . 204 V QG1 . 11078 1 473 . 1 1 57 57 VAL HG21 H 1 0.704 0.006 . 1 . . . . 204 V QG2 . 11078 1 474 . 1 1 57 57 VAL HG22 H 1 0.704 0.006 . 1 . . . . 204 V QG2 . 11078 1 475 . 1 1 57 57 VAL HG23 H 1 0.704 0.006 . 1 . . . . 204 V QG2 . 11078 1 476 . 1 1 57 57 VAL CA C 13 60.573 0.101 . 1 . . . . 204 V CA . 11078 1 477 . 1 1 57 57 VAL CB C 13 33.724 0.173 . 1 . . . . 204 V CB . 11078 1 478 . 1 1 57 57 VAL CG1 C 13 22.426 0.061 . 2 . . . . 204 V CG1 . 11078 1 479 . 1 1 57 57 VAL CG2 C 13 20.041 0.028 . 2 . . . . 204 V CG2 . 11078 1 480 . 1 1 57 57 VAL N N 15 116.075 0.122 . 1 . . . . 204 V N . 11078 1 481 . 1 1 58 58 TRP H H 1 8.103 0.012 . 1 . . . . 205 W HN . 11078 1 482 . 1 1 58 58 TRP HA H 1 4.650 0.009 . 1 . . . . 205 W HA . 11078 1 483 . 1 1 58 58 TRP HB2 H 1 3.472 0.012 . 2 . . . . 205 W HB2 . 11078 1 484 . 1 1 58 58 TRP HB3 H 1 2.913 0.020 . 2 . . . . 205 W HB3 . 11078 1 485 . 1 1 58 58 TRP HD1 H 1 7.637 0.005 . 1 . . . . 205 W HD1 . 11078 1 486 . 1 1 58 58 TRP HE1 H 1 10.285 0.007 . 1 . . . . 205 W HE1 . 11078 1 487 . 1 1 58 58 TRP HZ2 H 1 7.428 0.008 . 1 . . . . 205 W HZ2 . 11078 1 488 . 1 1 58 58 TRP CA C 13 58.209 0.096 . 1 . . . . 205 W CA . 11078 1 489 . 1 1 58 58 TRP CB C 13 32.738 0.105 . 1 . . . . 205 W CB . 11078 1 490 . 1 1 58 58 TRP CD1 C 13 127.728 0.001 . 1 . . . . 205 W CD1 . 11078 1 491 . 1 1 58 58 TRP CZ2 C 13 114.867 0.009 . 1 . . . . 205 W CZ2 . 11078 1 492 . 1 1 58 58 TRP N N 15 123.136 0.095 . 1 . . . . 205 W N . 11078 1 493 . 1 1 58 58 TRP NE1 N 15 130.089 0.058 . 1 . . . . 205 W NE1 . 11078 1 494 . 1 1 59 59 SER H H 1 8.739 0.012 . 1 . . . . 206 S HN . 11078 1 495 . 1 1 59 59 SER HA H 1 5.273 0.009 . 1 . . . . 206 S HA . 11078 1 496 . 1 1 59 59 SER HB2 H 1 3.843 0.003 . 2 . . . . 206 S HB2 . 11078 1 497 . 1 1 59 59 SER HB3 H 1 3.782 0.009 . 2 . . . . 206 S HB3 . 11078 1 498 . 1 1 59 59 SER CA C 13 57.580 0.120 . 1 . . . . 206 S CA . 11078 1 499 . 1 1 59 59 SER CB C 13 64.723 0.159 . 1 . . . . 206 S CB . 11078 1 500 . 1 1 59 59 SER N N 15 116.784 0.071 . 1 . . . . 206 S N . 11078 1 501 . 1 1 60 60 ILE H H 1 8.194 0.013 . 1 . . . . 207 I HN . 11078 1 502 . 1 1 60 60 ILE HA H 1 4.521 0.021 . 1 . . . . 207 I HA . 11078 1 503 . 1 1 60 60 ILE HB H 1 1.233 0.012 . 1 . . . . 207 I HB . 11078 1 504 . 1 1 60 60 ILE HD11 H 1 0.552 0.009 . 1 . . . . 207 I QD1 . 11078 1 505 . 1 1 60 60 ILE HD12 H 1 0.552 0.009 . 1 . . . . 207 I QD1 . 11078 1 506 . 1 1 60 60 ILE HD13 H 1 0.552 0.009 . 1 . . . . 207 I QD1 . 11078 1 507 . 1 1 60 60 ILE HG12 H 1 1.391 0.008 . 2 . . . . 207 I QG1 . 11078 1 508 . 1 1 60 60 ILE HG21 H 1 0.612 0.010 . 1 . . . . 207 I QG2 . 11078 1 509 . 1 1 60 60 ILE HG22 H 1 0.612 0.010 . 1 . . . . 207 I QG2 . 11078 1 510 . 1 1 60 60 ILE HG23 H 1 0.612 0.010 . 1 . . . . 207 I QG2 . 11078 1 511 . 1 1 60 60 ILE CA C 13 59.697 0.073 . 1 . . . . 207 I CA . 11078 1 512 . 1 1 60 60 ILE CB C 13 42.532 0.066 . 1 . . . . 207 I CB . 11078 1 513 . 1 1 60 60 ILE CD1 C 13 15.030 0.077 . 1 . . . . 207 I CD1 . 11078 1 514 . 1 1 60 60 ILE CG1 C 13 28.347 0.058 . 1 . . . . 207 I CG1 . 11078 1 515 . 1 1 60 60 ILE CG2 C 13 16.111 0.069 . 1 . . . . 207 I CG2 . 11078 1 516 . 1 1 60 60 ILE N N 15 120.684 0.086 . 1 . . . . 207 I N . 11078 1 517 . 1 1 61 61 ALA H H 1 7.905 0.011 . 1 . . . . 208 A HN . 11078 1 518 . 1 1 61 61 ALA HA H 1 4.304 0.007 . 1 . . . . 208 A HA . 11078 1 519 . 1 1 61 61 ALA HB1 H 1 1.403 0.007 . 1 . . . . 208 A QB . 11078 1 520 . 1 1 61 61 ALA HB2 H 1 1.403 0.007 . 1 . . . . 208 A QB . 11078 1 521 . 1 1 61 61 ALA HB3 H 1 1.403 0.007 . 1 . . . . 208 A QB . 11078 1 522 . 1 1 61 61 ALA CA C 13 52.073 0.099 . 1 . . . . 208 A CA . 11078 1 523 . 1 1 61 61 ALA CB C 13 21.044 8.368 . 1 . . . . 208 A CB . 11078 1 524 . 1 1 61 61 ALA N N 15 129.953 0.091 . 1 . . . . 208 A N . 11078 1 525 . 1 1 62 62 SER H H 1 8.638 0.010 . 1 . . . . 209 S HN . 11078 1 526 . 1 1 62 62 SER HA H 1 3.679 0.011 . 1 . . . . 209 S HA . 11078 1 527 . 1 1 62 62 SER HB2 H 1 3.573 0.010 . 2 . . . . 209 S QB . 11078 1 528 . 1 1 62 62 SER CA C 13 61.301 0.127 . 1 . . . . 209 S CA . 11078 1 529 . 1 1 62 62 SER CB C 13 62.582 0.119 . 1 . . . . 209 S CB . 11078 1 530 . 1 1 62 62 SER N N 15 118.777 0.042 . 1 . . . . 209 S N . 11078 1 531 . 1 1 63 63 GLU H H 1 9.384 0.008 . 1 . . . . 210 E HN . 11078 1 532 . 1 1 63 63 GLU HA H 1 4.211 0.008 . 1 . . . . 210 E HA . 11078 1 533 . 1 1 63 63 GLU HB2 H 1 2.040 0.008 . 2 . . . . 210 E QB . 11078 1 534 . 1 1 63 63 GLU CA C 13 58.469 0.121 . 1 . . . . 210 E CA . 11078 1 535 . 1 1 63 63 GLU CB C 13 28.160 0.194 . 1 . . . . 210 E CB . 11078 1 536 . 1 1 63 63 GLU CG C 13 35.897 0.085 . 1 . . . . 210 E CG . 11078 1 537 . 1 1 63 63 GLU N N 15 118.981 0.056 . 1 . . . . 210 E N . 11078 1 538 . 1 1 64 64 LEU H H 1 7.742 0.013 . 1 . . . . 211 L HN . 11078 1 539 . 1 1 64 64 LEU HA H 1 4.449 0.010 . 1 . . . . 211 L HA . 11078 1 540 . 1 1 64 64 LEU HB2 H 1 1.808 0.015 . 2 . . . . 211 L HB2 . 11078 1 541 . 1 1 64 64 LEU HB3 H 1 1.519 0.012 . 2 . . . . 211 L HB3 . 11078 1 542 . 1 1 64 64 LEU HD11 H 1 0.946 0.007 . 1 . . . . 211 L QD1 . 11078 1 543 . 1 1 64 64 LEU HD12 H 1 0.946 0.007 . 1 . . . . 211 L QD1 . 11078 1 544 . 1 1 64 64 LEU HD13 H 1 0.946 0.007 . 1 . . . . 211 L QD1 . 11078 1 545 . 1 1 64 64 LEU HD21 H 1 0.824 0.008 . 1 . . . . 211 L QD2 . 11078 1 546 . 1 1 64 64 LEU HD22 H 1 0.824 0.008 . 1 . . . . 211 L QD2 . 11078 1 547 . 1 1 64 64 LEU HD23 H 1 0.824 0.008 . 1 . . . . 211 L QD2 . 11078 1 548 . 1 1 64 64 LEU HG H 1 1.512 0.010 . 1 . . . . 211 L HG . 11078 1 549 . 1 1 64 64 LEU CA C 13 54.568 0.104 . 1 . . . . 211 L CA . 11078 1 550 . 1 1 64 64 LEU CB C 13 43.029 0.053 . 1 . . . . 211 L CB . 11078 1 551 . 1 1 64 64 LEU CD1 C 13 25.423 0.061 . 2 . . . . 211 L CD1 . 11078 1 552 . 1 1 64 64 LEU CD2 C 13 22.354 0.096 . 2 . . . . 211 L CD2 . 11078 1 553 . 1 1 64 64 LEU CG C 13 27.145 0.017 . 1 . . . . 211 L CG . 11078 1 554 . 1 1 64 64 LEU N N 15 118.329 0.094 . 1 . . . . 211 L N . 11078 1 555 . 1 1 65 65 ILE H H 1 7.117 0.022 . 1 . . . . 212 I HN . 11078 1 556 . 1 1 65 65 ILE HA H 1 3.300 0.010 . 1 . . . . 212 I HA . 11078 1 557 . 1 1 65 65 ILE HB H 1 1.503 0.009 . 1 . . . . 212 I HB . 11078 1 558 . 1 1 65 65 ILE HD11 H 1 -0.313 0.010 . 1 . . . . 212 I QD1 . 11078 1 559 . 1 1 65 65 ILE HD12 H 1 -0.313 0.010 . 1 . . . . 212 I QD1 . 11078 1 560 . 1 1 65 65 ILE HD13 H 1 -0.313 0.010 . 1 . . . . 212 I QD1 . 11078 1 561 . 1 1 65 65 ILE HG12 H 1 1.410 0.012 . 2 . . . . 212 I HG12 . 11078 1 562 . 1 1 65 65 ILE HG13 H 1 0.151 0.013 . 2 . . . . 212 I HG13 . 11078 1 563 . 1 1 65 65 ILE HG21 H 1 0.232 0.007 . 1 . . . . 212 I QG2 . 11078 1 564 . 1 1 65 65 ILE HG22 H 1 0.232 0.007 . 1 . . . . 212 I QG2 . 11078 1 565 . 1 1 65 65 ILE HG23 H 1 0.232 0.007 . 1 . . . . 212 I QG2 . 11078 1 566 . 1 1 65 65 ILE CA C 13 66.527 0.093 . 1 . . . . 212 I CA . 11078 1 567 . 1 1 65 65 ILE CB C 13 38.166 0.061 . 1 . . . . 212 I CB . 11078 1 568 . 1 1 65 65 ILE CD1 C 13 14.005 0.039 . 1 . . . . 212 I CD1 . 11078 1 569 . 1 1 65 65 ILE CG1 C 13 29.741 0.057 . 1 . . . . 212 I CG1 . 11078 1 570 . 1 1 65 65 ILE CG2 C 13 16.287 0.063 . 1 . . . . 212 I CG2 . 11078 1 571 . 1 1 65 65 ILE N N 15 119.673 0.066 . 1 . . . . 212 I N . 11078 1 572 . 1 1 66 66 GLU H H 1 8.795 0.012 . 1 . . . . 213 E HN . 11078 1 573 . 1 1 66 66 GLU HA H 1 3.883 0.007 . 1 . . . . 213 E HA . 11078 1 574 . 1 1 66 66 GLU HB2 H 1 2.190 0.004 . 2 . . . . 213 E HB2 . 11078 1 575 . 1 1 66 66 GLU HB3 H 1 1.980 0.007 . 2 . . . . 213 E HB3 . 11078 1 576 . 1 1 66 66 GLU HG2 H 1 2.293 0.009 . 2 . . . . 213 E HG2 . 11078 1 577 . 1 1 66 66 GLU HG3 H 1 1.954 0.006 . 2 . . . . 213 E HG3 . 11078 1 578 . 1 1 66 66 GLU CA C 13 60.903 0.121 . 1 . . . . 213 E CA . 11078 1 579 . 1 1 66 66 GLU CB C 13 28.016 0.164 . 1 . . . . 213 E CB . 11078 1 580 . 1 1 66 66 GLU CG C 13 36.968 0.047 . 1 . . . . 213 E CG . 11078 1 581 . 1 1 66 66 GLU N N 15 117.955 0.065 . 1 . . . . 213 E N . 11078 1 582 . 1 1 67 67 LYS H H 1 7.670 0.010 . 1 . . . . 214 K HN . 11078 1 583 . 1 1 67 67 LYS HA H 1 4.121 0.008 . 1 . . . . 214 K HA . 11078 1 584 . 1 1 67 67 LYS HB2 H 1 1.799 0.006 . 2 . . . . 214 K QB . 11078 1 585 . 1 1 67 67 LYS HD2 H 1 1.671 0.009 . 2 . . . . 214 K QD . 11078 1 586 . 1 1 67 67 LYS HE2 H 1 2.984 0.017 . 2 . . . . 214 K QE . 11078 1 587 . 1 1 67 67 LYS HG2 H 1 1.537 0.003 . 2 . . . . 214 K HG2 . 11078 1 588 . 1 1 67 67 LYS CA C 13 57.562 0.074 . 1 . . . . 214 K CA . 11078 1 589 . 1 1 67 67 LYS CB C 13 33.702 0.080 . 1 . . . . 214 K CB . 11078 1 590 . 1 1 67 67 LYS CD C 13 29.059 0.024 . 1 . . . . 214 K CD . 11078 1 591 . 1 1 67 67 LYS CE C 13 42.118 0.014 . 1 . . . . 214 K CE . 11078 1 592 . 1 1 67 67 LYS CG C 13 25.483 0.151 . 1 . . . . 214 K CG . 11078 1 593 . 1 1 67 67 LYS N N 15 113.119 0.061 . 1 . . . . 214 K N . 11078 1 594 . 1 1 68 68 ARG H H 1 7.948 0.013 . 1 . . . . 215 R HN . 11078 1 595 . 1 1 68 68 ARG HA H 1 4.629 0.006 . 1 . . . . 215 R HA . 11078 1 596 . 1 1 68 68 ARG HB2 H 1 2.231 0.009 . 2 . . . . 215 R HB2 . 11078 1 597 . 1 1 68 68 ARG HB3 H 1 1.827 0.007 . 2 . . . . 215 R HB3 . 11078 1 598 . 1 1 68 68 ARG HD2 H 1 3.219 0.012 . 2 . . . . 215 R QD . 11078 1 599 . 1 1 68 68 ARG HG2 H 1 1.881 0.006 . 2 . . . . 215 R HG2 . 11078 1 600 . 1 1 68 68 ARG HG3 H 1 1.735 0.012 . 2 . . . . 215 R HG3 . 11078 1 601 . 1 1 68 68 ARG CA C 13 56.560 0.135 . 1 . . . . 215 R CA . 11078 1 602 . 1 1 68 68 ARG CB C 13 31.953 0.132 . 1 . . . . 215 R CB . 11078 1 603 . 1 1 68 68 ARG CD C 13 42.961 0.042 . 1 . . . . 215 R CD . 11078 1 604 . 1 1 68 68 ARG CG C 13 27.934 0.134 . 1 . . . . 215 R CG . 11078 1 605 . 1 1 68 68 ARG N N 15 113.554 0.045 . 1 . . . . 215 R N . 11078 1 606 . 1 1 69 69 CYS H H 1 8.124 0.008 . 1 . . . . 216 C HN . 11078 1 607 . 1 1 69 69 CYS HA H 1 5.037 0.015 . 1 . . . . 216 C HA . 11078 1 608 . 1 1 69 69 CYS HB2 H 1 3.040 0.011 . 2 . . . . 216 C HB2 . 11078 1 609 . 1 1 69 69 CYS HB3 H 1 2.468 0.011 . 2 . . . . 216 C HB3 . 11078 1 610 . 1 1 69 69 CYS CA C 13 57.220 0.057 . 1 . . . . 216 C CA . 11078 1 611 . 1 1 69 69 CYS CB C 13 28.777 0.162 . 1 . . . . 216 C CB . 11078 1 612 . 1 1 69 69 CYS N N 15 116.532 0.085 . 1 . . . . 216 C N . 11078 1 613 . 1 1 70 70 ARG H H 1 8.370 0.011 . 1 . . . . 217 R HN . 11078 1 614 . 1 1 70 70 ARG HA H 1 4.114 0.008 . 1 . . . . 217 R HA . 11078 1 615 . 1 1 70 70 ARG HB2 H 1 2.192 0.013 . 2 . . . . 217 R HB2 . 11078 1 616 . 1 1 70 70 ARG HB3 H 1 2.040 0.018 . 2 . . . . 217 R HB3 . 11078 1 617 . 1 1 70 70 ARG HD2 H 1 3.467 0.013 . 2 . . . . 217 R HD2 . 11078 1 618 . 1 1 70 70 ARG HD3 H 1 3.364 0.013 . 2 . . . . 217 R HD3 . 11078 1 619 . 1 1 70 70 ARG HG2 H 1 2.352 0.021 . 2 . . . . 217 R QG . 11078 1 620 . 1 1 70 70 ARG CA C 13 60.914 0.149 . 1 . . . . 217 R CA . 11078 1 621 . 1 1 70 70 ARG CB C 13 29.807 0.260 . 1 . . . . 217 R CB . 11078 1 622 . 1 1 70 70 ARG CD C 13 43.436 0.062 . 1 . . . . 217 R CD . 11078 1 623 . 1 1 70 70 ARG N N 15 123.651 0.112 . 1 . . . . 217 R N . 11078 1 624 . 1 1 71 71 ARG H H 1 7.372 0.011 . 1 . . . . 218 R HN . 11078 1 625 . 1 1 71 71 ARG HA H 1 5.193 0.013 . 1 . . . . 218 R HA . 11078 1 626 . 1 1 71 71 ARG HG2 H 1 2.439 0.014 . 2 . . . . 218 R HG2 . 11078 1 627 . 1 1 71 71 ARG HG3 H 1 2.066 0.009 . 2 . . . . 218 R HG3 . 11078 1 628 . 1 1 71 71 ARG CA C 13 54.493 0.094 . 1 . . . . 218 R CA . 11078 1 629 . 1 1 71 71 ARG CB C 13 35.404 0.049 . 1 . . . . 218 R CB . 11078 1 630 . 1 1 71 71 ARG N N 15 113.485 0.079 . 1 . . . . 218 R N . 11078 1 631 . 1 1 72 72 MET H H 1 9.191 0.012 . 1 . . . . 219 M HN . 11078 1 632 . 1 1 72 72 MET HA H 1 5.205 0.010 . 1 . . . . 219 M HA . 11078 1 633 . 1 1 72 72 MET HB2 H 1 1.865 0.010 . 2 . . . . 219 M HB2 . 11078 1 634 . 1 1 72 72 MET HB3 H 1 1.546 0.011 . 2 . . . . 219 M HB3 . 11078 1 635 . 1 1 72 72 MET HE1 H 1 1.049 0.007 . 1 . . . . 219 M QE . 11078 1 636 . 1 1 72 72 MET HE2 H 1 1.049 0.007 . 1 . . . . 219 M QE . 11078 1 637 . 1 1 72 72 MET HE3 H 1 1.049 0.007 . 1 . . . . 219 M QE . 11078 1 638 . 1 1 72 72 MET HG2 H 1 2.444 0.000 . 2 . . . . 219 M QG . 11078 1 639 . 1 1 72 72 MET CA C 13 54.415 0.098 . 1 . . . . 219 M CA . 11078 1 640 . 1 1 72 72 MET CB C 13 36.133 0.200 . 1 . . . . 219 M CB . 11078 1 641 . 1 1 72 72 MET CE C 13 15.425 0.032 . 1 . . . . 219 M CE . 11078 1 642 . 1 1 72 72 MET CG C 13 31.445 0.000 . 1 . . . . 219 M CG . 11078 1 643 . 1 1 72 72 MET N N 15 119.856 0.069 . 1 . . . . 219 M N . 11078 1 644 . 1 1 73 73 VAL H H 1 9.291 0.014 . 1 . . . . 220 V HN . 11078 1 645 . 1 1 73 73 VAL HA H 1 4.630 0.006 . 1 . . . . 220 V HA . 11078 1 646 . 1 1 73 73 VAL HB H 1 1.863 0.009 . 1 . . . . 220 V HB . 11078 1 647 . 1 1 73 73 VAL HG11 H 1 0.911 0.007 . 1 . . . . 220 V QG1 . 11078 1 648 . 1 1 73 73 VAL HG12 H 1 0.911 0.007 . 1 . . . . 220 V QG1 . 11078 1 649 . 1 1 73 73 VAL HG13 H 1 0.911 0.007 . 1 . . . . 220 V QG1 . 11078 1 650 . 1 1 73 73 VAL HG21 H 1 0.814 0.004 . 1 . . . . 220 V QG2 . 11078 1 651 . 1 1 73 73 VAL HG22 H 1 0.814 0.004 . 1 . . . . 220 V QG2 . 11078 1 652 . 1 1 73 73 VAL HG23 H 1 0.814 0.004 . 1 . . . . 220 V QG2 . 11078 1 653 . 1 1 73 73 VAL CA C 13 61.057 0.113 . 1 . . . . 220 V CA . 11078 1 654 . 1 1 73 73 VAL CB C 13 33.126 0.166 . 1 . . . . 220 V CB . 11078 1 655 . 1 1 73 73 VAL CG1 C 13 21.555 0.054 . 2 . . . . 220 V CG1 . 11078 1 656 . 1 1 73 73 VAL CG2 C 13 22.625 0.181 . 2 . . . . 220 V CG2 . 11078 1 657 . 1 1 73 73 VAL N N 15 128.968 0.063 . 1 . . . . 220 V N . 11078 1 658 . 1 1 74 74 VAL H H 1 8.715 0.011 . 1 . . . . 221 V HN . 11078 1 659 . 1 1 74 74 VAL HA H 1 4.578 0.015 . 1 . . . . 221 V HA . 11078 1 660 . 1 1 74 74 VAL HB H 1 1.607 0.008 . 1 . . . . 221 V HB . 11078 1 661 . 1 1 74 74 VAL HG11 H 1 0.713 0.009 . 1 . . . . 221 V QG1 . 11078 1 662 . 1 1 74 74 VAL HG12 H 1 0.713 0.009 . 1 . . . . 221 V QG1 . 11078 1 663 . 1 1 74 74 VAL HG13 H 1 0.713 0.009 . 1 . . . . 221 V QG1 . 11078 1 664 . 1 1 74 74 VAL HG21 H 1 0.603 0.010 . 1 . . . . 221 V QG2 . 11078 1 665 . 1 1 74 74 VAL HG22 H 1 0.603 0.010 . 1 . . . . 221 V QG2 . 11078 1 666 . 1 1 74 74 VAL HG23 H 1 0.603 0.010 . 1 . . . . 221 V QG2 . 11078 1 667 . 1 1 74 74 VAL CA C 13 60.806 0.133 . 1 . . . . 221 V CA . 11078 1 668 . 1 1 74 74 VAL CB C 13 34.377 0.148 . 1 . . . . 221 V CB . 11078 1 669 . 1 1 74 74 VAL CG1 C 13 21.615 0.125 . 2 . . . . 221 V CG1 . 11078 1 670 . 1 1 74 74 VAL CG2 C 13 21.926 0.220 . 2 . . . . 221 V CG2 . 11078 1 671 . 1 1 74 74 VAL N N 15 128.293 0.045 . 1 . . . . 221 V N . 11078 1 672 . 1 1 75 75 VAL H H 1 8.092 0.013 . 1 . . . . 222 V HN . 11078 1 673 . 1 1 75 75 VAL HA H 1 4.077 0.007 . 1 . . . . 222 V HA . 11078 1 674 . 1 1 75 75 VAL HB H 1 2.228 0.012 . 1 . . . . 222 V HB . 11078 1 675 . 1 1 75 75 VAL HG11 H 1 0.875 0.007 . 1 . . . . 222 V QG1 . 11078 1 676 . 1 1 75 75 VAL HG12 H 1 0.875 0.007 . 1 . . . . 222 V QG1 . 11078 1 677 . 1 1 75 75 VAL HG13 H 1 0.875 0.007 . 1 . . . . 222 V QG1 . 11078 1 678 . 1 1 75 75 VAL HG21 H 1 0.807 0.003 . 1 . . . . 222 V QG2 . 11078 1 679 . 1 1 75 75 VAL HG22 H 1 0.807 0.003 . 1 . . . . 222 V QG2 . 11078 1 680 . 1 1 75 75 VAL HG23 H 1 0.807 0.003 . 1 . . . . 222 V QG2 . 11078 1 681 . 1 1 75 75 VAL CA C 13 62.937 0.193 . 1 . . . . 222 V CA . 11078 1 682 . 1 1 75 75 VAL CB C 13 30.276 0.141 . 1 . . . . 222 V CB . 11078 1 683 . 1 1 75 75 VAL CG1 C 13 21.778 0.085 . 2 . . . . 222 V CG1 . 11078 1 684 . 1 1 75 75 VAL CG2 C 13 21.415 0.057 . 2 . . . . 222 V CG2 . 11078 1 685 . 1 1 75 75 VAL N N 15 128.490 0.054 . 1 . . . . 222 V N . 11078 1 686 . 1 1 76 76 VAL H H 1 8.637 0.011 . 1 . . . . 223 V HN . 11078 1 687 . 1 1 76 76 VAL HA H 1 3.732 0.010 . 1 . . . . 223 V HA . 11078 1 688 . 1 1 76 76 VAL HB H 1 1.756 0.010 . 1 . . . . 223 V HB . 11078 1 689 . 1 1 76 76 VAL HG11 H 1 0.581 0.008 . 1 . . . . 223 V QG1 . 11078 1 690 . 1 1 76 76 VAL HG12 H 1 0.581 0.008 . 1 . . . . 223 V QG1 . 11078 1 691 . 1 1 76 76 VAL HG13 H 1 0.581 0.008 . 1 . . . . 223 V QG1 . 11078 1 692 . 1 1 76 76 VAL HG21 H 1 0.481 0.009 . 1 . . . . 223 V QG2 . 11078 1 693 . 1 1 76 76 VAL HG22 H 1 0.481 0.009 . 1 . . . . 223 V QG2 . 11078 1 694 . 1 1 76 76 VAL HG23 H 1 0.481 0.009 . 1 . . . . 223 V QG2 . 11078 1 695 . 1 1 76 76 VAL CA C 13 62.517 0.230 . 1 . . . . 223 V CA . 11078 1 696 . 1 1 76 76 VAL CB C 13 32.484 0.117 . 1 . . . . 223 V CB . 11078 1 697 . 1 1 76 76 VAL CG1 C 13 21.403 0.128 . 2 . . . . 223 V CG1 . 11078 1 698 . 1 1 76 76 VAL CG2 C 13 22.472 0.090 . 2 . . . . 223 V CG2 . 11078 1 699 . 1 1 76 76 VAL N N 15 125.312 0.055 . 1 . . . . 223 V N . 11078 1 700 . 1 1 77 77 SER H H 1 7.125 0.013 . 1 . . . . 224 S HN . 11078 1 701 . 1 1 77 77 SER HA H 1 4.414 0.013 . 1 . . . . 224 S HA . 11078 1 702 . 1 1 77 77 SER HB2 H 1 4.127 0.018 . 2 . . . . 224 S QB . 11078 1 703 . 1 1 77 77 SER CA C 13 57.150 0.131 . 1 . . . . 224 S CA . 11078 1 704 . 1 1 77 77 SER CB C 13 65.065 0.138 . 1 . . . . 224 S CB . 11078 1 705 . 1 1 77 77 SER N N 15 117.151 0.052 . 1 . . . . 224 S N . 11078 1 706 . 1 1 78 78 ASP H H 1 9.531 0.015 . 1 . . . . 225 D HN . 11078 1 707 . 1 1 78 78 ASP HA H 1 4.499 0.007 . 1 . . . . 225 D HA . 11078 1 708 . 1 1 78 78 ASP CA C 13 58.692 0.116 . 1 . . . . 225 D CA . 11078 1 709 . 1 1 78 78 ASP CB C 13 39.462 0.082 . 1 . . . . 225 D CB . 11078 1 710 . 1 1 78 78 ASP N N 15 122.945 0.085 . 1 . . . . 225 D N . 11078 1 711 . 1 1 79 79 ASP H H 1 8.455 0.014 . 1 . . . . 226 D HN . 11078 1 712 . 1 1 79 79 ASP HA H 1 4.335 0.011 . 1 . . . . 226 D HA . 11078 1 713 . 1 1 79 79 ASP HB2 H 1 2.625 0.021 . 2 . . . . 226 D HB2 . 11078 1 714 . 1 1 79 79 ASP HB3 H 1 2.453 0.015 . 2 . . . . 226 D HB3 . 11078 1 715 . 1 1 79 79 ASP CA C 13 57.181 0.094 . 1 . . . . 226 D CA . 11078 1 716 . 1 1 79 79 ASP CB C 13 40.607 0.123 . 1 . . . . 226 D CB . 11078 1 717 . 1 1 79 79 ASP N N 15 119.808 0.102 . 1 . . . . 226 D N . 11078 1 718 . 1 1 80 80 TYR H H 1 8.627 0.010 . 1 . . . . 227 Y HN . 11078 1 719 . 1 1 80 80 TYR HA H 1 4.343 0.008 . 1 . . . . 227 Y HA . 11078 1 720 . 1 1 80 80 TYR HB2 H 1 3.735 0.013 . 2 . . . . 227 Y HB2 . 11078 1 721 . 1 1 80 80 TYR HB3 H 1 3.131 0.017 . 2 . . . . 227 Y HB3 . 11078 1 722 . 1 1 80 80 TYR HD1 H 1 7.105 0.010 . 3 . . . . 227 Y QD . 11078 1 723 . 1 1 80 80 TYR HD2 H 1 7.105 0.010 . 3 . . . . 227 Y QD . 11078 1 724 . 1 1 80 80 TYR HE1 H 1 6.801 0.000 . 3 . . . . 227 Y QE . 11078 1 725 . 1 1 80 80 TYR HE2 H 1 6.801 0.000 . 3 . . . . 227 Y QE . 11078 1 726 . 1 1 80 80 TYR CA C 13 61.686 0.126 . 1 . . . . 227 Y CA . 11078 1 727 . 1 1 80 80 TYR CB C 13 38.865 0.129 . 1 . . . . 227 Y CB . 11078 1 728 . 1 1 80 80 TYR CD1 C 13 133.256 0.000 . 3 . . . . 227 Y CD1 . 11078 1 729 . 1 1 80 80 TYR CE1 C 13 117.762 0.000 . 3 . . . . 227 Y CE1 . 11078 1 730 . 1 1 80 80 TYR N N 15 123.460 0.053 . 1 . . . . 227 Y N . 11078 1 731 . 1 1 81 81 LEU H H 1 7.559 0.014 . 1 . . . . 228 L HN . 11078 1 732 . 1 1 81 81 LEU HA H 1 4.192 0.009 . 1 . . . . 228 L HA . 11078 1 733 . 1 1 81 81 LEU HB2 H 1 1.880 0.010 . 2 . . . . 228 L HB2 . 11078 1 734 . 1 1 81 81 LEU HB3 H 1 1.635 0.010 . 2 . . . . 228 L HB3 . 11078 1 735 . 1 1 81 81 LEU HD11 H 1 0.931 0.006 . 1 . . . . 228 L QD1 . 11078 1 736 . 1 1 81 81 LEU HD12 H 1 0.931 0.006 . 1 . . . . 228 L QD1 . 11078 1 737 . 1 1 81 81 LEU HD13 H 1 0.931 0.006 . 1 . . . . 228 L QD1 . 11078 1 738 . 1 1 81 81 LEU HD21 H 1 0.895 0.006 . 1 . . . . 228 L QD2 . 11078 1 739 . 1 1 81 81 LEU HD22 H 1 0.895 0.006 . 1 . . . . 228 L QD2 . 11078 1 740 . 1 1 81 81 LEU HD23 H 1 0.895 0.006 . 1 . . . . 228 L QD2 . 11078 1 741 . 1 1 81 81 LEU HG H 1 2.175 0.012 . 1 . . . . 228 L HG . 11078 1 742 . 1 1 81 81 LEU CA C 13 56.974 0.060 . 1 . . . . 228 L CA . 11078 1 743 . 1 1 81 81 LEU CB C 13 41.043 0.117 . 1 . . . . 228 L CB . 11078 1 744 . 1 1 81 81 LEU CD1 C 13 23.009 0.085 . 2 . . . . 228 L CD1 . 11078 1 745 . 1 1 81 81 LEU CD2 C 13 26.991 0.066 . 2 . . . . 228 L CD2 . 11078 1 746 . 1 1 81 81 LEU CG C 13 27.086 0.091 . 1 . . . . 228 L CG . 11078 1 747 . 1 1 81 81 LEU N N 15 117.119 0.060 . 1 . . . . 228 L N . 11078 1 748 . 1 1 82 82 GLN H H 1 7.134 0.014 . 1 . . . . 229 Q HN . 11078 1 749 . 1 1 82 82 GLN HA H 1 4.651 0.015 . 1 . . . . 229 Q HA . 11078 1 750 . 1 1 82 82 GLN HB2 H 1 2.205 0.006 . 2 . . . . 229 Q HB2 . 11078 1 751 . 1 1 82 82 GLN HB3 H 1 2.034 0.009 . 2 . . . . 229 Q HB3 . 11078 1 752 . 1 1 82 82 GLN HE21 H 1 6.903 0.000 . 2 . . . . 229 Q HE21 . 11078 1 753 . 1 1 82 82 GLN HE22 H 1 7.530 0.001 . 2 . . . . 229 Q HE22 . 11078 1 754 . 1 1 82 82 GLN HG2 H 1 2.355 0.008 . 2 . . . . 229 Q QG . 11078 1 755 . 1 1 82 82 GLN CA C 13 54.475 0.063 . 1 . . . . 229 Q CA . 11078 1 756 . 1 1 82 82 GLN CB C 13 29.748 0.107 . 1 . . . . 229 Q CB . 11078 1 757 . 1 1 82 82 GLN CG C 13 34.046 0.102 . 1 . . . . 229 Q CG . 11078 1 758 . 1 1 82 82 GLN N N 15 114.417 0.067 . 1 . . . . 229 Q N . 11078 1 759 . 1 1 82 82 GLN NE2 N 15 112.140 0.038 . 1 . . . . 229 Q NE2 . 11078 1 760 . 1 1 83 83 SER H H 1 7.762 0.014 . 1 . . . . 230 S HN . 11078 1 761 . 1 1 83 83 SER HA H 1 4.593 0.015 . 1 . . . . 230 S HA . 11078 1 762 . 1 1 83 83 SER HB2 H 1 4.018 0.012 . 2 . . . . 230 S QB . 11078 1 763 . 1 1 83 83 SER CA C 13 58.767 0.167 . 1 . . . . 230 S CA . 11078 1 764 . 1 1 83 83 SER CB C 13 66.992 0.163 . 1 . . . . 230 S CB . 11078 1 765 . 1 1 83 83 SER N N 15 117.045 0.053 . 1 . . . . 230 S N . 11078 1 766 . 1 1 84 84 LYS H H 1 9.134 0.015 . 1 . . . . 231 K HN . 11078 1 767 . 1 1 84 84 LYS HA H 1 4.182 0.011 . 1 . . . . 231 K HA . 11078 1 768 . 1 1 84 84 LYS HB2 H 1 1.853 0.010 . 2 . . . . 231 K HB2 . 11078 1 769 . 1 1 84 84 LYS HB3 H 1 1.802 0.003 . 2 . . . . 231 K HB3 . 11078 1 770 . 1 1 84 84 LYS HD2 H 1 1.671 0.008 . 2 . . . . 231 K QD . 11078 1 771 . 1 1 84 84 LYS HE2 H 1 2.960 0.021 . 2 . . . . 231 K QE . 11078 1 772 . 1 1 84 84 LYS HG2 H 1 1.525 0.010 . 2 . . . . 231 K HG2 . 11078 1 773 . 1 1 84 84 LYS HG3 H 1 1.421 0.008 . 2 . . . . 231 K HG3 . 11078 1 774 . 1 1 84 84 LYS CA C 13 58.367 0.142 . 1 . . . . 231 K CA . 11078 1 775 . 1 1 84 84 LYS CB C 13 31.638 0.116 . 1 . . . . 231 K CB . 11078 1 776 . 1 1 84 84 LYS CD C 13 29.053 0.009 . 1 . . . . 231 K CD . 11078 1 777 . 1 1 84 84 LYS CE C 13 42.082 0.022 . 1 . . . . 231 K CE . 11078 1 778 . 1 1 84 84 LYS CG C 13 24.732 0.118 . 1 . . . . 231 K CG . 11078 1 779 . 1 1 84 84 LYS N N 15 123.139 0.071 . 1 . . . . 231 K N . 11078 1 780 . 1 1 85 85 GLU H H 1 9.367 0.012 . 1 . . . . 232 E HN . 11078 1 781 . 1 1 85 85 GLU HA H 1 3.973 0.019 . 1 . . . . 232 E HA . 11078 1 782 . 1 1 85 85 GLU CA C 13 62.269 0.154 . 1 . . . . 232 E CA . 11078 1 783 . 1 1 85 85 GLU CB C 13 27.242 0.069 . 1 . . . . 232 E CB . 11078 1 784 . 1 1 85 85 GLU CG C 13 38.377 0.000 . 1 . . . . 232 E CG . 11078 1 785 . 1 1 85 85 GLU N N 15 124.392 0.080 . 1 . . . . 232 E N . 11078 1 786 . 1 1 86 86 CYS H H 1 7.512 0.011 . 1 . . . . 233 C HN . 11078 1 787 . 1 1 86 86 CYS HA H 1 4.167 0.011 . 1 . . . . 233 C HA . 11078 1 788 . 1 1 86 86 CYS HB2 H 1 2.533 0.018 . 2 . . . . 233 C QB . 11078 1 789 . 1 1 86 86 CYS CA C 13 60.807 0.116 . 1 . . . . 233 C CA . 11078 1 790 . 1 1 86 86 CYS CB C 13 25.961 0.135 . 1 . . . . 233 C CB . 11078 1 791 . 1 1 86 86 CYS N N 15 120.577 0.065 . 1 . . . . 233 C N . 11078 1 792 . 1 1 87 87 ASP H H 1 7.363 0.013 . 1 . . . . 234 D HN . 11078 1 793 . 1 1 87 87 ASP HA H 1 4.344 0.019 . 1 . . . . 234 D HA . 11078 1 794 . 1 1 87 87 ASP HB2 H 1 2.780 0.009 . 2 . . . . 234 D QB . 11078 1 795 . 1 1 87 87 ASP CA C 13 58.182 0.097 . 1 . . . . 234 D CA . 11078 1 796 . 1 1 87 87 ASP CB C 13 40.692 0.109 . 1 . . . . 234 D CB . 11078 1 797 . 1 1 87 87 ASP N N 15 123.072 0.067 . 1 . . . . 234 D N . 11078 1 798 . 1 1 88 88 PHE H H 1 7.852 0.010 . 1 . . . . 235 F HN . 11078 1 799 . 1 1 88 88 PHE HA H 1 4.189 0.008 . 1 . . . . 235 F HA . 11078 1 800 . 1 1 88 88 PHE HB2 H 1 3.397 0.011 . 2 . . . . 235 F HB2 . 11078 1 801 . 1 1 88 88 PHE HB3 H 1 3.174 0.008 . 2 . . . . 235 F HB3 . 11078 1 802 . 1 1 88 88 PHE CA C 13 61.140 0.082 . 1 . . . . 235 F CA . 11078 1 803 . 1 1 88 88 PHE CB C 13 38.207 0.084 . 1 . . . . 235 F CB . 11078 1 804 . 1 1 88 88 PHE N N 15 119.984 0.059 . 1 . . . . 235 F N . 11078 1 805 . 1 1 89 89 GLN H H 1 8.498 0.011 . 1 . . . . 236 Q HN . 11078 1 806 . 1 1 89 89 GLN HA H 1 4.221 0.018 . 1 . . . . 236 Q HA . 11078 1 807 . 1 1 89 89 GLN HB2 H 1 2.881 0.014 . 2 . . . . 236 Q HB2 . 11078 1 808 . 1 1 89 89 GLN HB3 H 1 2.373 0.003 . 2 . . . . 236 Q HB3 . 11078 1 809 . 1 1 89 89 GLN HE21 H 1 5.938 0.004 . 2 . . . . 236 Q HE21 . 11078 1 810 . 1 1 89 89 GLN HE22 H 1 6.341 0.005 . 2 . . . . 236 Q HE22 . 11078 1 811 . 1 1 89 89 GLN HG3 H 1 2.327 0.000 . 2 . . . . 236 Q HG3 . 11078 1 812 . 1 1 89 89 GLN CA C 13 59.477 0.228 . 1 . . . . 236 Q CA . 11078 1 813 . 1 1 89 89 GLN CB C 13 29.308 0.162 . 1 . . . . 236 Q CB . 11078 1 814 . 1 1 89 89 GLN CG C 13 33.673 0.000 . 1 . . . . 236 Q CG . 11078 1 815 . 1 1 89 89 GLN N N 15 121.890 0.096 . 1 . . . . 236 Q N . 11078 1 816 . 1 1 89 89 GLN NE2 N 15 106.678 0.087 . 1 . . . . 236 Q NE2 . 11078 1 817 . 1 1 90 90 THR H H 1 8.937 0.014 . 1 . . . . 237 T HN . 11078 1 818 . 1 1 90 90 THR HA H 1 3.637 0.007 . 1 . . . . 237 T HA . 11078 1 819 . 1 1 90 90 THR HB H 1 4.386 0.007 . 1 . . . . 237 T HB . 11078 1 820 . 1 1 90 90 THR HG21 H 1 1.170 0.008 . 1 . . . . 237 T QG2 . 11078 1 821 . 1 1 90 90 THR HG22 H 1 1.170 0.008 . 1 . . . . 237 T QG2 . 11078 1 822 . 1 1 90 90 THR HG23 H 1 1.170 0.008 . 1 . . . . 237 T QG2 . 11078 1 823 . 1 1 90 90 THR CA C 13 67.742 0.070 . 1 . . . . 237 T CA . 11078 1 824 . 1 1 90 90 THR CB C 13 68.758 0.244 . 1 . . . . 237 T CB . 11078 1 825 . 1 1 90 90 THR CG2 C 13 20.913 0.084 . 1 . . . . 237 T CG2 . 11078 1 826 . 1 1 90 90 THR N N 15 121.200 0.084 . 1 . . . . 237 T N . 11078 1 827 . 1 1 91 91 LYS H H 1 7.678 0.015 . 1 . . . . 238 K HN . 11078 1 828 . 1 1 91 91 LYS HA H 1 3.810 0.008 . 1 . . . . 238 K HA . 11078 1 829 . 1 1 91 91 LYS HB2 H 1 1.769 0.009 . 2 . . . . 238 K QB . 11078 1 830 . 1 1 91 91 LYS HE2 H 1 2.907 0.007 . 2 . . . . 238 K QE . 11078 1 831 . 1 1 91 91 LYS HG2 H 1 1.477 0.008 . 2 . . . . 238 K HG2 . 11078 1 832 . 1 1 91 91 LYS HG3 H 1 1.317 0.012 . 2 . . . . 238 K HG3 . 11078 1 833 . 1 1 91 91 LYS CA C 13 60.138 0.102 . 1 . . . . 238 K CA . 11078 1 834 . 1 1 91 91 LYS CB C 13 31.956 0.105 . 1 . . . . 238 K CB . 11078 1 835 . 1 1 91 91 LYS CD C 13 29.078 0.099 . 1 . . . . 238 K CD . 11078 1 836 . 1 1 91 91 LYS CE C 13 42.051 0.089 . 1 . . . . 238 K CE . 11078 1 837 . 1 1 91 91 LYS CG C 13 25.674 0.056 . 1 . . . . 238 K CG . 11078 1 838 . 1 1 91 91 LYS N N 15 121.818 0.056 . 1 . . . . 238 K N . 11078 1 839 . 1 1 92 92 PHE H H 1 8.257 0.014 . 1 . . . . 239 F HN . 11078 1 840 . 1 1 92 92 PHE HA H 1 3.884 0.010 . 1 . . . . 239 F HA . 11078 1 841 . 1 1 92 92 PHE HB2 H 1 2.901 0.010 . 2 . . . . 239 F HB2 . 11078 1 842 . 1 1 92 92 PHE HB3 H 1 2.462 0.009 . 2 . . . . 239 F HB3 . 11078 1 843 . 1 1 92 92 PHE HD1 H 1 6.997 0.002 . 3 . . . . 239 F QD . 11078 1 844 . 1 1 92 92 PHE HD2 H 1 6.997 0.002 . 3 . . . . 239 F QD . 11078 1 845 . 1 1 92 92 PHE CA C 13 60.566 0.082 . 1 . . . . 239 F CA . 11078 1 846 . 1 1 92 92 PHE CB C 13 38.684 0.086 . 1 . . . . 239 F CB . 11078 1 847 . 1 1 92 92 PHE N N 15 120.545 0.062 . 1 . . . . 239 F N . 11078 1 848 . 1 1 93 93 ALA H H 1 8.535 0.011 . 1 . . . . 240 A HN . 11078 1 849 . 1 1 93 93 ALA HA H 1 3.762 0.009 . 1 . . . . 240 A HA . 11078 1 850 . 1 1 93 93 ALA HB1 H 1 1.425 0.008 . 1 . . . . 240 A QB . 11078 1 851 . 1 1 93 93 ALA HB2 H 1 1.425 0.008 . 1 . . . . 240 A QB . 11078 1 852 . 1 1 93 93 ALA HB3 H 1 1.425 0.008 . 1 . . . . 240 A QB . 11078 1 853 . 1 1 93 93 ALA CA C 13 54.829 0.092 . 1 . . . . 240 A CA . 11078 1 854 . 1 1 93 93 ALA CB C 13 18.929 0.117 . 1 . . . . 240 A CB . 11078 1 855 . 1 1 93 93 ALA N N 15 121.575 0.058 . 1 . . . . 240 A N . 11078 1 856 . 1 1 94 94 LEU H H 1 8.209 0.012 . 1 . . . . 241 L HN . 11078 1 857 . 1 1 94 94 LEU HA H 1 4.149 0.008 . 1 . . . . 241 L HA . 11078 1 858 . 1 1 94 94 LEU HB2 H 1 1.775 0.006 . 2 . . . . 241 L HB2 . 11078 1 859 . 1 1 94 94 LEU HB3 H 1 1.492 0.011 . 2 . . . . 241 L HB3 . 11078 1 860 . 1 1 94 94 LEU HD11 H 1 0.834 0.014 . 1 . . . . 241 L QD1 . 11078 1 861 . 1 1 94 94 LEU HD12 H 1 0.834 0.014 . 1 . . . . 241 L QD1 . 11078 1 862 . 1 1 94 94 LEU HD13 H 1 0.834 0.014 . 1 . . . . 241 L QD1 . 11078 1 863 . 1 1 94 94 LEU HD21 H 1 0.801 0.007 . 1 . . . . 241 L QD2 . 11078 1 864 . 1 1 94 94 LEU HD22 H 1 0.801 0.007 . 1 . . . . 241 L QD2 . 11078 1 865 . 1 1 94 94 LEU HD23 H 1 0.801 0.007 . 1 . . . . 241 L QD2 . 11078 1 866 . 1 1 94 94 LEU HG H 1 1.766 0.007 . 1 . . . . 241 L HG . 11078 1 867 . 1 1 94 94 LEU CA C 13 56.929 0.106 . 1 . . . . 241 L CA . 11078 1 868 . 1 1 94 94 LEU CB C 13 41.945 0.048 . 1 . . . . 241 L CB . 11078 1 869 . 1 1 94 94 LEU CD1 C 13 22.809 0.045 . 2 . . . . 241 L CD1 . 11078 1 870 . 1 1 94 94 LEU CD2 C 13 25.419 0.080 . 2 . . . . 241 L CD2 . 11078 1 871 . 1 1 94 94 LEU CG C 13 26.824 0.146 . 1 . . . . 241 L CG . 11078 1 872 . 1 1 94 94 LEU N N 15 117.702 0.052 . 1 . . . . 241 L N . 11078 1 873 . 1 1 95 95 SER H H 1 7.436 0.015 . 1 . . . . 242 S HN . 11078 1 874 . 1 1 95 95 SER HA H 1 4.327 0.006 . 1 . . . . 242 S HA . 11078 1 875 . 1 1 95 95 SER CA C 13 59.172 0.073 . 1 . . . . 242 S CA . 11078 1 876 . 1 1 95 95 SER CB C 13 63.887 0.113 . 1 . . . . 242 S CB . 11078 1 877 . 1 1 95 95 SER N N 15 113.629 0.056 . 1 . . . . 242 S N . 11078 1 878 . 1 1 96 96 LEU H H 1 7.032 0.013 . 1 . . . . 243 L HN . 11078 1 879 . 1 1 96 96 LEU HA H 1 4.213 0.006 . 1 . . . . 243 L HA . 11078 1 880 . 1 1 96 96 LEU HB2 H 1 1.566 0.011 . 2 . . . . 243 L HB2 . 11078 1 881 . 1 1 96 96 LEU HB3 H 1 1.254 0.013 . 2 . . . . 243 L HB3 . 11078 1 882 . 1 1 96 96 LEU HD11 H 1 0.525 0.006 . 1 . . . . 243 L QD1 . 11078 1 883 . 1 1 96 96 LEU HD12 H 1 0.525 0.006 . 1 . . . . 243 L QD1 . 11078 1 884 . 1 1 96 96 LEU HD13 H 1 0.525 0.006 . 1 . . . . 243 L QD1 . 11078 1 885 . 1 1 96 96 LEU HD21 H 1 0.403 0.007 . 1 . . . . 243 L QD2 . 11078 1 886 . 1 1 96 96 LEU HD22 H 1 0.403 0.007 . 1 . . . . 243 L QD2 . 11078 1 887 . 1 1 96 96 LEU HD23 H 1 0.403 0.007 . 1 . . . . 243 L QD2 . 11078 1 888 . 1 1 96 96 LEU HG H 1 1.609 0.005 . 1 . . . . 243 L HG . 11078 1 889 . 1 1 96 96 LEU CA C 13 53.848 0.153 . 1 . . . . 243 L CA . 11078 1 890 . 1 1 96 96 LEU CB C 13 42.373 0.063 . 1 . . . . 243 L CB . 11078 1 891 . 1 1 96 96 LEU CD1 C 13 25.791 0.075 . 2 . . . . 243 L CD1 . 11078 1 892 . 1 1 96 96 LEU CD2 C 13 21.883 0.043 . 2 . . . . 243 L CD2 . 11078 1 893 . 1 1 96 96 LEU CG C 13 25.580 0.033 . 1 . . . . 243 L CG . 11078 1 894 . 1 1 96 96 LEU N N 15 121.432 0.050 . 1 . . . . 243 L N . 11078 1 895 . 1 1 97 97 SER H H 1 8.375 0.013 . 1 . . . . 244 S HN . 11078 1 896 . 1 1 97 97 SER HA H 1 4.546 0.007 . 1 . . . . 244 S HA . 11078 1 897 . 1 1 97 97 SER HB2 H 1 3.880 0.007 . 2 . . . . 244 S QB . 11078 1 898 . 1 1 97 97 SER CA C 13 57.304 0.097 . 1 . . . . 244 S CA . 11078 1 899 . 1 1 97 97 SER CB C 13 62.404 0.163 . 1 . . . . 244 S CB . 11078 1 900 . 1 1 97 97 SER N N 15 118.023 0.073 . 1 . . . . 244 S N . 11078 1 901 . 1 1 98 98 PRO HA H 1 4.160 0.008 . 1 . . . . 245 P HA . 11078 1 902 . 1 1 98 98 PRO HB2 H 1 2.266 0.016 . 2 . . . . 245 P HB2 . 11078 1 903 . 1 1 98 98 PRO HB3 H 1 1.854 0.009 . 2 . . . . 245 P HB3 . 11078 1 904 . 1 1 98 98 PRO HD2 H 1 3.844 0.013 . 2 . . . . 245 P HD2 . 11078 1 905 . 1 1 98 98 PRO HD3 H 1 3.603 0.014 . 2 . . . . 245 P HD3 . 11078 1 906 . 1 1 98 98 PRO HG2 H 1 1.983 0.016 . 2 . . . . 245 P QG . 11078 1 907 . 1 1 98 98 PRO CA C 13 65.231 0.095 . 1 . . . . 245 P CA . 11078 1 908 . 1 1 98 98 PRO CB C 13 31.926 0.132 . 1 . . . . 245 P CB . 11078 1 909 . 1 1 98 98 PRO CD C 13 50.370 0.073 . 1 . . . . 245 P CD . 11078 1 910 . 1 1 98 98 PRO CG C 13 27.504 0.040 . 1 . . . . 245 P CG . 11078 1 911 . 1 1 99 99 GLY H H 1 9.014 0.010 . 1 . . . . 246 G HN . 11078 1 912 . 1 1 99 99 GLY HA2 H 1 4.127 0.010 . 2 . . . . 246 G HA2 . 11078 1 913 . 1 1 99 99 GLY HA3 H 1 3.832 0.016 . 2 . . . . 246 G HA3 . 11078 1 914 . 1 1 99 99 GLY CA C 13 45.810 0.089 . 1 . . . . 246 G CA . 11078 1 915 . 1 1 99 99 GLY N N 15 111.102 0.101 . 1 . . . . 246 G N . 11078 1 916 . 1 1 100 100 ALA H H 1 8.261 0.014 . 1 . . . . 247 A HN . 11078 1 917 . 1 1 100 100 ALA HA H 1 4.321 0.008 . 1 . . . . 247 A HA . 11078 1 918 . 1 1 100 100 ALA HB1 H 1 1.453 0.007 . 1 . . . . 247 A QB . 11078 1 919 . 1 1 100 100 ALA HB2 H 1 1.453 0.007 . 1 . . . . 247 A QB . 11078 1 920 . 1 1 100 100 ALA HB3 H 1 1.453 0.007 . 1 . . . . 247 A QB . 11078 1 921 . 1 1 100 100 ALA CA C 13 53.741 0.080 . 1 . . . . 247 A CA . 11078 1 922 . 1 1 100 100 ALA CB C 13 19.961 0.158 . 1 . . . . 247 A CB . 11078 1 923 . 1 1 100 100 ALA N N 15 122.695 0.037 . 1 . . . . 247 A N . 11078 1 924 . 1 1 101 101 HIS H H 1 8.616 0.017 . 1 . . . . 248 H HN . 11078 1 925 . 1 1 101 101 HIS HA H 1 4.004 0.008 . 1 . . . . 248 H HA . 11078 1 926 . 1 1 101 101 HIS HB2 H 1 3.157 0.010 . 2 . . . . 248 H QB . 11078 1 927 . 1 1 101 101 HIS CA C 13 60.517 0.108 . 1 . . . . 248 H CA . 11078 1 928 . 1 1 101 101 HIS CB C 13 30.048 0.163 . 1 . . . . 248 H CB . 11078 1 929 . 1 1 101 101 HIS N N 15 118.682 0.085 . 1 . . . . 248 H N . 11078 1 930 . 1 1 102 102 GLN H H 1 8.091 0.010 . 1 . . . . 249 Q HN . 11078 1 931 . 1 1 102 102 GLN HA H 1 4.086 0.011 . 1 . . . . 249 Q HA . 11078 1 932 . 1 1 102 102 GLN HB2 H 1 2.117 0.007 . 2 . . . . 249 Q QB . 11078 1 933 . 1 1 102 102 GLN HE21 H 1 6.993 0.004 . 2 . . . . 249 Q HE21 . 11078 1 934 . 1 1 102 102 GLN HE22 H 1 7.574 0.000 . 2 . . . . 249 Q HE22 . 11078 1 935 . 1 1 102 102 GLN HG2 H 1 2.414 0.010 . 2 . . . . 249 Q HG2 . 11078 1 936 . 1 1 102 102 GLN HG3 H 1 2.322 0.011 . 2 . . . . 249 Q HG3 . 11078 1 937 . 1 1 102 102 GLN CA C 13 57.889 0.098 . 1 . . . . 249 Q CA . 11078 1 938 . 1 1 102 102 GLN CB C 13 28.413 0.095 . 1 . . . . 249 Q CB . 11078 1 939 . 1 1 102 102 GLN CG C 13 34.159 0.054 . 1 . . . . 249 Q CG . 11078 1 940 . 1 1 102 102 GLN N N 15 114.346 0.047 . 1 . . . . 249 Q N . 11078 1 941 . 1 1 102 102 GLN NE2 N 15 112.130 0.085 . 1 . . . . 249 Q NE2 . 11078 1 942 . 1 1 103 103 LYS H H 1 7.375 0.020 . 1 . . . . 250 K HN . 11078 1 943 . 1 1 103 103 LYS HA H 1 4.429 0.011 . 1 . . . . 250 K HA . 11078 1 944 . 1 1 103 103 LYS HB2 H 1 1.991 0.012 . 2 . . . . 250 K HB2 . 11078 1 945 . 1 1 103 103 LYS HB3 H 1 1.911 0.022 . 2 . . . . 250 K HB3 . 11078 1 946 . 1 1 103 103 LYS HD2 H 1 1.666 0.006 . 2 . . . . 250 K QD . 11078 1 947 . 1 1 103 103 LYS HE2 H 1 2.951 0.006 . 2 . . . . 250 K QE . 11078 1 948 . 1 1 103 103 LYS HG2 H 1 1.543 0.010 . 2 . . . . 250 K HG2 . 11078 1 949 . 1 1 103 103 LYS HG3 H 1 1.427 0.009 . 2 . . . . 250 K HG3 . 11078 1 950 . 1 1 103 103 LYS CA C 13 57.254 0.053 . 1 . . . . 250 K CA . 11078 1 951 . 1 1 103 103 LYS CB C 13 33.694 0.058 . 1 . . . . 250 K CB . 11078 1 952 . 1 1 103 103 LYS CD C 13 29.059 0.025 . 1 . . . . 250 K CD . 11078 1 953 . 1 1 103 103 LYS CE C 13 42.029 0.061 . 1 . . . . 250 K CE . 11078 1 954 . 1 1 103 103 LYS CG C 13 25.296 0.091 . 1 . . . . 250 K CG . 11078 1 955 . 1 1 103 103 LYS N N 15 116.054 0.043 . 1 . . . . 250 K N . 11078 1 956 . 1 1 104 104 ARG H H 1 7.924 0.012 . 1 . . . . 251 R HN . 11078 1 957 . 1 1 104 104 ARG HA H 1 4.676 0.009 . 1 . . . . 251 R HA . 11078 1 958 . 1 1 104 104 ARG HB2 H 1 2.368 0.008 . 2 . . . . 251 R QB . 11078 1 959 . 1 1 104 104 ARG HD2 H 1 3.065 0.014 . 2 . . . . 251 R QD . 11078 1 960 . 1 1 104 104 ARG HG2 H 1 2.094 0.012 . 2 . . . . 251 R HG2 . 11078 1 961 . 1 1 104 104 ARG HG3 H 1 1.647 0.006 . 2 . . . . 251 R HG3 . 11078 1 962 . 1 1 104 104 ARG CA C 13 56.927 0.063 . 1 . . . . 251 R CA . 11078 1 963 . 1 1 104 104 ARG CB C 13 32.221 0.057 . 1 . . . . 251 R CB . 11078 1 964 . 1 1 104 104 ARG CD C 13 43.412 0.002 . 1 . . . . 251 R CD . 11078 1 965 . 1 1 104 104 ARG N N 15 113.656 0.084 . 1 . . . . 251 R N . 11078 1 966 . 1 1 105 105 LEU H H 1 7.732 0.012 . 1 . . . . 252 L HN . 11078 1 967 . 1 1 105 105 LEU HA H 1 5.361 0.010 . 1 . . . . 252 L HA . 11078 1 968 . 1 1 105 105 LEU HB2 H 1 2.107 0.009 . 2 . . . . 252 L HB2 . 11078 1 969 . 1 1 105 105 LEU HB3 H 1 1.060 0.007 . 2 . . . . 252 L HB3 . 11078 1 970 . 1 1 105 105 LEU HD11 H 1 0.959 0.009 . 1 . . . . 252 L QD1 . 11078 1 971 . 1 1 105 105 LEU HD12 H 1 0.959 0.009 . 1 . . . . 252 L QD1 . 11078 1 972 . 1 1 105 105 LEU HD13 H 1 0.959 0.009 . 1 . . . . 252 L QD1 . 11078 1 973 . 1 1 105 105 LEU HD21 H 1 0.883 0.008 . 1 . . . . 252 L QD2 . 11078 1 974 . 1 1 105 105 LEU HD22 H 1 0.883 0.008 . 1 . . . . 252 L QD2 . 11078 1 975 . 1 1 105 105 LEU HD23 H 1 0.883 0.008 . 1 . . . . 252 L QD2 . 11078 1 976 . 1 1 105 105 LEU HG H 1 1.778 0.030 . 1 . . . . 252 L HG . 11078 1 977 . 1 1 105 105 LEU CA C 13 54.046 0.120 . 1 . . . . 252 L CA . 11078 1 978 . 1 1 105 105 LEU CB C 13 44.569 0.061 . 1 . . . . 252 L CB . 11078 1 979 . 1 1 105 105 LEU CD1 C 13 25.292 0.070 . 2 . . . . 252 L CD1 . 11078 1 980 . 1 1 105 105 LEU CD2 C 13 25.897 0.088 . 2 . . . . 252 L CD2 . 11078 1 981 . 1 1 105 105 LEU CG C 13 27.840 0.052 . 1 . . . . 252 L CG . 11078 1 982 . 1 1 105 105 LEU N N 15 118.532 0.085 . 1 . . . . 252 L N . 11078 1 983 . 1 1 106 106 ILE H H 1 8.690 0.011 . 1 . . . . 253 I HN . 11078 1 984 . 1 1 106 106 ILE HA H 1 4.642 0.009 . 1 . . . . 253 I HA . 11078 1 985 . 1 1 106 106 ILE HB H 1 1.820 0.002 . 1 . . . . 253 I HB . 11078 1 986 . 1 1 106 106 ILE HD11 H 1 0.652 0.009 . 1 . . . . 253 I QD1 . 11078 1 987 . 1 1 106 106 ILE HD12 H 1 0.652 0.009 . 1 . . . . 253 I QD1 . 11078 1 988 . 1 1 106 106 ILE HD13 H 1 0.652 0.009 . 1 . . . . 253 I QD1 . 11078 1 989 . 1 1 106 106 ILE HG12 H 1 1.237 0.009 . 2 . . . . 253 I HG12 . 11078 1 990 . 1 1 106 106 ILE HG13 H 1 1.063 0.008 . 2 . . . . 253 I HG13 . 11078 1 991 . 1 1 106 106 ILE HG21 H 1 0.785 0.013 . 1 . . . . 253 I QG2 . 11078 1 992 . 1 1 106 106 ILE HG22 H 1 0.785 0.013 . 1 . . . . 253 I QG2 . 11078 1 993 . 1 1 106 106 ILE HG23 H 1 0.785 0.013 . 1 . . . . 253 I QG2 . 11078 1 994 . 1 1 106 106 ILE CA C 13 57.879 0.109 . 1 . . . . 253 I CA . 11078 1 995 . 1 1 106 106 ILE CB C 13 44.567 0.000 . 1 . . . . 253 I CB . 11078 1 996 . 1 1 106 106 ILE CD1 C 13 12.944 0.045 . 1 . . . . 253 I CD1 . 11078 1 997 . 1 1 106 106 ILE CG1 C 13 26.672 0.053 . 1 . . . . 253 I CG1 . 11078 1 998 . 1 1 106 106 ILE CG2 C 13 17.171 0.075 . 1 . . . . 253 I CG2 . 11078 1 999 . 1 1 106 106 ILE N N 15 120.717 0.089 . 1 . . . . 253 I N . 11078 1 1000 . 1 1 107 107 PRO HA H 1 5.375 0.008 . 1 . . . . 254 P HA . 11078 1 1001 . 1 1 107 107 PRO HB2 H 1 1.987 0.014 . 2 . . . . 254 P QB . 11078 1 1002 . 1 1 107 107 PRO HD2 H 1 4.166 0.009 . 2 . . . . 254 P HD2 . 11078 1 1003 . 1 1 107 107 PRO HD3 H 1 3.698 0.013 . 2 . . . . 254 P HD3 . 11078 1 1004 . 1 1 107 107 PRO HG2 H 1 2.261 0.012 . 2 . . . . 254 P HG2 . 11078 1 1005 . 1 1 107 107 PRO HG3 H 1 1.675 0.016 . 2 . . . . 254 P HG3 . 11078 1 1006 . 1 1 107 107 PRO CA C 13 60.887 0.114 . 1 . . . . 254 P CA . 11078 1 1007 . 1 1 107 107 PRO CB C 13 32.316 0.090 . 1 . . . . 254 P CB . 11078 1 1008 . 1 1 107 107 PRO CD C 13 50.969 0.052 . 1 . . . . 254 P CD . 11078 1 1009 . 1 1 107 107 PRO CG C 13 27.867 0.118 . 1 . . . . 254 P CG . 11078 1 1010 . 1 1 108 108 ILE H H 1 9.429 0.010 . 1 . . . . 255 I HN . 11078 1 1011 . 1 1 108 108 ILE HA H 1 5.161 0.022 . 1 . . . . 255 I HA . 11078 1 1012 . 1 1 108 108 ILE HB H 1 1.784 0.010 . 1 . . . . 255 I HB . 11078 1 1013 . 1 1 108 108 ILE HD11 H 1 0.981 0.011 . 1 . . . . 255 I QD1 . 11078 1 1014 . 1 1 108 108 ILE HD12 H 1 0.981 0.011 . 1 . . . . 255 I QD1 . 11078 1 1015 . 1 1 108 108 ILE HD13 H 1 0.981 0.011 . 1 . . . . 255 I QD1 . 11078 1 1016 . 1 1 108 108 ILE HG12 H 1 1.726 0.009 . 2 . . . . 255 I HG12 . 11078 1 1017 . 1 1 108 108 ILE HG13 H 1 1.196 0.008 . 2 . . . . 255 I HG13 . 11078 1 1018 . 1 1 108 108 ILE HG21 H 1 1.026 0.008 . 1 . . . . 255 I QG2 . 11078 1 1019 . 1 1 108 108 ILE HG22 H 1 1.026 0.008 . 1 . . . . 255 I QG2 . 11078 1 1020 . 1 1 108 108 ILE HG23 H 1 1.026 0.008 . 1 . . . . 255 I QG2 . 11078 1 1021 . 1 1 108 108 ILE CA C 13 59.583 0.141 . 1 . . . . 255 I CA . 11078 1 1022 . 1 1 108 108 ILE CB C 13 41.757 0.145 . 1 . . . . 255 I CB . 11078 1 1023 . 1 1 108 108 ILE CD1 C 13 15.663 0.074 . 1 . . . . 255 I CD1 . 11078 1 1024 . 1 1 108 108 ILE CG1 C 13 27.635 0.078 . 1 . . . . 255 I CG1 . 11078 1 1025 . 1 1 108 108 ILE CG2 C 13 17.339 0.062 . 1 . . . . 255 I CG2 . 11078 1 1026 . 1 1 108 108 ILE N N 15 123.823 0.042 . 1 . . . . 255 I N . 11078 1 1027 . 1 1 109 109 LYS H H 1 8.178 0.015 . 1 . . . . 256 K HN . 11078 1 1028 . 1 1 109 109 LYS HA H 1 4.836 0.010 . 1 . . . . 256 K HA . 11078 1 1029 . 1 1 109 109 LYS HB2 H 1 1.654 0.020 . 2 . . . . 256 K QB . 11078 1 1030 . 1 1 109 109 LYS HD2 H 1 1.581 0.012 . 2 . . . . 256 K HD2 . 11078 1 1031 . 1 1 109 109 LYS HD3 H 1 1.454 0.002 . 2 . . . . 256 K HD3 . 11078 1 1032 . 1 1 109 109 LYS HG2 H 1 1.512 0.006 . 2 . . . . 256 K HG2 . 11078 1 1033 . 1 1 109 109 LYS HG3 H 1 1.117 0.008 . 2 . . . . 256 K HG3 . 11078 1 1034 . 1 1 109 109 LYS CA C 13 54.599 0.085 . 1 . . . . 256 K CA . 11078 1 1035 . 1 1 109 109 LYS CB C 13 37.107 0.160 . 1 . . . . 256 K CB . 11078 1 1036 . 1 1 109 109 LYS CD C 13 30.341 0.045 . 1 . . . . 256 K CD . 11078 1 1037 . 1 1 109 109 LYS CE C 13 42.063 0.021 . 1 . . . . 256 K CE . 11078 1 1038 . 1 1 109 109 LYS CG C 13 25.905 0.094 . 1 . . . . 256 K CG . 11078 1 1039 . 1 1 109 109 LYS N N 15 126.508 0.080 . 1 . . . . 256 K N . 11078 1 1040 . 1 1 110 110 TYR H H 1 8.742 0.011 . 1 . . . . 257 Y HN . 11078 1 1041 . 1 1 110 110 TYR HA H 1 4.825 0.032 . 1 . . . . 257 Y HA . 11078 1 1042 . 1 1 110 110 TYR HB2 H 1 2.441 0.010 . 2 . . . . 257 Y HB2 . 11078 1 1043 . 1 1 110 110 TYR HB3 H 1 1.332 0.011 . 2 . . . . 257 Y HB3 . 11078 1 1044 . 1 1 110 110 TYR HE1 H 1 6.480 0.013 . 3 . . . . 257 Y QE . 11078 1 1045 . 1 1 110 110 TYR HE2 H 1 6.480 0.013 . 3 . . . . 257 Y QE . 11078 1 1046 . 1 1 110 110 TYR CA C 13 56.416 0.102 . 1 . . . . 257 Y CA . 11078 1 1047 . 1 1 110 110 TYR CB C 13 40.879 0.179 . 1 . . . . 257 Y CB . 11078 1 1048 . 1 1 110 110 TYR CE1 C 13 117.309 0.000 . 3 . . . . 257 Y CE1 . 11078 1 1049 . 1 1 110 110 TYR N N 15 123.265 0.083 . 1 . . . . 257 Y N . 11078 1 1050 . 1 1 111 111 LYS H H 1 7.512 0.014 . 1 . . . . 258 K HN . 11078 1 1051 . 1 1 111 111 LYS HA H 1 4.218 0.008 . 1 . . . . 258 K HA . 11078 1 1052 . 1 1 111 111 LYS HB2 H 1 1.430 0.005 . 2 . . . . 258 K HB2 . 11078 1 1053 . 1 1 111 111 LYS HB3 H 1 1.293 0.009 . 2 . . . . 258 K HB3 . 11078 1 1054 . 1 1 111 111 LYS HD2 H 1 1.412 0.006 . 2 . . . . 258 K HD2 . 11078 1 1055 . 1 1 111 111 LYS HD3 H 1 1.293 0.006 . 2 . . . . 258 K HD3 . 11078 1 1056 . 1 1 111 111 LYS HE2 H 1 2.849 0.009 . 2 . . . . 258 K HE2 . 11078 1 1057 . 1 1 111 111 LYS HE3 H 1 2.674 0.023 . 2 . . . . 258 K HE3 . 11078 1 1058 . 1 1 111 111 LYS HG2 H 1 0.054 0.016 . 2 . . . . 258 K HG2 . 11078 1 1059 . 1 1 111 111 LYS HG3 H 1 0.674 0.024 . 2 . . . . 258 K HG3 . 11078 1 1060 . 1 1 111 111 LYS CA C 13 54.243 0.133 . 1 . . . . 258 K CA . 11078 1 1061 . 1 1 111 111 LYS CB C 13 34.928 0.138 . 1 . . . . 258 K CB . 11078 1 1062 . 1 1 111 111 LYS CD C 13 30.378 0.143 . 1 . . . . 258 K CD . 11078 1 1063 . 1 1 111 111 LYS CE C 13 38.945 0.064 . 1 . . . . 258 K CE . 11078 1 1064 . 1 1 111 111 LYS CG C 13 21.732 0.241 . 1 . . . . 258 K CG . 11078 1 1065 . 1 1 111 111 LYS N N 15 120.397 0.092 . 1 . . . . 258 K N . 11078 1 1066 . 1 1 112 112 ALA H H 1 8.055 0.013 . 1 . . . . 259 A HN . 11078 1 1067 . 1 1 112 112 ALA HA H 1 3.961 0.006 . 1 . . . . 259 A HA . 11078 1 1068 . 1 1 112 112 ALA HB1 H 1 1.242 0.008 . 1 . . . . 259 A QB . 11078 1 1069 . 1 1 112 112 ALA HB2 H 1 1.242 0.008 . 1 . . . . 259 A QB . 11078 1 1070 . 1 1 112 112 ALA HB3 H 1 1.242 0.008 . 1 . . . . 259 A QB . 11078 1 1071 . 1 1 112 112 ALA CA C 13 52.943 0.069 . 1 . . . . 259 A CA . 11078 1 1072 . 1 1 112 112 ALA CB C 13 18.801 0.113 . 1 . . . . 259 A CB . 11078 1 1073 . 1 1 112 112 ALA N N 15 120.108 0.057 . 1 . . . . 259 A N . 11078 1 1074 . 1 1 113 113 MET H H 1 8.426 0.013 . 1 . . . . 260 M HN . 11078 1 1075 . 1 1 113 113 MET HA H 1 4.465 0.015 . 1 . . . . 260 M HA . 11078 1 1076 . 1 1 113 113 MET HB2 H 1 1.516 0.007 . 2 . . . . 260 M QB . 11078 1 1077 . 1 1 113 113 MET HE1 H 1 1.819 0.006 . 1 . . . . 260 M QE . 11078 1 1078 . 1 1 113 113 MET HE2 H 1 1.819 0.006 . 1 . . . . 260 M QE . 11078 1 1079 . 1 1 113 113 MET HE3 H 1 1.819 0.006 . 1 . . . . 260 M QE . 11078 1 1080 . 1 1 113 113 MET HG2 H 1 2.730 0.006 . 2 . . . . 260 M HG2 . 11078 1 1081 . 1 1 113 113 MET HG3 H 1 2.380 0.003 . 2 . . . . 260 M HG3 . 11078 1 1082 . 1 1 113 113 MET CA C 13 55.070 0.169 . 1 . . . . 260 M CA . 11078 1 1083 . 1 1 113 113 MET CB C 13 38.354 0.095 . 1 . . . . 260 M CB . 11078 1 1084 . 1 1 113 113 MET CE C 13 15.568 0.037 . 1 . . . . 260 M CE . 11078 1 1085 . 1 1 113 113 MET N N 15 120.703 0.062 . 1 . . . . 260 M N . 11078 1 1086 . 1 1 114 114 LYS H H 1 11.487 0.012 . 1 . . . . 261 K HN . 11078 1 1087 . 1 1 114 114 LYS HA H 1 4.298 0.006 . 1 . . . . 261 K HA . 11078 1 1088 . 1 1 114 114 LYS HB2 H 1 1.807 0.007 . 2 . . . . 261 K HB2 . 11078 1 1089 . 1 1 114 114 LYS HB3 H 1 1.676 0.006 . 2 . . . . 261 K HB3 . 11078 1 1090 . 1 1 114 114 LYS HD2 H 1 1.603 0.006 . 2 . . . . 261 K QD . 11078 1 1091 . 1 1 114 114 LYS HE2 H 1 2.925 0.008 . 2 . . . . 261 K QE . 11078 1 1092 . 1 1 114 114 LYS CA C 13 56.677 0.089 . 1 . . . . 261 K CA . 11078 1 1093 . 1 1 114 114 LYS CB C 13 33.535 0.100 . 1 . . . . 261 K CB . 11078 1 1094 . 1 1 114 114 LYS CD C 13 29.003 0.171 . 1 . . . . 261 K CD . 11078 1 1095 . 1 1 114 114 LYS CE C 13 42.111 0.148 . 1 . . . . 261 K CE . 11078 1 1096 . 1 1 114 114 LYS CG C 13 25.151 0.067 . 1 . . . . 261 K CG . 11078 1 1097 . 1 1 114 114 LYS N N 15 125.661 0.087 . 1 . . . . 261 K N . 11078 1 1098 . 1 1 115 115 LYS H H 1 8.909 0.013 . 1 . . . . 262 K HN . 11078 1 1099 . 1 1 115 115 LYS HA H 1 4.286 0.012 . 1 . . . . 262 K HA . 11078 1 1100 . 1 1 115 115 LYS HB2 H 1 1.800 0.007 . 2 . . . . 262 K HB2 . 11078 1 1101 . 1 1 115 115 LYS HB3 H 1 1.745 0.003 . 2 . . . . 262 K HB3 . 11078 1 1102 . 1 1 115 115 LYS HD2 H 1 1.665 0.011 . 2 . . . . 262 K HD2 . 11078 1 1103 . 1 1 115 115 LYS HD3 H 1 1.610 0.009 . 2 . . . . 262 K HD3 . 11078 1 1104 . 1 1 115 115 LYS HG2 H 1 1.302 0.007 . 2 . . . . 262 K QG . 11078 1 1105 . 1 1 115 115 LYS CA C 13 55.373 0.030 . 1 . . . . 262 K CA . 11078 1 1106 . 1 1 115 115 LYS CB C 13 33.739 0.149 . 1 . . . . 262 K CB . 11078 1 1107 . 1 1 115 115 LYS CD C 13 29.105 0.126 . 1 . . . . 262 K CD . 11078 1 1108 . 1 1 115 115 LYS CE C 13 42.605 0.000 . 1 . . . . 262 K CE . 11078 1 1109 . 1 1 115 115 LYS CG C 13 25.670 0.041 . 1 . . . . 262 K CG . 11078 1 1110 . 1 1 115 115 LYS N N 15 122.133 0.085 . 1 . . . . 262 K N . 11078 1 1111 . 1 1 116 116 GLU H H 1 8.129 0.012 . 1 . . . . 263 E HN . 11078 1 1112 . 1 1 116 116 GLU HA H 1 4.134 0.009 . 1 . . . . 263 E HA . 11078 1 1113 . 1 1 116 116 GLU HB2 H 1 1.939 0.010 . 2 . . . . 263 E HB2 . 11078 1 1114 . 1 1 116 116 GLU HB3 H 1 1.788 0.008 . 2 . . . . 263 E HB3 . 11078 1 1115 . 1 1 116 116 GLU CA C 13 55.448 0.044 . 1 . . . . 263 E CA . 11078 1 1116 . 1 1 116 116 GLU CB C 13 30.701 0.105 . 1 . . . . 263 E CB . 11078 1 1117 . 1 1 116 116 GLU CG C 13 36.328 0.118 . 1 . . . . 263 E CG . 11078 1 1118 . 1 1 116 116 GLU N N 15 118.571 0.104 . 1 . . . . 263 E N . 11078 1 1119 . 1 1 117 117 PHE H H 1 8.806 0.010 . 1 . . . . 264 F HN . 11078 1 1120 . 1 1 117 117 PHE HA H 1 4.355 0.006 . 1 . . . . 264 F HA . 11078 1 1121 . 1 1 117 117 PHE HB2 H 1 3.032 0.013 . 2 . . . . 264 F HB2 . 11078 1 1122 . 1 1 117 117 PHE HB3 H 1 2.782 0.013 . 2 . . . . 264 F HB3 . 11078 1 1123 . 1 1 117 117 PHE HD1 H 1 7.145 0.000 . 3 . . . . 264 F QD . 11078 1 1124 . 1 1 117 117 PHE HD2 H 1 7.145 0.000 . 3 . . . . 264 F QD . 11078 1 1125 . 1 1 117 117 PHE CA C 13 56.511 0.046 . 1 . . . . 264 F CA . 11078 1 1126 . 1 1 117 117 PHE CB C 13 38.146 0.106 . 1 . . . . 264 F CB . 11078 1 1127 . 1 1 117 117 PHE N N 15 122.504 0.112 . 1 . . . . 264 F N . 11078 1 1128 . 1 1 118 118 PRO HA H 1 4.482 0.007 . 1 . . . . 265 P HA . 11078 1 1129 . 1 1 118 118 PRO HB2 H 1 2.354 0.008 . 2 . . . . 265 P HB2 . 11078 1 1130 . 1 1 118 118 PRO HB3 H 1 1.933 0.009 . 2 . . . . 265 P HB3 . 11078 1 1131 . 1 1 118 118 PRO HD2 H 1 3.653 0.011 . 2 . . . . 265 P HD2 . 11078 1 1132 . 1 1 118 118 PRO HD3 H 1 3.086 0.013 . 2 . . . . 265 P HD3 . 11078 1 1133 . 1 1 118 118 PRO HG2 H 1 2.016 0.009 . 2 . . . . 265 P HG2 . 11078 1 1134 . 1 1 118 118 PRO HG3 H 1 1.853 0.009 . 2 . . . . 265 P HG3 . 11078 1 1135 . 1 1 118 118 PRO CA C 13 62.509 0.046 . 1 . . . . 265 P CA . 11078 1 1136 . 1 1 118 118 PRO CB C 13 32.244 0.091 . 1 . . . . 265 P CB . 11078 1 1137 . 1 1 118 118 PRO CD C 13 50.244 0.100 . 1 . . . . 265 P CD . 11078 1 1138 . 1 1 118 118 PRO CG C 13 27.589 0.041 . 1 . . . . 265 P CG . 11078 1 1139 . 1 1 119 119 SER H H 1 8.860 0.012 . 1 . . . . 266 S HN . 11078 1 1140 . 1 1 119 119 SER HA H 1 3.887 0.007 . 1 . . . . 266 S HA . 11078 1 1141 . 1 1 119 119 SER HB2 H 1 4.757 0.007 . 2 . . . . 266 S QB . 11078 1 1142 . 1 1 119 119 SER CA C 13 62.479 0.174 . 1 . . . . 266 S CA . 11078 1 1143 . 1 1 119 119 SER CB C 13 58.842 0.000 . 1 . . . . 266 S CB . 11078 1 1144 . 1 1 119 119 SER N N 15 119.114 0.049 . 1 . . . . 266 S N . 11078 1 1145 . 1 1 120 120 ILE H H 1 8.249 0.013 . 1 . . . . 267 I HN . 11078 1 1146 . 1 1 120 120 ILE HA H 1 4.148 0.007 . 1 . . . . 267 I HA . 11078 1 1147 . 1 1 120 120 ILE HB H 1 1.873 0.007 . 1 . . . . 267 I HB . 11078 1 1148 . 1 1 120 120 ILE HD11 H 1 0.765 0.005 . 1 . . . . 267 I QD1 . 11078 1 1149 . 1 1 120 120 ILE HD12 H 1 0.765 0.005 . 1 . . . . 267 I QD1 . 11078 1 1150 . 1 1 120 120 ILE HD13 H 1 0.765 0.005 . 1 . . . . 267 I QD1 . 11078 1 1151 . 1 1 120 120 ILE HG12 H 1 1.419 0.009 . 2 . . . . 267 I HG12 . 11078 1 1152 . 1 1 120 120 ILE HG13 H 1 1.173 0.008 . 2 . . . . 267 I HG13 . 11078 1 1153 . 1 1 120 120 ILE HG21 H 1 0.790 0.006 . 1 . . . . 267 I QG2 . 11078 1 1154 . 1 1 120 120 ILE HG22 H 1 0.790 0.006 . 1 . . . . 267 I QG2 . 11078 1 1155 . 1 1 120 120 ILE HG23 H 1 0.790 0.006 . 1 . . . . 267 I QG2 . 11078 1 1156 . 1 1 120 120 ILE CA C 13 61.886 0.061 . 1 . . . . 267 I CA . 11078 1 1157 . 1 1 120 120 ILE CB C 13 38.142 0.036 . 1 . . . . 267 I CB . 11078 1 1158 . 1 1 120 120 ILE CD1 C 13 14.212 0.042 . 1 . . . . 267 I CD1 . 11078 1 1159 . 1 1 120 120 ILE CG1 C 13 29.443 0.061 . 1 . . . . 267 I CG1 . 11078 1 1160 . 1 1 120 120 ILE CG2 C 13 18.577 0.052 . 1 . . . . 267 I CG2 . 11078 1 1161 . 1 1 120 120 ILE N N 15 118.290 0.067 . 1 . . . . 267 I N . 11078 1 1162 . 1 1 121 121 LEU H H 1 7.429 0.013 . 1 . . . . 268 L HN . 11078 1 1163 . 1 1 121 121 LEU HA H 1 4.481 0.012 . 1 . . . . 268 L HA . 11078 1 1164 . 1 1 121 121 LEU HB2 H 1 1.617 0.012 . 2 . . . . 268 L QB . 11078 1 1165 . 1 1 121 121 LEU HD11 H 1 0.710 0.006 . 1 . . . . 268 L QD1 . 11078 1 1166 . 1 1 121 121 LEU HD12 H 1 0.710 0.006 . 1 . . . . 268 L QD1 . 11078 1 1167 . 1 1 121 121 LEU HD13 H 1 0.710 0.006 . 1 . . . . 268 L QD1 . 11078 1 1168 . 1 1 121 121 LEU HD21 H 1 0.724 0.005 . 1 . . . . 268 L QD2 . 11078 1 1169 . 1 1 121 121 LEU HD22 H 1 0.724 0.005 . 1 . . . . 268 L QD2 . 11078 1 1170 . 1 1 121 121 LEU HD23 H 1 0.724 0.005 . 1 . . . . 268 L QD2 . 11078 1 1171 . 1 1 121 121 LEU HG H 1 1.623 0.003 . 1 . . . . 268 L HG . 11078 1 1172 . 1 1 121 121 LEU CA C 13 53.934 0.144 . 1 . . . . 268 L CA . 11078 1 1173 . 1 1 121 121 LEU CB C 13 42.880 0.141 . 1 . . . . 268 L CB . 11078 1 1174 . 1 1 121 121 LEU CD1 C 13 25.794 0.059 . 2 . . . . 268 L CD1 . 11078 1 1175 . 1 1 121 121 LEU CD2 C 13 22.752 0.167 . 2 . . . . 268 L CD2 . 11078 1 1176 . 1 1 121 121 LEU CG C 13 26.719 0.000 . 1 . . . . 268 L CG . 11078 1 1177 . 1 1 121 121 LEU N N 15 116.276 0.039 . 1 . . . . 268 L N . 11078 1 1178 . 1 1 122 122 ARG H H 1 7.506 0.010 . 1 . . . . 269 R HN . 11078 1 1179 . 1 1 122 122 ARG HA H 1 3.878 0.008 . 1 . . . . 269 R HA . 11078 1 1180 . 1 1 122 122 ARG HB2 H 1 1.613 0.009 . 2 . . . . 269 R HB2 . 11078 1 1181 . 1 1 122 122 ARG HB3 H 1 1.302 0.006 . 2 . . . . 269 R HB3 . 11078 1 1182 . 1 1 122 122 ARG HG2 H 1 1.274 0.010 . 2 . . . . 269 R HG2 . 11078 1 1183 . 1 1 122 122 ARG HG3 H 1 1.162 0.019 . 2 . . . . 269 R HG3 . 11078 1 1184 . 1 1 122 122 ARG CA C 13 58.252 0.088 . 1 . . . . 269 R CA . 11078 1 1185 . 1 1 122 122 ARG CB C 13 30.295 0.126 . 1 . . . . 269 R CB . 11078 1 1186 . 1 1 122 122 ARG CD C 13 43.504 0.034 . 1 . . . . 269 R CD . 11078 1 1187 . 1 1 122 122 ARG CG C 13 26.987 0.034 . 1 . . . . 269 R CG . 11078 1 1188 . 1 1 122 122 ARG N N 15 118.196 0.058 . 1 . . . . 269 R N . 11078 1 1189 . 1 1 123 123 PHE H H 1 8.166 0.012 . 1 . . . . 270 F HN . 11078 1 1190 . 1 1 123 123 PHE HA H 1 4.594 0.009 . 1 . . . . 270 F HA . 11078 1 1191 . 1 1 123 123 PHE HB2 H 1 3.369 0.022 . 2 . . . . 270 F HB2 . 11078 1 1192 . 1 1 123 123 PHE HB3 H 1 2.991 0.011 . 2 . . . . 270 F HB3 . 11078 1 1193 . 1 1 123 123 PHE CA C 13 57.644 0.090 . 1 . . . . 270 F CA . 11078 1 1194 . 1 1 123 123 PHE CB C 13 37.712 0.093 . 1 . . . . 270 F CB . 11078 1 1195 . 1 1 123 123 PHE N N 15 115.346 0.036 . 1 . . . . 270 F N . 11078 1 1196 . 1 1 124 124 ILE H H 1 7.363 0.014 . 1 . . . . 271 I HN . 11078 1 1197 . 1 1 124 124 ILE HA H 1 4.335 0.009 . 1 . . . . 271 I HA . 11078 1 1198 . 1 1 124 124 ILE HB H 1 1.768 0.008 . 1 . . . . 271 I HB . 11078 1 1199 . 1 1 124 124 ILE HD11 H 1 0.845 0.009 . 1 . . . . 271 I QD1 . 11078 1 1200 . 1 1 124 124 ILE HD12 H 1 0.845 0.009 . 1 . . . . 271 I QD1 . 11078 1 1201 . 1 1 124 124 ILE HD13 H 1 0.845 0.009 . 1 . . . . 271 I QD1 . 11078 1 1202 . 1 1 124 124 ILE HG12 H 1 1.484 0.008 . 2 . . . . 271 I HG12 . 11078 1 1203 . 1 1 124 124 ILE HG13 H 1 0.970 0.014 . 2 . . . . 271 I HG13 . 11078 1 1204 . 1 1 124 124 ILE HG21 H 1 0.990 0.007 . 1 . . . . 271 I QG2 . 11078 1 1205 . 1 1 124 124 ILE HG22 H 1 0.990 0.007 . 1 . . . . 271 I QG2 . 11078 1 1206 . 1 1 124 124 ILE HG23 H 1 0.990 0.007 . 1 . . . . 271 I QG2 . 11078 1 1207 . 1 1 124 124 ILE CA C 13 60.496 0.104 . 1 . . . . 271 I CA . 11078 1 1208 . 1 1 124 124 ILE CB C 13 39.767 0.115 . 1 . . . . 271 I CB . 11078 1 1209 . 1 1 124 124 ILE CD1 C 13 14.731 0.064 . 1 . . . . 271 I CD1 . 11078 1 1210 . 1 1 124 124 ILE CG1 C 13 27.012 0.037 . 1 . . . . 271 I CG1 . 11078 1 1211 . 1 1 124 124 ILE CG2 C 13 18.304 0.062 . 1 . . . . 271 I CG2 . 11078 1 1212 . 1 1 124 124 ILE N N 15 119.380 0.065 . 1 . . . . 271 I N . 11078 1 1213 . 1 1 125 125 THR H H 1 8.608 0.010 . 1 . . . . 272 T HN . 11078 1 1214 . 1 1 125 125 THR HA H 1 3.989 0.012 . 1 . . . . 272 T HA . 11078 1 1215 . 1 1 125 125 THR HB H 1 4.044 0.010 . 1 . . . . 272 T HB . 11078 1 1216 . 1 1 125 125 THR HG21 H 1 1.160 0.007 . 1 . . . . 272 T QG2 . 11078 1 1217 . 1 1 125 125 THR HG22 H 1 1.160 0.007 . 1 . . . . 272 T QG2 . 11078 1 1218 . 1 1 125 125 THR HG23 H 1 1.160 0.007 . 1 . . . . 272 T QG2 . 11078 1 1219 . 1 1 125 125 THR CA C 13 64.481 0.176 . 1 . . . . 272 T CA . 11078 1 1220 . 1 1 125 125 THR CB C 13 69.201 0.082 . 1 . . . . 272 T CB . 11078 1 1221 . 1 1 125 125 THR CG2 C 13 21.992 0.152 . 1 . . . . 272 T CG2 . 11078 1 1222 . 1 1 125 125 THR N N 15 122.607 0.078 . 1 . . . . 272 T N . 11078 1 1223 . 1 1 126 126 VAL H H 1 8.427 0.012 . 1 . . . . 273 V HN . 11078 1 1224 . 1 1 126 126 VAL HA H 1 4.071 0.008 . 1 . . . . 273 V HA . 11078 1 1225 . 1 1 126 126 VAL HB H 1 1.940 0.012 . 1 . . . . 273 V HB . 11078 1 1226 . 1 1 126 126 VAL HG11 H 1 0.817 0.008 . 1 . . . . 273 V QG1 . 11078 1 1227 . 1 1 126 126 VAL HG12 H 1 0.817 0.008 . 1 . . . . 273 V QG1 . 11078 1 1228 . 1 1 126 126 VAL HG13 H 1 0.817 0.008 . 1 . . . . 273 V QG1 . 11078 1 1229 . 1 1 126 126 VAL HG21 H 1 0.725 0.010 . 1 . . . . 273 V QG2 . 11078 1 1230 . 1 1 126 126 VAL HG22 H 1 0.725 0.010 . 1 . . . . 273 V QG2 . 11078 1 1231 . 1 1 126 126 VAL HG23 H 1 0.725 0.010 . 1 . . . . 273 V QG2 . 11078 1 1232 . 1 1 126 126 VAL CA C 13 61.668 0.059 . 1 . . . . 273 V CA . 11078 1 1233 . 1 1 126 126 VAL CB C 13 33.629 0.083 . 1 . . . . 273 V CB . 11078 1 1234 . 1 1 126 126 VAL CG1 C 13 22.640 0.079 . 2 . . . . 273 V CG1 . 11078 1 1235 . 1 1 126 126 VAL CG2 C 13 21.403 0.100 . 2 . . . . 273 V CG2 . 11078 1 1236 . 1 1 126 126 VAL N N 15 127.032 0.056 . 1 . . . . 273 V N . 11078 1 1237 . 1 1 127 127 CYS H H 1 8.674 0.009 . 1 . . . . 274 C HN . 11078 1 1238 . 1 1 127 127 CYS HA H 1 4.499 0.011 . 1 . . . . 274 C HA . 11078 1 1239 . 1 1 127 127 CYS HB2 H 1 2.979 0.013 . 2 . . . . 274 C HB2 . 11078 1 1240 . 1 1 127 127 CYS HB3 H 1 2.747 0.010 . 2 . . . . 274 C HB3 . 11078 1 1241 . 1 1 127 127 CYS CA C 13 59.074 0.183 . 1 . . . . 274 C CA . 11078 1 1242 . 1 1 127 127 CYS CB C 13 26.638 0.125 . 1 . . . . 274 C CB . 11078 1 1243 . 1 1 127 127 CYS N N 15 127.367 0.073 . 1 . . . . 274 C N . 11078 1 1244 . 1 1 128 128 ASP H H 1 8.845 0.009 . 1 . . . . 275 D HN . 11078 1 1245 . 1 1 128 128 ASP HA H 1 5.058 0.011 . 1 . . . . 275 D HA . 11078 1 1246 . 1 1 128 128 ASP HB2 H 1 3.092 0.007 . 2 . . . . 275 D HB2 . 11078 1 1247 . 1 1 128 128 ASP HB3 H 1 2.271 0.011 . 2 . . . . 275 D HB3 . 11078 1 1248 . 1 1 128 128 ASP CA C 13 52.859 0.182 . 1 . . . . 275 D CA . 11078 1 1249 . 1 1 128 128 ASP CB C 13 41.310 0.125 . 1 . . . . 275 D CB . 11078 1 1250 . 1 1 128 128 ASP N N 15 126.081 0.067 . 1 . . . . 275 D N . 11078 1 1251 . 1 1 129 129 TYR H H 1 9.038 0.013 . 1 . . . . 276 Y HN . 11078 1 1252 . 1 1 129 129 TYR HA H 1 3.699 0.019 . 1 . . . . 276 Y HA . 11078 1 1253 . 1 1 129 129 TYR HB2 H 1 2.587 0.007 . 2 . . . . 276 Y HB2 . 11078 1 1254 . 1 1 129 129 TYR HB3 H 1 3.130 0.000 . 2 . . . . 276 Y HB3 . 11078 1 1255 . 1 1 129 129 TYR HD1 H 1 6.611 0.022 . 3 . . . . 276 Y QD . 11078 1 1256 . 1 1 129 129 TYR HD2 H 1 6.611 0.022 . 3 . . . . 276 Y QD . 11078 1 1257 . 1 1 129 129 TYR CA C 13 57.313 0.087 . 1 . . . . 276 Y CA . 11078 1 1258 . 1 1 129 129 TYR CB C 13 39.063 0.146 . 1 . . . . 276 Y CB . 11078 1 1259 . 1 1 129 129 TYR N N 15 128.416 0.062 . 1 . . . . 276 Y N . 11078 1 1260 . 1 1 130 130 THR H H 1 8.331 0.016 . 1 . . . . 277 T HN . 11078 1 1261 . 1 1 130 130 THR HA H 1 4.340 0.008 . 1 . . . . 277 T HA . 11078 1 1262 . 1 1 130 130 THR HG21 H 1 1.847 0.011 . 1 . . . . 277 T QG2 . 11078 1 1263 . 1 1 130 130 THR HG22 H 1 1.847 0.011 . 1 . . . . 277 T QG2 . 11078 1 1264 . 1 1 130 130 THR HG23 H 1 1.847 0.011 . 1 . . . . 277 T QG2 . 11078 1 1265 . 1 1 130 130 THR CA C 13 62.972 0.347 . 1 . . . . 277 T CA . 11078 1 1266 . 1 1 130 130 THR CB C 13 69.458 0.177 . 1 . . . . 277 T CB . 11078 1 1267 . 1 1 130 130 THR N N 15 107.465 0.067 . 1 . . . . 277 T N . 11078 1 1268 . 1 1 132 132 PRO HA H 1 4.044 0.022 . 1 . . . . 279 P HA . 11078 1 1269 . 1 1 132 132 PRO HB2 H 1 1.939 0.012 . 2 . . . . 279 P QB . 11078 1 1270 . 1 1 132 132 PRO HD2 H 1 3.659 0.000 . 2 . . . . 279 P QD . 11078 1 1271 . 1 1 132 132 PRO HG2 H 1 1.917 0.011 . 2 . . . . 279 P QG . 11078 1 1272 . 1 1 132 132 PRO CA C 13 64.652 0.065 . 1 . . . . 279 P CA . 11078 1 1273 . 1 1 132 132 PRO CB C 13 31.997 0.016 . 1 . . . . 279 P CB . 11078 1 1274 . 1 1 132 132 PRO CG C 13 26.710 0.005 . 1 . . . . 279 P CG . 11078 1 1275 . 1 1 133 133 CYS H H 1 8.217 0.010 . 1 . . . . 280 C HN . 11078 1 1276 . 1 1 133 133 CYS HA H 1 4.303 0.007 . 1 . . . . 280 C HA . 11078 1 1277 . 1 1 133 133 CYS HB2 H 1 3.059 0.007 . 2 . . . . 280 C HB2 . 11078 1 1278 . 1 1 133 133 CYS HB3 H 1 2.888 0.008 . 2 . . . . 280 C HB3 . 11078 1 1279 . 1 1 133 133 CYS CA C 13 60.475 0.083 . 1 . . . . 280 C CA . 11078 1 1280 . 1 1 133 133 CYS CB C 13 27.355 0.085 . 1 . . . . 280 C CB . 11078 1 1281 . 1 1 133 133 CYS N N 15 116.137 0.048 . 1 . . . . 280 C N . 11078 1 1282 . 1 1 134 134 THR H H 1 7.463 0.019 . 1 . . . . 281 T HN . 11078 1 1283 . 1 1 134 134 THR HA H 1 4.165 0.003 . 1 . . . . 281 T HA . 11078 1 1284 . 1 1 134 134 THR HB H 1 4.168 0.008 . 1 . . . . 281 T HB . 11078 1 1285 . 1 1 134 134 THR HG21 H 1 1.137 0.023 . 1 . . . . 281 T QG2 . 11078 1 1286 . 1 1 134 134 THR HG22 H 1 1.137 0.023 . 1 . . . . 281 T QG2 . 11078 1 1287 . 1 1 134 134 THR HG23 H 1 1.137 0.023 . 1 . . . . 281 T QG2 . 11078 1 1288 . 1 1 134 134 THR CA C 13 61.406 0.050 . 1 . . . . 281 T CA . 11078 1 1289 . 1 1 134 134 THR CB C 13 69.584 0.244 . 1 . . . . 281 T CB . 11078 1 1290 . 1 1 134 134 THR CG2 C 13 21.737 0.046 . 1 . . . . 281 T CG2 . 11078 1 1291 . 1 1 134 134 THR N N 15 108.808 0.091 . 1 . . . . 281 T N . 11078 1 1292 . 1 1 135 135 LYS H H 1 7.383 0.008 . 1 . . . . 282 K HN . 11078 1 1293 . 1 1 135 135 LYS HB2 H 1 1.652 0.003 . 2 . . . . 282 K QB . 11078 1 1294 . 1 1 135 135 LYS CA C 13 59.212 0.102 . 1 . . . . 282 K CA . 11078 1 1295 . 1 1 135 135 LYS CB C 13 32.613 0.058 . 1 . . . . 282 K CB . 11078 1 1296 . 1 1 135 135 LYS N N 15 123.123 0.097 . 1 . . . . 282 K N . 11078 1 1297 . 1 1 136 136 SER H H 1 8.437 0.017 . 1 . . . . 283 S HN . 11078 1 1298 . 1 1 136 136 SER HA H 1 4.378 0.015 . 1 . . . . 283 S HA . 11078 1 1299 . 1 1 136 136 SER HB2 H 1 3.873 0.012 . 2 . . . . 283 S QB . 11078 1 1300 . 1 1 136 136 SER CA C 13 61.215 0.227 . 1 . . . . 283 S CA . 11078 1 1301 . 1 1 136 136 SER CB C 13 62.852 0.454 . 1 . . . . 283 S CB . 11078 1 1302 . 1 1 136 136 SER N N 15 113.824 0.103 . 1 . . . . 283 S N . 11078 1 1303 . 1 1 137 137 TRP HA H 1 4.873 0.006 . 1 . . . . 284 W HA . 11078 1 1304 . 1 1 137 137 TRP HB2 H 1 3.412 0.008 . 2 . . . . 284 W HB2 . 11078 1 1305 . 1 1 137 137 TRP HB3 H 1 3.267 0.007 . 2 . . . . 284 W HB3 . 11078 1 1306 . 1 1 137 137 TRP HD1 H 1 7.214 0.014 . 1 . . . . 284 W HD1 . 11078 1 1307 . 1 1 137 137 TRP HE1 H 1 10.204 0.009 . 1 . . . . 284 W HE1 . 11078 1 1308 . 1 1 137 137 TRP HZ2 H 1 7.501 0.004 . 1 . . . . 284 W HZ2 . 11078 1 1309 . 1 1 137 137 TRP CA C 13 56.983 0.043 . 1 . . . . 284 W CA . 11078 1 1310 . 1 1 137 137 TRP CB C 13 28.869 0.168 . 1 . . . . 284 W CB . 11078 1 1311 . 1 1 137 137 TRP CD1 C 13 127.511 0.003 . 1 . . . . 284 W CD1 . 11078 1 1312 . 1 1 137 137 TRP CZ2 C 13 114.815 0.011 . 1 . . . . 284 W CZ2 . 11078 1 1313 . 1 1 137 137 TRP NE1 N 15 129.464 0.044 . 1 . . . . 284 W NE1 . 11078 1 1314 . 1 1 138 138 PHE H H 1 7.651 0.012 . 1 . . . . 285 F HN . 11078 1 1315 . 1 1 138 138 PHE HA H 1 3.721 0.006 . 1 . . . . 285 F HA . 11078 1 1316 . 1 1 138 138 PHE HB2 H 1 3.143 0.007 . 2 . . . . 285 F HB2 . 11078 1 1317 . 1 1 138 138 PHE HB3 H 1 2.226 0.004 . 2 . . . . 285 F HB3 . 11078 1 1318 . 1 1 138 138 PHE HD1 H 1 6.002 0.013 . 3 . . . . 285 F QD . 11078 1 1319 . 1 1 138 138 PHE HD2 H 1 6.002 0.013 . 3 . . . . 285 F QD . 11078 1 1320 . 1 1 138 138 PHE HE1 H 1 6.939 0.000 . 3 . . . . 285 F QE . 11078 1 1321 . 1 1 138 138 PHE HE2 H 1 6.939 0.000 . 3 . . . . 285 F QE . 11078 1 1322 . 1 1 138 138 PHE CA C 13 63.087 0.144 . 1 . . . . 285 F CA . 11078 1 1323 . 1 1 138 138 PHE CB C 13 40.578 0.052 . 1 . . . . 285 F CB . 11078 1 1324 . 1 1 138 138 PHE N N 15 120.963 0.060 . 1 . . . . 285 F N . 11078 1 1325 . 1 1 139 139 TRP H H 1 8.049 0.007 . 1 . . . . 286 W HN . 11078 1 1326 . 1 1 139 139 TRP HA H 1 4.574 0.009 . 1 . . . . 286 W HA . 11078 1 1327 . 1 1 139 139 TRP HB2 H 1 3.276 0.012 . 2 . . . . 286 W HB2 . 11078 1 1328 . 1 1 139 139 TRP HB3 H 1 3.088 0.005 . 2 . . . . 286 W HB3 . 11078 1 1329 . 1 1 139 139 TRP HD1 H 1 7.420 0.014 . 1 . . . . 286 W HD1 . 11078 1 1330 . 1 1 139 139 TRP HE1 H 1 10.284 0.009 . 1 . . . . 286 W HE1 . 11078 1 1331 . 1 1 139 139 TRP HZ2 H 1 6.990 0.005 . 1 . . . . 286 W HZ2 . 11078 1 1332 . 1 1 139 139 TRP CA C 13 58.635 0.121 . 1 . . . . 286 W CA . 11078 1 1333 . 1 1 139 139 TRP CB C 13 29.380 0.088 . 1 . . . . 286 W CB . 11078 1 1334 . 1 1 139 139 TRP CD1 C 13 129.150 0.005 . 1 . . . . 286 W CD1 . 11078 1 1335 . 1 1 139 139 TRP CZ2 C 13 115.130 0.028 . 1 . . . . 286 W CZ2 . 11078 1 1336 . 1 1 139 139 TRP N N 15 117.498 0.051 . 1 . . . . 286 W N . 11078 1 1337 . 1 1 139 139 TRP NE1 N 15 129.220 0.046 . 1 . . . . 286 W NE1 . 11078 1 1338 . 1 1 140 140 THR H H 1 8.125 0.010 . 1 . . . . 287 T HN . 11078 1 1339 . 1 1 140 140 THR HA H 1 4.023 0.009 . 1 . . . . 287 T HA . 11078 1 1340 . 1 1 140 140 THR HB H 1 4.341 0.007 . 1 . . . . 287 T HB . 11078 1 1341 . 1 1 140 140 THR HG21 H 1 1.459 0.007 . 1 . . . . 287 T QG2 . 11078 1 1342 . 1 1 140 140 THR HG22 H 1 1.459 0.007 . 1 . . . . 287 T QG2 . 11078 1 1343 . 1 1 140 140 THR HG23 H 1 1.459 0.007 . 1 . . . . 287 T QG2 . 11078 1 1344 . 1 1 140 140 THR CA C 13 66.669 0.079 . 1 . . . . 287 T CA . 11078 1 1345 . 1 1 140 140 THR CB C 13 68.599 0.055 . 1 . . . . 287 T CB . 11078 1 1346 . 1 1 140 140 THR CG2 C 13 22.662 0.104 . 1 . . . . 287 T CG2 . 11078 1 1347 . 1 1 140 140 THR N N 15 114.205 0.066 . 1 . . . . 287 T N . 11078 1 1348 . 1 1 141 141 ARG H H 1 8.198 0.012 . 1 . . . . 288 R HN . 11078 1 1349 . 1 1 141 141 ARG HA H 1 3.902 0.012 . 1 . . . . 288 R HA . 11078 1 1350 . 1 1 141 141 ARG HB2 H 1 1.674 0.018 . 2 . . . . 288 R QB . 11078 1 1351 . 1 1 141 141 ARG HD2 H 1 2.945 0.017 . 2 . . . . 288 R QD . 11078 1 1352 . 1 1 141 141 ARG HG2 H 1 1.782 0.009 . 2 . . . . 288 R HG2 . 11078 1 1353 . 1 1 141 141 ARG HG3 H 1 1.482 0.009 . 2 . . . . 288 R HG3 . 11078 1 1354 . 1 1 141 141 ARG CA C 13 59.810 0.171 . 1 . . . . 288 R CA . 11078 1 1355 . 1 1 141 141 ARG CB C 13 29.536 0.110 . 1 . . . . 288 R CB . 11078 1 1356 . 1 1 141 141 ARG CD C 13 43.442 0.000 . 1 . . . . 288 R CD . 11078 1 1357 . 1 1 141 141 ARG CG C 13 27.840 0.055 . 1 . . . . 288 R CG . 11078 1 1358 . 1 1 141 141 ARG N N 15 120.862 0.190 . 1 . . . . 288 R N . 11078 1 1359 . 1 1 142 142 LEU H H 1 7.774 0.013 . 1 . . . . 289 L HN . 11078 1 1360 . 1 1 142 142 LEU HA H 1 3.981 0.013 . 1 . . . . 289 L HA . 11078 1 1361 . 1 1 142 142 LEU HB2 H 1 1.773 0.009 . 2 . . . . 289 L HB2 . 11078 1 1362 . 1 1 142 142 LEU HB3 H 1 1.000 0.009 . 2 . . . . 289 L HB3 . 11078 1 1363 . 1 1 142 142 LEU HD11 H 1 0.993 0.012 . 1 . . . . 289 L QD1 . 11078 1 1364 . 1 1 142 142 LEU HD12 H 1 0.993 0.012 . 1 . . . . 289 L QD1 . 11078 1 1365 . 1 1 142 142 LEU HD13 H 1 0.993 0.012 . 1 . . . . 289 L QD1 . 11078 1 1366 . 1 1 142 142 LEU HD21 H 1 0.812 0.007 . 1 . . . . 289 L QD2 . 11078 1 1367 . 1 1 142 142 LEU HD22 H 1 0.812 0.007 . 1 . . . . 289 L QD2 . 11078 1 1368 . 1 1 142 142 LEU HD23 H 1 0.812 0.007 . 1 . . . . 289 L QD2 . 11078 1 1369 . 1 1 142 142 LEU HG H 1 1.417 0.010 . 1 . . . . 289 L HG . 11078 1 1370 . 1 1 142 142 LEU CA C 13 57.528 0.084 . 1 . . . . 289 L CA . 11078 1 1371 . 1 1 142 142 LEU CB C 13 41.272 0.315 . 1 . . . . 289 L CB . 11078 1 1372 . 1 1 142 142 LEU CD1 C 13 26.975 0.132 . 2 . . . . 289 L CD1 . 11078 1 1373 . 1 1 142 142 LEU CD2 C 13 22.670 0.042 . 2 . . . . 289 L CD2 . 11078 1 1374 . 1 1 142 142 LEU CG C 13 27.254 0.181 . 1 . . . . 289 L CG . 11078 1 1375 . 1 1 142 142 LEU N N 15 122.074 0.094 . 1 . . . . 289 L N . 11078 1 1376 . 1 1 143 143 ALA H H 1 8.401 0.014 . 1 . . . . 290 A HN . 11078 1 1377 . 1 1 143 143 ALA HA H 1 3.675 0.016 . 1 . . . . 290 A HA . 11078 1 1378 . 1 1 143 143 ALA HB1 H 1 1.435 0.007 . 1 . . . . 290 A QB . 11078 1 1379 . 1 1 143 143 ALA HB2 H 1 1.435 0.007 . 1 . . . . 290 A QB . 11078 1 1380 . 1 1 143 143 ALA HB3 H 1 1.435 0.007 . 1 . . . . 290 A QB . 11078 1 1381 . 1 1 143 143 ALA CA C 13 55.436 0.099 . 1 . . . . 290 A CA . 11078 1 1382 . 1 1 143 143 ALA CB C 13 19.446 0.191 . 1 . . . . 290 A CB . 11078 1 1383 . 1 1 143 143 ALA N N 15 120.468 0.091 . 1 . . . . 290 A N . 11078 1 1384 . 1 1 144 144 LYS H H 1 7.737 0.011 . 1 . . . . 291 K HN . 11078 1 1385 . 1 1 144 144 LYS HA H 1 3.143 0.017 . 1 . . . . 291 K HA . 11078 1 1386 . 1 1 144 144 LYS HB2 H 1 1.717 0.011 . 2 . . . . 291 K QB . 11078 1 1387 . 1 1 144 144 LYS HD2 H 1 1.622 0.007 . 2 . . . . 291 K QD . 11078 1 1388 . 1 1 144 144 LYS HE2 H 1 2.908 0.007 . 2 . . . . 291 K QE . 11078 1 1389 . 1 1 144 144 LYS HG2 H 1 1.264 0.006 . 2 . . . . 291 K QG . 11078 1 1390 . 1 1 144 144 LYS CA C 13 58.918 0.050 . 1 . . . . 291 K CA . 11078 1 1391 . 1 1 144 144 LYS CB C 13 31.897 0.137 . 1 . . . . 291 K CB . 11078 1 1392 . 1 1 144 144 LYS CD C 13 29.405 0.038 . 1 . . . . 291 K CD . 11078 1 1393 . 1 1 144 144 LYS CE C 13 42.266 0.050 . 1 . . . . 291 K CE . 11078 1 1394 . 1 1 144 144 LYS N N 15 116.072 0.054 . 1 . . . . 291 K N . 11078 1 1395 . 1 1 145 145 ALA H H 1 7.740 0.012 . 1 . . . . 292 A HN . 11078 1 1396 . 1 1 145 145 ALA HA H 1 3.922 0.012 . 1 . . . . 292 A HA . 11078 1 1397 . 1 1 145 145 ALA HB1 H 1 1.376 0.009 . 1 . . . . 292 A QB . 11078 1 1398 . 1 1 145 145 ALA HB2 H 1 1.376 0.009 . 1 . . . . 292 A QB . 11078 1 1399 . 1 1 145 145 ALA HB3 H 1 1.376 0.009 . 1 . . . . 292 A QB . 11078 1 1400 . 1 1 145 145 ALA CA C 13 55.223 0.091 . 1 . . . . 292 A CA . 11078 1 1401 . 1 1 145 145 ALA CB C 13 17.566 0.128 . 1 . . . . 292 A CB . 11078 1 1402 . 1 1 145 145 ALA N N 15 121.607 0.072 . 1 . . . . 292 A N . 11078 1 1403 . 1 1 146 146 LEU H H 1 8.023 0.013 . 1 . . . . 293 L HN . 11078 1 1404 . 1 1 146 146 LEU HA H 1 4.088 0.008 . 1 . . . . 293 L HA . 11078 1 1405 . 1 1 146 146 LEU HB2 H 1 1.913 0.013 . 2 . . . . 293 L HB2 . 11078 1 1406 . 1 1 146 146 LEU HB3 H 1 1.030 0.008 . 2 . . . . 293 L HB3 . 11078 1 1407 . 1 1 146 146 LEU CA C 13 55.431 0.049 . 1 . . . . 293 L CA . 11078 1 1408 . 1 1 146 146 LEU CB C 13 42.760 0.101 . 1 . . . . 293 L CB . 11078 1 1409 . 1 1 146 146 LEU CD1 C 13 25.864 0.055 . 2 . . . . 293 L CD1 . 11078 1 1410 . 1 1 146 146 LEU CD2 C 13 23.527 0.121 . 2 . . . . 293 L CD2 . 11078 1 1411 . 1 1 146 146 LEU N N 15 113.505 0.035 . 1 . . . . 293 L N . 11078 1 1412 . 1 1 147 147 SER H H 1 7.825 0.010 . 1 . . . . 294 S HN . 11078 1 1413 . 1 1 147 147 SER HA H 1 4.054 0.008 . 1 . . . . 294 S HA . 11078 1 1414 . 1 1 147 147 SER HB2 H 1 4.018 0.011 . 2 . . . . 294 S HB2 . 11078 1 1415 . 1 1 147 147 SER HB3 H 1 3.776 0.009 . 2 . . . . 294 S HB3 . 11078 1 1416 . 1 1 147 147 SER CA C 13 59.691 0.073 . 1 . . . . 294 S CA . 11078 1 1417 . 1 1 147 147 SER CB C 13 63.937 0.098 . 1 . . . . 294 S CB . 11078 1 1418 . 1 1 147 147 SER N N 15 114.925 0.065 . 1 . . . . 294 S N . 11078 1 1419 . 1 1 148 148 LEU H H 1 6.956 0.013 . 1 . . . . 295 L HN . 11078 1 1420 . 1 1 148 148 LEU HA H 1 4.449 0.008 . 1 . . . . 295 L HA . 11078 1 1421 . 1 1 148 148 LEU HB2 H 1 1.699 0.007 . 2 . . . . 295 L HB2 . 11078 1 1422 . 1 1 148 148 LEU HB3 H 1 1.578 0.011 . 2 . . . . 295 L HB3 . 11078 1 1423 . 1 1 148 148 LEU HD11 H 1 0.886 0.009 . 1 . . . . 295 L QD1 . 11078 1 1424 . 1 1 148 148 LEU HD12 H 1 0.886 0.009 . 1 . . . . 295 L QD1 . 11078 1 1425 . 1 1 148 148 LEU HD13 H 1 0.886 0.009 . 1 . . . . 295 L QD1 . 11078 1 1426 . 1 1 148 148 LEU HD21 H 1 0.863 0.007 . 1 . . . . 295 L QD2 . 11078 1 1427 . 1 1 148 148 LEU HD22 H 1 0.863 0.007 . 1 . . . . 295 L QD2 . 11078 1 1428 . 1 1 148 148 LEU HD23 H 1 0.863 0.007 . 1 . . . . 295 L QD2 . 11078 1 1429 . 1 1 148 148 LEU HG H 1 2.010 0.010 . 1 . . . . 295 L HG . 11078 1 1430 . 1 1 148 148 LEU CA C 13 53.711 0.070 . 1 . . . . 295 L CA . 11078 1 1431 . 1 1 148 148 LEU CB C 13 41.041 0.072 . 1 . . . . 295 L CB . 11078 1 1432 . 1 1 148 148 LEU CD1 C 13 25.726 0.106 . 2 . . . . 295 L CD1 . 11078 1 1433 . 1 1 148 148 LEU CD2 C 13 22.447 0.028 . 2 . . . . 295 L CD2 . 11078 1 1434 . 1 1 148 148 LEU CG C 13 26.080 0.054 . 1 . . . . 295 L CG . 11078 1 1435 . 1 1 148 148 LEU N N 15 123.944 0.049 . 1 . . . . 295 L N . 11078 1 1436 . 1 1 149 149 PRO HD2 H 1 3.828 0.005 . 2 . . . . 296 P HD2 . 11078 1 1437 . 1 1 149 149 PRO HD3 H 1 3.590 0.008 . 2 . . . . 296 P HD3 . 11078 1 1438 . 1 1 149 149 PRO CD C 13 50.399 0.039 . 1 . . . . 296 P CD . 11078 1 stop_ save_