data_6971 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6971 _Entry.Title ; NMR assignment of the b' domain of thermophilic fungal protein disulfide isomerase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-02-03 _Entry.Accession_date 2006-02-07 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Michiko Nakano . . . 6971 2 Chiho Murakami . . . 6971 3 Yoshiki Yamaguchi . . . 6971 4 Hiroaki Sasakawa . . . 6971 5 Takushi Harada . . . 6971 6 Eiji Kurimoto . . . 6971 7 Osamu Asami . . . 6971 8 Tsutomu Kajino . . . 6971 9 Koichi Kato . . . 6971 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6971 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 468 6971 '15N chemical shifts' 128 6971 '1H chemical shifts' 816 6971 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 2 . . 2006-12-08 2006-02-03 update author 'complete the entry citation' 6971 1 . . 2006-08-07 2006-02-03 original author 'original release' 6971 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6971 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16819589 _Citation.Full_citation . _Citation.Title "NMR Assignments of the b' and a' Domains of Thermophilic Fungal Protein Disulfide Isomerase" _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 44 _Citation.Page_last 44 _Citation.Year 2006 _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 Michiko Nakano . . . 6971 1 2 Chiho Murakami . . . 6971 1 3 Yoshiki Yamaguchi . . . 6971 1 4 Hiroaki Sasakawa . . . 6971 1 5 Takushi Harada . . . 6971 1 6 Eiji Kurimoto . . . 6971 1 7 Osamu Asami . . . 6971 1 8 Tsutomu Kajino . . . 6971 1 9 Koichi Kato . . . 6971 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6971 _Assembly.ID 1 _Assembly.Name PDI-b' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 PDI-b' 1 $entity-PDI-b . . no native no no . . . 6971 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity-PDI-b _Entity.Sf_category entity _Entity.Sf_framecode entity-PDI-b _Entity.Entry_ID 6971 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PDI-b' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSPLIGEIGPETYSDYM SAGIPLAYIFAETAEERKEL SDKLKPIAEAQRGVINFGTI DAKAFGAHAGNLNLKTDKFP AFAIQEVAKNQKFPFDQEKE ITFEAIKAFVDDFVAGKIEP SIKSEPIPEKQEG ; _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 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2DJK . "Solution Structure Of The B' Domain Of Thermophilic Fungal Protein Disulfide Isomerase" . . . . . 100.00 133 100.00 100.00 1.40e-87 . . . . 6971 1 2 no PDB 2KP2 . "Solution Structure Of The B' Domain Of Thermophilic Fungal Protein Disulfide Isomerase" . . . . . 100.00 133 100.00 100.00 1.40e-87 . . . . 6971 1 3 no PDB 3WT1 . "Crystal Structure Of The B'-a' Domain Of Thermophilic Fungal Protein Disulfide Isomerase (reduced Form)" . . . . . 100.00 247 100.00 100.00 1.13e-86 . . . . 6971 1 4 no PDB 3WT2 . "Crystal Structure Of The B'-a' Domain Of Thermophilic Fungal Protein Disulfide Isomerase (oxidized Form)" . . . . . 100.00 247 100.00 100.00 1.13e-86 . . . . 6971 1 5 no GB AAC60578 . "protein disulfide isomerase [Humicola insolens]" . . . . . 97.74 505 98.46 99.23 2.09e-81 . . . . 6971 1 6 no GB AEO66019 . "hypothetical protein THITE_2113741 [Thielavia terrestris NRRL 8126]" . . . . . 97.74 505 98.46 99.23 1.89e-81 . . . . 6971 1 7 no PRF 2018168A . "protein disulfide isomerase" . . . . . 97.74 505 98.46 99.23 2.09e-81 . . . . 6971 1 8 no REF XP_003652355 . "hypothetical protein THITE_2113741 [Thielavia terrestris NRRL 8126]" . . . . . 97.74 505 98.46 99.23 1.89e-81 . . . . 6971 1 9 no SP P55059 . "RecName: Full=Protein disulfide-isomerase; Short=PDI; Flags: Precursor [Humicola insolens]" . . . . . 97.74 505 98.46 99.23 2.09e-81 . . . . 6971 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 1 203 GLY . 6971 1 2 204 PRO . 6971 1 3 205 LEU . 6971 1 4 206 GLY . 6971 1 5 207 SER . 6971 1 6 208 PRO . 6971 1 7 209 LEU . 6971 1 8 210 ILE . 6971 1 9 211 GLY . 6971 1 10 212 GLU . 6971 1 11 213 ILE . 6971 1 12 214 GLY . 6971 1 13 215 PRO . 6971 1 14 216 GLU . 6971 1 15 217 THR . 6971 1 16 218 TYR . 6971 1 17 219 SER . 6971 1 18 220 ASP . 6971 1 19 221 TYR . 6971 1 20 222 MET . 6971 1 21 223 SER . 6971 1 22 224 ALA . 6971 1 23 225 GLY . 6971 1 24 226 ILE . 6971 1 25 227 PRO . 6971 1 26 228 LEU . 6971 1 27 229 ALA . 6971 1 28 230 TYR . 6971 1 29 231 ILE . 6971 1 30 232 PHE . 6971 1 31 233 ALA . 6971 1 32 234 GLU . 6971 1 33 235 THR . 6971 1 34 236 ALA . 6971 1 35 237 GLU . 6971 1 36 238 GLU . 6971 1 37 239 ARG . 6971 1 38 240 LYS . 6971 1 39 241 GLU . 6971 1 40 242 LEU . 6971 1 41 243 SER . 6971 1 42 244 ASP . 6971 1 43 245 LYS . 6971 1 44 246 LEU . 6971 1 45 247 LYS . 6971 1 46 248 PRO . 6971 1 47 249 ILE . 6971 1 48 250 ALA . 6971 1 49 251 GLU . 6971 1 50 252 ALA . 6971 1 51 253 GLN . 6971 1 52 254 ARG . 6971 1 53 255 GLY . 6971 1 54 256 VAL . 6971 1 55 257 ILE . 6971 1 56 258 ASN . 6971 1 57 259 PHE . 6971 1 58 260 GLY . 6971 1 59 261 THR . 6971 1 60 262 ILE . 6971 1 61 263 ASP . 6971 1 62 264 ALA . 6971 1 63 265 LYS . 6971 1 64 266 ALA . 6971 1 65 267 PHE . 6971 1 66 268 GLY . 6971 1 67 269 ALA . 6971 1 68 270 HIS . 6971 1 69 271 ALA . 6971 1 70 272 GLY . 6971 1 71 273 ASN . 6971 1 72 274 LEU . 6971 1 73 275 ASN . 6971 1 74 276 LEU . 6971 1 75 277 LYS . 6971 1 76 278 THR . 6971 1 77 279 ASP . 6971 1 78 280 LYS . 6971 1 79 281 PHE . 6971 1 80 282 PRO . 6971 1 81 283 ALA . 6971 1 82 284 PHE . 6971 1 83 285 ALA . 6971 1 84 286 ILE . 6971 1 85 287 GLN . 6971 1 86 288 GLU . 6971 1 87 289 VAL . 6971 1 88 290 ALA . 6971 1 89 291 LYS . 6971 1 90 292 ASN . 6971 1 91 293 GLN . 6971 1 92 294 LYS . 6971 1 93 295 PHE . 6971 1 94 296 PRO . 6971 1 95 297 PHE . 6971 1 96 298 ASP . 6971 1 97 299 GLN . 6971 1 98 300 GLU . 6971 1 99 301 LYS . 6971 1 100 302 GLU . 6971 1 101 303 ILE . 6971 1 102 304 THR . 6971 1 103 305 PHE . 6971 1 104 306 GLU . 6971 1 105 307 ALA . 6971 1 106 308 ILE . 6971 1 107 309 LYS . 6971 1 108 310 ALA . 6971 1 109 311 PHE . 6971 1 110 312 VAL . 6971 1 111 313 ASP . 6971 1 112 314 ASP . 6971 1 113 315 PHE . 6971 1 114 316 VAL . 6971 1 115 317 ALA . 6971 1 116 318 GLY . 6971 1 117 319 LYS . 6971 1 118 320 ILE . 6971 1 119 321 GLU . 6971 1 120 322 PRO . 6971 1 121 323 SER . 6971 1 122 324 ILE . 6971 1 123 325 LYS . 6971 1 124 326 SER . 6971 1 125 327 GLU . 6971 1 126 328 PRO . 6971 1 127 329 ILE . 6971 1 128 330 PRO . 6971 1 129 331 GLU . 6971 1 130 332 LYS . 6971 1 131 333 GLN . 6971 1 132 334 GLU . 6971 1 133 335 GLY . 6971 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6971 1 . PRO 2 2 6971 1 . LEU 3 3 6971 1 . GLY 4 4 6971 1 . SER 5 5 6971 1 . PRO 6 6 6971 1 . LEU 7 7 6971 1 . ILE 8 8 6971 1 . GLY 9 9 6971 1 . GLU 10 10 6971 1 . ILE 11 11 6971 1 . GLY 12 12 6971 1 . PRO 13 13 6971 1 . GLU 14 14 6971 1 . THR 15 15 6971 1 . TYR 16 16 6971 1 . SER 17 17 6971 1 . ASP 18 18 6971 1 . TYR 19 19 6971 1 . MET 20 20 6971 1 . SER 21 21 6971 1 . ALA 22 22 6971 1 . GLY 23 23 6971 1 . ILE 24 24 6971 1 . PRO 25 25 6971 1 . LEU 26 26 6971 1 . ALA 27 27 6971 1 . TYR 28 28 6971 1 . ILE 29 29 6971 1 . PHE 30 30 6971 1 . ALA 31 31 6971 1 . GLU 32 32 6971 1 . THR 33 33 6971 1 . ALA 34 34 6971 1 . GLU 35 35 6971 1 . GLU 36 36 6971 1 . ARG 37 37 6971 1 . LYS 38 38 6971 1 . GLU 39 39 6971 1 . LEU 40 40 6971 1 . SER 41 41 6971 1 . ASP 42 42 6971 1 . LYS 43 43 6971 1 . LEU 44 44 6971 1 . LYS 45 45 6971 1 . PRO 46 46 6971 1 . ILE 47 47 6971 1 . ALA 48 48 6971 1 . GLU 49 49 6971 1 . ALA 50 50 6971 1 . GLN 51 51 6971 1 . ARG 52 52 6971 1 . GLY 53 53 6971 1 . VAL 54 54 6971 1 . ILE 55 55 6971 1 . ASN 56 56 6971 1 . PHE 57 57 6971 1 . GLY 58 58 6971 1 . THR 59 59 6971 1 . ILE 60 60 6971 1 . ASP 61 61 6971 1 . ALA 62 62 6971 1 . LYS 63 63 6971 1 . ALA 64 64 6971 1 . PHE 65 65 6971 1 . GLY 66 66 6971 1 . ALA 67 67 6971 1 . HIS 68 68 6971 1 . ALA 69 69 6971 1 . GLY 70 70 6971 1 . ASN 71 71 6971 1 . LEU 72 72 6971 1 . ASN 73 73 6971 1 . LEU 74 74 6971 1 . LYS 75 75 6971 1 . THR 76 76 6971 1 . ASP 77 77 6971 1 . LYS 78 78 6971 1 . PHE 79 79 6971 1 . PRO 80 80 6971 1 . ALA 81 81 6971 1 . PHE 82 82 6971 1 . ALA 83 83 6971 1 . ILE 84 84 6971 1 . GLN 85 85 6971 1 . GLU 86 86 6971 1 . VAL 87 87 6971 1 . ALA 88 88 6971 1 . LYS 89 89 6971 1 . ASN 90 90 6971 1 . GLN 91 91 6971 1 . LYS 92 92 6971 1 . PHE 93 93 6971 1 . PRO 94 94 6971 1 . PHE 95 95 6971 1 . ASP 96 96 6971 1 . GLN 97 97 6971 1 . GLU 98 98 6971 1 . LYS 99 99 6971 1 . GLU 100 100 6971 1 . ILE 101 101 6971 1 . THR 102 102 6971 1 . PHE 103 103 6971 1 . GLU 104 104 6971 1 . ALA 105 105 6971 1 . ILE 106 106 6971 1 . LYS 107 107 6971 1 . ALA 108 108 6971 1 . PHE 109 109 6971 1 . VAL 110 110 6971 1 . ASP 111 111 6971 1 . ASP 112 112 6971 1 . PHE 113 113 6971 1 . VAL 114 114 6971 1 . ALA 115 115 6971 1 . GLY 116 116 6971 1 . LYS 117 117 6971 1 . ILE 118 118 6971 1 . GLU 119 119 6971 1 . PRO 120 120 6971 1 . SER 121 121 6971 1 . ILE 122 122 6971 1 . LYS 123 123 6971 1 . SER 124 124 6971 1 . GLU 125 125 6971 1 . PRO 126 126 6971 1 . ILE 127 127 6971 1 . PRO 128 128 6971 1 . GLU 129 129 6971 1 . LYS 130 130 6971 1 . GLN 131 131 6971 1 . GLU 132 132 6971 1 . GLY 133 133 6971 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 6971 _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-PDI-b . 34413 organism . 'Humicola insolens' 'thermophilic fungus' . . Eukaryota Fungi Humicola insolens . . . . . . . . . . . . . . . . . . . . . 6971 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 6971 _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-PDI-b . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6971 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6971 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 PDI-b' '[U-13C; U-15N]' . . 1 $entity-PDI-b . . 1 . . mM . . . . 6971 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6971 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 pH 6971 1 temperature 310 1 K 6971 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6971 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 6971 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 6971 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6971 _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 '1H15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6971 1 2 '1H13C HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6971 1 3 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6971 1 4 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6971 1 5 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6971 1 6 HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6971 1 7 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6971 1 8 CBCANH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6971 1 9 HBHA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6971 1 10 '15N-edited TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6971 1 11 H(CC)(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6971 1 12 C(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6971 1 13 HCCH-COSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6971 1 14 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6971 1 15 '1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6971 1 16 '1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6971 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6971 _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 0.0 . indirect 0.251449530 . . . . . . . . . 6971 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 6971 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6971 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6971 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 6971 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 7 7 LEU H H 1 8.31 0.04 . 1 . . . . 209 LEU H . 6971 1 2 . 1 1 7 7 LEU HA H 1 4.17 0.04 . 1 . . . . 209 LEU HA . 6971 1 3 . 1 1 7 7 LEU HB2 H 1 1.66 0.04 . 2 . . . . 209 LEU HB2 . 6971 1 4 . 1 1 7 7 LEU HB3 H 1 1.56 0.04 . 2 . . . . 209 LEU HB3 . 6971 1 5 . 1 1 7 7 LEU C C 13 171.8 0.5 . 1 . . . . 209 LEU C . 6971 1 6 . 1 1 7 7 LEU CA C 13 57.5 0.5 . 1 . . . . 209 LEU CA . 6971 1 7 . 1 1 7 7 LEU CB C 13 42.5 0.5 . 1 . . . . 209 LEU CB . 6971 1 8 . 1 1 7 7 LEU N N 15 123.7 0.5 . 1 . . . . 209 LEU N . 6971 1 9 . 1 1 8 8 ILE H H 1 7.85 0.04 . 1 . . . . 210 ILE H . 6971 1 10 . 1 1 8 8 ILE HA H 1 4.46 0.04 . 1 . . . . 210 ILE HA . 6971 1 11 . 1 1 8 8 ILE HB H 1 1.88 0.04 . 1 . . . . 210 ILE HB . 6971 1 12 . 1 1 8 8 ILE HG12 H 1 1.42 0.04 . 2 . . . . 210 ILE HG12 . 6971 1 13 . 1 1 8 8 ILE HG13 H 1 0.86 0.04 . 2 . . . . 210 ILE HG13 . 6971 1 14 . 1 1 8 8 ILE HD11 H 1 0.73 0.04 . 1 . . . . 210 ILE HD1 . 6971 1 15 . 1 1 8 8 ILE HD12 H 1 0.73 0.04 . 1 . . . . 210 ILE HD1 . 6971 1 16 . 1 1 8 8 ILE HD13 H 1 0.73 0.04 . 1 . . . . 210 ILE HD1 . 6971 1 17 . 1 1 8 8 ILE C C 13 176.2 0.5 . 1 . . . . 210 ILE C . 6971 1 18 . 1 1 8 8 ILE CA C 13 60.9 0.5 . 1 . . . . 210 ILE CA . 6971 1 19 . 1 1 8 8 ILE CB C 13 37.5 0.5 . 1 . . . . 210 ILE CB . 6971 1 20 . 1 1 8 8 ILE CG1 C 13 27.4 0.5 . 1 . . . . 210 ILE CG1 . 6971 1 21 . 1 1 8 8 ILE CD1 C 13 13.0 0.5 . 1 . . . . 210 ILE CD1 . 6971 1 22 . 1 1 8 8 ILE N N 15 117.0 0.5 . 1 . . . . 210 ILE N . 6971 1 23 . 1 1 9 9 GLY H H 1 8.16 0.04 . 1 . . . . 211 GLY H . 6971 1 24 . 1 1 9 9 GLY HA2 H 1 3.85 0.04 . 2 . . . . 211 GLY HA2 . 6971 1 25 . 1 1 9 9 GLY HA3 H 1 4.41 0.04 . 2 . . . . 211 GLY HA3 . 6971 1 26 . 1 1 9 9 GLY C C 13 171.3 0.5 . 1 . . . . 211 GLY C . 6971 1 27 . 1 1 9 9 GLY CA C 13 44.0 0.5 . 1 . . . . 211 GLY CA . 6971 1 28 . 1 1 9 9 GLY N N 15 116.0 0.5 . 1 . . . . 211 GLY N . 6971 1 29 . 1 1 10 10 GLU H H 1 8.26 0.04 . 1 . . . . 212 GLU H . 6971 1 30 . 1 1 10 10 GLU HA H 1 4.84 0.04 . 1 . . . . 212 GLU HA . 6971 1 31 . 1 1 10 10 GLU HB2 H 1 1.87 0.04 . 1 . . . . 212 GLU HB2 . 6971 1 32 . 1 1 10 10 GLU HB3 H 1 1.87 0.04 . 1 . . . . 212 GLU HB3 . 6971 1 33 . 1 1 10 10 GLU HG2 H 1 2.23 0.04 . 2 . . . . 212 GLU HG2 . 6971 1 34 . 1 1 10 10 GLU HG3 H 1 2.02 0.04 . 2 . . . . 212 GLU HG3 . 6971 1 35 . 1 1 10 10 GLU C C 13 176.5 0.5 . 1 . . . . 212 GLU C . 6971 1 36 . 1 1 10 10 GLU CA C 13 55.2 0.5 . 1 . . . . 212 GLU CA . 6971 1 37 . 1 1 10 10 GLU CB C 13 31.7 0.5 . 1 . . . . 212 GLU CB . 6971 1 38 . 1 1 10 10 GLU CG C 13 36.5 0.5 . 1 . . . . 212 GLU CG . 6971 1 39 . 1 1 10 10 GLU N N 15 118.5 0.5 . 1 . . . . 212 GLU N . 6971 1 40 . 1 1 11 11 ILE H H 1 9.48 0.04 . 1 . . . . 213 ILE H . 6971 1 41 . 1 1 11 11 ILE HA H 1 3.75 0.04 . 1 . . . . 213 ILE HA . 6971 1 42 . 1 1 11 11 ILE HB H 1 1.41 0.04 . 1 . . . . 213 ILE HB . 6971 1 43 . 1 1 11 11 ILE HG12 H 1 1.00 0.04 . 2 . . . . 213 ILE HG12 . 6971 1 44 . 1 1 11 11 ILE HG13 H 1 0.06 0.04 . 2 . . . . 213 ILE HG13 . 6971 1 45 . 1 1 11 11 ILE HG21 H 1 0.56 0.04 . 1 . . . . 213 ILE HG2 . 6971 1 46 . 1 1 11 11 ILE HG22 H 1 0.56 0.04 . 1 . . . . 213 ILE HG2 . 6971 1 47 . 1 1 11 11 ILE HG23 H 1 0.56 0.04 . 1 . . . . 213 ILE HG2 . 6971 1 48 . 1 1 11 11 ILE HD11 H 1 -0.22 0.04 . 1 . . . . 213 ILE HD1 . 6971 1 49 . 1 1 11 11 ILE HD12 H 1 -0.22 0.04 . 1 . . . . 213 ILE HD1 . 6971 1 50 . 1 1 11 11 ILE HD13 H 1 -0.22 0.04 . 1 . . . . 213 ILE HD1 . 6971 1 51 . 1 1 11 11 ILE C C 13 173.3 0.5 . 1 . . . . 213 ILE C . 6971 1 52 . 1 1 11 11 ILE CA C 13 61.8 0.5 . 1 . . . . 213 ILE CA . 6971 1 53 . 1 1 11 11 ILE CB C 13 38.1 0.5 . 1 . . . . 213 ILE CB . 6971 1 54 . 1 1 11 11 ILE CG1 C 13 27.3 0.5 . 1 . . . . 213 ILE CG1 . 6971 1 55 . 1 1 11 11 ILE CG2 C 13 18.2 0.5 . 1 . . . . 213 ILE CG2 . 6971 1 56 . 1 1 11 11 ILE CD1 C 13 14.4 0.5 . 1 . . . . 213 ILE CD1 . 6971 1 57 . 1 1 11 11 ILE N N 15 129.3 0.5 . 1 . . . . 213 ILE N . 6971 1 58 . 1 1 12 12 GLY H H 1 7.60 0.04 . 1 . . . . 214 GLY H . 6971 1 59 . 1 1 12 12 GLY HA2 H 1 3.82 0.04 . 2 . . . . 214 GLY HA2 . 6971 1 60 . 1 1 12 12 GLY HA3 H 1 3.97 0.04 . 2 . . . . 214 GLY HA3 . 6971 1 61 . 1 1 12 12 GLY C C 13 171.3 0.5 . 1 . . . . 214 GLY C . 6971 1 62 . 1 1 12 12 GLY CA C 13 44.5 0.5 . 1 . . . . 214 GLY CA . 6971 1 63 . 1 1 12 12 GLY N N 15 114.2 0.5 . 1 . . . . 214 GLY N . 6971 1 64 . 1 1 13 13 PRO HA H 1 4.16 0.04 . 1 . . . . 215 PRO HA . 6971 1 65 . 1 1 13 13 PRO HB2 H 1 2.39 0.04 . 2 . . . . 215 PRO HB2 . 6971 1 66 . 1 1 13 13 PRO HB3 H 1 1.98 0.04 . 2 . . . . 215 PRO HB3 . 6971 1 67 . 1 1 13 13 PRO HG2 H 1 2.25 0.04 . 2 . . . . 215 PRO HG2 . 6971 1 68 . 1 1 13 13 PRO HG3 H 1 1.90 0.04 . 2 . . . . 215 PRO HG3 . 6971 1 69 . 1 1 13 13 PRO HD2 H 1 3.71 0.04 . 2 . . . . 215 PRO HD2 . 6971 1 70 . 1 1 13 13 PRO HD3 H 1 3.01 0.04 . 2 . . . . 215 PRO HD3 . 6971 1 71 . 1 1 13 13 PRO C C 13 178.3 0.5 . 1 . . . . 215 PRO C . 6971 1 72 . 1 1 13 13 PRO CA C 13 65.6 0.5 . 1 . . . . 215 PRO CA . 6971 1 73 . 1 1 13 13 PRO CB C 13 32.1 0.5 . 1 . . . . 215 PRO CB . 6971 1 74 . 1 1 13 13 PRO CG C 13 27.5 0.5 . 1 . . . . 215 PRO CG . 6971 1 75 . 1 1 13 13 PRO CD C 13 49.4 0.5 . 1 . . . . 215 PRO CD . 6971 1 76 . 1 1 14 14 GLU H H 1 8.86 0.04 . 1 . . . . 216 GLU H . 6971 1 77 . 1 1 14 14 GLU HA H 1 4.37 0.04 . 1 . . . . 216 GLU HA . 6971 1 78 . 1 1 14 14 GLU HB2 H 1 2.16 0.04 . 2 . . . . 216 GLU HB2 . 6971 1 79 . 1 1 14 14 GLU HB3 H 1 2.09 0.04 . 2 . . . . 216 GLU HB3 . 6971 1 80 . 1 1 14 14 GLU HG2 H 1 2.34 0.04 . 1 . . . . 216 GLU HG2 . 6971 1 81 . 1 1 14 14 GLU HG3 H 1 2.34 0.04 . 1 . . . . 216 GLU HG3 . 6971 1 82 . 1 1 14 14 GLU C C 13 177.9 0.5 . 1 . . . . 216 GLU C . 6971 1 83 . 1 1 14 14 GLU CA C 13 58.3 0.5 . 1 . . . . 216 GLU CA . 6971 1 84 . 1 1 14 14 GLU CB C 13 29.9 0.5 . 1 . . . . 216 GLU CB . 6971 1 85 . 1 1 14 14 GLU CG C 13 36.8 0.5 . 1 . . . . 216 GLU CG . 6971 1 86 . 1 1 14 14 GLU N N 15 114.8 0.5 . 1 . . . . 216 GLU N . 6971 1 87 . 1 1 15 15 THR H H 1 7.70 0.04 . 1 . . . . 217 THR H . 6971 1 88 . 1 1 15 15 THR HA H 1 4.58 0.04 . 1 . . . . 217 THR HA . 6971 1 89 . 1 1 15 15 THR HB H 1 4.45 0.04 . 1 . . . . 217 THR HB . 6971 1 90 . 1 1 15 15 THR HG21 H 1 1.26 0.04 . 1 . . . . 217 THR HG2 . 6971 1 91 . 1 1 15 15 THR HG22 H 1 1.26 0.04 . 1 . . . . 217 THR HG2 . 6971 1 92 . 1 1 15 15 THR HG23 H 1 1.26 0.04 . 1 . . . . 217 THR HG2 . 6971 1 93 . 1 1 15 15 THR C C 13 176.5 0.5 . 1 . . . . 217 THR C . 6971 1 94 . 1 1 15 15 THR CA C 13 61.4 0.5 . 1 . . . . 217 THR CA . 6971 1 95 . 1 1 15 15 THR CB C 13 70.9 0.5 . 1 . . . . 217 THR CB . 6971 1 96 . 1 1 15 15 THR CG2 C 13 22.6 0.5 . 1 . . . . 217 THR CG2 . 6971 1 97 . 1 1 15 15 THR N N 15 108.0 0.5 . 1 . . . . 217 THR N . 6971 1 98 . 1 1 16 16 TYR H H 1 8.44 0.04 . 1 . . . . 218 TYR H . 6971 1 99 . 1 1 16 16 TYR HA H 1 4.12 0.04 . 1 . . . . 218 TYR HA . 6971 1 100 . 1 1 16 16 TYR HB2 H 1 3.06 0.04 . 2 . . . . 218 TYR HB2 . 6971 1 101 . 1 1 16 16 TYR HB3 H 1 2.86 0.04 . 2 . . . . 218 TYR HB3 . 6971 1 102 . 1 1 16 16 TYR HD1 H 1 6.82 0.04 . 1 . . . . 218 TYR HD1 . 6971 1 103 . 1 1 16 16 TYR HD2 H 1 6.82 0.04 . 1 . . . . 218 TYR HD2 . 6971 1 104 . 1 1 16 16 TYR HE1 H 1 6.89 0.04 . 1 . . . . 218 TYR HE1 . 6971 1 105 . 1 1 16 16 TYR C C 13 176.9 0.5 . 1 . . . . 218 TYR C . 6971 1 106 . 1 1 16 16 TYR CA C 13 63.1 0.5 . 1 . . . . 218 TYR CA . 6971 1 107 . 1 1 16 16 TYR CB C 13 38.8 0.5 . 1 . . . . 218 TYR CB . 6971 1 108 . 1 1 16 16 TYR CE1 C 13 115.3 0.5 . 1 . . . . 218 TYR CE1 . 6971 1 109 . 1 1 16 16 TYR N N 15 124.3 0.5 . 1 . . . . 218 TYR N . 6971 1 110 . 1 1 17 17 SER H H 1 8.67 0.04 . 1 . . . . 219 SER H . 6971 1 111 . 1 1 17 17 SER HA H 1 3.91 0.04 . 1 . . . . 219 SER HA . 6971 1 112 . 1 1 17 17 SER HB2 H 1 3.89 0.04 . 1 . . . . 219 SER HB2 . 6971 1 113 . 1 1 17 17 SER HB3 H 1 3.89 0.04 . 1 . . . . 219 SER HB3 . 6971 1 114 . 1 1 17 17 SER C C 13 177.1 0.5 . 1 . . . . 219 SER C . 6971 1 115 . 1 1 17 17 SER CA C 13 62.2 0.5 . 1 . . . . 219 SER CA . 6971 1 116 . 1 1 17 17 SER N N 15 112.8 0.5 . 1 . . . . 219 SER N . 6971 1 117 . 1 1 18 18 ASP H H 1 7.71 0.04 . 1 . . . . 220 ASP H . 6971 1 118 . 1 1 18 18 ASP HA H 1 4.33 0.04 . 1 . . . . 220 ASP HA . 6971 1 119 . 1 1 18 18 ASP HB2 H 1 2.59 0.04 . 2 . . . . 220 ASP HB2 . 6971 1 120 . 1 1 18 18 ASP HB3 H 1 2.38 0.04 . 2 . . . . 220 ASP HB3 . 6971 1 121 . 1 1 18 18 ASP C C 13 179.5 0.5 . 1 . . . . 220 ASP C . 6971 1 122 . 1 1 18 18 ASP CA C 13 57.2 0.5 . 1 . . . . 220 ASP CA . 6971 1 123 . 1 1 18 18 ASP CB C 13 40.0 0.5 . 1 . . . . 220 ASP CB . 6971 1 124 . 1 1 18 18 ASP N N 15 123.5 0.5 . 1 . . . . 220 ASP N . 6971 1 125 . 1 1 19 19 TYR H H 1 7.81 0.04 . 1 . . . . 221 TYR H . 6971 1 126 . 1 1 19 19 TYR HA H 1 4.16 0.04 . 1 . . . . 221 TYR HA . 6971 1 127 . 1 1 19 19 TYR HB2 H 1 2.88 0.04 . 2 . . . . 221 TYR HB2 . 6971 1 128 . 1 1 19 19 TYR HB3 H 1 2.74 0.04 . 2 . . . . 221 TYR HB3 . 6971 1 129 . 1 1 19 19 TYR HD1 H 1 6.91 0.04 . 1 . . . . 221 TYR HD1 . 6971 1 130 . 1 1 19 19 TYR HD2 H 1 6.91 0.04 . 1 . . . . 221 TYR HD2 . 6971 1 131 . 1 1 19 19 TYR HE1 H 1 6.58 0.04 . 1 . . . . 221 TYR HE1 . 6971 1 132 . 1 1 19 19 TYR HE2 H 1 6.58 0.04 . 1 . . . . 221 TYR HE2 . 6971 1 133 . 1 1 19 19 TYR C C 13 179.7 0.5 . 1 . . . . 221 TYR C . 6971 1 134 . 1 1 19 19 TYR CA C 13 62.3 0.5 . 1 . . . . 221 TYR CA . 6971 1 135 . 1 1 19 19 TYR CB C 13 38.4 0.5 . 1 . . . . 221 TYR CB . 6971 1 136 . 1 1 19 19 TYR CE1 C 13 117.0 0.5 . 1 . . . . 221 TYR CE1 . 6971 1 137 . 1 1 19 19 TYR N N 15 119.8 0.5 . 1 . . . . 221 TYR N . 6971 1 138 . 1 1 20 20 MET H H 1 8.19 0.04 . 1 . . . . 222 MET H . 6971 1 139 . 1 1 20 20 MET HA H 1 4.43 0.04 . 1 . . . . 222 MET HA . 6971 1 140 . 1 1 20 20 MET HB2 H 1 2.04 0.04 . 2 . . . . 222 MET HB2 . 6971 1 141 . 1 1 20 20 MET HB3 H 1 1.77 0.04 . 2 . . . . 222 MET HB3 . 6971 1 142 . 1 1 20 20 MET HG2 H 1 2.33 0.04 . 1 . . . . 222 MET HG2 . 6971 1 143 . 1 1 20 20 MET HG3 H 1 2.33 0.04 . 1 . . . . 222 MET HG3 . 6971 1 144 . 1 1 20 20 MET HE1 H 1 1.71 0.04 . 1 . . . . 222 MET HE . 6971 1 145 . 1 1 20 20 MET HE2 H 1 1.71 0.04 . 1 . . . . 222 MET HE . 6971 1 146 . 1 1 20 20 MET HE3 H 1 1.71 0.04 . 1 . . . . 222 MET HE . 6971 1 147 . 1 1 20 20 MET C C 13 178.5 0.5 . 1 . . . . 222 MET C . 6971 1 148 . 1 1 20 20 MET CA C 13 56.8 0.5 . 1 . . . . 222 MET CA . 6971 1 149 . 1 1 20 20 MET CB C 13 33.1 0.5 . 1 . . . . 222 MET CB . 6971 1 150 . 1 1 20 20 MET CE C 13 19.7 0.5 . 1 . . . . 222 MET CE . 6971 1 151 . 1 1 20 20 MET N N 15 118.4 0.5 . 1 . . . . 222 MET N . 6971 1 152 . 1 1 21 21 SER H H 1 8.05 0.04 . 1 . . . . 223 SER H . 6971 1 153 . 1 1 21 21 SER HA H 1 4.30 0.04 . 1 . . . . 223 SER HA . 6971 1 154 . 1 1 21 21 SER HB2 H 1 4.00 0.04 . 2 . . . . 223 SER HB2 . 6971 1 155 . 1 1 21 21 SER HB3 H 1 3.94 0.04 . 2 . . . . 223 SER HB3 . 6971 1 156 . 1 1 21 21 SER C C 13 175.3 0.5 . 1 . . . . 223 SER C . 6971 1 157 . 1 1 21 21 SER CA C 13 59.9 0.5 . 1 . . . . 223 SER CA . 6971 1 158 . 1 1 21 21 SER CB C 13 63.3 0.5 . 1 . . . . 223 SER CB . 6971 1 159 . 1 1 21 21 SER N N 15 115.6 0.5 . 1 . . . . 223 SER N . 6971 1 160 . 1 1 22 22 ALA H H 1 7.32 0.04 . 1 . . . . 224 ALA H . 6971 1 161 . 1 1 22 22 ALA HA H 1 4.19 0.04 . 1 . . . . 224 ALA HA . 6971 1 162 . 1 1 22 22 ALA HB1 H 1 1.61 0.04 . 1 . . . . 224 ALA HB . 6971 1 163 . 1 1 22 22 ALA HB2 H 1 1.61 0.04 . 1 . . . . 224 ALA HB . 6971 1 164 . 1 1 22 22 ALA HB3 H 1 1.61 0.04 . 1 . . . . 224 ALA HB . 6971 1 165 . 1 1 22 22 ALA C C 13 179.8 0.5 . 1 . . . . 224 ALA C . 6971 1 166 . 1 1 22 22 ALA CA C 13 54.0 0.5 . 1 . . . . 224 ALA CA . 6971 1 167 . 1 1 22 22 ALA CB C 13 19.1 0.5 . 1 . . . . 224 ALA CB . 6971 1 168 . 1 1 22 22 ALA N N 15 123.0 0.5 . 1 . . . . 224 ALA N . 6971 1 169 . 1 1 23 23 GLY H H 1 7.62 0.04 . 1 . . . . 225 GLY H . 6971 1 170 . 1 1 23 23 GLY HA2 H 1 3.65 0.04 . 2 . . . . 225 GLY HA2 . 6971 1 171 . 1 1 23 23 GLY HA3 H 1 4.12 0.04 . 2 . . . . 225 GLY HA3 . 6971 1 172 . 1 1 23 23 GLY C C 13 173.3 0.5 . 1 . . . . 225 GLY C . 6971 1 173 . 1 1 23 23 GLY CA C 13 46.2 0.5 . 1 . . . . 225 GLY CA . 6971 1 174 . 1 1 23 23 GLY N N 15 102.2 0.5 . 1 . . . . 225 GLY N . 6971 1 175 . 1 1 24 24 ILE H H 1 6.74 0.04 . 1 . . . . 226 ILE H . 6971 1 176 . 1 1 24 24 ILE HA H 1 4.92 0.04 . 1 . . . . 226 ILE HA . 6971 1 177 . 1 1 24 24 ILE HB H 1 2.16 0.04 . 1 . . . . 226 ILE HB . 6971 1 178 . 1 1 24 24 ILE HG12 H 1 1.40 0.04 . 2 . . . . 226 ILE HG12 . 6971 1 179 . 1 1 24 24 ILE HG13 H 1 0.77 0.04 . 2 . . . . 226 ILE HG13 . 6971 1 180 . 1 1 24 24 ILE HG21 H 1 0.93 0.04 . 1 . . . . 226 ILE HG2 . 6971 1 181 . 1 1 24 24 ILE HG22 H 1 0.93 0.04 . 1 . . . . 226 ILE HG2 . 6971 1 182 . 1 1 24 24 ILE HG23 H 1 0.93 0.04 . 1 . . . . 226 ILE HG2 . 6971 1 183 . 1 1 24 24 ILE HD11 H 1 0.57 0.04 . 1 . . . . 226 ILE HD1 . 6971 1 184 . 1 1 24 24 ILE HD12 H 1 0.57 0.04 . 1 . . . . 226 ILE HD1 . 6971 1 185 . 1 1 24 24 ILE HD13 H 1 0.57 0.04 . 1 . . . . 226 ILE HD1 . 6971 1 186 . 1 1 24 24 ILE C C 13 172.9 0.5 . 1 . . . . 226 ILE C . 6971 1 187 . 1 1 24 24 ILE CA C 13 58.6 0.5 . 1 . . . . 226 ILE CA . 6971 1 188 . 1 1 24 24 ILE CB C 13 38.0 0.5 . 1 . . . . 226 ILE CB . 6971 1 189 . 1 1 24 24 ILE CG1 C 13 25.8 0.5 . 1 . . . . 226 ILE CG1 . 6971 1 190 . 1 1 24 24 ILE CG2 C 13 17.7 0.5 . 1 . . . . 226 ILE CG2 . 6971 1 191 . 1 1 24 24 ILE CD1 C 13 13.1 0.5 . 1 . . . . 226 ILE CD1 . 6971 1 192 . 1 1 24 24 ILE N N 15 114.6 0.5 . 1 . . . . 226 ILE N . 6971 1 193 . 1 1 25 25 PRO HA H 1 4.24 0.04 . 1 . . . . 227 PRO HA . 6971 1 194 . 1 1 25 25 PRO HG2 H 1 2.36 0.04 . 2 . . . . 227 PRO HG2 . 6971 1 195 . 1 1 25 25 PRO HG3 H 1 2.26 0.04 . 2 . . . . 227 PRO HG3 . 6971 1 196 . 1 1 25 25 PRO HD2 H 1 4.36 0.04 . 2 . . . . 227 PRO HD2 . 6971 1 197 . 1 1 25 25 PRO HD3 H 1 4.05 0.04 . 2 . . . . 227 PRO HD3 . 6971 1 198 . 1 1 25 25 PRO CA C 13 64.6 0.5 . 1 . . . . 227 PRO CA . 6971 1 199 . 1 1 25 25 PRO CB C 13 32.8 0.5 . 1 . . . . 227 PRO CB . 6971 1 200 . 1 1 25 25 PRO CG C 13 28.1 0.5 . 1 . . . . 227 PRO CG . 6971 1 201 . 1 1 25 25 PRO CD C 13 50.9 0.5 . 1 . . . . 227 PRO CD . 6971 1 202 . 1 1 26 26 LEU H H 1 8.26 0.04 . 1 . . . . 228 LEU H . 6971 1 203 . 1 1 26 26 LEU HA H 1 4.77 0.04 . 1 . . . . 228 LEU HA . 6971 1 204 . 1 1 26 26 LEU HB2 H 1 1.55 0.04 . 2 . . . . 228 LEU HB2 . 6971 1 205 . 1 1 26 26 LEU HB3 H 1 1.12 0.04 . 2 . . . . 228 LEU HB3 . 6971 1 206 . 1 1 26 26 LEU HG H 1 0.14 0.04 . 1 . . . . 228 LEU HG . 6971 1 207 . 1 1 26 26 LEU HD11 H 1 0.33 0.04 . 2 . . . . 228 LEU HD1 . 6971 1 208 . 1 1 26 26 LEU HD12 H 1 0.33 0.04 . 2 . . . . 228 LEU HD1 . 6971 1 209 . 1 1 26 26 LEU HD13 H 1 0.33 0.04 . 2 . . . . 228 LEU HD1 . 6971 1 210 . 1 1 26 26 LEU HD21 H 1 -0.12 0.04 . 2 . . . . 228 LEU HD2 . 6971 1 211 . 1 1 26 26 LEU HD22 H 1 -0.12 0.04 . 2 . . . . 228 LEU HD2 . 6971 1 212 . 1 1 26 26 LEU HD23 H 1 -0.12 0.04 . 2 . . . . 228 LEU HD2 . 6971 1 213 . 1 1 26 26 LEU C C 13 173.4 0.5 . 1 . . . . 228 LEU C . 6971 1 214 . 1 1 26 26 LEU CA C 13 52.4 0.5 . 1 . . . . 228 LEU CA . 6971 1 215 . 1 1 26 26 LEU CB C 13 46.0 0.5 . 1 . . . . 228 LEU CB . 6971 1 216 . 1 1 26 26 LEU CG C 13 26.0 0.5 . 1 . . . . 228 LEU CG . 6971 1 217 . 1 1 26 26 LEU CD2 C 13 22.0 0.5 . 1 . . . . 228 LEU CD2 . 6971 1 218 . 1 1 26 26 LEU N N 15 123.5 0.5 . 1 . . . . 228 LEU N . 6971 1 219 . 1 1 27 27 ALA H H 1 9.28 0.04 . 1 . . . . 229 ALA H . 6971 1 220 . 1 1 27 27 ALA HA H 1 4.75 0.04 . 1 . . . . 229 ALA HA . 6971 1 221 . 1 1 27 27 ALA HB1 H 1 0.31 0.04 . 1 . . . . 229 ALA HB . 6971 1 222 . 1 1 27 27 ALA HB2 H 1 0.31 0.04 . 1 . . . . 229 ALA HB . 6971 1 223 . 1 1 27 27 ALA HB3 H 1 0.31 0.04 . 1 . . . . 229 ALA HB . 6971 1 224 . 1 1 27 27 ALA C C 13 174.3 0.5 . 1 . . . . 229 ALA C . 6971 1 225 . 1 1 27 27 ALA CA C 13 49.5 0.5 . 1 . . . . 229 ALA CA . 6971 1 226 . 1 1 27 27 ALA CB C 13 20.1 0.5 . 1 . . . . 229 ALA CB . 6971 1 227 . 1 1 27 27 ALA N N 15 130.6 0.5 . 1 . . . . 229 ALA N . 6971 1 228 . 1 1 28 28 TYR H H 1 8.67 0.04 . 1 . . . . 230 TYR H . 6971 1 229 . 1 1 28 28 TYR HA H 1 4.18 0.04 . 1 . . . . 230 TYR HA . 6971 1 230 . 1 1 28 28 TYR HB2 H 1 2.77 0.04 . 2 . . . . 230 TYR HB2 . 6971 1 231 . 1 1 28 28 TYR HB3 H 1 2.17 0.04 . 2 . . . . 230 TYR HB3 . 6971 1 232 . 1 1 28 28 TYR HD1 H 1 6.72 0.04 . 1 . . . . 230 TYR HD1 . 6971 1 233 . 1 1 28 28 TYR HD2 H 1 6.72 0.04 . 1 . . . . 230 TYR HD2 . 6971 1 234 . 1 1 28 28 TYR HE1 H 1 6.68 0.04 . 1 . . . . 230 TYR HE1 . 6971 1 235 . 1 1 28 28 TYR HE2 H 1 6.68 0.04 . 1 . . . . 230 TYR HE2 . 6971 1 236 . 1 1 28 28 TYR C C 13 175.0 0.5 . 1 . . . . 230 TYR C . 6971 1 237 . 1 1 28 28 TYR CA C 13 56.6 0.5 . 1 . . . . 230 TYR CA . 6971 1 238 . 1 1 28 28 TYR CB C 13 41.7 0.5 . 1 . . . . 230 TYR CB . 6971 1 239 . 1 1 28 28 TYR N N 15 120.5 0.5 . 1 . . . . 230 TYR N . 6971 1 240 . 1 1 29 29 ILE H H 1 8.45 0.04 . 1 . . . . 231 ILE H . 6971 1 241 . 1 1 29 29 ILE HA H 1 4.75 0.04 . 1 . . . . 231 ILE HA . 6971 1 242 . 1 1 29 29 ILE HB H 1 1.90 0.04 . 1 . . . . 231 ILE HB . 6971 1 243 . 1 1 29 29 ILE HG12 H 1 1.91 0.04 . 2 . . . . 231 ILE HG12 . 6971 1 244 . 1 1 29 29 ILE HG13 H 1 0.94 0.04 . 2 . . . . 231 ILE HG13 . 6971 1 245 . 1 1 29 29 ILE HG21 H 1 0.96 0.04 . 1 . . . . 231 ILE HG2 . 6971 1 246 . 1 1 29 29 ILE HG22 H 1 0.96 0.04 . 1 . . . . 231 ILE HG2 . 6971 1 247 . 1 1 29 29 ILE HG23 H 1 0.96 0.04 . 1 . . . . 231 ILE HG2 . 6971 1 248 . 1 1 29 29 ILE HD11 H 1 0.96 0.04 . 1 . . . . 231 ILE HD1 . 6971 1 249 . 1 1 29 29 ILE HD12 H 1 0.96 0.04 . 1 . . . . 231 ILE HD1 . 6971 1 250 . 1 1 29 29 ILE HD13 H 1 0.96 0.04 . 1 . . . . 231 ILE HD1 . 6971 1 251 . 1 1 29 29 ILE C C 13 175.7 0.5 . 1 . . . . 231 ILE C . 6971 1 252 . 1 1 29 29 ILE CA C 13 60.3 0.5 . 1 . . . . 231 ILE CA . 6971 1 253 . 1 1 29 29 ILE CB C 13 39.1 0.5 . 1 . . . . 231 ILE CB . 6971 1 254 . 1 1 29 29 ILE CG1 C 13 27.2 0.5 . 1 . . . . 231 ILE CG1 . 6971 1 255 . 1 1 29 29 ILE CG2 C 13 19.4 0.5 . 1 . . . . 231 ILE CG2 . 6971 1 256 . 1 1 29 29 ILE CD1 C 13 15.4 0.5 . 1 . . . . 231 ILE CD1 . 6971 1 257 . 1 1 29 29 ILE N N 15 120.0 0.5 . 1 . . . . 231 ILE N . 6971 1 258 . 1 1 30 30 PHE H H 1 9.57 0.04 . 1 . . . . 232 PHE H . 6971 1 259 . 1 1 30 30 PHE HA H 1 5.08 0.04 . 1 . . . . 232 PHE HA . 6971 1 260 . 1 1 30 30 PHE HB2 H 1 3.47 0.04 . 2 . . . . 232 PHE HB2 . 6971 1 261 . 1 1 30 30 PHE HB3 H 1 2.68 0.04 . 2 . . . . 232 PHE HB3 . 6971 1 262 . 1 1 30 30 PHE HD1 H 1 6.80 0.04 . 1 . . . . 232 PHE HD1 . 6971 1 263 . 1 1 30 30 PHE HD2 H 1 6.80 0.04 . 1 . . . . 232 PHE HD2 . 6971 1 264 . 1 1 30 30 PHE HE1 H 1 6.98 0.04 . 1 . . . . 232 PHE HE1 . 6971 1 265 . 1 1 30 30 PHE HE2 H 1 6.98 0.04 . 1 . . . . 232 PHE HE2 . 6971 1 266 . 1 1 30 30 PHE C C 13 176.9 0.5 . 1 . . . . 232 PHE C . 6971 1 267 . 1 1 30 30 PHE CA C 13 56.4 0.5 . 1 . . . . 232 PHE CA . 6971 1 268 . 1 1 30 30 PHE CB C 13 42.6 0.5 . 1 . . . . 232 PHE CB . 6971 1 269 . 1 1 30 30 PHE N N 15 125.1 0.5 . 1 . . . . 232 PHE N . 6971 1 270 . 1 1 31 31 ALA H H 1 7.83 0.04 . 1 . . . . 233 ALA H . 6971 1 271 . 1 1 31 31 ALA HA H 1 4.77 0.04 . 1 . . . . 233 ALA HA . 6971 1 272 . 1 1 31 31 ALA HB1 H 1 1.56 0.04 . 1 . . . . 233 ALA HB . 6971 1 273 . 1 1 31 31 ALA HB2 H 1 1.56 0.04 . 1 . . . . 233 ALA HB . 6971 1 274 . 1 1 31 31 ALA HB3 H 1 1.56 0.04 . 1 . . . . 233 ALA HB . 6971 1 275 . 1 1 31 31 ALA C C 13 178.7 0.5 . 1 . . . . 233 ALA C . 6971 1 276 . 1 1 31 31 ALA CA C 13 52.5 0.5 . 1 . . . . 233 ALA CA . 6971 1 277 . 1 1 31 31 ALA CB C 13 22.4 0.5 . 1 . . . . 233 ALA CB . 6971 1 278 . 1 1 31 31 ALA N N 15 117.7 0.5 . 1 . . . . 233 ALA N . 6971 1 279 . 1 1 32 32 GLU H H 1 10.51 0.04 . 1 . . . . 234 GLU H . 6971 1 280 . 1 1 32 32 GLU HA H 1 3.85 0.04 . 1 . . . . 234 GLU HA . 6971 1 281 . 1 1 32 32 GLU HB2 H 1 2.33 0.04 . 2 . . . . 234 GLU HB2 . 6971 1 282 . 1 1 32 32 GLU HB3 H 1 2.19 0.04 . 2 . . . . 234 GLU HB3 . 6971 1 283 . 1 1 32 32 GLU HG2 H 1 2.18 0.04 . 2 . . . . 234 GLU HG2 . 6971 1 284 . 1 1 32 32 GLU HG3 H 1 1.89 0.04 . 2 . . . . 234 GLU HG3 . 6971 1 285 . 1 1 32 32 GLU C C 13 175.5 0.5 . 1 . . . . 234 GLU C . 6971 1 286 . 1 1 32 32 GLU CA C 13 60.3 0.5 . 1 . . . . 234 GLU CA . 6971 1 287 . 1 1 32 32 GLU CB C 13 31.6 0.5 . 1 . . . . 234 GLU CB . 6971 1 288 . 1 1 32 32 GLU CG C 13 38.9 0.5 . 1 . . . . 234 GLU CG . 6971 1 289 . 1 1 32 32 GLU N N 15 125.7 0.5 . 1 . . . . 234 GLU N . 6971 1 290 . 1 1 33 33 THR H H 1 7.56 0.04 . 1 . . . . 235 THR H . 6971 1 291 . 1 1 33 33 THR HA H 1 4.94 0.04 . 1 . . . . 235 THR HA . 6971 1 292 . 1 1 33 33 THR HB H 1 4.70 0.04 . 1 . . . . 235 THR HB . 6971 1 293 . 1 1 33 33 THR HG21 H 1 1.29 0.04 . 1 . . . . 235 THR HG2 . 6971 1 294 . 1 1 33 33 THR HG22 H 1 1.29 0.04 . 1 . . . . 235 THR HG2 . 6971 1 295 . 1 1 33 33 THR HG23 H 1 1.29 0.04 . 1 . . . . 235 THR HG2 . 6971 1 296 . 1 1 33 33 THR C C 13 175.2 0.5 . 1 . . . . 235 THR C . 6971 1 297 . 1 1 33 33 THR CA C 13 59.2 0.5 . 1 . . . . 235 THR CA . 6971 1 298 . 1 1 33 33 THR CB C 13 72.6 0.5 . 1 . . . . 235 THR CB . 6971 1 299 . 1 1 33 33 THR CG2 C 13 21.6 0.5 . 1 . . . . 235 THR CG2 . 6971 1 300 . 1 1 33 33 THR N N 15 106.6 0.5 . 1 . . . . 235 THR N . 6971 1 301 . 1 1 34 34 ALA H H 1 9.24 0.04 . 1 . . . . 236 ALA H . 6971 1 302 . 1 1 34 34 ALA HA H 1 3.91 0.04 . 1 . . . . 236 ALA HA . 6971 1 303 . 1 1 34 34 ALA HB1 H 1 1.47 0.04 . 1 . . . . 236 ALA HB . 6971 1 304 . 1 1 34 34 ALA HB2 H 1 1.47 0.04 . 1 . . . . 236 ALA HB . 6971 1 305 . 1 1 34 34 ALA HB3 H 1 1.47 0.04 . 1 . . . . 236 ALA HB . 6971 1 306 . 1 1 34 34 ALA C C 13 180.6 0.5 . 1 . . . . 236 ALA C . 6971 1 307 . 1 1 34 34 ALA CA C 13 55.2 0.5 . 1 . . . . 236 ALA CA . 6971 1 308 . 1 1 34 34 ALA CB C 13 18.0 0.5 . 1 . . . . 236 ALA CB . 6971 1 309 . 1 1 34 34 ALA N N 15 127.5 0.5 . 1 . . . . 236 ALA N . 6971 1 310 . 1 1 35 35 GLU H H 1 9.32 0.04 . 1 . . . . 237 GLU H . 6971 1 311 . 1 1 35 35 GLU HA H 1 4.01 0.04 . 1 . . . . 237 GLU HA . 6971 1 312 . 1 1 35 35 GLU HB2 H 1 2.13 0.04 . 2 . . . . 237 GLU HB2 . 6971 1 313 . 1 1 35 35 GLU HB3 H 1 2.00 0.04 . 2 . . . . 237 GLU HB3 . 6971 1 314 . 1 1 35 35 GLU HG2 H 1 2.53 0.04 . 2 . . . . 237 GLU HG2 . 6971 1 315 . 1 1 35 35 GLU HG3 H 1 2.31 0.04 . 2 . . . . 237 GLU HG3 . 6971 1 316 . 1 1 35 35 GLU C C 13 179.2 0.5 . 1 . . . . 237 GLU C . 6971 1 317 . 1 1 35 35 GLU CA C 13 60.6 0.5 . 1 . . . . 237 GLU CA . 6971 1 318 . 1 1 35 35 GLU CB C 13 28.7 0.5 . 1 . . . . 237 GLU CB . 6971 1 319 . 1 1 35 35 GLU CG C 13 36.9 0.5 . 1 . . . . 237 GLU CG . 6971 1 320 . 1 1 35 35 GLU N N 15 119.4 0.5 . 1 . . . . 237 GLU N . 6971 1 321 . 1 1 36 36 GLU H H 1 7.74 0.04 . 1 . . . . 238 GLU H . 6971 1 322 . 1 1 36 36 GLU HA H 1 4.20 0.04 . 1 . . . . 238 GLU HA . 6971 1 323 . 1 1 36 36 GLU HG2 H 1 2.30 0.04 . 1 . . . . 238 GLU HG2 . 6971 1 324 . 1 1 36 36 GLU HG3 H 1 2.30 0.04 . 1 . . . . 238 GLU HG3 . 6971 1 325 . 1 1 36 36 GLU C C 13 179.0 0.5 . 1 . . . . 238 GLU C . 6971 1 326 . 1 1 36 36 GLU CA C 13 59.1 0.5 . 1 . . . . 238 GLU CA . 6971 1 327 . 1 1 36 36 GLU CB C 13 32.2 0.5 . 1 . . . . 238 GLU CB . 6971 1 328 . 1 1 36 36 GLU CG C 13 37.4 0.5 . 1 . . . . 238 GLU CG . 6971 1 329 . 1 1 36 36 GLU N N 15 120.5 0.5 . 1 . . . . 238 GLU N . 6971 1 330 . 1 1 37 37 ARG H H 1 8.15 0.04 . 1 . . . . 239 ARG H . 6971 1 331 . 1 1 37 37 ARG HA H 1 4.20 0.04 . 1 . . . . 239 ARG HA . 6971 1 332 . 1 1 37 37 ARG HD2 H 1 3.19 0.04 . 1 . . . . 239 ARG HD2 . 6971 1 333 . 1 1 37 37 ARG HD3 H 1 3.19 0.04 . 1 . . . . 239 ARG HD3 . 6971 1 334 . 1 1 37 37 ARG CA C 13 59.1 0.5 . 1 . . . . 239 ARG CA . 6971 1 335 . 1 1 37 37 ARG CB C 13 30.1 0.5 . 1 . . . . 239 ARG CB . 6971 1 336 . 1 1 37 37 ARG CD C 13 43.4 0.5 . 1 . . . . 239 ARG CD . 6971 1 337 . 1 1 37 37 ARG N N 15 119.1 0.5 . 1 . . . . 239 ARG N . 6971 1 338 . 1 1 38 38 LYS H H 1 8.15 0.04 . 1 . . . . 240 LYS H . 6971 1 339 . 1 1 38 38 LYS HA H 1 4.07 0.04 . 1 . . . . 240 LYS HA . 6971 1 340 . 1 1 38 38 LYS HG2 H 1 1.49 0.04 . 2 . . . . 240 LYS HG2 . 6971 1 341 . 1 1 38 38 LYS HG3 H 1 1.45 0.04 . 2 . . . . 240 LYS HG3 . 6971 1 342 . 1 1 38 38 LYS CA C 13 59.3 0.5 . 1 . . . . 240 LYS CA . 6971 1 343 . 1 1 38 38 LYS CB C 13 32.1 0.5 . 1 . . . . 240 LYS CB . 6971 1 344 . 1 1 38 38 LYS CG C 13 24.9 0.5 . 1 . . . . 240 LYS CG . 6971 1 345 . 1 1 38 38 LYS N N 15 121.2 0.5 . 1 . . . . 240 LYS N . 6971 1 346 . 1 1 39 39 GLU H H 1 8.12 0.04 . 1 . . . . 241 GLU H . 6971 1 347 . 1 1 39 39 GLU HA H 1 4.12 0.04 . 1 . . . . 241 GLU HA . 6971 1 348 . 1 1 39 39 GLU HB2 H 1 2.22 0.04 . 2 . . . . 241 GLU HB2 . 6971 1 349 . 1 1 39 39 GLU HB3 H 1 2.14 0.04 . 2 . . . . 241 GLU HB3 . 6971 1 350 . 1 1 39 39 GLU HG2 H 1 2.46 0.04 . 2 . . . . 241 GLU HG2 . 6971 1 351 . 1 1 39 39 GLU HG3 H 1 2.26 0.04 . 2 . . . . 241 GLU HG3 . 6971 1 352 . 1 1 39 39 GLU C C 13 180.1 0.5 . 1 . . . . 241 GLU C . 6971 1 353 . 1 1 39 39 GLU CA C 13 59.6 0.5 . 1 . . . . 241 GLU CA . 6971 1 354 . 1 1 39 39 GLU CB C 13 29.7 0.5 . 1 . . . . 241 GLU CB . 6971 1 355 . 1 1 39 39 GLU CG C 13 36.0 0.5 . 1 . . . . 241 GLU CG . 6971 1 356 . 1 1 39 39 GLU N N 15 120.8 0.5 . 1 . . . . 241 GLU N . 6971 1 357 . 1 1 40 40 LEU H H 1 8.70 0.04 . 1 . . . . 242 LEU H . 6971 1 358 . 1 1 40 40 LEU HA H 1 4.05 0.04 . 1 . . . . 242 LEU HA . 6971 1 359 . 1 1 40 40 LEU HB2 H 1 1.92 0.04 . 2 . . . . 242 LEU HB2 . 6971 1 360 . 1 1 40 40 LEU HB3 H 1 1.23 0.04 . 2 . . . . 242 LEU HB3 . 6971 1 361 . 1 1 40 40 LEU HG H 1 0.87 0.04 . 1 . . . . 242 LEU HG . 6971 1 362 . 1 1 40 40 LEU HD11 H 1 0.91 0.04 . 1 . . . . 242 LEU HD1 . 6971 1 363 . 1 1 40 40 LEU HD12 H 1 0.91 0.04 . 1 . . . . 242 LEU HD1 . 6971 1 364 . 1 1 40 40 LEU HD13 H 1 0.91 0.04 . 1 . . . . 242 LEU HD1 . 6971 1 365 . 1 1 40 40 LEU HD21 H 1 0.91 0.04 . 1 . . . . 242 LEU HD2 . 6971 1 366 . 1 1 40 40 LEU HD22 H 1 0.91 0.04 . 1 . . . . 242 LEU HD2 . 6971 1 367 . 1 1 40 40 LEU HD23 H 1 0.91 0.04 . 1 . . . . 242 LEU HD2 . 6971 1 368 . 1 1 40 40 LEU C C 13 179.0 0.5 . 1 . . . . 242 LEU C . 6971 1 369 . 1 1 40 40 LEU CA C 13 58.0 0.5 . 1 . . . . 242 LEU CA . 6971 1 370 . 1 1 40 40 LEU CB C 13 42.8 0.5 . 1 . . . . 242 LEU CB . 6971 1 371 . 1 1 40 40 LEU CG C 13 26.2 0.5 . 1 . . . . 242 LEU CG . 6971 1 372 . 1 1 40 40 LEU CD1 C 13 23.1 0.5 . 1 . . . . 242 LEU CD1 . 6971 1 373 . 1 1 40 40 LEU N N 15 118.8 0.5 . 1 . . . . 242 LEU N . 6971 1 374 . 1 1 41 41 SER H H 1 8.08 0.04 . 1 . . . . 243 SER H . 6971 1 375 . 1 1 41 41 SER HA H 1 3.94 0.04 . 1 . . . . 243 SER HA . 6971 1 376 . 1 1 41 41 SER HB2 H 1 4.05 0.04 . 2 . . . . 243 SER HB2 . 6971 1 377 . 1 1 41 41 SER HB3 H 1 3.94 0.04 . 2 . . . . 243 SER HB3 . 6971 1 378 . 1 1 41 41 SER C C 13 179.4 0.5 . 1 . . . . 243 SER C . 6971 1 379 . 1 1 41 41 SER CB C 13 62.7 0.5 . 1 . . . . 243 SER CB . 6971 1 380 . 1 1 41 41 SER N N 15 115.2 0.5 . 1 . . . . 243 SER N . 6971 1 381 . 1 1 42 42 ASP H H 1 8.18 0.04 . 1 . . . . 244 ASP H . 6971 1 382 . 1 1 42 42 ASP HA H 1 4.41 0.04 . 1 . . . . 244 ASP HA . 6971 1 383 . 1 1 42 42 ASP HB2 H 1 2.87 0.04 . 2 . . . . 244 ASP HB2 . 6971 1 384 . 1 1 42 42 ASP HB3 H 1 2.66 0.04 . 2 . . . . 244 ASP HB3 . 6971 1 385 . 1 1 42 42 ASP C C 13 179.2 0.5 . 1 . . . . 244 ASP C . 6971 1 386 . 1 1 42 42 ASP CA C 13 57.5 0.5 . 1 . . . . 244 ASP CA . 6971 1 387 . 1 1 42 42 ASP CB C 13 40.3 0.5 . 1 . . . . 244 ASP CB . 6971 1 388 . 1 1 42 42 ASP N N 15 120.9 0.5 . 1 . . . . 244 ASP N . 6971 1 389 . 1 1 43 43 LYS H H 1 7.96 0.04 . 1 . . . . 245 LYS H . 6971 1 390 . 1 1 43 43 LYS HA H 1 4.09 0.04 . 1 . . . . 245 LYS HA . 6971 1 391 . 1 1 43 43 LYS HB2 H 1 2.06 0.04 . 2 . . . . 245 LYS HB2 . 6971 1 392 . 1 1 43 43 LYS HB3 H 1 1.83 0.04 . 2 . . . . 245 LYS HB3 . 6971 1 393 . 1 1 43 43 LYS HG2 H 1 1.76 0.04 . 2 . . . . 245 LYS HG2 . 6971 1 394 . 1 1 43 43 LYS HG3 H 1 1.58 0.04 . 2 . . . . 245 LYS HG3 . 6971 1 395 . 1 1 43 43 LYS HE2 H 1 3.02 0.04 . 1 . . . . 245 LYS HE2 . 6971 1 396 . 1 1 43 43 LYS HE3 H 1 3.02 0.04 . 1 . . . . 245 LYS HE3 . 6971 1 397 . 1 1 43 43 LYS C C 13 178.0 0.5 . 1 . . . . 245 LYS C . 6971 1 398 . 1 1 43 43 LYS CA C 13 59.0 0.5 . 1 . . . . 245 LYS CA . 6971 1 399 . 1 1 43 43 LYS CB C 13 33.1 0.5 . 1 . . . . 245 LYS CB . 6971 1 400 . 1 1 43 43 LYS CG C 13 25.2 0.5 . 1 . . . . 245 LYS CG . 6971 1 401 . 1 1 43 43 LYS N N 15 119.1 0.5 . 1 . . . . 245 LYS N . 6971 1 402 . 1 1 44 44 LEU H H 1 7.85 0.04 . 1 . . . . 246 LEU H . 6971 1 403 . 1 1 44 44 LEU HA H 1 4.49 0.04 . 1 . . . . 246 LEU HA . 6971 1 404 . 1 1 44 44 LEU HB2 H 1 1.67 0.04 . 2 . . . . 246 LEU HB2 . 6971 1 405 . 1 1 44 44 LEU HB3 H 1 1.43 0.04 . 2 . . . . 246 LEU HB3 . 6971 1 406 . 1 1 44 44 LEU HG H 1 2.00 0.04 . 1 . . . . 246 LEU HG . 6971 1 407 . 1 1 44 44 LEU HD11 H 1 0.72 0.04 . 2 . . . . 246 LEU HD1 . 6971 1 408 . 1 1 44 44 LEU HD12 H 1 0.72 0.04 . 2 . . . . 246 LEU HD1 . 6971 1 409 . 1 1 44 44 LEU HD13 H 1 0.72 0.04 . 2 . . . . 246 LEU HD1 . 6971 1 410 . 1 1 44 44 LEU HD21 H 1 0.58 0.04 . 2 . . . . 246 LEU HD2 . 6971 1 411 . 1 1 44 44 LEU HD22 H 1 0.58 0.04 . 2 . . . . 246 LEU HD2 . 6971 1 412 . 1 1 44 44 LEU HD23 H 1 0.58 0.04 . 2 . . . . 246 LEU HD2 . 6971 1 413 . 1 1 44 44 LEU C C 13 177.5 0.5 . 1 . . . . 246 LEU C . 6971 1 414 . 1 1 44 44 LEU CA C 13 54.3 0.5 . 1 . . . . 246 LEU CA . 6971 1 415 . 1 1 44 44 LEU CB C 13 40.8 0.5 . 1 . . . . 246 LEU CB . 6971 1 416 . 1 1 44 44 LEU CG C 13 27.2 0.5 . 1 . . . . 246 LEU CG . 6971 1 417 . 1 1 44 44 LEU CD1 C 13 24.7 0.5 . 2 . . . . 246 LEU CD1 . 6971 1 418 . 1 1 44 44 LEU CD2 C 13 22.2 0.5 . 2 . . . . 246 LEU CD2 . 6971 1 419 . 1 1 44 44 LEU N N 15 113.6 0.5 . 1 . . . . 246 LEU N . 6971 1 420 . 1 1 45 45 LYS H H 1 7.70 0.04 . 1 . . . . 247 LYS H . 6971 1 421 . 1 1 45 45 LYS HA H 1 4.52 0.04 . 1 . . . . 247 LYS HA . 6971 1 422 . 1 1 45 45 LYS HB2 H 1 2.25 0.04 . 2 . . . . 247 LYS HB2 . 6971 1 423 . 1 1 45 45 LYS HB3 H 1 1.95 0.04 . 2 . . . . 247 LYS HB3 . 6971 1 424 . 1 1 45 45 LYS HE2 H 1 2.96 0.04 . 1 . . . . 247 LYS HE2 . 6971 1 425 . 1 1 45 45 LYS HE3 H 1 2.96 0.04 . 1 . . . . 247 LYS HE3 . 6971 1 426 . 1 1 45 45 LYS C C 13 173.9 0.5 . 1 . . . . 247 LYS C . 6971 1 427 . 1 1 45 45 LYS CA C 13 61.6 0.5 . 1 . . . . 247 LYS CA . 6971 1 428 . 1 1 45 45 LYS CB C 13 30.3 0.5 . 1 . . . . 247 LYS CB . 6971 1 429 . 1 1 45 45 LYS N N 15 125.4 0.5 . 1 . . . . 247 LYS N . 6971 1 430 . 1 1 46 46 PRO HA H 1 4.52 0.04 . 1 . . . . 248 PRO HA . 6971 1 431 . 1 1 46 46 PRO HB2 H 1 2.52 0.04 . 2 . . . . 248 PRO HB2 . 6971 1 432 . 1 1 46 46 PRO HB3 H 1 1.82 0.04 . 2 . . . . 248 PRO HB3 . 6971 1 433 . 1 1 46 46 PRO HG2 H 1 2.25 0.04 . 2 . . . . 248 PRO HG2 . 6971 1 434 . 1 1 46 46 PRO HG3 H 1 1.95 0.04 . 2 . . . . 248 PRO HG3 . 6971 1 435 . 1 1 46 46 PRO HD2 H 1 3.73 0.04 . 2 . . . . 248 PRO HD2 . 6971 1 436 . 1 1 46 46 PRO HD3 H 1 3.52 0.04 . 2 . . . . 248 PRO HD3 . 6971 1 437 . 1 1 46 46 PRO C C 13 180.5 0.5 . 1 . . . . 248 PRO C . 6971 1 438 . 1 1 46 46 PRO CA C 13 65.8 0.5 . 1 . . . . 248 PRO CA . 6971 1 439 . 1 1 46 46 PRO CB C 13 31.4 0.5 . 1 . . . . 248 PRO CB . 6971 1 440 . 1 1 46 46 PRO CG C 13 30.3 0.5 . 1 . . . . 248 PRO CG . 6971 1 441 . 1 1 46 46 PRO CD C 13 50.6 0.5 . 1 . . . . 248 PRO CD . 6971 1 442 . 1 1 47 47 ILE H H 1 7.53 0.04 . 1 . . . . 249 ILE H . 6971 1 443 . 1 1 47 47 ILE HA H 1 3.80 0.04 . 1 . . . . 249 ILE HA . 6971 1 444 . 1 1 47 47 ILE HB H 1 1.69 0.04 . 1 . . . . 249 ILE HB . 6971 1 445 . 1 1 47 47 ILE HG12 H 1 1.63 0.04 . 2 . . . . 249 ILE HG12 . 6971 1 446 . 1 1 47 47 ILE HG13 H 1 0.68 0.04 . 2 . . . . 249 ILE HG13 . 6971 1 447 . 1 1 47 47 ILE HG21 H 1 0.94 0.04 . 1 . . . . 249 ILE HG2 . 6971 1 448 . 1 1 47 47 ILE HG22 H 1 0.94 0.04 . 1 . . . . 249 ILE HG2 . 6971 1 449 . 1 1 47 47 ILE HG23 H 1 0.94 0.04 . 1 . . . . 249 ILE HG2 . 6971 1 450 . 1 1 47 47 ILE HD11 H 1 0.59 0.04 . 1 . . . . 249 ILE HD1 . 6971 1 451 . 1 1 47 47 ILE HD12 H 1 0.59 0.04 . 1 . . . . 249 ILE HD1 . 6971 1 452 . 1 1 47 47 ILE HD13 H 1 0.59 0.04 . 1 . . . . 249 ILE HD1 . 6971 1 453 . 1 1 47 47 ILE C C 13 176.7 0.5 . 1 . . . . 249 ILE C . 6971 1 454 . 1 1 47 47 ILE CA C 13 63.9 0.5 . 1 . . . . 249 ILE CA . 6971 1 455 . 1 1 47 47 ILE CB C 13 38.2 0.5 . 1 . . . . 249 ILE CB . 6971 1 456 . 1 1 47 47 ILE CG1 C 13 29.2 0.5 . 1 . . . . 249 ILE CG1 . 6971 1 457 . 1 1 47 47 ILE CG2 C 13 18.3 0.5 . 1 . . . . 249 ILE CG2 . 6971 1 458 . 1 1 47 47 ILE CD1 C 13 15.0 0.5 . 1 . . . . 249 ILE CD1 . 6971 1 459 . 1 1 47 47 ILE N N 15 118.0 0.5 . 1 . . . . 249 ILE N . 6971 1 460 . 1 1 48 48 ALA H H 1 6.87 0.04 . 1 . . . . 250 ALA H . 6971 1 461 . 1 1 48 48 ALA HA H 1 3.44 0.04 . 1 . . . . 250 ALA HA . 6971 1 462 . 1 1 48 48 ALA C C 13 180.7 0.5 . 1 . . . . 250 ALA C . 6971 1 463 . 1 1 48 48 ALA CA C 13 54.9 0.5 . 1 . . . . 250 ALA CA . 6971 1 464 . 1 1 48 48 ALA CB C 13 17.5 0.5 . 1 . . . . 250 ALA CB . 6971 1 465 . 1 1 48 48 ALA N N 15 122.1 0.5 . 1 . . . . 250 ALA N . 6971 1 466 . 1 1 49 49 GLU H H 1 8.51 0.04 . 1 . . . . 251 GLU H . 6971 1 467 . 1 1 49 49 GLU HA H 1 3.85 0.04 . 1 . . . . 251 GLU HA . 6971 1 468 . 1 1 49 49 GLU HB2 H 1 2.06 0.04 . 2 . . . . 251 GLU HB2 . 6971 1 469 . 1 1 49 49 GLU HB3 H 1 2.01 0.04 . 2 . . . . 251 GLU HB3 . 6971 1 470 . 1 1 49 49 GLU HG2 H 1 2.28 0.04 . 2 . . . . 251 GLU HG2 . 6971 1 471 . 1 1 49 49 GLU HG3 H 1 2.18 0.04 . 2 . . . . 251 GLU HG3 . 6971 1 472 . 1 1 49 49 GLU C C 13 178.9 0.5 . 1 . . . . 251 GLU C . 6971 1 473 . 1 1 49 49 GLU CA C 13 59.5 0.5 . 1 . . . . 251 GLU CA . 6971 1 474 . 1 1 49 49 GLU CB C 13 29.9 0.5 . 1 . . . . 251 GLU CB . 6971 1 475 . 1 1 49 49 GLU CG C 13 36.6 0.5 . 1 . . . . 251 GLU CG . 6971 1 476 . 1 1 49 49 GLU N N 15 118.0 0.5 . 1 . . . . 251 GLU N . 6971 1 477 . 1 1 50 50 ALA H H 1 7.46 0.04 . 1 . . . . 252 ALA H . 6971 1 478 . 1 1 50 50 ALA HA H 1 4.24 0.04 . 1 . . . . 252 ALA HA . 6971 1 479 . 1 1 50 50 ALA HB1 H 1 1.64 0.04 . 1 . . . . 252 ALA HB . 6971 1 480 . 1 1 50 50 ALA HB2 H 1 1.64 0.04 . 1 . . . . 252 ALA HB . 6971 1 481 . 1 1 50 50 ALA HB3 H 1 1.64 0.04 . 1 . . . . 252 ALA HB . 6971 1 482 . 1 1 50 50 ALA C C 13 179.1 0.5 . 1 . . . . 252 ALA C . 6971 1 483 . 1 1 50 50 ALA CA C 13 54.8 0.5 . 1 . . . . 252 ALA CA . 6971 1 484 . 1 1 50 50 ALA CB C 13 18.6 0.5 . 1 . . . . 252 ALA CB . 6971 1 485 . 1 1 50 50 ALA N N 15 122.2 0.5 . 1 . . . . 252 ALA N . 6971 1 486 . 1 1 51 51 GLN H H 1 7.61 0.04 . 1 . . . . 253 GLN H . 6971 1 487 . 1 1 51 51 GLN HA H 1 4.83 0.04 . 1 . . . . 253 GLN HA . 6971 1 488 . 1 1 51 51 GLN HB2 H 1 2.82 0.04 . 2 . . . . 253 GLN HB2 . 6971 1 489 . 1 1 51 51 GLN HB3 H 1 1.81 0.04 . 2 . . . . 253 GLN HB3 . 6971 1 490 . 1 1 51 51 GLN HG2 H 1 2.74 0.04 . 2 . . . . 253 GLN HG2 . 6971 1 491 . 1 1 51 51 GLN HG3 H 1 2.19 0.04 . 2 . . . . 253 GLN HG3 . 6971 1 492 . 1 1 51 51 GLN HE21 H 1 7.15 0.04 . 2 . . . . 253 GLN HE21 . 6971 1 493 . 1 1 51 51 GLN HE22 H 1 6.30 0.04 . 2 . . . . 253 GLN HE22 . 6971 1 494 . 1 1 51 51 GLN C C 13 175.7 0.5 . 1 . . . . 253 GLN C . 6971 1 495 . 1 1 51 51 GLN CA C 13 52.8 0.5 . 1 . . . . 253 GLN CA . 6971 1 496 . 1 1 51 51 GLN CB C 13 27.5 0.5 . 1 . . . . 253 GLN CB . 6971 1 497 . 1 1 51 51 GLN CG C 13 31.4 0.5 . 1 . . . . 253 GLN CG . 6971 1 498 . 1 1 51 51 GLN N N 15 112.8 0.5 . 1 . . . . 253 GLN N . 6971 1 499 . 1 1 51 51 GLN NE2 N 15 107.9 0.5 . 1 . . . . 253 GLN NE2 . 6971 1 500 . 1 1 52 52 ARG H H 1 7.17 0.04 . 1 . . . . 254 ARG H . 6971 1 501 . 1 1 52 52 ARG HA H 1 4.34 0.04 . 1 . . . . 254 ARG HA . 6971 1 502 . 1 1 52 52 ARG HB2 H 1 1.99 0.04 . 2 . . . . 254 ARG HB2 . 6971 1 503 . 1 1 52 52 ARG HB3 H 1 1.89 0.04 . 2 . . . . 254 ARG HB3 . 6971 1 504 . 1 1 52 52 ARG HG2 H 1 1.89 0.04 . 2 . . . . 254 ARG HG2 . 6971 1 505 . 1 1 52 52 ARG HG3 H 1 1.71 0.04 . 2 . . . . 254 ARG HG3 . 6971 1 506 . 1 1 52 52 ARG HD2 H 1 3.30 0.04 . 1 . . . . 254 ARG HD2 . 6971 1 507 . 1 1 52 52 ARG HD3 H 1 3.30 0.04 . 1 . . . . 254 ARG HD3 . 6971 1 508 . 1 1 52 52 ARG C C 13 178.1 0.5 . 1 . . . . 254 ARG C . 6971 1 509 . 1 1 52 52 ARG CA C 13 58.7 0.5 . 1 . . . . 254 ARG CA . 6971 1 510 . 1 1 52 52 ARG CB C 13 30.3 0.5 . 1 . . . . 254 ARG CB . 6971 1 511 . 1 1 52 52 ARG CG C 13 27.2 0.5 . 1 . . . . 254 ARG CG . 6971 1 512 . 1 1 52 52 ARG CD C 13 43.9 0.5 . 1 . . . . 254 ARG CD . 6971 1 513 . 1 1 52 52 ARG N N 15 124.9 0.5 . 1 . . . . 254 ARG N . 6971 1 514 . 1 1 53 53 GLY H H 1 9.38 0.04 . 1 . . . . 255 GLY H . 6971 1 515 . 1 1 53 53 GLY HA2 H 1 3.65 0.04 . 2 . . . . 255 GLY HA2 . 6971 1 516 . 1 1 53 53 GLY HA3 H 1 4.27 0.04 . 2 . . . . 255 GLY HA3 . 6971 1 517 . 1 1 53 53 GLY C C 13 172.6 0.5 . 1 . . . . 255 GLY C . 6971 1 518 . 1 1 53 53 GLY CA C 13 45.5 0.5 . 1 . . . . 255 GLY CA . 6971 1 519 . 1 1 53 53 GLY N N 15 116.1 0.5 . 1 . . . . 255 GLY N . 6971 1 520 . 1 1 54 54 VAL H H 1 8.51 0.04 . 1 . . . . 256 VAL H . 6971 1 521 . 1 1 54 54 VAL HA H 1 4.10 0.04 . 1 . . . . 256 VAL HA . 6971 1 522 . 1 1 54 54 VAL HB H 1 2.28 0.04 . 1 . . . . 256 VAL HB . 6971 1 523 . 1 1 54 54 VAL HG11 H 1 1.11 0.04 . 2 . . . . 256 VAL HG1 . 6971 1 524 . 1 1 54 54 VAL HG12 H 1 1.11 0.04 . 2 . . . . 256 VAL HG1 . 6971 1 525 . 1 1 54 54 VAL HG13 H 1 1.11 0.04 . 2 . . . . 256 VAL HG1 . 6971 1 526 . 1 1 54 54 VAL HG21 H 1 0.89 0.04 . 2 . . . . 256 VAL HG2 . 6971 1 527 . 1 1 54 54 VAL HG22 H 1 0.89 0.04 . 2 . . . . 256 VAL HG2 . 6971 1 528 . 1 1 54 54 VAL HG23 H 1 0.89 0.04 . 2 . . . . 256 VAL HG2 . 6971 1 529 . 1 1 54 54 VAL C C 13 175.4 0.5 . 1 . . . . 256 VAL C . 6971 1 530 . 1 1 54 54 VAL CA C 13 64.4 0.5 . 1 . . . . 256 VAL CA . 6971 1 531 . 1 1 54 54 VAL CB C 13 33.7 0.5 . 1 . . . . 256 VAL CB . 6971 1 532 . 1 1 54 54 VAL CG1 C 13 21.6 0.5 . 2 . . . . 256 VAL CG1 . 6971 1 533 . 1 1 54 54 VAL CG2 C 13 21.2 0.5 . 2 . . . . 256 VAL CG2 . 6971 1 534 . 1 1 54 54 VAL N N 15 122.3 0.5 . 1 . . . . 256 VAL N . 6971 1 535 . 1 1 55 55 ILE H H 1 8.10 0.04 . 1 . . . . 257 ILE H . 6971 1 536 . 1 1 55 55 ILE HA H 1 4.27 0.04 . 1 . . . . 257 ILE HA . 6971 1 537 . 1 1 55 55 ILE HB H 1 1.57 0.04 . 1 . . . . 257 ILE HB . 6971 1 538 . 1 1 55 55 ILE HG12 H 1 1.71 0.04 . 2 . . . . 257 ILE HG12 . 6971 1 539 . 1 1 55 55 ILE HG13 H 1 0.95 0.04 . 2 . . . . 257 ILE HG13 . 6971 1 540 . 1 1 55 55 ILE HG21 H 1 0.33 0.04 . 1 . . . . 257 ILE HG2 . 6971 1 541 . 1 1 55 55 ILE HG22 H 1 0.33 0.04 . 1 . . . . 257 ILE HG2 . 6971 1 542 . 1 1 55 55 ILE HG23 H 1 0.33 0.04 . 1 . . . . 257 ILE HG2 . 6971 1 543 . 1 1 55 55 ILE HD11 H 1 0.83 0.04 . 1 . . . . 257 ILE HD1 . 6971 1 544 . 1 1 55 55 ILE HD12 H 1 0.83 0.04 . 1 . . . . 257 ILE HD1 . 6971 1 545 . 1 1 55 55 ILE HD13 H 1 0.83 0.04 . 1 . . . . 257 ILE HD1 . 6971 1 546 . 1 1 55 55 ILE C C 13 175.6 0.5 . 1 . . . . 257 ILE C . 6971 1 547 . 1 1 55 55 ILE CA C 13 60.2 0.5 . 1 . . . . 257 ILE CA . 6971 1 548 . 1 1 55 55 ILE CB C 13 43.8 0.5 . 1 . . . . 257 ILE CB . 6971 1 549 . 1 1 55 55 ILE CG1 C 13 27.7 0.5 . 1 . . . . 257 ILE CG1 . 6971 1 550 . 1 1 55 55 ILE CG2 C 13 17.8 0.5 . 1 . . . . 257 ILE CG2 . 6971 1 551 . 1 1 55 55 ILE CD1 C 13 15.4 0.5 . 1 . . . . 257 ILE CD1 . 6971 1 552 . 1 1 55 55 ILE N N 15 116.6 0.5 . 1 . . . . 257 ILE N . 6971 1 553 . 1 1 56 56 ASN H H 1 8.88 0.04 . 1 . . . . 258 ASN H . 6971 1 554 . 1 1 56 56 ASN HA H 1 5.30 0.04 . 1 . . . . 258 ASN HA . 6971 1 555 . 1 1 56 56 ASN HB2 H 1 2.81 0.04 . 2 . . . . 258 ASN HB2 . 6971 1 556 . 1 1 56 56 ASN HB3 H 1 2.39 0.04 . 2 . . . . 258 ASN HB3 . 6971 1 557 . 1 1 56 56 ASN HD21 H 1 8.84 0.04 . 2 . . . . 258 ASN HD21 . 6971 1 558 . 1 1 56 56 ASN HD22 H 1 7.01 0.04 . 2 . . . . 258 ASN HD22 . 6971 1 559 . 1 1 56 56 ASN C C 13 173.8 0.5 . 1 . . . . 258 ASN C . 6971 1 560 . 1 1 56 56 ASN CA C 13 52.0 0.5 . 1 . . . . 258 ASN CA . 6971 1 561 . 1 1 56 56 ASN CB C 13 40.5 0.5 . 1 . . . . 258 ASN CB . 6971 1 562 . 1 1 56 56 ASN N N 15 125.7 0.5 . 1 . . . . 258 ASN N . 6971 1 563 . 1 1 56 56 ASN ND2 N 15 115.9 0.5 . 1 . . . . 258 ASN ND2 . 6971 1 564 . 1 1 57 57 PHE H H 1 9.92 0.04 . 1 . . . . 259 PHE H . 6971 1 565 . 1 1 57 57 PHE HA H 1 5.25 0.04 . 1 . . . . 259 PHE HA . 6971 1 566 . 1 1 57 57 PHE HB2 H 1 3.40 0.04 . 2 . . . . 259 PHE HB2 . 6971 1 567 . 1 1 57 57 PHE HB3 H 1 2.58 0.04 . 2 . . . . 259 PHE HB3 . 6971 1 568 . 1 1 57 57 PHE HD1 H 1 7.29 0.04 . 1 . . . . 259 PHE HD1 . 6971 1 569 . 1 1 57 57 PHE HD2 H 1 7.29 0.04 . 1 . . . . 259 PHE HD2 . 6971 1 570 . 1 1 57 57 PHE C C 13 175.4 0.5 . 1 . . . . 259 PHE C . 6971 1 571 . 1 1 57 57 PHE CA C 13 56.1 0.5 . 1 . . . . 259 PHE CA . 6971 1 572 . 1 1 57 57 PHE CB C 13 43.5 0.5 . 1 . . . . 259 PHE CB . 6971 1 573 . 1 1 57 57 PHE N N 15 122.5 0.5 . 1 . . . . 259 PHE N . 6971 1 574 . 1 1 58 58 GLY H H 1 8.60 0.04 . 1 . . . . 260 GLY H . 6971 1 575 . 1 1 58 58 GLY HA2 H 1 3.11 0.04 . 2 . . . . 260 GLY HA2 . 6971 1 576 . 1 1 58 58 GLY HA3 H 1 4.85 0.04 . 2 . . . . 260 GLY HA3 . 6971 1 577 . 1 1 58 58 GLY C C 13 172.0 0.5 . 1 . . . . 260 GLY C . 6971 1 578 . 1 1 58 58 GLY CA C 13 45.0 0.5 . 1 . . . . 260 GLY CA . 6971 1 579 . 1 1 58 58 GLY N N 15 107.4 0.5 . 1 . . . . 260 GLY N . 6971 1 580 . 1 1 59 59 THR H H 1 8.88 0.04 . 1 . . . . 261 THR H . 6971 1 581 . 1 1 59 59 THR HA H 1 5.23 0.04 . 1 . . . . 261 THR HA . 6971 1 582 . 1 1 59 59 THR HB H 1 4.10 0.04 . 1 . . . . 261 THR HB . 6971 1 583 . 1 1 59 59 THR HG21 H 1 1.23 0.04 . 1 . . . . 261 THR HG2 . 6971 1 584 . 1 1 59 59 THR HG22 H 1 1.23 0.04 . 1 . . . . 261 THR HG2 . 6971 1 585 . 1 1 59 59 THR HG23 H 1 1.23 0.04 . 1 . . . . 261 THR HG2 . 6971 1 586 . 1 1 59 59 THR C C 13 172.7 0.5 . 1 . . . . 261 THR C . 6971 1 587 . 1 1 59 59 THR CA C 13 59.4 0.5 . 1 . . . . 261 THR CA . 6971 1 588 . 1 1 59 59 THR CB C 13 71.2 0.5 . 1 . . . . 261 THR CB . 6971 1 589 . 1 1 59 59 THR CG2 C 13 22.0 0.5 . 1 . . . . 261 THR CG2 . 6971 1 590 . 1 1 59 59 THR N N 15 110.6 0.5 . 1 . . . . 261 THR N . 6971 1 591 . 1 1 60 60 ILE H H 1 8.53 0.04 . 1 . . . . 262 ILE H . 6971 1 592 . 1 1 60 60 ILE HA H 1 4.77 0.04 . 1 . . . . 262 ILE HA . 6971 1 593 . 1 1 60 60 ILE HB H 1 1.38 0.04 . 1 . . . . 262 ILE HB . 6971 1 594 . 1 1 60 60 ILE HG12 H 1 1.66 0.04 . 2 . . . . 262 ILE HG12 . 6971 1 595 . 1 1 60 60 ILE HG13 H 1 0.62 0.04 . 2 . . . . 262 ILE HG13 . 6971 1 596 . 1 1 60 60 ILE HG21 H 1 -0.23 0.04 . 1 . . . . 262 ILE HG2 . 6971 1 597 . 1 1 60 60 ILE HG22 H 1 -0.23 0.04 . 1 . . . . 262 ILE HG2 . 6971 1 598 . 1 1 60 60 ILE HG23 H 1 -0.23 0.04 . 1 . . . . 262 ILE HG2 . 6971 1 599 . 1 1 60 60 ILE HD11 H 1 0.55 0.04 . 1 . . . . 262 ILE HD1 . 6971 1 600 . 1 1 60 60 ILE HD12 H 1 0.55 0.04 . 1 . . . . 262 ILE HD1 . 6971 1 601 . 1 1 60 60 ILE HD13 H 1 0.55 0.04 . 1 . . . . 262 ILE HD1 . 6971 1 602 . 1 1 60 60 ILE C C 13 173.1 0.5 . 1 . . . . 262 ILE C . 6971 1 603 . 1 1 60 60 ILE CA C 13 58.8 0.5 . 1 . . . . 262 ILE CA . 6971 1 604 . 1 1 60 60 ILE CB C 13 41.0 0.5 . 1 . . . . 262 ILE CB . 6971 1 605 . 1 1 60 60 ILE CG1 C 13 28.5 0.5 . 1 . . . . 262 ILE CG1 . 6971 1 606 . 1 1 60 60 ILE CG2 C 13 13.8 0.5 . 1 . . . . 262 ILE CG2 . 6971 1 607 . 1 1 60 60 ILE CD1 C 13 14.4 0.5 . 1 . . . . 262 ILE CD1 . 6971 1 608 . 1 1 60 60 ILE N N 15 119.4 0.5 . 1 . . . . 262 ILE N . 6971 1 609 . 1 1 61 61 ASP H H 1 8.78 0.04 . 1 . . . . 263 ASP H . 6971 1 610 . 1 1 61 61 ASP HA H 1 4.50 0.04 . 1 . . . . 263 ASP HA . 6971 1 611 . 1 1 61 61 ASP HB2 H 1 3.03 0.04 . 2 . . . . 263 ASP HB2 . 6971 1 612 . 1 1 61 61 ASP HB3 H 1 2.51 0.04 . 2 . . . . 263 ASP HB3 . 6971 1 613 . 1 1 61 61 ASP C C 13 175.7 0.5 . 1 . . . . 263 ASP C . 6971 1 614 . 1 1 61 61 ASP CA C 13 54.0 0.5 . 1 . . . . 263 ASP CA . 6971 1 615 . 1 1 61 61 ASP CB C 13 40.8 0.5 . 1 . . . . 263 ASP CB . 6971 1 616 . 1 1 61 61 ASP N N 15 126.3 0.5 . 1 . . . . 263 ASP N . 6971 1 617 . 1 1 62 62 ALA H H 1 7.70 0.04 . 1 . . . . 264 ALA H . 6971 1 618 . 1 1 62 62 ALA HA H 1 3.60 0.04 . 1 . . . . 264 ALA HA . 6971 1 619 . 1 1 62 62 ALA HB1 H 1 0.22 0.04 . 1 . . . . 264 ALA HB . 6971 1 620 . 1 1 62 62 ALA HB2 H 1 0.22 0.04 . 1 . . . . 264 ALA HB . 6971 1 621 . 1 1 62 62 ALA HB3 H 1 0.22 0.04 . 1 . . . . 264 ALA HB . 6971 1 622 . 1 1 62 62 ALA C C 13 177.3 0.5 . 1 . . . . 264 ALA C . 6971 1 623 . 1 1 62 62 ALA CA C 13 52.6 0.5 . 1 . . . . 264 ALA CA . 6971 1 624 . 1 1 62 62 ALA CB C 13 17.9 0.5 . 1 . . . . 264 ALA CB . 6971 1 625 . 1 1 62 62 ALA N N 15 129.8 0.5 . 1 . . . . 264 ALA N . 6971 1 626 . 1 1 63 63 LYS H H 1 8.44 0.04 . 1 . . . . 265 LYS H . 6971 1 627 . 1 1 63 63 LYS HA H 1 4.22 0.04 . 1 . . . . 265 LYS HA . 6971 1 628 . 1 1 63 63 LYS HB2 H 1 2.01 0.04 . 1 . . . . 265 LYS HB2 . 6971 1 629 . 1 1 63 63 LYS HB3 H 1 2.01 0.04 . 1 . . . . 265 LYS HB3 . 6971 1 630 . 1 1 63 63 LYS HG2 H 1 1.59 0.04 . 2 . . . . 265 LYS HG2 . 6971 1 631 . 1 1 63 63 LYS HG3 H 1 1.43 0.04 . 2 . . . . 265 LYS HG3 . 6971 1 632 . 1 1 63 63 LYS HE2 H 1 3.01 0.04 . 1 . . . . 265 LYS HE2 . 6971 1 633 . 1 1 63 63 LYS HE3 H 1 3.01 0.04 . 1 . . . . 265 LYS HE3 . 6971 1 634 . 1 1 63 63 LYS C C 13 177.8 0.5 . 1 . . . . 265 LYS C . 6971 1 635 . 1 1 63 63 LYS CA C 13 58.4 0.5 . 1 . . . . 265 LYS CA . 6971 1 636 . 1 1 63 63 LYS CB C 13 31.9 0.5 . 1 . . . . 265 LYS CB . 6971 1 637 . 1 1 63 63 LYS CG C 13 24.9 0.5 . 1 . . . . 265 LYS CG . 6971 1 638 . 1 1 63 63 LYS N N 15 119.2 0.5 . 1 . . . . 265 LYS N . 6971 1 639 . 1 1 64 64 ALA H H 1 7.01 0.04 . 1 . . . . 266 ALA H . 6971 1 640 . 1 1 64 64 ALA HA H 1 3.98 0.04 . 1 . . . . 266 ALA HA . 6971 1 641 . 1 1 64 64 ALA HB1 H 1 0.54 0.04 . 1 . . . . 266 ALA HB . 6971 1 642 . 1 1 64 64 ALA HB2 H 1 0.54 0.04 . 1 . . . . 266 ALA HB . 6971 1 643 . 1 1 64 64 ALA HB3 H 1 0.54 0.04 . 1 . . . . 266 ALA HB . 6971 1 644 . 1 1 64 64 ALA C C 13 179.6 0.5 . 1 . . . . 266 ALA C . 6971 1 645 . 1 1 64 64 ALA CA C 13 53.6 0.5 . 1 . . . . 266 ALA CA . 6971 1 646 . 1 1 64 64 ALA CB C 13 18.6 0.5 . 1 . . . . 266 ALA CB . 6971 1 647 . 1 1 64 64 ALA N N 15 121.1 0.5 . 1 . . . . 266 ALA N . 6971 1 648 . 1 1 65 65 PHE H H 1 8.10 0.04 . 1 . . . . 267 PHE H . 6971 1 649 . 1 1 65 65 PHE HA H 1 5.26 0.04 . 1 . . . . 267 PHE HA . 6971 1 650 . 1 1 65 65 PHE HB2 H 1 3.58 0.04 . 2 . . . . 267 PHE HB2 . 6971 1 651 . 1 1 65 65 PHE HB3 H 1 2.75 0.04 . 2 . . . . 267 PHE HB3 . 6971 1 652 . 1 1 65 65 PHE HD1 H 1 7.35 0.04 . 1 . . . . 267 PHE HD1 . 6971 1 653 . 1 1 65 65 PHE HD2 H 1 7.35 0.04 . 1 . . . . 267 PHE HD2 . 6971 1 654 . 1 1 65 65 PHE C C 13 177.1 0.5 . 1 . . . . 267 PHE C . 6971 1 655 . 1 1 65 65 PHE CA C 13 55.7 0.5 . 1 . . . . 267 PHE CA . 6971 1 656 . 1 1 65 65 PHE CB C 13 38.7 0.5 . 1 . . . . 267 PHE CB . 6971 1 657 . 1 1 65 65 PHE N N 15 114.6 0.5 . 1 . . . . 267 PHE N . 6971 1 658 . 1 1 66 66 GLY H H 1 7.31 0.04 . 1 . . . . 268 GLY H . 6971 1 659 . 1 1 66 66 GLY HA2 H 1 3.68 0.04 . 2 . . . . 268 GLY HA2 . 6971 1 660 . 1 1 66 66 GLY HA3 H 1 4.25 0.04 . 2 . . . . 268 GLY HA3 . 6971 1 661 . 1 1 66 66 GLY C C 13 175.8 0.5 . 1 . . . . 268 GLY C . 6971 1 662 . 1 1 66 66 GLY CA C 13 48.8 0.5 . 1 . . . . 268 GLY CA . 6971 1 663 . 1 1 66 66 GLY N N 15 109.8 0.5 . 1 . . . . 268 GLY N . 6971 1 664 . 1 1 67 67 ALA H H 1 8.48 0.04 . 1 . . . . 269 ALA H . 6971 1 665 . 1 1 67 67 ALA HA H 1 4.19 0.04 . 1 . . . . 269 ALA HA . 6971 1 666 . 1 1 67 67 ALA HB1 H 1 1.48 0.04 . 1 . . . . 269 ALA HB . 6971 1 667 . 1 1 67 67 ALA HB2 H 1 1.48 0.04 . 1 . . . . 269 ALA HB . 6971 1 668 . 1 1 67 67 ALA HB3 H 1 1.48 0.04 . 1 . . . . 269 ALA HB . 6971 1 669 . 1 1 67 67 ALA C C 13 181.0 0.5 . 1 . . . . 269 ALA C . 6971 1 670 . 1 1 67 67 ALA CA C 13 54.7 0.5 . 1 . . . . 269 ALA CA . 6971 1 671 . 1 1 67 67 ALA CB C 13 18.1 0.5 . 1 . . . . 269 ALA CB . 6971 1 672 . 1 1 67 67 ALA N N 15 120.7 0.5 . 1 . . . . 269 ALA N . 6971 1 673 . 1 1 68 68 HIS H H 1 8.24 0.04 . 1 . . . . 270 HIS H . 6971 1 674 . 1 1 68 68 HIS HA H 1 4.39 0.04 . 1 . . . . 270 HIS HA . 6971 1 675 . 1 1 68 68 HIS HB2 H 1 3.27 0.04 . 2 . . . . 270 HIS HB2 . 6971 1 676 . 1 1 68 68 HIS HB3 H 1 3.22 0.04 . 2 . . . . 270 HIS HB3 . 6971 1 677 . 1 1 68 68 HIS C C 13 177.2 0.5 . 1 . . . . 270 HIS C . 6971 1 678 . 1 1 68 68 HIS CA C 13 57.8 0.5 . 1 . . . . 270 HIS CA . 6971 1 679 . 1 1 68 68 HIS CB C 13 31.2 0.5 . 1 . . . . 270 HIS CB . 6971 1 680 . 1 1 68 68 HIS N N 15 119.1 0.5 . 1 . . . . 270 HIS N . 6971 1 681 . 1 1 69 69 ALA H H 1 7.87 0.04 . 1 . . . . 271 ALA H . 6971 1 682 . 1 1 69 69 ALA HA H 1 3.39 0.04 . 1 . . . . 271 ALA HA . 6971 1 683 . 1 1 69 69 ALA HB1 H 1 0.85 0.04 . 1 . . . . 271 ALA HB . 6971 1 684 . 1 1 69 69 ALA HB2 H 1 0.85 0.04 . 1 . . . . 271 ALA HB . 6971 1 685 . 1 1 69 69 ALA HB3 H 1 0.85 0.04 . 1 . . . . 271 ALA HB . 6971 1 686 . 1 1 69 69 ALA C C 13 179.8 0.5 . 1 . . . . 271 ALA C . 6971 1 687 . 1 1 69 69 ALA CA C 13 55.2 0.5 . 1 . . . . 271 ALA CA . 6971 1 688 . 1 1 69 69 ALA CB C 13 16.4 0.5 . 1 . . . . 271 ALA CB . 6971 1 689 . 1 1 69 69 ALA N N 15 120.3 0.5 . 1 . . . . 271 ALA N . 6971 1 690 . 1 1 70 70 GLY H H 1 7.45 0.04 . 1 . . . . 272 GLY H . 6971 1 691 . 1 1 70 70 GLY HA2 H 1 3.79 0.04 . 2 . . . . 272 GLY HA2 . 6971 1 692 . 1 1 70 70 GLY HA3 H 1 4.10 0.04 . 2 . . . . 272 GLY HA3 . 6971 1 693 . 1 1 70 70 GLY C C 13 177.1 0.5 . 1 . . . . 272 GLY C . 6971 1 694 . 1 1 70 70 GLY CA C 13 46.5 0.5 . 1 . . . . 272 GLY CA . 6971 1 695 . 1 1 70 70 GLY N N 15 104.6 0.5 . 1 . . . . 272 GLY N . 6971 1 696 . 1 1 71 71 ASN H H 1 7.40 0.04 . 1 . . . . 273 ASN H . 6971 1 697 . 1 1 71 71 ASN HA H 1 4.54 0.04 . 1 . . . . 273 ASN HA . 6971 1 698 . 1 1 71 71 ASN HB2 H 1 2.63 0.04 . 2 . . . . 273 ASN HB2 . 6971 1 699 . 1 1 71 71 ASN HB3 H 1 2.40 0.04 . 2 . . . . 273 ASN HB3 . 6971 1 700 . 1 1 71 71 ASN HD21 H 1 7.90 0.04 . 2 . . . . 273 ASN HD21 . 6971 1 701 . 1 1 71 71 ASN HD22 H 1 7.01 0.04 . 2 . . . . 273 ASN HD22 . 6971 1 702 . 1 1 71 71 ASN C C 13 174.8 0.5 . 1 . . . . 273 ASN C . 6971 1 703 . 1 1 71 71 ASN CA C 13 54.5 0.5 . 1 . . . . 273 ASN CA . 6971 1 704 . 1 1 71 71 ASN CB C 13 37.5 0.5 . 1 . . . . 273 ASN CB . 6971 1 705 . 1 1 71 71 ASN N N 15 119.3 0.5 . 1 . . . . 273 ASN N . 6971 1 706 . 1 1 71 71 ASN ND2 N 15 115.7 0.5 . 1 . . . . 273 ASN ND2 . 6971 1 707 . 1 1 72 72 LEU H H 1 7.15 0.04 . 1 . . . . 274 LEU H . 6971 1 708 . 1 1 72 72 LEU HA H 1 4.02 0.04 . 1 . . . . 274 LEU HA . 6971 1 709 . 1 1 72 72 LEU HB2 H 1 1.42 0.04 . 2 . . . . 274 LEU HB2 . 6971 1 710 . 1 1 72 72 LEU HB3 H 1 1.31 0.04 . 2 . . . . 274 LEU HB3 . 6971 1 711 . 1 1 72 72 LEU HG H 1 1.00 0.04 . 1 . . . . 274 LEU HG . 6971 1 712 . 1 1 72 72 LEU HD11 H 1 0.35 0.04 . 2 . . . . 274 LEU HD1 . 6971 1 713 . 1 1 72 72 LEU HD12 H 1 0.35 0.04 . 2 . . . . 274 LEU HD1 . 6971 1 714 . 1 1 72 72 LEU HD13 H 1 0.35 0.04 . 2 . . . . 274 LEU HD1 . 6971 1 715 . 1 1 72 72 LEU HD21 H 1 0.08 0.04 . 2 . . . . 274 LEU HD2 . 6971 1 716 . 1 1 72 72 LEU HD22 H 1 0.08 0.04 . 2 . . . . 274 LEU HD2 . 6971 1 717 . 1 1 72 72 LEU HD23 H 1 0.08 0.04 . 2 . . . . 274 LEU HD2 . 6971 1 718 . 1 1 72 72 LEU C C 13 173.3 0.5 . 1 . . . . 274 LEU C . 6971 1 719 . 1 1 72 72 LEU CA C 13 53.0 0.5 . 1 . . . . 274 LEU CA . 6971 1 720 . 1 1 72 72 LEU CB C 13 41.4 0.5 . 1 . . . . 274 LEU CB . 6971 1 721 . 1 1 72 72 LEU CG C 13 26.5 0.5 . 1 . . . . 274 LEU CG . 6971 1 722 . 1 1 72 72 LEU CD1 C 13 22.7 0.5 . 2 . . . . 274 LEU CD1 . 6971 1 723 . 1 1 72 72 LEU CD2 C 13 25.0 0.5 . 2 . . . . 274 LEU CD2 . 6971 1 724 . 1 1 72 72 LEU N N 15 120.9 0.5 . 1 . . . . 274 LEU N . 6971 1 725 . 1 1 73 73 ASN H H 1 7.31 0.04 . 1 . . . . 275 ASN H . 6971 1 726 . 1 1 73 73 ASN HA H 1 4.17 0.04 . 1 . . . . 275 ASN HA . 6971 1 727 . 1 1 73 73 ASN HB2 H 1 3.04 0.04 . 2 . . . . 275 ASN HB2 . 6971 1 728 . 1 1 73 73 ASN HB3 H 1 2.82 0.04 . 2 . . . . 275 ASN HB3 . 6971 1 729 . 1 1 73 73 ASN HD21 H 1 7.31 0.04 . 2 . . . . 275 ASN HD21 . 6971 1 730 . 1 1 73 73 ASN HD22 H 1 6.56 0.04 . 2 . . . . 275 ASN HD22 . 6971 1 731 . 1 1 73 73 ASN C C 13 173.6 0.5 . 1 . . . . 275 ASN C . 6971 1 732 . 1 1 73 73 ASN CA C 13 54.3 0.5 . 1 . . . . 275 ASN CA . 6971 1 733 . 1 1 73 73 ASN CB C 13 35.3 0.5 . 1 . . . . 275 ASN CB . 6971 1 734 . 1 1 73 73 ASN N N 15 110.0 0.5 . 1 . . . . 275 ASN N . 6971 1 735 . 1 1 73 73 ASN ND2 N 15 110.5 0.5 . 1 . . . . 275 ASN ND2 . 6971 1 736 . 1 1 74 74 LEU H H 1 7.12 0.04 . 1 . . . . 276 LEU H . 6971 1 737 . 1 1 74 74 LEU HA H 1 4.26 0.04 . 1 . . . . 276 LEU HA . 6971 1 738 . 1 1 74 74 LEU HB2 H 1 1.37 0.04 . 2 . . . . 276 LEU HB2 . 6971 1 739 . 1 1 74 74 LEU HB3 H 1 1.01 0.04 . 2 . . . . 276 LEU HB3 . 6971 1 740 . 1 1 74 74 LEU HG H 1 0.39 0.04 . 1 . . . . 276 LEU HG . 6971 1 741 . 1 1 74 74 LEU HD11 H 1 1.31 0.04 . 2 . . . . 276 LEU HD1 . 6971 1 742 . 1 1 74 74 LEU HD12 H 1 1.31 0.04 . 2 . . . . 276 LEU HD1 . 6971 1 743 . 1 1 74 74 LEU HD13 H 1 1.31 0.04 . 2 . . . . 276 LEU HD1 . 6971 1 744 . 1 1 74 74 LEU HD21 H 1 0.94 0.04 . 2 . . . . 276 LEU HD2 . 6971 1 745 . 1 1 74 74 LEU HD22 H 1 0.94 0.04 . 2 . . . . 276 LEU HD2 . 6971 1 746 . 1 1 74 74 LEU HD23 H 1 0.94 0.04 . 2 . . . . 276 LEU HD2 . 6971 1 747 . 1 1 74 74 LEU C C 13 177.3 0.5 . 1 . . . . 276 LEU C . 6971 1 748 . 1 1 74 74 LEU CA C 13 53.1 0.5 . 1 . . . . 276 LEU CA . 6971 1 749 . 1 1 74 74 LEU CB C 13 43.5 0.5 . 1 . . . . 276 LEU CB . 6971 1 750 . 1 1 74 74 LEU CG C 13 26.3 0.5 . 1 . . . . 276 LEU CG . 6971 1 751 . 1 1 74 74 LEU CD1 C 13 26.1 0.5 . 2 . . . . 276 LEU CD1 . 6971 1 752 . 1 1 74 74 LEU CD2 C 13 23.7 0.5 . 2 . . . . 276 LEU CD2 . 6971 1 753 . 1 1 74 74 LEU N N 15 116.3 0.5 . 1 . . . . 276 LEU N . 6971 1 754 . 1 1 75 75 LYS H H 1 9.53 0.04 . 1 . . . . 277 LYS H . 6971 1 755 . 1 1 75 75 LYS HA H 1 4.23 0.04 . 1 . . . . 277 LYS HA . 6971 1 756 . 1 1 75 75 LYS HB2 H 1 1.87 0.04 . 2 . . . . 277 LYS HB2 . 6971 1 757 . 1 1 75 75 LYS HB3 H 1 1.44 0.04 . 2 . . . . 277 LYS HB3 . 6971 1 758 . 1 1 75 75 LYS HG2 H 1 1.47 0.04 . 2 . . . . 277 LYS HG2 . 6971 1 759 . 1 1 75 75 LYS HG3 H 1 1.41 0.04 . 2 . . . . 277 LYS HG3 . 6971 1 760 . 1 1 75 75 LYS HE2 H 1 2.91 0.04 . 1 . . . . 277 LYS HE2 . 6971 1 761 . 1 1 75 75 LYS HE3 H 1 2.91 0.04 . 1 . . . . 277 LYS HE3 . 6971 1 762 . 1 1 75 75 LYS C C 13 178.7 0.5 . 1 . . . . 277 LYS C . 6971 1 763 . 1 1 75 75 LYS CA C 13 56.7 0.5 . 1 . . . . 277 LYS CA . 6971 1 764 . 1 1 75 75 LYS CB C 13 32.6 0.5 . 1 . . . . 277 LYS CB . 6971 1 765 . 1 1 75 75 LYS CG C 13 25.3 0.5 . 1 . . . . 277 LYS CG . 6971 1 766 . 1 1 75 75 LYS N N 15 121.5 0.5 . 1 . . . . 277 LYS N . 6971 1 767 . 1 1 76 76 THR H H 1 8.09 0.04 . 1 . . . . 278 THR H . 6971 1 768 . 1 1 76 76 THR HA H 1 3.82 0.04 . 1 . . . . 278 THR HA . 6971 1 769 . 1 1 76 76 THR HB H 1 4.43 0.04 . 1 . . . . 278 THR HB . 6971 1 770 . 1 1 76 76 THR HG21 H 1 1.15 0.04 . 1 . . . . 278 THR HG2 . 6971 1 771 . 1 1 76 76 THR HG22 H 1 1.15 0.04 . 1 . . . . 278 THR HG2 . 6971 1 772 . 1 1 76 76 THR HG23 H 1 1.15 0.04 . 1 . . . . 278 THR HG2 . 6971 1 773 . 1 1 76 76 THR C C 13 173.6 0.5 . 1 . . . . 278 THR C . 6971 1 774 . 1 1 76 76 THR CA C 13 62.1 0.5 . 1 . . . . 278 THR CA . 6971 1 775 . 1 1 76 76 THR CB C 13 68.5 0.5 . 1 . . . . 278 THR CB . 6971 1 776 . 1 1 76 76 THR CG2 C 13 22.2 0.5 . 1 . . . . 278 THR CG2 . 6971 1 777 . 1 1 76 76 THR N N 15 110.1 0.5 . 1 . . . . 278 THR N . 6971 1 778 . 1 1 77 77 ASP H H 1 7.74 0.04 . 1 . . . . 279 ASP H . 6971 1 779 . 1 1 77 77 ASP HA H 1 4.51 0.04 . 1 . . . . 279 ASP HA . 6971 1 780 . 1 1 77 77 ASP HB2 H 1 2.83 0.04 . 2 . . . . 279 ASP HB2 . 6971 1 781 . 1 1 77 77 ASP HB3 H 1 2.44 0.04 . 2 . . . . 279 ASP HB3 . 6971 1 782 . 1 1 77 77 ASP C C 13 175.0 0.5 . 1 . . . . 279 ASP C . 6971 1 783 . 1 1 77 77 ASP CA C 13 52.7 0.5 . 1 . . . . 279 ASP CA . 6971 1 784 . 1 1 77 77 ASP CB C 13 40.6 0.5 . 1 . . . . 279 ASP CB . 6971 1 785 . 1 1 77 77 ASP N N 15 116.6 0.5 . 1 . . . . 279 ASP N . 6971 1 786 . 1 1 78 78 LYS H H 1 5.67 0.04 . 1 . . . . 280 LYS H . 6971 1 787 . 1 1 78 78 LYS HA H 1 4.37 0.04 . 1 . . . . 280 LYS HA . 6971 1 788 . 1 1 78 78 LYS HB2 H 1 1.45 0.04 . 2 . . . . 280 LYS HB2 . 6971 1 789 . 1 1 78 78 LYS HB3 H 1 1.27 0.04 . 2 . . . . 280 LYS HB3 . 6971 1 790 . 1 1 78 78 LYS HE2 H 1 2.90 0.04 . 1 . . . . 280 LYS HE2 . 6971 1 791 . 1 1 78 78 LYS HE3 H 1 2.90 0.04 . 1 . . . . 280 LYS HE3 . 6971 1 792 . 1 1 78 78 LYS C C 13 171.8 0.5 . 1 . . . . 280 LYS C . 6971 1 793 . 1 1 78 78 LYS CA C 13 55.4 0.5 . 1 . . . . 280 LYS CA . 6971 1 794 . 1 1 78 78 LYS CB C 13 33.8 0.5 . 1 . . . . 280 LYS CB . 6971 1 795 . 1 1 78 78 LYS N N 15 120.2 0.5 . 1 . . . . 280 LYS N . 6971 1 796 . 1 1 79 79 PHE H H 1 8.31 0.04 . 1 . . . . 281 PHE H . 6971 1 797 . 1 1 79 79 PHE HA H 1 4.78 0.04 . 1 . . . . 281 PHE HA . 6971 1 798 . 1 1 79 79 PHE HB2 H 1 3.08 0.04 . 2 . . . . 281 PHE HB2 . 6971 1 799 . 1 1 79 79 PHE HB3 H 1 2.62 0.04 . 2 . . . . 281 PHE HB3 . 6971 1 800 . 1 1 79 79 PHE HD1 H 1 7.05 0.04 . 1 . . . . 281 PHE HD1 . 6971 1 801 . 1 1 79 79 PHE HD2 H 1 7.05 0.04 . 1 . . . . 281 PHE HD2 . 6971 1 802 . 1 1 79 79 PHE HE1 H 1 7.29 0.04 . 1 . . . . 281 PHE HE1 . 6971 1 803 . 1 1 79 79 PHE HE2 H 1 7.29 0.04 . 1 . . . . 281 PHE HE2 . 6971 1 804 . 1 1 79 79 PHE C C 13 172.1 0.5 . 1 . . . . 281 PHE C . 6971 1 805 . 1 1 79 79 PHE CA C 13 55.1 0.5 . 1 . . . . 281 PHE CA . 6971 1 806 . 1 1 79 79 PHE CB C 13 40.4 0.5 . 1 . . . . 281 PHE CB . 6971 1 807 . 1 1 79 79 PHE N N 15 123.9 0.5 . 1 . . . . 281 PHE N . 6971 1 808 . 1 1 80 80 PRO HA H 1 5.21 0.04 . 1 . . . . 282 PRO HA . 6971 1 809 . 1 1 80 80 PRO HB2 H 1 2.65 0.04 . 2 . . . . 282 PRO HB2 . 6971 1 810 . 1 1 80 80 PRO HB3 H 1 2.25 0.04 . 2 . . . . 282 PRO HB3 . 6971 1 811 . 1 1 80 80 PRO HG2 H 1 2.13 0.04 . 2 . . . . 282 PRO HG2 . 6971 1 812 . 1 1 80 80 PRO HG3 H 1 2.02 0.04 . 2 . . . . 282 PRO HG3 . 6971 1 813 . 1 1 80 80 PRO HD2 H 1 3.82 0.04 . 2 . . . . 282 PRO HD2 . 6971 1 814 . 1 1 80 80 PRO HD3 H 1 3.74 0.04 . 2 . . . . 282 PRO HD3 . 6971 1 815 . 1 1 80 80 PRO C C 13 174.9 0.5 . 1 . . . . 282 PRO C . 6971 1 816 . 1 1 80 80 PRO CA C 13 63.0 0.5 . 1 . . . . 282 PRO CA . 6971 1 817 . 1 1 80 80 PRO CB C 13 36.8 0.5 . 1 . . . . 282 PRO CB . 6971 1 818 . 1 1 80 80 PRO CG C 13 25.2 0.5 . 1 . . . . 282 PRO CG . 6971 1 819 . 1 1 80 80 PRO CD C 13 51.6 0.5 . 1 . . . . 282 PRO CD . 6971 1 820 . 1 1 81 81 ALA H H 1 9.16 0.04 . 1 . . . . 283 ALA H . 6971 1 821 . 1 1 81 81 ALA HA H 1 5.19 0.04 . 1 . . . . 283 ALA HA . 6971 1 822 . 1 1 81 81 ALA HB1 H 1 1.66 0.04 . 1 . . . . 283 ALA HB . 6971 1 823 . 1 1 81 81 ALA HB2 H 1 1.66 0.04 . 1 . . . . 283 ALA HB . 6971 1 824 . 1 1 81 81 ALA HB3 H 1 1.66 0.04 . 1 . . . . 283 ALA HB . 6971 1 825 . 1 1 81 81 ALA C C 13 174.2 0.5 . 1 . . . . 283 ALA C . 6971 1 826 . 1 1 81 81 ALA CA C 13 51.5 0.5 . 1 . . . . 283 ALA CA . 6971 1 827 . 1 1 81 81 ALA CB C 13 25.4 0.5 . 1 . . . . 283 ALA CB . 6971 1 828 . 1 1 81 81 ALA N N 15 121.6 0.5 . 1 . . . . 283 ALA N . 6971 1 829 . 1 1 82 82 PHE H H 1 10.07 0.04 . 1 . . . . 284 PHE H . 6971 1 830 . 1 1 82 82 PHE HA H 1 6.08 0.04 . 1 . . . . 284 PHE HA . 6971 1 831 . 1 1 82 82 PHE HB2 H 1 2.73 0.04 . 1 . . . . 284 PHE HB2 . 6971 1 832 . 1 1 82 82 PHE HB3 H 1 2.73 0.04 . 1 . . . . 284 PHE HB3 . 6971 1 833 . 1 1 82 82 PHE HD1 H 1 6.97 0.04 . 1 . . . . 284 PHE HD1 . 6971 1 834 . 1 1 82 82 PHE HD2 H 1 6.97 0.04 . 1 . . . . 284 PHE HD2 . 6971 1 835 . 1 1 82 82 PHE HE1 H 1 7.06 0.04 . 1 . . . . 284 PHE HE1 . 6971 1 836 . 1 1 82 82 PHE HE2 H 1 7.06 0.04 . 1 . . . . 284 PHE HE2 . 6971 1 837 . 1 1 82 82 PHE C C 13 173.2 0.5 . 1 . . . . 284 PHE C . 6971 1 838 . 1 1 82 82 PHE CA C 13 56.0 0.5 . 1 . . . . 284 PHE CA . 6971 1 839 . 1 1 82 82 PHE CB C 13 43.8 0.5 . 1 . . . . 284 PHE CB . 6971 1 840 . 1 1 82 82 PHE N N 15 123.6 0.5 . 1 . . . . 284 PHE N . 6971 1 841 . 1 1 83 83 ALA H H 1 7.58 0.04 . 1 . . . . 285 ALA H . 6971 1 842 . 1 1 83 83 ALA HA H 1 4.95 0.04 . 1 . . . . 285 ALA HA . 6971 1 843 . 1 1 83 83 ALA HB1 H 1 1.31 0.04 . 1 . . . . 285 ALA HB . 6971 1 844 . 1 1 83 83 ALA HB2 H 1 1.31 0.04 . 1 . . . . 285 ALA HB . 6971 1 845 . 1 1 83 83 ALA HB3 H 1 1.31 0.04 . 1 . . . . 285 ALA HB . 6971 1 846 . 1 1 83 83 ALA C C 13 174.4 0.5 . 1 . . . . 285 ALA C . 6971 1 847 . 1 1 83 83 ALA CA C 13 51.3 0.5 . 1 . . . . 285 ALA CA . 6971 1 848 . 1 1 83 83 ALA CB C 13 25.0 0.5 . 1 . . . . 285 ALA CB . 6971 1 849 . 1 1 83 83 ALA N N 15 125.0 0.5 . 1 . . . . 285 ALA N . 6971 1 850 . 1 1 84 84 ILE H H 1 8.33 0.04 . 1 . . . . 286 ILE H . 6971 1 851 . 1 1 84 84 ILE HA H 1 4.70 0.04 . 1 . . . . 286 ILE HA . 6971 1 852 . 1 1 84 84 ILE HB H 1 1.28 0.04 . 1 . . . . 286 ILE HB . 6971 1 853 . 1 1 84 84 ILE HG12 H 1 1.60 0.04 . 2 . . . . 286 ILE HG12 . 6971 1 854 . 1 1 84 84 ILE HG13 H 1 0.37 0.04 . 2 . . . . 286 ILE HG13 . 6971 1 855 . 1 1 84 84 ILE HG21 H 1 -0.09 0.04 . 1 . . . . 286 ILE HG2 . 6971 1 856 . 1 1 84 84 ILE HG22 H 1 -0.09 0.04 . 1 . . . . 286 ILE HG2 . 6971 1 857 . 1 1 84 84 ILE HG23 H 1 -0.09 0.04 . 1 . . . . 286 ILE HG2 . 6971 1 858 . 1 1 84 84 ILE HD11 H 1 0.38 0.04 . 1 . . . . 286 ILE HD1 . 6971 1 859 . 1 1 84 84 ILE HD12 H 1 0.38 0.04 . 1 . . . . 286 ILE HD1 . 6971 1 860 . 1 1 84 84 ILE HD13 H 1 0.38 0.04 . 1 . . . . 286 ILE HD1 . 6971 1 861 . 1 1 84 84 ILE C C 13 173.8 0.5 . 1 . . . . 286 ILE C . 6971 1 862 . 1 1 84 84 ILE CA C 13 60.2 0.5 . 1 . . . . 286 ILE CA . 6971 1 863 . 1 1 84 84 ILE CB C 13 41.0 0.5 . 1 . . . . 286 ILE CB . 6971 1 864 . 1 1 84 84 ILE CG1 C 13 28.7 0.5 . 1 . . . . 286 ILE CG1 . 6971 1 865 . 1 1 84 84 ILE CG2 C 13 17.2 0.5 . 1 . . . . 286 ILE CG2 . 6971 1 866 . 1 1 84 84 ILE CD1 C 13 13.7 0.5 . 1 . . . . 286 ILE CD1 . 6971 1 867 . 1 1 84 84 ILE N N 15 119.4 0.5 . 1 . . . . 286 ILE N . 6971 1 868 . 1 1 85 85 GLN H H 1 9.70 0.04 . 1 . . . . 287 GLN H . 6971 1 869 . 1 1 85 85 GLN HA H 1 4.93 0.04 . 1 . . . . 287 GLN HA . 6971 1 870 . 1 1 85 85 GLN HB2 H 1 2.30 0.04 . 2 . . . . 287 GLN HB2 . 6971 1 871 . 1 1 85 85 GLN HB3 H 1 1.93 0.04 . 2 . . . . 287 GLN HB3 . 6971 1 872 . 1 1 85 85 GLN HG2 H 1 2.53 0.04 . 2 . . . . 287 GLN HG2 . 6971 1 873 . 1 1 85 85 GLN HG3 H 1 2.26 0.04 . 2 . . . . 287 GLN HG3 . 6971 1 874 . 1 1 85 85 GLN HE21 H 1 7.63 0.04 . 2 . . . . 287 GLN HE21 . 6971 1 875 . 1 1 85 85 GLN HE22 H 1 6.68 0.04 . 2 . . . . 287 GLN HE22 . 6971 1 876 . 1 1 85 85 GLN C C 13 174.4 0.5 . 1 . . . . 287 GLN C . 6971 1 877 . 1 1 85 85 GLN CA C 13 53.8 0.5 . 1 . . . . 287 GLN CA . 6971 1 878 . 1 1 85 85 GLN CB C 13 32.5 0.5 . 1 . . . . 287 GLN CB . 6971 1 879 . 1 1 85 85 GLN CG C 13 32.5 0.5 . 1 . . . . 287 GLN CG . 6971 1 880 . 1 1 85 85 GLN N N 15 129.6 0.5 . 1 . . . . 287 GLN N . 6971 1 881 . 1 1 85 85 GLN NE2 N 15 110.7 0.5 . 1 . . . . 287 GLN NE2 . 6971 1 882 . 1 1 86 86 GLU H H 1 9.23 0.04 . 1 . . . . 288 GLU H . 6971 1 883 . 1 1 86 86 GLU HA H 1 4.42 0.04 . 1 . . . . 288 GLU HA . 6971 1 884 . 1 1 86 86 GLU HB2 H 1 2.65 0.04 . 2 . . . . 288 GLU HB2 . 6971 1 885 . 1 1 86 86 GLU HB3 H 1 2.06 0.04 . 2 . . . . 288 GLU HB3 . 6971 1 886 . 1 1 86 86 GLU HG2 H 1 2.25 0.04 . 1 . . . . 288 GLU HG2 . 6971 1 887 . 1 1 86 86 GLU HG3 H 1 2.25 0.04 . 1 . . . . 288 GLU HG3 . 6971 1 888 . 1 1 86 86 GLU C C 13 176.7 0.5 . 1 . . . . 288 GLU C . 6971 1 889 . 1 1 86 86 GLU CA C 13 56.9 0.5 . 1 . . . . 288 GLU CA . 6971 1 890 . 1 1 86 86 GLU CB C 13 31.3 0.5 . 1 . . . . 288 GLU CB . 6971 1 891 . 1 1 86 86 GLU N N 15 131.9 0.5 . 1 . . . . 288 GLU N . 6971 1 892 . 1 1 87 87 VAL H H 1 7.29 0.04 . 1 . . . . 289 VAL H . 6971 1 893 . 1 1 87 87 VAL HA H 1 3.77 0.04 . 1 . . . . 289 VAL HA . 6971 1 894 . 1 1 87 87 VAL HB H 1 2.04 0.04 . 1 . . . . 289 VAL HB . 6971 1 895 . 1 1 87 87 VAL HG11 H 1 0.98 0.04 . 2 . . . . 289 VAL HG1 . 6971 1 896 . 1 1 87 87 VAL HG12 H 1 0.98 0.04 . 2 . . . . 289 VAL HG1 . 6971 1 897 . 1 1 87 87 VAL HG13 H 1 0.98 0.04 . 2 . . . . 289 VAL HG1 . 6971 1 898 . 1 1 87 87 VAL HG21 H 1 1.05 0.04 . 2 . . . . 289 VAL HG2 . 6971 1 899 . 1 1 87 87 VAL HG22 H 1 1.05 0.04 . 2 . . . . 289 VAL HG2 . 6971 1 900 . 1 1 87 87 VAL HG23 H 1 1.05 0.04 . 2 . . . . 289 VAL HG2 . 6971 1 901 . 1 1 87 87 VAL C C 13 177.7 0.5 . 1 . . . . 289 VAL C . 6971 1 902 . 1 1 87 87 VAL CA C 13 65.7 0.5 . 1 . . . . 289 VAL CA . 6971 1 903 . 1 1 87 87 VAL CB C 13 32.5 0.5 . 1 . . . . 289 VAL CB . 6971 1 904 . 1 1 87 87 VAL CG1 C 13 21.6 0.5 . 2 . . . . 289 VAL CG1 . 6971 1 905 . 1 1 87 87 VAL CG2 C 13 21.7 0.5 . 2 . . . . 289 VAL CG2 . 6971 1 906 . 1 1 87 87 VAL N N 15 125.1 0.5 . 1 . . . . 289 VAL N . 6971 1 907 . 1 1 88 88 ALA H H 1 8.85 0.04 . 1 . . . . 290 ALA H . 6971 1 908 . 1 1 88 88 ALA HA H 1 4.24 0.04 . 1 . . . . 290 ALA HA . 6971 1 909 . 1 1 88 88 ALA HB1 H 1 1.58 0.04 . 1 . . . . 290 ALA HB . 6971 1 910 . 1 1 88 88 ALA HB2 H 1 1.58 0.04 . 1 . . . . 290 ALA HB . 6971 1 911 . 1 1 88 88 ALA HB3 H 1 1.58 0.04 . 1 . . . . 290 ALA HB . 6971 1 912 . 1 1 88 88 ALA C C 13 179.8 0.5 . 1 . . . . 290 ALA C . 6971 1 913 . 1 1 88 88 ALA CA C 13 55.0 0.5 . 1 . . . . 290 ALA CA . 6971 1 914 . 1 1 88 88 ALA CB C 13 18.8 0.5 . 1 . . . . 290 ALA CB . 6971 1 915 . 1 1 88 88 ALA N N 15 124.8 0.5 . 1 . . . . 290 ALA N . 6971 1 916 . 1 1 89 89 LYS H H 1 8.40 0.04 . 1 . . . . 291 LYS H . 6971 1 917 . 1 1 89 89 LYS HA H 1 4.36 0.04 . 1 . . . . 291 LYS HA . 6971 1 918 . 1 1 89 89 LYS HB2 H 1 2.00 0.04 . 2 . . . . 291 LYS HB2 . 6971 1 919 . 1 1 89 89 LYS HB3 H 1 1.50 0.04 . 2 . . . . 291 LYS HB3 . 6971 1 920 . 1 1 89 89 LYS HG2 H 1 1.44 0.04 . 2 . . . . 291 LYS HG2 . 6971 1 921 . 1 1 89 89 LYS HG3 H 1 1.37 0.04 . 2 . . . . 291 LYS HG3 . 6971 1 922 . 1 1 89 89 LYS HE2 H 1 2.65 0.04 . 1 . . . . 291 LYS HE2 . 6971 1 923 . 1 1 89 89 LYS HE3 H 1 2.65 0.04 . 1 . . . . 291 LYS HE3 . 6971 1 924 . 1 1 89 89 LYS C C 13 176.1 0.5 . 1 . . . . 291 LYS C . 6971 1 925 . 1 1 89 89 LYS CA C 13 55.5 0.5 . 1 . . . . 291 LYS CA . 6971 1 926 . 1 1 89 89 LYS CB C 13 33.5 0.5 . 1 . . . . 291 LYS CB . 6971 1 927 . 1 1 89 89 LYS CG C 13 25.6 0.5 . 1 . . . . 291 LYS CG . 6971 1 928 . 1 1 89 89 LYS N N 15 114.7 0.5 . 1 . . . . 291 LYS N . 6971 1 929 . 1 1 90 90 ASN H H 1 7.93 0.04 . 1 . . . . 292 ASN H . 6971 1 930 . 1 1 90 90 ASN HA H 1 4.54 0.04 . 1 . . . . 292 ASN HA . 6971 1 931 . 1 1 90 90 ASN HB2 H 1 3.30 0.04 . 2 . . . . 292 ASN HB2 . 6971 1 932 . 1 1 90 90 ASN HB3 H 1 2.59 0.04 . 2 . . . . 292 ASN HB3 . 6971 1 933 . 1 1 90 90 ASN HD21 H 1 7.51 0.04 . 2 . . . . 292 ASN HD21 . 6971 1 934 . 1 1 90 90 ASN HD22 H 1 6.76 0.04 . 2 . . . . 292 ASN HD22 . 6971 1 935 . 1 1 90 90 ASN C C 13 174.4 0.5 . 1 . . . . 292 ASN C . 6971 1 936 . 1 1 90 90 ASN CA C 13 53.7 0.5 . 1 . . . . 292 ASN CA . 6971 1 937 . 1 1 90 90 ASN CB C 13 37.0 0.5 . 1 . . . . 292 ASN CB . 6971 1 938 . 1 1 90 90 ASN N N 15 118.9 0.5 . 1 . . . . 292 ASN N . 6971 1 939 . 1 1 90 90 ASN ND2 N 15 111.6 0.5 . 1 . . . . 292 ASN ND2 . 6971 1 940 . 1 1 91 91 GLN H H 1 7.78 0.04 . 1 . . . . 293 GLN H . 6971 1 941 . 1 1 91 91 GLN HA H 1 4.63 0.04 . 1 . . . . 293 GLN HA . 6971 1 942 . 1 1 91 91 GLN HB2 H 1 2.14 0.04 . 2 . . . . 293 GLN HB2 . 6971 1 943 . 1 1 91 91 GLN HB3 H 1 1.81 0.04 . 2 . . . . 293 GLN HB3 . 6971 1 944 . 1 1 91 91 GLN HG2 H 1 2.34 0.04 . 1 . . . . 293 GLN HG2 . 6971 1 945 . 1 1 91 91 GLN HG3 H 1 2.34 0.04 . 1 . . . . 293 GLN HG3 . 6971 1 946 . 1 1 91 91 GLN HE21 H 1 7.48 0.04 . 2 . . . . 293 GLN HE21 . 6971 1 947 . 1 1 91 91 GLN HE22 H 1 6.80 0.04 . 2 . . . . 293 GLN HE22 . 6971 1 948 . 1 1 91 91 GLN C C 13 174.8 0.5 . 1 . . . . 293 GLN C . 6971 1 949 . 1 1 91 91 GLN CA C 13 54.0 0.5 . 1 . . . . 293 GLN CA . 6971 1 950 . 1 1 91 91 GLN CB C 13 32.4 0.5 . 1 . . . . 293 GLN CB . 6971 1 951 . 1 1 91 91 GLN CG C 13 33.8 0.5 . 1 . . . . 293 GLN CG . 6971 1 952 . 1 1 91 91 GLN N N 15 116.2 0.5 . 1 . . . . 293 GLN N . 6971 1 953 . 1 1 91 91 GLN NE2 N 15 110.3 0.5 . 1 . . . . 293 GLN NE2 . 6971 1 954 . 1 1 92 92 LYS H H 1 8.70 0.04 . 1 . . . . 294 LYS H . 6971 1 955 . 1 1 92 92 LYS HA H 1 4.91 0.04 . 1 . . . . 294 LYS HA . 6971 1 956 . 1 1 92 92 LYS HB2 H 1 1.65 0.04 . 2 . . . . 294 LYS HB2 . 6971 1 957 . 1 1 92 92 LYS HB3 H 1 1.53 0.04 . 2 . . . . 294 LYS HB3 . 6971 1 958 . 1 1 92 92 LYS HG2 H 1 1.42 0.04 . 2 . . . . 294 LYS HG2 . 6971 1 959 . 1 1 92 92 LYS HG3 H 1 1.20 0.04 . 2 . . . . 294 LYS HG3 . 6971 1 960 . 1 1 92 92 LYS HD2 H 1 1.54 0.04 . 1 . . . . 294 LYS HD2 . 6971 1 961 . 1 1 92 92 LYS HD3 H 1 1.54 0.04 . 1 . . . . 294 LYS HD3 . 6971 1 962 . 1 1 92 92 LYS HE2 H 1 2.81 0.04 . 1 . . . . 294 LYS HE2 . 6971 1 963 . 1 1 92 92 LYS HE3 H 1 2.81 0.04 . 1 . . . . 294 LYS HE3 . 6971 1 964 . 1 1 92 92 LYS C C 13 174.6 0.5 . 1 . . . . 294 LYS C . 6971 1 965 . 1 1 92 92 LYS CA C 13 55.7 0.5 . 1 . . . . 294 LYS CA . 6971 1 966 . 1 1 92 92 LYS CB C 13 34.3 0.5 . 1 . . . . 294 LYS CB . 6971 1 967 . 1 1 92 92 LYS CG C 13 25.2 0.5 . 1 . . . . 294 LYS CG . 6971 1 968 . 1 1 92 92 LYS N N 15 122.2 0.5 . 1 . . . . 294 LYS N . 6971 1 969 . 1 1 93 93 PHE H H 1 9.06 0.04 . 1 . . . . 295 PHE H . 6971 1 970 . 1 1 93 93 PHE HA H 1 5.29 0.04 . 1 . . . . 295 PHE HA . 6971 1 971 . 1 1 93 93 PHE HB2 H 1 3.15 0.04 . 2 . . . . 295 PHE HB2 . 6971 1 972 . 1 1 93 93 PHE HB3 H 1 3.02 0.04 . 2 . . . . 295 PHE HB3 . 6971 1 973 . 1 1 93 93 PHE HD1 H 1 7.12 0.04 . 1 . . . . 295 PHE HD1 . 6971 1 974 . 1 1 93 93 PHE HD2 H 1 7.12 0.04 . 1 . . . . 295 PHE HD2 . 6971 1 975 . 1 1 93 93 PHE HE1 H 1 7.31 0.04 . 1 . . . . 295 PHE HE1 . 6971 1 976 . 1 1 93 93 PHE HE2 H 1 7.31 0.04 . 1 . . . . 295 PHE HE2 . 6971 1 977 . 1 1 93 93 PHE HZ H 1 7.35 0.04 . 1 . . . . 295 PHE HZ . 6971 1 978 . 1 1 93 93 PHE C C 13 174.4 0.5 . 1 . . . . 295 PHE C . 6971 1 979 . 1 1 93 93 PHE CA C 13 54.9 0.5 . 1 . . . . 295 PHE CA . 6971 1 980 . 1 1 93 93 PHE CB C 13 39.5 0.5 . 1 . . . . 295 PHE CB . 6971 1 981 . 1 1 93 93 PHE N N 15 120.0 0.5 . 1 . . . . 295 PHE N . 6971 1 982 . 1 1 94 94 PRO HA H 1 4.75 0.04 . 1 . . . . 296 PRO HA . 6971 1 983 . 1 1 94 94 PRO HB2 H 1 2.21 0.04 . 2 . . . . 296 PRO HB2 . 6971 1 984 . 1 1 94 94 PRO HB3 H 1 1.99 0.04 . 2 . . . . 296 PRO HB3 . 6971 1 985 . 1 1 94 94 PRO HG2 H 1 2.29 0.04 . 2 . . . . 296 PRO HG2 . 6971 1 986 . 1 1 94 94 PRO HG3 H 1 2.11 0.04 . 2 . . . . 296 PRO HG3 . 6971 1 987 . 1 1 94 94 PRO HD2 H 1 4.16 0.04 . 2 . . . . 296 PRO HD2 . 6971 1 988 . 1 1 94 94 PRO HD3 H 1 3.42 0.04 . 2 . . . . 296 PRO HD3 . 6971 1 989 . 1 1 94 94 PRO C C 13 176.4 0.5 . 1 . . . . 296 PRO C . 6971 1 990 . 1 1 94 94 PRO CA C 13 62.3 0.5 . 1 . . . . 296 PRO CA . 6971 1 991 . 1 1 94 94 PRO CB C 13 32.5 0.5 . 1 . . . . 296 PRO CB . 6971 1 992 . 1 1 94 94 PRO CG C 13 26.8 0.5 . 1 . . . . 296 PRO CG . 6971 1 993 . 1 1 94 94 PRO CD C 13 50.7 0.5 . 1 . . . . 296 PRO CD . 6971 1 994 . 1 1 95 95 PHE H H 1 8.70 0.04 . 1 . . . . 297 PHE H . 6971 1 995 . 1 1 95 95 PHE HA H 1 4.18 0.04 . 1 . . . . 297 PHE HA . 6971 1 996 . 1 1 95 95 PHE HB2 H 1 3.33 0.04 . 2 . . . . 297 PHE HB2 . 6971 1 997 . 1 1 95 95 PHE HB3 H 1 2.09 0.04 . 2 . . . . 297 PHE HB3 . 6971 1 998 . 1 1 95 95 PHE HD1 H 1 6.64 0.04 . 1 . . . . 297 PHE HD1 . 6971 1 999 . 1 1 95 95 PHE HD2 H 1 6.64 0.04 . 1 . . . . 297 PHE HD2 . 6971 1 1000 . 1 1 95 95 PHE HE1 H 1 6.97 0.04 . 1 . . . . 297 PHE HE1 . 6971 1 1001 . 1 1 95 95 PHE HE2 H 1 6.97 0.04 . 1 . . . . 297 PHE HE2 . 6971 1 1002 . 1 1 95 95 PHE C C 13 175.4 0.5 . 1 . . . . 297 PHE C . 6971 1 1003 . 1 1 95 95 PHE CA C 13 57.1 0.5 . 1 . . . . 297 PHE CA . 6971 1 1004 . 1 1 95 95 PHE CB C 13 40.5 0.5 . 1 . . . . 297 PHE CB . 6971 1 1005 . 1 1 95 95 PHE N N 15 127.6 0.5 . 1 . . . . 297 PHE N . 6971 1 1006 . 1 1 96 96 ASP H H 1 7.12 0.04 . 1 . . . . 298 ASP H . 6971 1 1007 . 1 1 96 96 ASP HA H 1 4.05 0.04 . 1 . . . . 298 ASP HA . 6971 1 1008 . 1 1 96 96 ASP HB2 H 1 2.36 0.04 . 2 . . . . 298 ASP HB2 . 6971 1 1009 . 1 1 96 96 ASP HB3 H 1 2.09 0.04 . 2 . . . . 298 ASP HB3 . 6971 1 1010 . 1 1 96 96 ASP C C 13 175.7 0.5 . 1 . . . . 298 ASP C . 6971 1 1011 . 1 1 96 96 ASP CA C 13 55.1 0.5 . 1 . . . . 298 ASP CA . 6971 1 1012 . 1 1 96 96 ASP CB C 13 41.6 0.5 . 1 . . . . 298 ASP CB . 6971 1 1013 . 1 1 96 96 ASP N N 15 129.1 0.5 . 1 . . . . 298 ASP N . 6971 1 1014 . 1 1 97 97 GLN H H 1 8.22 0.04 . 1 . . . . 299 GLN H . 6971 1 1015 . 1 1 97 97 GLN HA H 1 4.62 0.04 . 1 . . . . 299 GLN HA . 6971 1 1016 . 1 1 97 97 GLN HB2 H 1 2.19 0.04 . 2 . . . . 299 GLN HB2 . 6971 1 1017 . 1 1 97 97 GLN HB3 H 1 1.87 0.04 . 2 . . . . 299 GLN HB3 . 6971 1 1018 . 1 1 97 97 GLN HG2 H 1 2.62 0.04 . 1 . . . . 299 GLN HG2 . 6971 1 1019 . 1 1 97 97 GLN HG3 H 1 2.62 0.04 . 1 . . . . 299 GLN HG3 . 6971 1 1020 . 1 1 97 97 GLN HE21 H 1 8.03 0.04 . 2 . . . . 299 GLN HE21 . 6971 1 1021 . 1 1 97 97 GLN HE22 H 1 7.91 0.04 . 2 . . . . 299 GLN HE22 . 6971 1 1022 . 1 1 97 97 GLN C C 13 177.1 0.5 . 1 . . . . 299 GLN C . 6971 1 1023 . 1 1 97 97 GLN CA C 13 57.7 0.5 . 1 . . . . 299 GLN CA . 6971 1 1024 . 1 1 97 97 GLN CB C 13 30.0 0.5 . 1 . . . . 299 GLN CB . 6971 1 1025 . 1 1 97 97 GLN CG C 13 37.9 0.5 . 1 . . . . 299 GLN CG . 6971 1 1026 . 1 1 97 97 GLN N N 15 126.1 0.5 . 1 . . . . 299 GLN N . 6971 1 1027 . 1 1 97 97 GLN NE2 N 15 118.9 0.5 . 1 . . . . 299 GLN NE2 . 6971 1 1028 . 1 1 98 98 GLU H H 1 8.67 0.04 . 1 . . . . 300 GLU H . 6971 1 1029 . 1 1 98 98 GLU HA H 1 4.22 0.04 . 1 . . . . 300 GLU HA . 6971 1 1030 . 1 1 98 98 GLU HB2 H 1 2.13 0.04 . 2 . . . . 300 GLU HB2 . 6971 1 1031 . 1 1 98 98 GLU HB3 H 1 1.88 0.04 . 2 . . . . 300 GLU HB3 . 6971 1 1032 . 1 1 98 98 GLU HG2 H 1 2.29 0.04 . 2 . . . . 300 GLU HG2 . 6971 1 1033 . 1 1 98 98 GLU HG3 H 1 2.13 0.04 . 2 . . . . 300 GLU HG3 . 6971 1 1034 . 1 1 98 98 GLU C C 13 176.9 0.5 . 1 . . . . 300 GLU C . 6971 1 1035 . 1 1 98 98 GLU CA C 13 56.3 0.5 . 1 . . . . 300 GLU CA . 6971 1 1036 . 1 1 98 98 GLU CB C 13 29.2 0.5 . 1 . . . . 300 GLU CB . 6971 1 1037 . 1 1 98 98 GLU CG C 13 36.5 0.5 . 1 . . . . 300 GLU CG . 6971 1 1038 . 1 1 98 98 GLU N N 15 118.4 0.5 . 1 . . . . 300 GLU N . 6971 1 1039 . 1 1 99 99 LYS H H 1 7.54 0.04 . 1 . . . . 301 LYS H . 6971 1 1040 . 1 1 99 99 LYS HA H 1 4.39 0.04 . 1 . . . . 301 LYS HA . 6971 1 1041 . 1 1 99 99 LYS HB2 H 1 1.77 0.04 . 2 . . . . 301 LYS HB2 . 6971 1 1042 . 1 1 99 99 LYS HB3 H 1 1.71 0.04 . 2 . . . . 301 LYS HB3 . 6971 1 1043 . 1 1 99 99 LYS HG2 H 1 1.20 0.04 . 1 . . . . 301 LYS HG2 . 6971 1 1044 . 1 1 99 99 LYS HE2 H 1 2.93 0.04 . 1 . . . . 301 LYS HE2 . 6971 1 1045 . 1 1 99 99 LYS HE3 H 1 2.93 0.04 . 1 . . . . 301 LYS HE3 . 6971 1 1046 . 1 1 99 99 LYS C C 13 175.6 0.5 . 1 . . . . 301 LYS C . 6971 1 1047 . 1 1 99 99 LYS CA C 13 55.0 0.5 . 1 . . . . 301 LYS CA . 6971 1 1048 . 1 1 99 99 LYS CB C 13 34.4 0.5 . 1 . . . . 301 LYS CB . 6971 1 1049 . 1 1 99 99 LYS CG C 13 25.6 0.5 . 1 . . . . 301 LYS CG . 6971 1 1050 . 1 1 99 99 LYS N N 15 120.4 0.5 . 1 . . . . 301 LYS N . 6971 1 1051 . 1 1 100 100 GLU H H 1 8.11 0.04 . 1 . . . . 302 GLU H . 6971 1 1052 . 1 1 100 100 GLU HA H 1 4.24 0.04 . 1 . . . . 302 GLU HA . 6971 1 1053 . 1 1 100 100 GLU HG2 H 1 2.35 0.04 . 2 . . . . 302 GLU HG2 . 6971 1 1054 . 1 1 100 100 GLU HG3 H 1 2.18 0.04 . 2 . . . . 302 GLU HG3 . 6971 1 1055 . 1 1 100 100 GLU C C 13 176.9 0.5 . 1 . . . . 302 GLU C . 6971 1 1056 . 1 1 100 100 GLU CA C 13 56.0 0.5 . 1 . . . . 302 GLU CA . 6971 1 1057 . 1 1 100 100 GLU CB C 13 30.5 0.5 . 1 . . . . 302 GLU CB . 6971 1 1058 . 1 1 100 100 GLU CG C 13 36.1 0.5 . 1 . . . . 302 GLU CG . 6971 1 1059 . 1 1 100 100 GLU N N 15 121.0 0.5 . 1 . . . . 302 GLU N . 6971 1 1060 . 1 1 101 101 ILE H H 1 8.96 0.04 . 1 . . . . 303 ILE H . 6971 1 1061 . 1 1 101 101 ILE HA H 1 3.60 0.04 . 1 . . . . 303 ILE HA . 6971 1 1062 . 1 1 101 101 ILE HB H 1 1.87 0.04 . 1 . . . . 303 ILE HB . 6971 1 1063 . 1 1 101 101 ILE HG12 H 1 1.90 0.04 . 2 . . . . 303 ILE HG12 . 6971 1 1064 . 1 1 101 101 ILE HG13 H 1 0.87 0.04 . 2 . . . . 303 ILE HG13 . 6971 1 1065 . 1 1 101 101 ILE HG21 H 1 0.58 0.04 . 1 . . . . 303 ILE HG2 . 6971 1 1066 . 1 1 101 101 ILE HG22 H 1 0.58 0.04 . 1 . . . . 303 ILE HG2 . 6971 1 1067 . 1 1 101 101 ILE HG23 H 1 0.58 0.04 . 1 . . . . 303 ILE HG2 . 6971 1 1068 . 1 1 101 101 ILE HD11 H 1 0.85 0.04 . 1 . . . . 303 ILE HD1 . 6971 1 1069 . 1 1 101 101 ILE HD12 H 1 0.85 0.04 . 1 . . . . 303 ILE HD1 . 6971 1 1070 . 1 1 101 101 ILE HD13 H 1 0.85 0.04 . 1 . . . . 303 ILE HD1 . 6971 1 1071 . 1 1 101 101 ILE C C 13 174.2 0.5 . 1 . . . . 303 ILE C . 6971 1 1072 . 1 1 101 101 ILE CA C 13 62.6 0.5 . 1 . . . . 303 ILE CA . 6971 1 1073 . 1 1 101 101 ILE CB C 13 36.3 0.5 . 1 . . . . 303 ILE CB . 6971 1 1074 . 1 1 101 101 ILE CG1 C 13 28.2 0.5 . 1 . . . . 303 ILE CG1 . 6971 1 1075 . 1 1 101 101 ILE CG2 C 13 17.3 0.5 . 1 . . . . 303 ILE CG2 . 6971 1 1076 . 1 1 101 101 ILE CD1 C 13 13.6 0.5 . 1 . . . . 303 ILE CD1 . 6971 1 1077 . 1 1 101 101 ILE N N 15 125.4 0.5 . 1 . . . . 303 ILE N . 6971 1 1078 . 1 1 102 102 THR H H 1 6.68 0.04 . 1 . . . . 304 THR H . 6971 1 1079 . 1 1 102 102 THR HA H 1 4.56 0.04 . 1 . . . . 304 THR HA . 6971 1 1080 . 1 1 102 102 THR HB H 1 4.64 0.04 . 1 . . . . 304 THR HB . 6971 1 1081 . 1 1 102 102 THR HG21 H 1 1.17 0.04 . 1 . . . . 304 THR HG2 . 6971 1 1082 . 1 1 102 102 THR HG22 H 1 1.17 0.04 . 1 . . . . 304 THR HG2 . 6971 1 1083 . 1 1 102 102 THR HG23 H 1 1.17 0.04 . 1 . . . . 304 THR HG2 . 6971 1 1084 . 1 1 102 102 THR C C 13 173.7 0.5 . 1 . . . . 304 THR C . 6971 1 1085 . 1 1 102 102 THR CA C 13 58.0 0.5 . 1 . . . . 304 THR CA . 6971 1 1086 . 1 1 102 102 THR CB C 13 72.2 0.5 . 1 . . . . 304 THR CB . 6971 1 1087 . 1 1 102 102 THR CG2 C 13 21.9 0.5 . 1 . . . . 304 THR CG2 . 6971 1 1088 . 1 1 102 102 THR N N 15 117.3 0.5 . 1 . . . . 304 THR N . 6971 1 1089 . 1 1 103 103 PHE H H 1 9.32 0.04 . 1 . . . . 305 PHE H . 6971 1 1090 . 1 1 103 103 PHE HA H 1 3.77 0.04 . 1 . . . . 305 PHE HA . 6971 1 1091 . 1 1 103 103 PHE HB2 H 1 3.21 0.04 . 2 . . . . 305 PHE HB2 . 6971 1 1092 . 1 1 103 103 PHE HB3 H 1 3.00 0.04 . 2 . . . . 305 PHE HB3 . 6971 1 1093 . 1 1 103 103 PHE HD1 H 1 7.25 0.04 . 1 . . . . 305 PHE HD1 . 6971 1 1094 . 1 1 103 103 PHE HD2 H 1 7.25 0.04 . 1 . . . . 305 PHE HD2 . 6971 1 1095 . 1 1 103 103 PHE HE1 H 1 7.42 0.04 . 1 . . . . 305 PHE HE1 . 6971 1 1096 . 1 1 103 103 PHE HE2 H 1 7.42 0.04 . 1 . . . . 305 PHE HE2 . 6971 1 1097 . 1 1 103 103 PHE HZ H 1 7.36 0.04 . 1 . . . . 305 PHE HZ . 6971 1 1098 . 1 1 103 103 PHE C C 13 175.9 0.5 . 1 . . . . 305 PHE C . 6971 1 1099 . 1 1 103 103 PHE CA C 13 62.2 0.5 . 1 . . . . 305 PHE CA . 6971 1 1100 . 1 1 103 103 PHE CB C 13 39.0 0.5 . 1 . . . . 305 PHE CB . 6971 1 1101 . 1 1 103 103 PHE N N 15 122.6 0.5 . 1 . . . . 305 PHE N . 6971 1 1102 . 1 1 104 104 GLU H H 1 9.16 0.04 . 1 . . . . 306 GLU H . 6971 1 1103 . 1 1 104 104 GLU HA H 1 3.57 0.04 . 1 . . . . 306 GLU HA . 6971 1 1104 . 1 1 104 104 GLU HB2 H 1 2.06 0.04 . 2 . . . . 306 GLU HB2 . 6971 1 1105 . 1 1 104 104 GLU HB3 H 1 1.98 0.04 . 2 . . . . 306 GLU HB3 . 6971 1 1106 . 1 1 104 104 GLU HG2 H 1 2.54 0.04 . 2 . . . . 306 GLU HG2 . 6971 1 1107 . 1 1 104 104 GLU HG3 H 1 2.42 0.04 . 2 . . . . 306 GLU HG3 . 6971 1 1108 . 1 1 104 104 GLU C C 13 179.4 0.5 . 1 . . . . 306 GLU C . 6971 1 1109 . 1 1 104 104 GLU CA C 13 60.4 0.5 . 1 . . . . 306 GLU CA . 6971 1 1110 . 1 1 104 104 GLU CB C 13 29.0 0.5 . 1 . . . . 306 GLU CB . 6971 1 1111 . 1 1 104 104 GLU CG C 13 37.1 0.5 . 1 . . . . 306 GLU CG . 6971 1 1112 . 1 1 104 104 GLU N N 15 117.2 0.5 . 1 . . . . 306 GLU N . 6971 1 1113 . 1 1 105 105 ALA H H 1 7.97 0.04 . 1 . . . . 307 ALA H . 6971 1 1114 . 1 1 105 105 ALA HA H 1 4.25 0.04 . 1 . . . . 307 ALA HA . 6971 1 1115 . 1 1 105 105 ALA HB1 H 1 1.60 0.04 . 1 . . . . 307 ALA HB . 6971 1 1116 . 1 1 105 105 ALA HB2 H 1 1.60 0.04 . 1 . . . . 307 ALA HB . 6971 1 1117 . 1 1 105 105 ALA HB3 H 1 1.60 0.04 . 1 . . . . 307 ALA HB . 6971 1 1118 . 1 1 105 105 ALA C C 13 181.0 0.5 . 1 . . . . 307 ALA C . 6971 1 1119 . 1 1 105 105 ALA CA C 13 54.6 0.5 . 1 . . . . 307 ALA CA . 6971 1 1120 . 1 1 105 105 ALA CB C 13 19.7 0.5 . 1 . . . . 307 ALA CB . 6971 1 1121 . 1 1 105 105 ALA N N 15 121.9 0.5 . 1 . . . . 307 ALA N . 6971 1 1122 . 1 1 106 106 ILE H H 1 7.94 0.04 . 1 . . . . 308 ILE H . 6971 1 1123 . 1 1 106 106 ILE HA H 1 3.51 0.04 . 1 . . . . 308 ILE HA . 6971 1 1124 . 1 1 106 106 ILE HB H 1 1.63 0.04 . 1 . . . . 308 ILE HB . 6971 1 1125 . 1 1 106 106 ILE HG12 H 1 1.28 0.04 . 2 . . . . 308 ILE HG12 . 6971 1 1126 . 1 1 106 106 ILE HG13 H 1 0.40 0.04 . 2 . . . . 308 ILE HG13 . 6971 1 1127 . 1 1 106 106 ILE HG21 H 1 0.20 0.04 . 1 . . . . 308 ILE HG2 . 6971 1 1128 . 1 1 106 106 ILE HG22 H 1 0.20 0.04 . 1 . . . . 308 ILE HG2 . 6971 1 1129 . 1 1 106 106 ILE HG23 H 1 0.20 0.04 . 1 . . . . 308 ILE HG2 . 6971 1 1130 . 1 1 106 106 ILE HD11 H 1 -0.95 0.04 . 1 . . . . 308 ILE HD1 . 6971 1 1131 . 1 1 106 106 ILE HD12 H 1 -0.95 0.04 . 1 . . . . 308 ILE HD1 . 6971 1 1132 . 1 1 106 106 ILE HD13 H 1 -0.95 0.04 . 1 . . . . 308 ILE HD1 . 6971 1 1133 . 1 1 106 106 ILE C C 13 177.3 0.5 . 1 . . . . 308 ILE C . 6971 1 1134 . 1 1 106 106 ILE CA C 13 60.3 0.5 . 1 . . . . 308 ILE CA . 6971 1 1135 . 1 1 106 106 ILE CB C 13 33.5 0.5 . 1 . . . . 308 ILE CB . 6971 1 1136 . 1 1 106 106 ILE CG1 C 13 27.4 0.5 . 1 . . . . 308 ILE CG1 . 6971 1 1137 . 1 1 106 106 ILE CG2 C 13 18.1 0.5 . 1 . . . . 308 ILE CG2 . 6971 1 1138 . 1 1 106 106 ILE CD1 C 13 5.0 0.5 . 1 . . . . 308 ILE CD1 . 6971 1 1139 . 1 1 106 106 ILE N N 15 118.6 0.5 . 1 . . . . 308 ILE N . 6971 1 1140 . 1 1 107 107 LYS H H 1 8.61 0.04 . 1 . . . . 309 LYS H . 6971 1 1141 . 1 1 107 107 LYS HA H 1 3.49 0.04 . 1 . . . . 309 LYS HA . 6971 1 1142 . 1 1 107 107 LYS HB2 H 1 1.45 0.04 . 2 . . . . 309 LYS HB2 . 6971 1 1143 . 1 1 107 107 LYS HB3 H 1 1.05 0.04 . 2 . . . . 309 LYS HB3 . 6971 1 1144 . 1 1 107 107 LYS HG2 H 1 1.22 0.04 . 1 . . . . 309 LYS HG2 . 6971 1 1145 . 1 1 107 107 LYS HG3 H 1 1.22 0.04 . 1 . . . . 309 LYS HG3 . 6971 1 1146 . 1 1 107 107 LYS HD2 H 1 1.54 0.04 . 1 . . . . 309 LYS HD2 . 6971 1 1147 . 1 1 107 107 LYS HD3 H 1 1.54 0.04 . 1 . . . . 309 LYS HD3 . 6971 1 1148 . 1 1 107 107 LYS HE2 H 1 3.00 0.04 . 1 . . . . 309 LYS HE2 . 6971 1 1149 . 1 1 107 107 LYS HE3 H 1 3.00 0.04 . 1 . . . . 309 LYS HE3 . 6971 1 1150 . 1 1 107 107 LYS C C 13 177.9 0.5 . 1 . . . . 309 LYS C . 6971 1 1151 . 1 1 107 107 LYS CA C 13 60.9 0.5 . 1 . . . . 309 LYS CA . 6971 1 1152 . 1 1 107 107 LYS CB C 13 31.7 0.5 . 1 . . . . 309 LYS CB . 6971 1 1153 . 1 1 107 107 LYS CG C 13 24.9 0.5 . 1 . . . . 309 LYS CG . 6971 1 1154 . 1 1 107 107 LYS N N 15 123.7 0.5 . 1 . . . . 309 LYS N . 6971 1 1155 . 1 1 108 108 ALA H H 1 7.27 0.04 . 1 . . . . 310 ALA H . 6971 1 1156 . 1 1 108 108 ALA HA H 1 4.15 0.04 . 1 . . . . 310 ALA HA . 6971 1 1157 . 1 1 108 108 ALA HB1 H 1 1.54 0.04 . 1 . . . . 310 ALA HB . 6971 1 1158 . 1 1 108 108 ALA HB2 H 1 1.54 0.04 . 1 . . . . 310 ALA HB . 6971 1 1159 . 1 1 108 108 ALA HB3 H 1 1.54 0.04 . 1 . . . . 310 ALA HB . 6971 1 1160 . 1 1 108 108 ALA C C 13 178.9 0.5 . 1 . . . . 310 ALA C . 6971 1 1161 . 1 1 108 108 ALA CA C 13 55.0 0.5 . 1 . . . . 310 ALA CA . 6971 1 1162 . 1 1 108 108 ALA CB C 13 18.2 0.5 . 1 . . . . 310 ALA CB . 6971 1 1163 . 1 1 108 108 ALA N N 15 119.0 0.5 . 1 . . . . 310 ALA N . 6971 1 1164 . 1 1 109 109 PHE H H 1 7.69 0.04 . 1 . . . . 311 PHE H . 6971 1 1165 . 1 1 109 109 PHE HA H 1 4.51 0.04 . 1 . . . . 311 PHE HA . 6971 1 1166 . 1 1 109 109 PHE HB2 H 1 3.48 0.04 . 2 . . . . 311 PHE HB2 . 6971 1 1167 . 1 1 109 109 PHE HB3 H 1 3.14 0.04 . 2 . . . . 311 PHE HB3 . 6971 1 1168 . 1 1 109 109 PHE HD1 H 1 7.42 0.04 . 1 . . . . 311 PHE HD1 . 6971 1 1169 . 1 1 109 109 PHE HD2 H 1 7.42 0.04 . 1 . . . . 311 PHE HD2 . 6971 1 1170 . 1 1 109 109 PHE HE1 H 1 7.50 0.04 . 1 . . . . 311 PHE HE1 . 6971 1 1171 . 1 1 109 109 PHE HE2 H 1 7.50 0.04 . 1 . . . . 311 PHE HE2 . 6971 1 1172 . 1 1 109 109 PHE HZ H 1 7.32 0.04 . 1 . . . . 311 PHE HZ . 6971 1 1173 . 1 1 109 109 PHE C C 13 177.2 0.5 . 1 . . . . 311 PHE C . 6971 1 1174 . 1 1 109 109 PHE CA C 13 61.3 0.5 . 1 . . . . 311 PHE CA . 6971 1 1175 . 1 1 109 109 PHE CB C 13 40.7 0.5 . 1 . . . . 311 PHE CB . 6971 1 1176 . 1 1 109 109 PHE N N 15 120.1 0.5 . 1 . . . . 311 PHE N . 6971 1 1177 . 1 1 110 110 VAL H H 1 9.06 0.04 . 1 . . . . 312 VAL H . 6971 1 1178 . 1 1 110 110 VAL HA H 1 3.43 0.04 . 1 . . . . 312 VAL HA . 6971 1 1179 . 1 1 110 110 VAL HB H 1 2.29 0.04 . 1 . . . . 312 VAL HB . 6971 1 1180 . 1 1 110 110 VAL HG11 H 1 1.23 0.04 . 2 . . . . 312 VAL HG1 . 6971 1 1181 . 1 1 110 110 VAL HG12 H 1 1.23 0.04 . 2 . . . . 312 VAL HG1 . 6971 1 1182 . 1 1 110 110 VAL HG13 H 1 1.23 0.04 . 2 . . . . 312 VAL HG1 . 6971 1 1183 . 1 1 110 110 VAL HG21 H 1 1.01 0.04 . 2 . . . . 312 VAL HG2 . 6971 1 1184 . 1 1 110 110 VAL HG22 H 1 1.01 0.04 . 2 . . . . 312 VAL HG2 . 6971 1 1185 . 1 1 110 110 VAL HG23 H 1 1.01 0.04 . 2 . . . . 312 VAL HG2 . 6971 1 1186 . 1 1 110 110 VAL C C 13 177.5 0.5 . 1 . . . . 312 VAL C . 6971 1 1187 . 1 1 110 110 VAL CA C 13 67.0 0.5 . 1 . . . . 312 VAL CA . 6971 1 1188 . 1 1 110 110 VAL CB C 13 31.2 0.5 . 1 . . . . 312 VAL CB . 6971 1 1189 . 1 1 110 110 VAL CG1 C 13 24.7 0.5 . 2 . . . . 312 VAL CG1 . 6971 1 1190 . 1 1 110 110 VAL CG2 C 13 22.4 0.5 . 2 . . . . 312 VAL CG2 . 6971 1 1191 . 1 1 110 110 VAL N N 15 119.5 0.5 . 1 . . . . 312 VAL N . 6971 1 1192 . 1 1 111 111 ASP H H 1 8.64 0.04 . 1 . . . . 313 ASP H . 6971 1 1193 . 1 1 111 111 ASP HA H 1 4.32 0.04 . 1 . . . . 313 ASP HA . 6971 1 1194 . 1 1 111 111 ASP HB2 H 1 2.85 0.04 . 2 . . . . 313 ASP HB2 . 6971 1 1195 . 1 1 111 111 ASP HB3 H 1 2.57 0.04 . 2 . . . . 313 ASP HB3 . 6971 1 1196 . 1 1 111 111 ASP C C 13 180.0 0.5 . 1 . . . . 313 ASP C . 6971 1 1197 . 1 1 111 111 ASP CA C 13 57.5 0.5 . 1 . . . . 313 ASP CA . 6971 1 1198 . 1 1 111 111 ASP CB C 13 39.6 0.5 . 1 . . . . 313 ASP CB . 6971 1 1199 . 1 1 111 111 ASP N N 15 121.1 0.5 . 1 . . . . 313 ASP N . 6971 1 1200 . 1 1 112 112 ASP H H 1 8.20 0.04 . 1 . . . . 314 ASP H . 6971 1 1201 . 1 1 112 112 ASP HA H 1 4.29 0.04 . 1 . . . . 314 ASP HA . 6971 1 1202 . 1 1 112 112 ASP HB2 H 1 2.96 0.04 . 2 . . . . 314 ASP HB2 . 6971 1 1203 . 1 1 112 112 ASP HB3 H 1 2.32 0.04 . 2 . . . . 314 ASP HB3 . 6971 1 1204 . 1 1 112 112 ASP CA C 13 57.4 0.5 . 1 . . . . 314 ASP CA . 6971 1 1205 . 1 1 112 112 ASP CB C 13 39.5 0.5 . 1 . . . . 314 ASP CB . 6971 1 1206 . 1 1 112 112 ASP N N 15 122.6 0.5 . 1 . . . . 314 ASP N . 6971 1 1207 . 1 1 113 113 PHE H H 1 8.41 0.04 . 1 . . . . 315 PHE H . 6971 1 1208 . 1 1 113 113 PHE HA H 1 3.87 0.04 . 1 . . . . 315 PHE HA . 6971 1 1209 . 1 1 113 113 PHE HB2 H 1 3.07 0.04 . 2 . . . . 315 PHE HB2 . 6971 1 1210 . 1 1 113 113 PHE HB3 H 1 2.52 0.04 . 2 . . . . 315 PHE HB3 . 6971 1 1211 . 1 1 113 113 PHE HD1 H 1 6.40 0.04 . 1 . . . . 315 PHE HD1 . 6971 1 1212 . 1 1 113 113 PHE HD2 H 1 6.40 0.04 . 1 . . . . 315 PHE HD2 . 6971 1 1213 . 1 1 113 113 PHE HE1 H 1 6.92 0.04 . 1 . . . . 315 PHE HE1 . 6971 1 1214 . 1 1 113 113 PHE HE2 H 1 6.92 0.04 . 1 . . . . 315 PHE HE2 . 6971 1 1215 . 1 1 113 113 PHE HZ H 1 6.65 0.04 . 1 . . . . 315 PHE HZ . 6971 1 1216 . 1 1 113 113 PHE C C 13 179.2 0.5 . 1 . . . . 315 PHE C . 6971 1 1217 . 1 1 113 113 PHE CA C 13 60.9 0.5 . 1 . . . . 315 PHE CA . 6971 1 1218 . 1 1 113 113 PHE CB C 13 38.3 0.5 . 1 . . . . 315 PHE CB . 6971 1 1219 . 1 1 113 113 PHE N N 15 123.3 0.5 . 1 . . . . 315 PHE N . 6971 1 1220 . 1 1 114 114 VAL H H 1 8.84 0.04 . 1 . . . . 316 VAL H . 6971 1 1221 . 1 1 114 114 VAL HA H 1 3.19 0.04 . 1 . . . . 316 VAL HA . 6971 1 1222 . 1 1 114 114 VAL HB H 1 2.17 0.04 . 1 . . . . 316 VAL HB . 6971 1 1223 . 1 1 114 114 VAL HG11 H 1 1.15 0.04 . 2 . . . . 316 VAL HG1 . 6971 1 1224 . 1 1 114 114 VAL HG12 H 1 1.15 0.04 . 2 . . . . 316 VAL HG1 . 6971 1 1225 . 1 1 114 114 VAL HG13 H 1 1.15 0.04 . 2 . . . . 316 VAL HG1 . 6971 1 1226 . 1 1 114 114 VAL HG21 H 1 0.98 0.04 . 2 . . . . 316 VAL HG2 . 6971 1 1227 . 1 1 114 114 VAL HG22 H 1 0.98 0.04 . 2 . . . . 316 VAL HG2 . 6971 1 1228 . 1 1 114 114 VAL HG23 H 1 0.98 0.04 . 2 . . . . 316 VAL HG2 . 6971 1 1229 . 1 1 114 114 VAL C C 13 177.4 0.5 . 1 . . . . 316 VAL C . 6971 1 1230 . 1 1 114 114 VAL CA C 13 65.9 0.5 . 1 . . . . 316 VAL CA . 6971 1 1231 . 1 1 114 114 VAL CB C 13 31.8 0.5 . 1 . . . . 316 VAL CB . 6971 1 1232 . 1 1 114 114 VAL CG1 C 13 22.9 0.5 . 2 . . . . 316 VAL CG1 . 6971 1 1233 . 1 1 114 114 VAL CG2 C 13 21.4 0.5 . 2 . . . . 316 VAL CG2 . 6971 1 1234 . 1 1 114 114 VAL N N 15 122.6 0.5 . 1 . . . . 316 VAL N . 6971 1 1235 . 1 1 115 115 ALA H H 1 7.56 0.04 . 1 . . . . 317 ALA H . 6971 1 1236 . 1 1 115 115 ALA HA H 1 4.27 0.04 . 1 . . . . 317 ALA HA . 6971 1 1237 . 1 1 115 115 ALA HB1 H 1 1.48 0.04 . 1 . . . . 317 ALA HB . 6971 1 1238 . 1 1 115 115 ALA HB2 H 1 1.48 0.04 . 1 . . . . 317 ALA HB . 6971 1 1239 . 1 1 115 115 ALA HB3 H 1 1.48 0.04 . 1 . . . . 317 ALA HB . 6971 1 1240 . 1 1 115 115 ALA CA C 13 52.2 0.5 . 1 . . . . 317 ALA CA . 6971 1 1241 . 1 1 115 115 ALA CB C 13 19.5 0.5 . 1 . . . . 317 ALA CB . 6971 1 1242 . 1 1 115 115 ALA N N 15 119.8 0.5 . 1 . . . . 317 ALA N . 6971 1 1243 . 1 1 116 116 GLY H H 1 7.61 0.04 . 1 . . . . 318 GLY H . 6971 1 1244 . 1 1 116 116 GLY HA2 H 1 3.86 0.04 . 2 . . . . 318 GLY HA2 . 6971 1 1245 . 1 1 116 116 GLY HA3 H 1 3.91 0.04 . 2 . . . . 318 GLY HA3 . 6971 1 1246 . 1 1 116 116 GLY C C 13 176.0 0.5 . 1 . . . . 318 GLY C . 6971 1 1247 . 1 1 116 116 GLY CA C 13 46.3 0.5 . 1 . . . . 318 GLY CA . 6971 1 1248 . 1 1 116 116 GLY N N 15 108.3 0.5 . 1 . . . . 318 GLY N . 6971 1 1249 . 1 1 117 117 LYS H H 1 8.11 0.04 . 1 . . . . 319 LYS H . 6971 1 1250 . 1 1 117 117 LYS HA H 1 4.22 0.04 . 1 . . . . 319 LYS HA . 6971 1 1251 . 1 1 117 117 LYS HB2 H 1 1.98 0.04 . 2 . . . . 319 LYS HB2 . 6971 1 1252 . 1 1 117 117 LYS HB3 H 1 1.47 0.04 . 2 . . . . 319 LYS HB3 . 6971 1 1253 . 1 1 117 117 LYS HG2 H 1 1.34 0.04 . 2 . . . . 319 LYS HG2 . 6971 1 1254 . 1 1 117 117 LYS HG3 H 1 1.30 0.04 . 2 . . . . 319 LYS HG3 . 6971 1 1255 . 1 1 117 117 LYS HE2 H 1 2.94 0.04 . 1 . . . . 319 LYS HE2 . 6971 1 1256 . 1 1 117 117 LYS HE3 H 1 2.94 0.04 . 1 . . . . 319 LYS HE3 . 6971 1 1257 . 1 1 117 117 LYS C C 13 176.1 0.5 . 1 . . . . 319 LYS C . 6971 1 1258 . 1 1 117 117 LYS CA C 13 56.1 0.5 . 1 . . . . 319 LYS CA . 6971 1 1259 . 1 1 117 117 LYS CB C 13 33.5 0.5 . 1 . . . . 319 LYS CB . 6971 1 1260 . 1 1 117 117 LYS CG C 13 25.2 0.5 . 1 . . . . 319 LYS CG . 6971 1 1261 . 1 1 117 117 LYS N N 15 117.5 0.5 . 1 . . . . 319 LYS N . 6971 1 1262 . 1 1 118 118 ILE H H 1 7.60 0.04 . 1 . . . . 320 ILE H . 6971 1 1263 . 1 1 118 118 ILE HA H 1 4.36 0.04 . 1 . . . . 320 ILE HA . 6971 1 1264 . 1 1 118 118 ILE HB H 1 1.83 0.04 . 1 . . . . 320 ILE HB . 6971 1 1265 . 1 1 118 118 ILE HG12 H 1 1.21 0.04 . 2 . . . . 320 ILE HG12 . 6971 1 1266 . 1 1 118 118 ILE HG13 H 1 0.90 0.04 . 2 . . . . 320 ILE HG13 . 6971 1 1267 . 1 1 118 118 ILE HG21 H 1 1.15 0.04 . 1 . . . . 320 ILE HG2 . 6971 1 1268 . 1 1 118 118 ILE HG22 H 1 1.15 0.04 . 1 . . . . 320 ILE HG2 . 6971 1 1269 . 1 1 118 118 ILE HG23 H 1 1.15 0.04 . 1 . . . . 320 ILE HG2 . 6971 1 1270 . 1 1 118 118 ILE HD11 H 1 0.62 0.04 . 1 . . . . 320 ILE HD1 . 6971 1 1271 . 1 1 118 118 ILE HD12 H 1 0.62 0.04 . 1 . . . . 320 ILE HD1 . 6971 1 1272 . 1 1 118 118 ILE HD13 H 1 0.62 0.04 . 1 . . . . 320 ILE HD1 . 6971 1 1273 . 1 1 118 118 ILE C C 13 175.6 0.5 . 1 . . . . 320 ILE C . 6971 1 1274 . 1 1 118 118 ILE CA C 13 60.3 0.5 . 1 . . . . 320 ILE CA . 6971 1 1275 . 1 1 118 118 ILE CB C 13 39.4 0.5 . 1 . . . . 320 ILE CB . 6971 1 1276 . 1 1 118 118 ILE CG1 C 13 26.7 0.5 . 1 . . . . 320 ILE CG1 . 6971 1 1277 . 1 1 118 118 ILE CG2 C 13 18.3 0.5 . 1 . . . . 320 ILE CG2 . 6971 1 1278 . 1 1 118 118 ILE CD1 C 13 13.4 0.5 . 1 . . . . 320 ILE CD1 . 6971 1 1279 . 1 1 118 118 ILE N N 15 118.5 0.5 . 1 . . . . 320 ILE N . 6971 1 1280 . 1 1 119 119 GLU H H 1 8.61 0.04 . 1 . . . . 321 GLU H . 6971 1 1281 . 1 1 119 119 GLU HA H 1 4.72 0.04 . 1 . . . . 321 GLU HA . 6971 1 1282 . 1 1 119 119 GLU HB2 H 1 2.10 0.04 . 2 . . . . 321 GLU HB2 . 6971 1 1283 . 1 1 119 119 GLU HB3 H 1 1.95 0.04 . 2 . . . . 321 GLU HB3 . 6971 1 1284 . 1 1 119 119 GLU HG2 H 1 2.37 0.04 . 2 . . . . 321 GLU HG2 . 6971 1 1285 . 1 1 119 119 GLU HG3 H 1 2.33 0.04 . 2 . . . . 321 GLU HG3 . 6971 1 1286 . 1 1 119 119 GLU C C 13 174.3 0.5 . 1 . . . . 321 GLU C . 6971 1 1287 . 1 1 119 119 GLU CA C 13 54.1 0.5 . 1 . . . . 321 GLU CA . 6971 1 1288 . 1 1 119 119 GLU CB C 13 29.8 0.5 . 1 . . . . 321 GLU CB . 6971 1 1289 . 1 1 119 119 GLU CG C 13 35.9 0.5 . 1 . . . . 321 GLU CG . 6971 1 1290 . 1 1 119 119 GLU N N 15 127.9 0.5 . 1 . . . . 321 GLU N . 6971 1 1291 . 1 1 120 120 PRO HA H 1 3.90 0.04 . 1 . . . . 322 PRO HA . 6971 1 1292 . 1 1 120 120 PRO HG2 H 1 1.95 0.04 . 1 . . . . 322 PRO HG2 . 6971 1 1293 . 1 1 120 120 PRO HG3 H 1 1.95 0.04 . 1 . . . . 322 PRO HG3 . 6971 1 1294 . 1 1 120 120 PRO HD2 H 1 3.91 0.04 . 2 . . . . 322 PRO HD2 . 6971 1 1295 . 1 1 120 120 PRO HD3 H 1 3.78 0.04 . 2 . . . . 322 PRO HD3 . 6971 1 1296 . 1 1 120 120 PRO C C 13 176.5 0.5 . 1 . . . . 322 PRO C . 6971 1 1297 . 1 1 120 120 PRO CA C 13 62.7 0.5 . 1 . . . . 322 PRO CA . 6971 1 1298 . 1 1 120 120 PRO CB C 13 31.9 0.5 . 1 . . . . 322 PRO CB . 6971 1 1299 . 1 1 120 120 PRO CD C 13 50.5 0.5 . 1 . . . . 322 PRO CD . 6971 1 1300 . 1 1 121 121 SER H H 1 8.02 0.04 . 1 . . . . 323 SER H . 6971 1 1301 . 1 1 121 121 SER HA H 1 4.43 0.04 . 1 . . . . 323 SER HA . 6971 1 1302 . 1 1 121 121 SER HB2 H 1 3.87 0.04 . 2 . . . . 323 SER HB2 . 6971 1 1303 . 1 1 121 121 SER HB3 H 1 3.79 0.04 . 2 . . . . 323 SER HB3 . 6971 1 1304 . 1 1 121 121 SER C C 13 174.6 0.5 . 1 . . . . 323 SER C . 6971 1 1305 . 1 1 121 121 SER CA C 13 58.6 0.5 . 1 . . . . 323 SER CA . 6971 1 1306 . 1 1 121 121 SER CB C 13 63.8 0.5 . 1 . . . . 323 SER CB . 6971 1 1307 . 1 1 121 121 SER N N 15 116.3 0.5 . 1 . . . . 323 SER N . 6971 1 1308 . 1 1 122 122 ILE H H 1 8.22 0.04 . 1 . . . . 324 ILE H . 6971 1 1309 . 1 1 122 122 ILE HA H 1 4.21 0.04 . 1 . . . . 324 ILE HA . 6971 1 1310 . 1 1 122 122 ILE HB H 1 1.85 0.04 . 1 . . . . 324 ILE HB . 6971 1 1311 . 1 1 122 122 ILE HG12 H 1 1.42 0.04 . 2 . . . . 324 ILE HG12 . 6971 1 1312 . 1 1 122 122 ILE HG13 H 1 1.16 0.04 . 2 . . . . 324 ILE HG13 . 6971 1 1313 . 1 1 122 122 ILE HD11 H 1 0.87 0.04 . 1 . . . . 324 ILE HD1 . 6971 1 1314 . 1 1 122 122 ILE HD12 H 1 0.87 0.04 . 1 . . . . 324 ILE HD1 . 6971 1 1315 . 1 1 122 122 ILE HD13 H 1 0.87 0.04 . 1 . . . . 324 ILE HD1 . 6971 1 1316 . 1 1 122 122 ILE C C 13 177.1 0.5 . 1 . . . . 324 ILE C . 6971 1 1317 . 1 1 122 122 ILE CA C 13 61.0 0.5 . 1 . . . . 324 ILE CA . 6971 1 1318 . 1 1 122 122 ILE CB C 13 39.6 0.5 . 1 . . . . 324 ILE CB . 6971 1 1319 . 1 1 122 122 ILE CG1 C 13 27.0 0.5 . 1 . . . . 324 ILE CG1 . 6971 1 1320 . 1 1 122 122 ILE CD1 C 13 12.8 0.5 . 1 . . . . 324 ILE CD1 . 6971 1 1321 . 1 1 122 122 ILE N N 15 124.1 0.5 . 1 . . . . 324 ILE N . 6971 1 1322 . 1 1 123 123 LYS H H 1 8.25 0.04 . 1 . . . . 325 LYS H . 6971 1 1323 . 1 1 123 123 LYS HA H 1 4.32 0.04 . 1 . . . . 325 LYS HA . 6971 1 1324 . 1 1 123 123 LYS HB2 H 1 1.85 0.04 . 2 . . . . 325 LYS HB2 . 6971 1 1325 . 1 1 123 123 LYS HB3 H 1 1.74 0.04 . 2 . . . . 325 LYS HB3 . 6971 1 1326 . 1 1 123 123 LYS HG2 H 1 1.23 0.04 . 1 . . . . 325 LYS HG2 . 6971 1 1327 . 1 1 123 123 LYS HG3 H 1 1.23 0.04 . 1 . . . . 325 LYS HG3 . 6971 1 1328 . 1 1 123 123 LYS C C 13 176.1 0.5 . 1 . . . . 325 LYS C . 6971 1 1329 . 1 1 123 123 LYS CA C 13 56.0 0.5 . 1 . . . . 325 LYS CA . 6971 1 1330 . 1 1 123 123 LYS CB C 13 33.0 0.5 . 1 . . . . 325 LYS CB . 6971 1 1331 . 1 1 123 123 LYS CG C 13 24.6 0.5 . 1 . . . . 325 LYS CG . 6971 1 1332 . 1 1 123 123 LYS N N 15 126.1 0.5 . 1 . . . . 325 LYS N . 6971 1 1333 . 1 1 124 124 SER H H 1 8.29 0.04 . 1 . . . . 326 SER H . 6971 1 1334 . 1 1 124 124 SER HA H 1 4.44 0.04 . 1 . . . . 326 SER HA . 6971 1 1335 . 1 1 124 124 SER HB2 H 1 3.87 0.04 . 2 . . . . 326 SER HB2 . 6971 1 1336 . 1 1 124 124 SER HB3 H 1 3.82 0.04 . 2 . . . . 326 SER HB3 . 6971 1 1337 . 1 1 124 124 SER C C 13 173.9 0.5 . 1 . . . . 326 SER C . 6971 1 1338 . 1 1 124 124 SER CA C 13 57.9 0.5 . 1 . . . . 326 SER CA . 6971 1 1339 . 1 1 124 124 SER CB C 13 63.3 0.5 . 1 . . . . 326 SER CB . 6971 1 1340 . 1 1 124 124 SER N N 15 119.1 0.5 . 1 . . . . 326 SER N . 6971 1 1341 . 1 1 125 125 GLU H H 1 8.31 0.04 . 1 . . . . 327 GLU H . 6971 1 1342 . 1 1 125 125 GLU HA H 1 4.62 0.04 . 1 . . . . 327 GLU HA . 6971 1 1343 . 1 1 125 125 GLU HB3 H 1 1.83 0.04 . 2 . . . . 327 GLU HB3 . 6971 1 1344 . 1 1 125 125 GLU C C 13 174.3 0.5 . 1 . . . . 327 GLU C . 6971 1 1345 . 1 1 125 125 GLU CA C 13 54.2 0.5 . 1 . . . . 327 GLU CA . 6971 1 1346 . 1 1 125 125 GLU CB C 13 29.9 0.5 . 1 . . . . 327 GLU CB . 6971 1 1347 . 1 1 125 125 GLU N N 15 124.7 0.5 . 1 . . . . 327 GLU N . 6971 1 1348 . 1 1 126 126 PRO HA H 1 4.43 0.04 . 1 . . . . 328 PRO HA . 6971 1 1349 . 1 1 126 126 PRO HB2 H 1 2.22 0.04 . 2 . . . . 328 PRO HB2 . 6971 1 1350 . 1 1 126 126 PRO HB3 H 1 1.83 0.04 . 2 . . . . 328 PRO HB3 . 6971 1 1351 . 1 1 126 126 PRO C C 13 176.5 0.5 . 1 . . . . 328 PRO C . 6971 1 1352 . 1 1 126 126 PRO CA C 13 62.9 0.5 . 1 . . . . 328 PRO CA . 6971 1 1353 . 1 1 126 126 PRO CB C 13 31.8 0.5 . 1 . . . . 328 PRO CB . 6971 1 1354 . 1 1 127 127 ILE H H 1 8.18 0.04 . 1 . . . . 329 ILE H . 6971 1 1355 . 1 1 127 127 ILE HA H 1 4.41 0.04 . 1 . . . . 329 ILE HA . 6971 1 1356 . 1 1 127 127 ILE HB H 1 1.85 0.04 . 1 . . . . 329 ILE HB . 6971 1 1357 . 1 1 127 127 ILE C C 13 174.9 0.5 . 1 . . . . 329 ILE C . 6971 1 1358 . 1 1 127 127 ILE CA C 13 58.5 0.5 . 1 . . . . 329 ILE CA . 6971 1 1359 . 1 1 127 127 ILE CB C 13 38.7 0.5 . 1 . . . . 329 ILE CB . 6971 1 1360 . 1 1 127 127 ILE N N 15 123.3 0.5 . 1 . . . . 329 ILE N . 6971 1 1361 . 1 1 128 128 PRO HA H 1 4.39 0.04 . 1 . . . . 330 PRO HA . 6971 1 1362 . 1 1 128 128 PRO HB2 H 1 2.27 0.04 . 2 . . . . 330 PRO HB2 . 6971 1 1363 . 1 1 128 128 PRO HB3 H 1 1.87 0.04 . 2 . . . . 330 PRO HB3 . 6971 1 1364 . 1 1 128 128 PRO HG2 H 1 1.99 0.04 . 1 . . . . 330 PRO HG2 . 6971 1 1365 . 1 1 128 128 PRO HG3 H 1 1.99 0.04 . 1 . . . . 330 PRO HG3 . 6971 1 1366 . 1 1 128 128 PRO HD2 H 1 3.87 0.04 . 2 . . . . 330 PRO HD2 . 6971 1 1367 . 1 1 128 128 PRO HD3 H 1 3.67 0.04 . 2 . . . . 330 PRO HD3 . 6971 1 1368 . 1 1 128 128 PRO C C 13 176.8 0.5 . 1 . . . . 330 PRO C . 6971 1 1369 . 1 1 128 128 PRO CA C 13 63.2 0.5 . 1 . . . . 330 PRO CA . 6971 1 1370 . 1 1 128 128 PRO CB C 13 32.2 0.5 . 1 . . . . 330 PRO CB . 6971 1 1371 . 1 1 128 128 PRO CG C 13 27.4 0.5 . 1 . . . . 330 PRO CG . 6971 1 1372 . 1 1 128 128 PRO CD C 13 51.1 0.5 . 1 . . . . 330 PRO CD . 6971 1 1373 . 1 1 129 129 GLU H H 1 8.39 0.04 . 1 . . . . 331 GLU H . 6971 1 1374 . 1 1 129 129 GLU HA H 1 4.22 0.04 . 1 . . . . 331 GLU HA . 6971 1 1375 . 1 1 129 129 GLU HB2 H 1 1.98 0.04 . 2 . . . . 331 GLU HB2 . 6971 1 1376 . 1 1 129 129 GLU HB3 H 1 1.90 0.04 . 2 . . . . 331 GLU HB3 . 6971 1 1377 . 1 1 129 129 GLU C C 13 176.6 0.5 . 1 . . . . 331 GLU C . 6971 1 1378 . 1 1 129 129 GLU CA C 13 56.7 0.5 . 1 . . . . 331 GLU CA . 6971 1 1379 . 1 1 129 129 GLU CB C 13 30.3 0.5 . 1 . . . . 331 GLU CB . 6971 1 1380 . 1 1 129 129 GLU N N 15 121.8 0.5 . 1 . . . . 331 GLU N . 6971 1 1381 . 1 1 130 130 LYS H H 1 8.22 0.04 . 1 . . . . 332 LYS H . 6971 1 1382 . 1 1 130 130 LYS HA H 1 4.44 0.04 . 1 . . . . 332 LYS HA . 6971 1 1383 . 1 1 130 130 LYS HB2 H 1 2.27 0.04 . 2 . . . . 332 LYS HB2 . 6971 1 1384 . 1 1 130 130 LYS HB3 H 1 1.95 0.04 . 2 . . . . 332 LYS HB3 . 6971 1 1385 . 1 1 130 130 LYS CA C 13 56.0 0.5 . 1 . . . . 332 LYS CA . 6971 1 1386 . 1 1 130 130 LYS CB C 13 33.0 0.5 . 1 . . . . 332 LYS CB . 6971 1 1387 . 1 1 130 130 LYS N N 15 122.6 0.5 . 1 . . . . 332 LYS N . 6971 1 1388 . 1 1 131 131 GLN H H 1 8.41 0.04 . 1 . . . . 333 GLN H . 6971 1 1389 . 1 1 131 131 GLN HA H 1 4.33 0.04 . 1 . . . . 333 GLN HA . 6971 1 1390 . 1 1 131 131 GLN HB2 H 1 2.92 0.04 . 2 . . . . 333 GLN HB2 . 6971 1 1391 . 1 1 131 131 GLN HB3 H 1 2.32 0.04 . 2 . . . . 333 GLN HB3 . 6971 1 1392 . 1 1 131 131 GLN HE21 H 1 6.75 0.04 . 2 . . . . 333 GLN HE21 . 6971 1 1393 . 1 1 131 131 GLN HE22 H 1 7.46 0.04 . 2 . . . . 333 GLN HE22 . 6971 1 1394 . 1 1 131 131 GLN C C 13 175.8 0.5 . 1 . . . . 333 GLN C . 6971 1 1395 . 1 1 131 131 GLN CA C 13 55.5 0.5 . 1 . . . . 333 GLN CA . 6971 1 1396 . 1 1 131 131 GLN CB C 13 29.6 0.5 . 1 . . . . 333 GLN CB . 6971 1 1397 . 1 1 131 131 GLN N N 15 122.9 0.5 . 1 . . . . 333 GLN N . 6971 1 1398 . 1 1 131 131 GLN NE2 N 15 112.9 0.5 . 1 . . . . 333 GLN NE2 . 6971 1 1399 . 1 1 132 132 GLU H H 1 8.46 0.04 . 1 . . . . 334 GLU H . 6971 1 1400 . 1 1 132 132 GLU HA H 1 4.33 0.04 . 1 . . . . 334 GLU HA . 6971 1 1401 . 1 1 132 132 GLU HB2 H 1 2.08 0.04 . 2 . . . . 334 GLU HB2 . 6971 1 1402 . 1 1 132 132 GLU HB3 H 1 1.93 0.04 . 2 . . . . 334 GLU HB3 . 6971 1 1403 . 1 1 132 132 GLU C C 13 176.3 0.5 . 1 . . . . 334 GLU C . 6971 1 1404 . 1 1 132 132 GLU CA C 13 56.4 0.5 . 1 . . . . 334 GLU CA . 6971 1 1405 . 1 1 132 132 GLU CB C 13 30.7 0.5 . 1 . . . . 334 GLU CB . 6971 1 1406 . 1 1 132 132 GLU N N 15 123.3 0.5 . 1 . . . . 334 GLU N . 6971 1 1407 . 1 1 133 133 GLY H H 1 8.15 0.04 . 1 . . . . 335 GLY H . 6971 1 1408 . 1 1 133 133 GLY HA2 H 1 3.76 0.04 . 2 . . . . 335 GLY HA2 . 6971 1 1409 . 1 1 133 133 GLY HA3 H 1 4.04 0.04 . 2 . . . . 335 GLY HA3 . 6971 1 1410 . 1 1 133 133 GLY C C 13 171.3 0.5 . 1 . . . . 335 GLY C . 6971 1 1411 . 1 1 133 133 GLY CA C 13 44.2 0.5 . 1 . . . . 335 GLY CA . 6971 1 1412 . 1 1 133 133 GLY N N 15 111.2 0.5 . 1 . . . . 335 GLY N . 6971 1 stop_ save_