data_16923 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16923 _Entry.Title ; Solution Structure of Smurf2 WW2 and WW3 bound to Smad7 PY peptide Smad7 PY motif containing peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-11 _Entry.Accession_date 2010-05-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details ; Solution Structure of Smurf2 WW2 and WW3 bound to bound to Smad7 PY peptide Smad7 PY motif containing peptide ; _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 Andrew Chong . . . 16923 2 Hong Lin . . . 16923 3 Jeff Wrana . . . 16923 4 Julie Forman-Kay . D. . 16923 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16923 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'modular binding' . 16923 'PY motif' . 16923 Smurf2 . 16923 TGF-beta . 16923 WW . 16923 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16923 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 369 16923 '15N chemical shifts' 128 16923 '1H chemical shifts' 720 16923 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 . . 2010-11-09 2010-05-11 update BMRB 'update entry citation' 16923 1 . . 2010-10-14 2010-05-11 original author 'original release' 16923 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KXQ 'BMRB Entry Tracking System' 16923 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16923 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20937913 _Citation.Full_citation . _Citation.Title 'Coupling of tandem Smad ubiquitination regulatory factor (Smurf) WW domains modulates target specificity.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 107 _Citation.Journal_issue 43 _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 18404 _Citation.Page_last 18409 _Citation.Year 2010 _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 'P. Andrew' Chong . . . 16923 1 2 Hong Lin . . . 16923 1 3 Jeffrey Wrana . L. . 16923 1 4 Julie Forman-Kay . D. . 16923 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16923 _Assembly.ID 1 _Assembly.Name 'Smurf2 WW2 and WW3 bound to Smad7 PY' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $WW23 A . yes native no no . . . 16923 1 2 entity_2 2 $S7PY B . yes native no no . . . 16923 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_WW23 _Entity.Sf_category entity _Entity.Sf_framecode WW23 _Entity.Entry_ID 16923 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name WW23 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGGSPPDLPEGYEQRTTQ QGQVYFLHTQTGVSTWHDPR VPRDLSNINCEELGPLPPGW EIRNTATGRVYFVDHNNRTT QFTDPRLSAN ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Smurf2 WW23' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10114.108 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KXQ . "Solution Structure Of Smurf2 Ww2 And Ww3 Bound To Smad7 Py Motif Containing Peptide" . . . . . 100.00 90 100.00 100.00 1.24e-58 . . . . 16923 1 2 no EMBL CDQ73841 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 94.44 467 97.65 100.00 3.10e-51 . . . . 16923 1 3 no GB EAW94194 . "SMAD specific E3 ubiquitin protein ligase 2, isoform CRA_b [Homo sapiens]" . . . . . 94.44 507 98.82 100.00 8.71e-52 . . . . 16923 1 4 no GB ELW67486 . "E3 ubiquitin-protein ligase SMURF2 [Tupaia chinensis]" . . . . . 52.22 574 100.00 100.00 5.23e-23 . . . . 16923 1 5 no GB ERE69223 . "E3 ubiquitin-protein ligase [Cricetulus griseus]" . . . . . 94.44 774 98.82 100.00 8.17e-51 . . . . 16923 1 6 no GB ETE71876 . "E3 ubiquitin-protein ligase SMURF2, partial [Ophiophagus hannah]" . . . . . 94.44 360 98.82 100.00 8.61e-53 . . . . 16923 1 7 no GB KFQ44520 . "E3 ubiquitin-protein ligase SMURF2, partial [Nestor notabilis]" . . . . . 53.33 468 100.00 100.00 3.61e-24 . . . . 16923 1 8 no REF XP_004946261 . "PREDICTED: E3 ubiquitin-protein ligase SMURF2 isoform X3 [Gallus gallus]" . . . . . 94.44 512 98.82 100.00 9.41e-52 . . . . 16923 1 9 no REF XP_005056211 . "PREDICTED: E3 ubiquitin-protein ligase SMURF2 [Ficedula albicollis]" . . . . . 94.44 512 98.82 100.00 6.82e-52 . . . . 16923 1 10 no REF XP_005738172 . "PREDICTED: E3 ubiquitin-protein ligase SMURF2-like [Pundamilia nyererei]" . . . . . 92.22 798 98.80 100.00 1.80e-49 . . . . 16923 1 11 no REF XP_006534001 . "PREDICTED: E3 ubiquitin-protein ligase SMURF2 isoform X3 [Mus musculus]" . . . . . 94.44 507 98.82 100.00 9.57e-52 . . . . 16923 1 12 no REF XP_006912359 . "PREDICTED: E3 ubiquitin-protein ligase SMURF2 [Pteropus alecto]" . . . . . 94.44 507 98.82 100.00 9.08e-52 . . . . 16923 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 1 244 GLY . 16923 1 2 245 PRO . 16923 1 3 246 LEU . 16923 1 4 247 GLY . 16923 1 5 248 GLY . 16923 1 6 249 SER . 16923 1 7 250 PRO . 16923 1 8 251 PRO . 16923 1 9 252 ASP . 16923 1 10 253 LEU . 16923 1 11 254 PRO . 16923 1 12 255 GLU . 16923 1 13 256 GLY . 16923 1 14 257 TYR . 16923 1 15 258 GLU . 16923 1 16 259 GLN . 16923 1 17 260 ARG . 16923 1 18 261 THR . 16923 1 19 262 THR . 16923 1 20 263 GLN . 16923 1 21 264 GLN . 16923 1 22 265 GLY . 16923 1 23 266 GLN . 16923 1 24 267 VAL . 16923 1 25 268 TYR . 16923 1 26 269 PHE . 16923 1 27 270 LEU . 16923 1 28 271 HIS . 16923 1 29 272 THR . 16923 1 30 273 GLN . 16923 1 31 274 THR . 16923 1 32 275 GLY . 16923 1 33 276 VAL . 16923 1 34 277 SER . 16923 1 35 278 THR . 16923 1 36 279 TRP . 16923 1 37 280 HIS . 16923 1 38 281 ASP . 16923 1 39 282 PRO . 16923 1 40 283 ARG . 16923 1 41 284 VAL . 16923 1 42 285 PRO . 16923 1 43 286 ARG . 16923 1 44 287 ASP . 16923 1 45 288 LEU . 16923 1 46 289 SER . 16923 1 47 290 ASN . 16923 1 48 291 ILE . 16923 1 49 292 ASN . 16923 1 50 293 CYS . 16923 1 51 294 GLU . 16923 1 52 295 GLU . 16923 1 53 296 LEU . 16923 1 54 297 GLY . 16923 1 55 298 PRO . 16923 1 56 299 LEU . 16923 1 57 300 PRO . 16923 1 58 301 PRO . 16923 1 59 302 GLY . 16923 1 60 303 TRP . 16923 1 61 304 GLU . 16923 1 62 305 ILE . 16923 1 63 306 ARG . 16923 1 64 307 ASN . 16923 1 65 308 THR . 16923 1 66 309 ALA . 16923 1 67 310 THR . 16923 1 68 311 GLY . 16923 1 69 312 ARG . 16923 1 70 313 VAL . 16923 1 71 314 TYR . 16923 1 72 315 PHE . 16923 1 73 316 VAL . 16923 1 74 317 ASP . 16923 1 75 318 HIS . 16923 1 76 319 ASN . 16923 1 77 320 ASN . 16923 1 78 321 ARG . 16923 1 79 322 THR . 16923 1 80 323 THR . 16923 1 81 324 GLN . 16923 1 82 325 PHE . 16923 1 83 326 THR . 16923 1 84 327 ASP . 16923 1 85 328 PRO . 16923 1 86 329 ARG . 16923 1 87 330 LEU . 16923 1 88 331 SER . 16923 1 89 332 ALA . 16923 1 90 333 ASN . 16923 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 16923 1 . PRO 2 2 16923 1 . LEU 3 3 16923 1 . GLY 4 4 16923 1 . GLY 5 5 16923 1 . SER 6 6 16923 1 . PRO 7 7 16923 1 . PRO 8 8 16923 1 . ASP 9 9 16923 1 . LEU 10 10 16923 1 . PRO 11 11 16923 1 . GLU 12 12 16923 1 . GLY 13 13 16923 1 . TYR 14 14 16923 1 . GLU 15 15 16923 1 . GLN 16 16 16923 1 . ARG 17 17 16923 1 . THR 18 18 16923 1 . THR 19 19 16923 1 . GLN 20 20 16923 1 . GLN 21 21 16923 1 . GLY 22 22 16923 1 . GLN 23 23 16923 1 . VAL 24 24 16923 1 . TYR 25 25 16923 1 . PHE 26 26 16923 1 . LEU 27 27 16923 1 . HIS 28 28 16923 1 . THR 29 29 16923 1 . GLN 30 30 16923 1 . THR 31 31 16923 1 . GLY 32 32 16923 1 . VAL 33 33 16923 1 . SER 34 34 16923 1 . THR 35 35 16923 1 . TRP 36 36 16923 1 . HIS 37 37 16923 1 . ASP 38 38 16923 1 . PRO 39 39 16923 1 . ARG 40 40 16923 1 . VAL 41 41 16923 1 . PRO 42 42 16923 1 . ARG 43 43 16923 1 . ASP 44 44 16923 1 . LEU 45 45 16923 1 . SER 46 46 16923 1 . ASN 47 47 16923 1 . ILE 48 48 16923 1 . ASN 49 49 16923 1 . CYS 50 50 16923 1 . GLU 51 51 16923 1 . GLU 52 52 16923 1 . LEU 53 53 16923 1 . GLY 54 54 16923 1 . PRO 55 55 16923 1 . LEU 56 56 16923 1 . PRO 57 57 16923 1 . PRO 58 58 16923 1 . GLY 59 59 16923 1 . TRP 60 60 16923 1 . GLU 61 61 16923 1 . ILE 62 62 16923 1 . ARG 63 63 16923 1 . ASN 64 64 16923 1 . THR 65 65 16923 1 . ALA 66 66 16923 1 . THR 67 67 16923 1 . GLY 68 68 16923 1 . ARG 69 69 16923 1 . VAL 70 70 16923 1 . TYR 71 71 16923 1 . PHE 72 72 16923 1 . VAL 73 73 16923 1 . ASP 74 74 16923 1 . HIS 75 75 16923 1 . ASN 76 76 16923 1 . ASN 77 77 16923 1 . ARG 78 78 16923 1 . THR 79 79 16923 1 . THR 80 80 16923 1 . GLN 81 81 16923 1 . PHE 82 82 16923 1 . THR 83 83 16923 1 . ASP 84 84 16923 1 . PRO 85 85 16923 1 . ARG 86 86 16923 1 . LEU 87 87 16923 1 . SER 88 88 16923 1 . ALA 89 89 16923 1 . ASN 90 90 16923 1 stop_ save_ save_S7PY _Entity.Sf_category entity _Entity.Sf_framecode S7PY _Entity.Entry_ID 16923 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name S7PY _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSELESPPPPYSRYPMD ; _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 20 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Smad7 PY motif containing peptide' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2190.426 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 2DJY . "Solution Structure Of Smurf2 Ww3 Domain-Smad7 Py Peptide Complex" . . . . . 100.00 20 100.00 100.00 1.79e-03 . . . . 16923 2 2 no PDB 2KXQ . "Solution Structure Of Smurf2 Ww2 And Ww3 Bound To Smad7 Py Motif Containing Peptide" . . . . . 100.00 20 100.00 100.00 1.79e-03 . . . . 16923 2 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 1 198 GLY . 16923 2 2 199 PRO . 16923 2 3 200 LEU . 16923 2 4 201 GLY . 16923 2 5 202 SER . 16923 2 6 203 GLU . 16923 2 7 204 LEU . 16923 2 8 205 GLU . 16923 2 9 206 SER . 16923 2 10 207 PRO . 16923 2 11 208 PRO . 16923 2 12 209 PRO . 16923 2 13 210 PRO . 16923 2 14 211 TYR . 16923 2 15 212 SER . 16923 2 16 213 ARG . 16923 2 17 214 TYR . 16923 2 18 215 PRO . 16923 2 19 216 MET . 16923 2 20 217 ASP . 16923 2 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 16923 2 . PRO 2 2 16923 2 . LEU 3 3 16923 2 . GLY 4 4 16923 2 . SER 5 5 16923 2 . GLU 6 6 16923 2 . LEU 7 7 16923 2 . GLU 8 8 16923 2 . SER 9 9 16923 2 . PRO 10 10 16923 2 . PRO 11 11 16923 2 . PRO 12 12 16923 2 . PRO 13 13 16923 2 . TYR 14 14 16923 2 . SER 15 15 16923 2 . ARG 16 16 16923 2 . TYR 17 17 16923 2 . PRO 18 18 16923 2 . MET 19 19 16923 2 . ASP 20 20 16923 2 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 16923 _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 $WW23 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . Smurf2 . . . . 16923 1 2 2 $S7PY . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . Smad7 . . . . 16923 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 16923 _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 $WW23 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21DE3 cp' . . . . . . . . . . . . . . . PGEX6P1 . . . . . . 16923 1 2 2 $S7PY . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21DE3 cp' . . . . . . . . . . . . . . . PGEX6P1 . . . . . . 16923 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16923 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 WW23 '[U-100% 13C; U-100% 15N]' . . 1 $WW23 . . 1.2 . . mM . . . . 16923 1 2 S7PY '[U-100% 13C; U-100% 15N]' . . 2 $S7PY . . 1.2 . . mM . . . . 16923 1 3 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 16923 1 4 NaPi 'natural abundance' . . . . . . 40 . . mM . . . . 16923 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16923 1 6 NaAzide 'natural abundance' . . . . . . 0.05 . . % . . . . 16923 1 7 Benzamidine 'natural abundance' . . . . . . 0.5 . . mM . . . . 16923 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16923 1 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16923 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16923 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 20 mM NaCl 40 mM NaPi, pH 7.2 1 mM EDTA 0.05 % NaAzide 0.5 mM Benzamidine ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 235 . mM 16923 1 pH 7.2 . pH 16923 1 pressure 1 . atm 16923 1 temperature 298 . K 16923 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16923 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'AT Brunger et al.' 'Yale University' . 16923 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16923 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 16923 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16923 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16923 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 . . . 16923 1 2 spectrometer_2 Varian INOVA . 500 . . . 16923 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16923 _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 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16923 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16923 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16923 1 4 '3D NC-NOESY (N and C simultaneous)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16923 1 5 HACAN no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16923 1 6 '3D CCC-TOCSY-NNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16923 1 7 HBCBCGCDHD_ARO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16923 1 8 HBCBCGCDCDHE_ARO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16923 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16923 _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 acetate 'methyl carbon' . . . . ppm 25.85 na direct 1.0 . . . . . . . . . 16923 1 H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . . . . . 16923 1 N 15 urea nitrogen . . . . ppm 110 na direct 1.0 . . . . . . . . . 16923 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16923 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' . . . 16923 1 2 '3D HNCACB' . . . 16923 1 3 '3D HCCH-TOCSY' . . . 16923 1 6 '3D CCC-TOCSY-NNH' . . . 16923 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.563 . . 2 . . . . 244 GLY HA1 . 16923 1 2 . 1 1 1 1 GLY HA3 H 1 3.915 . . 2 . . . . 244 GLY HA2 . 16923 1 3 . 1 1 1 1 GLY CA C 13 43.480 . . 1 . . . . 244 GLY CA . 16923 1 4 . 1 1 2 2 PRO HA H 1 4.481 . . 1 . . . . 245 PRO HA . 16923 1 5 . 1 1 2 2 PRO HB2 H 1 1.956 . . 2 . . . . 245 PRO HB1 . 16923 1 6 . 1 1 2 2 PRO HB3 H 1 2.316 . . 2 . . . . 245 PRO HB2 . 16923 1 7 . 1 1 2 2 PRO HD2 H 1 3.570 . . 2 . . . . 245 PRO HD1 . 16923 1 8 . 1 1 2 2 PRO HD3 H 1 3.570 . . 2 . . . . 245 PRO HD2 . 16923 1 9 . 1 1 2 2 PRO HG2 H 1 1.998 . . 2 . . . . 245 PRO HG1 . 16923 1 10 . 1 1 2 2 PRO HG3 H 1 1.998 . . 2 . . . . 245 PRO HG2 . 16923 1 11 . 1 1 2 2 PRO CA C 13 62.895 . . 1 . . . . 245 PRO CA . 16923 1 12 . 1 1 2 2 PRO CB C 13 32.349 . . 1 . . . . 245 PRO CB . 16923 1 13 . 1 1 2 2 PRO CD C 13 49.539 . . 1 . . . . 245 PRO CD . 16923 1 14 . 1 1 2 2 PRO CG C 13 27.219 . . 1 . . . . 245 PRO CG . 16923 1 15 . 1 1 2 2 PRO N N 15 133.660 . . 1 . . . . 245 PRO N . 16923 1 16 . 1 1 3 3 LEU H H 1 8.554 . . 1 . . . . 246 LEU HN . 16923 1 17 . 1 1 3 3 LEU HA H 1 4.384 . . 1 . . . . 246 LEU HA . 16923 1 18 . 1 1 3 3 LEU HB2 H 1 1.670 . . 2 . . . . 246 LEU HB1 . 16923 1 19 . 1 1 3 3 LEU HB3 H 1 1.670 . . 2 . . . . 246 LEU HB2 . 16923 1 20 . 1 1 3 3 LEU HD11 H 1 0.920 . . 2 . . . . 246 LEU HD11 . 16923 1 21 . 1 1 3 3 LEU HD12 H 1 0.920 . . 2 . . . . 246 LEU HD11 . 16923 1 22 . 1 1 3 3 LEU HD13 H 1 0.920 . . 2 . . . . 246 LEU HD11 . 16923 1 23 . 1 1 3 3 LEU HD21 H 1 0.920 . . 2 . . . . 246 LEU HD21 . 16923 1 24 . 1 1 3 3 LEU HD22 H 1 0.920 . . 2 . . . . 246 LEU HD21 . 16923 1 25 . 1 1 3 3 LEU HD23 H 1 0.920 . . 2 . . . . 246 LEU HD21 . 16923 1 26 . 1 1 3 3 LEU HG H 1 1.664 . . 1 . . . . 246 LEU HG . 16923 1 27 . 1 1 3 3 LEU CA C 13 55.259 . . 1 . . . . 246 LEU CA . 16923 1 28 . 1 1 3 3 LEU CB C 13 42.000 . . 1 . . . . 246 LEU CB . 16923 1 29 . 1 1 3 3 LEU CD1 C 13 24.905 . . 1 . . . . 246 LEU CD1 . 16923 1 30 . 1 1 3 3 LEU CD2 C 13 23.453 . . 1 . . . . 246 LEU CD2 . 16923 1 31 . 1 1 3 3 LEU CG C 13 27.057 . . 1 . . . . 246 LEU CG . 16923 1 32 . 1 1 3 3 LEU N N 15 122.600 . . 1 . . . . 246 LEU N . 16923 1 33 . 1 1 4 4 GLY H H 1 8.406 . . 1 . . . . 247 GLY HN . 16923 1 34 . 1 1 4 4 GLY HA2 H 1 3.981 . . 2 . . . . 247 GLY HA1 . 16923 1 35 . 1 1 4 4 GLY HA3 H 1 4.058 . . 2 . . . . 247 GLY HA2 . 16923 1 36 . 1 1 4 4 GLY CA C 13 45.218 . . 1 . . . . 247 GLY CA . 16923 1 37 . 1 1 4 4 GLY N N 15 110.111 . . 1 . . . . 247 GLY N . 16923 1 38 . 1 1 5 5 GLY HA2 H 1 4.010 . . 2 . . . . 248 GLY HA1 . 16923 1 39 . 1 1 5 5 GLY HA3 H 1 4.010 . . 2 . . . . 248 GLY HA2 . 16923 1 40 . 1 1 5 5 GLY CA C 13 44.922 . . 1 . . . . 248 GLY CA . 16923 1 41 . 1 1 6 6 SER H H 1 8.239 . . 1 . . . . 249 SER HN . 16923 1 42 . 1 1 6 6 SER HA H 1 4.795 . . 1 . . . . 249 SER HA . 16923 1 43 . 1 1 6 6 SER HB2 H 1 3.779 . . 2 . . . . 249 SER HB1 . 16923 1 44 . 1 1 6 6 SER HB3 H 1 3.896 . . 2 . . . . 249 SER HB2 . 16923 1 45 . 1 1 6 6 SER CA C 13 56.530 . . 1 . . . . 249 SER CA . 16923 1 46 . 1 1 6 6 SER CB C 13 63.040 . . 1 . . . . 249 SER CB . 16923 1 47 . 1 1 6 6 SER N N 15 117.282 . . 1 . . . . 249 SER N . 16923 1 48 . 1 1 7 7 PRO HA H 1 4.715 . . 1 . . . . 250 PRO HA . 16923 1 49 . 1 1 7 7 PRO HB2 H 1 1.945 . . 2 . . . . 250 PRO HB1 . 16923 1 50 . 1 1 7 7 PRO HB3 H 1 2.378 . . 2 . . . . 250 PRO HB2 . 16923 1 51 . 1 1 7 7 PRO HD2 H 1 3.697 . . 2 . . . . 250 PRO HD1 . 16923 1 52 . 1 1 7 7 PRO HD3 H 1 3.878 . . 2 . . . . 250 PRO HD2 . 16923 1 53 . 1 1 7 7 PRO HG2 H 1 2.075 . . 2 . . . . 250 PRO HG2 . 16923 1 54 . 1 1 7 7 PRO CA C 13 61.400 . . 1 . . . . 250 PRO CA . 16923 1 55 . 1 1 7 7 PRO CB C 13 30.892 . . 1 . . . . 250 PRO CB . 16923 1 56 . 1 1 7 7 PRO CG C 13 27.365 . . 1 . . . . 250 PRO CG . 16923 1 57 . 1 1 7 7 PRO N N 15 139.590 . . 1 . . . . 250 PRO N . 16923 1 58 . 1 1 8 8 PRO HA H 1 4.454 . . 1 . . . . 251 PRO HA . 16923 1 59 . 1 1 8 8 PRO HB2 H 1 1.949 . . 2 . . . . 251 PRO HB1 . 16923 1 60 . 1 1 8 8 PRO HB3 H 1 2.286 . . 2 . . . . 251 PRO HB2 . 16923 1 61 . 1 1 8 8 PRO HD2 H 1 3.792 . . 2 . . . . 251 PRO HD1 . 16923 1 62 . 1 1 8 8 PRO HD3 H 1 3.680 . . 2 . . . . 251 PRO HD2 . 16923 1 63 . 1 1 8 8 PRO HG2 H 1 2.040 . . 2 . . . . 251 PRO HG1 . 16923 1 64 . 1 1 8 8 PRO HG3 H 1 1.973 . . 2 . . . . 251 PRO HG2 . 16923 1 65 . 1 1 8 8 PRO CA C 13 62.895 . . 1 . . . . 251 PRO CA . 16923 1 66 . 1 1 8 8 PRO CB C 13 31.925 . . 1 . . . . 251 PRO CB . 16923 1 67 . 1 1 8 8 PRO CD C 13 50.324 . . 1 . . . . 251 PRO CD . 16923 1 68 . 1 1 8 8 PRO CG C 13 27.293 . . 1 . . . . 251 PRO CG . 16923 1 69 . 1 1 8 8 PRO N N 15 135.359 . . 1 . . . . 251 PRO N . 16923 1 70 . 1 1 9 9 ASP H H 1 8.290 . . 1 . . . . 252 ASP HN . 16923 1 71 . 1 1 9 9 ASP HA H 1 4.603 . . 1 . . . . 252 ASP HA . 16923 1 72 . 1 1 9 9 ASP HB2 H 1 2.545 . . 2 . . . . 252 ASP HB1 . 16923 1 73 . 1 1 9 9 ASP HB3 H 1 2.718 . . 2 . . . . 252 ASP HB2 . 16923 1 74 . 1 1 9 9 ASP CA C 13 53.867 . . 1 . . . . 252 ASP CA . 16923 1 75 . 1 1 9 9 ASP CB C 13 41.000 . . 1 . . . . 252 ASP CB . 16923 1 76 . 1 1 9 9 ASP N N 15 120.049 . . 1 . . . . 252 ASP N . 16923 1 77 . 1 1 10 10 LEU H H 1 8.330 . . 1 . . . . 253 LEU HN . 16923 1 78 . 1 1 10 10 LEU HA H 1 4.328 . . 1 . . . . 253 LEU HA . 16923 1 79 . 1 1 10 10 LEU HB2 H 1 1.745 . . 2 . . . . 253 LEU HB1 . 16923 1 80 . 1 1 10 10 LEU HB3 H 1 1.476 . . 2 . . . . 253 LEU HB2 . 16923 1 81 . 1 1 10 10 LEU HD11 H 1 1.042 . . 2 . . . . 253 LEU HD11 . 16923 1 82 . 1 1 10 10 LEU HD12 H 1 1.042 . . 2 . . . . 253 LEU HD11 . 16923 1 83 . 1 1 10 10 LEU HD13 H 1 1.042 . . 2 . . . . 253 LEU HD11 . 16923 1 84 . 1 1 10 10 LEU HD21 H 1 0.873 . . 2 . . . . 253 LEU HD21 . 16923 1 85 . 1 1 10 10 LEU HD22 H 1 0.873 . . 2 . . . . 253 LEU HD21 . 16923 1 86 . 1 1 10 10 LEU HD23 H 1 0.873 . . 2 . . . . 253 LEU HD21 . 16923 1 87 . 1 1 10 10 LEU CA C 13 53.330 . . 1 . . . . 253 LEU CA . 16923 1 88 . 1 1 10 10 LEU CB C 13 41.540 . . 1 . . . . 253 LEU CB . 16923 1 89 . 1 1 10 10 LEU CD1 C 13 26.086 . . 1 . . . . 253 LEU CD1 . 16923 1 90 . 1 1 10 10 LEU CD2 C 13 24.129 . . 1 . . . . 253 LEU CD2 . 16923 1 91 . 1 1 10 10 LEU N N 15 122.353 . . 1 . . . . 253 LEU N . 16923 1 92 . 1 1 11 11 PRO HA H 1 4.459 . . 1 . . . . 254 PRO HA . 16923 1 93 . 1 1 11 11 PRO HB2 H 1 1.998 . . 2 . . . . 254 PRO HB1 . 16923 1 94 . 1 1 11 11 PRO HB3 H 1 2.410 . . 2 . . . . 254 PRO HB2 . 16923 1 95 . 1 1 11 11 PRO HD2 H 1 3.220 . . 2 . . . . 254 PRO HD1 . 16923 1 96 . 1 1 11 11 PRO HD3 H 1 3.622 . . 2 . . . . 254 PRO HD2 . 16923 1 97 . 1 1 11 11 PRO HG2 H 1 1.905 . . 2 . . . . 254 PRO HG1 . 16923 1 98 . 1 1 11 11 PRO HG3 H 1 1.780 . . 2 . . . . 254 PRO HG2 . 16923 1 99 . 1 1 11 11 PRO CA C 13 62.534 . . 1 . . . . 254 PRO CA . 16923 1 100 . 1 1 11 11 PRO CB C 13 31.526 . . 1 . . . . 254 PRO CB . 16923 1 101 . 1 1 11 11 PRO CD C 13 50.300 . . 1 . . . . 254 PRO CD . 16923 1 102 . 1 1 11 11 PRO CG C 13 27.364 . . 1 . . . . 254 PRO CG . 16923 1 103 . 1 1 11 11 PRO N N 15 134.969 . . 1 . . . . 254 PRO N . 16923 1 104 . 1 1 12 12 GLU H H 1 8.503 . . 1 . . . . 255 GLU HN . 16923 1 105 . 1 1 12 12 GLU HA H 1 4.133 . . 1 . . . . 255 GLU HA . 16923 1 106 . 1 1 12 12 GLU HB2 H 1 2.060 . . 2 . . . . 255 GLU HB1 . 16923 1 107 . 1 1 12 12 GLU HB3 H 1 2.060 . . 2 . . . . 255 GLU HB2 . 16923 1 108 . 1 1 12 12 GLU HG2 H 1 2.326 . . 2 . . . . 255 GLU HG1 . 16923 1 109 . 1 1 12 12 GLU HG3 H 1 2.326 . . 2 . . . . 255 GLU HG2 . 16923 1 110 . 1 1 12 12 GLU CA C 13 57.790 . . 1 . . . . 255 GLU CA . 16923 1 111 . 1 1 12 12 GLU CB C 13 29.901 . . 1 . . . . 255 GLU CB . 16923 1 112 . 1 1 12 12 GLU CG C 13 36.008 . . 1 . . . . 255 GLU CG . 16923 1 113 . 1 1 12 12 GLU N N 15 121.561 . . 1 . . . . 255 GLU N . 16923 1 114 . 1 1 13 13 GLY H H 1 8.656 . . 1 . . . . 256 GLY HN . 16923 1 115 . 1 1 13 13 GLY HA2 H 1 3.610 . . 2 . . . . 256 GLY HA1 . 16923 1 116 . 1 1 13 13 GLY HA3 H 1 3.989 . . 2 . . . . 256 GLY HA2 . 16923 1 117 . 1 1 13 13 GLY CA C 13 45.066 . . 1 . . . . 256 GLY CA . 16923 1 118 . 1 1 13 13 GLY N N 15 111.850 . . 1 . . . . 256 GLY N . 16923 1 119 . 1 1 14 14 TYR H H 1 7.981 . . 1 . . . . 257 TYR HN . 16923 1 120 . 1 1 14 14 TYR HA H 1 5.510 . . 1 . . . . 257 TYR HA . 16923 1 121 . 1 1 14 14 TYR HB2 H 1 2.711 . . 2 . . . . 257 TYR HB1 . 16923 1 122 . 1 1 14 14 TYR HB3 H 1 3.068 . . 2 . . . . 257 TYR HB2 . 16923 1 123 . 1 1 14 14 TYR HD1 H 1 6.988 . . 3 . . . . 257 TYR HD1 . 16923 1 124 . 1 1 14 14 TYR HD2 H 1 6.988 . . 3 . . . . 257 TYR HD2 . 16923 1 125 . 1 1 14 14 TYR HE1 H 1 6.863 . . 3 . . . . 257 TYR HE1 . 16923 1 126 . 1 1 14 14 TYR HE2 H 1 6.863 . . 3 . . . . 257 TYR HE2 . 16923 1 127 . 1 1 14 14 TYR CA C 13 57.990 . . 1 . . . . 257 TYR CA . 16923 1 128 . 1 1 14 14 TYR CB C 13 41.817 . . 1 . . . . 257 TYR CB . 16923 1 129 . 1 1 14 14 TYR CD1 C 13 132.200 . . 3 . . . . 257 TYR CD1 . 16923 1 130 . 1 1 14 14 TYR CD2 C 13 132.931 . . 3 . . . . 257 TYR CD2 . 16923 1 131 . 1 1 14 14 TYR CE1 C 13 118.240 . . 3 . . . . 257 TYR CE1 . 16923 1 132 . 1 1 14 14 TYR CE2 C 13 118.240 . . 3 . . . . 257 TYR CE2 . 16923 1 133 . 1 1 14 14 TYR N N 15 117.762 . . 1 . . . . 257 TYR N . 16923 1 134 . 1 1 15 15 GLU H H 1 9.127 . . 1 . . . . 258 GLU HN . 16923 1 135 . 1 1 15 15 GLU HA H 1 4.696 . . 1 . . . . 258 GLU HA . 16923 1 136 . 1 1 15 15 GLU HB2 H 1 2.010 . . 2 . . . . 258 GLU HB1 . 16923 1 137 . 1 1 15 15 GLU HB3 H 1 1.784 . . 2 . . . . 258 GLU HB2 . 16923 1 138 . 1 1 15 15 GLU HG2 H 1 2.153 . . 2 . . . . 258 GLU HG1 . 16923 1 139 . 1 1 15 15 GLU HG3 H 1 2.250 . . 2 . . . . 258 GLU HG2 . 16923 1 140 . 1 1 15 15 GLU CA C 13 54.409 . . 1 . . . . 258 GLU CA . 16923 1 141 . 1 1 15 15 GLU CB C 13 33.963 . . 1 . . . . 258 GLU CB . 16923 1 142 . 1 1 15 15 GLU CG C 13 36.215 . . 1 . . . . 258 GLU CG . 16923 1 143 . 1 1 15 15 GLU N N 15 118.983 . . 1 . . . . 258 GLU N . 16923 1 144 . 1 1 16 16 GLN H H 1 8.882 . . 1 . . . . 259 GLN HN . 16923 1 145 . 1 1 16 16 GLN HA H 1 4.370 . . 1 . . . . 259 GLN HA . 16923 1 146 . 1 1 16 16 GLN HB2 H 1 1.894 . . 2 . . . . 259 GLN HB1 . 16923 1 147 . 1 1 16 16 GLN HB3 H 1 1.894 . . 2 . . . . 259 GLN HB2 . 16923 1 148 . 1 1 16 16 GLN HE21 H 1 6.950 . . 2 . . . . 259 GLN HE21 . 16923 1 149 . 1 1 16 16 GLN HE22 H 1 6.747 . . 2 . . . . 259 GLN HE22 . 16923 1 150 . 1 1 16 16 GLN HG2 H 1 1.643 . . 2 . . . . 259 GLN HG1 . 16923 1 151 . 1 1 16 16 GLN HG3 H 1 1.893 . . 2 . . . . 259 GLN HG2 . 16923 1 152 . 1 1 16 16 GLN CA C 13 55.628 . . 1 . . . . 259 GLN CA . 16923 1 153 . 1 1 16 16 GLN CB C 13 29.765 . . 1 . . . . 259 GLN CB . 16923 1 154 . 1 1 16 16 GLN CG C 13 34.278 . . 1 . . . . 259 GLN CG . 16923 1 155 . 1 1 16 16 GLN N N 15 124.879 . . 1 . . . . 259 GLN N . 16923 1 156 . 1 1 16 16 GLN NE2 N 15 112.044 . . 1 . . . . 259 GLN NE2 . 16923 1 157 . 1 1 17 17 ARG H H 1 8.584 . . 1 . . . . 260 ARG HN . 16923 1 158 . 1 1 17 17 ARG HA H 1 4.475 . . 1 . . . . 260 ARG HA . 16923 1 159 . 1 1 17 17 ARG HB2 H 1 -0.085 . . 2 . . . . 260 ARG HB1 . 16923 1 160 . 1 1 17 17 ARG HB3 H 1 1.363 . . 2 . . . . 260 ARG HB2 . 16923 1 161 . 1 1 17 17 ARG HD2 H 1 2.987 . . 2 . . . . 260 ARG HD1 . 16923 1 162 . 1 1 17 17 ARG HD3 H 1 3.166 . . 2 . . . . 260 ARG HD2 . 16923 1 163 . 1 1 17 17 ARG HG2 H 1 1.148 . . 2 . . . . 260 ARG HG1 . 16923 1 164 . 1 1 17 17 ARG HG3 H 1 1.244 . . 2 . . . . 260 ARG HG2 . 16923 1 165 . 1 1 17 17 ARG CA C 13 53.461 . . 1 . . . . 260 ARG CA . 16923 1 166 . 1 1 17 17 ARG CB C 13 34.640 . . 1 . . . . 260 ARG CB . 16923 1 167 . 1 1 17 17 ARG CD C 13 42.985 . . 1 . . . . 260 ARG CD . 16923 1 168 . 1 1 17 17 ARG CG C 13 27.491 . . 1 . . . . 260 ARG CG . 16923 1 169 . 1 1 17 17 ARG N N 15 128.064 . . 1 . . . . 260 ARG N . 16923 1 170 . 1 1 18 18 THR H H 1 7.829 . . 1 . . . . 261 THR HN . 16923 1 171 . 1 1 18 18 THR HA H 1 5.461 . . 1 . . . . 261 THR HA . 16923 1 172 . 1 1 18 18 THR HB H 1 3.952 . . 1 . . . . 261 THR HB . 16923 1 173 . 1 1 18 18 THR HG21 H 1 1.192 . . 1 . . . . 261 THR HG21 . 16923 1 174 . 1 1 18 18 THR HG22 H 1 1.192 . . 1 . . . . 261 THR HG21 . 16923 1 175 . 1 1 18 18 THR HG23 H 1 1.192 . . 1 . . . . 261 THR HG21 . 16923 1 176 . 1 1 18 18 THR CA C 13 59.690 . . 1 . . . . 261 THR CA . 16923 1 177 . 1 1 18 18 THR CB C 13 71.870 . . 1 . . . . 261 THR CB . 16923 1 178 . 1 1 18 18 THR CG2 C 13 22.689 . . 1 . . . . 261 THR CG2 . 16923 1 179 . 1 1 18 18 THR N N 15 108.764 . . 1 . . . . 261 THR N . 16923 1 180 . 1 1 19 19 THR H H 1 9.266 . . 1 . . . . 262 THR HN . 16923 1 181 . 1 1 19 19 THR HA H 1 4.884 . . 1 . . . . 262 THR HA . 16923 1 182 . 1 1 19 19 THR HB H 1 5.156 . . 1 . . . . 262 THR HB . 16923 1 183 . 1 1 19 19 THR HG21 H 1 1.857 . . 1 . . . . 262 THR HG21 . 16923 1 184 . 1 1 19 19 THR HG22 H 1 1.857 . . 1 . . . . 262 THR HG21 . 16923 1 185 . 1 1 19 19 THR HG23 H 1 1.857 . . 1 . . . . 262 THR HG21 . 16923 1 186 . 1 1 19 19 THR CA C 13 60.900 . . 1 . . . . 262 THR CA . 16923 1 187 . 1 1 19 19 THR CB C 13 72.280 . . 1 . . . . 262 THR CB . 16923 1 188 . 1 1 19 19 THR CG2 C 13 22.294 . . 1 . . . . 262 THR CG2 . 16923 1 189 . 1 1 19 19 THR N N 15 115.011 . . 1 . . . . 262 THR N . 16923 1 190 . 1 1 20 20 GLN HA H 1 4.250 . . 1 . . . . 263 GLN HA . 16923 1 191 . 1 1 20 20 GLN HB2 H 1 2.218 . . 2 . . . . 263 GLN HB1 . 16923 1 192 . 1 1 20 20 GLN HB3 H 1 2.386 . . 2 . . . . 263 GLN HB2 . 16923 1 193 . 1 1 20 20 GLN HE21 H 1 7.659 . . 2 . . . . 263 GLN HE21 . 16923 1 194 . 1 1 20 20 GLN HE22 H 1 6.933 . . 2 . . . . 263 GLN HE22 . 16923 1 195 . 1 1 20 20 GLN HG2 H 1 2.565 . . 2 . . . . 263 GLN HG1 . 16923 1 196 . 1 1 20 20 GLN HG3 H 1 2.565 . . 2 . . . . 263 GLN HG2 . 16923 1 197 . 1 1 20 20 GLN CA C 13 58.336 . . 1 . . . . 263 GLN CA . 16923 1 198 . 1 1 20 20 GLN CB C 13 28.141 . . 1 . . . . 263 GLN CB . 16923 1 199 . 1 1 20 20 GLN CG C 13 34.200 . . 1 . . . . 263 GLN CG . 16923 1 200 . 1 1 20 20 GLN N N 15 120.791 . . 1 . . . . 263 GLN N . 16923 1 201 . 1 1 20 20 GLN NE2 N 15 112.748 . . 1 . . . . 263 GLN NE2 . 16923 1 202 . 1 1 21 21 GLN H H 1 7.677 . . 1 . . . . 264 GLN HN . 16923 1 203 . 1 1 21 21 GLN HA H 1 4.547 . . 1 . . . . 264 GLN HA . 16923 1 204 . 1 1 21 21 GLN HB2 H 1 1.810 . . 2 . . . . 264 GLN HB1 . 16923 1 205 . 1 1 21 21 GLN HB3 H 1 2.385 . . 2 . . . . 264 GLN HB2 . 16923 1 206 . 1 1 21 21 GLN HE21 H 1 7.584 . . 2 . . . . 264 GLN HE21 . 16923 1 207 . 1 1 21 21 GLN HE22 H 1 6.882 . . 2 . . . . 264 GLN HE22 . 16923 1 208 . 1 1 21 21 GLN HG2 H 1 2.394 . . 2 . . . . 264 GLN HG1 . 16923 1 209 . 1 1 21 21 GLN HG3 H 1 2.394 . . 2 . . . . 264 GLN HG2 . 16923 1 210 . 1 1 21 21 GLN CA C 13 55.899 . . 1 . . . . 264 GLN CA . 16923 1 211 . 1 1 21 21 GLN CB C 13 28.276 . . 1 . . . . 264 GLN CB . 16923 1 212 . 1 1 21 21 GLN CG C 13 34.853 . . 1 . . . . 264 GLN CG . 16923 1 213 . 1 1 21 21 GLN N N 15 115.726 . . 1 . . . . 264 GLN N . 16923 1 214 . 1 1 21 21 GLN NE2 N 15 112.176 . . 1 . . . . 264 GLN NE2 . 16923 1 215 . 1 1 22 22 GLY H H 1 7.983 . . 1 . . . . 265 GLY HN . 16923 1 216 . 1 1 22 22 GLY HA2 H 1 3.730 . . 2 . . . . 265 GLY HA1 . 16923 1 217 . 1 1 22 22 GLY HA3 H 1 4.404 . . 2 . . . . 265 GLY HA2 . 16923 1 218 . 1 1 22 22 GLY CA C 13 45.879 . . 1 . . . . 265 GLY CA . 16923 1 219 . 1 1 22 22 GLY N N 15 108.526 . . 1 . . . . 265 GLY N . 16923 1 220 . 1 1 23 23 GLN H H 1 7.712 . . 1 . . . . 266 GLN HN . 16923 1 221 . 1 1 23 23 GLN HA H 1 4.790 . . 1 . . . . 266 GLN HA . 16923 1 222 . 1 1 23 23 GLN HB2 H 1 1.726 . . 2 . . . . 266 GLN HB1 . 16923 1 223 . 1 1 23 23 GLN HB3 H 1 2.453 . . 2 . . . . 266 GLN HB2 . 16923 1 224 . 1 1 23 23 GLN HE21 H 1 7.991 . . 2 . . . . 266 GLN HE21 . 16923 1 225 . 1 1 23 23 GLN HE22 H 1 7.080 . . 2 . . . . 266 GLN HE22 . 16923 1 226 . 1 1 23 23 GLN HG2 H 1 1.670 . . 2 . . . . 266 GLN HG1 . 16923 1 227 . 1 1 23 23 GLN HG3 H 1 2.054 . . 2 . . . . 266 GLN HG2 . 16923 1 228 . 1 1 23 23 GLN CA C 13 54.815 . . 1 . . . . 266 GLN CA . 16923 1 229 . 1 1 23 23 GLN CB C 13 28.953 . . 1 . . . . 266 GLN CB . 16923 1 230 . 1 1 23 23 GLN CG C 13 31.999 . . 1 . . . . 266 GLN CG . 16923 1 231 . 1 1 23 23 GLN N N 15 117.767 . . 1 . . . . 266 GLN N . 16923 1 232 . 1 1 23 23 GLN NE2 N 15 114.219 . . 1 . . . . 266 GLN NE2 . 16923 1 233 . 1 1 24 24 VAL H H 1 9.144 . . 1 . . . . 267 VAL HN . 16923 1 234 . 1 1 24 24 VAL HA H 1 4.536 . . 1 . . . . 267 VAL HA . 16923 1 235 . 1 1 24 24 VAL HB H 1 2.210 . . 1 . . . . 267 VAL HB . 16923 1 236 . 1 1 24 24 VAL HG11 H 1 0.701 . . 2 . . . . 267 VAL HG11 . 16923 1 237 . 1 1 24 24 VAL HG12 H 1 0.701 . . 2 . . . . 267 VAL HG11 . 16923 1 238 . 1 1 24 24 VAL HG13 H 1 0.701 . . 2 . . . . 267 VAL HG11 . 16923 1 239 . 1 1 24 24 VAL HG21 H 1 1.154 . . 2 . . . . 267 VAL HG21 . 16923 1 240 . 1 1 24 24 VAL HG22 H 1 1.154 . . 2 . . . . 267 VAL HG21 . 16923 1 241 . 1 1 24 24 VAL HG23 H 1 1.154 . . 2 . . . . 267 VAL HG21 . 16923 1 242 . 1 1 24 24 VAL CA C 13 63.481 . . 1 . . . . 267 VAL CA . 16923 1 243 . 1 1 24 24 VAL CB C 13 32.744 . . 1 . . . . 267 VAL CB . 16923 1 244 . 1 1 24 24 VAL CG1 C 13 21.715 . . 1 . . . . 267 VAL CG1 . 16923 1 245 . 1 1 24 24 VAL CG2 C 13 22.100 . . 1 . . . . 267 VAL CG2 . 16923 1 246 . 1 1 24 24 VAL N N 15 127.998 . . 1 . . . . 267 VAL N . 16923 1 247 . 1 1 25 25 TYR H H 1 8.627 . . 1 . . . . 268 TYR HN . 16923 1 248 . 1 1 25 25 TYR HA H 1 4.888 . . 1 . . . . 268 TYR HA . 16923 1 249 . 1 1 25 25 TYR HB2 H 1 2.138 . . 2 . . . . 268 TYR HB1 . 16923 1 250 . 1 1 25 25 TYR HB3 H 1 2.610 . . 2 . . . . 268 TYR HB2 . 16923 1 251 . 1 1 25 25 TYR HD1 H 1 6.825 . . 3 . . . . 268 TYR HD1 . 16923 1 252 . 1 1 25 25 TYR HD2 H 1 6.825 . . 3 . . . . 268 TYR HD2 . 16923 1 253 . 1 1 25 25 TYR HE1 H 1 6.393 . . 3 . . . . 268 TYR HE1 . 16923 1 254 . 1 1 25 25 TYR HE2 H 1 6.393 . . 3 . . . . 268 TYR HE2 . 16923 1 255 . 1 1 25 25 TYR CA C 13 54.545 . . 1 . . . . 268 TYR CA . 16923 1 256 . 1 1 25 25 TYR CB C 13 39.785 . . 1 . . . . 268 TYR CB . 16923 1 257 . 1 1 25 25 TYR CD1 C 13 133.310 . . 3 . . . . 268 TYR CD1 . 16923 1 258 . 1 1 25 25 TYR CD2 C 13 133.310 . . 3 . . . . 268 TYR CD2 . 16923 1 259 . 1 1 25 25 TYR CE1 C 13 117.120 . . 3 . . . . 268 TYR CE1 . 16923 1 260 . 1 1 25 25 TYR CE2 C 13 117.120 . . 3 . . . . 268 TYR CE2 . 16923 1 261 . 1 1 25 25 TYR N N 15 122.125 . . 1 . . . . 268 TYR N . 16923 1 262 . 1 1 26 26 PHE H H 1 8.952 . . 1 . . . . 269 PHE HN . 16923 1 263 . 1 1 26 26 PHE HA H 1 5.132 . . 1 . . . . 269 PHE HA . 16923 1 264 . 1 1 26 26 PHE HB2 H 1 2.681 . . 2 . . . . 269 PHE HB1 . 16923 1 265 . 1 1 26 26 PHE HB3 H 1 2.956 . . 2 . . . . 269 PHE HB2 . 16923 1 266 . 1 1 26 26 PHE HD1 H 1 6.942 . . 3 . . . . 269 PHE HD1 . 16923 1 267 . 1 1 26 26 PHE HD2 H 1 6.942 . . 3 . . . . 269 PHE HD2 . 16923 1 268 . 1 1 26 26 PHE HE1 H 1 7.270 . . 3 . . . . 269 PHE HE1 . 16923 1 269 . 1 1 26 26 PHE HE2 H 1 7.270 . . 3 . . . . 269 PHE HE2 . 16923 1 270 . 1 1 26 26 PHE CA C 13 56.169 . . 1 . . . . 269 PHE CA . 16923 1 271 . 1 1 26 26 PHE CB C 13 41.140 . . 1 . . . . 269 PHE CB . 16923 1 272 . 1 1 26 26 PHE CD1 C 13 131.100 . . 3 . . . . 269 PHE CD1 . 16923 1 273 . 1 1 26 26 PHE CD2 C 13 131.100 . . 3 . . . . 269 PHE CD2 . 16923 1 274 . 1 1 26 26 PHE CE1 C 13 130.400 . . 3 . . . . 269 PHE CE1 . 16923 1 275 . 1 1 26 26 PHE CE2 C 13 130.400 . . 3 . . . . 269 PHE CE2 . 16923 1 276 . 1 1 26 26 PHE N N 15 116.322 . . 1 . . . . 269 PHE N . 16923 1 277 . 1 1 27 27 LEU H H 1 9.186 . . 1 . . . . 270 LEU HN . 16923 1 278 . 1 1 27 27 LEU HA H 1 5.018 . . 1 . . . . 270 LEU HA . 16923 1 279 . 1 1 27 27 LEU HB2 H 1 1.273 . . 2 . . . . 270 LEU HB1 . 16923 1 280 . 1 1 27 27 LEU HB3 H 1 1.704 . . 2 . . . . 270 LEU HB2 . 16923 1 281 . 1 1 27 27 LEU HD11 H 1 0.779 . . 2 . . . . 270 LEU HD11 . 16923 1 282 . 1 1 27 27 LEU HD12 H 1 0.779 . . 2 . . . . 270 LEU HD11 . 16923 1 283 . 1 1 27 27 LEU HD13 H 1 0.779 . . 2 . . . . 270 LEU HD11 . 16923 1 284 . 1 1 27 27 LEU HD21 H 1 0.845 . . 2 . . . . 270 LEU HD21 . 16923 1 285 . 1 1 27 27 LEU HD22 H 1 0.845 . . 2 . . . . 270 LEU HD21 . 16923 1 286 . 1 1 27 27 LEU HD23 H 1 0.845 . . 2 . . . . 270 LEU HD21 . 16923 1 287 . 1 1 27 27 LEU HG H 1 1.135 . . 1 . . . . 270 LEU HG . 16923 1 288 . 1 1 27 27 LEU CA C 13 53.191 . . 1 . . . . 270 LEU CA . 16923 1 289 . 1 1 27 27 LEU CB C 13 46.691 . . 1 . . . . 270 LEU CB . 16923 1 290 . 1 1 27 27 LEU CD1 C 13 23.556 . . 1 . . . . 270 LEU CD1 . 16923 1 291 . 1 1 27 27 LEU CD2 C 13 25.980 . . 1 . . . . 270 LEU CD2 . 16923 1 292 . 1 1 27 27 LEU CG C 13 27.227 . . 1 . . . . 270 LEU CG . 16923 1 293 . 1 1 27 27 LEU N N 15 126.030 . . 1 . . . . 270 LEU N . 16923 1 294 . 1 1 28 28 HIS H H 1 8.987 . . 1 . . . . 271 HIS HN . 16923 1 295 . 1 1 28 28 HIS HA H 1 4.367 . . 1 . . . . 271 HIS HA . 16923 1 296 . 1 1 28 28 HIS HB2 H 1 3.243 . . 2 . . . . 271 HIS HB1 . 16923 1 297 . 1 1 28 28 HIS HB3 H 1 2.286 . . 2 . . . . 271 HIS HB2 . 16923 1 298 . 1 1 28 28 HIS HD2 H 1 6.183 . . 3 . . . . 271 HIS HD2 . 16923 1 299 . 1 1 28 28 HIS HE1 H 1 7.735 . . 3 . . . . 271 HIS HE1 . 16923 1 300 . 1 1 28 28 HIS CA C 13 56.169 . . 1 . . . . 271 HIS CA . 16923 1 301 . 1 1 28 28 HIS CB C 13 30.036 . . 1 . . . . 271 HIS CB . 16923 1 302 . 1 1 28 28 HIS CD2 C 13 117.749 . . 1 . . . . 271 HIS CD2 . 16923 1 303 . 1 1 28 28 HIS CE1 C 13 137.707 . . 1 . . . . 271 HIS CE1 . 16923 1 304 . 1 1 28 28 HIS N N 15 129.580 . . 1 . . . . 271 HIS N . 16923 1 305 . 1 1 28 28 HIS ND1 N 15 245.210 . . 1 . . . . 271 HIS ND1 . 16923 1 306 . 1 1 28 28 HIS NE2 N 15 168.204 . . 1 . . . . 271 HIS NE2 . 16923 1 307 . 1 1 29 29 THR H H 1 8.154 . . 1 . . . . 272 THR HN . 16923 1 308 . 1 1 29 29 THR HA H 1 3.604 . . 1 . . . . 272 THR HA . 16923 1 309 . 1 1 29 29 THR HB H 1 4.031 . . 1 . . . . 272 THR HB . 16923 1 310 . 1 1 29 29 THR HG21 H 1 1.152 . . 1 . . . . 272 THR HG21 . 16923 1 311 . 1 1 29 29 THR HG22 H 1 1.152 . . 1 . . . . 272 THR HG21 . 16923 1 312 . 1 1 29 29 THR HG23 H 1 1.152 . . 1 . . . . 272 THR HG21 . 16923 1 313 . 1 1 29 29 THR CA C 13 65.919 . . 1 . . . . 272 THR CA . 16923 1 314 . 1 1 29 29 THR CB C 13 68.360 . . 1 . . . . 272 THR CB . 16923 1 315 . 1 1 29 29 THR CG2 C 13 21.709 . . 1 . . . . 272 THR CG2 . 16923 1 316 . 1 1 29 29 THR N N 15 121.920 . . 1 . . . . 272 THR N . 16923 1 317 . 1 1 30 30 GLN H H 1 8.767 . . 1 . . . . 273 GLN HN . 16923 1 318 . 1 1 30 30 GLN HA H 1 4.216 . . 1 . . . . 273 GLN HA . 16923 1 319 . 1 1 30 30 GLN HB2 H 1 2.051 . . 2 . . . . 273 GLN HB1 . 16923 1 320 . 1 1 30 30 GLN HB3 H 1 1.987 . . 2 . . . . 273 GLN HB2 . 16923 1 321 . 1 1 30 30 GLN HE21 H 1 7.499 . . 2 . . . . 273 GLN HE21 . 16923 1 322 . 1 1 30 30 GLN HE22 H 1 6.844 . . 2 . . . . 273 GLN HE22 . 16923 1 323 . 1 1 30 30 GLN HG2 H 1 2.400 . . 2 . . . . 273 GLN HG1 . 16923 1 324 . 1 1 30 30 GLN HG3 H 1 2.341 . . 2 . . . . 273 GLN HG2 . 16923 1 325 . 1 1 30 30 GLN CA C 13 58.201 . . 1 . . . . 273 GLN CA . 16923 1 326 . 1 1 30 30 GLN CB C 13 29.224 . . 1 . . . . 273 GLN CB . 16923 1 327 . 1 1 30 30 GLN CG C 13 33.943 . . 1 . . . . 273 GLN CG . 16923 1 328 . 1 1 30 30 GLN N N 15 119.414 . . 1 . . . . 273 GLN N . 16923 1 329 . 1 1 30 30 GLN NE2 N 15 112.264 . . 1 . . . . 273 GLN NE2 . 16923 1 330 . 1 1 31 31 THR H H 1 7.774 . . 1 . . . . 274 THR HN . 16923 1 331 . 1 1 31 31 THR HA H 1 4.484 . . 1 . . . . 274 THR HA . 16923 1 332 . 1 1 31 31 THR HB H 1 4.340 . . 1 . . . . 274 THR HB . 16923 1 333 . 1 1 31 31 THR HG21 H 1 1.195 . . 1 . . . . 274 THR HG21 . 16923 1 334 . 1 1 31 31 THR HG22 H 1 1.195 . . 1 . . . . 274 THR HG21 . 16923 1 335 . 1 1 31 31 THR HG23 H 1 1.195 . . 1 . . . . 274 THR HG21 . 16923 1 336 . 1 1 31 31 THR CA C 13 62.127 . . 1 . . . . 274 THR CA . 16923 1 337 . 1 1 31 31 THR CB C 13 71.100 . . 1 . . . . 274 THR CB . 16923 1 338 . 1 1 31 31 THR CG2 C 13 21.650 . . 1 . . . . 274 THR CG2 . 16923 1 339 . 1 1 31 31 THR N N 15 106.890 . . 1 . . . . 274 THR N . 16923 1 340 . 1 1 32 32 GLY H H 1 8.568 . . 1 . . . . 275 GLY HN . 16923 1 341 . 1 1 32 32 GLY HA2 H 1 3.683 . . 2 . . . . 275 GLY HA1 . 16923 1 342 . 1 1 32 32 GLY HA3 H 1 4.165 . . 2 . . . . 275 GLY HA2 . 16923 1 343 . 1 1 32 32 GLY CA C 13 45.843 . . 1 . . . . 275 GLY CA . 16923 1 344 . 1 1 32 32 GLY N N 15 111.606 . . 1 . . . . 275 GLY N . 16923 1 345 . 1 1 33 33 VAL H H 1 7.428 . . 1 . . . . 276 VAL HN . 16923 1 346 . 1 1 33 33 VAL HA H 1 4.079 . . 1 . . . . 276 VAL HA . 16923 1 347 . 1 1 33 33 VAL HB H 1 1.976 . . 1 . . . . 276 VAL HB . 16923 1 348 . 1 1 33 33 VAL HG11 H 1 1.002 . . 2 . . . . 276 VAL HG11 . 16923 1 349 . 1 1 33 33 VAL HG12 H 1 1.002 . . 2 . . . . 276 VAL HG11 . 16923 1 350 . 1 1 33 33 VAL HG13 H 1 1.002 . . 2 . . . . 276 VAL HG11 . 16923 1 351 . 1 1 33 33 VAL HG21 H 1 0.991 . . 2 . . . . 276 VAL HG21 . 16923 1 352 . 1 1 33 33 VAL HG22 H 1 0.991 . . 2 . . . . 276 VAL HG21 . 16923 1 353 . 1 1 33 33 VAL HG23 H 1 0.991 . . 2 . . . . 276 VAL HG21 . 16923 1 354 . 1 1 33 33 VAL CA C 13 63.211 . . 1 . . . . 276 VAL CA . 16923 1 355 . 1 1 33 33 VAL CB C 13 33.151 . . 1 . . . . 276 VAL CB . 16923 1 356 . 1 1 33 33 VAL CG1 C 13 21.526 . . 1 . . . . 276 VAL CG1 . 16923 1 357 . 1 1 33 33 VAL CG2 C 13 21.900 . . 1 . . . . 276 VAL CG2 . 16923 1 358 . 1 1 33 33 VAL N N 15 121.246 . . 1 . . . . 276 VAL N . 16923 1 359 . 1 1 34 34 SER H H 1 8.584 . . 1 . . . . 277 SER HN . 16923 1 360 . 1 1 34 34 SER HA H 1 5.819 . . 1 . . . . 277 SER HA . 16923 1 361 . 1 1 34 34 SER HB2 H 1 3.566 . . 2 . . . . 277 SER HB1 . 16923 1 362 . 1 1 34 34 SER HB3 H 1 3.524 . . 2 . . . . 277 SER HB2 . 16923 1 363 . 1 1 34 34 SER CA C 13 56.440 . . 1 . . . . 277 SER CA . 16923 1 364 . 1 1 34 34 SER CB C 13 66.325 . . 1 . . . . 277 SER CB . 16923 1 365 . 1 1 34 34 SER N N 15 122.516 . . 1 . . . . 277 SER N . 16923 1 366 . 1 1 35 35 THR H H 1 9.048 . . 1 . . . . 278 THR HN . 16923 1 367 . 1 1 35 35 THR HA H 1 4.860 . . 1 . . . . 278 THR HA . 16923 1 368 . 1 1 35 35 THR HB H 1 4.369 . . 1 . . . . 278 THR HB . 16923 1 369 . 1 1 35 35 THR HG21 H 1 1.460 . . 1 . . . . 278 THR HG21 . 16923 1 370 . 1 1 35 35 THR HG22 H 1 1.460 . . 1 . . . . 278 THR HG21 . 16923 1 371 . 1 1 35 35 THR HG23 H 1 1.460 . . 1 . . . . 278 THR HG21 . 16923 1 372 . 1 1 35 35 THR CA C 13 59.013 . . 1 . . . . 278 THR CA . 16923 1 373 . 1 1 35 35 THR CB C 13 70.252 . . 1 . . . . 278 THR CB . 16923 1 374 . 1 1 35 35 THR CG2 C 13 19.707 . . 1 . . . . 278 THR CG2 . 16923 1 375 . 1 1 35 35 THR N N 15 116.006 . . 1 . . . . 278 THR N . 16923 1 376 . 1 1 36 36 TRP H H 1 8.910 . . 1 . . . . 279 TRP HN . 16923 1 377 . 1 1 36 36 TRP HA H 1 5.185 . . 1 . . . . 279 TRP HA . 16923 1 378 . 1 1 36 36 TRP HB2 H 1 3.045 . . 2 . . . . 279 TRP HB1 . 16923 1 379 . 1 1 36 36 TRP HB3 H 1 3.987 . . 2 . . . . 279 TRP HB2 . 16923 1 380 . 1 1 36 36 TRP HD1 H 1 7.335 . . 1 . . . . 279 TRP HD1 . 16923 1 381 . 1 1 36 36 TRP HE1 H 1 10.045 . . 3 . . . . 279 TRP HE1 . 16923 1 382 . 1 1 36 36 TRP HE3 H 1 8.237 . . 3 . . . . 279 TRP HE3 . 16923 1 383 . 1 1 36 36 TRP HH2 H 1 6.802 . . 1 . . . . 279 TRP HH2 . 16923 1 384 . 1 1 36 36 TRP HZ2 H 1 7.319 . . 3 . . . . 279 TRP HZ2 . 16923 1 385 . 1 1 36 36 TRP HZ3 H 1 6.785 . . 3 . . . . 279 TRP HZ3 . 16923 1 386 . 1 1 36 36 TRP CA C 13 57.117 . . 1 . . . . 279 TRP CA . 16923 1 387 . 1 1 36 36 TRP CB C 13 30.713 . . 1 . . . . 279 TRP CB . 16923 1 388 . 1 1 36 36 TRP CD1 C 13 128.500 . . 3 . . . . 279 TRP CD1 . 16923 1 389 . 1 1 36 36 TRP CE3 C 13 122.425 . . 3 . . . . 279 TRP CE3 . 16923 1 390 . 1 1 36 36 TRP CH2 C 13 123.577 . . 1 . . . . 279 TRP CH2 . 16923 1 391 . 1 1 36 36 TRP CZ2 C 13 114.351 . . 3 . . . . 279 TRP CZ2 . 16923 1 392 . 1 1 36 36 TRP CZ3 C 13 122.511 . . 3 . . . . 279 TRP CZ3 . 16923 1 393 . 1 1 36 36 TRP N N 15 125.257 . . 1 . . . . 279 TRP N . 16923 1 394 . 1 1 36 36 TRP NE1 N 15 128.870 . . 1 . . . . 279 TRP NE1 . 16923 1 395 . 1 1 37 37 HIS H H 1 8.393 . . 1 . . . . 280 HIS HN . 16923 1 396 . 1 1 37 37 HIS HA H 1 4.788 . . 1 . . . . 280 HIS HA . 16923 1 397 . 1 1 37 37 HIS HB2 H 1 3.090 . . 2 . . . . 280 HIS HB1 . 16923 1 398 . 1 1 37 37 HIS HB3 H 1 2.826 . . 2 . . . . 280 HIS HB2 . 16923 1 399 . 1 1 37 37 HIS HD2 H 1 7.054 . . 3 . . . . 280 HIS HD2 . 16923 1 400 . 1 1 37 37 HIS HE1 H 1 7.426 . . 3 . . . . 280 HIS HE1 . 16923 1 401 . 1 1 37 37 HIS CA C 13 55.492 . . 1 . . . . 280 HIS CA . 16923 1 402 . 1 1 37 37 HIS CB C 13 32.609 . . 1 . . . . 280 HIS CB . 16923 1 403 . 1 1 37 37 HIS CD2 C 13 120.000 . . 1 . . . . 280 HIS CD2 . 16923 1 404 . 1 1 37 37 HIS CE1 C 13 138.303 . . 1 . . . . 280 HIS CE1 . 16923 1 405 . 1 1 37 37 HIS N N 15 120.315 . . 1 . . . . 280 HIS N . 16923 1 406 . 1 1 37 37 HIS ND1 N 15 229.998 . . 1 . . . . 280 HIS ND1 . 16923 1 407 . 1 1 37 37 HIS NE2 N 15 182.730 . . 1 . . . . 280 HIS NE2 . 16923 1 408 . 1 1 38 38 ASP H H 1 7.572 . . 1 . . . . 281 ASP HN . 16923 1 409 . 1 1 38 38 ASP HA H 1 2.991 . . 1 . . . . 281 ASP HA . 16923 1 410 . 1 1 38 38 ASP HB2 H 1 2.264 . . 2 . . . . 281 ASP HB1 . 16923 1 411 . 1 1 38 38 ASP HB3 H 1 2.638 . . 2 . . . . 281 ASP HB2 . 16923 1 412 . 1 1 38 38 ASP CA C 13 51.430 . . 1 . . . . 281 ASP CA . 16923 1 413 . 1 1 38 38 ASP CB C 13 42.087 . . 1 . . . . 281 ASP CB . 16923 1 414 . 1 1 38 38 ASP N N 15 124.386 . . 1 . . . . 281 ASP N . 16923 1 415 . 1 1 39 39 PRO HA H 1 4.305 . . 1 . . . . 282 PRO HA . 16923 1 416 . 1 1 39 39 PRO HB2 H 1 1.424 . . 2 . . . . 282 PRO HB1 . 16923 1 417 . 1 1 39 39 PRO HB3 H 1 1.805 . . 2 . . . . 282 PRO HB2 . 16923 1 418 . 1 1 39 39 PRO HD2 H 1 2.520 . . 2 . . . . 282 PRO HD1 . 16923 1 419 . 1 1 39 39 PRO HD3 H 1 3.034 . . 2 . . . . 282 PRO HD2 . 16923 1 420 . 1 1 39 39 PRO HG2 H 1 0.792 . . 2 . . . . 282 PRO HG1 . 16923 1 421 . 1 1 39 39 PRO HG3 H 1 0.792 . . 2 . . . . 282 PRO HG2 . 16923 1 422 . 1 1 39 39 PRO CA C 13 63.075 . . 1 . . . . 282 PRO CA . 16923 1 423 . 1 1 39 39 PRO CB C 13 31.797 . . 1 . . . . 282 PRO CB . 16923 1 424 . 1 1 39 39 PRO CD C 13 49.849 . . 1 . . . . 282 PRO CD . 16923 1 425 . 1 1 39 39 PRO CG C 13 26.108 . . 1 . . . . 282 PRO CG . 16923 1 426 . 1 1 39 39 PRO N N 15 138.105 . . 1 . . . . 282 PRO N . 16923 1 427 . 1 1 40 40 ARG H H 1 8.567 . . 1 . . . . 283 ARG HN . 16923 1 428 . 1 1 40 40 ARG HA H 1 3.969 . . 1 . . . . 283 ARG HA . 16923 1 429 . 1 1 40 40 ARG HB2 H 1 1.890 . . 2 . . . . 283 ARG HB1 . 16923 1 430 . 1 1 40 40 ARG HB3 H 1 1.637 . . 2 . . . . 283 ARG HB2 . 16923 1 431 . 1 1 40 40 ARG HD2 H 1 2.991 . . 2 . . . . 283 ARG HD1 . 16923 1 432 . 1 1 40 40 ARG HD3 H 1 3.071 . . 2 . . . . 283 ARG HD2 . 16923 1 433 . 1 1 40 40 ARG HE H 1 8.586 . . 1 . . . . 283 ARG HE . 16923 1 434 . 1 1 40 40 ARG HG2 H 1 1.284 . . 2 . . . . 283 ARG HG1 . 16923 1 435 . 1 1 40 40 ARG HG3 H 1 1.284 . . 2 . . . . 283 ARG HG2 . 16923 1 436 . 1 1 40 40 ARG CA C 13 56.982 . . 1 . . . . 283 ARG CA . 16923 1 437 . 1 1 40 40 ARG CB C 13 31.120 . . 1 . . . . 283 ARG CB . 16923 1 438 . 1 1 40 40 ARG CD C 13 43.197 . . 1 . . . . 283 ARG CD . 16923 1 439 . 1 1 40 40 ARG CG C 13 26.919 . . 1 . . . . 283 ARG CG . 16923 1 440 . 1 1 40 40 ARG N N 15 118.013 . . 1 . . . . 283 ARG N . 16923 1 441 . 1 1 40 40 ARG NE N 15 84.420 . . 1 . . . . 283 ARG NE . 16923 1 442 . 1 1 41 41 VAL H H 1 7.325 . . 1 . . . . 284 VAL HN . 16923 1 443 . 1 1 41 41 VAL HA H 1 4.507 . . 1 . . . . 284 VAL HA . 16923 1 444 . 1 1 41 41 VAL HB H 1 2.047 . . 1 . . . . 284 VAL HB . 16923 1 445 . 1 1 41 41 VAL HG11 H 1 0.913 . . 2 . . . . 284 VAL HG11 . 16923 1 446 . 1 1 41 41 VAL HG12 H 1 0.913 . . 2 . . . . 284 VAL HG11 . 16923 1 447 . 1 1 41 41 VAL HG13 H 1 0.913 . . 2 . . . . 284 VAL HG11 . 16923 1 448 . 1 1 41 41 VAL HG21 H 1 0.744 . . 2 . . . . 284 VAL HG21 . 16923 1 449 . 1 1 41 41 VAL HG22 H 1 0.744 . . 2 . . . . 284 VAL HG21 . 16923 1 450 . 1 1 41 41 VAL HG23 H 1 0.744 . . 2 . . . . 284 VAL HG21 . 16923 1 451 . 1 1 41 41 VAL CA C 13 58.471 . . 1 . . . . 284 VAL CA . 16923 1 452 . 1 1 41 41 VAL CB C 13 33.421 . . 1 . . . . 284 VAL CB . 16923 1 453 . 1 1 41 41 VAL CG1 C 13 21.478 . . 1 . . . . 284 VAL CG1 . 16923 1 454 . 1 1 41 41 VAL CG2 C 13 20.238 . . 1 . . . . 284 VAL CG2 . 16923 1 455 . 1 1 41 41 VAL N N 15 116.986 . . 1 . . . . 284 VAL N . 16923 1 456 . 1 1 42 42 PRO HA H 1 4.352 . . 1 . . . . 285 PRO HA . 16923 1 457 . 1 1 42 42 PRO HB2 H 1 1.877 . . 2 . . . . 285 PRO HB1 . 16923 1 458 . 1 1 42 42 PRO HB3 H 1 2.368 . . 2 . . . . 285 PRO HB2 . 16923 1 459 . 1 1 42 42 PRO HD2 H 1 3.569 . . 2 . . . . 285 PRO HD1 . 16923 1 460 . 1 1 42 42 PRO HD3 H 1 3.883 . . 2 . . . . 285 PRO HD2 . 16923 1 461 . 1 1 42 42 PRO HG2 H 1 1.993 . . 2 . . . . 285 PRO HG2 . 16923 1 462 . 1 1 42 42 PRO CA C 13 62.804 . . 1 . . . . 285 PRO CA . 16923 1 463 . 1 1 42 42 PRO CB C 13 32.100 . . 1 . . . . 285 PRO CB . 16923 1 464 . 1 1 42 42 PRO CD C 13 50.851 . . 1 . . . . 285 PRO CD . 16923 1 465 . 1 1 42 42 PRO CG C 13 27.687 . . 1 . . . . 285 PRO CG . 16923 1 466 . 1 1 42 42 PRO N N 15 139.564 . . 1 . . . . 285 PRO N . 16923 1 467 . 1 1 43 43 ARG H H 1 8.460 . . 1 . . . . 286 ARG HN . 16923 1 468 . 1 1 43 43 ARG HA H 1 4.039 . . 1 . . . . 286 ARG HA . 16923 1 469 . 1 1 43 43 ARG HB2 H 1 1.702 . . 2 . . . . 286 ARG HB1 . 16923 1 470 . 1 1 43 43 ARG HB3 H 1 1.702 . . 2 . . . . 286 ARG HB2 . 16923 1 471 . 1 1 43 43 ARG HD2 H 1 2.944 . . 2 . . . . 286 ARG HD1 . 16923 1 472 . 1 1 43 43 ARG HD3 H 1 2.944 . . 2 . . . . 286 ARG HD2 . 16923 1 473 . 1 1 43 43 ARG HG2 H 1 1.498 . . 2 . . . . 286 ARG HG1 . 16923 1 474 . 1 1 43 43 ARG HG3 H 1 1.498 . . 2 . . . . 286 ARG HG2 . 16923 1 475 . 1 1 43 43 ARG CA C 13 57.253 . . 1 . . . . 286 ARG CA . 16923 1 476 . 1 1 43 43 ARG CB C 13 29.901 . . 1 . . . . 286 ARG CB . 16923 1 477 . 1 1 43 43 ARG CD C 13 42.618 . . 1 . . . . 286 ARG CD . 16923 1 478 . 1 1 43 43 ARG CG C 13 26.844 . . 1 . . . . 286 ARG CG . 16923 1 479 . 1 1 43 43 ARG N N 15 121.930 . . 1 . . . . 286 ARG N . 16923 1 480 . 1 1 44 44 ASP H H 1 8.244 . . 1 . . . . 287 ASP HN . 16923 1 481 . 1 1 44 44 ASP HA H 1 4.574 . . 1 . . . . 287 ASP HA . 16923 1 482 . 1 1 44 44 ASP HB2 H 1 2.596 . . 2 . . . . 287 ASP HB1 . 16923 1 483 . 1 1 44 44 ASP HB3 H 1 2.730 . . 2 . . . . 287 ASP HB2 . 16923 1 484 . 1 1 44 44 ASP CA C 13 54.000 . . 1 . . . . 287 ASP CA . 16923 1 485 . 1 1 44 44 ASP CB C 13 40.327 . . 1 . . . . 287 ASP CB . 16923 1 486 . 1 1 44 44 ASP N N 15 117.242 . . 1 . . . . 287 ASP N . 16923 1 487 . 1 1 45 45 LEU H H 1 8.064 . . 1 . . . . 288 LEU HN . 16923 1 488 . 1 1 45 45 LEU HA H 1 4.428 . . 1 . . . . 288 LEU HA . 16923 1 489 . 1 1 45 45 LEU HB2 H 1 1.622 . . 2 . . . . 288 LEU HB1 . 16923 1 490 . 1 1 45 45 LEU HB3 H 1 1.747 . . 2 . . . . 288 LEU HB2 . 16923 1 491 . 1 1 45 45 LEU HD11 H 1 0.955 . . 2 . . . . 288 LEU HD11 . 16923 1 492 . 1 1 45 45 LEU HD12 H 1 0.955 . . 2 . . . . 288 LEU HD11 . 16923 1 493 . 1 1 45 45 LEU HD13 H 1 0.955 . . 2 . . . . 288 LEU HD11 . 16923 1 494 . 1 1 45 45 LEU HD21 H 1 0.862 . . 2 . . . . 288 LEU HD21 . 16923 1 495 . 1 1 45 45 LEU HD22 H 1 0.862 . . 2 . . . . 288 LEU HD21 . 16923 1 496 . 1 1 45 45 LEU HD23 H 1 0.862 . . 2 . . . . 288 LEU HD21 . 16923 1 497 . 1 1 45 45 LEU HG H 1 1.623 . . 1 . . . . 288 LEU HG . 16923 1 498 . 1 1 45 45 LEU CA C 13 54.680 . . 1 . . . . 288 LEU CA . 16923 1 499 . 1 1 45 45 LEU CB C 13 41.952 . . 1 . . . . 288 LEU CB . 16923 1 500 . 1 1 45 45 LEU CD1 C 13 25.397 . . 1 . . . . 288 LEU CD1 . 16923 1 501 . 1 1 45 45 LEU CD2 C 13 23.486 . . 1 . . . . 288 LEU CD2 . 16923 1 502 . 1 1 45 45 LEU CG C 13 26.926 . . 1 . . . . 288 LEU CG . 16923 1 503 . 1 1 45 45 LEU N N 15 122.227 . . 1 . . . . 288 LEU N . 16923 1 504 . 1 1 46 46 SER H H 1 8.096 . . 1 . . . . 289 SER HN . 16923 1 505 . 1 1 46 46 SER HA H 1 4.338 . . 1 . . . . 289 SER HA . 16923 1 506 . 1 1 46 46 SER HB2 H 1 3.927 . . 2 . . . . 289 SER HB1 . 16923 1 507 . 1 1 46 46 SER HB3 H 1 3.927 . . 2 . . . . 289 SER HB2 . 16923 1 508 . 1 1 46 46 SER CA C 13 59.690 . . 1 . . . . 289 SER CA . 16923 1 509 . 1 1 46 46 SER CB C 13 63.211 . . 1 . . . . 289 SER CB . 16923 1 510 . 1 1 46 46 SER N N 15 115.584 . . 1 . . . . 289 SER N . 16923 1 511 . 1 1 47 47 ASN H H 1 8.440 . . 1 . . . . 290 ASN HN . 16923 1 512 . 1 1 47 47 ASN HA H 1 4.893 . . 1 . . . . 290 ASN HA . 16923 1 513 . 1 1 47 47 ASN HB2 H 1 2.866 . . 2 . . . . 290 ASN HB1 . 16923 1 514 . 1 1 47 47 ASN HB3 H 1 2.866 . . 2 . . . . 290 ASN HB2 . 16923 1 515 . 1 1 47 47 ASN HD21 H 1 7.779 . . 2 . . . . 290 ASN HD21 . 16923 1 516 . 1 1 47 47 ASN HD22 H 1 6.795 . . 2 . . . . 290 ASN HD22 . 16923 1 517 . 1 1 47 47 ASN CA C 13 53.711 . . 1 . . . . 290 ASN CA . 16923 1 518 . 1 1 47 47 ASN CB C 13 39.057 . . 1 . . . . 290 ASN CB . 16923 1 519 . 1 1 47 47 ASN N N 15 119.170 . . 1 . . . . 290 ASN N . 16923 1 520 . 1 1 47 47 ASN ND2 N 15 112.704 . . 1 . . . . 290 ASN ND2 . 16923 1 521 . 1 1 48 48 ILE H H 1 7.852 . . 1 . . . . 291 ILE HN . 16923 1 522 . 1 1 48 48 ILE HA H 1 4.311 . . 1 . . . . 291 ILE HA . 16923 1 523 . 1 1 48 48 ILE HB H 1 1.901 . . 1 . . . . 291 ILE HB . 16923 1 524 . 1 1 48 48 ILE HD11 H 1 0.886 . . 1 . . . . 291 ILE HD11 . 16923 1 525 . 1 1 48 48 ILE HD12 H 1 0.886 . . 1 . . . . 291 ILE HD11 . 16923 1 526 . 1 1 48 48 ILE HD13 H 1 0.886 . . 1 . . . . 291 ILE HD11 . 16923 1 527 . 1 1 48 48 ILE HG12 H 1 1.461 . . 1 . . . . 291 ILE HG11 . 16923 1 528 . 1 1 48 48 ILE HG13 H 1 1.205 . . 1 . . . . 291 ILE HG12 . 16923 1 529 . 1 1 48 48 ILE HG21 H 1 0.894 . . 2 . . . . 291 ILE HG21 . 16923 1 530 . 1 1 48 48 ILE HG22 H 1 0.894 . . 2 . . . . 291 ILE HG21 . 16923 1 531 . 1 1 48 48 ILE HG23 H 1 0.894 . . 2 . . . . 291 ILE HG21 . 16923 1 532 . 1 1 48 48 ILE CA C 13 60.367 . . 1 . . . . 291 ILE CA . 16923 1 533 . 1 1 48 48 ILE CB C 13 39.515 . . 1 . . . . 291 ILE CB . 16923 1 534 . 1 1 48 48 ILE CD1 C 13 13.200 . . 1 . . . . 291 ILE CD1 . 16923 1 535 . 1 1 48 48 ILE CG1 C 13 27.236 . . 2 . . . . 291 ILE CG1 . 16923 1 536 . 1 1 48 48 ILE CG2 C 13 17.587 . . 1 . . . . 291 ILE CG2 . 16923 1 537 . 1 1 48 48 ILE N N 15 119.000 . . 1 . . . . 291 ILE N . 16923 1 538 . 1 1 49 49 ASN H H 1 8.685 . . 1 . . . . 292 ASN HN . 16923 1 539 . 1 1 49 49 ASN HA H 1 4.884 . . 1 . . . . 292 ASN HA . 16923 1 540 . 1 1 49 49 ASN HB2 H 1 3.060 . . 2 . . . . 292 ASN HB1 . 16923 1 541 . 1 1 49 49 ASN HB3 H 1 2.775 . . 2 . . . . 292 ASN HB2 . 16923 1 542 . 1 1 49 49 ASN HD21 H 1 7.655 . . 2 . . . . 292 ASN HD21 . 16923 1 543 . 1 1 49 49 ASN HD22 H 1 6.984 . . 2 . . . . 292 ASN HD22 . 16923 1 544 . 1 1 49 49 ASN CA C 13 52.500 . . 1 . . . . 292 ASN CA . 16923 1 545 . 1 1 49 49 ASN CB C 13 38.151 . . 1 . . . . 292 ASN CB . 16923 1 546 . 1 1 49 49 ASN N N 15 123.010 . . 1 . . . . 292 ASN N . 16923 1 547 . 1 1 49 49 ASN ND2 N 15 111.692 . . 1 . . . . 292 ASN ND2 . 16923 1 548 . 1 1 50 50 CYS H H 1 8.959 . . 1 . . . . 293 CYS HN . 16923 1 549 . 1 1 50 50 CYS HA H 1 4.374 . . 1 . . . . 293 CYS HA . 16923 1 550 . 1 1 50 50 CYS HB2 H 1 2.924 . . 2 . . . . 293 CYS HB1 . 16923 1 551 . 1 1 50 50 CYS HB3 H 1 2.924 . . 2 . . . . 293 CYS HB2 . 16923 1 552 . 1 1 50 50 CYS CA C 13 60.096 . . 1 . . . . 293 CYS CA . 16923 1 553 . 1 1 50 50 CYS CB C 13 26.922 . . 1 . . . . 293 CYS CB . 16923 1 554 . 1 1 50 50 CYS N N 15 124.756 . . 1 . . . . 293 CYS N . 16923 1 555 . 1 1 51 51 GLU H H 1 8.219 . . 1 . . . . 294 GLU HN . 16923 1 556 . 1 1 51 51 GLU HA H 1 4.176 . . 1 . . . . 294 GLU HA . 16923 1 557 . 1 1 51 51 GLU HB2 H 1 2.068 . . 2 . . . . 294 GLU HB1 . 16923 1 558 . 1 1 51 51 GLU HB3 H 1 2.068 . . 2 . . . . 294 GLU HB2 . 16923 1 559 . 1 1 51 51 GLU HG2 H 1 2.325 . . 2 . . . . 294 GLU HG1 . 16923 1 560 . 1 1 51 51 GLU HG3 H 1 2.325 . . 2 . . . . 294 GLU HG2 . 16923 1 561 . 1 1 51 51 GLU CA C 13 58.065 . . 1 . . . . 294 GLU CA . 16923 1 562 . 1 1 51 51 GLU CB C 13 29.495 . . 1 . . . . 294 GLU CB . 16923 1 563 . 1 1 51 51 GLU CG C 13 36.245 . . 1 . . . . 294 GLU CG . 16923 1 564 . 1 1 51 51 GLU N N 15 120.777 . . 1 . . . . 294 GLU N . 16923 1 565 . 1 1 52 52 GLU H H 1 8.405 . . 1 . . . . 295 GLU HN . 16923 1 566 . 1 1 52 52 GLU HA H 1 4.274 . . 1 . . . . 295 GLU HA . 16923 1 567 . 1 1 52 52 GLU HB2 H 1 1.963 . . 2 . . . . 295 GLU HB1 . 16923 1 568 . 1 1 52 52 GLU HB3 H 1 2.129 . . 2 . . . . 295 GLU HB2 . 16923 1 569 . 1 1 52 52 GLU HG2 H 1 2.247 . . 2 . . . . 295 GLU HG1 . 16923 1 570 . 1 1 52 52 GLU HG3 H 1 2.247 . . 2 . . . . 295 GLU HG2 . 16923 1 571 . 1 1 52 52 GLU CA C 13 56.847 . . 1 . . . . 295 GLU CA . 16923 1 572 . 1 1 52 52 GLU CB C 13 29.324 . . 1 . . . . 295 GLU CB . 16923 1 573 . 1 1 52 52 GLU CG C 13 36.289 . . 1 . . . . 295 GLU CG . 16923 1 574 . 1 1 52 52 GLU N N 15 118.695 . . 1 . . . . 295 GLU N . 16923 1 575 . 1 1 53 53 LEU H H 1 7.696 . . 1 . . . . 296 LEU HN . 16923 1 576 . 1 1 53 53 LEU HA H 1 4.252 . . 1 . . . . 296 LEU HA . 16923 1 577 . 1 1 53 53 LEU HB2 H 1 1.457 . . 2 . . . . 296 LEU HB1 . 16923 1 578 . 1 1 53 53 LEU HB3 H 1 1.721 . . 2 . . . . 296 LEU HB2 . 16923 1 579 . 1 1 53 53 LEU HD11 H 1 0.753 . . 2 . . . . 296 LEU HD11 . 16923 1 580 . 1 1 53 53 LEU HD12 H 1 0.753 . . 2 . . . . 296 LEU HD11 . 16923 1 581 . 1 1 53 53 LEU HD13 H 1 0.753 . . 2 . . . . 296 LEU HD11 . 16923 1 582 . 1 1 53 53 LEU HD21 H 1 0.804 . . 2 . . . . 296 LEU HD21 . 16923 1 583 . 1 1 53 53 LEU HD22 H 1 0.804 . . 2 . . . . 296 LEU HD21 . 16923 1 584 . 1 1 53 53 LEU HD23 H 1 0.804 . . 2 . . . . 296 LEU HD21 . 16923 1 585 . 1 1 53 53 LEU HG H 1 1.582 . . 1 . . . . 296 LEU HG . 16923 1 586 . 1 1 53 53 LEU CA C 13 55.222 . . 1 . . . . 296 LEU CA . 16923 1 587 . 1 1 53 53 LEU CB C 13 42.222 . . 1 . . . . 296 LEU CB . 16923 1 588 . 1 1 53 53 LEU CD1 C 13 22.312 . . 1 . . . . 296 LEU CD1 . 16923 1 589 . 1 1 53 53 LEU CD2 C 13 25.695 . . 1 . . . . 296 LEU CD2 . 16923 1 590 . 1 1 53 53 LEU CG C 13 26.840 . . 1 . . . . 296 LEU CG . 16923 1 591 . 1 1 53 53 LEU N N 15 119.875 . . 1 . . . . 296 LEU N . 16923 1 592 . 1 1 54 54 GLY H H 1 7.751 . . 1 . . . . 297 GLY HN . 16923 1 593 . 1 1 54 54 GLY HA2 H 1 3.882 . . 2 . . . . 297 GLY HA1 . 16923 1 594 . 1 1 54 54 GLY HA3 H 1 4.309 . . 2 . . . . 297 GLY HA2 . 16923 1 595 . 1 1 54 54 GLY CA C 13 44.254 . . 1 . . . . 297 GLY CA . 16923 1 596 . 1 1 54 54 GLY N N 15 107.637 . . 1 . . . . 297 GLY N . 16923 1 597 . 1 1 55 55 PRO HA H 1 4.486 . . 1 . . . . 298 PRO HA . 16923 1 598 . 1 1 55 55 PRO HB2 H 1 1.950 . . 2 . . . . 298 PRO HB1 . 16923 1 599 . 1 1 55 55 PRO HB3 H 1 2.310 . . 2 . . . . 298 PRO HB2 . 16923 1 600 . 1 1 55 55 PRO HD2 H 1 3.598 . . 2 . . . . 298 PRO HD1 . 16923 1 601 . 1 1 55 55 PRO HD3 H 1 3.550 . . 2 . . . . 298 PRO HD2 . 16923 1 602 . 1 1 55 55 PRO HG2 H 1 2.003 . . 2 . . . . 298 PRO HG1 . 16923 1 603 . 1 1 55 55 PRO HG3 H 1 2.003 . . 2 . . . . 298 PRO HG2 . 16923 1 604 . 1 1 55 55 PRO CA C 13 62.263 . . 1 . . . . 298 PRO CA . 16923 1 605 . 1 1 55 55 PRO CB C 13 32.030 . . 1 . . . . 298 PRO CB . 16923 1 606 . 1 1 55 55 PRO CD C 13 49.176 . . 1 . . . . 298 PRO CD . 16923 1 607 . 1 1 55 55 PRO CG C 13 26.954 . . 1 . . . . 298 PRO CG . 16923 1 608 . 1 1 55 55 PRO N N 15 133.937 . . 1 . . . . 298 PRO N . 16923 1 609 . 1 1 56 56 LEU H H 1 8.706 . . 1 . . . . 299 LEU HN . 16923 1 610 . 1 1 56 56 LEU HA H 1 4.082 . . 1 . . . . 299 LEU HA . 16923 1 611 . 1 1 56 56 LEU HB2 H 1 1.585 . . 2 . . . . 299 LEU HB1 . 16923 1 612 . 1 1 56 56 LEU HB3 H 1 1.728 . . 2 . . . . 299 LEU HB2 . 16923 1 613 . 1 1 56 56 LEU HD11 H 1 1.064 . . 2 . . . . 299 LEU HD11 . 16923 1 614 . 1 1 56 56 LEU HD12 H 1 1.064 . . 2 . . . . 299 LEU HD11 . 16923 1 615 . 1 1 56 56 LEU HD13 H 1 1.064 . . 2 . . . . 299 LEU HD11 . 16923 1 616 . 1 1 56 56 LEU HD21 H 1 0.876 . . 2 . . . . 299 LEU HD21 . 16923 1 617 . 1 1 56 56 LEU HD22 H 1 0.876 . . 2 . . . . 299 LEU HD21 . 16923 1 618 . 1 1 56 56 LEU HD23 H 1 0.876 . . 2 . . . . 299 LEU HD21 . 16923 1 619 . 1 1 56 56 LEU HG H 1 1.780 . . 1 . . . . 299 LEU HG . 16923 1 620 . 1 1 56 56 LEU CA C 13 53.461 . . 1 . . . . 299 LEU CA . 16923 1 621 . 1 1 56 56 LEU CB C 13 41.681 . . 1 . . . . 299 LEU CB . 16923 1 622 . 1 1 56 56 LEU CD1 C 13 25.387 . . 1 . . . . 299 LEU CD1 . 16923 1 623 . 1 1 56 56 LEU CD2 C 13 24.116 . . 1 . . . . 299 LEU CD2 . 16923 1 624 . 1 1 56 56 LEU CG C 13 27.070 . . 1 . . . . 299 LEU CG . 16923 1 625 . 1 1 56 56 LEU N N 15 123.617 . . 1 . . . . 299 LEU N . 16923 1 626 . 1 1 57 57 PRO HA H 1 4.740 . . 1 . . . . 300 PRO HA . 16923 1 627 . 1 1 57 57 PRO HB2 H 1 2.461 . . 2 . . . . 300 PRO HB1 . 16923 1 628 . 1 1 57 57 PRO HB3 H 1 1.917 . . 2 . . . . 300 PRO HB2 . 16923 1 629 . 1 1 57 57 PRO HD2 H 1 2.740 . . 2 . . . . 300 PRO HD1 . 16923 1 630 . 1 1 57 57 PRO HD3 H 1 3.330 . . 2 . . . . 300 PRO HD2 . 16923 1 631 . 1 1 57 57 PRO HG2 H 1 1.676 . . 2 . . . . 300 PRO HG1 . 16923 1 632 . 1 1 57 57 PRO HG3 H 1 1.286 . . 2 . . . . 300 PRO HG2 . 16923 1 633 . 1 1 57 57 PRO CA C 13 61.299 . . 1 . . . . 300 PRO CA . 16923 1 634 . 1 1 57 57 PRO CB C 13 29.606 . . 1 . . . . 300 PRO CB . 16923 1 635 . 1 1 57 57 PRO CD C 13 49.909 . . 1 . . . . 300 PRO CD . 16923 1 636 . 1 1 57 57 PRO CG C 13 26.838 . . 1 . . . . 300 PRO CG . 16923 1 637 . 1 1 57 57 PRO N N 15 136.635 . . 1 . . . . 300 PRO N . 16923 1 638 . 1 1 58 58 PRO HA H 1 4.538 . . 1 . . . . 301 PRO HA . 16923 1 639 . 1 1 58 58 PRO HB2 H 1 2.424 . . 2 . . . . 301 PRO HB1 . 16923 1 640 . 1 1 58 58 PRO HB3 H 1 2.054 . . 2 . . . . 301 PRO HB2 . 16923 1 641 . 1 1 58 58 PRO HD2 H 1 3.682 . . 2 . . . . 301 PRO HD1 . 16923 1 642 . 1 1 58 58 PRO HD3 H 1 3.934 . . 2 . . . . 301 PRO HD2 . 16923 1 643 . 1 1 58 58 PRO HG2 H 1 2.193 . . 2 . . . . 301 PRO HG2 . 16923 1 644 . 1 1 58 58 PRO CA C 13 63.696 . . 1 . . . . 301 PRO CA . 16923 1 645 . 1 1 58 58 PRO CB C 13 31.811 . . 1 . . . . 301 PRO CB . 16923 1 646 . 1 1 58 58 PRO CD C 13 50.350 . . 1 . . . . 301 PRO CD . 16923 1 647 . 1 1 58 58 PRO CG C 13 27.752 . . 1 . . . . 301 PRO CG . 16923 1 648 . 1 1 58 58 PRO N N 15 134.850 . . 1 . . . . 301 PRO N . 16923 1 649 . 1 1 59 59 GLY H H 1 9.045 . . 1 . . . . 302 GLY HN . 16923 1 650 . 1 1 59 59 GLY HA2 H 1 3.890 . . 2 . . . . 302 GLY HA1 . 16923 1 651 . 1 1 59 59 GLY HA3 H 1 4.302 . . 2 . . . . 302 GLY HA2 . 16923 1 652 . 1 1 59 59 GLY CA C 13 45.898 . . 1 . . . . 302 GLY CA . 16923 1 653 . 1 1 59 59 GLY N N 15 112.441 . . 1 . . . . 302 GLY N . 16923 1 654 . 1 1 60 60 TRP H H 1 7.658 . . 1 . . . . 303 TRP HN . 16923 1 655 . 1 1 60 60 TRP HA H 1 6.083 . . 1 . . . . 303 TRP HA . 16923 1 656 . 1 1 60 60 TRP HB2 H 1 3.170 . . 2 . . . . 303 TRP HB1 . 16923 1 657 . 1 1 60 60 TRP HB3 H 1 3.302 . . 2 . . . . 303 TRP HB2 . 16923 1 658 . 1 1 60 60 TRP HD1 H 1 7.121 . . 1 . . . . 303 TRP HD1 . 16923 1 659 . 1 1 60 60 TRP HE1 H 1 10.183 . . 3 . . . . 303 TRP HE1 . 16923 1 660 . 1 1 60 60 TRP HE3 H 1 7.380 . . 3 . . . . 303 TRP HE3 . 16923 1 661 . 1 1 60 60 TRP HH2 H 1 7.237 . . 1 . . . . 303 TRP HH2 . 16923 1 662 . 1 1 60 60 TRP HZ2 H 1 7.446 . . 3 . . . . 303 TRP HZ2 . 16923 1 663 . 1 1 60 60 TRP HZ3 H 1 6.658 . . 3 . . . . 303 TRP HZ3 . 16923 1 664 . 1 1 60 60 TRP CA C 13 56.169 . . 1 . . . . 303 TRP CA . 16923 1 665 . 1 1 60 60 TRP CB C 13 31.661 . . 1 . . . . 303 TRP CB . 16923 1 666 . 1 1 60 60 TRP CD1 C 13 127.118 . . 3 . . . . 303 TRP CD1 . 16923 1 667 . 1 1 60 60 TRP CE3 C 13 119.000 . . 3 . . . . 303 TRP CE3 . 16923 1 668 . 1 1 60 60 TRP CH2 C 13 123.608 . . 1 . . . . 303 TRP CH2 . 16923 1 669 . 1 1 60 60 TRP CZ2 C 13 115.879 . . 3 . . . . 303 TRP CZ2 . 16923 1 670 . 1 1 60 60 TRP CZ3 C 13 119.531 . . 3 . . . . 303 TRP CZ3 . 16923 1 671 . 1 1 60 60 TRP N N 15 117.768 . . 1 . . . . 303 TRP N . 16923 1 672 . 1 1 60 60 TRP NE1 N 15 129.980 . . 1 . . . . 303 TRP NE1 . 16923 1 673 . 1 1 61 61 GLU H H 1 9.612 . . 1 . . . . 304 GLU HN . 16923 1 674 . 1 1 61 61 GLU HA H 1 4.801 . . 1 . . . . 304 GLU HA . 16923 1 675 . 1 1 61 61 GLU HB2 H 1 2.157 . . 2 . . . . 304 GLU HB1 . 16923 1 676 . 1 1 61 61 GLU HB3 H 1 1.932 . . 2 . . . . 304 GLU HB2 . 16923 1 677 . 1 1 61 61 GLU HG2 H 1 2.164 . . 2 . . . . 304 GLU HG1 . 16923 1 678 . 1 1 61 61 GLU HG3 H 1 2.490 . . 2 . . . . 304 GLU HG2 . 16923 1 679 . 1 1 61 61 GLU CA C 13 54.815 . . 1 . . . . 304 GLU CA . 16923 1 680 . 1 1 61 61 GLU CB C 13 35.492 . . 1 . . . . 304 GLU CB . 16923 1 681 . 1 1 61 61 GLU CG C 13 35.965 . . 1 . . . . 304 GLU CG . 16923 1 682 . 1 1 61 61 GLU N N 15 122.548 . . 1 . . . . 304 GLU N . 16923 1 683 . 1 1 62 62 ILE H H 1 8.724 . . 1 . . . . 305 ILE HN . 16923 1 684 . 1 1 62 62 ILE HA H 1 4.417 . . 1 . . . . 305 ILE HA . 16923 1 685 . 1 1 62 62 ILE HB H 1 1.606 . . 1 . . . . 305 ILE HB . 16923 1 686 . 1 1 62 62 ILE HD11 H 1 0.995 . . 1 . . . . 305 ILE HD11 . 16923 1 687 . 1 1 62 62 ILE HD12 H 1 0.995 . . 1 . . . . 305 ILE HD11 . 16923 1 688 . 1 1 62 62 ILE HD13 H 1 0.995 . . 1 . . . . 305 ILE HD11 . 16923 1 689 . 1 1 62 62 ILE HG12 H 1 1.600 . . 1 . . . . 305 ILE HG11 . 16923 1 690 . 1 1 62 62 ILE HG13 H 1 0.930 . . 1 . . . . 305 ILE HG12 . 16923 1 691 . 1 1 62 62 ILE HG21 H 1 0.732 . . 2 . . . . 305 ILE HG21 . 16923 1 692 . 1 1 62 62 ILE HG22 H 1 0.732 . . 2 . . . . 305 ILE HG21 . 16923 1 693 . 1 1 62 62 ILE HG23 H 1 0.732 . . 2 . . . . 305 ILE HG21 . 16923 1 694 . 1 1 62 62 ILE CA C 13 61.179 . . 1 . . . . 305 ILE CA . 16923 1 695 . 1 1 62 62 ILE CB C 13 39.515 . . 1 . . . . 305 ILE CB . 16923 1 696 . 1 1 62 62 ILE CD1 C 13 14.000 . . 1 . . . . 305 ILE CD1 . 16923 1 697 . 1 1 62 62 ILE CG1 C 13 28.675 . . 2 . . . . 305 ILE CG1 . 16923 1 698 . 1 1 62 62 ILE CG2 C 13 17.162 . . 1 . . . . 305 ILE CG2 . 16923 1 699 . 1 1 62 62 ILE N N 15 125.946 . . 1 . . . . 305 ILE N . 16923 1 700 . 1 1 63 63 ARG H H 1 8.243 . . 1 . . . . 306 ARG HN . 16923 1 701 . 1 1 63 63 ARG HA H 1 4.508 . . 1 . . . . 306 ARG HA . 16923 1 702 . 1 1 63 63 ARG HB2 H 1 0.185 . . 2 . . . . 306 ARG HB1 . 16923 1 703 . 1 1 63 63 ARG HB3 H 1 1.561 . . 2 . . . . 306 ARG HB2 . 16923 1 704 . 1 1 63 63 ARG HD2 H 1 2.731 . . 2 . . . . 306 ARG HD1 . 16923 1 705 . 1 1 63 63 ARG HD3 H 1 3.102 . . 2 . . . . 306 ARG HD2 . 16923 1 706 . 1 1 63 63 ARG HE H 1 7.399 . . 1 . . . . 306 ARG HE . 16923 1 707 . 1 1 63 63 ARG HG2 H 1 1.033 . . 2 . . . . 306 ARG HG1 . 16923 1 708 . 1 1 63 63 ARG HG3 H 1 1.694 . . 2 . . . . 306 ARG HG2 . 16923 1 709 . 1 1 63 63 ARG CA C 13 54.373 . . 1 . . . . 306 ARG CA . 16923 1 710 . 1 1 63 63 ARG CB C 13 34.868 . . 1 . . . . 306 ARG CB . 16923 1 711 . 1 1 63 63 ARG CD C 13 43.969 . . 1 . . . . 306 ARG CD . 16923 1 712 . 1 1 63 63 ARG CG C 13 28.764 . . 1 . . . . 306 ARG CG . 16923 1 713 . 1 1 63 63 ARG N N 15 126.925 . . 1 . . . . 306 ARG N . 16923 1 714 . 1 1 63 63 ARG NE N 15 87.160 . . 1 . . . . 306 ARG NE . 16923 1 715 . 1 1 64 64 ASN H H 1 8.231 . . 1 . . . . 307 ASN HN . 16923 1 716 . 1 1 64 64 ASN HA H 1 5.870 . . 1 . . . . 307 ASN HA . 16923 1 717 . 1 1 64 64 ASN HB2 H 1 2.505 . . 2 . . . . 307 ASN HB1 . 16923 1 718 . 1 1 64 64 ASN HB3 H 1 2.505 . . 2 . . . . 307 ASN HB2 . 16923 1 719 . 1 1 64 64 ASN HD21 H 1 7.054 . . 2 . . . . 307 ASN HD21 . 16923 1 720 . 1 1 64 64 ASN HD22 H 1 6.781 . . 2 . . . . 307 ASN HD22 . 16923 1 721 . 1 1 64 64 ASN CA C 13 51.701 . . 1 . . . . 307 ASN CA . 16923 1 722 . 1 1 64 64 ASN CB C 13 42.358 . . 1 . . . . 307 ASN CB . 16923 1 723 . 1 1 64 64 ASN N N 15 114.257 . . 1 . . . . 307 ASN N . 16923 1 724 . 1 1 64 64 ASN ND2 N 15 111.332 . . 1 . . . . 307 ASN ND2 . 16923 1 725 . 1 1 65 65 THR H H 1 9.537 . . 1 . . . . 308 THR HN . 16923 1 726 . 1 1 65 65 THR HA H 1 4.714 . . 1 . . . . 308 THR HA . 16923 1 727 . 1 1 65 65 THR HB H 1 4.864 . . 1 . . . . 308 THR HB . 16923 1 728 . 1 1 65 65 THR HG21 H 1 1.412 . . 1 . . . . 308 THR HG21 . 16923 1 729 . 1 1 65 65 THR HG22 H 1 1.412 . . 1 . . . . 308 THR HG21 . 16923 1 730 . 1 1 65 65 THR HG23 H 1 1.412 . . 1 . . . . 308 THR HG21 . 16923 1 731 . 1 1 65 65 THR CA C 13 60.773 . . 1 . . . . 308 THR CA . 16923 1 732 . 1 1 65 65 THR CB C 13 71.064 . . 1 . . . . 308 THR CB . 16923 1 733 . 1 1 65 65 THR CG2 C 13 22.260 . . 1 . . . . 308 THR CG2 . 16923 1 734 . 1 1 65 65 THR N N 15 113.531 . . 1 . . . . 308 THR N . 16923 1 735 . 1 1 66 66 ALA HA H 1 4.285 . . 1 . . . . 309 ALA HA . 16923 1 736 . 1 1 66 66 ALA HB1 H 1 1.581 . . 1 . . . . 309 ALA HB1 . 16923 1 737 . 1 1 66 66 ALA HB2 H 1 1.581 . . 1 . . . . 309 ALA HB1 . 16923 1 738 . 1 1 66 66 ALA HB3 H 1 1.581 . . 1 . . . . 309 ALA HB1 . 16923 1 739 . 1 1 66 66 ALA CA C 13 54.645 . . 1 . . . . 309 ALA CA . 16923 1 740 . 1 1 66 66 ALA CB C 13 18.520 . . 1 . . . . 309 ALA CB . 16923 1 741 . 1 1 66 66 ALA N N 15 123.863 . . 1 . . . . 309 ALA N . 16923 1 742 . 1 1 67 67 THR HA H 1 4.455 . . 1 . . . . 310 THR HA . 16923 1 743 . 1 1 67 67 THR HB H 1 4.601 . . 1 . . . . 310 THR HB . 16923 1 744 . 1 1 67 67 THR HG21 H 1 1.230 . . 1 . . . . 310 THR HG21 . 16923 1 745 . 1 1 67 67 THR HG22 H 1 1.230 . . 1 . . . . 310 THR HG21 . 16923 1 746 . 1 1 67 67 THR HG23 H 1 1.230 . . 1 . . . . 310 THR HG21 . 16923 1 747 . 1 1 67 67 THR CA C 13 60.909 . . 1 . . . . 310 THR CA . 16923 1 748 . 1 1 67 67 THR CB C 13 68.762 . . 1 . . . . 310 THR CB . 16923 1 749 . 1 1 67 67 THR CG2 C 13 21.770 . . 1 . . . . 310 THR CG2 . 16923 1 750 . 1 1 67 67 THR N N 15 104.344 . . 1 . . . . 310 THR N . 16923 1 751 . 1 1 68 68 GLY H H 1 8.023 . . 1 . . . . 311 GLY HN . 16923 1 752 . 1 1 68 68 GLY HA2 H 1 3.692 . . 2 . . . . 311 GLY HA1 . 16923 1 753 . 1 1 68 68 GLY HA3 H 1 4.342 . . 2 . . . . 311 GLY HA2 . 16923 1 754 . 1 1 68 68 GLY CA C 13 45.337 . . 1 . . . . 311 GLY CA . 16923 1 755 . 1 1 68 68 GLY N N 15 110.308 . . 1 . . . . 311 GLY N . 16923 1 756 . 1 1 69 69 ARG H H 1 7.529 . . 1 . . . . 312 ARG HN . 16923 1 757 . 1 1 69 69 ARG HA H 1 4.536 . . 1 . . . . 312 ARG HA . 16923 1 758 . 1 1 69 69 ARG HB2 H 1 1.976 . . 2 . . . . 312 ARG HB1 . 16923 1 759 . 1 1 69 69 ARG HB3 H 1 1.815 . . 2 . . . . 312 ARG HB2 . 16923 1 760 . 1 1 69 69 ARG HD2 H 1 3.024 . . 2 . . . . 312 ARG HD1 . 16923 1 761 . 1 1 69 69 ARG HD3 H 1 3.024 . . 2 . . . . 312 ARG HD2 . 16923 1 762 . 1 1 69 69 ARG HG2 H 1 1.731 . . 2 . . . . 312 ARG HG1 . 16923 1 763 . 1 1 69 69 ARG HG3 H 1 1.731 . . 2 . . . . 312 ARG HG2 . 16923 1 764 . 1 1 69 69 ARG CA C 13 55.899 . . 1 . . . . 312 ARG CA . 16923 1 765 . 1 1 69 69 ARG CB C 13 30.578 . . 1 . . . . 312 ARG CB . 16923 1 766 . 1 1 69 69 ARG CD C 13 43.445 . . 1 . . . . 312 ARG CD . 16923 1 767 . 1 1 69 69 ARG CG C 13 26.609 . . 1 . . . . 312 ARG CG . 16923 1 768 . 1 1 69 69 ARG N N 15 121.760 . . 1 . . . . 312 ARG N . 16923 1 769 . 1 1 70 70 VAL H H 1 8.489 . . 1 . . . . 313 VAL HN . 16923 1 770 . 1 1 70 70 VAL HA H 1 4.747 . . 1 . . . . 313 VAL HA . 16923 1 771 . 1 1 70 70 VAL HB H 1 1.970 . . 1 . . . . 313 VAL HB . 16923 1 772 . 1 1 70 70 VAL HG11 H 1 0.805 . . 2 . . . . 313 VAL HG11 . 16923 1 773 . 1 1 70 70 VAL HG12 H 1 0.805 . . 2 . . . . 313 VAL HG11 . 16923 1 774 . 1 1 70 70 VAL HG13 H 1 0.805 . . 2 . . . . 313 VAL HG11 . 16923 1 775 . 1 1 70 70 VAL HG21 H 1 1.004 . . 2 . . . . 313 VAL HG21 . 16923 1 776 . 1 1 70 70 VAL HG22 H 1 1.004 . . 2 . . . . 313 VAL HG21 . 16923 1 777 . 1 1 70 70 VAL HG23 H 1 1.004 . . 2 . . . . 313 VAL HG21 . 16923 1 778 . 1 1 70 70 VAL CA C 13 62.127 . . 1 . . . . 313 VAL CA . 16923 1 779 . 1 1 70 70 VAL CB C 13 33.151 . . 1 . . . . 313 VAL CB . 16923 1 780 . 1 1 70 70 VAL CG1 C 13 21.931 . . 1 . . . . 313 VAL CG1 . 16923 1 781 . 1 1 70 70 VAL CG2 C 13 21.931 . . 1 . . . . 313 VAL CG2 . 16923 1 782 . 1 1 70 70 VAL N N 15 125.836 . . 1 . . . . 313 VAL N . 16923 1 783 . 1 1 71 71 TYR H H 1 8.776 . . 1 . . . . 314 TYR HN . 16923 1 784 . 1 1 71 71 TYR HA H 1 5.069 . . 1 . . . . 314 TYR HA . 16923 1 785 . 1 1 71 71 TYR HB2 H 1 2.835 . . 2 . . . . 314 TYR HB1 . 16923 1 786 . 1 1 71 71 TYR HB3 H 1 3.126 . . 2 . . . . 314 TYR HB2 . 16923 1 787 . 1 1 71 71 TYR HD1 H 1 6.849 . . 3 . . . . 314 TYR HD1 . 16923 1 788 . 1 1 71 71 TYR HD2 H 1 6.849 . . 3 . . . . 314 TYR HD2 . 16923 1 789 . 1 1 71 71 TYR HE1 H 1 6.319 . . 3 . . . . 314 TYR HE1 . 16923 1 790 . 1 1 71 71 TYR HE2 H 1 6.319 . . 3 . . . . 314 TYR HE2 . 16923 1 791 . 1 1 71 71 TYR CA C 13 56.576 . . 1 . . . . 314 TYR CA . 16923 1 792 . 1 1 71 71 TYR CB C 13 39.921 . . 1 . . . . 314 TYR CB . 16923 1 793 . 1 1 71 71 TYR CD1 C 13 132.930 . . 3 . . . . 314 TYR CD1 . 16923 1 794 . 1 1 71 71 TYR CD2 C 13 132.930 . . 3 . . . . 314 TYR CD2 . 16923 1 795 . 1 1 71 71 TYR CE1 C 13 117.500 . . 3 . . . . 314 TYR CE1 . 16923 1 796 . 1 1 71 71 TYR CE2 C 13 117.500 . . 3 . . . . 314 TYR CE2 . 16923 1 797 . 1 1 71 71 TYR N N 15 120.401 . . 1 . . . . 314 TYR N . 16923 1 798 . 1 1 72 72 PHE H H 1 9.287 . . 1 . . . . 315 PHE HN . 16923 1 799 . 1 1 72 72 PHE HA H 1 5.121 . . 1 . . . . 315 PHE HA . 16923 1 800 . 1 1 72 72 PHE HB2 H 1 3.246 . . 2 . . . . 315 PHE HB1 . 16923 1 801 . 1 1 72 72 PHE HB3 H 1 3.246 . . 2 . . . . 315 PHE HB2 . 16923 1 802 . 1 1 72 72 PHE HD1 H 1 7.117 . . 3 . . . . 315 PHE HD1 . 16923 1 803 . 1 1 72 72 PHE HD2 H 1 7.117 . . 3 . . . . 315 PHE HD2 . 16923 1 804 . 1 1 72 72 PHE HE1 H 1 7.347 . . 3 . . . . 315 PHE HE1 . 16923 1 805 . 1 1 72 72 PHE HE2 H 1 7.347 . . 3 . . . . 315 PHE HE2 . 16923 1 806 . 1 1 72 72 PHE CA C 13 57.659 . . 1 . . . . 315 PHE CA . 16923 1 807 . 1 1 72 72 PHE CB C 13 42.124 . . 1 . . . . 315 PHE CB . 16923 1 808 . 1 1 72 72 PHE CD1 C 13 131.606 . . 3 . . . . 315 PHE CD1 . 16923 1 809 . 1 1 72 72 PHE CD2 C 13 131.606 . . 3 . . . . 315 PHE CD2 . 16923 1 810 . 1 1 72 72 PHE CE1 C 13 131.328 . . 3 . . . . 315 PHE CE1 . 16923 1 811 . 1 1 72 72 PHE CE2 C 13 131.328 . . 3 . . . . 315 PHE CE2 . 16923 1 812 . 1 1 72 72 PHE N N 15 116.470 . . 1 . . . . 315 PHE N . 16923 1 813 . 1 1 73 73 VAL H H 1 9.516 . . 1 . . . . 316 VAL HN . 16923 1 814 . 1 1 73 73 VAL HA H 1 4.528 . . 1 . . . . 316 VAL HA . 16923 1 815 . 1 1 73 73 VAL HB H 1 1.853 . . 1 . . . . 316 VAL HB . 16923 1 816 . 1 1 73 73 VAL HG11 H 1 0.389 . . 2 . . . . 316 VAL HG11 . 16923 1 817 . 1 1 73 73 VAL HG12 H 1 0.389 . . 2 . . . . 316 VAL HG11 . 16923 1 818 . 1 1 73 73 VAL HG13 H 1 0.389 . . 2 . . . . 316 VAL HG11 . 16923 1 819 . 1 1 73 73 VAL HG21 H 1 0.642 . . 2 . . . . 316 VAL HG21 . 16923 1 820 . 1 1 73 73 VAL HG22 H 1 0.642 . . 2 . . . . 316 VAL HG21 . 16923 1 821 . 1 1 73 73 VAL HG23 H 1 0.642 . . 2 . . . . 316 VAL HG21 . 16923 1 822 . 1 1 73 73 VAL CA C 13 60.708 . . 1 . . . . 316 VAL CA . 16923 1 823 . 1 1 73 73 VAL CB C 13 33.940 . . 1 . . . . 316 VAL CB . 16923 1 824 . 1 1 73 73 VAL CG1 C 13 21.475 . . 1 . . . . 316 VAL CG1 . 16923 1 825 . 1 1 73 73 VAL CG2 C 13 21.475 . . 1 . . . . 316 VAL CG2 . 16923 1 826 . 1 1 73 73 VAL N N 15 125.393 . . 1 . . . . 316 VAL N . 16923 1 827 . 1 1 74 74 ASP H H 1 8.494 . . 1 . . . . 317 ASP HN . 16923 1 828 . 1 1 74 74 ASP HA H 1 3.607 . . 1 . . . . 317 ASP HA . 16923 1 829 . 1 1 74 74 ASP HB2 H 1 -0.048 . . 2 . . . . 317 ASP HB1 . 16923 1 830 . 1 1 74 74 ASP HB3 H 1 2.470 . . 2 . . . . 317 ASP HB2 . 16923 1 831 . 1 1 74 74 ASP CA C 13 51.159 . . 1 . . . . 317 ASP CA . 16923 1 832 . 1 1 74 74 ASP CB C 13 38.838 . . 1 . . . . 317 ASP CB . 16923 1 833 . 1 1 74 74 ASP N N 15 125.641 . . 1 . . . . 317 ASP N . 16923 1 834 . 1 1 75 75 HIS H H 1 8.788 . . 1 . . . . 318 HIS HN . 16923 1 835 . 1 1 75 75 HIS HA H 1 4.331 . . 1 . . . . 318 HIS HA . 16923 1 836 . 1 1 75 75 HIS HB2 H 1 3.047 . . 2 . . . . 318 HIS HB1 . 16923 1 837 . 1 1 75 75 HIS HB3 H 1 3.287 . . 2 . . . . 318 HIS HB2 . 16923 1 838 . 1 1 75 75 HIS HD2 H 1 6.898 . . 3 . . . . 318 HIS HD2 . 16923 1 839 . 1 1 75 75 HIS HE1 H 1 7.750 . . 3 . . . . 318 HIS HE1 . 16923 1 840 . 1 1 75 75 HIS CA C 13 58.878 . . 1 . . . . 318 HIS CA . 16923 1 841 . 1 1 75 75 HIS CB C 13 30.443 . . 1 . . . . 318 HIS CB . 16923 1 842 . 1 1 75 75 HIS CD2 C 13 118.004 . . 1 . . . . 318 HIS CD2 . 16923 1 843 . 1 1 75 75 HIS CE1 C 13 138.749 . . 1 . . . . 318 HIS CE1 . 16923 1 844 . 1 1 75 75 HIS N N 15 122.320 . . 1 . . . . 318 HIS N . 16923 1 845 . 1 1 75 75 HIS ND1 N 15 237.955 . . 1 . . . . 318 HIS ND1 . 16923 1 846 . 1 1 75 75 HIS NE2 N 15 165.913 . . 1 . . . . 318 HIS NE2 . 16923 1 847 . 1 1 76 76 ASN H H 1 8.535 . . 1 . . . . 319 ASN HN . 16923 1 848 . 1 1 76 76 ASN HA H 1 4.374 . . 1 . . . . 319 ASN HA . 16923 1 849 . 1 1 76 76 ASN HB2 H 1 2.614 . . 2 . . . . 319 ASN HB1 . 16923 1 850 . 1 1 76 76 ASN HB3 H 1 3.101 . . 2 . . . . 319 ASN HB2 . 16923 1 851 . 1 1 76 76 ASN HD21 H 1 7.959 . . 2 . . . . 319 ASN HD21 . 16923 1 852 . 1 1 76 76 ASN HD22 H 1 7.627 . . 2 . . . . 319 ASN HD22 . 16923 1 853 . 1 1 76 76 ASN CA C 13 55.492 . . 1 . . . . 319 ASN CA . 16923 1 854 . 1 1 76 76 ASN CB C 13 38.025 . . 1 . . . . 319 ASN CB . 16923 1 855 . 1 1 76 76 ASN N N 15 116.965 . . 1 . . . . 319 ASN N . 16923 1 856 . 1 1 76 76 ASN ND2 N 15 118.032 . . 1 . . . . 319 ASN ND2 . 16923 1 857 . 1 1 77 77 ASN H H 1 6.631 . . 1 . . . . 320 ASN HN . 16923 1 858 . 1 1 77 77 ASN HA H 1 4.597 . . 1 . . . . 320 ASN HA . 16923 1 859 . 1 1 77 77 ASN HB2 H 1 2.169 . . 2 . . . . 320 ASN HB1 . 16923 1 860 . 1 1 77 77 ASN HB3 H 1 2.587 . . 2 . . . . 320 ASN HB2 . 16923 1 861 . 1 1 77 77 ASN HD21 H 1 8.370 . . 2 . . . . 320 ASN HD21 . 16923 1 862 . 1 1 77 77 ASN HD22 H 1 6.936 . . 2 . . . . 320 ASN HD22 . 16923 1 863 . 1 1 77 77 ASN CA C 13 52.649 . . 1 . . . . 320 ASN CA . 16923 1 864 . 1 1 77 77 ASN CB C 13 40.462 . . 1 . . . . 320 ASN CB . 16923 1 865 . 1 1 77 77 ASN N N 15 113.784 . . 1 . . . . 320 ASN N . 16923 1 866 . 1 1 77 77 ASN ND2 N 15 117.287 . . 1 . . . . 320 ASN ND2 . 16923 1 867 . 1 1 78 78 ARG H H 1 7.578 . . 1 . . . . 321 ARG HN . 16923 1 868 . 1 1 78 78 ARG HA H 1 2.304 . . 1 . . . . 321 ARG HA . 16923 1 869 . 1 1 78 78 ARG HB2 H 1 0.593 . . 2 . . . . 321 ARG HB1 . 16923 1 870 . 1 1 78 78 ARG HB3 H 1 1.810 . . 2 . . . . 321 ARG HB2 . 16923 1 871 . 1 1 78 78 ARG HD2 H 1 3.024 . . 2 . . . . 321 ARG HD1 . 16923 1 872 . 1 1 78 78 ARG HD3 H 1 3.024 . . 2 . . . . 321 ARG HD2 . 16923 1 873 . 1 1 78 78 ARG HG2 H 1 0.943 . . 2 . . . . 321 ARG HG1 . 16923 1 874 . 1 1 78 78 ARG HG3 H 1 1.096 . . 2 . . . . 321 ARG HG2 . 16923 1 875 . 1 1 78 78 ARG CA C 13 56.711 . . 1 . . . . 321 ARG CA . 16923 1 876 . 1 1 78 78 ARG CB C 13 25.568 . . 1 . . . . 321 ARG CB . 16923 1 877 . 1 1 78 78 ARG CD C 13 43.387 . . 1 . . . . 321 ARG CD . 16923 1 878 . 1 1 78 78 ARG CG C 13 27.125 . . 1 . . . . 321 ARG CG . 16923 1 879 . 1 1 78 78 ARG N N 15 117.873 . . 1 . . . . 321 ARG N . 16923 1 880 . 1 1 79 79 THR H H 1 7.424 . . 1 . . . . 322 THR HN . 16923 1 881 . 1 1 79 79 THR HA H 1 5.731 . . 1 . . . . 322 THR HA . 16923 1 882 . 1 1 79 79 THR HB H 1 4.470 . . 1 . . . . 322 THR HB . 16923 1 883 . 1 1 79 79 THR HG21 H 1 0.829 . . 1 . . . . 322 THR HG21 . 16923 1 884 . 1 1 79 79 THR HG22 H 1 0.829 . . 1 . . . . 322 THR HG21 . 16923 1 885 . 1 1 79 79 THR HG23 H 1 0.829 . . 1 . . . . 322 THR HG21 . 16923 1 886 . 1 1 79 79 THR CA C 13 58.742 . . 1 . . . . 322 THR CA . 16923 1 887 . 1 1 79 79 THR CB C 13 73.095 . . 1 . . . . 322 THR CB . 16923 1 888 . 1 1 79 79 THR CG2 C 13 21.108 . . 1 . . . . 322 THR CG2 . 16923 1 889 . 1 1 79 79 THR N N 15 107.327 . . 1 . . . . 322 THR N . 16923 1 890 . 1 1 80 80 THR H H 1 8.985 . . 1 . . . . 323 THR HN . 16923 1 891 . 1 1 80 80 THR HA H 1 5.380 . . 1 . . . . 323 THR HA . 16923 1 892 . 1 1 80 80 THR HB H 1 4.080 . . 1 . . . . 323 THR HB . 16923 1 893 . 1 1 80 80 THR HG21 H 1 1.191 . . 1 . . . . 323 THR HG21 . 16923 1 894 . 1 1 80 80 THR HG22 H 1 1.191 . . 1 . . . . 323 THR HG21 . 16923 1 895 . 1 1 80 80 THR HG23 H 1 1.191 . . 1 . . . . 323 THR HG21 . 16923 1 896 . 1 1 80 80 THR CA C 13 59.419 . . 1 . . . . 323 THR CA . 16923 1 897 . 1 1 80 80 THR CB C 13 71.741 . . 1 . . . . 323 THR CB . 16923 1 898 . 1 1 80 80 THR CG2 C 13 23.865 . . 1 . . . . 323 THR CG2 . 16923 1 899 . 1 1 80 80 THR N N 15 111.099 . . 1 . . . . 323 THR N . 16923 1 900 . 1 1 81 81 GLN H H 1 8.810 . . 1 . . . . 324 GLN HN . 16923 1 901 . 1 1 81 81 GLN HA H 1 5.350 . . 1 . . . . 324 GLN HA . 16923 1 902 . 1 1 81 81 GLN HB2 H 1 2.757 . . 2 . . . . 324 GLN HB1 . 16923 1 903 . 1 1 81 81 GLN HB3 H 1 2.611 . . 2 . . . . 324 GLN HB2 . 16923 1 904 . 1 1 81 81 GLN HE21 H 1 8.547 . . 2 . . . . 324 GLN HE21 . 16923 1 905 . 1 1 81 81 GLN HE22 H 1 7.389 . . 2 . . . . 324 GLN HE22 . 16923 1 906 . 1 1 81 81 GLN HG2 H 1 2.760 . . 2 . . . . 324 GLN HG1 . 16923 1 907 . 1 1 81 81 GLN HG3 H 1 2.831 . . 2 . . . . 324 GLN HG2 . 16923 1 908 . 1 1 81 81 GLN CA C 13 53.868 . . 1 . . . . 324 GLN CA . 16923 1 909 . 1 1 81 81 GLN CB C 13 32.512 . . 1 . . . . 324 GLN CB . 16923 1 910 . 1 1 81 81 GLN CG C 13 32.380 . . 1 . . . . 324 GLN CG . 16923 1 911 . 1 1 81 81 GLN N N 15 111.110 . . 1 . . . . 324 GLN N . 16923 1 912 . 1 1 81 81 GLN NE2 N 15 115.426 . . 1 . . . . 324 GLN NE2 . 16923 1 913 . 1 1 82 82 PHE H H 1 8.691 . . 1 . . . . 325 PHE HN . 16923 1 914 . 1 1 82 82 PHE HA H 1 5.447 . . 1 . . . . 325 PHE HA . 16923 1 915 . 1 1 82 82 PHE HB2 H 1 2.936 . . 2 . . . . 325 PHE HB1 . 16923 1 916 . 1 1 82 82 PHE HB3 H 1 3.651 . . 2 . . . . 325 PHE HB2 . 16923 1 917 . 1 1 82 82 PHE HD1 H 1 7.540 . . 3 . . . . 325 PHE HD1 . 16923 1 918 . 1 1 82 82 PHE HD2 H 1 7.540 . . 3 . . . . 325 PHE HD2 . 16923 1 919 . 1 1 82 82 PHE HE1 H 1 7.217 . . 3 . . . . 325 PHE HE1 . 16923 1 920 . 1 1 82 82 PHE HE2 H 1 7.217 . . 3 . . . . 325 PHE HE2 . 16923 1 921 . 1 1 82 82 PHE CA C 13 59.284 . . 1 . . . . 325 PHE CA . 16923 1 922 . 1 1 82 82 PHE CB C 13 40.869 . . 1 . . . . 325 PHE CB . 16923 1 923 . 1 1 82 82 PHE CD1 C 13 130.500 . . 3 . . . . 325 PHE CD1 . 16923 1 924 . 1 1 82 82 PHE CD2 C 13 130.792 . . 3 . . . . 325 PHE CD2 . 16923 1 925 . 1 1 82 82 PHE CE1 C 13 130.500 . . 3 . . . . 325 PHE CE1 . 16923 1 926 . 1 1 82 82 PHE CE2 C 13 131.020 . . 3 . . . . 325 PHE CE2 . 16923 1 927 . 1 1 82 82 PHE N N 15 118.591 . . 1 . . . . 325 PHE N . 16923 1 928 . 1 1 83 83 THR H H 1 8.385 . . 1 . . . . 326 THR HN . 16923 1 929 . 1 1 83 83 THR HA H 1 4.551 . . 1 . . . . 326 THR HA . 16923 1 930 . 1 1 83 83 THR HB H 1 4.126 . . 1 . . . . 326 THR HB . 16923 1 931 . 1 1 83 83 THR HG21 H 1 1.287 . . 1 . . . . 326 THR HG21 . 16923 1 932 . 1 1 83 83 THR HG22 H 1 1.287 . . 1 . . . . 326 THR HG21 . 16923 1 933 . 1 1 83 83 THR HG23 H 1 1.287 . . 1 . . . . 326 THR HG21 . 16923 1 934 . 1 1 83 83 THR CA C 13 63.346 . . 1 . . . . 326 THR CA . 16923 1 935 . 1 1 83 83 THR CB C 13 69.168 . . 1 . . . . 326 THR CB . 16923 1 936 . 1 1 83 83 THR CG2 C 13 23.463 . . 1 . . . . 326 THR CG2 . 16923 1 937 . 1 1 83 83 THR N N 15 116.400 . . 1 . . . . 326 THR N . 16923 1 938 . 1 1 84 84 ASP H H 1 8.576 . . 1 . . . . 327 ASP HN . 16923 1 939 . 1 1 84 84 ASP HA H 1 2.350 . . 1 . . . . 327 ASP HA . 16923 1 940 . 1 1 84 84 ASP HB2 H 1 2.561 . . 2 . . . . 327 ASP HB1 . 16923 1 941 . 1 1 84 84 ASP HB3 H 1 2.368 . . 2 . . . . 327 ASP HB2 . 16923 1 942 . 1 1 84 84 ASP CA C 13 51.295 . . 1 . . . . 327 ASP CA . 16923 1 943 . 1 1 84 84 ASP CB C 13 42.223 . . 1 . . . . 327 ASP CB . 16923 1 944 . 1 1 84 84 ASP N N 15 130.419 . . 1 . . . . 327 ASP N . 16923 1 945 . 1 1 85 85 PRO HA H 1 4.053 . . 1 . . . . 328 PRO HA . 16923 1 946 . 1 1 85 85 PRO HB2 H 1 1.058 . . 2 . . . . 328 PRO HB1 . 16923 1 947 . 1 1 85 85 PRO HB3 H 1 1.145 . . 2 . . . . 328 PRO HB2 . 16923 1 948 . 1 1 85 85 PRO HD2 H 1 2.638 . . 2 . . . . 328 PRO HD1 . 16923 1 949 . 1 1 85 85 PRO HD3 H 1 2.955 . . 2 . . . . 328 PRO HD2 . 16923 1 950 . 1 1 85 85 PRO HG2 H 1 0.626 . . 2 . . . . 328 PRO HG1 . 16923 1 951 . 1 1 85 85 PRO HG3 H 1 0.104 . . 2 . . . . 328 PRO HG2 . 16923 1 952 . 1 1 85 85 PRO CA C 13 63.075 . . 1 . . . . 328 PRO CA . 16923 1 953 . 1 1 85 85 PRO CB C 13 31.390 . . 1 . . . . 328 PRO CB . 16923 1 954 . 1 1 85 85 PRO CD C 13 50.472 . . 1 . . . . 328 PRO CD . 16923 1 955 . 1 1 85 85 PRO CG C 13 25.814 . . 1 . . . . 328 PRO CG . 16923 1 956 . 1 1 85 85 PRO N N 15 140.580 . . 1 . . . . 328 PRO N . 16923 1 957 . 1 1 86 86 ARG H H 1 9.052 . . 1 . . . . 329 ARG HN . 16923 1 958 . 1 1 86 86 ARG HA H 1 3.882 . . 1 . . . . 329 ARG HA . 16923 1 959 . 1 1 86 86 ARG HB2 H 1 1.581 . . 2 . . . . 329 ARG HB1 . 16923 1 960 . 1 1 86 86 ARG HB3 H 1 1.827 . . 2 . . . . 329 ARG HB2 . 16923 1 961 . 1 1 86 86 ARG HD2 H 1 2.732 . . 2 . . . . 329 ARG HD1 . 16923 1 962 . 1 1 86 86 ARG HD3 H 1 2.794 . . 2 . . . . 329 ARG HD2 . 16923 1 963 . 1 1 86 86 ARG HE H 1 9.043 . . 1 . . . . 329 ARG HE . 16923 1 964 . 1 1 86 86 ARG HG2 H 1 1.720 . . 2 . . . . 329 ARG HG1 . 16923 1 965 . 1 1 86 86 ARG HG3 H 1 1.166 . . 2 . . . . 329 ARG HG2 . 16923 1 966 . 1 1 86 86 ARG CA C 13 57.253 . . 1 . . . . 329 ARG CA . 16923 1 967 . 1 1 86 86 ARG CB C 13 30.307 . . 1 . . . . 329 ARG CB . 16923 1 968 . 1 1 86 86 ARG CD C 13 43.223 . . 1 . . . . 329 ARG CD . 16923 1 969 . 1 1 86 86 ARG CG C 13 26.609 . . 1 . . . . 329 ARG CG . 16923 1 970 . 1 1 86 86 ARG N N 15 119.632 . . 1 . . . . 329 ARG N . 16923 1 971 . 1 1 86 86 ARG NE N 15 84.464 . . 1 . . . . 329 ARG NE . 16923 1 972 . 1 1 87 87 LEU H H 1 7.197 . . 1 . . . . 330 LEU HN . 16923 1 973 . 1 1 87 87 LEU HA H 1 4.126 . . 1 . . . . 330 LEU HA . 16923 1 974 . 1 1 87 87 LEU HB2 H 1 1.462 . . 2 . . . . 330 LEU HB1 . 16923 1 975 . 1 1 87 87 LEU HB3 H 1 1.696 . . 2 . . . . 330 LEU HB2 . 16923 1 976 . 1 1 87 87 LEU HD11 H 1 1.012 . . 2 . . . . 330 LEU HD11 . 16923 1 977 . 1 1 87 87 LEU HD12 H 1 1.012 . . 2 . . . . 330 LEU HD11 . 16923 1 978 . 1 1 87 87 LEU HD13 H 1 1.012 . . 2 . . . . 330 LEU HD11 . 16923 1 979 . 1 1 87 87 LEU HD21 H 1 0.849 . . 2 . . . . 330 LEU HD21 . 16923 1 980 . 1 1 87 87 LEU HD22 H 1 0.849 . . 2 . . . . 330 LEU HD21 . 16923 1 981 . 1 1 87 87 LEU HD23 H 1 0.849 . . 2 . . . . 330 LEU HD21 . 16923 1 982 . 1 1 87 87 LEU HG H 1 1.525 . . 1 . . . . 330 LEU HG . 16923 1 983 . 1 1 87 87 LEU CA C 13 55.357 . . 1 . . . . 330 LEU CA . 16923 1 984 . 1 1 87 87 LEU CB C 13 42.223 . . 1 . . . . 330 LEU CB . 16923 1 985 . 1 1 87 87 LEU CD1 C 13 26.369 . . 1 . . . . 330 LEU CD1 . 16923 1 986 . 1 1 87 87 LEU CD2 C 13 23.380 . . 1 . . . . 330 LEU CD2 . 16923 1 987 . 1 1 87 87 LEU CG C 13 26.820 . . 1 . . . . 330 LEU CG . 16923 1 988 . 1 1 87 87 LEU N N 15 117.169 . . 1 . . . . 330 LEU N . 16923 1 989 . 1 1 88 88 SER H H 1 7.408 . . 1 . . . . 331 SER HN . 16923 1 990 . 1 1 88 88 SER HA H 1 4.357 . . 1 . . . . 331 SER HA . 16923 1 991 . 1 1 88 88 SER HB2 H 1 3.680 . . 2 . . . . 331 SER HB1 . 16923 1 992 . 1 1 88 88 SER HB3 H 1 3.768 . . 2 . . . . 331 SER HB2 . 16923 1 993 . 1 1 88 88 SER CA C 13 57.659 . . 1 . . . . 331 SER CA . 16923 1 994 . 1 1 88 88 SER CB C 13 63.617 . . 1 . . . . 331 SER CB . 16923 1 995 . 1 1 88 88 SER N N 15 113.336 . . 1 . . . . 331 SER N . 16923 1 996 . 1 1 89 89 ALA H H 1 7.735 . . 1 . . . . 332 ALA HN . 16923 1 997 . 1 1 89 89 ALA HA H 1 4.310 . . 1 . . . . 332 ALA HA . 16923 1 998 . 1 1 89 89 ALA HB1 H 1 1.330 . . 1 . . . . 332 ALA HB1 . 16923 1 999 . 1 1 89 89 ALA HB2 H 1 1.330 . . 1 . . . . 332 ALA HB1 . 16923 1 1000 . 1 1 89 89 ALA HB3 H 1 1.330 . . 1 . . . . 332 ALA HB1 . 16923 1 1001 . 1 1 89 89 ALA CA C 13 52.243 . . 1 . . . . 332 ALA CA . 16923 1 1002 . 1 1 89 89 ALA CB C 13 19.475 . . 1 . . . . 332 ALA CB . 16923 1 1003 . 1 1 89 89 ALA N N 15 125.338 . . 1 . . . . 332 ALA N . 16923 1 1004 . 1 1 90 90 ASN H H 1 7.892 . . 1 . . . . 333 ASN HN . 16923 1 1005 . 1 1 90 90 ASN HA H 1 4.457 . . 1 . . . . 333 ASN HA . 16923 1 1006 . 1 1 90 90 ASN HB2 H 1 2.650 . . 2 . . . . 333 ASN HB1 . 16923 1 1007 . 1 1 90 90 ASN HB3 H 1 2.756 . . 2 . . . . 333 ASN HB2 . 16923 1 1008 . 1 1 90 90 ASN HD21 H 1 7.482 . . 2 . . . . 333 ASN HD21 . 16923 1 1009 . 1 1 90 90 ASN HD22 H 1 6.811 . . 2 . . . . 333 ASN HD22 . 16923 1 1010 . 1 1 90 90 ASN CA C 13 54.680 . . 1 . . . . 333 ASN CA . 16923 1 1011 . 1 1 90 90 ASN CB C 13 40.598 . . 1 . . . . 333 ASN CB . 16923 1 1012 . 1 1 90 90 ASN N N 15 123.429 . . 1 . . . . 333 ASN N . 16923 1 1013 . 1 1 90 90 ASN ND2 N 15 113.073 . . 1 . . . . 333 ASN ND2 . 16923 1 1014 . 2 2 1 1 GLY HA2 H 1 3.860 . . 2 . . . . 198 GLY HA1 . 16923 1 1015 . 2 2 1 1 GLY HA3 H 1 3.494 . . 2 . . . . 198 GLY HA2 . 16923 1 1016 . 2 2 1 1 GLY CA C 13 43.500 . . 1 . . . . 198 GLY CA . 16923 1 1017 . 2 2 2 2 PRO HA H 1 4.540 . . 1 . . . . 199 PRO HA . 16923 1 1018 . 2 2 2 2 PRO CA C 13 62.895 . . 1 . . . . 199 PRO CA . 16923 1 1019 . 2 2 2 2 PRO CB C 13 32.349 . . 1 . . . . 199 PRO CB . 16923 1 1020 . 2 2 3 3 LEU H H 1 8.550 . . 1 . . . . 200 LEU HN . 16923 1 1021 . 2 2 3 3 LEU HA H 1 4.376 . . 1 . . . . 200 LEU HA . 16923 1 1022 . 2 2 3 3 LEU HB2 H 1 1.664 . . 2 . . . . 200 LEU HB1 . 16923 1 1023 . 2 2 3 3 LEU HB3 H 1 1.664 . . 2 . . . . 200 LEU HB2 . 16923 1 1024 . 2 2 3 3 LEU HD11 H 1 0.904 . . 2 . . . . 200 LEU HD11 . 16923 1 1025 . 2 2 3 3 LEU HD12 H 1 0.904 . . 2 . . . . 200 LEU HD11 . 16923 1 1026 . 2 2 3 3 LEU HD13 H 1 0.904 . . 2 . . . . 200 LEU HD11 . 16923 1 1027 . 2 2 3 3 LEU HD21 H 1 0.904 . . 2 . . . . 200 LEU HD21 . 16923 1 1028 . 2 2 3 3 LEU HD22 H 1 0.904 . . 2 . . . . 200 LEU HD21 . 16923 1 1029 . 2 2 3 3 LEU HD23 H 1 0.904 . . 2 . . . . 200 LEU HD21 . 16923 1 1030 . 2 2 3 3 LEU HG H 1 1.664 . . 1 . . . . 200 LEU HG . 16923 1 1031 . 2 2 3 3 LEU CA C 13 55.117 . . 1 . . . . 200 LEU CA . 16923 1 1032 . 2 2 3 3 LEU CB C 13 42.107 . . 1 . . . . 200 LEU CB . 16923 1 1033 . 2 2 3 3 LEU CD1 C 13 23.482 . . 1 . . . . 200 LEU CD1 . 16923 1 1034 . 2 2 3 3 LEU CD2 C 13 24.859 . . 1 . . . . 200 LEU CD2 . 16923 1 1035 . 2 2 3 3 LEU CG C 13 27.042 . . 1 . . . . 200 LEU CG . 16923 1 1036 . 2 2 3 3 LEU N N 15 122.526 . . 1 . . . . 200 LEU N . 16923 1 1037 . 2 2 4 4 GLY H H 1 8.524 . . 1 . . . . 201 GLY HN . 16923 1 1038 . 2 2 4 4 GLY HA2 H 1 4.058 . . 2 . . . . 201 GLY HA1 . 16923 1 1039 . 2 2 4 4 GLY HA3 H 1 3.981 . . 2 . . . . 201 GLY HA2 . 16923 1 1040 . 2 2 4 4 GLY CA C 13 45.337 . . 1 . . . . 201 GLY CA . 16923 1 1041 . 2 2 4 4 GLY N N 15 110.490 . . 1 . . . . 201 GLY N . 16923 1 1042 . 2 2 5 5 SER HA H 1 4.486 . . 1 . . . . 202 SER HA . 16923 1 1043 . 2 2 5 5 SER HB2 H 1 3.871 . . 2 . . . . 202 SER HB1 . 16923 1 1044 . 2 2 5 5 SER HB3 H 1 3.952 . . 2 . . . . 202 SER HB2 . 16923 1 1045 . 2 2 5 5 SER CA C 13 58.511 . . 1 . . . . 202 SER CA . 16923 1 1046 . 2 2 5 5 SER CB C 13 63.743 . . 1 . . . . 202 SER CB . 16923 1 1047 . 2 2 5 5 SER N N 15 115.900 . . 1 . . . . 202 SER N . 16923 1 1048 . 2 2 6 6 GLU H H 1 8.739 . . 1 . . . . 203 GLU HN . 16923 1 1049 . 2 2 6 6 GLU HA H 1 4.324 . . 1 . . . . 203 GLU HA . 16923 1 1050 . 2 2 6 6 GLU HB2 H 1 2.048 . . 2 . . . . 203 GLU HB2 . 16923 1 1051 . 2 2 6 6 GLU HG2 H 1 2.304 . . 2 . . . . 203 GLU HG1 . 16923 1 1052 . 2 2 6 6 GLU HG3 H 1 2.304 . . 2 . . . . 203 GLU HG2 . 16923 1 1053 . 2 2 6 6 GLU CA C 13 57.200 . . 1 . . . . 203 GLU CA . 16923 1 1054 . 2 2 6 6 GLU CB C 13 29.753 . . 1 . . . . 203 GLU CB . 16923 1 1055 . 2 2 6 6 GLU CG C 13 36.263 . . 1 . . . . 203 GLU CG . 16923 1 1056 . 2 2 6 6 GLU N N 15 123.101 . . 1 . . . . 203 GLU N . 16923 1 1057 . 2 2 7 7 LEU H H 1 8.208 . . 1 . . . . 204 LEU HN . 16923 1 1058 . 2 2 7 7 LEU HA H 1 4.364 . . 1 . . . . 204 LEU HA . 16923 1 1059 . 2 2 7 7 LEU HB2 H 1 1.672 . . 2 . . . . 204 LEU HB1 . 16923 1 1060 . 2 2 7 7 LEU HB3 H 1 1.672 . . 2 . . . . 204 LEU HB2 . 16923 1 1061 . 2 2 7 7 LEU HD11 H 1 0.929 . . 2 . . . . 204 LEU HD11 . 16923 1 1062 . 2 2 7 7 LEU HD12 H 1 0.929 . . 2 . . . . 204 LEU HD11 . 16923 1 1063 . 2 2 7 7 LEU HD13 H 1 0.929 . . 2 . . . . 204 LEU HD11 . 16923 1 1064 . 2 2 7 7 LEU HD21 H 1 0.890 . . 2 . . . . 204 LEU HD21 . 16923 1 1065 . 2 2 7 7 LEU HD22 H 1 0.890 . . 2 . . . . 204 LEU HD21 . 16923 1 1066 . 2 2 7 7 LEU HD23 H 1 0.890 . . 2 . . . . 204 LEU HD21 . 16923 1 1067 . 2 2 7 7 LEU HG H 1 2.203 . . 1 . . . . 204 LEU HG . 16923 1 1068 . 2 2 7 7 LEU CA C 13 55.357 . . 1 . . . . 204 LEU CA . 16923 1 1069 . 2 2 7 7 LEU CB C 13 42.223 . . 1 . . . . 204 LEU CB . 16923 1 1070 . 2 2 7 7 LEU CD1 C 13 24.900 . . 1 . . . . 204 LEU CD1 . 16923 1 1071 . 2 2 7 7 LEU CD2 C 13 23.272 . . 1 . . . . 204 LEU CD2 . 16923 1 1072 . 2 2 7 7 LEU CG C 13 27.078 . . 1 . . . . 204 LEU CG . 16923 1 1073 . 2 2 7 7 LEU N N 15 122.124 . . 1 . . . . 204 LEU N . 16923 1 1074 . 2 2 8 8 GLU H H 1 8.296 . . 1 . . . . 205 GLU HN . 16923 1 1075 . 2 2 8 8 GLU HA H 1 4.622 . . 1 . . . . 205 GLU HA . 16923 1 1076 . 2 2 8 8 GLU HB2 H 1 2.393 . . 2 . . . . 205 GLU HB1 . 16923 1 1077 . 2 2 8 8 GLU HB3 H 1 2.155 . . 2 . . . . 205 GLU HB2 . 16923 1 1078 . 2 2 8 8 GLU HG2 H 1 2.493 . . 2 . . . . 205 GLU HG1 . 16923 1 1079 . 2 2 8 8 GLU HG3 H 1 2.493 . . 2 . . . . 205 GLU HG2 . 16923 1 1080 . 2 2 8 8 GLU CA C 13 55.899 . . 1 . . . . 205 GLU CA . 16923 1 1081 . 2 2 8 8 GLU CB C 13 30.849 . . 1 . . . . 205 GLU CB . 16923 1 1082 . 2 2 8 8 GLU CG C 13 36.092 . . 1 . . . . 205 GLU CG . 16923 1 1083 . 2 2 8 8 GLU N N 15 121.474 . . 1 . . . . 205 GLU N . 16923 1 1084 . 2 2 9 9 SER H H 1 8.138 . . 1 . . . . 206 SER HN . 16923 1 1085 . 2 2 9 9 SER HA H 1 4.727 . . 1 . . . . 206 SER HA . 16923 1 1086 . 2 2 9 9 SER HB2 H 1 3.896 . . 2 . . . . 206 SER HB1 . 16923 1 1087 . 2 2 9 9 SER HB3 H 1 3.777 . . 2 . . . . 206 SER HB2 . 16923 1 1088 . 2 2 9 9 SER CA C 13 56.305 . . 1 . . . . 206 SER CA . 16923 1 1089 . 2 2 9 9 SER CB C 13 63.346 . . 1 . . . . 206 SER CB . 16923 1 1090 . 2 2 9 9 SER N N 15 119.314 . . 1 . . . . 206 SER N . 16923 1 1091 . 2 2 10 10 PRO HA H 1 2.870 . . 1 . . . . 207 PRO HA . 16923 1 1092 . 2 2 10 10 PRO HB2 H 1 1.490 . . 2 . . . . 207 PRO HB1 . 16923 1 1093 . 2 2 10 10 PRO HB3 H 1 1.573 . . 2 . . . . 207 PRO HB2 . 16923 1 1094 . 2 2 10 10 PRO HD2 H 1 2.441 . . 2 . . . . 207 PRO HD1 . 16923 1 1095 . 2 2 10 10 PRO HD3 H 1 2.692 . . 2 . . . . 207 PRO HD2 . 16923 1 1096 . 2 2 10 10 PRO HG2 H 1 0.993 . . 2 . . . . 207 PRO HG1 . 16923 1 1097 . 2 2 10 10 PRO HG3 H 1 0.315 . . 2 . . . . 207 PRO HG2 . 16923 1 1098 . 2 2 10 10 PRO CA C 13 60.557 . . 1 . . . . 207 PRO CA . 16923 1 1099 . 2 2 10 10 PRO CB C 13 26.245 . . 1 . . . . 207 PRO CB . 16923 1 1100 . 2 2 10 10 PRO CD C 13 49.310 . . 1 . . . . 207 PRO CD . 16923 1 1101 . 2 2 10 10 PRO CG C 13 29.057 . . 1 . . . . 207 PRO CG . 16923 1 1102 . 2 2 11 11 PRO HA H 1 3.801 . . 1 . . . . 208 PRO HA . 16923 1 1103 . 2 2 11 11 PRO HB2 H 1 1.156 . . 2 . . . . 208 PRO HB1 . 16923 1 1104 . 2 2 11 11 PRO HB3 H 1 1.410 . . 2 . . . . 208 PRO HB2 . 16923 1 1105 . 2 2 11 11 PRO HD2 H 1 3.462 . . 2 . . . . 208 PRO HD2 . 16923 1 1106 . 2 2 11 11 PRO HG2 H 1 1.137 . . 2 . . . . 208 PRO HG1 . 16923 1 1107 . 2 2 11 11 PRO HG3 H 1 0.428 . . 2 . . . . 208 PRO HG2 . 16923 1 1108 . 2 2 11 11 PRO CA C 13 60.932 . . 1 . . . . 208 PRO CA . 16923 1 1109 . 2 2 11 11 PRO CB C 13 25.870 . . 1 . . . . 208 PRO CB . 16923 1 1110 . 2 2 11 11 PRO CD C 13 50.106 . . 1 . . . . 208 PRO CD . 16923 1 1111 . 2 2 11 11 PRO CG C 13 28.050 . . 1 . . . . 208 PRO CG . 16923 1 1112 . 2 2 11 11 PRO N N 15 134.473 . . 1 . . . . 208 PRO N . 16923 1 1113 . 2 2 12 12 PRO HA H 1 4.263 . . 1 . . . . 209 PRO HA . 16923 1 1114 . 2 2 12 12 PRO HB2 H 1 1.243 . . 2 . . . . 209 PRO HB1 . 16923 1 1115 . 2 2 12 12 PRO HB3 H 1 2.236 . . 2 . . . . 209 PRO HB2 . 16923 1 1116 . 2 2 12 12 PRO HD2 H 1 1.224 . . 2 . . . . 209 PRO HD1 . 16923 1 1117 . 2 2 12 12 PRO HD3 H 1 2.884 . . 2 . . . . 209 PRO HD2 . 16923 1 1118 . 2 2 12 12 PRO HG2 H 1 1.414 . . 2 . . . . 209 PRO HG1 . 16923 1 1119 . 2 2 12 12 PRO HG3 H 1 1.604 . . 2 . . . . 209 PRO HG2 . 16923 1 1120 . 2 2 12 12 PRO CA C 13 61.307 . . 1 . . . . 209 PRO CA . 16923 1 1121 . 2 2 12 12 PRO CB C 13 30.303 . . 1 . . . . 209 PRO CB . 16923 1 1122 . 2 2 12 12 PRO CD C 13 48.128 . . 1 . . . . 209 PRO CD . 16923 1 1123 . 2 2 12 12 PRO CG C 13 28.600 . . 1 . . . . 209 PRO CG . 16923 1 1124 . 2 2 12 12 PRO N N 15 132.811 . . 1 . . . . 209 PRO N . 16923 1 1125 . 2 2 13 13 PRO HA H 1 3.920 . . 1 . . . . 210 PRO HA . 16923 1 1126 . 2 2 13 13 PRO HB2 H 1 1.816 . . 2 . . . . 210 PRO HB1 . 16923 1 1127 . 2 2 13 13 PRO HB3 H 1 2.220 . . 2 . . . . 210 PRO HB2 . 16923 1 1128 . 2 2 13 13 PRO HD2 H 1 3.430 . . 2 . . . . 210 PRO HD1 . 16923 1 1129 . 2 2 13 13 PRO HD3 H 1 3.512 . . 2 . . . . 210 PRO HD2 . 16923 1 1130 . 2 2 13 13 PRO HG2 H 1 1.757 . . 2 . . . . 210 PRO HG1 . 16923 1 1131 . 2 2 13 13 PRO HG3 H 1 1.923 . . 2 . . . . 210 PRO HG2 . 16923 1 1132 . 2 2 13 13 PRO CA C 13 61.856 . . 1 . . . . 210 PRO CA . 16923 1 1133 . 2 2 13 13 PRO CB C 13 33.151 . . 1 . . . . 210 PRO CB . 16923 1 1134 . 2 2 13 13 PRO CD C 13 49.984 . . 1 . . . . 210 PRO CD . 16923 1 1135 . 2 2 13 13 PRO CG C 13 27.296 . . 1 . . . . 210 PRO CG . 16923 1 1136 . 2 2 13 13 PRO N N 15 129.930 . . 1 . . . . 210 PRO N . 16923 1 1137 . 2 2 14 14 TYR H H 1 8.151 . . 1 . . . . 211 TYR HN . 16923 1 1138 . 2 2 14 14 TYR HA H 1 3.511 . . 1 . . . . 211 TYR HA . 16923 1 1139 . 2 2 14 14 TYR HB2 H 1 2.509 . . 2 . . . . 211 TYR HB1 . 16923 1 1140 . 2 2 14 14 TYR HB3 H 1 2.638 . . 2 . . . . 211 TYR HB2 . 16923 1 1141 . 2 2 14 14 TYR HD1 H 1 6.646 . . 3 . . . . 211 TYR HD1 . 16923 1 1142 . 2 2 14 14 TYR HD2 H 1 6.646 . . 3 . . . . 211 TYR HD2 . 16923 1 1143 . 2 2 14 14 TYR HE1 H 1 6.420 . . 3 . . . . 211 TYR HE1 . 16923 1 1144 . 2 2 14 14 TYR HE2 H 1 6.420 . . 3 . . . . 211 TYR HE2 . 16923 1 1145 . 2 2 14 14 TYR CA C 13 61.856 . . 1 . . . . 211 TYR CA . 16923 1 1146 . 2 2 14 14 TYR CB C 13 38.567 . . 1 . . . . 211 TYR CB . 16923 1 1147 . 2 2 14 14 TYR CD1 C 13 131.800 . . 3 . . . . 211 TYR CD1 . 16923 1 1148 . 2 2 14 14 TYR CD2 C 13 131.800 . . 3 . . . . 211 TYR CD2 . 16923 1 1149 . 2 2 14 14 TYR CE1 C 13 118.428 . . 3 . . . . 211 TYR CE1 . 16923 1 1150 . 2 2 14 14 TYR CE2 C 13 118.428 . . 3 . . . . 211 TYR CE2 . 16923 1 1151 . 2 2 14 14 TYR N N 15 120.171 . . 1 . . . . 211 TYR N . 16923 1 1152 . 2 2 15 15 SER H H 1 5.845 . . 1 . . . . 212 SER HN . 16923 1 1153 . 2 2 15 15 SER HA H 1 3.994 . . 1 . . . . 212 SER HA . 16923 1 1154 . 2 2 15 15 SER HB2 H 1 3.563 . . 2 . . . . 212 SER HB1 . 16923 1 1155 . 2 2 15 15 SER HB3 H 1 3.798 . . 2 . . . . 212 SER HB2 . 16923 1 1156 . 2 2 15 15 SER CA C 13 56.982 . . 1 . . . . 212 SER CA . 16923 1 1157 . 2 2 15 15 SER CB C 13 64.565 . . 1 . . . . 212 SER CB . 16923 1 1158 . 2 2 15 15 SER N N 15 119.153 . . 1 . . . . 212 SER N . 16923 1 1159 . 2 2 16 16 ARG HA H 1 3.993 . . 1 . . . . 213 ARG HA . 16923 1 1160 . 2 2 16 16 ARG HB2 H 1 1.494 . . 2 . . . . 213 ARG HB1 . 16923 1 1161 . 2 2 16 16 ARG HB3 H 1 1.780 . . 2 . . . . 213 ARG HB2 . 16923 1 1162 . 2 2 16 16 ARG HD2 H 1 2.928 . . 2 . . . . 213 ARG HD2 . 16923 1 1163 . 2 2 16 16 ARG HG2 H 1 0.710 . . 2 . . . . 213 ARG HG1 . 16923 1 1164 . 2 2 16 16 ARG HG3 H 1 1.165 . . 2 . . . . 213 ARG HG2 . 16923 1 1165 . 2 2 16 16 ARG CA C 13 58.355 . . 1 . . . . 213 ARG CA . 16923 1 1166 . 2 2 16 16 ARG CB C 13 29.612 . . 1 . . . . 213 ARG CB . 16923 1 1167 . 2 2 16 16 ARG CD C 13 42.538 . . 1 . . . . 213 ARG CD . 16923 1 1168 . 2 2 16 16 ARG CG C 13 26.650 . . 1 . . . . 213 ARG CG . 16923 1 1169 . 2 2 16 16 ARG N N 15 128.040 . . 1 . . . . 213 ARG N . 16923 1 1170 . 2 2 17 17 TYR H H 1 8.131 . . 1 . . . . 214 TYR HN . 16923 1 1171 . 2 2 17 17 TYR HA H 1 5.003 . . 1 . . . . 214 TYR HA . 16923 1 1172 . 2 2 17 17 TYR HB2 H 1 2.629 . . 2 . . . . 214 TYR HB1 . 16923 1 1173 . 2 2 17 17 TYR HB3 H 1 3.155 . . 2 . . . . 214 TYR HB2 . 16923 1 1174 . 2 2 17 17 TYR HD1 H 1 7.134 . . 3 . . . . 214 TYR HD1 . 16923 1 1175 . 2 2 17 17 TYR HD2 H 1 7.134 . . 3 . . . . 214 TYR HD2 . 16923 1 1176 . 2 2 17 17 TYR HE1 H 1 6.780 . . 3 . . . . 214 TYR HE1 . 16923 1 1177 . 2 2 17 17 TYR HE2 H 1 6.780 . . 3 . . . . 214 TYR HE2 . 16923 1 1178 . 2 2 17 17 TYR CA C 13 54.370 . . 1 . . . . 214 TYR CA . 16923 1 1179 . 2 2 17 17 TYR CB C 13 38.052 . . 1 . . . . 214 TYR CB . 16923 1 1180 . 2 2 17 17 TYR CD1 C 13 132.584 . . 3 . . . . 214 TYR CD1 . 16923 1 1181 . 2 2 17 17 TYR CD2 C 13 133.584 . . 3 . . . . 214 TYR CD2 . 16923 1 1182 . 2 2 17 17 TYR CE1 C 13 117.900 . . 3 . . . . 214 TYR CE1 . 16923 1 1183 . 2 2 17 17 TYR CE2 C 13 117.900 . . 3 . . . . 214 TYR CE2 . 16923 1 1184 . 2 2 17 17 TYR N N 15 117.356 . . 1 . . . . 214 TYR N . 16923 1 1185 . 2 2 18 18 PRO HA H 1 4.241 . . 1 . . . . 215 PRO HA . 16923 1 1186 . 2 2 18 18 PRO HB2 H 1 2.063 . . 2 . . . . 215 PRO HB1 . 16923 1 1187 . 2 2 18 18 PRO HB3 H 1 2.243 . . 2 . . . . 215 PRO HB2 . 16923 1 1188 . 2 2 18 18 PRO HD2 H 1 3.810 . . 2 . . . . 215 PRO HD1 . 16923 1 1189 . 2 2 18 18 PRO HD3 H 1 3.912 . . 2 . . . . 215 PRO HD2 . 16923 1 1190 . 2 2 18 18 PRO HG2 H 1 2.207 . . 2 . . . . 215 PRO HG1 . 16923 1 1191 . 2 2 18 18 PRO HG3 H 1 1.998 . . 2 . . . . 215 PRO HG2 . 16923 1 1192 . 2 2 18 18 PRO CA C 13 63.276 . . 1 . . . . 215 PRO CA . 16923 1 1193 . 2 2 18 18 PRO CB C 13 31.960 . . 1 . . . . 215 PRO CB . 16923 1 1194 . 2 2 18 18 PRO CD C 13 50.142 . . 1 . . . . 215 PRO CD . 16923 1 1195 . 2 2 18 18 PRO CG C 13 27.790 . . 1 . . . . 215 PRO CG . 16923 1 1196 . 2 2 18 18 PRO N N 15 136.647 . . 1 . . . . 215 PRO N . 16923 1 1197 . 2 2 19 19 MET H H 1 8.566 . . 1 . . . . 216 MET HN . 16923 1 1198 . 2 2 19 19 MET HA H 1 4.579 . . 1 . . . . 216 MET HA . 16923 1 1199 . 2 2 19 19 MET HB2 H 1 1.930 . . 2 . . . . 216 MET HB1 . 16923 1 1200 . 2 2 19 19 MET HB3 H 1 2.162 . . 2 . . . . 216 MET HB2 . 16923 1 1201 . 2 2 19 19 MET HE1 H 1 2.100 . . 1 . . . . 216 MET HE1 . 16923 1 1202 . 2 2 19 19 MET HE2 H 1 2.100 . . 1 . . . . 216 MET HE1 . 16923 1 1203 . 2 2 19 19 MET HE3 H 1 2.100 . . 1 . . . . 216 MET HE1 . 16923 1 1204 . 2 2 19 19 MET HG2 H 1 2.565 . . 2 . . . . 216 MET HG1 . 16923 1 1205 . 2 2 19 19 MET HG3 H 1 2.606 . . 2 . . . . 216 MET HG2 . 16923 1 1206 . 2 2 19 19 MET CA C 13 54.929 . . 1 . . . . 216 MET CA . 16923 1 1207 . 2 2 19 19 MET CB C 13 33.673 . . 1 . . . . 216 MET CB . 16923 1 1208 . 2 2 19 19 MET CE C 13 16.786 . . 1 . . . . 216 MET CE . 16923 1 1209 . 2 2 19 19 MET CG C 13 31.902 . . 1 . . . . 216 MET CG . 16923 1 1210 . 2 2 19 19 MET N N 15 122.359 . . 1 . . . . 216 MET N . 16923 1 1211 . 2 2 20 20 ASP H H 1 7.873 . . 1 . . . . 217 ASP HN . 16923 1 1212 . 2 2 20 20 ASP HA H 1 4.394 . . 1 . . . . 217 ASP HA . 16923 1 1213 . 2 2 20 20 ASP HB2 H 1 2.581 . . 2 . . . . 217 ASP HB1 . 16923 1 1214 . 2 2 20 20 ASP HB3 H 1 2.728 . . 2 . . . . 217 ASP HB2 . 16923 1 1215 . 2 2 20 20 ASP CA C 13 55.721 . . 1 . . . . 217 ASP CA . 16923 1 1216 . 2 2 20 20 ASP CB C 13 42.495 . . 1 . . . . 217 ASP CB . 16923 1 1217 . 2 2 20 20 ASP N N 15 126.915 . . 1 . . . . 217 ASP N . 16923 1 stop_ save_