data_16914 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16914 _Entry.Title ; Solution strcture of UBX domain of human UBXD2 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-06 _Entry.Accession_date 2010-05-06 _Entry.Last_release_date 2012-08-02 _Entry.Original_release_date 2012-08-02 _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 . _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 Qinglin Wu . . . 16914 2 Hongda Huang . . . 16914 3 Jiahai Zhang . . . 16914 4 Qi Hu . . . 16914 5 Jihui Wu . . . 16914 6 Yunyu Shi . . . 16914 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 1 'not applicable' 'not applicable' . 16914 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID p97 . 16914 UBX . 16914 UBXD2 . 16914 VCP . 16914 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16914 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 311 16914 '15N chemical shifts' 79 16914 '1H chemical shifts' 535 16914 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-02 2010-05-06 original author . 16914 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16914 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution strcture of UBX domain of human UBXD2 protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Qinglin Wu . . . 16914 1 2 Hongda Huang . . . 16914 1 3 Jiahai Zhang . . . 16914 1 4 Qi Hu . . . 16914 1 5 Jihui Wu . . . 16914 1 6 Yunyu Shi . . . 16914 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16914 _Assembly.ID 1 _Assembly.Name 'UBX domain of human UBXD2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 UBX 1 $entity A . yes native no no . . . 16914 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16914 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'UBX domain of human UBXD2' _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 ; MGHHHHHHMSTVARIQFRLP DGSSFTNQFPSDAPLEEARQ FAAQTVGNTYGNFSLATMFP RREFTKEDYKKKLLDLELAP SASVVLLPAG ; _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 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10112.486 _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 2KXJ . "Solution Structure Of Ubx Domain Of Human Ubxd2 Protein" . . . . . 100.00 90 100.00 100.00 6.58e-59 . . . . 16914 1 2 no REF XP_003794437 . "PREDICTED: UBX domain-containing protein 4 [Otolemur garnettii]" . . . . . 91.11 470 98.78 100.00 2.53e-48 . . . . 16914 1 3 no REF XP_004032644 . "PREDICTED: UBX domain-containing protein 4 [Gorilla gorilla gorilla]" . . . . . 90.00 628 100.00 100.00 4.66e-45 . . . . 16914 1 4 no REF XP_006996353 . "PREDICTED: UBX domain-containing protein 4 [Peromyscus maniculatus bairdii]" . . . . . 90.00 615 98.77 100.00 2.26e-47 . . . . 16914 1 5 no REF XP_007129544 . "PREDICTED: UBX domain-containing protein 4 isoform X2 [Physeter catodon]" . . . . . 88.89 472 97.50 100.00 3.11e-47 . . . . 16914 1 6 no REF XP_008831885 . "PREDICTED: UBX domain-containing protein 4 [Nannospalax galili]" . . . . . 90.00 542 97.53 98.77 7.39e-44 . . . . 16914 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 1 308 MET . 16914 1 2 309 GLY . 16914 1 3 310 HIS . 16914 1 4 311 HIS . 16914 1 5 312 HIS . 16914 1 6 313 HIS . 16914 1 7 314 HIS . 16914 1 8 315 HIS . 16914 1 9 316 MET . 16914 1 10 317 SER . 16914 1 11 318 THR . 16914 1 12 319 VAL . 16914 1 13 320 ALA . 16914 1 14 321 ARG . 16914 1 15 322 ILE . 16914 1 16 323 GLN . 16914 1 17 324 PHE . 16914 1 18 325 ARG . 16914 1 19 326 LEU . 16914 1 20 327 PRO . 16914 1 21 328 ASP . 16914 1 22 329 GLY . 16914 1 23 330 SER . 16914 1 24 331 SER . 16914 1 25 332 PHE . 16914 1 26 333 THR . 16914 1 27 334 ASN . 16914 1 28 335 GLN . 16914 1 29 336 PHE . 16914 1 30 337 PRO . 16914 1 31 338 SER . 16914 1 32 339 ASP . 16914 1 33 340 ALA . 16914 1 34 341 PRO . 16914 1 35 342 LEU . 16914 1 36 343 GLU . 16914 1 37 344 GLU . 16914 1 38 345 ALA . 16914 1 39 346 ARG . 16914 1 40 347 GLN . 16914 1 41 348 PHE . 16914 1 42 349 ALA . 16914 1 43 350 ALA . 16914 1 44 351 GLN . 16914 1 45 352 THR . 16914 1 46 353 VAL . 16914 1 47 354 GLY . 16914 1 48 355 ASN . 16914 1 49 356 THR . 16914 1 50 357 TYR . 16914 1 51 358 GLY . 16914 1 52 359 ASN . 16914 1 53 360 PHE . 16914 1 54 361 SER . 16914 1 55 362 LEU . 16914 1 56 363 ALA . 16914 1 57 364 THR . 16914 1 58 365 MET . 16914 1 59 366 PHE . 16914 1 60 367 PRO . 16914 1 61 368 ARG . 16914 1 62 369 ARG . 16914 1 63 370 GLU . 16914 1 64 371 PHE . 16914 1 65 372 THR . 16914 1 66 373 LYS . 16914 1 67 374 GLU . 16914 1 68 375 ASP . 16914 1 69 376 TYR . 16914 1 70 377 LYS . 16914 1 71 378 LYS . 16914 1 72 379 LYS . 16914 1 73 380 LEU . 16914 1 74 381 LEU . 16914 1 75 382 ASP . 16914 1 76 383 LEU . 16914 1 77 384 GLU . 16914 1 78 385 LEU . 16914 1 79 386 ALA . 16914 1 80 387 PRO . 16914 1 81 388 SER . 16914 1 82 389 ALA . 16914 1 83 390 SER . 16914 1 84 391 VAL . 16914 1 85 392 VAL . 16914 1 86 393 LEU . 16914 1 87 394 LEU . 16914 1 88 395 PRO . 16914 1 89 396 ALA . 16914 1 90 397 GLY . 16914 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 . MET 1 1 16914 1 . GLY 2 2 16914 1 . HIS 3 3 16914 1 . HIS 4 4 16914 1 . HIS 5 5 16914 1 . HIS 6 6 16914 1 . HIS 7 7 16914 1 . HIS 8 8 16914 1 . MET 9 9 16914 1 . SER 10 10 16914 1 . THR 11 11 16914 1 . VAL 12 12 16914 1 . ALA 13 13 16914 1 . ARG 14 14 16914 1 . ILE 15 15 16914 1 . GLN 16 16 16914 1 . PHE 17 17 16914 1 . ARG 18 18 16914 1 . LEU 19 19 16914 1 . PRO 20 20 16914 1 . ASP 21 21 16914 1 . GLY 22 22 16914 1 . SER 23 23 16914 1 . SER 24 24 16914 1 . PHE 25 25 16914 1 . THR 26 26 16914 1 . ASN 27 27 16914 1 . GLN 28 28 16914 1 . PHE 29 29 16914 1 . PRO 30 30 16914 1 . SER 31 31 16914 1 . ASP 32 32 16914 1 . ALA 33 33 16914 1 . PRO 34 34 16914 1 . LEU 35 35 16914 1 . GLU 36 36 16914 1 . GLU 37 37 16914 1 . ALA 38 38 16914 1 . ARG 39 39 16914 1 . GLN 40 40 16914 1 . PHE 41 41 16914 1 . ALA 42 42 16914 1 . ALA 43 43 16914 1 . GLN 44 44 16914 1 . THR 45 45 16914 1 . VAL 46 46 16914 1 . GLY 47 47 16914 1 . ASN 48 48 16914 1 . THR 49 49 16914 1 . TYR 50 50 16914 1 . GLY 51 51 16914 1 . ASN 52 52 16914 1 . PHE 53 53 16914 1 . SER 54 54 16914 1 . LEU 55 55 16914 1 . ALA 56 56 16914 1 . THR 57 57 16914 1 . MET 58 58 16914 1 . PHE 59 59 16914 1 . PRO 60 60 16914 1 . ARG 61 61 16914 1 . ARG 62 62 16914 1 . GLU 63 63 16914 1 . PHE 64 64 16914 1 . THR 65 65 16914 1 . LYS 66 66 16914 1 . GLU 67 67 16914 1 . ASP 68 68 16914 1 . TYR 69 69 16914 1 . LYS 70 70 16914 1 . LYS 71 71 16914 1 . LYS 72 72 16914 1 . LEU 73 73 16914 1 . LEU 74 74 16914 1 . ASP 75 75 16914 1 . LEU 76 76 16914 1 . GLU 77 77 16914 1 . LEU 78 78 16914 1 . ALA 79 79 16914 1 . PRO 80 80 16914 1 . SER 81 81 16914 1 . ALA 82 82 16914 1 . SER 83 83 16914 1 . VAL 84 84 16914 1 . VAL 85 85 16914 1 . LEU 86 86 16914 1 . LEU 87 87 16914 1 . PRO 88 88 16914 1 . ALA 89 89 16914 1 . GLY 90 90 16914 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16914 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16914 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 16914 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . p28 . . . . . . 16914 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16914 _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 UBX '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.8 . . mM . . . . 16914 1 2 PBS 'natural abundance' . . . . . . 50 . . mM . . . . 16914 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 16914 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16914 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16914 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 16914 _Sample_condition_list.ID 1 _Sample_condition_list.Details '50mM PBS, 50mM NaCl, pH5.5' 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' 100 . mM 16914 1 pH 5.5 . pH 16914 1 pressure 1 . atm 16914 1 temperature 298 . K 16914 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16914 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16914 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16914 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 16914 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 16914 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 500 . . . 16914 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 16914 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16914 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16914 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16914 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16914 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16914 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16914 1 7 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16914 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16914 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16914 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16914 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 16914 _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 water protons . . . . ppm 4.7 internal indirect 0.2514 . . . . . . . . . 16914 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . . . . . 16914 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.1013 . . . . . . . . . 16914 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 16914 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16914 1 2 '3D CBCA(CO)NH' . . . 16914 1 3 '3D C(CO)NH' . . . 16914 1 4 '3D HNCO' . . . 16914 1 5 '3D HNCACB' . . . 16914 1 6 '3D HBHA(CO)NH' . . . 16914 1 7 '3D HCCH-COSY' . . . 16914 1 8 '3D HCCH-TOCSY' . . . 16914 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 10 10 SER H H 1 8.333 0.007 . 1 . . . . 317 SER H . 16914 1 2 . 1 1 10 10 SER HA H 1 4.553 0.005 . 1 . . . . 317 SER HA . 16914 1 3 . 1 1 10 10 SER HB2 H 1 3.862 0.012 . . . . . . 317 SER HB# . 16914 1 4 . 1 1 10 10 SER HB3 H 1 3.862 0.012 . . . . . . 317 SER HB# . 16914 1 5 . 1 1 10 10 SER CA C 13 58.474 0.038 . 1 . . . . 317 SER CA . 16914 1 6 . 1 1 10 10 SER CB C 13 63.958 0.059 . 1 . . . . 317 SER CB . 16914 1 7 . 1 1 10 10 SER N N 15 117.16 0.016 . 1 . . . . 317 SER N . 16914 1 8 . 1 1 11 11 THR H H 1 8.461 0.005 . 1 . . . . 318 THR H . 16914 1 9 . 1 1 11 11 THR HA H 1 4.374 0.004 . 1 . . . . 318 THR HA . 16914 1 10 . 1 1 11 11 THR HB H 1 4.414 0 . 1 . . . . 318 THR HB . 16914 1 11 . 1 1 11 11 THR HG21 H 1 1.235 0.014 . . . . . . 318 THR HG2# . 16914 1 12 . 1 1 11 11 THR HG22 H 1 1.235 0.014 . . . . . . 318 THR HG2# . 16914 1 13 . 1 1 11 11 THR HG23 H 1 1.235 0.014 . . . . . . 318 THR HG2# . 16914 1 14 . 1 1 11 11 THR C C 13 175.037 0 . 1 . . . . 318 THR C . 16914 1 15 . 1 1 11 11 THR CA C 13 62.449 0.007 . 1 . . . . 318 THR CA . 16914 1 16 . 1 1 11 11 THR CB C 13 69.483 0.03 . 1 . . . . 318 THR CB . 16914 1 17 . 1 1 11 11 THR CG2 C 13 22.251 0 . . . . . . 318 THR CG . 16914 1 18 . 1 1 11 11 THR N N 15 115.651 0.021 . 1 . . . . 318 THR N . 16914 1 19 . 1 1 12 12 VAL H H 1 7.91 0.005 . 1 . . . . 319 VAL H . 16914 1 20 . 1 1 12 12 VAL HA H 1 4.814 0.008 . 1 . . . . 319 VAL HA . 16914 1 21 . 1 1 12 12 VAL HB H 1 1.86 0.007 . 1 . . . . 319 VAL HB . 16914 1 22 . 1 1 12 12 VAL HG11 H 1 0.81 0.005 . . . . . . 319 VAL HG1# . 16914 1 23 . 1 1 12 12 VAL HG12 H 1 0.81 0.005 . . . . . . 319 VAL HG1# . 16914 1 24 . 1 1 12 12 VAL HG13 H 1 0.81 0.005 . . . . . . 319 VAL HG1# . 16914 1 25 . 1 1 12 12 VAL HG21 H 1 0.803 0.001 . . . . . . 319 VAL HG2# . 16914 1 26 . 1 1 12 12 VAL HG22 H 1 0.803 0.001 . . . . . . 319 VAL HG2# . 16914 1 27 . 1 1 12 12 VAL HG23 H 1 0.803 0.001 . . . . . . 319 VAL HG2# . 16914 1 28 . 1 1 12 12 VAL C C 13 174.025 0 . 1 . . . . 319 VAL C . 16914 1 29 . 1 1 12 12 VAL CA C 13 60.76 0.022 . 1 . . . . 319 VAL CA . 16914 1 30 . 1 1 12 12 VAL CB C 13 35.736 0.089 . 1 . . . . 319 VAL CB . 16914 1 31 . 1 1 12 12 VAL CG1 C 13 21.662 0 . 2 . . . . 319 VAL CG1 . 16914 1 32 . 1 1 12 12 VAL CG2 C 13 19.765 0 . 2 . . . . 319 VAL CG2 . 16914 1 33 . 1 1 12 12 VAL N N 15 119.498 0.03 . 1 . . . . 319 VAL N . 16914 1 34 . 1 1 13 13 ALA H H 1 9.416 0.005 . 1 . . . . 320 ALA H . 16914 1 35 . 1 1 13 13 ALA HA H 1 4.784 0.009 . 1 . . . . 320 ALA HA . 16914 1 36 . 1 1 13 13 ALA HB1 H 1 1.108 0.011 . . . . . . 320 ALA HB# . 16914 1 37 . 1 1 13 13 ALA HB2 H 1 1.108 0.011 . . . . . . 320 ALA HB# . 16914 1 38 . 1 1 13 13 ALA HB3 H 1 1.108 0.011 . . . . . . 320 ALA HB# . 16914 1 39 . 1 1 13 13 ALA C C 13 175.376 0 . 1 . . . . 320 ALA C . 16914 1 40 . 1 1 13 13 ALA CA C 13 50.127 0.065 . 1 . . . . 320 ALA CA . 16914 1 41 . 1 1 13 13 ALA CB C 13 21.383 0.003 . 1 . . . . 320 ALA CB . 16914 1 42 . 1 1 13 13 ALA N N 15 125.735 0.062 . 1 . . . . 320 ALA N . 16914 1 43 . 1 1 14 14 ARG H H 1 8.551 0.005 . 1 . . . . 321 ARG H . 16914 1 44 . 1 1 14 14 ARG HA H 1 4.694 0.005 . 1 . . . . 321 ARG HA . 16914 1 45 . 1 1 14 14 ARG HB2 H 1 1.858 0.005 . . . . . . 321 ARG HB1 . 16914 1 46 . 1 1 14 14 ARG HB3 H 1 1.749 0.009 . 2 . . . . 321 ARG HB2 . 16914 1 47 . 1 1 14 14 ARG HD2 H 1 3.178 0.006 . . . . . . 321 ARG HD# . 16914 1 48 . 1 1 14 14 ARG HD3 H 1 3.178 0.006 . . . . . . 321 ARG HD# . 16914 1 49 . 1 1 14 14 ARG HG2 H 1 1.473 0.004 . . . . . . 321 ARG HG1 . 16914 1 50 . 1 1 14 14 ARG HG3 H 1 1.387 0 . 2 . . . . 321 ARG HG2 . 16914 1 51 . 1 1 14 14 ARG C C 13 174.637 0 . 1 . . . . 321 ARG C . 16914 1 52 . 1 1 14 14 ARG CA C 13 55.892 0 . 1 . . . . 321 ARG CA . 16914 1 53 . 1 1 14 14 ARG CB C 13 30.774 0.074 . 1 . . . . 321 ARG CB . 16914 1 54 . 1 1 14 14 ARG CD C 13 43.312 0.106 . 1 . . . . 321 ARG CD . 16914 1 55 . 1 1 14 14 ARG CG C 13 27.051 0 . 1 . . . . 321 ARG CG . 16914 1 56 . 1 1 14 14 ARG N N 15 125.137 0.051 . 1 . . . . 321 ARG N . 16914 1 57 . 1 1 15 15 ILE H H 1 8.693 0.004 . 1 . . . . 322 ILE H . 16914 1 58 . 1 1 15 15 ILE HA H 1 4.797 0.004 . 1 . . . . 322 ILE HA . 16914 1 59 . 1 1 15 15 ILE HB H 1 1.852 0.003 . 1 . . . . 322 ILE HB . 16914 1 60 . 1 1 15 15 ILE HD11 H 1 0.545 0.008 . . . . . . 322 ILE HD1 . 16914 1 61 . 1 1 15 15 ILE HD12 H 1 0.545 0.008 . . . . . . 322 ILE HD1 . 16914 1 62 . 1 1 15 15 ILE HD13 H 1 0.545 0.008 . . . . . . 322 ILE HD1 . 16914 1 63 . 1 1 15 15 ILE HG12 H 1 1.257 0.005 . . . . . . 322 ILE HG1# . 16914 1 64 . 1 1 15 15 ILE HG13 H 1 1.257 0.005 . . . . . . 322 ILE HG1# . 16914 1 65 . 1 1 15 15 ILE HG21 H 1 -0.135 0.008 . . . . . . 322 ILE HG2# . 16914 1 66 . 1 1 15 15 ILE HG22 H 1 -0.135 0.008 . . . . . . 322 ILE HG2# . 16914 1 67 . 1 1 15 15 ILE HG23 H 1 -0.135 0.008 . . . . . . 322 ILE HG2# . 16914 1 68 . 1 1 15 15 ILE C C 13 173.769 0 . 1 . . . . 322 ILE C . 16914 1 69 . 1 1 15 15 ILE CA C 13 58.809 0.025 . 1 . . . . 322 ILE CA . 16914 1 70 . 1 1 15 15 ILE CB C 13 39.039 0.109 . 1 . . . . 322 ILE CB . 16914 1 71 . 1 1 15 15 ILE CD1 C 13 12.701 0 . 1 . . . . 322 ILE CD1 . 16914 1 72 . 1 1 15 15 ILE CG1 C 13 26.238 0 . 1 . . . . 322 ILE CG1 . 16914 1 73 . 1 1 15 15 ILE CG2 C 13 17.276 0 . 1 . . . . 322 ILE CG2 . 16914 1 74 . 1 1 15 15 ILE N N 15 127.473 0.056 . 1 . . . . 322 ILE N . 16914 1 75 . 1 1 16 16 GLN H H 1 8.503 0.004 . 1 . . . . 323 GLN H . 16914 1 76 . 1 1 16 16 GLN HA H 1 4.856 0.009 . 1 . . . . 323 GLN HA . 16914 1 77 . 1 1 16 16 GLN HB2 H 1 2.138 0.012 . . . . . . 323 GLN HB1 . 16914 1 78 . 1 1 16 16 GLN HB3 H 1 1.875 0.013 . 2 . . . . 323 GLN HB2 . 16914 1 79 . 1 1 16 16 GLN HG2 H 1 2.212 0.014 . . . . . . 323 GLN HG1 . 16914 1 80 . 1 1 16 16 GLN HG3 H 1 1.859 0.003 . 2 . . . . 323 GLN HG2 . 16914 1 81 . 1 1 16 16 GLN C C 13 173.572 0 . 1 . . . . 323 GLN C . 16914 1 82 . 1 1 16 16 GLN CA C 13 54.257 0.045 . 1 . . . . 323 GLN CA . 16914 1 83 . 1 1 16 16 GLN CB C 13 30.808 0.054 . 1 . . . . 323 GLN CB . 16914 1 84 . 1 1 16 16 GLN CG C 13 34.578 0.05 . 1 . . . . 323 GLN CG . 16914 1 85 . 1 1 16 16 GLN N N 15 127.531 0.078 . 1 . . . . 323 GLN N . 16914 1 86 . 1 1 17 17 PHE H H 1 9.486 0.007 . 1 . . . . 324 PHE H . 16914 1 87 . 1 1 17 17 PHE HA H 1 4.705 0.01 . 1 . . . . 324 PHE HA . 16914 1 88 . 1 1 17 17 PHE HB2 H 1 1.799 0.01 . . . . . . 324 PHE HB1 . 16914 1 89 . 1 1 17 17 PHE HB3 H 1 1.643 0.007 . 2 . . . . 324 PHE HB2 . 16914 1 90 . 1 1 17 17 PHE HD1 H 1 6.978 0.012 . . . . . . 324 PHE HD# . 16914 1 91 . 1 1 17 17 PHE HD2 H 1 6.978 0.012 . . . . . . 324 PHE HD# . 16914 1 92 . 1 1 17 17 PHE HE1 H 1 7.153 0 . . . . . . 324 PHE HE# . 16914 1 93 . 1 1 17 17 PHE HE2 H 1 7.153 0 . . . . . . 324 PHE HE# . 16914 1 94 . 1 1 17 17 PHE C C 13 174.564 0 . 1 . . . . 324 PHE C . 16914 1 95 . 1 1 17 17 PHE CA C 13 56.27 0.02 . 1 . . . . 324 PHE CA . 16914 1 96 . 1 1 17 17 PHE CB C 13 39.418 0.05 . 1 . . . . 324 PHE CB . 16914 1 97 . 1 1 17 17 PHE N N 15 126.764 0.045 . 1 . . . . 324 PHE N . 16914 1 98 . 1 1 18 18 ARG H H 1 9.006 0.005 . 1 . . . . 325 ARG H . 16914 1 99 . 1 1 18 18 ARG HA H 1 4.629 0.007 . 1 . . . . 325 ARG HA . 16914 1 100 . 1 1 18 18 ARG HB2 H 1 1.909 0.019 . . . . . . 325 ARG HB1 . 16914 1 101 . 1 1 18 18 ARG HB3 H 1 1.707 0.023 . 2 . . . . 325 ARG HB2 . 16914 1 102 . 1 1 18 18 ARG HD2 H 1 3.09 0.005 . . . . . . 325 ARG HD# . 16914 1 103 . 1 1 18 18 ARG HD3 H 1 3.09 0.005 . . . . . . 325 ARG HD# . 16914 1 104 . 1 1 18 18 ARG HE H 1 7.116 0 . 1 . . . . 325 ARG HE . 16914 1 105 . 1 1 18 18 ARG HG2 H 1 1.522 0.011 . . . . . . 325 ARG HG# . 16914 1 106 . 1 1 18 18 ARG HG3 H 1 1.522 0.011 . . . . . . 325 ARG HG# . 16914 1 107 . 1 1 18 18 ARG C C 13 175.443 0 . 1 . . . . 325 ARG C . 16914 1 108 . 1 1 18 18 ARG CA C 13 55.216 0 . 1 . . . . 325 ARG CA . 16914 1 109 . 1 1 18 18 ARG CB C 13 31.098 0.024 . 1 . . . . 325 ARG CB . 16914 1 110 . 1 1 18 18 ARG CD C 13 43.08 0.084 . 1 . . . . 325 ARG CD . 16914 1 111 . 1 1 18 18 ARG CG C 13 28.51 0 . 1 . . . . 325 ARG CG . 16914 1 112 . 1 1 18 18 ARG N N 15 121.677 0.027 . 1 . . . . 325 ARG N . 16914 1 113 . 1 1 18 18 ARG NE N 15 113.289 0 . 1 . . . . 325 ARG NE . 16914 1 114 . 1 1 19 19 LEU H H 1 8.598 0.005 . 1 . . . . 326 LEU H . 16914 1 115 . 1 1 19 19 LEU HA H 1 4.657 0.01 . 1 . . . . 326 LEU HA . 16914 1 116 . 1 1 19 19 LEU HB2 H 1 1.459 0.017 . . . . . . 326 LEU HB1 . 16914 1 117 . 1 1 19 19 LEU HB3 H 1 1.991 0.016 . 2 . . . . 326 LEU HB2 . 16914 1 118 . 1 1 19 19 LEU CA C 13 53.336 0 . 1 . . . . 326 LEU CA . 16914 1 119 . 1 1 19 19 LEU CB C 13 40.8 0.053 . 1 . . . . 326 LEU CB . 16914 1 120 . 1 1 19 19 LEU N N 15 124.794 0.049 . 1 . . . . 326 LEU N . 16914 1 121 . 1 1 20 20 PRO HA H 1 4.353 0.003 . 1 . . . . 327 PRO HA . 16914 1 122 . 1 1 20 20 PRO HB2 H 1 2.44 0.009 . . . . . . 327 PRO HB1 . 16914 1 123 . 1 1 20 20 PRO HB3 H 1 1.966 0.009 . 2 . . . . 327 PRO HB2 . 16914 1 124 . 1 1 20 20 PRO HD2 H 1 3.238 0.003 . . . . . . 327 PRO HD1 . 16914 1 125 . 1 1 20 20 PRO HD3 H 1 3.512 0.009 . 2 . . . . 327 PRO HD2 . 16914 1 126 . 1 1 20 20 PRO HG2 H 1 1.9 0.012 . . . . . . 327 PRO HG1 . 16914 1 127 . 1 1 20 20 PRO HG3 H 1 1.731 0.005 . 2 . . . . 327 PRO HG2 . 16914 1 128 . 1 1 20 20 PRO C C 13 176.562 0 . 1 . . . . 327 PRO C . 16914 1 129 . 1 1 20 20 PRO CA C 13 65.418 0.056 . 1 . . . . 327 PRO CA . 16914 1 130 . 1 1 20 20 PRO CB C 13 32.029 0.023 . 1 . . . . 327 PRO CB . 16914 1 131 . 1 1 20 20 PRO CD C 13 50.666 0.048 . 1 . . . . 327 PRO CD . 16914 1 132 . 1 1 20 20 PRO CG C 13 28.139 0 . 1 . . . . 327 PRO CG . 16914 1 133 . 1 1 21 21 ASP H H 1 7.417 0.005 . 1 . . . . 328 ASP H . 16914 1 134 . 1 1 21 21 ASP HA H 1 4.584 0.005 . 1 . . . . 328 ASP HA . 16914 1 135 . 1 1 21 21 ASP HB2 H 1 3.134 0.009 . . . . . . 328 ASP HB1 . 16914 1 136 . 1 1 21 21 ASP HB3 H 1 2.696 0.005 . 2 . . . . 328 ASP HB2 . 16914 1 137 . 1 1 21 21 ASP C C 13 177.084 0 . 1 . . . . 328 ASP C . 16914 1 138 . 1 1 21 21 ASP CA C 13 53.361 0.002 . 1 . . . . 328 ASP CA . 16914 1 139 . 1 1 21 21 ASP CB C 13 39.983 0.018 . 1 . . . . 328 ASP CB . 16914 1 140 . 1 1 21 21 ASP N N 15 113.3 0.053 . 1 . . . . 328 ASP N . 16914 1 141 . 1 1 22 22 GLY H H 1 8.221 0.005 . 1 . . . . 329 GLY H . 16914 1 142 . 1 1 22 22 GLY HA2 H 1 4.407 0.009 . . . . . . 329 GLY HA1 . 16914 1 143 . 1 1 22 22 GLY HA3 H 1 3.697 0.008 . 2 . . . . 329 GLY HA2 . 16914 1 144 . 1 1 22 22 GLY C C 13 174.542 0 . 1 . . . . 329 GLY C . 16914 1 145 . 1 1 22 22 GLY CA C 13 45.175 0.073 . 1 . . . . 329 GLY CA . 16914 1 146 . 1 1 22 22 GLY N N 15 108.532 0.053 . 1 . . . . 329 GLY N . 16914 1 147 . 1 1 23 23 SER H H 1 8.269 0.006 . 1 . . . . 330 SER H . 16914 1 148 . 1 1 23 23 SER HA H 1 4.594 0.004 . 1 . . . . 330 SER HA . 16914 1 149 . 1 1 23 23 SER HB2 H 1 4.156 0.005 . . . . . . 330 SER HB1 . 16914 1 150 . 1 1 23 23 SER HB3 H 1 3.961 0.008 . 2 . . . . 330 SER HB2 . 16914 1 151 . 1 1 23 23 SER C C 13 172.445 0 . 1 . . . . 330 SER C . 16914 1 152 . 1 1 23 23 SER CA C 13 58.916 0.009 . 1 . . . . 330 SER CA . 16914 1 153 . 1 1 23 23 SER CB C 13 64.589 0.026 . 1 . . . . 330 SER CB . 16914 1 154 . 1 1 23 23 SER N N 15 118.724 0.035 . 1 . . . . 330 SER N . 16914 1 155 . 1 1 24 24 SER H H 1 8.462 0.004 . 1 . . . . 331 SER H . 16914 1 156 . 1 1 24 24 SER HA H 1 5.691 0.014 . 1 . . . . 331 SER HA . 16914 1 157 . 1 1 24 24 SER HB2 H 1 3.828 0.009 . . . . . . 331 SER HB1 . 16914 1 158 . 1 1 24 24 SER HB3 H 1 3.693 0.006 . 2 . . . . 331 SER HB2 . 16914 1 159 . 1 1 24 24 SER C C 13 173.4 0 . 1 . . . . 331 SER C . 16914 1 160 . 1 1 24 24 SER CA C 13 57.575 0.065 . 1 . . . . 331 SER CA . 16914 1 161 . 1 1 24 24 SER CB C 13 67.522 0.084 . 1 . . . . 331 SER CB . 16914 1 162 . 1 1 24 24 SER N N 15 111.042 0.035 . 1 . . . . 331 SER N . 16914 1 163 . 1 1 25 25 PHE H H 1 8.292 0.005 . 1 . . . . 332 PHE H . 16914 1 164 . 1 1 25 25 PHE HA H 1 5.195 0.008 . 1 . . . . 332 PHE HA . 16914 1 165 . 1 1 25 25 PHE HB2 H 1 3.36 0.008 . . . . . . 332 PHE HB# . 16914 1 166 . 1 1 25 25 PHE HB3 H 1 3.36 0.008 . . . . . . 332 PHE HB# . 16914 1 167 . 1 1 25 25 PHE HD1 H 1 7.128 0.01 . . . . . . 332 PHE HD# . 16914 1 168 . 1 1 25 25 PHE HD2 H 1 7.128 0.01 . . . . . . 332 PHE HD# . 16914 1 169 . 1 1 25 25 PHE HE1 H 1 6.68 0.01 . . . . . . 332 PHE HE# . 16914 1 170 . 1 1 25 25 PHE HE2 H 1 6.68 0.01 . . . . . . 332 PHE HE# . 16914 1 171 . 1 1 25 25 PHE C C 13 173.777 0 . 1 . . . . 332 PHE C . 16914 1 172 . 1 1 25 25 PHE CA C 13 56.495 0 . 1 . . . . 332 PHE CA . 16914 1 173 . 1 1 25 25 PHE CB C 13 40.94 0.008 . 1 . . . . 332 PHE CB . 16914 1 174 . 1 1 25 25 PHE N N 15 115.514 0.021 . 1 . . . . 332 PHE N . 16914 1 175 . 1 1 26 26 THR H H 1 9.093 0.006 . 1 . . . . 333 THR H . 16914 1 176 . 1 1 26 26 THR HA H 1 5.936 0.012 . 1 . . . . 333 THR HA . 16914 1 177 . 1 1 26 26 THR HB H 1 3.97 0.004 . 1 . . . . 333 THR HB . 16914 1 178 . 1 1 26 26 THR HG21 H 1 1.089 0.007 . . . . . . 333 THR HG2# . 16914 1 179 . 1 1 26 26 THR HG22 H 1 1.089 0.007 . . . . . . 333 THR HG2# . 16914 1 180 . 1 1 26 26 THR HG23 H 1 1.089 0.007 . . . . . . 333 THR HG2# . 16914 1 181 . 1 1 26 26 THR C C 13 173.731 0 . 1 . . . . 333 THR C . 16914 1 182 . 1 1 26 26 THR CA C 13 61.161 0.008 . 1 . . . . 333 THR CA . 16914 1 183 . 1 1 26 26 THR CB C 13 72.179 0.025 . 1 . . . . 333 THR CB . 16914 1 184 . 1 1 26 26 THR CG2 C 13 21.097 0 . . . . . . 333 THR CG . 16914 1 185 . 1 1 26 26 THR N N 15 116.22 0.04 . 1 . . . . 333 THR N . 16914 1 186 . 1 1 27 27 ASN H H 1 8.813 0.005 . 1 . . . . 334 ASN H . 16914 1 187 . 1 1 27 27 ASN HA H 1 4.81 0.006 . 1 . . . . 334 ASN HA . 16914 1 188 . 1 1 27 27 ASN HB2 H 1 2.353 0.007 . . . . . . 334 ASN HB1 . 16914 1 189 . 1 1 27 27 ASN HB3 H 1 1.792 0.006 . 2 . . . . 334 ASN HB2 . 16914 1 190 . 1 1 27 27 ASN C C 13 171.834 0 . 1 . . . . 334 ASN C . 16914 1 191 . 1 1 27 27 ASN CA C 13 52.21 0.077 . 1 . . . . 334 ASN CA . 16914 1 192 . 1 1 27 27 ASN CB C 13 43.147 0.063 . 1 . . . . 334 ASN CB . 16914 1 193 . 1 1 27 27 ASN N N 15 119.932 0.026 . 1 . . . . 334 ASN N . 16914 1 194 . 1 1 28 28 GLN H H 1 7.552 0.007 . 1 . . . . 335 GLN H . 16914 1 195 . 1 1 28 28 GLN HA H 1 5.181 0.013 . 1 . . . . 335 GLN HA . 16914 1 196 . 1 1 28 28 GLN HB2 H 1 1.755 0.006 . . . . . . 335 GLN HB# . 16914 1 197 . 1 1 28 28 GLN HB3 H 1 1.755 0.006 . . . . . . 335 GLN HB# . 16914 1 198 . 1 1 28 28 GLN HG2 H 1 2.052 0.009 . . . . . . 335 GLN HG# . 16914 1 199 . 1 1 28 28 GLN HG3 H 1 2.052 0.009 . . . . . . 335 GLN HG# . 16914 1 200 . 1 1 28 28 GLN C C 13 173.423 0 . 1 . . . . 335 GLN C . 16914 1 201 . 1 1 28 28 GLN CA C 13 54.398 0.003 . 1 . . . . 335 GLN CA . 16914 1 202 . 1 1 28 28 GLN CB C 13 31.186 0 . 1 . . . . 335 GLN CB . 16914 1 203 . 1 1 28 28 GLN CG C 13 34.743 0.038 . 1 . . . . 335 GLN CG . 16914 1 204 . 1 1 28 28 GLN N N 15 120.418 0.025 . 1 . . . . 335 GLN N . 16914 1 205 . 1 1 29 29 PHE H H 1 8.762 0.006 . 1 . . . . 336 PHE H . 16914 1 206 . 1 1 29 29 PHE HA H 1 4.857 0.006 . 1 . . . . 336 PHE HA . 16914 1 207 . 1 1 29 29 PHE HB2 H 1 2.374 0.009 . . . . . . 336 PHE HB1 . 16914 1 208 . 1 1 29 29 PHE HB3 H 1 2.997 0.012 . 2 . . . . 336 PHE HB2 . 16914 1 209 . 1 1 29 29 PHE HD1 H 1 7.317 0.012 . . . . . . 336 PHE HD# . 16914 1 210 . 1 1 29 29 PHE HD2 H 1 7.317 0.012 . . . . . . 336 PHE HD# . 16914 1 211 . 1 1 29 29 PHE HE1 H 1 7.22 0.011 . . . . . . 336 PHE HE# . 16914 1 212 . 1 1 29 29 PHE HE2 H 1 7.22 0.011 . . . . . . 336 PHE HE# . 16914 1 213 . 1 1 29 29 PHE CA C 13 55.162 0 . 1 . . . . 336 PHE CA . 16914 1 214 . 1 1 29 29 PHE CB C 13 42.275 0.036 . 1 . . . . 336 PHE CB . 16914 1 215 . 1 1 29 29 PHE N N 15 120.713 0.032 . 1 . . . . 336 PHE N . 16914 1 216 . 1 1 30 30 PRO HA H 1 4.802 0.012 . 1 . . . . 337 PRO HA . 16914 1 217 . 1 1 30 30 PRO HB2 H 1 2.542 0.006 . . . . . . 337 PRO HB1 . 16914 1 218 . 1 1 30 30 PRO HB3 H 1 2.145 0.007 . 2 . . . . 337 PRO HB2 . 16914 1 219 . 1 1 30 30 PRO HD2 H 1 3.78 0.005 . . . . . . 337 PRO HD1 . 16914 1 220 . 1 1 30 30 PRO HD3 H 1 3.988 0.004 . 2 . . . . 337 PRO HD2 . 16914 1 221 . 1 1 30 30 PRO HG2 H 1 2.34 0.008 . . . . . . 337 PRO HG1 . 16914 1 222 . 1 1 30 30 PRO HG3 H 1 2.134 0.005 . 2 . . . . 337 PRO HG2 . 16914 1 223 . 1 1 30 30 PRO C C 13 178.659 0 . 1 . . . . 337 PRO C . 16914 1 224 . 1 1 30 30 PRO CA C 13 63.353 0 . 1 . . . . 337 PRO CA . 16914 1 225 . 1 1 30 30 PRO CB C 13 31.896 0.041 . 1 . . . . 337 PRO CB . 16914 1 226 . 1 1 30 30 PRO CD C 13 50.431 0.112 . 1 . . . . 337 PRO CD . 16914 1 227 . 1 1 30 30 PRO CG C 13 29.036 0 . 1 . . . . 337 PRO CG . 16914 1 228 . 1 1 31 31 SER H H 1 8.583 0.007 . 1 . . . . 338 SER H . 16914 1 229 . 1 1 31 31 SER HA H 1 3.88 0.007 . 1 . . . . 338 SER HA . 16914 1 230 . 1 1 31 31 SER HB2 H 1 3.737 0.005 . . . . . . 338 SER HB1 . 16914 1 231 . 1 1 31 31 SER HB3 H 1 3.398 0.008 . 2 . . . . 338 SER HB2 . 16914 1 232 . 1 1 31 31 SER C C 13 172.591 0 . 1 . . . . 338 SER C . 16914 1 233 . 1 1 31 31 SER CA C 13 60.772 0.036 . 1 . . . . 338 SER CA . 16914 1 234 . 1 1 31 31 SER CB C 13 30.629 0.016 . 1 . . . . 338 SER CB . 16914 1 235 . 1 1 31 31 SER N N 15 118.275 0.033 . 1 . . . . 338 SER N . 16914 1 236 . 1 1 32 32 ASP H H 1 8.199 0.005 . 1 . . . . 339 ASP H . 16914 1 237 . 1 1 32 32 ASP HA H 1 4.486 0.007 . 1 . . . . 339 ASP HA . 16914 1 238 . 1 1 32 32 ASP HB2 H 1 2.871 0.005 . . . . . . 339 ASP HB1 . 16914 1 239 . 1 1 32 32 ASP HB3 H 1 2.576 0.011 . 2 . . . . 339 ASP HB2 . 16914 1 240 . 1 1 32 32 ASP C C 13 175.026 0 . 1 . . . . 339 ASP C . 16914 1 241 . 1 1 32 32 ASP CA C 13 52.638 0.065 . 1 . . . . 339 ASP CA . 16914 1 242 . 1 1 32 32 ASP CB C 13 39.761 0.029 . 1 . . . . 339 ASP CB . 16914 1 243 . 1 1 32 32 ASP N N 15 115.908 0.053 . 1 . . . . 339 ASP N . 16914 1 244 . 1 1 33 33 ALA H H 1 7.671 0.004 . 1 . . . . 340 ALA H . 16914 1 245 . 1 1 33 33 ALA HA H 1 4.508 0.006 . 1 . . . . 340 ALA HA . 16914 1 246 . 1 1 33 33 ALA HB1 H 1 1.416 0.007 . . . . . . 340 ALA HB# . 16914 1 247 . 1 1 33 33 ALA HB2 H 1 1.416 0.007 . . . . . . 340 ALA HB# . 16914 1 248 . 1 1 33 33 ALA HB3 H 1 1.416 0.007 . . . . . . 340 ALA HB# . 16914 1 249 . 1 1 33 33 ALA CA C 13 50.552 0.07 . 1 . . . . 340 ALA CA . 16914 1 250 . 1 1 33 33 ALA CB C 13 17.81 0 . 1 . . . . 340 ALA CB . 16914 1 251 . 1 1 33 33 ALA N N 15 123.719 0.022 . 1 . . . . 340 ALA N . 16914 1 252 . 1 1 34 34 PRO HA H 1 4.859 0.009 . 1 . . . . 341 PRO HA . 16914 1 253 . 1 1 34 34 PRO HB2 H 1 2.118 0.007 . . . . . . 341 PRO HB# . 16914 1 254 . 1 1 34 34 PRO HB3 H 1 2.118 0.007 . . . . . . 341 PRO HB# . 16914 1 255 . 1 1 34 34 PRO HD2 H 1 3.809 0.009 . . . . . . 341 PRO HD# . 16914 1 256 . 1 1 34 34 PRO HD3 H 1 3.809 0.009 . . . . . . 341 PRO HD# . 16914 1 257 . 1 1 34 34 PRO C C 13 178.557 0 . 1 . . . . 341 PRO C . 16914 1 258 . 1 1 34 34 PRO CA C 13 61.512 0.008 . 1 . . . . 341 PRO CA . 16914 1 259 . 1 1 34 34 PRO CB C 13 31.49 0.025 . 1 . . . . 341 PRO CB . 16914 1 260 . 1 1 34 34 PRO CD C 13 49.648 0.09 . 1 . . . . 341 PRO CD . 16914 1 261 . 1 1 34 34 PRO CG C 13 28.364 0 . 1 . . . . 341 PRO CG . 16914 1 262 . 1 1 35 35 LEU H H 1 8.41 0.005 . 1 . . . . 342 LEU H . 16914 1 263 . 1 1 35 35 LEU HA H 1 3.764 0.007 . 1 . . . . 342 LEU HA . 16914 1 264 . 1 1 35 35 LEU HB2 H 1 1.748 0.004 . . . . . . 342 LEU HB1 . 16914 1 265 . 1 1 35 35 LEU HB3 H 1 0.969 0.008 . 2 . . . . 342 LEU HB2 . 16914 1 266 . 1 1 35 35 LEU HD11 H 1 -0.586 0.267 . . . . . . 342 LEU HD1# . 16914 1 267 . 1 1 35 35 LEU HD12 H 1 -0.586 0.267 . . . . . . 342 LEU HD1# . 16914 1 268 . 1 1 35 35 LEU HD13 H 1 -0.586 0.267 . . . . . . 342 LEU HD1# . 16914 1 269 . 1 1 35 35 LEU HD21 H 1 0.513 1.169 . . . . . . 342 LEU HD2# . 16914 1 270 . 1 1 35 35 LEU HD22 H 1 0.513 1.169 . . . . . . 342 LEU HD2# . 16914 1 271 . 1 1 35 35 LEU HD23 H 1 0.513 1.169 . . . . . . 342 LEU HD2# . 16914 1 272 . 1 1 35 35 LEU HG H 1 1.27 0.003 . 1 . . . . 342 LEU HG . 16914 1 273 . 1 1 35 35 LEU C C 13 178.365 0 . 1 . . . . 342 LEU C . 16914 1 274 . 1 1 35 35 LEU CA C 13 57.813 0.031 . 1 . . . . 342 LEU CA . 16914 1 275 . 1 1 35 35 LEU CB C 13 40.204 0.049 . 1 . . . . 342 LEU CB . 16914 1 276 . 1 1 35 35 LEU CD1 C 13 23.951 0.027 . 2 . . . . 342 LEU CD1 . 16914 1 277 . 1 1 35 35 LEU CD2 C 13 21.958 0.151 . 2 . . . . 342 LEU CD2 . 16914 1 278 . 1 1 35 35 LEU CG C 13 26.288 0 . 1 . . . . 342 LEU CG . 16914 1 279 . 1 1 35 35 LEU N N 15 123.644 0.052 . 1 . . . . 342 LEU N . 16914 1 280 . 1 1 36 36 GLU H H 1 8.992 0.005 . 1 . . . . 343 GLU H . 16914 1 281 . 1 1 36 36 GLU HA H 1 4.337 0.003 . 1 . . . . 343 GLU HA . 16914 1 282 . 1 1 36 36 GLU HB2 H 1 2.385 0.007 . . . . . . 343 GLU HB1 . 16914 1 283 . 1 1 36 36 GLU HB3 H 1 1.708 0.006 . 2 . . . . 343 GLU HB2 . 16914 1 284 . 1 1 36 36 GLU HG2 H 1 2.364 0.006 . . . . . . 343 GLU HG1 . 16914 1 285 . 1 1 36 36 GLU HG3 H 1 2.199 0.003 . 2 . . . . 343 GLU HG2 . 16914 1 286 . 1 1 36 36 GLU C C 13 177.438 0 . 1 . . . . 343 GLU C . 16914 1 287 . 1 1 36 36 GLU CA C 13 58.76 0.062 . 1 . . . . 343 GLU CA . 16914 1 288 . 1 1 36 36 GLU CB C 13 30.066 0.001 . 1 . . . . 343 GLU CB . 16914 1 289 . 1 1 36 36 GLU CG C 13 34.443 0.036 . 1 . . . . 343 GLU CG . 16914 1 290 . 1 1 36 36 GLU N N 15 119.025 0.035 . 1 . . . . 343 GLU N . 16914 1 291 . 1 1 37 37 GLU H H 1 7.965 0.006 . 1 . . . . 344 GLU H . 16914 1 292 . 1 1 37 37 GLU HA H 1 4.144 0.003 . 1 . . . . 344 GLU HA . 16914 1 293 . 1 1 37 37 GLU HB2 H 1 2.152 0.014 . . . . . . 344 GLU HB# . 16914 1 294 . 1 1 37 37 GLU HB3 H 1 2.152 0.014 . . . . . . 344 GLU HB# . 16914 1 295 . 1 1 37 37 GLU HG2 H 1 2.489 0.006 . . . . . . 344 GLU HG1 . 16914 1 296 . 1 1 37 37 GLU HG3 H 1 2.354 0.008 . 2 . . . . 344 GLU HG2 . 16914 1 297 . 1 1 37 37 GLU C C 13 180.045 0 . 1 . . . . 344 GLU C . 16914 1 298 . 1 1 37 37 GLU CA C 13 59.883 0.03 . 1 . . . . 344 GLU CA . 16914 1 299 . 1 1 37 37 GLU CB C 13 29.518 0.003 . 1 . . . . 344 GLU CB . 16914 1 300 . 1 1 37 37 GLU CG C 13 36.922 0.042 . 1 . . . . 344 GLU CG . 16914 1 301 . 1 1 37 37 GLU N N 15 118.358 0.03 . 1 . . . . 344 GLU N . 16914 1 302 . 1 1 38 38 ALA H H 1 7.108 0.005 . 1 . . . . 345 ALA H . 16914 1 303 . 1 1 38 38 ALA HA H 1 4.213 0.014 . 1 . . . . 345 ALA HA . 16914 1 304 . 1 1 38 38 ALA HB1 H 1 1.006 0.013 . . . . . . 345 ALA HB# . 16914 1 305 . 1 1 38 38 ALA HB2 H 1 1.006 0.013 . . . . . . 345 ALA HB# . 16914 1 306 . 1 1 38 38 ALA HB3 H 1 1.006 0.013 . . . . . . 345 ALA HB# . 16914 1 307 . 1 1 38 38 ALA C C 13 178.865 0 . 1 . . . . 345 ALA C . 16914 1 308 . 1 1 38 38 ALA CA C 13 54.521 0.047 . 1 . . . . 345 ALA CA . 16914 1 309 . 1 1 38 38 ALA CB C 13 16.862 0.007 . 1 . . . . 345 ALA CB . 16914 1 310 . 1 1 38 38 ALA N N 15 121.734 0.034 . 1 . . . . 345 ALA N . 16914 1 311 . 1 1 39 39 ARG H H 1 8.258 0.005 . 1 . . . . 346 ARG H . 16914 1 312 . 1 1 39 39 ARG HA H 1 3.969 0.005 . 1 . . . . 346 ARG HA . 16914 1 313 . 1 1 39 39 ARG HB2 H 1 2.107 0.01 . . . . . . 346 ARG HB1 . 16914 1 314 . 1 1 39 39 ARG HB3 H 1 1.736 0.018 . 2 . . . . 346 ARG HB2 . 16914 1 315 . 1 1 39 39 ARG HD2 H 1 2.827 0.007 . . . . . . 346 ARG HD1 . 16914 1 316 . 1 1 39 39 ARG HD3 H 1 2.412 0.008 . 2 . . . . 346 ARG HD2 . 16914 1 317 . 1 1 39 39 ARG HG2 H 1 1.632 0.008 . . . . . . 346 ARG HG# . 16914 1 318 . 1 1 39 39 ARG HG3 H 1 1.632 0.008 . . . . . . 346 ARG HG# . 16914 1 319 . 1 1 39 39 ARG C C 13 178.199 0 . 1 . . . . 346 ARG C . 16914 1 320 . 1 1 39 39 ARG CA C 13 60.904 0.023 . 1 . . . . 346 ARG CA . 16914 1 321 . 1 1 39 39 ARG CB C 13 29.48 0.002 . 1 . . . . 346 ARG CB . 16914 1 322 . 1 1 39 39 ARG CD C 13 41.907 0.103 . 1 . . . . 346 ARG CD . 16914 1 323 . 1 1 39 39 ARG CG C 13 26.1 0 . 1 . . . . 346 ARG CG . 16914 1 324 . 1 1 39 39 ARG N N 15 119.733 0.023 . 1 . . . . 346 ARG N . 16914 1 325 . 1 1 40 40 GLN H H 1 8.819 0.004 . 1 . . . . 347 GLN H . 16914 1 326 . 1 1 40 40 GLN HA H 1 4.049 0.002 . 1 . . . . 347 GLN HA . 16914 1 327 . 1 1 40 40 GLN HB2 H 1 2.214 0.01 . . . . . . 347 GLN HB# . 16914 1 328 . 1 1 40 40 GLN HB3 H 1 2.214 0.01 . . . . . . 347 GLN HB# . 16914 1 329 . 1 1 40 40 GLN HE21 H 1 6.781 0.001 . 2 . . . . 347 GLN HE21 . 16914 1 330 . 1 1 40 40 GLN HG2 H 1 2.611 0.005 . . . . . . 347 GLN HG1 . 16914 1 331 . 1 1 40 40 GLN HG3 H 1 2.482 0.007 . 2 . . . . 347 GLN HG2 . 16914 1 332 . 1 1 40 40 GLN C C 13 178.491 0 . 1 . . . . 347 GLN C . 16914 1 333 . 1 1 40 40 GLN CA C 13 59.088 0.026 . 1 . . . . 347 GLN CA . 16914 1 334 . 1 1 40 40 GLN CB C 13 28.038 0.022 . 1 . . . . 347 GLN CB . 16914 1 335 . 1 1 40 40 GLN CG C 13 33.915 0.05 . 1 . . . . 347 GLN CG . 16914 1 336 . 1 1 40 40 GLN N N 15 118.143 0.051 . 1 . . . . 347 GLN N . 16914 1 337 . 1 1 40 40 GLN NE2 N 15 111.575 0.004 . 1 . . . . 347 GLN NE2 . 16914 1 338 . 1 1 41 41 PHE H H 1 7.99 0.005 . 1 . . . . 348 PHE H . 16914 1 339 . 1 1 41 41 PHE HA H 1 4.309 0.004 . 1 . . . . 348 PHE HA . 16914 1 340 . 1 1 41 41 PHE HB2 H 1 3.777 0.006 . . . . . . 348 PHE HB1 . 16914 1 341 . 1 1 41 41 PHE HB3 H 1 3.476 0.007 . 2 . . . . 348 PHE HB2 . 16914 1 342 . 1 1 41 41 PHE HD1 H 1 7.24 0.019 . . . . . . 348 PHE HD# . 16914 1 343 . 1 1 41 41 PHE HD2 H 1 7.24 0.019 . . . . . . 348 PHE HD# . 16914 1 344 . 1 1 41 41 PHE HE1 H 1 7.299 0.014 . . . . . . 348 PHE HE# . 16914 1 345 . 1 1 41 41 PHE HE2 H 1 7.299 0.014 . . . . . . 348 PHE HE# . 16914 1 346 . 1 1 41 41 PHE CA C 13 61.808 0.076 . 1 . . . . 348 PHE CA . 16914 1 347 . 1 1 41 41 PHE CB C 13 39.317 0.059 . 1 . . . . 348 PHE CB . 16914 1 348 . 1 1 41 41 PHE N N 15 120.752 0.036 . 1 . . . . 348 PHE N . 16914 1 349 . 1 1 42 42 ALA H H 1 8.372 0.006 . 1 . . . . 349 ALA H . 16914 1 350 . 1 1 42 42 ALA HA H 1 3.593 0.018 . 1 . . . . 349 ALA HA . 16914 1 351 . 1 1 42 42 ALA HB1 H 1 1.317 0.011 . . . . . . 349 ALA HB# . 16914 1 352 . 1 1 42 42 ALA HB2 H 1 1.317 0.011 . . . . . . 349 ALA HB# . 16914 1 353 . 1 1 42 42 ALA HB3 H 1 1.317 0.011 . . . . . . 349 ALA HB# . 16914 1 354 . 1 1 42 42 ALA C C 13 178.587 0 . 1 . . . . 349 ALA C . 16914 1 355 . 1 1 42 42 ALA CA C 13 55.757 0.009 . 1 . . . . 349 ALA CA . 16914 1 356 . 1 1 42 42 ALA CB C 13 17.085 0.018 . 1 . . . . 349 ALA CB . 16914 1 357 . 1 1 42 42 ALA N N 15 123.911 0.024 . 1 . . . . 349 ALA N . 16914 1 358 . 1 1 43 43 ALA H H 1 8.962 0.006 . 1 . . . . 350 ALA H . 16914 1 359 . 1 1 43 43 ALA HA H 1 4.291 0.01 . 1 . . . . 350 ALA HA . 16914 1 360 . 1 1 43 43 ALA HB1 H 1 1.65 0.01 . . . . . . 350 ALA HB# . 16914 1 361 . 1 1 43 43 ALA HB2 H 1 1.65 0.01 . . . . . . 350 ALA HB# . 16914 1 362 . 1 1 43 43 ALA HB3 H 1 1.65 0.01 . . . . . . 350 ALA HB# . 16914 1 363 . 1 1 43 43 ALA C C 13 180.511 0 . 1 . . . . 350 ALA C . 16914 1 364 . 1 1 43 43 ALA CA C 13 55.66 0 . 1 . . . . 350 ALA CA . 16914 1 365 . 1 1 43 43 ALA CB C 13 18.049 0.117 . 1 . . . . 350 ALA CB . 16914 1 366 . 1 1 43 43 ALA N N 15 121.082 0.02 . 1 . . . . 350 ALA N . 16914 1 367 . 1 1 44 44 GLN H H 1 8.22 0.006 . 1 . . . . 351 GLN H . 16914 1 368 . 1 1 44 44 GLN HA H 1 3.983 0.004 . 1 . . . . 351 GLN HA . 16914 1 369 . 1 1 44 44 GLN HB2 H 1 2.119 0.006 . . . . . . 351 GLN HB1 . 16914 1 370 . 1 1 44 44 GLN HB3 H 1 2.008 0.025 . 2 . . . . 351 GLN HB2 . 16914 1 371 . 1 1 44 44 GLN HG2 H 1 2.399 0.011 . . . . . . 351 GLN HG# . 16914 1 372 . 1 1 44 44 GLN HG3 H 1 2.399 0.011 . . . . . . 351 GLN HG# . 16914 1 373 . 1 1 44 44 GLN C C 13 177.567 0 . 1 . . . . 351 GLN C . 16914 1 374 . 1 1 44 44 GLN CA C 13 58.102 0.036 . 1 . . . . 351 GLN CA . 16914 1 375 . 1 1 44 44 GLN CB C 13 28.237 0.017 . 1 . . . . 351 GLN CB . 16914 1 376 . 1 1 44 44 GLN CG C 13 33.962 0.064 . 1 . . . . 351 GLN CG . 16914 1 377 . 1 1 44 44 GLN N N 15 118.09 0.072 . 1 . . . . 351 GLN N . 16914 1 378 . 1 1 45 45 THR H H 1 7.311 0.004 . 1 . . . . 352 THR H . 16914 1 379 . 1 1 45 45 THR HA H 1 3.57 0.011 . 1 . . . . 352 THR HA . 16914 1 380 . 1 1 45 45 THR HB H 1 3.49 0 . 1 . . . . 352 THR HB . 16914 1 381 . 1 1 45 45 THR HG21 H 1 1.527 2.604 . . . . . . 352 THR HG2# . 16914 1 382 . 1 1 45 45 THR HG22 H 1 1.527 2.604 . . . . . . 352 THR HG2# . 16914 1 383 . 1 1 45 45 THR HG23 H 1 1.527 2.604 . . . . . . 352 THR HG2# . 16914 1 384 . 1 1 45 45 THR C C 13 175.853 0 . 1 . . . . 352 THR C . 16914 1 385 . 1 1 45 45 THR CA C 13 66.391 0.06 . 1 . . . . 352 THR CA . 16914 1 386 . 1 1 45 45 THR CB C 13 68.599 0 . 1 . . . . 352 THR CB . 16914 1 387 . 1 1 45 45 THR CG2 C 13 19.734 0 . . . . . . 352 THR CG . 16914 1 388 . 1 1 45 45 THR N N 15 115.735 0.024 . 1 . . . . 352 THR N . 16914 1 389 . 1 1 46 46 VAL H H 1 8.062 0.005 . 1 . . . . 353 VAL H . 16914 1 390 . 1 1 46 46 VAL HA H 1 4.309 0.007 . 1 . . . . 353 VAL HA . 16914 1 391 . 1 1 46 46 VAL HB H 1 2.353 0.004 . 1 . . . . 353 VAL HB . 16914 1 392 . 1 1 46 46 VAL HG11 H 1 0.868 0.004 . . . . . . 353 VAL HG1# . 16914 1 393 . 1 1 46 46 VAL HG12 H 1 0.868 0.004 . . . . . . 353 VAL HG1# . 16914 1 394 . 1 1 46 46 VAL HG13 H 1 0.868 0.004 . . . . . . 353 VAL HG1# . 16914 1 395 . 1 1 46 46 VAL HG21 H 1 0.922 0.007 . . . . . . 353 VAL HG2# . 16914 1 396 . 1 1 46 46 VAL HG22 H 1 0.922 0.007 . . . . . . 353 VAL HG2# . 16914 1 397 . 1 1 46 46 VAL HG23 H 1 0.922 0.007 . . . . . . 353 VAL HG2# . 16914 1 398 . 1 1 46 46 VAL C C 13 177.315 0 . 1 . . . . 353 VAL C . 16914 1 399 . 1 1 46 46 VAL CA C 13 61.644 0.026 . 1 . . . . 353 VAL CA . 16914 1 400 . 1 1 46 46 VAL CB C 13 32.646 0.089 . 1 . . . . 353 VAL CB . 16914 1 401 . 1 1 46 46 VAL CG1 C 13 22.053 0.149 . 2 . . . . 353 VAL CG1 . 16914 1 402 . 1 1 46 46 VAL CG2 C 13 19.241 0.015 . 2 . . . . 353 VAL CG2 . 16914 1 403 . 1 1 46 46 VAL N N 15 111.588 0.045 . 1 . . . . 353 VAL N . 16914 1 404 . 1 1 47 47 GLY H H 1 7.991 0.004 . 1 . . . . 354 GLY H . 16914 1 405 . 1 1 47 47 GLY HA2 H 1 3.947 0.014 . . . . . . 354 GLY HA1 . 16914 1 406 . 1 1 47 47 GLY HA3 H 1 3.852 0 . 2 . . . . 354 GLY HA2 . 16914 1 407 . 1 1 47 47 GLY C C 13 175.127 0 . 1 . . . . 354 GLY C . 16914 1 408 . 1 1 47 47 GLY CA C 13 46.935 0.004 . 1 . . . . 354 GLY CA . 16914 1 409 . 1 1 47 47 GLY N N 15 112.16 0.063 . 1 . . . . 354 GLY N . 16914 1 410 . 1 1 48 48 ASN H H 1 8.882 0.006 . 1 . . . . 355 ASN H . 16914 1 411 . 1 1 48 48 ASN HA H 1 4.943 0.008 . 1 . . . . 355 ASN HA . 16914 1 412 . 1 1 48 48 ASN HB2 H 1 2.843 0.008 . . . . . . 355 ASN HB# . 16914 1 413 . 1 1 48 48 ASN HB3 H 1 2.843 0.008 . . . . . . 355 ASN HB# . 16914 1 414 . 1 1 48 48 ASN C C 13 177.697 0 . 1 . . . . 355 ASN C . 16914 1 415 . 1 1 48 48 ASN CA C 13 53.288 0.012 . 1 . . . . 355 ASN CA . 16914 1 416 . 1 1 48 48 ASN CB C 13 38.72 0.042 . 1 . . . . 355 ASN CB . 16914 1 417 . 1 1 48 48 ASN N N 15 122.906 0.031 . 1 . . . . 355 ASN N . 16914 1 418 . 1 1 49 49 THR H H 1 7.892 0.007 . 1 . . . . 356 THR H . 16914 1 419 . 1 1 49 49 THR HA H 1 3.65 0.009 . 1 . . . . 356 THR HA . 16914 1 420 . 1 1 49 49 THR HB H 1 3.492 0.009 . 1 . . . . 356 THR HB . 16914 1 421 . 1 1 49 49 THR HG21 H 1 0.558 0.008 . . . . . . 356 THR HG2# . 16914 1 422 . 1 1 49 49 THR HG22 H 1 0.558 0.008 . . . . . . 356 THR HG2# . 16914 1 423 . 1 1 49 49 THR HG23 H 1 0.558 0.008 . . . . . . 356 THR HG2# . 16914 1 424 . 1 1 49 49 THR C C 13 173.963 0 . 1 . . . . 356 THR C . 16914 1 425 . 1 1 49 49 THR CA C 13 66.284 0.061 . 1 . . . . 356 THR CA . 16914 1 426 . 1 1 49 49 THR CB C 13 70.021 0.037 . 1 . . . . 356 THR CB . 16914 1 427 . 1 1 49 49 THR CG2 C 13 20.923 0.025 . . . . . . 356 THR CG . 16914 1 428 . 1 1 49 49 THR N N 15 116.346 0.033 . 1 . . . . 356 THR N . 16914 1 429 . 1 1 50 50 TYR H H 1 8.722 0.005 . 1 . . . . 357 TYR H . 16914 1 430 . 1 1 50 50 TYR HA H 1 4.857 0.012 . 1 . . . . 357 TYR HA . 16914 1 431 . 1 1 50 50 TYR HB2 H 1 3.266 0.008 . . . . . . 357 TYR HB1 . 16914 1 432 . 1 1 50 50 TYR HB3 H 1 2.593 0.014 . 2 . . . . 357 TYR HB2 . 16914 1 433 . 1 1 50 50 TYR HD1 H 1 6.935 0.015 . . . . . . 357 TYR HD# . 16914 1 434 . 1 1 50 50 TYR HD2 H 1 6.935 0.015 . . . . . . 357 TYR HD# . 16914 1 435 . 1 1 50 50 TYR HE1 H 1 6.741 0.009 . . . . . . 357 TYR HE# . 16914 1 436 . 1 1 50 50 TYR HE2 H 1 6.741 0.009 . . . . . . 357 TYR HE# . 16914 1 437 . 1 1 50 50 TYR C C 13 175.145 0 . 1 . . . . 357 TYR C . 16914 1 438 . 1 1 50 50 TYR CA C 13 56.949 0.038 . 1 . . . . 357 TYR CA . 16914 1 439 . 1 1 50 50 TYR CB C 13 39.403 0.062 . 1 . . . . 357 TYR CB . 16914 1 440 . 1 1 50 50 TYR N N 15 118.814 0.019 . 1 . . . . 357 TYR N . 16914 1 441 . 1 1 51 51 GLY H H 1 7.59 0.006 . 1 . . . . 358 GLY H . 16914 1 442 . 1 1 51 51 GLY HA2 H 1 4.001 0.016 . . . . . . 358 GLY HA1 . 16914 1 443 . 1 1 51 51 GLY HA3 H 1 3.87 0.01 . 2 . . . . 358 GLY HA2 . 16914 1 444 . 1 1 51 51 GLY C C 13 174.764 0 . 1 . . . . 358 GLY C . 16914 1 445 . 1 1 51 51 GLY CA C 13 45.617 0.123 . 1 . . . . 358 GLY CA . 16914 1 446 . 1 1 51 51 GLY N N 15 106.659 0.052 . 1 . . . . 358 GLY N . 16914 1 447 . 1 1 52 52 ASN H H 1 8.682 0.004 . 1 . . . . 359 ASN H . 16914 1 448 . 1 1 52 52 ASN HA H 1 4.752 0.005 . 1 . . . . 359 ASN HA . 16914 1 449 . 1 1 52 52 ASN HB2 H 1 2.776 0.009 . . . . . . 359 ASN HB1 . 16914 1 450 . 1 1 52 52 ASN HB3 H 1 2.624 0.007 . 2 . . . . 359 ASN HB2 . 16914 1 451 . 1 1 52 52 ASN HD21 H 1 6.768 0.028 . 2 . . . . 359 ASN HD21 . 16914 1 452 . 1 1 52 52 ASN HD22 H 1 7.535 0.003 . 2 . . . . 359 ASN HD22 . 16914 1 453 . 1 1 52 52 ASN C C 13 173.9 0 . 1 . . . . 359 ASN C . 16914 1 454 . 1 1 52 52 ASN CA C 13 52.317 0.079 . 1 . . . . 359 ASN CA . 16914 1 455 . 1 1 52 52 ASN CB C 13 36.714 0.061 . 1 . . . . 359 ASN CB . 16914 1 456 . 1 1 52 52 ASN N N 15 122.253 0.021 . 1 . . . . 359 ASN N . 16914 1 457 . 1 1 52 52 ASN ND2 N 15 112.104 0.214 . 1 . . . . 359 ASN ND2 . 16914 1 458 . 1 1 53 53 PHE H H 1 7.34 0.009 . 1 . . . . 360 PHE H . 16914 1 459 . 1 1 53 53 PHE HA H 1 4.851 0.004 . 1 . . . . 360 PHE HA . 16914 1 460 . 1 1 53 53 PHE HB2 H 1 3.279 0.01 . . . . . . 360 PHE HB1 . 16914 1 461 . 1 1 53 53 PHE HB3 H 1 2.831 0.012 . 2 . . . . 360 PHE HB2 . 16914 1 462 . 1 1 53 53 PHE HD1 H 1 7.317 0.007 . . . . . . 360 PHE HD# . 16914 1 463 . 1 1 53 53 PHE HD2 H 1 7.317 0.007 . . . . . . 360 PHE HD# . 16914 1 464 . 1 1 53 53 PHE HE1 H 1 7.171 0.015 . . . . . . 360 PHE HE# . 16914 1 465 . 1 1 53 53 PHE HE2 H 1 7.171 0.015 . . . . . . 360 PHE HE# . 16914 1 466 . 1 1 53 53 PHE C C 13 174.248 0 . 1 . . . . 360 PHE C . 16914 1 467 . 1 1 53 53 PHE CA C 13 56.819 0.084 . 1 . . . . 360 PHE CA . 16914 1 468 . 1 1 53 53 PHE CB C 13 40.933 0.036 . 1 . . . . 360 PHE CB . 16914 1 469 . 1 1 53 53 PHE N N 15 119.003 0.03 . 1 . . . . 360 PHE N . 16914 1 470 . 1 1 54 54 SER H H 1 9.075 0.009 . 1 . . . . 361 SER H . 16914 1 471 . 1 1 54 54 SER HA H 1 4.968 0.006 . 1 . . . . 361 SER HA . 16914 1 472 . 1 1 54 54 SER HB2 H 1 4.017 0.005 . . . . . . 361 SER HB1 . 16914 1 473 . 1 1 54 54 SER HB3 H 1 4.108 0.004 . 2 . . . . 361 SER HB2 . 16914 1 474 . 1 1 54 54 SER C C 13 173.263 0 . 1 . . . . 361 SER C . 16914 1 475 . 1 1 54 54 SER CA C 13 56.193 0.06 . 1 . . . . 361 SER CA . 16914 1 476 . 1 1 54 54 SER CB C 13 65.888 0.071 . 1 . . . . 361 SER CB . 16914 1 477 . 1 1 54 54 SER N N 15 115.704 0.077 . 1 . . . . 361 SER N . 16914 1 478 . 1 1 55 55 LEU H H 1 8.302 0.011 . 1 . . . . 362 LEU H . 16914 1 479 . 1 1 55 55 LEU HA H 1 5.795 0.007 . 1 . . . . 362 LEU HA . 16914 1 480 . 1 1 55 55 LEU HB2 H 1 2.4 0.012 . . . . . . 362 LEU HB1 . 16914 1 481 . 1 1 55 55 LEU HB3 H 1 1.495 0.01 . 2 . . . . 362 LEU HB2 . 16914 1 482 . 1 1 55 55 LEU HD11 H 1 1.123 0.007 . . . . . . 362 LEU HD1# . 16914 1 483 . 1 1 55 55 LEU HD12 H 1 1.123 0.007 . . . . . . 362 LEU HD1# . 16914 1 484 . 1 1 55 55 LEU HD13 H 1 1.123 0.007 . . . . . . 362 LEU HD1# . 16914 1 485 . 1 1 55 55 LEU HD21 H 1 1.176 0.01 . . . . . . 362 LEU HD2# . 16914 1 486 . 1 1 55 55 LEU HD22 H 1 1.176 0.01 . . . . . . 362 LEU HD2# . 16914 1 487 . 1 1 55 55 LEU HD23 H 1 1.176 0.01 . . . . . . 362 LEU HD2# . 16914 1 488 . 1 1 55 55 LEU HG H 1 2.072 0.007 . 1 . . . . 362 LEU HG . 16914 1 489 . 1 1 55 55 LEU C C 13 175.314 0 . 1 . . . . 362 LEU C . 16914 1 490 . 1 1 55 55 LEU CA C 13 53.82 0.018 . 1 . . . . 362 LEU CA . 16914 1 491 . 1 1 55 55 LEU CB C 13 46.532 0.041 . 1 . . . . 362 LEU CB . 16914 1 492 . 1 1 55 55 LEU CD1 C 13 25.722 0.012 . 2 . . . . 362 LEU CD1 . 16914 1 493 . 1 1 55 55 LEU CD2 C 13 23.573 0.073 . 2 . . . . 362 LEU CD2 . 16914 1 494 . 1 1 55 55 LEU N N 15 119.732 0.028 . 1 . . . . 362 LEU N . 16914 1 495 . 1 1 56 56 ALA H H 1 8.623 0.004 . 1 . . . . 363 ALA H . 16914 1 496 . 1 1 56 56 ALA HA H 1 4.928 0.012 . 1 . . . . 363 ALA HA . 16914 1 497 . 1 1 56 56 ALA HB1 H 1 1.134 0.006 . . . . . . 363 ALA HB# . 16914 1 498 . 1 1 56 56 ALA HB2 H 1 1.134 0.006 . . . . . . 363 ALA HB# . 16914 1 499 . 1 1 56 56 ALA HB3 H 1 1.134 0.006 . . . . . . 363 ALA HB# . 16914 1 500 . 1 1 56 56 ALA C C 13 177.067 0 . 1 . . . . 363 ALA C . 16914 1 501 . 1 1 56 56 ALA CA C 13 50.566 0.064 . 1 . . . . 363 ALA CA . 16914 1 502 . 1 1 56 56 ALA CB C 13 23.879 0.031 . 1 . . . . 363 ALA CB . 16914 1 503 . 1 1 56 56 ALA N N 15 121.922 0.047 . 1 . . . . 363 ALA N . 16914 1 504 . 1 1 57 57 THR H H 1 8.187 0.043 . 1 . . . . 364 THR H . 16914 1 505 . 1 1 57 57 THR HA H 1 4.536 0.004 . 1 . . . . 364 THR HA . 16914 1 506 . 1 1 57 57 THR HB H 1 4.42 0.011 . 1 . . . . 364 THR HB . 16914 1 507 . 1 1 57 57 THR HG21 H 1 1.236 0.007 . . . . . . 364 THR HG2# . 16914 1 508 . 1 1 57 57 THR HG22 H 1 1.236 0.007 . . . . . . 364 THR HG2# . 16914 1 509 . 1 1 57 57 THR HG23 H 1 1.236 0.007 . . . . . . 364 THR HG2# . 16914 1 510 . 1 1 57 57 THR C C 13 174.385 0 . 1 . . . . 364 THR C . 16914 1 511 . 1 1 57 57 THR CA C 13 61.644 0.032 . 1 . . . . 364 THR CA . 16914 1 512 . 1 1 57 57 THR CB C 13 70.166 0.024 . 1 . . . . 364 THR CB . 16914 1 513 . 1 1 57 57 THR CG2 C 13 22.706 0.291 . . . . . . 364 THR CG . 16914 1 514 . 1 1 57 57 THR N N 15 110.14 0.033 . 1 . . . . 364 THR N . 16914 1 515 . 1 1 58 58 MET H H 1 8.223 0.005 . 1 . . . . 365 MET H . 16914 1 516 . 1 1 58 58 MET HA H 1 4.151 0.005 . 1 . . . . 365 MET HA . 16914 1 517 . 1 1 58 58 MET HB2 H 1 1.795 0.009 . . . . . . 365 MET HB1 . 16914 1 518 . 1 1 58 58 MET HB3 H 1 1.641 0.01 . 2 . . . . 365 MET HB2 . 16914 1 519 . 1 1 58 58 MET HG2 H 1 2.324 0.006 . . . . . . 365 MET HG1 . 16914 1 520 . 1 1 58 58 MET HG3 H 1 2.209 0.012 . 2 . . . . 365 MET HG2 . 16914 1 521 . 1 1 58 58 MET C C 13 175.934 0 . 1 . . . . 365 MET C . 16914 1 522 . 1 1 58 58 MET CA C 13 57.032 0 . 1 . . . . 365 MET CA . 16914 1 523 . 1 1 58 58 MET CB C 13 33.69 0.142 . 1 . . . . 365 MET CB . 16914 1 524 . 1 1 58 58 MET CE C 13 25.156 0 . 1 . . . . 365 MET CE . 16914 1 525 . 1 1 58 58 MET CG C 13 32.489 0 . 1 . . . . 365 MET CG . 16914 1 526 . 1 1 58 58 MET N N 15 118.619 0.046 . 1 . . . . 365 MET N . 16914 1 527 . 1 1 59 59 PHE H H 1 7.826 0.006 . 1 . . . . 366 PHE H . 16914 1 528 . 1 1 59 59 PHE HA H 1 4.529 0.009 . 1 . . . . 366 PHE HA . 16914 1 529 . 1 1 59 59 PHE HB2 H 1 2.921 0.003 . . . . . . 366 PHE HB1 . 16914 1 530 . 1 1 59 59 PHE HB3 H 1 3.05 0.007 . 2 . . . . 366 PHE HB2 . 16914 1 531 . 1 1 59 59 PHE HD1 H 1 7.252 0.005 . . . . . . 366 PHE HD# . 16914 1 532 . 1 1 59 59 PHE HD2 H 1 7.252 0.005 . . . . . . 366 PHE HD# . 16914 1 533 . 1 1 59 59 PHE HE1 H 1 7.346 0.001 . . . . . . 366 PHE HE# . 16914 1 534 . 1 1 59 59 PHE HE2 H 1 7.346 0.001 . . . . . . 366 PHE HE# . 16914 1 535 . 1 1 59 59 PHE CA C 13 56.295 0 . 1 . . . . 366 PHE CA . 16914 1 536 . 1 1 59 59 PHE CB C 13 40.86 0.029 . 1 . . . . 366 PHE CB . 16914 1 537 . 1 1 59 59 PHE CD1 C 13 51.41 0 . . . . . . 366 PHE CD . 16914 1 538 . 1 1 59 59 PHE CD2 C 13 51.41 0 . . . . . . 366 PHE CD . 16914 1 539 . 1 1 59 59 PHE N N 15 116.266 0.027 . 1 . . . . 366 PHE N . 16914 1 540 . 1 1 60 60 PRO HA H 1 4.144 0.002 . 1 . . . . 367 PRO HA . 16914 1 541 . 1 1 60 60 PRO HB2 H 1 2.067 0.009 . . . . . . 367 PRO HB1 . 16914 1 542 . 1 1 60 60 PRO HB3 H 1 1.742 0.013 . 2 . . . . 367 PRO HB2 . 16914 1 543 . 1 1 60 60 PRO HD2 H 1 3.417 0.005 . . . . . . 367 PRO HD# . 16914 1 544 . 1 1 60 60 PRO HD3 H 1 3.417 0.005 . . . . . . 367 PRO HD# . 16914 1 545 . 1 1 60 60 PRO HG2 H 1 1.635 0.003 . . . . . . 367 PRO HG# . 16914 1 546 . 1 1 60 60 PRO HG3 H 1 1.635 0.003 . . . . . . 367 PRO HG# . 16914 1 547 . 1 1 60 60 PRO C C 13 175.349 0 . 1 . . . . 367 PRO C . 16914 1 548 . 1 1 60 60 PRO CA C 13 63.109 0.03 . 1 . . . . 367 PRO CA . 16914 1 549 . 1 1 60 60 PRO CB C 13 33.939 0.066 . 1 . . . . 367 PRO CB . 16914 1 550 . 1 1 60 60 PRO CD C 13 49.997 0.175 . 1 . . . . 367 PRO CD . 16914 1 551 . 1 1 60 60 PRO CG C 13 25.436 0 . 1 . . . . 367 PRO CG . 16914 1 552 . 1 1 61 61 ARG H H 1 8.564 0.006 . 1 . . . . 368 ARG H . 16914 1 553 . 1 1 61 61 ARG HA H 1 4.261 0.005 . 1 . . . . 368 ARG HA . 16914 1 554 . 1 1 61 61 ARG HB2 H 1 1.719 0.011 . . . . . . 368 ARG HB# . 16914 1 555 . 1 1 61 61 ARG HB3 H 1 1.719 0.011 . . . . . . 368 ARG HB# . 16914 1 556 . 1 1 61 61 ARG HD2 H 1 3.163 0.007 . . . . . . 368 ARG HD# . 16914 1 557 . 1 1 61 61 ARG HD3 H 1 3.163 0.007 . . . . . . 368 ARG HD# . 16914 1 558 . 1 1 61 61 ARG HG2 H 1 1.511 0.007 . . . . . . 368 ARG HG# . 16914 1 559 . 1 1 61 61 ARG HG3 H 1 1.511 0.007 . . . . . . 368 ARG HG# . 16914 1 560 . 1 1 61 61 ARG C C 13 175.636 0 . 1 . . . . 368 ARG C . 16914 1 561 . 1 1 61 61 ARG CA C 13 56.221 0.004 . 1 . . . . 368 ARG CA . 16914 1 562 . 1 1 61 61 ARG CB C 13 29.089 0.028 . 1 . . . . 368 ARG CB . 16914 1 563 . 1 1 61 61 ARG CD C 13 42.718 0.162 . 1 . . . . 368 ARG CD . 16914 1 564 . 1 1 61 61 ARG CG C 13 29.729 0 . . . . . . 368 ARG CG . 16914 1 565 . 1 1 61 61 ARG N N 15 123.053 0.049 . 1 . . . . 368 ARG N . 16914 1 566 . 1 1 62 62 ARG H H 1 7.671 0.005 . 1 . . . . 369 ARG H . 16914 1 567 . 1 1 62 62 ARG HA H 1 4.305 0.003 . 1 . . . . 369 ARG HA . 16914 1 568 . 1 1 62 62 ARG HB2 H 1 1.569 0.007 . . . . . . 369 ARG HB1 . 16914 1 569 . 1 1 62 62 ARG HB3 H 1 1.41 0.003 . 2 . . . . 369 ARG HB2 . 16914 1 570 . 1 1 62 62 ARG HD2 H 1 2.887 0.009 . . . . . . 369 ARG HD# . 16914 1 571 . 1 1 62 62 ARG HD3 H 1 2.887 0.009 . . . . . . 369 ARG HD# . 16914 1 572 . 1 1 62 62 ARG HE H 1 7.078 0.008 . 1 . . . . 369 ARG HE . 16914 1 573 . 1 1 62 62 ARG HG2 H 1 1.293 0.008 . . . . . . 369 ARG HG1 . 16914 1 574 . 1 1 62 62 ARG HG3 H 1 1.135 0.004 . 2 . . . . 369 ARG HG2 . 16914 1 575 . 1 1 62 62 ARG C C 13 173.71 0 . 1 . . . . 369 ARG C . 16914 1 576 . 1 1 62 62 ARG CA C 13 55.609 0 . 1 . . . . 369 ARG CA . 16914 1 577 . 1 1 62 62 ARG CB C 13 31.937 0.027 . 1 . . . . 369 ARG CB . 16914 1 578 . 1 1 62 62 ARG CD C 13 43.716 0 . 1 . . . . 369 ARG CD . 16914 1 579 . 1 1 62 62 ARG CG C 13 27.499 0 . 1 . . . . 369 ARG CG . 16914 1 580 . 1 1 62 62 ARG N N 15 129.289 0.059 . 1 . . . . 369 ARG N . 16914 1 581 . 1 1 62 62 ARG NE N 15 114.813 0.051 . 1 . . . . 369 ARG NE . 16914 1 582 . 1 1 63 63 GLU H H 1 8.641 0.008 . 1 . . . . 370 GLU H . 16914 1 583 . 1 1 63 63 GLU HA H 1 4.345 0.004 . 1 . . . . 370 GLU HA . 16914 1 584 . 1 1 63 63 GLU HB2 H 1 1.975 0.009 . . . . . . 370 GLU HB1 . 16914 1 585 . 1 1 63 63 GLU HB3 H 1 1.812 0.006 . 2 . . . . 370 GLU HB2 . 16914 1 586 . 1 1 63 63 GLU HG2 H 1 2.239 0.008 . . . . . . 370 GLU HG# . 16914 1 587 . 1 1 63 63 GLU HG3 H 1 2.239 0.008 . . . . . . 370 GLU HG# . 16914 1 588 . 1 1 63 63 GLU CA C 13 55.703 0.009 . 1 . . . . 370 GLU CA . 16914 1 589 . 1 1 63 63 GLU CB C 13 30.595 0.004 . 1 . . . . 370 GLU CB . 16914 1 590 . 1 1 63 63 GLU CG C 13 36.776 0.025 . 1 . . . . 370 GLU CG . 16914 1 591 . 1 1 63 63 GLU N N 15 126.457 0.052 . 1 . . . . 370 GLU N . 16914 1 592 . 1 1 64 64 PHE H H 1 8.207 0.005 . 1 . . . . 371 PHE H . 16914 1 593 . 1 1 64 64 PHE HA H 1 4.842 0.008 . 1 . . . . 371 PHE HA . 16914 1 594 . 1 1 64 64 PHE HB2 H 1 2.784 0.006 . . . . . . 371 PHE HB# . 16914 1 595 . 1 1 64 64 PHE HB3 H 1 2.784 0.006 . . . . . . 371 PHE HB# . 16914 1 596 . 1 1 64 64 PHE HD1 H 1 7.117 0.001 . . . . . . 371 PHE HD# . 16914 1 597 . 1 1 64 64 PHE HD2 H 1 7.117 0.001 . . . . . . 371 PHE HD# . 16914 1 598 . 1 1 64 64 PHE HE1 H 1 6.519 0.002 . . . . . . 371 PHE HE# . 16914 1 599 . 1 1 64 64 PHE HE2 H 1 6.519 0.002 . . . . . . 371 PHE HE# . 16914 1 600 . 1 1 64 64 PHE C C 13 177.233 0 . 1 . . . . 371 PHE C . 16914 1 601 . 1 1 64 64 PHE CA C 13 59.045 0.02 . 1 . . . . 371 PHE CA . 16914 1 602 . 1 1 64 64 PHE CB C 13 38.517 0.055 . 1 . . . . 371 PHE CB . 16914 1 603 . 1 1 64 64 PHE N N 15 124.818 0.042 . 1 . . . . 371 PHE N . 16914 1 604 . 1 1 65 65 THR H H 1 9.64 0.006 . 1 . . . . 372 THR H . 16914 1 605 . 1 1 65 65 THR HA H 1 4.648 0.001 . 1 . . . . 372 THR HA . 16914 1 606 . 1 1 65 65 THR HB H 1 4.697 0.014 . 1 . . . . 372 THR HB . 16914 1 607 . 1 1 65 65 THR HG21 H 1 1.35 0.005 . . . . . . 372 THR HG2# . 16914 1 608 . 1 1 65 65 THR HG22 H 1 1.35 0.005 . . . . . . 372 THR HG2# . 16914 1 609 . 1 1 65 65 THR HG23 H 1 1.35 0.005 . . . . . . 372 THR HG2# . 16914 1 610 . 1 1 65 65 THR C C 13 175.267 0 . 1 . . . . 372 THR C . 16914 1 611 . 1 1 65 65 THR CA C 13 60.46 0 . 1 . . . . 372 THR CA . 16914 1 612 . 1 1 65 65 THR CB C 13 71.663 0.054 . 1 . . . . 372 THR CB . 16914 1 613 . 1 1 65 65 THR CG2 C 13 21.707 0 . . . . . . 372 THR CG . 16914 1 614 . 1 1 65 65 THR N N 15 117.233 0.019 . 1 . . . . 372 THR N . 16914 1 615 . 1 1 66 66 LYS H H 1 8.684 0.005 . 1 . . . . 373 LYS H . 16914 1 616 . 1 1 66 66 LYS HA H 1 4.118 0.009 . 1 . . . . 373 LYS HA . 16914 1 617 . 1 1 66 66 LYS HB2 H 1 1.864 0.006 . . . . . . 373 LYS HB1 . 16914 1 618 . 1 1 66 66 LYS HB3 H 1 1.953 0.004 . 2 . . . . 373 LYS HB2 . 16914 1 619 . 1 1 66 66 LYS HD2 H 1 1.72 0.003 . . . . . . 373 LYS HD# . 16914 1 620 . 1 1 66 66 LYS HD3 H 1 1.72 0.003 . . . . . . 373 LYS HD# . 16914 1 621 . 1 1 66 66 LYS HE2 H 1 3.007 0.009 . . . . . . 373 LYS HE# . 16914 1 622 . 1 1 66 66 LYS HE3 H 1 3.007 0.009 . . . . . . 373 LYS HE# . 16914 1 623 . 1 1 66 66 LYS HG2 H 1 1.526 0.006 . . . . . . 373 LYS HG# . 16914 1 624 . 1 1 66 66 LYS HG3 H 1 1.526 0.006 . . . . . . 373 LYS HG# . 16914 1 625 . 1 1 66 66 LYS C C 13 179.959 0 . 1 . . . . 373 LYS C . 16914 1 626 . 1 1 66 66 LYS CA C 13 60.227 0 . 1 . . . . 373 LYS CA . 16914 1 627 . 1 1 66 66 LYS CB C 13 32.32 0.014 . 1 . . . . 373 LYS CB . 16914 1 628 . 1 1 66 66 LYS CD C 13 29.306 0.131 . 1 . . . . 373 LYS CD . 16914 1 629 . 1 1 66 66 LYS CE C 13 42.059 0.25 . 1 . . . . 373 LYS CE . 16914 1 630 . 1 1 66 66 LYS CG C 13 24.881 0.082 . 1 . . . . 373 LYS CG . 16914 1 631 . 1 1 66 66 LYS N N 15 118.507 0.022 . 1 . . . . 373 LYS N . 16914 1 632 . 1 1 67 67 GLU H H 1 8.422 0.005 . 1 . . . . 374 GLU H . 16914 1 633 . 1 1 67 67 GLU HA H 1 4.064 0.002 . 1 . . . . 374 GLU HA . 16914 1 634 . 1 1 67 67 GLU HB2 H 1 1.994 0.011 . . . . . . 374 GLU HB# . 16914 1 635 . 1 1 67 67 GLU HB3 H 1 1.994 0.011 . . . . . . 374 GLU HB# . 16914 1 636 . 1 1 67 67 GLU HG2 H 1 2.404 0.003 . . . . . . 374 GLU HG1 . 16914 1 637 . 1 1 67 67 GLU HG3 H 1 2.3 0.004 . 2 . . . . 374 GLU HG2 . 16914 1 638 . 1 1 67 67 GLU C C 13 179.106 0 . 1 . . . . 374 GLU C . 16914 1 639 . 1 1 67 67 GLU CA C 13 59.291 0.015 . 1 . . . . 374 GLU CA . 16914 1 640 . 1 1 67 67 GLU CB C 13 29.042 0.041 . 1 . . . . 374 GLU CB . 16914 1 641 . 1 1 67 67 GLU CG C 13 36.922 0.045 . 1 . . . . 374 GLU CG . 16914 1 642 . 1 1 67 67 GLU N N 15 117.351 0.029 . 1 . . . . 374 GLU N . 16914 1 643 . 1 1 68 68 ASP H H 1 7.829 0.004 . 1 . . . . 375 ASP H . 16914 1 644 . 1 1 68 68 ASP HA H 1 4.262 0.007 . 1 . . . . 375 ASP HA . 16914 1 645 . 1 1 68 68 ASP HB2 H 1 3.014 0.013 . . . . . . 375 ASP HB1 . 16914 1 646 . 1 1 68 68 ASP HB3 H 1 2.348 0.008 . 2 . . . . 375 ASP HB2 . 16914 1 647 . 1 1 68 68 ASP C C 13 178.067 0 . 1 . . . . 375 ASP C . 16914 1 648 . 1 1 68 68 ASP CA C 13 57.448 0.027 . 1 . . . . 375 ASP CA . 16914 1 649 . 1 1 68 68 ASP CB C 13 40.699 0.043 . 1 . . . . 375 ASP CB . 16914 1 650 . 1 1 68 68 ASP N N 15 120.697 0.049 . 1 . . . . 375 ASP N . 16914 1 651 . 1 1 69 69 TYR H H 1 7.286 0.005 . 1 . . . . 376 TYR H . 16914 1 652 . 1 1 69 69 TYR HA H 1 4.045 0.005 . 1 . . . . 376 TYR HA . 16914 1 653 . 1 1 69 69 TYR HB2 H 1 3.253 0.019 . . . . . . 376 TYR HB1 . 16914 1 654 . 1 1 69 69 TYR HB3 H 1 2.924 0.007 . 2 . . . . 376 TYR HB2 . 16914 1 655 . 1 1 69 69 TYR HD1 H 1 7.059 0.009 . . . . . . 376 TYR HD# . 16914 1 656 . 1 1 69 69 TYR HD2 H 1 7.059 0.009 . . . . . . 376 TYR HD# . 16914 1 657 . 1 1 69 69 TYR HE1 H 1 6.531 0.01 . . . . . . 376 TYR HE# . 16914 1 658 . 1 1 69 69 TYR HE2 H 1 6.531 0.01 . . . . . . 376 TYR HE# . 16914 1 659 . 1 1 69 69 TYR C C 13 175.829 0 . 1 . . . . 376 TYR C . 16914 1 660 . 1 1 69 69 TYR CA C 13 62.292 0.035 . 1 . . . . 376 TYR CA . 16914 1 661 . 1 1 69 69 TYR CB C 13 37.438 0.017 . 1 . . . . 376 TYR CB . 16914 1 662 . 1 1 69 69 TYR CD1 C 13 30.157 0 . . . . . . 376 TYR CD . 16914 1 663 . 1 1 69 69 TYR CD2 C 13 30.157 0 . . . . . . 376 TYR CD . 16914 1 664 . 1 1 69 69 TYR N N 15 113.834 0.028 . 1 . . . . 376 TYR N . 16914 1 665 . 1 1 70 70 LYS H H 1 7.188 0.005 . 1 . . . . 377 LYS H . 16914 1 666 . 1 1 70 70 LYS HA H 1 4.421 0.007 . 1 . . . . 377 LYS HA . 16914 1 667 . 1 1 70 70 LYS HB2 H 1 2.073 0.01 . . . . . . 377 LYS HB1 . 16914 1 668 . 1 1 70 70 LYS HB3 H 1 1.837 0.003 . 2 . . . . 377 LYS HB2 . 16914 1 669 . 1 1 70 70 LYS HD2 H 1 1.724 0.009 . . . . . . 377 LYS HD# . 16914 1 670 . 1 1 70 70 LYS HD3 H 1 1.724 0.009 . . . . . . 377 LYS HD# . 16914 1 671 . 1 1 70 70 LYS HE2 H 1 3 0.007 . . . . . . 377 LYS HE# . 16914 1 672 . 1 1 70 70 LYS HE3 H 1 3 0.007 . . . . . . 377 LYS HE# . 16914 1 673 . 1 1 70 70 LYS HG2 H 1 1.522 0.011 . . . . . . 377 LYS HG# . 16914 1 674 . 1 1 70 70 LYS HG3 H 1 1.522 0.011 . . . . . . 377 LYS HG# . 16914 1 675 . 1 1 70 70 LYS C C 13 177.294 0 . 1 . . . . 377 LYS C . 16914 1 676 . 1 1 70 70 LYS CA C 13 56.154 0.003 . 1 . . . . 377 LYS CA . 16914 1 677 . 1 1 70 70 LYS CB C 13 33.105 0.028 . 1 . . . . 377 LYS CB . 16914 1 678 . 1 1 70 70 LYS CD C 13 29.304 0 . 1 . . . . 377 LYS CD . 16914 1 679 . 1 1 70 70 LYS CE C 13 42.506 0 . 1 . . . . 377 LYS CE . 16914 1 680 . 1 1 70 70 LYS CG C 13 25.284 0 . 1 . . . . 377 LYS CG . 16914 1 681 . 1 1 70 70 LYS N N 15 114.504 0.03 . 1 . . . . 377 LYS N . 16914 1 682 . 1 1 71 71 LYS H H 1 7.66 0.005 . 1 . . . . 378 LYS H . 16914 1 683 . 1 1 71 71 LYS HA H 1 4.275 0.006 . 1 . . . . 378 LYS HA . 16914 1 684 . 1 1 71 71 LYS HB2 H 1 2.055 0.015 . . . . . . 378 LYS HB1 . 16914 1 685 . 1 1 71 71 LYS HB3 H 1 1.755 0.003 . 2 . . . . 378 LYS HB2 . 16914 1 686 . 1 1 71 71 LYS HD2 H 1 1.714 0.009 . . . . . . 378 LYS HD# . 16914 1 687 . 1 1 71 71 LYS HD3 H 1 1.714 0.009 . . . . . . 378 LYS HD# . 16914 1 688 . 1 1 71 71 LYS HE2 H 1 2.958 0.001 . 2 . . . . 378 LYS HE2 . 16914 1 689 . 1 1 71 71 LYS HE3 H 1 2.86 0.009 . 2 . . . . 378 LYS HE3 . 16914 1 690 . 1 1 71 71 LYS HG2 H 1 1.445 0.01 . . . . . . 378 LYS HG# . 16914 1 691 . 1 1 71 71 LYS HG3 H 1 1.445 0.01 . . . . . . 378 LYS HG# . 16914 1 692 . 1 1 71 71 LYS C C 13 174.989 0 . 1 . . . . 378 LYS C . 16914 1 693 . 1 1 71 71 LYS CA C 13 56.27 0.009 . 1 . . . . 378 LYS CA . 16914 1 694 . 1 1 71 71 LYS CB C 13 33.602 0.125 . 1 . . . . 378 LYS CB . 16914 1 695 . 1 1 71 71 LYS CD C 13 49.797 0.034 . . . . . . 378 LYS CD . 16914 1 696 . 1 1 71 71 LYS CE C 13 42.355 0.168 . 1 . . . . 378 LYS CE . 16914 1 697 . 1 1 71 71 LYS CG C 13 26.195 0 . 1 . . . . 378 LYS CG . 16914 1 698 . 1 1 71 71 LYS N N 15 120.689 0.038 . 1 . . . . 378 LYS N . 16914 1 699 . 1 1 72 72 LYS H H 1 8.548 0.005 . 1 . . . . 379 LYS H . 16914 1 700 . 1 1 72 72 LYS HA H 1 4.324 0.011 . 1 . . . . 379 LYS HA . 16914 1 701 . 1 1 72 72 LYS HB2 H 1 1.787 0.004 . . . . . . 379 LYS HB1 . 16914 1 702 . 1 1 72 72 LYS HB3 H 1 1.628 0.009 . 2 . . . . 379 LYS HB2 . 16914 1 703 . 1 1 72 72 LYS HD2 H 1 1.657 0.004 . . . . . . 379 LYS HD# . 16914 1 704 . 1 1 72 72 LYS HD3 H 1 1.657 0.004 . . . . . . 379 LYS HD# . 16914 1 705 . 1 1 72 72 LYS HE2 H 1 3.071 0.007 . . . . . . 379 LYS HE# . 16914 1 706 . 1 1 72 72 LYS HE3 H 1 3.071 0.007 . . . . . . 379 LYS HE# . 16914 1 707 . 1 1 72 72 LYS HG2 H 1 1.48 0.005 . . . . . . 379 LYS HG# . 16914 1 708 . 1 1 72 72 LYS HG3 H 1 1.48 0.005 . . . . . . 379 LYS HG# . 16914 1 709 . 1 1 72 72 LYS C C 13 178.822 0 . 1 . . . . 379 LYS C . 16914 1 710 . 1 1 72 72 LYS CA C 13 55.862 0.032 . 1 . . . . 379 LYS CA . 16914 1 711 . 1 1 72 72 LYS CB C 13 34.119 0.076 . 1 . . . . 379 LYS CB . 16914 1 712 . 1 1 72 72 LYS CE C 13 41.975 0.184 . 1 . . . . 379 LYS CE . 16914 1 713 . 1 1 72 72 LYS CG C 13 25.274 0 . 1 . . . . 379 LYS CG . 16914 1 714 . 1 1 72 72 LYS N N 15 117.893 0.039 . 1 . . . . 379 LYS N . 16914 1 715 . 1 1 73 73 LEU H H 1 8.633 0.007 . 1 . . . . 380 LEU H . 16914 1 716 . 1 1 73 73 LEU HA H 1 3.688 0.01 . 1 . . . . 380 LEU HA . 16914 1 717 . 1 1 73 73 LEU HB2 H 1 1.946 0.01 . . . . . . 380 LEU HB1 . 16914 1 718 . 1 1 73 73 LEU HB3 H 1 0.903 0.012 . 2 . . . . 380 LEU HB2 . 16914 1 719 . 1 1 73 73 LEU HD11 H 1 0.631 0.004 . . . . . . 380 LEU HD1# . 16914 1 720 . 1 1 73 73 LEU HD12 H 1 0.631 0.004 . . . . . . 380 LEU HD1# . 16914 1 721 . 1 1 73 73 LEU HD13 H 1 0.631 0.004 . . . . . . 380 LEU HD1# . 16914 1 722 . 1 1 73 73 LEU HD21 H 1 0.412 0.006 . . . . . . 380 LEU HD2# . 16914 1 723 . 1 1 73 73 LEU HD22 H 1 0.412 0.006 . . . . . . 380 LEU HD2# . 16914 1 724 . 1 1 73 73 LEU HD23 H 1 0.412 0.006 . . . . . . 380 LEU HD2# . 16914 1 725 . 1 1 73 73 LEU HG H 1 1.964 0 . 1 . . . . 380 LEU HG . 16914 1 726 . 1 1 73 73 LEU C C 13 180.354 0 . 1 . . . . 380 LEU C . 16914 1 727 . 1 1 73 73 LEU CA C 13 59.079 0.015 . 1 . . . . 380 LEU CA . 16914 1 728 . 1 1 73 73 LEU CB C 13 40.295 0.037 . 1 . . . . 380 LEU CB . 16914 1 729 . 1 1 73 73 LEU CD1 C 13 27.144 0 . 2 . . . . 380 LEU CD1 . 16914 1 730 . 1 1 73 73 LEU CD2 C 13 23.271 0.072 . 2 . . . . 380 LEU CD2 . 16914 1 731 . 1 1 73 73 LEU N N 15 121.119 0.066 . 1 . . . . 380 LEU N . 16914 1 732 . 1 1 74 74 LEU H H 1 8.216 0.005 . 1 . . . . 381 LEU H . 16914 1 733 . 1 1 74 74 LEU HA H 1 4.031 0.006 . 1 . . . . 381 LEU HA . 16914 1 734 . 1 1 74 74 LEU HB2 H 1 1.419 0.003 . . . . . . 381 LEU HB1 . 16914 1 735 . 1 1 74 74 LEU HB3 H 1 1.507 0.01 . 2 . . . . 381 LEU HB2 . 16914 1 736 . 1 1 74 74 LEU HD11 H 1 0.819 0.011 . . . . . . 381 LEU HD# . 16914 1 737 . 1 1 74 74 LEU HD12 H 1 0.819 0.011 . . . . . . 381 LEU HD# . 16914 1 738 . 1 1 74 74 LEU HD13 H 1 0.819 0.011 . . . . . . 381 LEU HD# . 16914 1 739 . 1 1 74 74 LEU HD21 H 1 0.819 0.011 . . . . . . 381 LEU HD# . 16914 1 740 . 1 1 74 74 LEU HD22 H 1 0.819 0.011 . . . . . . 381 LEU HD# . 16914 1 741 . 1 1 74 74 LEU HD23 H 1 0.819 0.011 . . . . . . 381 LEU HD# . 16914 1 742 . 1 1 74 74 LEU C C 13 179.328 0 . 1 . . . . 381 LEU C . 16914 1 743 . 1 1 74 74 LEU CA C 13 58.058 0 . 1 . . . . 381 LEU CA . 16914 1 744 . 1 1 74 74 LEU CB C 13 42.496 0.057 . 1 . . . . 381 LEU CB . 16914 1 745 . 1 1 74 74 LEU CD1 C 13 25.992 0 . 2 . . . . 381 LEU CD1 . 16914 1 746 . 1 1 74 74 LEU CD2 C 13 24.654 0 . 2 . . . . 381 LEU CD2 . 16914 1 747 . 1 1 74 74 LEU N N 15 115.162 0.064 . 1 . . . . 381 LEU N . 16914 1 748 . 1 1 75 75 ASP H H 1 7.055 0.005 . 1 . . . . 382 ASP H . 16914 1 749 . 1 1 75 75 ASP HA H 1 4.554 0.016 . 1 . . . . 382 ASP HA . 16914 1 750 . 1 1 75 75 ASP HB2 H 1 2.817 0.007 . . . . . . 382 ASP HB# . 16914 1 751 . 1 1 75 75 ASP HB3 H 1 2.817 0.007 . . . . . . 382 ASP HB# . 16914 1 752 . 1 1 75 75 ASP C C 13 177.312 0 . 1 . . . . 382 ASP C . 16914 1 753 . 1 1 75 75 ASP CA C 13 56.65 0 . 1 . . . . 382 ASP CA . 16914 1 754 . 1 1 75 75 ASP CB C 13 40.868 0.062 . 1 . . . . 382 ASP CB . 16914 1 755 . 1 1 75 75 ASP N N 15 120.115 0.039 . 1 . . . . 382 ASP N . 16914 1 756 . 1 1 76 76 LEU H H 1 7.319 0.004 . 1 . . . . 383 LEU H . 16914 1 757 . 1 1 76 76 LEU HA H 1 4.398 0.004 . 1 . . . . 383 LEU HA . 16914 1 758 . 1 1 76 76 LEU HB2 H 1 1.564 0.014 . . . . . . 383 LEU HB1 . 16914 1 759 . 1 1 76 76 LEU HB3 H 1 1.631 0.003 . 2 . . . . 383 LEU HB2 . 16914 1 760 . 1 1 76 76 LEU HD11 H 1 0.564 0.062 . . . . . . 383 LEU HD1# . 16914 1 761 . 1 1 76 76 LEU HD12 H 1 0.564 0.062 . . . . . . 383 LEU HD1# . 16914 1 762 . 1 1 76 76 LEU HD13 H 1 0.564 0.062 . . . . . . 383 LEU HD1# . 16914 1 763 . 1 1 76 76 LEU HD21 H 1 0.84 0.074 . . . . . . 383 LEU HD2# . 16914 1 764 . 1 1 76 76 LEU HD22 H 1 0.84 0.074 . . . . . . 383 LEU HD2# . 16914 1 765 . 1 1 76 76 LEU HD23 H 1 0.84 0.074 . . . . . . 383 LEU HD2# . 16914 1 766 . 1 1 76 76 LEU HG H 1 1.459 0.004 . 1 . . . . 383 LEU HG . 16914 1 767 . 1 1 76 76 LEU C C 13 174.963 0 . 1 . . . . 383 LEU C . 16914 1 768 . 1 1 76 76 LEU CA C 13 54.349 0.008 . 1 . . . . 383 LEU CA . 16914 1 769 . 1 1 76 76 LEU CB C 13 43.7 0.053 . 1 . . . . 383 LEU CB . 16914 1 770 . 1 1 76 76 LEU CD1 C 13 28.529 0.041 . 2 . . . . 383 LEU CD1 . 16914 1 771 . 1 1 76 76 LEU CD2 C 13 22.8 0 . 2 . . . . 383 LEU CD2 . 16914 1 772 . 1 1 76 76 LEU CG C 13 26.606 0 . 1 . . . . 383 LEU CG . 16914 1 773 . 1 1 76 76 LEU N N 15 119.877 0.021 . 1 . . . . 383 LEU N . 16914 1 774 . 1 1 77 77 GLU H H 1 7.75 0.004 . 1 . . . . 384 GLU H . 16914 1 775 . 1 1 77 77 GLU HA H 1 4.176 0.008 . 1 . . . . 384 GLU HA . 16914 1 776 . 1 1 77 77 GLU HB2 H 1 2.329 0.006 . . . . . . 384 GLU HB# . 16914 1 777 . 1 1 77 77 GLU HB3 H 1 2.329 0.006 . . . . . . 384 GLU HB# . 16914 1 778 . 1 1 77 77 GLU HG2 H 1 2.21 0.007 . . . . . . 384 GLU HG# . 16914 1 779 . 1 1 77 77 GLU HG3 H 1 2.21 0.007 . . . . . . 384 GLU HG# . 16914 1 780 . 1 1 77 77 GLU C C 13 176.271 0 . 1 . . . . 384 GLU C . 16914 1 781 . 1 1 77 77 GLU CA C 13 57.749 0.044 . 1 . . . . 384 GLU CA . 16914 1 782 . 1 1 77 77 GLU CB C 13 26.398 0.115 . 1 . . . . 384 GLU CB . 16914 1 783 . 1 1 77 77 GLU CG C 13 36.892 0.017 . 1 . . . . 384 GLU CG . 16914 1 784 . 1 1 77 77 GLU N N 15 112.214 0.058 . 1 . . . . 384 GLU N . 16914 1 785 . 1 1 78 78 LEU H H 1 7.464 0.005 . 1 . . . . 385 LEU H . 16914 1 786 . 1 1 78 78 LEU HA H 1 4.307 0.004 . 1 . . . . 385 LEU HA . 16914 1 787 . 1 1 78 78 LEU HB2 H 1 1.335 0.009 . . . . . . 385 LEU HB# . 16914 1 788 . 1 1 78 78 LEU HB3 H 1 1.335 0.009 . . . . . . 385 LEU HB# . 16914 1 789 . 1 1 78 78 LEU HD11 H 1 0.613 0.002 . . . . . . 385 LEU HD1# . 16914 1 790 . 1 1 78 78 LEU HD12 H 1 0.613 0.002 . . . . . . 385 LEU HD1# . 16914 1 791 . 1 1 78 78 LEU HD13 H 1 0.613 0.002 . . . . . . 385 LEU HD1# . 16914 1 792 . 1 1 78 78 LEU HD21 H 1 0.555 0.011 . . . . . . 385 LEU HD2# . 16914 1 793 . 1 1 78 78 LEU HD22 H 1 0.555 0.011 . . . . . . 385 LEU HD2# . 16914 1 794 . 1 1 78 78 LEU HD23 H 1 0.555 0.011 . . . . . . 385 LEU HD2# . 16914 1 795 . 1 1 78 78 LEU HG H 1 1.523 0.007 . 1 . . . . 385 LEU HG . 16914 1 796 . 1 1 78 78 LEU C C 13 172.522 0 . 1 . . . . 385 LEU C . 16914 1 797 . 1 1 78 78 LEU CA C 13 53.857 0.023 . 1 . . . . 385 LEU CA . 16914 1 798 . 1 1 78 78 LEU CB C 13 41.353 0.066 . 1 . . . . 385 LEU CB . 16914 1 799 . 1 1 78 78 LEU CD1 C 13 27.341 0 . 2 . . . . 385 LEU CD1 . 16914 1 800 . 1 1 78 78 LEU CD2 C 13 22.71 0 . 2 . . . . 385 LEU CD2 . 16914 1 801 . 1 1 78 78 LEU N N 15 116.513 0.022 . 1 . . . . 385 LEU N . 16914 1 802 . 1 1 79 79 ALA H H 1 6.984 0.005 . 1 . . . . 386 ALA H . 16914 1 803 . 1 1 79 79 ALA HA H 1 4.401 0.004 . 1 . . . . 386 ALA HA . 16914 1 804 . 1 1 79 79 ALA HB1 H 1 1.142 0.007 . . . . . . 386 ALA HB# . 16914 1 805 . 1 1 79 79 ALA HB2 H 1 1.142 0.007 . . . . . . 386 ALA HB# . 16914 1 806 . 1 1 79 79 ALA HB3 H 1 1.142 0.007 . . . . . . 386 ALA HB# . 16914 1 807 . 1 1 79 79 ALA CA C 13 48.547 0.046 . 1 . . . . 386 ALA CA . 16914 1 808 . 1 1 79 79 ALA CB C 13 20.527 0 . 1 . . . . 386 ALA CB . 16914 1 809 . 1 1 79 79 ALA N N 15 114.551 0.041 . 1 . . . . 386 ALA N . 16914 1 810 . 1 1 80 80 PRO HA H 1 4.778 0.007 . 1 . . . . 387 PRO HA . 16914 1 811 . 1 1 80 80 PRO HB2 H 1 2.504 0.007 . . . . . . 387 PRO HB1 . 16914 1 812 . 1 1 80 80 PRO HB3 H 1 2.251 0.009 . 2 . . . . 387 PRO HB2 . 16914 1 813 . 1 1 80 80 PRO HD2 H 1 3.798 0.01 . . . . . . 387 PRO HD1 . 16914 1 814 . 1 1 80 80 PRO HD3 H 1 3.461 0.007 . 2 . . . . 387 PRO HD2 . 16914 1 815 . 1 1 80 80 PRO HG2 H 1 1.994 0.016 . . . . . . 387 PRO HG# . 16914 1 816 . 1 1 80 80 PRO HG3 H 1 1.994 0.016 . . . . . . 387 PRO HG# . 16914 1 817 . 1 1 80 80 PRO C C 13 176.494 0 . 1 . . . . 387 PRO C . 16914 1 818 . 1 1 80 80 PRO CA C 13 63.8 0 . 1 . . . . 387 PRO CA . 16914 1 819 . 1 1 80 80 PRO CB C 13 34.779 0.059 . 1 . . . . 387 PRO CB . 16914 1 820 . 1 1 80 80 PRO CD C 13 50.454 0.089 . 1 . . . . 387 PRO CD . 16914 1 821 . 1 1 80 80 PRO CG C 13 24.838 0 . 1 . . . . 387 PRO CG . 16914 1 822 . 1 1 81 81 SER H H 1 7.523 0.005 . 1 . . . . 388 SER H . 16914 1 823 . 1 1 81 81 SER HA H 1 5.479 0.01 . 1 . . . . 388 SER HA . 16914 1 824 . 1 1 81 81 SER HB2 H 1 3.857 0.008 . . . . . . 388 SER HB# . 16914 1 825 . 1 1 81 81 SER HB3 H 1 3.857 0.008 . . . . . . 388 SER HB# . 16914 1 826 . 1 1 81 81 SER C C 13 172.491 0 . 1 . . . . 388 SER C . 16914 1 827 . 1 1 81 81 SER CA C 13 57.213 0.052 . 1 . . . . 388 SER CA . 16914 1 828 . 1 1 81 81 SER CB C 13 65.312 0.054 . 1 . . . . 388 SER CB . 16914 1 829 . 1 1 81 81 SER N N 15 117.226 0.033 . 1 . . . . 388 SER N . 16914 1 830 . 1 1 82 82 ALA H H 1 8.343 0.005 . 1 . . . . 389 ALA H . 16914 1 831 . 1 1 82 82 ALA HA H 1 4.674 0.006 . 1 . . . . 389 ALA HA . 16914 1 832 . 1 1 82 82 ALA HB1 H 1 1.261 0 . 1 . . . . 389 ALA HB1 . 16914 1 833 . 1 1 82 82 ALA HB2 H 1 1.261 0 . 1 . . . . 389 ALA HB1 . 16914 1 834 . 1 1 82 82 ALA HB3 H 1 1.261 0 . 1 . . . . 389 ALA HB1 . 16914 1 835 . 1 1 82 82 ALA C C 13 175.74 0 . 1 . . . . 389 ALA C . 16914 1 836 . 1 1 82 82 ALA CA C 13 51.892 0.096 . 1 . . . . 389 ALA CA . 16914 1 837 . 1 1 82 82 ALA CB C 13 24.438 0.062 . 1 . . . . 389 ALA CB . 16914 1 838 . 1 1 82 82 ALA N N 15 122.492 0.018 . 1 . . . . 389 ALA N . 16914 1 839 . 1 1 83 83 SER H H 1 8.484 0.003 . 1 . . . . 390 SER H . 16914 1 840 . 1 1 83 83 SER HA H 1 5.533 0.013 . 1 . . . . 390 SER HA . 16914 1 841 . 1 1 83 83 SER HB2 H 1 3.709 0.007 . . . . . . 390 SER HB# . 16914 1 842 . 1 1 83 83 SER HB3 H 1 3.709 0.007 . . . . . . 390 SER HB# . 16914 1 843 . 1 1 83 83 SER C C 13 173.293 0 . 1 . . . . 390 SER C . 16914 1 844 . 1 1 83 83 SER CA C 13 57.311 0.117 . 1 . . . . 390 SER CA . 16914 1 845 . 1 1 83 83 SER CB C 13 65.036 0.06 . 1 . . . . 390 SER CB . 16914 1 846 . 1 1 83 83 SER N N 15 115.648 0.023 . 1 . . . . 390 SER N . 16914 1 847 . 1 1 84 84 VAL H H 1 9.092 0.006 . 1 . . . . 391 VAL H . 16914 1 848 . 1 1 84 84 VAL HA H 1 4.915 0.013 . 1 . . . . 391 VAL HA . 16914 1 849 . 1 1 84 84 VAL HB H 1 1.927 0.006 . 1 . . . . 391 VAL HB . 16914 1 850 . 1 1 84 84 VAL HG11 H 1 0.808 0.012 . . . . . . 391 VAL HG1# . 16914 1 851 . 1 1 84 84 VAL HG12 H 1 0.808 0.012 . . . . . . 391 VAL HG1# . 16914 1 852 . 1 1 84 84 VAL HG13 H 1 0.808 0.012 . . . . . . 391 VAL HG1# . 16914 1 853 . 1 1 84 84 VAL HG21 H 1 0.508 0.007 . . . . . . 391 VAL HG2# . 16914 1 854 . 1 1 84 84 VAL HG22 H 1 0.508 0.007 . . . . . . 391 VAL HG2# . 16914 1 855 . 1 1 84 84 VAL HG23 H 1 0.508 0.007 . . . . . . 391 VAL HG2# . 16914 1 856 . 1 1 84 84 VAL C C 13 173.7 0 . 1 . . . . 391 VAL C . 16914 1 857 . 1 1 84 84 VAL CA C 13 58.947 0 . 1 . . . . 391 VAL CA . 16914 1 858 . 1 1 84 84 VAL CB C 13 35.004 0.092 . 1 . . . . 391 VAL CB . 16914 1 859 . 1 1 84 84 VAL CG1 C 13 21.382 0.393 . . . . . . 391 VAL CG# . 16914 1 860 . 1 1 84 84 VAL CG2 C 13 21.382 0.393 . . . . . . 391 VAL CG# . 16914 1 861 . 1 1 84 84 VAL N N 15 120.165 0.015 . 1 . . . . 391 VAL N . 16914 1 862 . 1 1 85 85 VAL H H 1 9.346 0.005 . 1 . . . . 392 VAL H . 16914 1 863 . 1 1 85 85 VAL HA H 1 4.675 0.011 . 1 . . . . 392 VAL HA . 16914 1 864 . 1 1 85 85 VAL HB H 1 1.845 0.005 . 1 . . . . 392 VAL HB . 16914 1 865 . 1 1 85 85 VAL HG11 H 1 0.786 0.012 . . . . . . 392 VAL HG# . 16914 1 866 . 1 1 85 85 VAL HG12 H 1 0.786 0.012 . . . . . . 392 VAL HG# . 16914 1 867 . 1 1 85 85 VAL HG13 H 1 0.786 0.012 . . . . . . 392 VAL HG# . 16914 1 868 . 1 1 85 85 VAL HG21 H 1 0.786 0.012 . . . . . . 392 VAL HG# . 16914 1 869 . 1 1 85 85 VAL HG22 H 1 0.786 0.012 . . . . . . 392 VAL HG# . 16914 1 870 . 1 1 85 85 VAL HG23 H 1 0.786 0.012 . . . . . . 392 VAL HG# . 16914 1 871 . 1 1 85 85 VAL C C 13 173.979 0 . 1 . . . . 392 VAL C . 16914 1 872 . 1 1 85 85 VAL CA C 13 60.141 0.03 . 1 . . . . 392 VAL CA . 16914 1 873 . 1 1 85 85 VAL CB C 13 34.26 0.113 . 1 . . . . 392 VAL CB . 16914 1 874 . 1 1 85 85 VAL CG1 C 13 21.348 0.097 . . . . . . 392 VAL CG# . 16914 1 875 . 1 1 85 85 VAL CG2 C 13 21.348 0.097 . . . . . . 392 VAL CG# . 16914 1 876 . 1 1 85 85 VAL N N 15 121.126 0.037 . 1 . . . . 392 VAL N . 16914 1 877 . 1 1 86 86 LEU H H 1 7.991 0.004 . 1 . . . . 393 LEU H . 16914 1 878 . 1 1 86 86 LEU HA H 1 4.825 0.005 . 1 . . . . 393 LEU HA . 16914 1 879 . 1 1 86 86 LEU HB2 H 1 1.376 0.009 . . . . . . 393 LEU HB1 . 16914 1 880 . 1 1 86 86 LEU HB3 H 1 1.134 0.008 . 2 . . . . 393 LEU HB2 . 16914 1 881 . 1 1 86 86 LEU HD11 H 1 0.112 0.009 . . . . . . 393 LEU HD1# . 16914 1 882 . 1 1 86 86 LEU HD12 H 1 0.112 0.009 . . . . . . 393 LEU HD1# . 16914 1 883 . 1 1 86 86 LEU HD13 H 1 0.112 0.009 . . . . . . 393 LEU HD1# . 16914 1 884 . 1 1 86 86 LEU HD21 H 1 0.068 0.006 . . . . . . 393 LEU HD2# . 16914 1 885 . 1 1 86 86 LEU HD22 H 1 0.068 0.006 . . . . . . 393 LEU HD2# . 16914 1 886 . 1 1 86 86 LEU HD23 H 1 0.068 0.006 . . . . . . 393 LEU HD2# . 16914 1 887 . 1 1 86 86 LEU HG H 1 1.28 0 . 1 . . . . 393 LEU HG . 16914 1 888 . 1 1 86 86 LEU C C 13 175.126 0 . 1 . . . . 393 LEU C . 16914 1 889 . 1 1 86 86 LEU CA C 13 56.039 0.015 . 1 . . . . 393 LEU CA . 16914 1 890 . 1 1 86 86 LEU CB C 13 43.621 0.053 . 1 . . . . 393 LEU CB . 16914 1 891 . 1 1 86 86 LEU CD1 C 13 26.029 0.029 . 2 . . . . 393 LEU CD1 . 16914 1 892 . 1 1 86 86 LEU CD2 C 13 24.532 0.105 . 2 . . . . 393 LEU CD2 . 16914 1 893 . 1 1 86 86 LEU CG C 13 29.622 0 . 1 . . . . 393 LEU CG . 16914 1 894 . 1 1 86 86 LEU N N 15 126.777 0.038 . 1 . . . . 393 LEU N . 16914 1 895 . 1 1 87 87 LEU H H 1 8.858 0.004 . 1 . . . . 394 LEU H . 16914 1 896 . 1 1 87 87 LEU HA H 1 4.932 0.003 . 1 . . . . 394 LEU HA . 16914 1 897 . 1 1 87 87 LEU HB2 H 1 1.376 0.009 . . . . . . 394 LEU HB1 . 16914 1 898 . 1 1 87 87 LEU HB3 H 1 1.817 0.01 . 2 . . . . 394 LEU HB2 . 16914 1 899 . 1 1 87 87 LEU CA C 13 50.909 0.06 . 1 . . . . 394 LEU CA . 16914 1 900 . 1 1 87 87 LEU CB C 13 41.939 0.144 . 1 . . . . 394 LEU CB . 16914 1 901 . 1 1 87 87 LEU N N 15 127.396 0.057 . 1 . . . . 394 LEU N . 16914 1 902 . 1 1 88 88 PRO HA H 1 4.601 0.006 . 1 . . . . 395 PRO HA . 16914 1 903 . 1 1 88 88 PRO HB2 H 1 2.521 0.006 . . . . . . 395 PRO HB1 . 16914 1 904 . 1 1 88 88 PRO HB3 H 1 2.096 0.007 . 2 . . . . 395 PRO HB2 . 16914 1 905 . 1 1 88 88 PRO HD2 H 1 3.76 0.003 . . . . . . 395 PRO HD1 . 16914 1 906 . 1 1 88 88 PRO HD3 H 1 3.91 0.007 . 2 . . . . 395 PRO HD2 . 16914 1 907 . 1 1 88 88 PRO HG2 H 1 1.775 0.004 . . . . . . 395 PRO HG1 . 16914 1 908 . 1 1 88 88 PRO HG3 H 1 2.165 0.009 . 2 . . . . 395 PRO HG2 . 16914 1 909 . 1 1 88 88 PRO C C 13 176.205 0 . 1 . . . . 395 PRO C . 16914 1 910 . 1 1 88 88 PRO CA C 13 62.986 0.035 . 1 . . . . 395 PRO CA . 16914 1 911 . 1 1 88 88 PRO CB C 13 32.89 0.029 . 1 . . . . 395 PRO CB . 16914 1 912 . 1 1 88 88 PRO CD C 13 51.005 0.052 . 1 . . . . 395 PRO CD . 16914 1 913 . 1 1 88 88 PRO CG C 13 28.616 0 . 1 . . . . 395 PRO CG . 16914 1 914 . 1 1 89 89 ALA H H 1 8.22 0.005 . 1 . . . . 396 ALA H . 16914 1 915 . 1 1 89 89 ALA HA H 1 4.426 0.005 . 1 . . . . 396 ALA HA . 16914 1 916 . 1 1 89 89 ALA HB1 H 1 1.386 0.008 . . . . . . 396 ALA HB# . 16914 1 917 . 1 1 89 89 ALA HB2 H 1 1.386 0.008 . . . . . . 396 ALA HB# . 16914 1 918 . 1 1 89 89 ALA HB3 H 1 1.386 0.008 . . . . . . 396 ALA HB# . 16914 1 919 . 1 1 89 89 ALA C C 13 177.033 0 . 1 . . . . 396 ALA C . 16914 1 920 . 1 1 89 89 ALA CA C 13 52.308 0.084 . 1 . . . . 396 ALA CA . 16914 1 921 . 1 1 89 89 ALA CB C 13 20.42 0.03 . 1 . . . . 396 ALA CB . 16914 1 922 . 1 1 89 89 ALA N N 15 124.7 0.042 . 1 . . . . 396 ALA N . 16914 1 923 . 1 1 90 90 GLY H H 1 8.07 0.005 . 1 . . . . 397 GLY H . 16914 1 924 . 1 1 90 90 GLY CA C 13 46.312 0 . 1 . . . . 397 GLY CA . 16914 1 925 . 1 1 90 90 GLY N N 15 114.934 0.027 . 1 . . . . 397 GLY N . 16914 1 stop_ save_