data_6727 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6727 _Study_list.ID 1 loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . AtTRD1d 6727 1 . telomere 6727 1 . TRP 6727 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6727 _Entry.Title ; 1H, 13C and 15N resonance assignments of telomeric repeat-binding domain of Arabidopsis thaliana ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-07-08 _Entry.Accession_date 2005-07-11 _Entry.Last_release_date 2006-02-13 _Entry.Original_release_date 2006-02-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ying-Hsien Cheng . . . 6727 2 Shih-Che Sue . . . 6727 3 Hsin-Hao Hsaio . . . 6727 4 Tai-huang Huang . . . 6727 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6727 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 399 6727 '15N chemical shifts' 96 6727 '1H chemical shifts' 619 6727 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 . . 2006-02-13 2005-07-08 original author . 6727 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 5590 homolog 6727 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6727 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16337232 _Citation.Full_citation . _Citation.Title ; Solution Structure of the Arabidopsis thaliana Telomeric Repeat-binding Protein DNA Binding Domain: A New Fold with an Additional C-terminal Helix. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 356 _Citation.Journal_issue 1 _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 72 _Citation.Page_last 85 _Citation.Year 2005 _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 Shih-Che Sue . . . 6727 1 2 Hsin-Hao Hsaio . . . 6727 1 3 Chih-Pin Chung . P . 6727 1 4 Ying-Hsien Cheng . . . 6727 1 5 Kuang-Lung Hsueh . . . 6727 1 6 'Chung Mong' Chen . . . 6727 1 7 'Chia Hsing' Ho . . . 6727 1 8 Tai-huang Huang . . . 6727 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AtTRP1d 6727 1 telomere 6727 1 TRP 6727 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6727 _Assembly.ID 1 _Assembly.Name 'telomeric repeat-binding domain of Arabidopsis thaliana' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6727 1 stop_ 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 'telomeric repeat-binding domain of Arabidopsis thaliana' 1 $telomeric_repeat-binding_domain_of_Arabidopsis_thaliana . . yes native no no . . . 6727 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_telomeric_repeat-binding_domain_of_Arabidopsis_thaliana _Entity.Sf_category entity _Entity.Sf_framecode telomeric_repeat-binding_domain_of_Arabidopsis_thaliana _Entity.Entry_ID 6727 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'telomeric repeat-binding domain of Arabidopsis thaliana' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMLEDPQRRIRRPFSVAE VEALVQAVEKLGTGRWRDVK LCAFEDADHRTYVDLKDKWK TLVHTAKISPQQRRGEPVPQ ELLNRVLNAHGYWTQQQMQQ LQQNV ; _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 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2AJE . "Solution Structure Of The Arabidopsis Thaliana Telomeric Repeat-Binding Protein Dna Binding Domain" . . . . . 100.00 105 100.00 100.00 8.98e-71 . . . . 6727 1 2 no DBJ BAA97479 . "telomere repeat-binding protein [Arabidopsis thaliana]" . . . . . 92.38 578 100.00 100.00 1.54e-60 . . . . 6727 1 3 no DBJ BAH19498 . "AT5G59430 [Arabidopsis thaliana]" . . . . . 92.38 578 100.00 100.00 1.54e-60 . . . . 6727 1 4 no DBJ BAH56945 . "AT5G59430 [Arabidopsis thaliana]" . . . . . 86.67 571 100.00 100.00 2.81e-56 . . . . 6727 1 5 no EMBL CAB50690 . "telomere repeat-binding protein TRP1 [Arabidopsis thaliana]" . . . . . 92.38 578 100.00 100.00 1.84e-60 . . . . 6727 1 6 no GB AAM91585 . "telomere repeat-binding protein [Arabidopsis thaliana]" . . . . . 92.38 578 98.97 98.97 5.01e-60 . . . . 6727 1 7 no GB AAN15436 . "telomere repeat-binding protein [Arabidopsis thaliana]" . . . . . 92.38 578 98.97 98.97 5.01e-60 . . . . 6727 1 8 no GB AAS10014 . "MYB transcription factor [Arabidopsis thaliana]" . . . . . 92.38 578 100.00 100.00 1.54e-60 . . . . 6727 1 9 no GB AED97184 . "Telomere repeat-binding protein 1 [Arabidopsis thaliana]" . . . . . 92.38 578 100.00 100.00 1.54e-60 . . . . 6727 1 10 no GB AED97185 . "Telomere repeat-binding protein 1 [Arabidopsis thaliana]" . . . . . 92.38 578 100.00 100.00 1.54e-60 . . . . 6727 1 11 no REF NP_001078770 . "Telomere repeat-binding protein 1 [Arabidopsis thaliana]" . . . . . 88.57 568 98.92 98.92 4.79e-57 . . . . 6727 1 12 no REF NP_001078771 . "Telomere repeat-binding protein 1 [Arabidopsis thaliana]" . . . . . 92.38 577 100.00 100.00 1.52e-60 . . . . 6727 1 13 no REF NP_200751 . "Telomere repeat-binding protein 1 [Arabidopsis thaliana]" . . . . . 92.38 578 100.00 100.00 1.54e-60 . . . . 6727 1 14 no REF NP_851221 . "Telomere repeat-binding protein 1 [Arabidopsis thaliana]" . . . . . 92.38 578 100.00 100.00 1.54e-60 . . . . 6727 1 15 no REF XP_002864634 . "ATTRP1 [Arabidopsis lyrata subsp. lyrata]" . . . . . 90.48 574 98.95 98.95 1.03e-56 . . . . 6727 1 16 no SP Q8L7L8 . "RecName: Full=Telomere repeat-binding protein 1; Short=AtTRP1 [Arabidopsis thaliana]" . . . . . 92.38 578 100.00 100.00 1.54e-60 . . . . 6727 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID AtTRD1d . 6727 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID AtTRP1d 6727 1 TRP 6727 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 -8 GLY . 6727 1 2 -7 SER . 6727 1 3 -6 HIS . 6727 1 4 -5 MET . 6727 1 5 -4 LEU . 6727 1 6 -3 GLU . 6727 1 7 -2 ASP . 6727 1 8 -1 PRO . 6727 1 9 464 GLN . 6727 1 10 465 ARG . 6727 1 11 466 ARG . 6727 1 12 467 ILE . 6727 1 13 468 ARG . 6727 1 14 469 ARG . 6727 1 15 470 PRO . 6727 1 16 471 PHE . 6727 1 17 472 SER . 6727 1 18 473 VAL . 6727 1 19 474 ALA . 6727 1 20 475 GLU . 6727 1 21 476 VAL . 6727 1 22 477 GLU . 6727 1 23 478 ALA . 6727 1 24 479 LEU . 6727 1 25 480 VAL . 6727 1 26 481 GLN . 6727 1 27 482 ALA . 6727 1 28 483 VAL . 6727 1 29 484 GLU . 6727 1 30 485 LYS . 6727 1 31 486 LEU . 6727 1 32 487 GLY . 6727 1 33 488 THR . 6727 1 34 489 GLY . 6727 1 35 490 ARG . 6727 1 36 491 TRP . 6727 1 37 492 ARG . 6727 1 38 493 ASP . 6727 1 39 494 VAL . 6727 1 40 495 LYS . 6727 1 41 496 LEU . 6727 1 42 497 CYS . 6727 1 43 498 ALA . 6727 1 44 499 PHE . 6727 1 45 500 GLU . 6727 1 46 501 ASP . 6727 1 47 502 ALA . 6727 1 48 503 ASP . 6727 1 49 504 HIS . 6727 1 50 505 ARG . 6727 1 51 506 THR . 6727 1 52 507 TYR . 6727 1 53 508 VAL . 6727 1 54 509 ASP . 6727 1 55 510 LEU . 6727 1 56 511 LYS . 6727 1 57 512 ASP . 6727 1 58 513 LYS . 6727 1 59 514 TRP . 6727 1 60 515 LYS . 6727 1 61 516 THR . 6727 1 62 517 LEU . 6727 1 63 518 VAL . 6727 1 64 519 HIS . 6727 1 65 520 THR . 6727 1 66 521 ALA . 6727 1 67 522 LYS . 6727 1 68 523 ILE . 6727 1 69 524 SER . 6727 1 70 525 PRO . 6727 1 71 526 GLN . 6727 1 72 527 GLN . 6727 1 73 528 ARG . 6727 1 74 529 ARG . 6727 1 75 530 GLY . 6727 1 76 531 GLU . 6727 1 77 532 PRO . 6727 1 78 533 VAL . 6727 1 79 534 PRO . 6727 1 80 535 GLN . 6727 1 81 536 GLU . 6727 1 82 537 LEU . 6727 1 83 538 LEU . 6727 1 84 539 ASN . 6727 1 85 540 ARG . 6727 1 86 541 VAL . 6727 1 87 542 LEU . 6727 1 88 543 ASN . 6727 1 89 544 ALA . 6727 1 90 545 HIS . 6727 1 91 546 GLY . 6727 1 92 547 TYR . 6727 1 93 548 TRP . 6727 1 94 549 THR . 6727 1 95 550 GLN . 6727 1 96 551 GLN . 6727 1 97 552 GLN . 6727 1 98 553 MET . 6727 1 99 554 GLN . 6727 1 100 555 GLN . 6727 1 101 556 LEU . 6727 1 102 557 GLN . 6727 1 103 558 GLN . 6727 1 104 559 ASN . 6727 1 105 560 VAL . 6727 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6727 1 . SER 2 2 6727 1 . HIS 3 3 6727 1 . MET 4 4 6727 1 . LEU 5 5 6727 1 . GLU 6 6 6727 1 . ASP 7 7 6727 1 . PRO 8 8 6727 1 . GLN 9 9 6727 1 . ARG 10 10 6727 1 . ARG 11 11 6727 1 . ILE 12 12 6727 1 . ARG 13 13 6727 1 . ARG 14 14 6727 1 . PRO 15 15 6727 1 . PHE 16 16 6727 1 . SER 17 17 6727 1 . VAL 18 18 6727 1 . ALA 19 19 6727 1 . GLU 20 20 6727 1 . VAL 21 21 6727 1 . GLU 22 22 6727 1 . ALA 23 23 6727 1 . LEU 24 24 6727 1 . VAL 25 25 6727 1 . GLN 26 26 6727 1 . ALA 27 27 6727 1 . VAL 28 28 6727 1 . GLU 29 29 6727 1 . LYS 30 30 6727 1 . LEU 31 31 6727 1 . GLY 32 32 6727 1 . THR 33 33 6727 1 . GLY 34 34 6727 1 . ARG 35 35 6727 1 . TRP 36 36 6727 1 . ARG 37 37 6727 1 . ASP 38 38 6727 1 . VAL 39 39 6727 1 . LYS 40 40 6727 1 . LEU 41 41 6727 1 . CYS 42 42 6727 1 . ALA 43 43 6727 1 . PHE 44 44 6727 1 . GLU 45 45 6727 1 . ASP 46 46 6727 1 . ALA 47 47 6727 1 . ASP 48 48 6727 1 . HIS 49 49 6727 1 . ARG 50 50 6727 1 . THR 51 51 6727 1 . TYR 52 52 6727 1 . VAL 53 53 6727 1 . ASP 54 54 6727 1 . LEU 55 55 6727 1 . LYS 56 56 6727 1 . ASP 57 57 6727 1 . LYS 58 58 6727 1 . TRP 59 59 6727 1 . LYS 60 60 6727 1 . THR 61 61 6727 1 . LEU 62 62 6727 1 . VAL 63 63 6727 1 . HIS 64 64 6727 1 . THR 65 65 6727 1 . ALA 66 66 6727 1 . LYS 67 67 6727 1 . ILE 68 68 6727 1 . SER 69 69 6727 1 . PRO 70 70 6727 1 . GLN 71 71 6727 1 . GLN 72 72 6727 1 . ARG 73 73 6727 1 . ARG 74 74 6727 1 . GLY 75 75 6727 1 . GLU 76 76 6727 1 . PRO 77 77 6727 1 . VAL 78 78 6727 1 . PRO 79 79 6727 1 . GLN 80 80 6727 1 . GLU 81 81 6727 1 . LEU 82 82 6727 1 . LEU 83 83 6727 1 . ASN 84 84 6727 1 . ARG 85 85 6727 1 . VAL 86 86 6727 1 . LEU 87 87 6727 1 . ASN 88 88 6727 1 . ALA 89 89 6727 1 . HIS 90 90 6727 1 . GLY 91 91 6727 1 . TYR 92 92 6727 1 . TRP 93 93 6727 1 . THR 94 94 6727 1 . GLN 95 95 6727 1 . GLN 96 96 6727 1 . GLN 97 97 6727 1 . MET 98 98 6727 1 . GLN 99 99 6727 1 . GLN 100 100 6727 1 . LEU 101 101 6727 1 . GLN 102 102 6727 1 . GLN 103 103 6727 1 . ASN 104 104 6727 1 . VAL 105 105 6727 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 6727 _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 $telomeric_repeat-binding_domain_of_Arabidopsis_thaliana . 3702 . no . 'Arabidopsis thaliana' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 6727 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 6727 _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 $telomeric_repeat-binding_domain_of_Arabidopsis_thaliana . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6727 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6727 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AtTRP1d '[U-13C; U-15N]' . . 1 $telomeric_repeat-binding_domain_of_Arabidopsis_thaliana . . 1 . . mM . . . . 6727 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6727 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 7.4 0.1 pH 6727 1 temperature 298 0.1 K 6727 1 stop_ save_ ############################ # Computer software used # ############################ save_Xwinnmr _Software.Sf_category software _Software.Sf_framecode Xwinnmr _Software.Entry_ID 6727 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6727 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6727 _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 '1H-15N HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6727 1 2 HNCA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6727 1 3 HN(CO)CA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6727 1 4 HNCO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6727 1 5 CBCANH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6727 1 6 CBCA(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6727 1 7 HCCH-TOSCY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6727 1 8 HCCH-COSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6727 1 9 HBHA(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6727 1 10 '15N NOESY-HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6727 1 11 '13C NOESY-HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6727 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6727 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $Xwinnmr _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6727 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.251449530 . . . . . . . . . 6727 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6727 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . . . . . 6727 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6727 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6727 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 9 9 GLN H H 1 8.428 0.04 . 1 . . . . 9 GLN H . 6727 1 2 . 1 1 9 9 GLN HA H 1 4.184 0.04 . 1 . . . . 9 GLN HA . 6727 1 3 . 1 1 9 9 GLN HB2 H 1 2.022 0.04 . 2 . . . . 9 GLN HB2 . 6727 1 4 . 1 1 9 9 GLN HB3 H 1 2.077 0.04 . 2 . . . . 9 GLN HB3 . 6727 1 5 . 1 1 9 9 GLN HG2 H 1 2.295 0.04 . 1 . . . . 9 GLN HG2 . 6727 1 6 . 1 1 9 9 GLN HG3 H 1 2.295 0.04 . 1 . . . . 9 GLN HG3 . 6727 1 7 . 1 1 9 9 GLN C C 13 176.353 0.4 . 1 . . . . 9 GLN C . 6727 1 8 . 1 1 9 9 GLN CA C 13 56.29 0.4 . 1 . . . . 9 GLN CA . 6727 1 9 . 1 1 9 9 GLN CB C 13 28.815 0.4 . 1 . . . . 9 GLN CB . 6727 1 10 . 1 1 9 9 GLN CG C 13 33.947 0.4 . 1 . . . . 9 GLN CG . 6727 1 11 . 1 1 9 9 GLN N N 15 117.25 0.4 . 1 . . . . 9 GLN N . 6727 1 12 . 1 1 10 10 ARG H H 1 7.915 0.04 . 1 . . . . 10 ARG H . 6727 1 13 . 1 1 10 10 ARG HA H 1 4.246 0.04 . 1 . . . . 10 ARG HA . 6727 1 14 . 1 1 10 10 ARG HB2 H 1 1.747 0.04 . 2 . . . . 10 ARG HB2 . 6727 1 15 . 1 1 10 10 ARG HB3 H 1 1.689 0.04 . 2 . . . . 10 ARG HB3 . 6727 1 16 . 1 1 10 10 ARG HG2 H 1 1.522 0.04 . 2 . . . . 10 ARG HG2 . 6727 1 17 . 1 1 10 10 ARG HG3 H 1 1.552 0.04 . 2 . . . . 10 ARG HG3 . 6727 1 18 . 1 1 10 10 ARG HD2 H 1 3.134 0.04 . 1 . . . . 10 ARG HD2 . 6727 1 19 . 1 1 10 10 ARG HD3 H 1 3.134 0.04 . 1 . . . . 10 ARG HD3 . 6727 1 20 . 1 1 10 10 ARG C C 13 176.017 0.4 . 1 . . . . 10 ARG C . 6727 1 21 . 1 1 10 10 ARG CA C 13 56.28 0.4 . 1 . . . . 10 ARG CA . 6727 1 22 . 1 1 10 10 ARG CB C 13 30.188 0.4 . 1 . . . . 10 ARG CB . 6727 1 23 . 1 1 10 10 ARG CG C 13 26.908 0.4 . 1 . . . . 10 ARG CG . 6727 1 24 . 1 1 10 10 ARG CD C 13 43.213 0.4 . 1 . . . . 10 ARG CD . 6727 1 25 . 1 1 10 10 ARG N N 15 120.185 0.4 . 1 . . . . 10 ARG N . 6727 1 26 . 1 1 11 11 ARG H H 1 8.064 0.04 . 1 . . . . 11 ARG H . 6727 1 27 . 1 1 11 11 ARG HA H 1 4.264 0.04 . 1 . . . . 11 ARG HA . 6727 1 28 . 1 1 11 11 ARG HB2 H 1 1.741 0.04 . 2 . . . . 11 ARG HB2 . 6727 1 29 . 1 1 11 11 ARG HB3 H 1 1.734 0.04 . 2 . . . . 11 ARG HB3 . 6727 1 30 . 1 1 11 11 ARG HG2 H 1 1.685 0.04 . 2 . . . . 11 ARG HG2 . 6727 1 31 . 1 1 11 11 ARG HG3 H 1 1.548 0.04 . 2 . . . . 11 ARG HG3 . 6727 1 32 . 1 1 11 11 ARG HD2 H 1 3.114 0.04 . 1 . . . . 11 ARG HD2 . 6727 1 33 . 1 1 11 11 ARG HD3 H 1 3.114 0.04 . 1 . . . . 11 ARG HD3 . 6727 1 34 . 1 1 11 11 ARG C C 13 176.02 0.4 . 1 . . . . 11 ARG C . 6727 1 35 . 1 1 11 11 ARG CA C 13 56.185 0.4 . 1 . . . . 11 ARG CA . 6727 1 36 . 1 1 11 11 ARG CB C 13 30.737 0.4 . 1 . . . . 11 ARG CB . 6727 1 37 . 1 1 11 11 ARG CG C 13 26.908 0.4 . 1 . . . . 11 ARG CG . 6727 1 38 . 1 1 11 11 ARG CD C 13 43.211 0.4 . 1 . . . . 11 ARG CD . 6727 1 39 . 1 1 11 11 ARG N N 15 121.249 0.4 . 1 . . . . 11 ARG N . 6727 1 40 . 1 1 12 12 ILE H H 1 8.192 0.04 . 1 . . . . 12 ILE H . 6727 1 41 . 1 1 12 12 ILE HA H 1 4.061 0.04 . 1 . . . . 12 ILE HA . 6727 1 42 . 1 1 12 12 ILE HB H 1 1.781 0.04 . 1 . . . . 12 ILE HB . 6727 1 43 . 1 1 12 12 ILE HG12 H 1 1.424 0.04 . 2 . . . . 12 ILE HG12 . 6727 1 44 . 1 1 12 12 ILE HG13 H 1 1.129 0.04 . 2 . . . . 12 ILE HG13 . 6727 1 45 . 1 1 12 12 ILE HG21 H 1 0.803 0.04 . 1 . . . . 12 ILE HG2 . 6727 1 46 . 1 1 12 12 ILE HG22 H 1 0.803 0.04 . 1 . . . . 12 ILE HG2 . 6727 1 47 . 1 1 12 12 ILE HG23 H 1 0.803 0.04 . 1 . . . . 12 ILE HG2 . 6727 1 48 . 1 1 12 12 ILE HD11 H 1 0.794 0.04 . 1 . . . . 12 ILE HD1 . 6727 1 49 . 1 1 12 12 ILE HD12 H 1 0.794 0.04 . 1 . . . . 12 ILE HD1 . 6727 1 50 . 1 1 12 12 ILE HD13 H 1 0.794 0.04 . 1 . . . . 12 ILE HD1 . 6727 1 51 . 1 1 12 12 ILE C C 13 176.107 0.4 . 1 . . . . 12 ILE C . 6727 1 52 . 1 1 12 12 ILE CA C 13 61.001 0.4 . 1 . . . . 12 ILE CA . 6727 1 53 . 1 1 12 12 ILE CB C 13 38.149 0.4 . 1 . . . . 12 ILE CB . 6727 1 54 . 1 1 12 12 ILE CG1 C 13 27.107 0.4 . 1 . . . . 12 ILE CG1 . 6727 1 55 . 1 1 12 12 ILE CG2 C 13 16.922 0.4 . 1 . . . . 12 ILE CG2 . 6727 1 56 . 1 1 12 12 ILE CD1 C 13 12.272 0.4 . 1 . . . . 12 ILE CD1 . 6727 1 57 . 1 1 12 12 ILE N N 15 122.963 0.4 . 1 . . . . 12 ILE N . 6727 1 58 . 1 1 13 13 ARG H H 1 8.467 0.04 . 1 . . . . 13 ARG H . 6727 1 59 . 1 1 13 13 ARG HA H 1 4.358 0.04 . 1 . . . . 13 ARG HA . 6727 1 60 . 1 1 13 13 ARG HB2 H 1 1.721 0.04 . 1 . . . . 13 ARG HB2 . 6727 1 61 . 1 1 13 13 ARG HB3 H 1 1.721 0.04 . 1 . . . . 13 ARG HB3 . 6727 1 62 . 1 1 13 13 ARG HG2 H 1 1.658 0.04 . 1 . . . . 13 ARG HG2 . 6727 1 63 . 1 1 13 13 ARG HG3 H 1 1.658 0.04 . 1 . . . . 13 ARG HG3 . 6727 1 64 . 1 1 13 13 ARG HD2 H 1 3.14 0.04 . 1 . . . . 13 ARG HD2 . 6727 1 65 . 1 1 13 13 ARG HD3 H 1 3.14 0.04 . 1 . . . . 13 ARG HD3 . 6727 1 66 . 1 1 13 13 ARG C C 13 175.853 0.4 . 1 . . . . 13 ARG C . 6727 1 67 . 1 1 13 13 ARG CA C 13 55.501 0.4 . 1 . . . . 13 ARG CA . 6727 1 68 . 1 1 13 13 ARG CB C 13 30.737 0.4 . 1 . . . . 13 ARG CB . 6727 1 69 . 1 1 13 13 ARG CG C 13 27.107 0.4 . 1 . . . . 13 ARG CG . 6727 1 70 . 1 1 13 13 ARG CD C 13 43.213 0.4 . 1 . . . . 13 ARG CD . 6727 1 71 . 1 1 13 13 ARG N N 15 126.39 0.4 . 1 . . . . 13 ARG N . 6727 1 72 . 1 1 14 14 ARG H H 1 8.833 0.04 . 1 . . . . 14 ARG H . 6727 1 73 . 1 1 14 14 ARG C C 13 174.853 0.4 . 1 . . . . 14 ARG C . 6727 1 74 . 1 1 14 14 ARG CA C 13 53.636 0.4 . 1 . . . . 14 ARG CA . 6727 1 75 . 1 1 14 14 ARG CB C 13 30.117 0.4 . 1 . . . . 14 ARG CB . 6727 1 76 . 1 1 14 14 ARG N N 15 124.105 0.4 . 1 . . . . 14 ARG N . 6727 1 77 . 1 1 15 15 PRO HA H 1 4.557 0.04 . 1 . . . . 15 PRO HA . 6727 1 78 . 1 1 15 15 PRO HB2 H 1 2.364 0.04 . 2 . . . . 15 PRO HB2 . 6727 1 79 . 1 1 15 15 PRO HB3 H 1 1.839 0.04 . 2 . . . . 15 PRO HB3 . 6727 1 80 . 1 1 15 15 PRO HG2 H 1 2.003 0.04 . 1 . . . . 15 PRO HG2 . 6727 1 81 . 1 1 15 15 PRO HG3 H 1 2.003 0.04 . 1 . . . . 15 PRO HG3 . 6727 1 82 . 1 1 15 15 PRO C C 13 177.196 0.4 . 1 . . . . 15 PRO C . 6727 1 83 . 1 1 15 15 PRO CA C 13 63.264 0.4 . 1 . . . . 15 PRO CA . 6727 1 84 . 1 1 15 15 PRO CB C 13 32.007 0.4 . 1 . . . . 15 PRO CB . 6727 1 85 . 1 1 15 15 PRO CG C 13 27.406 0.4 . 1 . . . . 15 PRO CG . 6727 1 86 . 1 1 16 16 PHE H H 1 9.287 0.04 . 1 . . . . 16 PHE H . 6727 1 87 . 1 1 16 16 PHE HA H 1 4.667 0.04 . 1 . . . . 16 PHE HA . 6727 1 88 . 1 1 16 16 PHE HB2 H 1 2.966 0.04 . 2 . . . . 16 PHE HB2 . 6727 1 89 . 1 1 16 16 PHE HB3 H 1 2.935 0.04 . 2 . . . . 16 PHE HB3 . 6727 1 90 . 1 1 16 16 PHE HD1 H 1 7.278 0.04 . 1 . . . . 16 PHE HD1 . 6727 1 91 . 1 1 16 16 PHE HD2 H 1 7.278 0.04 . 1 . . . . 16 PHE HD2 . 6727 1 92 . 1 1 16 16 PHE HE1 H 1 7.082 0.04 . 1 . . . . 16 PHE HE1 . 6727 1 93 . 1 1 16 16 PHE HE2 H 1 7.082 0.04 . 1 . . . . 16 PHE HE2 . 6727 1 94 . 1 1 16 16 PHE HZ H 1 6.708 0.04 . 1 . . . . 16 PHE HZ . 6727 1 95 . 1 1 16 16 PHE C C 13 177.236 0.4 . 1 . . . . 16 PHE C . 6727 1 96 . 1 1 16 16 PHE CA C 13 57.645 0.4 . 1 . . . . 16 PHE CA . 6727 1 97 . 1 1 16 16 PHE CB C 13 39.521 0.4 . 1 . . . . 16 PHE CB . 6727 1 98 . 1 1 16 16 PHE CD1 C 13 131.124 0.4 . 1 . . . . 16 PHE CD1 . 6727 1 99 . 1 1 16 16 PHE CD2 C 13 131.124 0.4 . 1 . . . . 16 PHE CD2 . 6727 1 100 . 1 1 16 16 PHE CE1 C 13 130.734 0.4 . 1 . . . . 16 PHE CE1 . 6727 1 101 . 1 1 16 16 PHE CE2 C 13 130.734 0.4 . 1 . . . . 16 PHE CE2 . 6727 1 102 . 1 1 16 16 PHE CZ C 13 128.059 0.4 . 1 . . . . 16 PHE CZ . 6727 1 103 . 1 1 16 16 PHE N N 15 124.676 0.4 . 1 . . . . 16 PHE N . 6727 1 104 . 1 1 17 17 SER H H 1 9.412 0.04 . 1 . . . . 17 SER H . 6727 1 105 . 1 1 17 17 SER HA H 1 4.687 0.04 . 1 . . . . 17 SER HA . 6727 1 106 . 1 1 17 17 SER HB2 H 1 4.451 0.04 . 2 . . . . 17 SER HB2 . 6727 1 107 . 1 1 17 17 SER HB3 H 1 4.092 0.04 . 2 . . . . 17 SER HB3 . 6727 1 108 . 1 1 17 17 SER C C 13 175.484 0.4 . 1 . . . . 17 SER C . 6727 1 109 . 1 1 17 17 SER CA C 13 56.577 0.4 . 1 . . . . 17 SER CA . 6727 1 110 . 1 1 17 17 SER CB C 13 65.599 0.4 . 1 . . . . 17 SER CB . 6727 1 111 . 1 1 17 17 SER N N 15 121.249 0.4 . 1 . . . . 17 SER N . 6727 1 112 . 1 1 18 18 VAL H H 1 8.97 0.04 . 1 . . . . 18 VAL H . 6727 1 113 . 1 1 18 18 VAL HA H 1 3.699 0.04 . 1 . . . . 18 VAL HA . 6727 1 114 . 1 1 18 18 VAL HB H 1 2.091 0.04 . 1 . . . . 18 VAL HB . 6727 1 115 . 1 1 18 18 VAL HG11 H 1 0.975 0.04 . 2 . . . . 18 VAL HG1 . 6727 1 116 . 1 1 18 18 VAL HG12 H 1 0.975 0.04 . 2 . . . . 18 VAL HG1 . 6727 1 117 . 1 1 18 18 VAL HG13 H 1 0.975 0.04 . 2 . . . . 18 VAL HG1 . 6727 1 118 . 1 1 18 18 VAL HG21 H 1 1.117 0.04 . 2 . . . . 18 VAL HG2 . 6727 1 119 . 1 1 18 18 VAL HG22 H 1 1.117 0.04 . 2 . . . . 18 VAL HG2 . 6727 1 120 . 1 1 18 18 VAL HG23 H 1 1.117 0.04 . 2 . . . . 18 VAL HG2 . 6727 1 121 . 1 1 18 18 VAL C C 13 177.844 0.4 . 1 . . . . 18 VAL C . 6727 1 122 . 1 1 18 18 VAL CA C 13 67.578 0.4 . 1 . . . . 18 VAL CA . 6727 1 123 . 1 1 18 18 VAL CB C 13 30.615 0.4 . 1 . . . . 18 VAL CB . 6727 1 124 . 1 1 18 18 VAL CG1 C 13 21.154 0.4 . 2 . . . . 18 VAL CG1 . 6727 1 125 . 1 1 18 18 VAL CG2 C 13 22.9 0.4 . 2 . . . . 18 VAL CG2 . 6727 1 126 . 1 1 18 18 VAL N N 15 121.82 0.4 . 1 . . . . 18 VAL N . 6727 1 127 . 1 1 19 19 ALA H H 1 8.296 0.04 . 1 . . . . 19 ALA H . 6727 1 128 . 1 1 19 19 ALA HA H 1 4.274 0.04 . 1 . . . . 19 ALA HA . 6727 1 129 . 1 1 19 19 ALA HB1 H 1 1.407 0.04 . 1 . . . . 19 ALA HB . 6727 1 130 . 1 1 19 19 ALA HB2 H 1 1.407 0.04 . 1 . . . . 19 ALA HB . 6727 1 131 . 1 1 19 19 ALA HB3 H 1 1.407 0.04 . 1 . . . . 19 ALA HB . 6727 1 132 . 1 1 19 19 ALA C C 13 181.618 0.4 . 1 . . . . 19 ALA C . 6727 1 133 . 1 1 19 19 ALA CA C 13 55.026 0.4 . 1 . . . . 19 ALA CA . 6727 1 134 . 1 1 19 19 ALA CB C 13 17.835 0.4 . 1 . . . . 19 ALA CB . 6727 1 135 . 1 1 19 19 ALA N N 15 121.82 0.4 . 1 . . . . 19 ALA N . 6727 1 136 . 1 1 20 20 GLU H H 1 8.068 0.04 . 1 . . . . 20 GLU H . 6727 1 137 . 1 1 20 20 GLU HA H 1 4.229 0.04 . 1 . . . . 20 GLU HA . 6727 1 138 . 1 1 20 20 GLU HB2 H 1 2.729 0.04 . 2 . . . . 20 GLU HB2 . 6727 1 139 . 1 1 20 20 GLU HB3 H 1 2.212 0.04 . 2 . . . . 20 GLU HB3 . 6727 1 140 . 1 1 20 20 GLU C C 13 179.113 0.4 . 1 . . . . 20 GLU C . 6727 1 141 . 1 1 20 20 GLU CA C 13 60.015 0.4 . 1 . . . . 20 GLU CA . 6727 1 142 . 1 1 20 20 GLU CB C 13 32.603 0.4 . 1 . . . . 20 GLU CB . 6727 1 143 . 1 1 20 20 GLU CG C 13 38.956 0.4 . 1 . . . . 20 GLU CG . 6727 1 144 . 1 1 20 20 GLU N N 15 118.964 0.4 . 1 . . . . 20 GLU N . 6727 1 145 . 1 1 21 21 VAL H H 1 8.569 0.04 . 1 . . . . 21 VAL H . 6727 1 146 . 1 1 21 21 VAL HA H 1 3.67 0.04 . 1 . . . . 21 VAL HA . 6727 1 147 . 1 1 21 21 VAL HB H 1 2.414 0.04 . 1 . . . . 21 VAL HB . 6727 1 148 . 1 1 21 21 VAL HG11 H 1 0.923 0.04 . 2 . . . . 21 VAL HG1 . 6727 1 149 . 1 1 21 21 VAL HG12 H 1 0.923 0.04 . 2 . . . . 21 VAL HG1 . 6727 1 150 . 1 1 21 21 VAL HG13 H 1 0.923 0.04 . 2 . . . . 21 VAL HG1 . 6727 1 151 . 1 1 21 21 VAL HG21 H 1 1.09 0.04 . 2 . . . . 21 VAL HG2 . 6727 1 152 . 1 1 21 21 VAL HG22 H 1 1.09 0.04 . 2 . . . . 21 VAL HG2 . 6727 1 153 . 1 1 21 21 VAL HG23 H 1 1.09 0.04 . 2 . . . . 21 VAL HG2 . 6727 1 154 . 1 1 21 21 VAL C C 13 177.608 0.4 . 1 . . . . 21 VAL C . 6727 1 155 . 1 1 21 21 VAL CA C 13 68.326 0.4 . 1 . . . . 21 VAL CA . 6727 1 156 . 1 1 21 21 VAL CB C 13 30.714 0.4 . 1 . . . . 21 VAL CB . 6727 1 157 . 1 1 21 21 VAL CG1 C 13 24.021 0.4 . 2 . . . . 21 VAL CG1 . 6727 1 158 . 1 1 21 21 VAL CG2 C 13 23.124 0.4 . 2 . . . . 21 VAL CG2 . 6727 1 159 . 1 1 21 21 VAL N N 15 120.677 0.4 . 1 . . . . 21 VAL N . 6727 1 160 . 1 1 22 22 GLU H H 1 8.821 0.04 . 1 . . . . 22 GLU H . 6727 1 161 . 1 1 22 22 GLU HA H 1 3.822 0.04 . 1 . . . . 22 GLU HA . 6727 1 162 . 1 1 22 22 GLU HB2 H 1 2.172 0.04 . 2 . . . . 22 GLU HB2 . 6727 1 163 . 1 1 22 22 GLU HB3 H 1 2.144 0.04 . 2 . . . . 22 GLU HB3 . 6727 1 164 . 1 1 22 22 GLU HG2 H 1 2.207 0.04 . 1 . . . . 22 GLU HG2 . 6727 1 165 . 1 1 22 22 GLU HG3 H 1 2.207 0.04 . 1 . . . . 22 GLU HG3 . 6727 1 166 . 1 1 22 22 GLU C C 13 177.934 0.4 . 1 . . . . 22 GLU C . 6727 1 167 . 1 1 22 22 GLU CA C 13 60.606 0.4 . 1 . . . . 22 GLU CA . 6727 1 168 . 1 1 22 22 GLU CB C 13 28.825 0.4 . 1 . . . . 22 GLU CB . 6727 1 169 . 1 1 22 22 GLU CG C 13 36.466 0.4 . 1 . . . . 22 GLU CG . 6727 1 170 . 1 1 22 22 GLU N N 15 120.106 0.4 . 1 . . . . 22 GLU N . 6727 1 171 . 1 1 23 23 ALA H H 1 8.047 0.04 . 1 . . . . 23 ALA H . 6727 1 172 . 1 1 23 23 ALA HA H 1 4.12 0.04 . 1 . . . . 23 ALA HA . 6727 1 173 . 1 1 23 23 ALA HB1 H 1 1.354 0.04 . 1 . . . . 23 ALA HB . 6727 1 174 . 1 1 23 23 ALA HB2 H 1 1.354 0.04 . 1 . . . . 23 ALA HB . 6727 1 175 . 1 1 23 23 ALA HB3 H 1 1.354 0.04 . 1 . . . . 23 ALA HB . 6727 1 176 . 1 1 23 23 ALA C C 13 180.4 0.4 . 1 . . . . 23 ALA C . 6727 1 177 . 1 1 23 23 ALA CA C 13 54.975 0.4 . 1 . . . . 23 ALA CA . 6727 1 178 . 1 1 23 23 ALA CB C 13 17.835 0.4 . 1 . . . . 23 ALA CB . 6727 1 179 . 1 1 23 23 ALA N N 15 120.677 0.4 . 1 . . . . 23 ALA N . 6727 1 180 . 1 1 24 24 LEU H H 1 8.529 0.04 . 1 . . . . 24 LEU H . 6727 1 181 . 1 1 24 24 LEU HA H 1 4.271 0.04 . 1 . . . . 24 LEU HA . 6727 1 182 . 1 1 24 24 LEU HB2 H 1 2.654 0.04 . 2 . . . . 24 LEU HB2 . 6727 1 183 . 1 1 24 24 LEU HB3 H 1 1.887 0.04 . 2 . . . . 24 LEU HB3 . 6727 1 184 . 1 1 24 24 LEU HG H 1 1.895 0.04 . 1 . . . . 24 LEU HG . 6727 1 185 . 1 1 24 24 LEU HD11 H 1 1.227 0.04 . 2 . . . . 24 LEU HD1 . 6727 1 186 . 1 1 24 24 LEU HD12 H 1 1.227 0.04 . 2 . . . . 24 LEU HD1 . 6727 1 187 . 1 1 24 24 LEU HD13 H 1 1.227 0.04 . 2 . . . . 24 LEU HD1 . 6727 1 188 . 1 1 24 24 LEU HD21 H 1 1.003 0.04 . 2 . . . . 24 LEU HD2 . 6727 1 189 . 1 1 24 24 LEU HD22 H 1 1.003 0.04 . 2 . . . . 24 LEU HD2 . 6727 1 190 . 1 1 24 24 LEU HD23 H 1 1.003 0.04 . 2 . . . . 24 LEU HD2 . 6727 1 191 . 1 1 24 24 LEU C C 13 177.197 0.4 . 1 . . . . 24 LEU C . 6727 1 192 . 1 1 24 24 LEU CA C 13 58.722 0.4 . 1 . . . . 24 LEU CA . 6727 1 193 . 1 1 24 24 LEU CB C 13 42.815 0.4 . 1 . . . . 24 LEU CB . 6727 1 194 . 1 1 24 24 LEU CG C 13 27.306 0.4 . 1 . . . . 24 LEU CG . 6727 1 195 . 1 1 24 24 LEU CD1 C 13 26.536 0.4 . 2 . . . . 24 LEU CD1 . 6727 1 196 . 1 1 24 24 LEU CD2 C 13 24.825 0.4 . 2 . . . . 24 LEU CD2 . 6727 1 197 . 1 1 24 24 LEU N N 15 119.535 0.4 . 1 . . . . 24 LEU N . 6727 1 198 . 1 1 25 25 VAL H H 1 8.967 0.04 . 1 . . . . 25 VAL H . 6727 1 199 . 1 1 25 25 VAL HA H 1 3.746 0.04 . 1 . . . . 25 VAL HA . 6727 1 200 . 1 1 25 25 VAL HB H 1 2.187 0.04 . 1 . . . . 25 VAL HB . 6727 1 201 . 1 1 25 25 VAL HG11 H 1 1.191 0.04 . 2 . . . . 25 VAL HG1 . 6727 1 202 . 1 1 25 25 VAL HG12 H 1 1.191 0.04 . 2 . . . . 25 VAL HG1 . 6727 1 203 . 1 1 25 25 VAL HG13 H 1 1.191 0.04 . 2 . . . . 25 VAL HG1 . 6727 1 204 . 1 1 25 25 VAL HG21 H 1 0.966 0.04 . 2 . . . . 25 VAL HG2 . 6727 1 205 . 1 1 25 25 VAL HG22 H 1 0.966 0.04 . 2 . . . . 25 VAL HG2 . 6727 1 206 . 1 1 25 25 VAL HG23 H 1 0.966 0.04 . 2 . . . . 25 VAL HG2 . 6727 1 207 . 1 1 25 25 VAL C C 13 177.209 0.4 . 1 . . . . 25 VAL C . 6727 1 208 . 1 1 25 25 VAL CA C 13 67.528 0.4 . 1 . . . . 25 VAL CA . 6727 1 209 . 1 1 25 25 VAL CB C 13 31.561 0.4 . 1 . . . . 25 VAL CB . 6727 1 210 . 1 1 25 25 VAL CG1 C 13 24.22 0.4 . 2 . . . . 25 VAL CG1 . 6727 1 211 . 1 1 25 25 VAL CG2 C 13 21.332 0.4 . 2 . . . . 25 VAL CG2 . 6727 1 212 . 1 1 25 25 VAL N N 15 118.392 0.4 . 1 . . . . 25 VAL N . 6727 1 213 . 1 1 26 26 GLN H H 1 8.613 0.04 . 1 . . . . 26 GLN H . 6727 1 214 . 1 1 26 26 GLN HA H 1 4.369 0.04 . 1 . . . . 26 GLN HA . 6727 1 215 . 1 1 26 26 GLN HB2 H 1 2.205 0.04 . 2 . . . . 26 GLN HB2 . 6727 1 216 . 1 1 26 26 GLN HB3 H 1 2.049 0.04 . 2 . . . . 26 GLN HB3 . 6727 1 217 . 1 1 26 26 GLN HG2 H 1 2.599 0.04 . 2 . . . . 26 GLN HG2 . 6727 1 218 . 1 1 26 26 GLN HG3 H 1 2.308 0.04 . 2 . . . . 26 GLN HG3 . 6727 1 219 . 1 1 26 26 GLN C C 13 178.738 0.4 . 1 . . . . 26 GLN C . 6727 1 220 . 1 1 26 26 GLN CA C 13 58.714 0.4 . 1 . . . . 26 GLN CA . 6727 1 221 . 1 1 26 26 GLN CB C 13 28.541 0.4 . 1 . . . . 26 GLN CB . 6727 1 222 . 1 1 26 26 GLN CG C 13 34.176 0.4 . 1 . . . . 26 GLN CG . 6727 1 223 . 1 1 26 26 GLN N N 15 117.821 0.4 . 1 . . . . 26 GLN N . 6727 1 224 . 1 1 27 27 ALA H H 1 7.837 0.04 . 1 . . . . 27 ALA H . 6727 1 225 . 1 1 27 27 ALA HA H 1 4.194 0.04 . 1 . . . . 27 ALA HA . 6727 1 226 . 1 1 27 27 ALA HB1 H 1 1.571 0.04 . 1 . . . . 27 ALA HB . 6727 1 227 . 1 1 27 27 ALA HB2 H 1 1.571 0.04 . 1 . . . . 27 ALA HB . 6727 1 228 . 1 1 27 27 ALA HB3 H 1 1.571 0.04 . 1 . . . . 27 ALA HB . 6727 1 229 . 1 1 27 27 ALA C C 13 179.103 0.4 . 1 . . . . 27 ALA C . 6727 1 230 . 1 1 27 27 ALA CA C 13 54.976 0.4 . 1 . . . . 27 ALA CA . 6727 1 231 . 1 1 27 27 ALA CB C 13 19.757 0.4 . 1 . . . . 27 ALA CB . 6727 1 232 . 1 1 27 27 ALA N N 15 120.106 0.4 . 1 . . . . 27 ALA N . 6727 1 233 . 1 1 28 28 VAL H H 1 8.404 0.04 . 1 . . . . 28 VAL H . 6727 1 234 . 1 1 28 28 VAL HA H 1 3.099 0.04 . 1 . . . . 28 VAL HA . 6727 1 235 . 1 1 28 28 VAL HB H 1 1.484 0.04 . 1 . . . . 28 VAL HB . 6727 1 236 . 1 1 28 28 VAL HG11 H 1 0.322 0.04 . 2 . . . . 28 VAL HG1 . 6727 1 237 . 1 1 28 28 VAL HG12 H 1 0.322 0.04 . 2 . . . . 28 VAL HG1 . 6727 1 238 . 1 1 28 28 VAL HG13 H 1 0.322 0.04 . 2 . . . . 28 VAL HG1 . 6727 1 239 . 1 1 28 28 VAL HG21 H 1 -0.465 0.04 . 2 . . . . 28 VAL HG2 . 6727 1 240 . 1 1 28 28 VAL HG22 H 1 -0.465 0.04 . 2 . . . . 28 VAL HG2 . 6727 1 241 . 1 1 28 28 VAL HG23 H 1 -0.465 0.04 . 2 . . . . 28 VAL HG2 . 6727 1 242 . 1 1 28 28 VAL C C 13 179.478 0.4 . 1 . . . . 28 VAL C . 6727 1 243 . 1 1 28 28 VAL CA C 13 65.69 0.4 . 1 . . . . 28 VAL CA . 6727 1 244 . 1 1 28 28 VAL CB C 13 30.913 0.4 . 1 . . . . 28 VAL CB . 6727 1 245 . 1 1 28 28 VAL CG1 C 13 22.95 0.4 . 2 . . . . 28 VAL CG1 . 6727 1 246 . 1 1 28 28 VAL CG2 C 13 20.424 0.4 . 2 . . . . 28 VAL CG2 . 6727 1 247 . 1 1 28 28 VAL N N 15 120.106 0.4 . 1 . . . . 28 VAL N . 6727 1 248 . 1 1 29 29 GLU H H 1 9.05 0.04 . 1 . . . . 29 GLU H . 6727 1 249 . 1 1 29 29 GLU HA H 1 3.879 0.04 . 1 . . . . 29 GLU HA . 6727 1 250 . 1 1 29 29 GLU HB2 H 1 2.548 0.04 . 2 . . . . 29 GLU HB2 . 6727 1 251 . 1 1 29 29 GLU HB3 H 1 1.892 0.04 . 2 . . . . 29 GLU HB3 . 6727 1 252 . 1 1 29 29 GLU HG2 H 1 2.653 0.04 . 2 . . . . 29 GLU HG2 . 6727 1 253 . 1 1 29 29 GLU HG3 H 1 2.342 0.04 . 2 . . . . 29 GLU HG3 . 6727 1 254 . 1 1 29 29 GLU C C 13 178.679 0.4 . 1 . . . . 29 GLU C . 6727 1 255 . 1 1 29 29 GLU CA C 13 60.85 0.4 . 1 . . . . 29 GLU CA . 6727 1 256 . 1 1 29 29 GLU CB C 13 29.364 0.4 . 1 . . . . 29 GLU CB . 6727 1 257 . 1 1 29 29 GLU CG C 13 37.292 0.4 . 1 . . . . 29 GLU CG . 6727 1 258 . 1 1 29 29 GLU N N 15 120.106 0.4 . 1 . . . . 29 GLU N . 6727 1 259 . 1 1 30 30 LYS H H 1 7.152 0.04 . 1 . . . . 30 LYS H . 6727 1 260 . 1 1 30 30 LYS HA H 1 4.329 0.04 . 1 . . . . 30 LYS HA . 6727 1 261 . 1 1 30 30 LYS HB2 H 1 1.865 0.04 . 2 . . . . 30 LYS HB2 . 6727 1 262 . 1 1 30 30 LYS HB3 H 1 1.865 0.04 . 2 . . . . 30 LYS HB3 . 6727 1 263 . 1 1 30 30 LYS HG2 H 1 1.573 0.04 . 2 . . . . 30 LYS HG2 . 6727 1 264 . 1 1 30 30 LYS HG3 H 1 1.385 0.04 . 2 . . . . 30 LYS HG3 . 6727 1 265 . 1 1 30 30 LYS HD2 H 1 1.639 0.04 . 1 . . . . 30 LYS HD2 . 6727 1 266 . 1 1 30 30 LYS HD3 H 1 1.639 0.04 . 1 . . . . 30 LYS HD3 . 6727 1 267 . 1 1 30 30 LYS HE2 H 1 2.936 0.04 . 1 . . . . 30 LYS HE2 . 6727 1 268 . 1 1 30 30 LYS HE3 H 1 2.936 0.04 . 1 . . . . 30 LYS HE3 . 6727 1 269 . 1 1 30 30 LYS C C 13 177.912 0.4 . 1 . . . . 30 LYS C . 6727 1 270 . 1 1 30 30 LYS CA C 13 58.455 0.4 . 1 . . . . 30 LYS CA . 6727 1 271 . 1 1 30 30 LYS CB C 13 33.757 0.4 . 1 . . . . 30 LYS CB . 6727 1 272 . 1 1 30 30 LYS CG C 13 24.817 0.4 . 1 . . . . 30 LYS CG . 6727 1 273 . 1 1 30 30 LYS CD C 13 28.899 0.4 . 1 . . . . 30 LYS CD . 6727 1 274 . 1 1 30 30 LYS CE C 13 42.018 0.4 . 1 . . . . 30 LYS CE . 6727 1 275 . 1 1 30 30 LYS N N 15 114.393 0.4 . 1 . . . . 30 LYS N . 6727 1 276 . 1 1 31 31 LEU H H 1 8.511 0.04 . 1 . . . . 31 LEU H . 6727 1 277 . 1 1 31 31 LEU HA H 1 4.062 0.04 . 1 . . . . 31 LEU HA . 6727 1 278 . 1 1 31 31 LEU HB2 H 1 1.377 0.04 . 2 . . . . 31 LEU HB2 . 6727 1 279 . 1 1 31 31 LEU HB3 H 1 0.836 0.04 . 2 . . . . 31 LEU HB3 . 6727 1 280 . 1 1 31 31 LEU HD11 H 1 0.744 0.04 . 2 . . . . 31 LEU HD1 . 6727 1 281 . 1 1 31 31 LEU HD12 H 1 0.744 0.04 . 2 . . . . 31 LEU HD1 . 6727 1 282 . 1 1 31 31 LEU HD13 H 1 0.744 0.04 . 2 . . . . 31 LEU HD1 . 6727 1 283 . 1 1 31 31 LEU HD21 H 1 0.622 0.04 . 2 . . . . 31 LEU HD2 . 6727 1 284 . 1 1 31 31 LEU HD22 H 1 0.622 0.04 . 2 . . . . 31 LEU HD2 . 6727 1 285 . 1 1 31 31 LEU HD23 H 1 0.622 0.04 . 2 . . . . 31 LEU HD2 . 6727 1 286 . 1 1 31 31 LEU C C 13 177.244 0.4 . 1 . . . . 31 LEU C . 6727 1 287 . 1 1 31 31 LEU CA C 13 55.238 0.4 . 1 . . . . 31 LEU CA . 6727 1 288 . 1 1 31 31 LEU CB C 13 43.913 0.4 . 1 . . . . 31 LEU CB . 6727 1 289 . 1 1 31 31 LEU CD1 C 13 16.92 0.4 . 2 . . . . 31 LEU CD1 . 6727 1 290 . 1 1 31 31 LEU CD2 C 13 12.946 0.4 . 2 . . . . 31 LEU CD2 . 6727 1 291 . 1 1 31 31 LEU N N 15 116.678 0.4 . 1 . . . . 31 LEU N . 6727 1 292 . 1 1 32 32 GLY H H 1 8.343 0.04 . 1 . . . . 32 GLY H . 6727 1 293 . 1 1 32 32 GLY HA2 H 1 1.276 0.04 . 2 . . . . 32 GLY HA2 . 6727 1 294 . 1 1 32 32 GLY HA3 H 1 2.184 0.04 . 2 . . . . 32 GLY HA3 . 6727 1 295 . 1 1 32 32 GLY C C 13 173.304 0.4 . 1 . . . . 32 GLY C . 6727 1 296 . 1 1 32 32 GLY CA C 13 41.056 0.4 . 1 . . . . 32 GLY CA . 6727 1 297 . 1 1 32 32 GLY N N 15 110.394 0.4 . 1 . . . . 32 GLY N . 6727 1 298 . 1 1 33 33 THR H H 1 6.343 0.04 . 1 . . . . 33 THR H . 6727 1 299 . 1 1 33 33 THR HA H 1 4.676 0.04 . 1 . . . . 33 THR HA . 6727 1 300 . 1 1 33 33 THR HB H 1 3.197 0.04 . 1 . . . . 33 THR HB . 6727 1 301 . 1 1 33 33 THR HG21 H 1 0.826 0.04 . 1 . . . . 33 THR HG2 . 6727 1 302 . 1 1 33 33 THR HG22 H 1 0.826 0.04 . 1 . . . . 33 THR HG2 . 6727 1 303 . 1 1 33 33 THR HG23 H 1 0.826 0.04 . 1 . . . . 33 THR HG2 . 6727 1 304 . 1 1 33 33 THR C C 13 173.797 0.4 . 1 . . . . 33 THR C . 6727 1 305 . 1 1 33 33 THR CA C 13 60.617 0.4 . 1 . . . . 33 THR CA . 6727 1 306 . 1 1 33 33 THR CB C 13 68.344 0.4 . 1 . . . . 33 THR CB . 6727 1 307 . 1 1 33 33 THR CG2 C 13 21.93 0.4 . 1 . . . . 33 THR CG2 . 6727 1 308 . 1 1 33 33 THR N N 15 102.396 0.4 . 1 . . . . 33 THR N . 6727 1 309 . 1 1 34 34 GLY H H 1 7.767 0.04 . 1 . . . . 34 GLY H . 6727 1 310 . 1 1 34 34 GLY HA2 H 1 4.367 0.04 . 2 . . . . 34 GLY HA2 . 6727 1 311 . 1 1 34 34 GLY HA3 H 1 3.427 0.04 . 2 . . . . 34 GLY HA3 . 6727 1 312 . 1 1 34 34 GLY C C 13 174.705 0.4 . 1 . . . . 34 GLY C . 6727 1 313 . 1 1 34 34 GLY CA C 13 45.07 0.4 . 1 . . . . 34 GLY CA . 6727 1 314 . 1 1 34 34 GLY N N 15 108.68 0.4 . 1 . . . . 34 GLY N . 6727 1 315 . 1 1 35 35 ARG H H 1 8.012 0.04 . 1 . . . . 35 ARG H . 6727 1 316 . 1 1 35 35 ARG HA H 1 4.587 0.04 . 1 . . . . 35 ARG HA . 6727 1 317 . 1 1 35 35 ARG HB2 H 1 1.952 0.04 . 2 . . . . 35 ARG HB2 . 6727 1 318 . 1 1 35 35 ARG HB3 H 1 0.888 0.04 . 2 . . . . 35 ARG HB3 . 6727 1 319 . 1 1 35 35 ARG HG2 H 1 2.985 0.04 . 1 . . . . 35 ARG HD2 . 6727 1 320 . 1 1 35 35 ARG HG3 H 1 2.985 0.04 . 1 . . . . 35 ARG HD3 . 6727 1 321 . 1 1 35 35 ARG C C 13 176.47 0.4 . 1 . . . . 35 ARG C . 6727 1 322 . 1 1 35 35 ARG CA C 13 58.557 0.4 . 1 . . . . 35 ARG CA . 6727 1 323 . 1 1 35 35 ARG CB C 13 30.737 0.4 . 1 . . . . 35 ARG CB . 6727 1 324 . 1 1 35 35 ARG CG C 13 27.762 0.4 . 1 . . . . 35 ARG CG . 6727 1 325 . 1 1 35 35 ARG N N 15 122.963 0.4 . 1 . . . . 35 ARG N . 6727 1 326 . 1 1 36 36 TRP H H 1 7.228 0.04 . 1 . . . . 36 TRP H . 6727 1 327 . 1 1 36 36 TRP HA H 1 4.013 0.04 . 1 . . . . 36 TRP HA . 6727 1 328 . 1 1 36 36 TRP HB2 H 1 3.106 0.04 . 2 . . . . 36 TRP HB2 . 6727 1 329 . 1 1 36 36 TRP HB3 H 1 3.018 0.04 . 2 . . . . 36 TRP HB3 . 6727 1 330 . 1 1 36 36 TRP HD1 H 1 7.557 0.04 . 1 . . . . 36 TRP HD1 . 6727 1 331 . 1 1 36 36 TRP HE1 H 1 10.188 0.04 . 1 . . . . 36 TRP HE1 . 6727 1 332 . 1 1 36 36 TRP C C 13 178.462 0.4 . 1 . . . . 36 TRP C . 6727 1 333 . 1 1 36 36 TRP CA C 13 60.057 0.4 . 1 . . . . 36 TRP CA . 6727 1 334 . 1 1 36 36 TRP CB C 13 28.815 0.4 . 1 . . . . 36 TRP CB . 6727 1 335 . 1 1 36 36 TRP CD1 C 13 127.626 0.4 . 1 . . . . 36 TRP CD1 . 6727 1 336 . 1 1 36 36 TRP N N 15 120.677 0.4 . 1 . . . . 36 TRP N . 6727 1 337 . 1 1 36 36 TRP NE1 N 15 131.486 0.4 . 1 . . . . 36 TRP NE1 . 6727 1 338 . 1 1 37 37 ARG H H 1 8.661 0.04 . 1 . . . . 37 ARG H . 6727 1 339 . 1 1 37 37 ARG HA H 1 3.883 0.04 . 1 . . . . 37 ARG HA . 6727 1 340 . 1 1 37 37 ARG HB2 H 1 1.603 0.04 . 2 . . . . 37 ARG HB2 . 6727 1 341 . 1 1 37 37 ARG HB3 H 1 1.478 0.04 . 2 . . . . 37 ARG HB3 . 6727 1 342 . 1 1 37 37 ARG HG2 H 1 1.232 0.04 . 2 . . . . 37 ARG HG2 . 6727 1 343 . 1 1 37 37 ARG HG3 H 1 1.008 0.04 . 2 . . . . 37 ARG HG3 . 6727 1 344 . 1 1 37 37 ARG HD2 H 1 3.846 0.04 . 1 . . . . 37 ARG HD2 . 6727 1 345 . 1 1 37 37 ARG HD3 H 1 3.846 0.04 . 1 . . . . 37 ARG HD3 . 6727 1 346 . 1 1 37 37 ARG C C 13 178.62 0.4 . 1 . . . . 37 ARG C . 6727 1 347 . 1 1 37 37 ARG CA C 13 60.051 0.4 . 1 . . . . 37 ARG CA . 6727 1 348 . 1 1 37 37 ARG CB C 13 28.725 0.4 . 1 . . . . 37 ARG CB . 6727 1 349 . 1 1 37 37 ARG CG C 13 27.893 0.4 . 1 . . . . 37 ARG CG . 6727 1 350 . 1 1 37 37 ARG N N 15 118.392 0.4 . 1 . . . . 37 ARG N . 6727 1 351 . 1 1 38 38 ASP H H 1 7.418 0.04 . 1 . . . . 38 ASP H . 6727 1 352 . 1 1 38 38 ASP HA H 1 4.419 0.04 . 1 . . . . 38 ASP HA . 6727 1 353 . 1 1 38 38 ASP HB2 H 1 2.633 0.04 . 1 . . . . 38 ASP HB2 . 6727 1 354 . 1 1 38 38 ASP HB3 H 1 2.633 0.04 . 1 . . . . 38 ASP HB3 . 6727 1 355 . 1 1 38 38 ASP C C 13 178.776 0.4 . 1 . . . . 38 ASP C . 6727 1 356 . 1 1 38 38 ASP CA C 13 57.12 0.4 . 1 . . . . 38 ASP CA . 6727 1 357 . 1 1 38 38 ASP CB C 13 40.259 0.4 . 1 . . . . 38 ASP CB . 6727 1 358 . 1 1 38 38 ASP N N 15 120.106 0.4 . 1 . . . . 38 ASP N . 6727 1 359 . 1 1 39 39 VAL H H 1 8.045 0.04 . 1 . . . . 39 VAL H . 6727 1 360 . 1 1 39 39 VAL HA H 1 3.398 0.04 . 1 . . . . 39 VAL HA . 6727 1 361 . 1 1 39 39 VAL HB H 1 2.26 0.04 . 1 . . . . 39 VAL HB . 6727 1 362 . 1 1 39 39 VAL HG11 H 1 1.068 0.04 . 2 . . . . 39 VAL HG1 . 6727 1 363 . 1 1 39 39 VAL HG12 H 1 1.068 0.04 . 2 . . . . 39 VAL HG1 . 6727 1 364 . 1 1 39 39 VAL HG13 H 1 1.068 0.04 . 2 . . . . 39 VAL HG1 . 6727 1 365 . 1 1 39 39 VAL HG21 H 1 0.518 0.04 . 2 . . . . 39 VAL HG2 . 6727 1 366 . 1 1 39 39 VAL HG22 H 1 0.518 0.04 . 2 . . . . 39 VAL HG2 . 6727 1 367 . 1 1 39 39 VAL HG23 H 1 0.518 0.04 . 2 . . . . 39 VAL HG2 . 6727 1 368 . 1 1 39 39 VAL C C 13 177.476 0.4 . 1 . . . . 39 VAL C . 6727 1 369 . 1 1 39 39 VAL CA C 13 67.016 0.4 . 1 . . . . 39 VAL CA . 6727 1 370 . 1 1 39 39 VAL CB C 13 30.912 0.4 . 1 . . . . 39 VAL CB . 6727 1 371 . 1 1 39 39 VAL CG1 C 13 21.333 0.4 . 2 . . . . 39 VAL CG1 . 6727 1 372 . 1 1 39 39 VAL CG2 C 13 23.025 0.4 . 2 . . . . 39 VAL CG2 . 6727 1 373 . 1 1 39 39 VAL N N 15 122.963 0.4 . 1 . . . . 39 VAL N . 6727 1 374 . 1 1 40 40 LYS H H 1 8.108 0.04 . 1 . . . . 40 LYS H . 6727 1 375 . 1 1 40 40 LYS HA H 1 4.054 0.04 . 1 . . . . 40 LYS HA . 6727 1 376 . 1 1 40 40 LYS HB2 H 1 2.42 0.04 . 2 . . . . 40 LYS HB2 . 6727 1 377 . 1 1 40 40 LYS HB3 H 1 1.717 0.04 . 2 . . . . 40 LYS HB3 . 6727 1 378 . 1 1 40 40 LYS HG2 H 1 1.356 0.04 . 1 . . . . 40 LYS HG2 . 6727 1 379 . 1 1 40 40 LYS HG3 H 1 1.356 0.04 . 1 . . . . 40 LYS HG3 . 6727 1 380 . 1 1 40 40 LYS HD2 H 1 1.711 0.04 . 1 . . . . 40 LYS HD2 . 6727 1 381 . 1 1 40 40 LYS HD3 H 1 1.711 0.04 . 1 . . . . 40 LYS HD3 . 6727 1 382 . 1 1 40 40 LYS C C 13 177.639 0.4 . 1 . . . . 40 LYS C . 6727 1 383 . 1 1 40 40 LYS CA C 13 59.793 0.4 . 1 . . . . 40 LYS CA . 6727 1 384 . 1 1 40 40 LYS CB C 13 43.54 0.4 . 1 . . . . 40 LYS CB . 6727 1 385 . 1 1 40 40 LYS CG C 13 25.414 0.4 . 1 . . . . 40 LYS CG . 6727 1 386 . 1 1 40 40 LYS CD C 13 38.458 0.4 . 1 . . . . 40 LYS CD . 6727 1 387 . 1 1 40 40 LYS N N 15 120.106 0.4 . 1 . . . . 40 LYS N . 6727 1 388 . 1 1 41 41 LEU H H 1 7.674 0.04 . 1 . . . . 41 LEU H . 6727 1 389 . 1 1 41 41 LEU HA H 1 4.035 0.04 . 1 . . . . 41 LEU HA . 6727 1 390 . 1 1 41 41 LEU HB2 H 1 1.672 0.04 . 1 . . . . 41 LEU HB2 . 6727 1 391 . 1 1 41 41 LEU HB3 H 1 1.672 0.04 . 1 . . . . 41 LEU HB3 . 6727 1 392 . 1 1 41 41 LEU HG H 1 1.693 0.04 . 1 . . . . 41 LEU HG . 6727 1 393 . 1 1 41 41 LEU C C 13 177.71 0.4 . 1 . . . . 41 LEU C . 6727 1 394 . 1 1 41 41 LEU CA C 13 57.639 0.4 . 1 . . . . 41 LEU CA . 6727 1 395 . 1 1 41 41 LEU CB C 13 42.266 0.4 . 1 . . . . 41 LEU CB . 6727 1 396 . 1 1 41 41 LEU CG C 13 26.808 0.4 . 1 . . . . 41 LEU CG . 6727 1 397 . 1 1 41 41 LEU N N 15 117.821 0.4 . 1 . . . . 41 LEU N . 6727 1 398 . 1 1 42 42 CYS H H 1 8.122 0.04 . 1 . . . . 42 CYS H . 6727 1 399 . 1 1 42 42 CYS HA H 1 4.267 0.04 . 1 . . . . 42 CYS HA . 6727 1 400 . 1 1 42 42 CYS HB2 H 1 2.99 0.04 . 2 . . . . 42 CYS HB2 . 6727 1 401 . 1 1 42 42 CYS HB3 H 1 2.894 0.04 . 2 . . . . 42 CYS HB3 . 6727 1 402 . 1 1 42 42 CYS C C 13 176.148 0.4 . 1 . . . . 42 CYS C . 6727 1 403 . 1 1 42 42 CYS CA C 13 61.011 0.4 . 1 . . . . 42 CYS CA . 6727 1 404 . 1 1 42 42 CYS CB C 13 27.443 0.4 . 1 . . . . 42 CYS CB . 6727 1 405 . 1 1 42 42 CYS N N 15 114.393 0.4 . 1 . . . . 42 CYS N . 6727 1 406 . 1 1 43 43 ALA H H 1 7.829 0.04 . 1 . . . . 43 ALA H . 6727 1 407 . 1 1 43 43 ALA HA H 1 4.661 0.04 . 1 . . . . 43 ALA HA . 6727 1 408 . 1 1 43 43 ALA HB1 H 1 1.202 0.04 . 1 . . . . 43 ALA HB . 6727 1 409 . 1 1 43 43 ALA HB2 H 1 1.202 0.04 . 1 . . . . 43 ALA HB . 6727 1 410 . 1 1 43 43 ALA HB3 H 1 1.202 0.04 . 1 . . . . 43 ALA HB . 6727 1 411 . 1 1 43 43 ALA C C 13 176.424 0.4 . 1 . . . . 43 ALA C . 6727 1 412 . 1 1 43 43 ALA CA C 13 58.038 0.4 . 1 . . . . 43 ALA CA . 6727 1 413 . 1 1 43 43 ALA CB C 13 26.6 0.4 . 1 . . . . 43 ALA CB . 6727 1 414 . 1 1 43 43 ALA N N 15 118.392 0.4 . 1 . . . . 43 ALA N . 6727 1 415 . 1 1 44 44 PHE H H 1 8.205 0.04 . 1 . . . . 44 PHE H . 6727 1 416 . 1 1 44 44 PHE HA H 1 4.896 0.04 . 1 . . . . 44 PHE HA . 6727 1 417 . 1 1 44 44 PHE HB2 H 1 3.593 0.04 . 2 . . . . 44 PHE HB2 . 6727 1 418 . 1 1 44 44 PHE HB3 H 1 2.816 0.04 . 2 . . . . 44 PHE HB3 . 6727 1 419 . 1 1 44 44 PHE HD1 H 1 7.172 0.04 . 1 . . . . 44 PHE HD1 . 6727 1 420 . 1 1 44 44 PHE HD2 H 1 7.172 0.04 . 1 . . . . 44 PHE HD2 . 6727 1 421 . 1 1 44 44 PHE HE1 H 1 7.15 0.04 . 1 . . . . 44 PHE HE1 . 6727 1 422 . 1 1 44 44 PHE HE2 H 1 7.15 0.04 . 1 . . . . 44 PHE HE2 . 6727 1 423 . 1 1 44 44 PHE C C 13 177.273 0.4 . 1 . . . . 44 PHE C . 6727 1 424 . 1 1 44 44 PHE CA C 13 56.577 0.4 . 1 . . . . 44 PHE CA . 6727 1 425 . 1 1 44 44 PHE CB C 13 40.894 0.4 . 1 . . . . 44 PHE CB . 6727 1 426 . 1 1 44 44 PHE N N 15 116.678 0.4 . 1 . . . . 44 PHE N . 6727 1 427 . 1 1 45 45 GLU H H 1 8.675 0.04 . 1 . . . . 45 GLU H . 6727 1 428 . 1 1 45 45 GLU HA H 1 3.822 0.04 . 1 . . . . 45 GLU HA . 6727 1 429 . 1 1 45 45 GLU HB2 H 1 2.432 0.04 . 2 . . . . 45 GLU HB2 . 6727 1 430 . 1 1 45 45 GLU HB3 H 1 1.935 0.04 . 2 . . . . 45 GLU HB3 . 6727 1 431 . 1 1 45 45 GLU HG2 H 1 2.239 0.04 . 2 . . . . 45 GLU HG2 . 6727 1 432 . 1 1 45 45 GLU HG3 H 1 2.18 0.04 . 2 . . . . 45 GLU HG3 . 6727 1 433 . 1 1 45 45 GLU C C 13 177.377 0.4 . 1 . . . . 45 GLU C . 6727 1 434 . 1 1 45 45 GLU CA C 13 60.746 0.4 . 1 . . . . 45 GLU CA . 6727 1 435 . 1 1 45 45 GLU CB C 13 29.09 0.4 . 1 . . . . 45 GLU CB . 6727 1 436 . 1 1 45 45 GLU CG C 13 35.537 0.4 . 1 . . . . 45 GLU CG . 6727 1 437 . 1 1 45 45 GLU N N 15 125.819 0.4 . 1 . . . . 45 GLU N . 6727 1 438 . 1 1 46 46 ASP H H 1 8.472 0.04 . 1 . . . . 46 ASP H . 6727 1 439 . 1 1 46 46 ASP HA H 1 4.686 0.04 . 1 . . . . 46 ASP HA . 6727 1 440 . 1 1 46 46 ASP HB2 H 1 2.674 0.04 . 2 . . . . 46 ASP HB2 . 6727 1 441 . 1 1 46 46 ASP HB3 H 1 2.643 0.04 . 2 . . . . 46 ASP HB3 . 6727 1 442 . 1 1 46 46 ASP C C 13 175.017 0.4 . 1 . . . . 46 ASP C . 6727 1 443 . 1 1 46 46 ASP CA C 13 53.37 0.4 . 1 . . . . 46 ASP CA . 6727 1 444 . 1 1 46 46 ASP CB C 13 40.345 0.4 . 1 . . . . 46 ASP CB . 6727 1 445 . 1 1 46 46 ASP N N 15 114.965 0.4 . 1 . . . . 46 ASP N . 6727 1 446 . 1 1 47 47 ALA H H 1 7.148 0.04 . 1 . . . . 47 ALA H . 6727 1 447 . 1 1 47 47 ALA HA H 1 4.714 0.04 . 1 . . . . 47 ALA HA . 6727 1 448 . 1 1 47 47 ALA HB1 H 1 1.262 0.04 . 1 . . . . 47 ALA HB . 6727 1 449 . 1 1 47 47 ALA HB2 H 1 1.262 0.04 . 1 . . . . 47 ALA HB . 6727 1 450 . 1 1 47 47 ALA HB3 H 1 1.262 0.04 . 1 . . . . 47 ALA HB . 6727 1 451 . 1 1 47 47 ALA C C 13 176.555 0.4 . 1 . . . . 47 ALA C . 6727 1 452 . 1 1 47 47 ALA CA C 13 49.877 0.4 . 1 . . . . 47 ALA CA . 6727 1 453 . 1 1 47 47 ALA CB C 13 18.11 0.4 . 1 . . . . 47 ALA CB . 6727 1 454 . 1 1 47 47 ALA N N 15 123.534 0.4 . 1 . . . . 47 ALA N . 6727 1 455 . 1 1 48 48 ASP H H 1 8.578 0.04 . 1 . . . . 48 ASP H . 6727 1 456 . 1 1 48 48 ASP HA H 1 4.285 0.04 . 1 . . . . 48 ASP HA . 6727 1 457 . 1 1 48 48 ASP HB2 H 1 2.652 0.04 . 2 . . . . 48 ASP HB2 . 6727 1 458 . 1 1 48 48 ASP HB3 H 1 2.653 0.04 . 2 . . . . 48 ASP HB3 . 6727 1 459 . 1 1 48 48 ASP C C 13 176.598 0.4 . 1 . . . . 48 ASP C . 6727 1 460 . 1 1 48 48 ASP CA C 13 56.864 0.4 . 1 . . . . 48 ASP CA . 6727 1 461 . 1 1 48 48 ASP CB C 13 40.345 0.4 . 1 . . . . 48 ASP CB . 6727 1 462 . 1 1 48 48 ASP N N 15 124.676 0.4 . 1 . . . . 48 ASP N . 6727 1 463 . 1 1 49 49 HIS H H 1 8.656 0.04 . 1 . . . . 49 HIS H . 6727 1 464 . 1 1 49 49 HIS HA H 1 4.438 0.04 . 1 . . . . 49 HIS HA . 6727 1 465 . 1 1 49 49 HIS HB2 H 1 3.24 0.04 . 2 . . . . 49 HIS HB2 . 6727 1 466 . 1 1 49 49 HIS HB3 H 1 2.896 0.04 . 2 . . . . 49 HIS HB3 . 6727 1 467 . 1 1 49 49 HIS C C 13 174.267 0.4 . 1 . . . . 49 HIS C . 6727 1 468 . 1 1 49 49 HIS CA C 13 59.309 0.4 . 1 . . . . 49 HIS CA . 6727 1 469 . 1 1 49 49 HIS CB C 13 29.819 0.4 . 1 . . . . 49 HIS CB . 6727 1 470 . 1 1 49 49 HIS N N 15 113.822 0.4 . 1 . . . . 49 HIS N . 6727 1 471 . 1 1 50 50 ARG H H 1 7.269 0.04 . 1 . . . . 50 ARG H . 6727 1 472 . 1 1 50 50 ARG HA H 1 4.647 0.04 . 1 . . . . 50 ARG HA . 6727 1 473 . 1 1 50 50 ARG HB2 H 1 1.823 0.04 . 2 . . . . 50 ARG HB2 . 6727 1 474 . 1 1 50 50 ARG HB3 H 1 1.854 0.04 . 2 . . . . 50 ARG HB3 . 6727 1 475 . 1 1 50 50 ARG HG2 H 1 1.842 0.04 . 1 . . . . 50 ARG HG2 . 6727 1 476 . 1 1 50 50 ARG HG3 H 1 1.842 0.04 . 1 . . . . 50 ARG HG3 . 6727 1 477 . 1 1 50 50 ARG C C 13 174.765 0.4 . 1 . . . . 50 ARG C . 6727 1 478 . 1 1 50 50 ARG CA C 13 52.289 0.4 . 1 . . . . 50 ARG CA . 6727 1 479 . 1 1 50 50 ARG CB C 13 29.322 0.4 . 1 . . . . 50 ARG CB . 6727 1 480 . 1 1 50 50 ARG CG C 13 25.215 0.4 . 1 . . . . 50 ARG CG . 6727 1 481 . 1 1 50 50 ARG N N 15 119.535 0.4 . 1 . . . . 50 ARG N . 6727 1 482 . 1 1 51 51 THR H H 1 8.856 0.04 . 1 . . . . 51 THR H . 6727 1 483 . 1 1 51 51 THR HA H 1 4.673 0.04 . 1 . . . . 51 THR HA . 6727 1 484 . 1 1 51 51 THR HB H 1 4.462 0.04 . 1 . . . . 51 THR HB . 6727 1 485 . 1 1 51 51 THR HG21 H 1 1.206 0.04 . 1 . . . . 51 THR HG2 . 6727 1 486 . 1 1 51 51 THR HG22 H 1 1.206 0.04 . 1 . . . . 51 THR HG2 . 6727 1 487 . 1 1 51 51 THR HG23 H 1 1.206 0.04 . 1 . . . . 51 THR HG2 . 6727 1 488 . 1 1 51 51 THR C C 13 176.266 0.4 . 1 . . . . 51 THR C . 6727 1 489 . 1 1 51 51 THR CA C 13 60.326 0.4 . 1 . . . . 51 THR CA . 6727 1 490 . 1 1 51 51 THR CB C 13 72.012 0.4 . 1 . . . . 51 THR CB . 6727 1 491 . 1 1 51 51 THR CG2 C 13 21.033 0.4 . 1 . . . . 51 THR CG2 . 6727 1 492 . 1 1 51 51 THR N N 15 114.965 0.4 . 1 . . . . 51 THR N . 6727 1 493 . 1 1 52 52 TYR H H 1 8.957 0.04 . 1 . . . . 52 TYR H . 6727 1 494 . 1 1 52 52 TYR HA H 1 4.205 0.04 . 1 . . . . 52 TYR HA . 6727 1 495 . 1 1 52 52 TYR HB2 H 1 3.025 0.04 . 2 . . . . 52 TYR HB2 . 6727 1 496 . 1 1 52 52 TYR HB3 H 1 2.871 0.04 . 2 . . . . 52 TYR HB3 . 6727 1 497 . 1 1 52 52 TYR HD1 H 1 7.168 0.04 . 1 . . . . 52 TYR HD1 . 6727 1 498 . 1 1 52 52 TYR HD2 H 1 7.168 0.04 . 1 . . . . 52 TYR HD2 . 6727 1 499 . 1 1 52 52 TYR HE1 H 1 6.914 0.04 . 1 . . . . 52 TYR HE1 . 6727 1 500 . 1 1 52 52 TYR HE2 H 1 6.914 0.04 . 1 . . . . 52 TYR HE2 . 6727 1 501 . 1 1 52 52 TYR C C 13 176.097 0.4 . 1 . . . . 52 TYR C . 6727 1 502 . 1 1 52 52 TYR CA C 13 60.857 0.4 . 1 . . . . 52 TYR CA . 6727 1 503 . 1 1 52 52 TYR CB C 13 36.58 0.4 . 1 . . . . 52 TYR CB . 6727 1 504 . 1 1 52 52 TYR CD1 C 13 132.832 0.4 . 1 . . . . 52 TYR CD1 . 6727 1 505 . 1 1 52 52 TYR CD2 C 13 132.832 0.4 . 1 . . . . 52 TYR CD2 . 6727 1 506 . 1 1 52 52 TYR CE1 C 13 118.147 0.4 . 1 . . . . 52 TYR CE1 . 6727 1 507 . 1 1 52 52 TYR CE2 C 13 118.147 0.4 . 1 . . . . 52 TYR CE2 . 6727 1 508 . 1 1 52 52 TYR N N 15 117.821 0.4 . 1 . . . . 52 TYR N . 6727 1 509 . 1 1 53 53 VAL H H 1 6.385 0.04 . 1 . . . . 53 VAL H . 6727 1 510 . 1 1 53 53 VAL HA H 1 3.15 0.04 . 1 . . . . 53 VAL HA . 6727 1 511 . 1 1 53 53 VAL HB H 1 1.482 0.04 . 1 . . . . 53 VAL HB . 6727 1 512 . 1 1 53 53 VAL HG11 H 1 0.385 0.04 . 2 . . . . 53 VAL HG1 . 6727 1 513 . 1 1 53 53 VAL HG12 H 1 0.385 0.04 . 2 . . . . 53 VAL HG1 . 6727 1 514 . 1 1 53 53 VAL HG13 H 1 0.385 0.04 . 2 . . . . 53 VAL HG1 . 6727 1 515 . 1 1 53 53 VAL HG21 H 1 0.654 0.04 . 2 . . . . 53 VAL HG2 . 6727 1 516 . 1 1 53 53 VAL HG22 H 1 0.654 0.04 . 2 . . . . 53 VAL HG2 . 6727 1 517 . 1 1 53 53 VAL HG23 H 1 0.654 0.04 . 2 . . . . 53 VAL HG2 . 6727 1 518 . 1 1 53 53 VAL C C 13 176.842 0.4 . 1 . . . . 53 VAL C . 6727 1 519 . 1 1 53 53 VAL CA C 13 65.253 0.4 . 1 . . . . 53 VAL CA . 6727 1 520 . 1 1 53 53 VAL CB C 13 31.561 0.4 . 1 . . . . 53 VAL CB . 6727 1 521 . 1 1 53 53 VAL CG1 C 13 21.332 0.4 . 2 . . . . 53 VAL CG1 . 6727 1 522 . 1 1 53 53 VAL CG2 C 13 20.994 0.4 . 2 . . . . 53 VAL CG2 . 6727 1 523 . 1 1 53 53 VAL N N 15 120.106 0.4 . 1 . . . . 53 VAL N . 6727 1 524 . 1 1 54 54 ASP H H 1 7.316 0.04 . 1 . . . . 54 ASP H . 6727 1 525 . 1 1 54 54 ASP HA H 1 4.181 0.04 . 1 . . . . 54 ASP HA . 6727 1 526 . 1 1 54 54 ASP HB2 H 1 2.907 0.04 . 2 . . . . 54 ASP HB2 . 6727 1 527 . 1 1 54 54 ASP HB3 H 1 2.635 0.04 . 2 . . . . 54 ASP HB3 . 6727 1 528 . 1 1 54 54 ASP C C 13 179.573 0.4 . 1 . . . . 54 ASP C . 6727 1 529 . 1 1 54 54 ASP CA C 13 57.123 0.4 . 1 . . . . 54 ASP CA . 6727 1 530 . 1 1 54 54 ASP CB C 13 41.055 0.4 . 1 . . . . 54 ASP CB . 6727 1 531 . 1 1 54 54 ASP N N 15 120.106 0.4 . 1 . . . . 54 ASP N . 6727 1 532 . 1 1 55 55 LEU H H 1 7.572 0.04 . 1 . . . . 55 LEU H . 6727 1 533 . 1 1 55 55 LEU HA H 1 3.743 0.04 . 1 . . . . 55 LEU HA . 6727 1 534 . 1 1 55 55 LEU HB2 H 1 2.036 0.04 . 2 . . . . 55 LEU HB2 . 6727 1 535 . 1 1 55 55 LEU HB3 H 1 1.275 0.04 . 2 . . . . 55 LEU HB3 . 6727 1 536 . 1 1 55 55 LEU HD11 H 1 0.696 0.04 . 2 . . . . 55 LEU HD1 . 6727 1 537 . 1 1 55 55 LEU HD12 H 1 0.696 0.04 . 2 . . . . 55 LEU HD1 . 6727 1 538 . 1 1 55 55 LEU HD13 H 1 0.696 0.04 . 2 . . . . 55 LEU HD1 . 6727 1 539 . 1 1 55 55 LEU HD21 H 1 0.696 0.04 . 2 . . . . 55 LEU HD2 . 6727 1 540 . 1 1 55 55 LEU HD22 H 1 0.696 0.04 . 2 . . . . 55 LEU HD2 . 6727 1 541 . 1 1 55 55 LEU HD23 H 1 0.696 0.04 . 2 . . . . 55 LEU HD2 . 6727 1 542 . 1 1 55 55 LEU C C 13 175.981 0.4 . 1 . . . . 55 LEU C . 6727 1 543 . 1 1 55 55 LEU CA C 13 57.639 0.4 . 1 . . . . 55 LEU CA . 6727 1 544 . 1 1 55 55 LEU CB C 13 40.345 0.4 . 1 . . . . 55 LEU CB . 6727 1 545 . 1 1 55 55 LEU CD2 C 13 22.927 0.4 . 1 . . . . 55 LEU CD2 . 6727 1 546 . 1 1 55 55 LEU N N 15 118.392 0.4 . 1 . . . . 55 LEU N . 6727 1 547 . 1 1 56 56 LYS H H 1 7.018 0.04 . 1 . . . . 56 LYS H . 6727 1 548 . 1 1 56 56 LYS HA H 1 1.834 0.04 . 1 . . . . 56 LYS HA . 6727 1 549 . 1 1 56 56 LYS HB2 H 1 0.33 0.04 . 2 . . . . 56 LYS HB2 . 6727 1 550 . 1 1 56 56 LYS HB3 H 1 1.206 0.04 . 2 . . . . 56 LYS HB3 . 6727 1 551 . 1 1 56 56 LYS HG2 H 1 0.865 0.04 . 2 . . . . 56 LYS HG2 . 6727 1 552 . 1 1 56 56 LYS HG3 H 1 0.749 0.04 . 2 . . . . 56 LYS HG3 . 6727 1 553 . 1 1 56 56 LYS HD2 H 1 1.443 0.04 . 2 . . . . 56 LYS HD2 . 6727 1 554 . 1 1 56 56 LYS HD3 H 1 1.509 0.04 . 2 . . . . 56 LYS HD3 . 6727 1 555 . 1 1 56 56 LYS HE2 H 1 2.914 0.04 . 1 . . . . 56 LYS HE2 . 6727 1 556 . 1 1 56 56 LYS HE3 H 1 2.914 0.04 . 1 . . . . 56 LYS HE3 . 6727 1 557 . 1 1 56 56 LYS C C 13 178.494 0.4 . 1 . . . . 56 LYS C . 6727 1 558 . 1 1 56 56 LYS CA C 13 58.952 0.4 . 1 . . . . 56 LYS CA . 6727 1 559 . 1 1 56 56 LYS CB C 13 31.011 0.4 . 1 . . . . 56 LYS CB . 6727 1 560 . 1 1 56 56 LYS CG C 13 23.921 0.4 . 1 . . . . 56 LYS CG . 6727 1 561 . 1 1 56 56 LYS CD C 13 29.496 0.4 . 1 . . . . 56 LYS CD . 6727 1 562 . 1 1 56 56 LYS CE C 13 41.855 0.4 . 1 . . . . 56 LYS CE . 6727 1 563 . 1 1 56 56 LYS N N 15 121.249 0.4 . 1 . . . . 56 LYS N . 6727 1 564 . 1 1 57 57 ASP H H 1 8.172 0.04 . 1 . . . . 57 ASP H . 6727 1 565 . 1 1 57 57 ASP HA H 1 4.201 0.04 . 1 . . . . 57 ASP HA . 6727 1 566 . 1 1 57 57 ASP HB2 H 1 2.534 0.04 . 2 . . . . 57 ASP HB2 . 6727 1 567 . 1 1 57 57 ASP HB3 H 1 2.45 0.04 . 2 . . . . 57 ASP HB3 . 6727 1 568 . 1 1 57 57 ASP C C 13 178.772 0.4 . 1 . . . . 57 ASP C . 6727 1 569 . 1 1 57 57 ASP CA C 13 57.049 0.4 . 1 . . . . 57 ASP CA . 6727 1 570 . 1 1 57 57 ASP CB C 13 40.345 0.4 . 1 . . . . 57 ASP CB . 6727 1 571 . 1 1 57 57 ASP N N 15 118.392 0.4 . 1 . . . . 57 ASP N . 6727 1 572 . 1 1 58 58 LYS H H 1 7.946 0.04 . 1 . . . . 58 LYS H . 6727 1 573 . 1 1 58 58 LYS HA H 1 3.944 0.04 . 1 . . . . 58 LYS HA . 6727 1 574 . 1 1 58 58 LYS HB2 H 1 1.511 0.04 . 2 . . . . 58 LYS HB2 . 6727 1 575 . 1 1 58 58 LYS HB3 H 1 1.258 0.04 . 2 . . . . 58 LYS HB3 . 6727 1 576 . 1 1 58 58 LYS HG2 H 1 1.577 0.04 . 1 . . . . 58 LYS HG2 . 6727 1 577 . 1 1 58 58 LYS HG3 H 1 1.577 0.04 . 1 . . . . 58 LYS HG3 . 6727 1 578 . 1 1 58 58 LYS HE2 H 1 2.762 0.04 . 2 . . . . 58 LYS HE2 . 6727 1 579 . 1 1 58 58 LYS HE3 H 1 2.696 0.04 . 2 . . . . 58 LYS HE3 . 6727 1 580 . 1 1 58 58 LYS C C 13 178.372 0.4 . 1 . . . . 58 LYS C . 6727 1 581 . 1 1 58 58 LYS CA C 13 56.574 0.4 . 1 . . . . 58 LYS CA . 6727 1 582 . 1 1 58 58 LYS CB C 13 29.562 0.4 . 1 . . . . 58 LYS CB . 6727 1 583 . 1 1 58 58 LYS CG C 13 25.232 0.4 . 1 . . . . 58 LYS CG . 6727 1 584 . 1 1 58 58 LYS CE C 13 41.692 0.4 . 1 . . . . 58 LYS CE . 6727 1 585 . 1 1 58 58 LYS N N 15 120.677 0.4 . 1 . . . . 58 LYS N . 6727 1 586 . 1 1 59 59 TRP H H 1 8.359 0.04 . 1 . . . . 59 TRP H . 6727 1 587 . 1 1 59 59 TRP HA H 1 4.131 0.04 . 1 . . . . 59 TRP HA . 6727 1 588 . 1 1 59 59 TRP HB2 H 1 3.268 0.04 . 2 . . . . 59 TRP HB2 . 6727 1 589 . 1 1 59 59 TRP HB3 H 1 3.244 0.04 . 2 . . . . 59 TRP HB3 . 6727 1 590 . 1 1 59 59 TRP HD1 H 1 7.439 0.04 . 1 . . . . 59 TRP HD1 . 6727 1 591 . 1 1 59 59 TRP HE1 H 1 11.437 0.04 . 1 . . . . 59 TRP HE1 . 6727 1 592 . 1 1 59 59 TRP C C 13 176.366 0.4 . 1 . . . . 59 TRP C . 6727 1 593 . 1 1 59 59 TRP CA C 13 60.863 0.4 . 1 . . . . 59 TRP CA . 6727 1 594 . 1 1 59 59 TRP CB C 13 29.913 0.4 . 1 . . . . 59 TRP CB . 6727 1 595 . 1 1 59 59 TRP CD1 C 13 126.906 0.4 . 1 . . . . 59 TRP CD1 . 6727 1 596 . 1 1 59 59 TRP CZ2 C 13 113.457 0.4 . 1 . . . . 59 TRP CZ2 . 6727 1 597 . 1 1 59 59 TRP N N 15 120.677 0.4 . 1 . . . . 59 TRP N . 6727 1 598 . 1 1 59 59 TRP NE1 N 15 133.202 0.4 . 1 . . . . 59 TRP NE1 . 6727 1 599 . 1 1 60 60 LYS H H 1 7.804 0.04 . 1 . . . . 60 LYS H . 6727 1 600 . 1 1 60 60 LYS HA H 1 3.68 0.04 . 1 . . . . 60 LYS HA . 6727 1 601 . 1 1 60 60 LYS HB2 H 1 1.928 0.04 . 2 . . . . 60 LYS HB2 . 6727 1 602 . 1 1 60 60 LYS HB3 H 1 1.889 0.04 . 2 . . . . 60 LYS HB3 . 6727 1 603 . 1 1 60 60 LYS HG2 H 1 1.365 0.04 . 2 . . . . 60 LYS HG2 . 6727 1 604 . 1 1 60 60 LYS HG3 H 1 1.632 0.04 . 2 . . . . 60 LYS HG3 . 6727 1 605 . 1 1 60 60 LYS HE2 H 1 2.932 0.04 . 1 . . . . 60 LYS HE2 . 6727 1 606 . 1 1 60 60 LYS HE3 H 1 2.932 0.04 . 1 . . . . 60 LYS HE3 . 6727 1 607 . 1 1 60 60 LYS C C 13 179.989 0.4 . 1 . . . . 60 LYS C . 6727 1 608 . 1 1 60 60 LYS CA C 13 60.245 0.4 . 1 . . . . 60 LYS CA . 6727 1 609 . 1 1 60 60 LYS CB C 13 31.835 0.4 . 1 . . . . 60 LYS CB . 6727 1 610 . 1 1 60 60 LYS CG C 13 24.917 0.4 . 1 . . . . 60 LYS CG . 6727 1 611 . 1 1 60 60 LYS CE C 13 41.936 0.4 . 1 . . . . 60 LYS CE . 6727 1 612 . 1 1 60 60 LYS N N 15 115.536 0.4 . 1 . . . . 60 LYS N . 6727 1 613 . 1 1 61 61 THR H H 1 7.87 0.04 . 1 . . . . 61 THR H . 6727 1 614 . 1 1 61 61 THR HA H 1 4.074 0.04 . 1 . . . . 61 THR HA . 6727 1 615 . 1 1 61 61 THR HB H 1 4.245 0.04 . 1 . . . . 61 THR HB . 6727 1 616 . 1 1 61 61 THR HG21 H 1 1.18 0.04 . 1 . . . . 61 THR HG2 . 6727 1 617 . 1 1 61 61 THR HG22 H 1 1.18 0.04 . 1 . . . . 61 THR HG2 . 6727 1 618 . 1 1 61 61 THR HG23 H 1 1.18 0.04 . 1 . . . . 61 THR HG2 . 6727 1 619 . 1 1 61 61 THR C C 13 177.221 0.4 . 1 . . . . 61 THR C . 6727 1 620 . 1 1 61 61 THR CA C 13 65.95 0.4 . 1 . . . . 61 THR CA . 6727 1 621 . 1 1 61 61 THR CB C 13 68.619 0.4 . 1 . . . . 61 THR CB . 6727 1 622 . 1 1 61 61 THR CG2 C 13 21.73 0.4 . 1 . . . . 61 THR CG2 . 6727 1 623 . 1 1 61 61 THR N N 15 113.251 0.4 . 1 . . . . 61 THR N . 6727 1 624 . 1 1 62 62 LEU H H 1 8.402 0.04 . 1 . . . . 62 LEU H . 6727 1 625 . 1 1 62 62 LEU HA H 1 3.732 0.04 . 1 . . . . 62 LEU HA . 6727 1 626 . 1 1 62 62 LEU HB2 H 1 1.763 0.04 . 2 . . . . 62 LEU HB2 . 6727 1 627 . 1 1 62 62 LEU HB3 H 1 0.891 0.04 . 2 . . . . 62 LEU HB3 . 6727 1 628 . 1 1 62 62 LEU HG H 1 1.654 0.04 . 1 . . . . 62 LEU HG . 6727 1 629 . 1 1 62 62 LEU HD11 H 1 0.781 0.04 . 2 . . . . 62 LEU HD1 . 6727 1 630 . 1 1 62 62 LEU HD12 H 1 0.781 0.04 . 2 . . . . 62 LEU HD1 . 6727 1 631 . 1 1 62 62 LEU HD13 H 1 0.781 0.04 . 2 . . . . 62 LEU HD1 . 6727 1 632 . 1 1 62 62 LEU HD21 H 1 0.781 0.04 . 2 . . . . 62 LEU HD2 . 6727 1 633 . 1 1 62 62 LEU HD22 H 1 0.781 0.04 . 2 . . . . 62 LEU HD2 . 6727 1 634 . 1 1 62 62 LEU HD23 H 1 0.781 0.04 . 2 . . . . 62 LEU HD2 . 6727 1 635 . 1 1 62 62 LEU C C 13 177.685 0.4 . 1 . . . . 62 LEU C . 6727 1 636 . 1 1 62 62 LEU CA C 13 58.108 0.4 . 1 . . . . 62 LEU CA . 6727 1 637 . 1 1 62 62 LEU CB C 13 41.717 0.4 . 1 . . . . 62 LEU CB . 6727 1 638 . 1 1 62 62 LEU N N 15 126.962 0.4 . 1 . . . . 62 LEU N . 6727 1 639 . 1 1 63 63 VAL H H 1 7.879 0.04 . 1 . . . . 63 VAL H . 6727 1 640 . 1 1 63 63 VAL HA H 1 2.791 0.04 . 1 . . . . 63 VAL HA . 6727 1 641 . 1 1 63 63 VAL HB H 1 1.534 0.04 . 1 . . . . 63 VAL HB . 6727 1 642 . 1 1 63 63 VAL HG11 H 1 0.132 0.04 . 2 . . . . 63 VAL HG1 . 6727 1 643 . 1 1 63 63 VAL HG12 H 1 0.132 0.04 . 2 . . . . 63 VAL HG1 . 6727 1 644 . 1 1 63 63 VAL HG13 H 1 0.132 0.04 . 2 . . . . 63 VAL HG1 . 6727 1 645 . 1 1 63 63 VAL HG21 H 1 -0.034 0.04 . 2 . . . . 63 VAL HG2 . 6727 1 646 . 1 1 63 63 VAL HG22 H 1 -0.034 0.04 . 2 . . . . 63 VAL HG2 . 6727 1 647 . 1 1 63 63 VAL HG23 H 1 -0.034 0.04 . 2 . . . . 63 VAL HG2 . 6727 1 648 . 1 1 63 63 VAL C C 13 176.926 0.4 . 1 . . . . 63 VAL C . 6727 1 649 . 1 1 63 63 VAL CA C 13 67.007 0.4 . 1 . . . . 63 VAL CA . 6727 1 650 . 1 1 63 63 VAL CB C 13 30.936 0.4 . 1 . . . . 63 VAL CB . 6727 1 651 . 1 1 63 63 VAL CG1 C 13 19.854 0.4 . 2 . . . . 63 VAL CG1 . 6727 1 652 . 1 1 63 63 VAL CG2 C 13 22.136 0.4 . 2 . . . . 63 VAL CG2 . 6727 1 653 . 1 1 63 63 VAL N N 15 120.106 0.4 . 1 . . . . 63 VAL N . 6727 1 654 . 1 1 64 64 HIS H H 1 7.394 0.04 . 1 . . . . 64 HIS H . 6727 1 655 . 1 1 64 64 HIS HA H 1 4.013 0.04 . 1 . . . . 64 HIS HA . 6727 1 656 . 1 1 64 64 HIS HB2 H 1 3.107 0.04 . 2 . . . . 64 HIS HB2 . 6727 1 657 . 1 1 64 64 HIS HB3 H 1 3.019 0.04 . 2 . . . . 64 HIS HB3 . 6727 1 658 . 1 1 64 64 HIS HD2 H 1 6.946 0.04 . 1 . . . . 64 HIS HD2 . 6727 1 659 . 1 1 64 64 HIS C C 13 177.522 0.4 . 1 . . . . 64 HIS C . 6727 1 660 . 1 1 64 64 HIS CA C 13 60.076 0.4 . 1 . . . . 64 HIS CA . 6727 1 661 . 1 1 64 64 HIS CB C 13 30.188 0.4 . 1 . . . . 64 HIS CB . 6727 1 662 . 1 1 64 64 HIS N N 15 115.536 0.4 . 1 . . . . 64 HIS N . 6727 1 663 . 1 1 65 65 THR H H 1 8.188 0.04 . 1 . . . . 65 THR H . 6727 1 664 . 1 1 65 65 THR HA H 1 4.59 0.04 . 1 . . . . 65 THR HA . 6727 1 665 . 1 1 65 65 THR HB H 1 3.089 0.04 . 1 . . . . 65 THR HB . 6727 1 666 . 1 1 65 65 THR C C 13 175.073 0.4 . 1 . . . . 65 THR C . 6727 1 667 . 1 1 65 65 THR CA C 13 66.753 0.4 . 1 . . . . 65 THR CA . 6727 1 668 . 1 1 65 65 THR CB C 13 68.796 0.4 . 1 . . . . 65 THR CB . 6727 1 669 . 1 1 65 65 THR CG2 C 13 21.332 0.4 . 1 . . . . 65 THR CG2 . 6727 1 670 . 1 1 65 65 THR N N 15 113.822 0.4 . 1 . . . . 65 THR N . 6727 1 671 . 1 1 66 66 ALA H H 1 8.303 0.04 . 1 . . . . 66 ALA H . 6727 1 672 . 1 1 66 66 ALA HA H 1 3.837 0.04 . 1 . . . . 66 ALA HA . 6727 1 673 . 1 1 66 66 ALA HB1 H 1 1.331 0.04 . 1 . . . . 66 ALA HB . 6727 1 674 . 1 1 66 66 ALA HB2 H 1 1.331 0.04 . 1 . . . . 66 ALA HB . 6727 1 675 . 1 1 66 66 ALA HB3 H 1 1.331 0.04 . 1 . . . . 66 ALA HB . 6727 1 676 . 1 1 66 66 ALA C C 13 178.164 0.4 . 1 . . . . 66 ALA C . 6727 1 677 . 1 1 66 66 ALA CA C 13 54.169 0.4 . 1 . . . . 66 ALA CA . 6727 1 678 . 1 1 66 66 ALA CB C 13 18.933 0.4 . 1 . . . . 66 ALA CB . 6727 1 679 . 1 1 66 66 ALA N N 15 121.249 0.4 . 1 . . . . 66 ALA N . 6727 1 680 . 1 1 67 67 LYS H H 1 7.458 0.04 . 1 . . . . 67 LYS H . 6727 1 681 . 1 1 67 67 LYS HA H 1 4.034 0.04 . 1 . . . . 67 LYS HA . 6727 1 682 . 1 1 67 67 LYS HB2 H 1 1.806 0.04 . 2 . . . . 67 LYS HB2 . 6727 1 683 . 1 1 67 67 LYS HB3 H 1 1.617 0.04 . 2 . . . . 67 LYS HB3 . 6727 1 684 . 1 1 67 67 LYS HG2 H 1 1.245 0.04 . 1 . . . . 67 LYS HG2 . 6727 1 685 . 1 1 67 67 LYS HG3 H 1 1.245 0.04 . 1 . . . . 67 LYS HG3 . 6727 1 686 . 1 1 67 67 LYS HD2 H 1 1.254 0.04 . 1 . . . . 67 LYS HD2 . 6727 1 687 . 1 1 67 67 LYS HD3 H 1 1.254 0.04 . 1 . . . . 67 LYS HD3 . 6727 1 688 . 1 1 67 67 LYS C C 13 176.998 0.4 . 1 . . . . 67 LYS C . 6727 1 689 . 1 1 67 67 LYS CA C 13 57.663 0.4 . 1 . . . . 67 LYS CA . 6727 1 690 . 1 1 67 67 LYS CB C 13 33.482 0.4 . 1 . . . . 67 LYS CB . 6727 1 691 . 1 1 67 67 LYS CG C 13 25.813 0.4 . 1 . . . . 67 LYS CG . 6727 1 692 . 1 1 67 67 LYS N N 15 114.393 0.4 . 1 . . . . 67 LYS N . 6727 1 693 . 1 1 68 68 ILE H H 1 7.276 0.04 . 1 . . . . 68 ILE H . 6727 1 694 . 1 1 68 68 ILE HA H 1 4.205 0.04 . 1 . . . . 68 ILE HA . 6727 1 695 . 1 1 68 68 ILE HB H 1 1.848 0.04 . 1 . . . . 68 ILE HB . 6727 1 696 . 1 1 68 68 ILE HG12 H 1 1.33 0.04 . 2 . . . . 68 ILE HG12 . 6727 1 697 . 1 1 68 68 ILE HG13 H 1 1.2 0.04 . 2 . . . . 68 ILE HG13 . 6727 1 698 . 1 1 68 68 ILE HG21 H 1 0.725 0.04 . 1 . . . . 68 ILE HG2 . 6727 1 699 . 1 1 68 68 ILE HG22 H 1 0.725 0.04 . 1 . . . . 68 ILE HG2 . 6727 1 700 . 1 1 68 68 ILE HG23 H 1 0.725 0.04 . 1 . . . . 68 ILE HG2 . 6727 1 701 . 1 1 68 68 ILE HD11 H 1 0.604 0.04 . 1 . . . . 68 ILE HD1 . 6727 1 702 . 1 1 68 68 ILE HD12 H 1 0.604 0.04 . 1 . . . . 68 ILE HD1 . 6727 1 703 . 1 1 68 68 ILE HD13 H 1 0.604 0.04 . 1 . . . . 68 ILE HD1 . 6727 1 704 . 1 1 68 68 ILE C C 13 175.207 0.4 . 1 . . . . 68 ILE C . 6727 1 705 . 1 1 68 68 ILE CA C 13 60.96 0.4 . 1 . . . . 68 ILE CA . 6727 1 706 . 1 1 68 68 ILE CB C 13 38.822 0.4 . 1 . . . . 68 ILE CB . 6727 1 707 . 1 1 68 68 ILE CG1 C 13 25.098 0.4 . 1 . . . . 68 ILE CG1 . 6727 1 708 . 1 1 68 68 ILE CG2 C 13 16.863 0.4 . 1 . . . . 68 ILE CG2 . 6727 1 709 . 1 1 68 68 ILE CD1 C 13 12.925 0.4 . 1 . . . . 68 ILE CD1 . 6727 1 710 . 1 1 68 68 ILE N N 15 117.821 0.4 . 1 . . . . 68 ILE N . 6727 1 711 . 1 1 69 69 SER H H 1 8.217 0.04 . 1 . . . . 69 SER H . 6727 1 712 . 1 1 69 69 SER C C 13 174.22 0.4 . 1 . . . . 69 SER C . 6727 1 713 . 1 1 69 69 SER CA C 13 56.968 0.4 . 1 . . . . 69 SER CA . 6727 1 714 . 1 1 69 69 SER CB C 13 62.927 0.4 . 1 . . . . 69 SER CB . 6727 1 715 . 1 1 69 69 SER N N 15 118.392 0.4 . 1 . . . . 69 SER N . 6727 1 716 . 1 1 70 70 PRO HA H 1 3.846 0.04 . 1 . . . . 70 PRO HA . 6727 1 717 . 1 1 70 70 PRO HB2 H 1 2.334 0.04 . 2 . . . . 70 PRO HB2 . 6727 1 718 . 1 1 70 70 PRO HB3 H 1 1.93 0.04 . 2 . . . . 70 PRO HB3 . 6727 1 719 . 1 1 70 70 PRO HG2 H 1 0.902 0.04 . 2 . . . . 70 PRO HG2 . 6727 1 720 . 1 1 70 70 PRO HG3 H 1 0.062 0.04 . 2 . . . . 70 PRO HG3 . 6727 1 721 . 1 1 70 70 PRO C C 13 178.928 0.4 . 1 . . . . 70 PRO C . 6727 1 722 . 1 1 70 70 PRO CA C 13 66.15 0.4 . 1 . . . . 70 PRO CA . 6727 1 723 . 1 1 70 70 PRO CB C 13 32.007 0.4 . 1 . . . . 70 PRO CB . 6727 1 724 . 1 1 70 70 PRO CG C 13 27.605 0.4 . 1 . . . . 70 PRO CG . 6727 1 725 . 1 1 71 71 GLN H H 1 8.499 0.04 . 1 . . . . 71 GLN H . 6727 1 726 . 1 1 71 71 GLN HA H 1 4.14 0.04 . 1 . . . . 71 GLN HA . 6727 1 727 . 1 1 71 71 GLN HB2 H 1 2.117 0.04 . 1 . . . . 71 GLN HB2 . 6727 1 728 . 1 1 71 71 GLN HB3 H 1 2.117 0.04 . 1 . . . . 71 GLN HB3 . 6727 1 729 . 1 1 71 71 GLN HG2 H 1 2.415 0.04 . 1 . . . . 71 GLN HG2 . 6727 1 730 . 1 1 71 71 GLN HG3 H 1 2.415 0.04 . 1 . . . . 71 GLN HG3 . 6727 1 731 . 1 1 71 71 GLN C C 13 176.831 0.4 . 1 . . . . 71 GLN C . 6727 1 732 . 1 1 71 71 GLN CA C 13 58.066 0.4 . 1 . . . . 71 GLN CA . 6727 1 733 . 1 1 71 71 GLN CB C 13 27.992 0.4 . 1 . . . . 71 GLN CB . 6727 1 734 . 1 1 71 71 GLN CG C 13 33.977 0.4 . 1 . . . . 71 GLN CG . 6727 1 735 . 1 1 71 71 GLN N N 15 114.393 0.4 . 1 . . . . 71 GLN N . 6727 1 736 . 1 1 72 72 GLN H H 1 7.966 0.04 . 1 . . . . 72 GLN H . 6727 1 737 . 1 1 72 72 GLN HA H 1 4.308 0.04 . 1 . . . . 72 GLN HA . 6727 1 738 . 1 1 72 72 GLN HB2 H 1 2.228 0.04 . 2 . . . . 72 GLN HB2 . 6727 1 739 . 1 1 72 72 GLN HB3 H 1 1.976 0.04 . 2 . . . . 72 GLN HB3 . 6727 1 740 . 1 1 72 72 GLN HG2 H 1 2.263 0.04 . 1 . . . . 72 GLN HG2 . 6727 1 741 . 1 1 72 72 GLN HG3 H 1 2.263 0.04 . 1 . . . . 72 GLN HG3 . 6727 1 742 . 1 1 72 72 GLN C C 13 175.712 0.4 . 1 . . . . 72 GLN C . 6727 1 743 . 1 1 72 72 GLN CA C 13 55.486 0.4 . 1 . . . . 72 GLN CA . 6727 1 744 . 1 1 72 72 GLN CB C 13 29.913 0.4 . 1 . . . . 72 GLN CB . 6727 1 745 . 1 1 72 72 GLN CG C 13 34.395 0.4 . 1 . . . . 72 GLN CG . 6727 1 746 . 1 1 72 72 GLN N N 15 116.678 0.4 . 1 . . . . 72 GLN N . 6727 1 747 . 1 1 73 73 ARG H H 1 7.279 0.04 . 1 . . . . 73 ARG H . 6727 1 748 . 1 1 73 73 ARG HA H 1 4.184 0.04 . 1 . . . . 73 ARG HA . 6727 1 749 . 1 1 73 73 ARG HB2 H 1 2.006 0.04 . 2 . . . . 73 ARG HB2 . 6727 1 750 . 1 1 73 73 ARG HB3 H 1 1.748 0.04 . 2 . . . . 73 ARG HB3 . 6727 1 751 . 1 1 73 73 ARG HG2 H 1 1.858 0.04 . 1 . . . . 73 ARG HG2 . 6727 1 752 . 1 1 73 73 ARG HG3 H 1 1.858 0.04 . 1 . . . . 73 ARG HG3 . 6727 1 753 . 1 1 73 73 ARG HD2 H 1 2.371 0.04 . 1 . . . . 73 ARG HD2 . 6727 1 754 . 1 1 73 73 ARG HD3 H 1 2.371 0.04 . 1 . . . . 73 ARG HD3 . 6727 1 755 . 1 1 73 73 ARG C C 13 176.107 0.4 . 1 . . . . 73 ARG C . 6727 1 756 . 1 1 73 73 ARG CA C 13 57.137 0.4 . 1 . . . . 73 ARG CA . 6727 1 757 . 1 1 73 73 ARG CB C 13 29.62 0.4 . 1 . . . . 73 ARG CB . 6727 1 758 . 1 1 73 73 ARG CG C 13 27.887 0.4 . 1 . . . . 73 ARG CG . 6727 1 759 . 1 1 73 73 ARG N N 15 120.106 0.4 . 1 . . . . 73 ARG N . 6727 1 760 . 1 1 74 74 ARG H H 1 8.491 0.04 . 1 . . . . 74 ARG H . 6727 1 761 . 1 1 74 74 ARG HA H 1 4.514 0.04 . 1 . . . . 74 ARG HA . 6727 1 762 . 1 1 74 74 ARG HB2 H 1 1.83 0.04 . 2 . . . . 74 ARG HB2 . 6727 1 763 . 1 1 74 74 ARG HB3 H 1 1.696 0.04 . 2 . . . . 74 ARG HB3 . 6727 1 764 . 1 1 74 74 ARG HG2 H 1 1.555 0.04 . 1 . . . . 74 ARG HG2 . 6727 1 765 . 1 1 74 74 ARG HG3 H 1 1.555 0.04 . 1 . . . . 74 ARG HG3 . 6727 1 766 . 1 1 74 74 ARG HD2 H 1 3.142 0.04 . 1 . . . . 74 ARG HD2 . 6727 1 767 . 1 1 74 74 ARG HD3 H 1 3.142 0.04 . 1 . . . . 74 ARG HD3 . 6727 1 768 . 1 1 74 74 ARG C C 13 176.523 0.4 . 1 . . . . 74 ARG C . 6727 1 769 . 1 1 74 74 ARG CA C 13 54.913 0.4 . 1 . . . . 74 ARG CA . 6727 1 770 . 1 1 74 74 ARG CB C 13 31.907 0.4 . 1 . . . . 74 ARG CB . 6727 1 771 . 1 1 74 74 ARG CG C 13 26.609 0.4 . 1 . . . . 74 ARG CG . 6727 1 772 . 1 1 74 74 ARG N N 15 122.391 0.4 . 1 . . . . 74 ARG N . 6727 1 773 . 1 1 75 75 GLY H H 1 8.507 0.04 . 1 . . . . 75 GLY H . 6727 1 774 . 1 1 75 75 GLY HA2 H 1 3.802 0.04 . 2 . . . . 75 GLY HA2 . 6727 1 775 . 1 1 75 75 GLY HA3 H 1 4.02 0.04 . 2 . . . . 75 GLY HA3 . 6727 1 776 . 1 1 75 75 GLY C C 13 173.849 0.4 . 1 . . . . 75 GLY C . 6727 1 777 . 1 1 75 75 GLY CA C 13 44.253 0.4 . 1 . . . . 75 GLY CA . 6727 1 778 . 1 1 75 75 GLY N N 15 109.252 0.4 . 1 . . . . 75 GLY N . 6727 1 779 . 1 1 76 76 GLU H H 1 8.373 0.04 . 1 . . . . 76 GLU H . 6727 1 780 . 1 1 76 76 GLU C C 13 175.373 0.4 . 1 . . . . 76 GLU C . 6727 1 781 . 1 1 76 76 GLU CA C 13 54.599 0.4 . 1 . . . . 76 GLU CA . 6727 1 782 . 1 1 76 76 GLU N N 15 122.391 0.4 . 1 . . . . 76 GLU N . 6727 1 783 . 1 1 77 77 PRO HA H 1 4.379 0.04 . 1 . . . . 77 PRO HA . 6727 1 784 . 1 1 77 77 PRO HB2 H 1 2.153 0.04 . 2 . . . . 77 PRO HB2 . 6727 1 785 . 1 1 77 77 PRO HB3 H 1 1.824 0.04 . 2 . . . . 77 PRO HB3 . 6727 1 786 . 1 1 77 77 PRO C C 13 173.445 0.4 . 1 . . . . 77 PRO C . 6727 1 787 . 1 1 77 77 PRO CA C 13 63.414 0.4 . 1 . . . . 77 PRO CA . 6727 1 788 . 1 1 77 77 PRO CB C 13 31.835 0.4 . 1 . . . . 77 PRO CB . 6727 1 789 . 1 1 77 77 PRO CG C 13 27.207 0.4 . 1 . . . . 77 PRO CG . 6727 1 790 . 1 1 78 78 VAL H H 1 8.317 0.04 . 1 . . . . 78 VAL H . 6727 1 791 . 1 1 78 78 VAL C C 13 173.445 0.4 . 1 . . . . 78 VAL C . 6727 1 792 . 1 1 78 78 VAL CA C 13 59.373 0.4 . 1 . . . . 78 VAL CA . 6727 1 793 . 1 1 78 78 VAL N N 15 122.963 0.4 . 1 . . . . 78 VAL N . 6727 1 794 . 1 1 79 79 PRO HA H 1 4.375 0.04 . 1 . . . . 79 PRO HA . 6727 1 795 . 1 1 79 79 PRO HB2 H 1 2.535 0.04 . 2 . . . . 79 PRO HB2 . 6727 1 796 . 1 1 79 79 PRO HB3 H 1 1.961 0.04 . 2 . . . . 79 PRO HB3 . 6727 1 797 . 1 1 79 79 PRO HD2 H 1 3.793 0.04 . 2 . . . . 79 PRO HD2 . 6727 1 798 . 1 1 79 79 PRO HD3 H 1 3.66 0.04 . 2 . . . . 79 PRO HD3 . 6727 1 799 . 1 1 79 79 PRO C C 13 177.855 0.4 . 1 . . . . 79 PRO C . 6727 1 800 . 1 1 79 79 PRO CA C 13 63.342 0.4 . 1 . . . . 79 PRO CA . 6727 1 801 . 1 1 79 79 PRO CB C 13 32.659 0.4 . 1 . . . . 79 PRO CB . 6727 1 802 . 1 1 79 79 PRO CG C 13 27.605 0.4 . 1 . . . . 79 PRO CG . 6727 1 803 . 1 1 79 79 PRO CD C 13 50.725 0.4 . 1 . . . . 79 PRO CD . 6727 1 804 . 1 1 80 80 GLN H H 1 9.09 0.04 . 1 . . . . 80 GLN H . 6727 1 805 . 1 1 80 80 GLN HA H 1 3.731 0.04 . 1 . . . . 80 GLN HA . 6727 1 806 . 1 1 80 80 GLN HB2 H 1 2.299 0.04 . 2 . . . . 80 GLN HB2 . 6727 1 807 . 1 1 80 80 GLN HB3 H 1 1.945 0.04 . 2 . . . . 80 GLN HB3 . 6727 1 808 . 1 1 80 80 GLN HG2 H 1 2.354 0.04 . 1 . . . . 80 GLN HG2 . 6727 1 809 . 1 1 80 80 GLN HG3 H 1 2.354 0.04 . 1 . . . . 80 GLN HG3 . 6727 1 810 . 1 1 80 80 GLN C C 13 177.461 0.4 . 1 . . . . 80 GLN C . 6727 1 811 . 1 1 80 80 GLN CA C 13 58.767 0.4 . 1 . . . . 80 GLN CA . 6727 1 812 . 1 1 80 80 GLN CB C 13 28.266 0.4 . 1 . . . . 80 GLN CB . 6727 1 813 . 1 1 80 80 GLN CG C 13 33.38 0.4 . 1 . . . . 80 GLN CG . 6727 1 814 . 1 1 80 80 GLN N N 15 125.819 0.4 . 1 . . . . 80 GLN N . 6727 1 815 . 1 1 81 81 GLU H H 1 9.565 0.04 . 1 . . . . 81 GLU H . 6727 1 816 . 1 1 81 81 GLU HA H 1 4.087 0.04 . 1 . . . . 81 GLU HA . 6727 1 817 . 1 1 81 81 GLU HB2 H 1 1.997 0.04 . 2 . . . . 81 GLU HB2 . 6727 1 818 . 1 1 81 81 GLU HB3 H 1 2.028 0.04 . 2 . . . . 81 GLU HB3 . 6727 1 819 . 1 1 81 81 GLU HG2 H 1 2.317 0.04 . 1 . . . . 81 GLU HG2 . 6727 1 820 . 1 1 81 81 GLU HG3 H 1 2.317 0.04 . 1 . . . . 81 GLU HG3 . 6727 1 821 . 1 1 81 81 GLU C C 13 179.407 0.4 . 1 . . . . 81 GLU C . 6727 1 822 . 1 1 81 81 GLU CA C 13 60.019 0.4 . 1 . . . . 81 GLU CA . 6727 1 823 . 1 1 81 81 GLU CB C 13 28.266 0.4 . 1 . . . . 81 GLU CB . 6727 1 824 . 1 1 81 81 GLU CG C 13 36.267 0.4 . 1 . . . . 81 GLU CG . 6727 1 825 . 1 1 81 81 GLU N N 15 117.25 0.4 . 1 . . . . 81 GLU N . 6727 1 826 . 1 1 82 82 LEU H H 1 7.134 0.04 . 1 . . . . 82 LEU H . 6727 1 827 . 1 1 82 82 LEU HA H 1 4.229 0.04 . 1 . . . . 82 LEU HA . 6727 1 828 . 1 1 82 82 LEU HB2 H 1 1.851 0.04 . 2 . . . . 82 LEU HB2 . 6727 1 829 . 1 1 82 82 LEU HB3 H 1 1.434 0.04 . 2 . . . . 82 LEU HB3 . 6727 1 830 . 1 1 82 82 LEU HG H 1 1.434 0.04 . 1 . . . . 82 LEU HG . 6727 1 831 . 1 1 82 82 LEU HD11 H 1 0.946 0.04 . 2 . . . . 82 LEU HD1 . 6727 1 832 . 1 1 82 82 LEU HD12 H 1 0.946 0.04 . 2 . . . . 82 LEU HD1 . 6727 1 833 . 1 1 82 82 LEU HD13 H 1 0.946 0.04 . 2 . . . . 82 LEU HD1 . 6727 1 834 . 1 1 82 82 LEU HD21 H 1 0.87 0.04 . 2 . . . . 82 LEU HD2 . 6727 1 835 . 1 1 82 82 LEU HD22 H 1 0.87 0.04 . 2 . . . . 82 LEU HD2 . 6727 1 836 . 1 1 82 82 LEU HD23 H 1 0.87 0.04 . 2 . . . . 82 LEU HD2 . 6727 1 837 . 1 1 82 82 LEU C C 13 178.766 0.4 . 1 . . . . 82 LEU C . 6727 1 838 . 1 1 82 82 LEU CA C 13 57.184 0.4 . 1 . . . . 82 LEU CA . 6727 1 839 . 1 1 82 82 LEU CB C 13 41.686 0.4 . 1 . . . . 82 LEU CB . 6727 1 840 . 1 1 82 82 LEU CG C 13 26.908 0.4 . 1 . . . . 82 LEU CG . 6727 1 841 . 1 1 82 82 LEU CD1 C 13 23.904 0.4 . 2 . . . . 82 LEU CD1 . 6727 1 842 . 1 1 82 82 LEU CD2 C 13 23.904 0.4 . 2 . . . . 82 LEU CD2 . 6727 1 843 . 1 1 82 82 LEU N N 15 118.392 0.4 . 1 . . . . 82 LEU N . 6727 1 844 . 1 1 83 83 LEU H H 1 7.6 0.04 . 1 . . . . 83 LEU H . 6727 1 845 . 1 1 83 83 LEU HA H 1 3.823 0.04 . 1 . . . . 83 LEU HA . 6727 1 846 . 1 1 83 83 LEU HB2 H 1 1.971 0.04 . 2 . . . . 83 LEU HB2 . 6727 1 847 . 1 1 83 83 LEU HB3 H 1 1.234 0.04 . 2 . . . . 83 LEU HB3 . 6727 1 848 . 1 1 83 83 LEU HG H 1 1.554 0.04 . 1 . . . . 83 LEU HG . 6727 1 849 . 1 1 83 83 LEU HD11 H 1 0.707 0.04 . 2 . . . . 83 LEU HD1 . 6727 1 850 . 1 1 83 83 LEU HD12 H 1 0.707 0.04 . 2 . . . . 83 LEU HD1 . 6727 1 851 . 1 1 83 83 LEU HD13 H 1 0.707 0.04 . 2 . . . . 83 LEU HD1 . 6727 1 852 . 1 1 83 83 LEU HD21 H 1 0.562 0.04 . 2 . . . . 83 LEU HD2 . 6727 1 853 . 1 1 83 83 LEU HD22 H 1 0.562 0.04 . 2 . . . . 83 LEU HD2 . 6727 1 854 . 1 1 83 83 LEU HD23 H 1 0.562 0.04 . 2 . . . . 83 LEU HD2 . 6727 1 855 . 1 1 83 83 LEU C C 13 178.79 0.4 . 1 . . . . 83 LEU C . 6727 1 856 . 1 1 83 83 LEU CA C 13 57.912 0.4 . 1 . . . . 83 LEU CA . 6727 1 857 . 1 1 83 83 LEU CB C 13 40.259 0.4 . 1 . . . . 83 LEU CB . 6727 1 858 . 1 1 83 83 LEU CG C 13 25.713 0.4 . 1 . . . . 83 LEU CG . 6727 1 859 . 1 1 83 83 LEU CD1 C 13 25.802 0.4 . 2 . . . . 83 LEU CD1 . 6727 1 860 . 1 1 83 83 LEU CD2 C 13 21.402 0.4 . 2 . . . . 83 LEU CD2 . 6727 1 861 . 1 1 83 83 LEU N N 15 119.535 0.4 . 1 . . . . 83 LEU N . 6727 1 862 . 1 1 84 84 ASN H H 1 8.727 0.04 . 1 . . . . 84 ASN H . 6727 1 863 . 1 1 84 84 ASN HA H 1 4.427 0.04 . 1 . . . . 84 ASN HA . 6727 1 864 . 1 1 84 84 ASN HB2 H 1 2.868 0.04 . 2 . . . . 84 ASN HB2 . 6727 1 865 . 1 1 84 84 ASN HB3 H 1 2.868 0.04 . 2 . . . . 84 ASN HB3 . 6727 1 866 . 1 1 84 84 ASN C C 13 178.335 0.4 . 1 . . . . 84 ASN C . 6727 1 867 . 1 1 84 84 ASN CA C 13 55.792 0.4 . 1 . . . . 84 ASN CA . 6727 1 868 . 1 1 84 84 ASN CB C 13 37.325 0.4 . 1 . . . . 84 ASN CB . 6727 1 869 . 1 1 84 84 ASN N N 15 117.821 0.4 . 1 . . . . 84 ASN N . 6727 1 870 . 1 1 85 85 ARG H H 1 7.434 0.04 . 1 . . . . 85 ARG H . 6727 1 871 . 1 1 85 85 ARG HA H 1 4.152 0.04 . 1 . . . . 85 ARG HA . 6727 1 872 . 1 1 85 85 ARG HB2 H 1 2.157 0.04 . 1 . . . . 85 ARG HB2 . 6727 1 873 . 1 1 85 85 ARG HB3 H 1 2.157 0.04 . 1 . . . . 85 ARG HB3 . 6727 1 874 . 1 1 85 85 ARG HG2 H 1 2.101 0.04 . 2 . . . . 85 ARG HG2 . 6727 1 875 . 1 1 85 85 ARG HG3 H 1 1.888 0.04 . 2 . . . . 85 ARG HG3 . 6727 1 876 . 1 1 85 85 ARG C C 13 180.357 0.4 . 1 . . . . 85 ARG C . 6727 1 877 . 1 1 85 85 ARG CA C 13 59.681 0.4 . 1 . . . . 85 ARG CA . 6727 1 878 . 1 1 85 85 ARG CB C 13 31.609 0.4 . 1 . . . . 85 ARG CB . 6727 1 879 . 1 1 85 85 ARG CG C 13 26.908 0.4 . 1 . . . . 85 ARG CG . 6727 1 880 . 1 1 85 85 ARG N N 15 120.106 0.4 . 1 . . . . 85 ARG N . 6727 1 881 . 1 1 86 86 VAL H H 1 8.425 0.04 . 1 . . . . 86 VAL H . 6727 1 882 . 1 1 86 86 VAL HA H 1 3.836 0.04 . 1 . . . . 86 VAL HA . 6727 1 883 . 1 1 86 86 VAL HB H 1 2.333 0.04 . 1 . . . . 86 VAL HB . 6727 1 884 . 1 1 86 86 VAL HG11 H 1 0.895 0.04 . 2 . . . . 86 VAL HG1 . 6727 1 885 . 1 1 86 86 VAL HG12 H 1 0.895 0.04 . 2 . . . . 86 VAL HG1 . 6727 1 886 . 1 1 86 86 VAL HG13 H 1 0.895 0.04 . 2 . . . . 86 VAL HG1 . 6727 1 887 . 1 1 86 86 VAL HG21 H 1 0.061 0.04 . 2 . . . . 86 VAL HG2 . 6727 1 888 . 1 1 86 86 VAL HG22 H 1 0.061 0.04 . 2 . . . . 86 VAL HG2 . 6727 1 889 . 1 1 86 86 VAL HG23 H 1 0.061 0.04 . 2 . . . . 86 VAL HG2 . 6727 1 890 . 1 1 86 86 VAL C C 13 177.257 0.4 . 1 . . . . 86 VAL C . 6727 1 891 . 1 1 86 86 VAL CA C 13 66.582 0.4 . 1 . . . . 86 VAL CA . 6727 1 892 . 1 1 86 86 VAL CB C 13 31.099 0.4 . 1 . . . . 86 VAL CB . 6727 1 893 . 1 1 86 86 VAL CG1 C 13 23.113 0.4 . 2 . . . . 86 VAL CG1 . 6727 1 894 . 1 1 86 86 VAL CG2 C 13 20.436 0.4 . 2 . . . . 86 VAL CG2 . 6727 1 895 . 1 1 86 86 VAL N N 15 122.391 0.4 . 1 . . . . 86 VAL N . 6727 1 896 . 1 1 87 87 LEU H H 1 8.099 0.04 . 1 . . . . 87 LEU H . 6727 1 897 . 1 1 87 87 LEU HA H 1 4.074 0.04 . 1 . . . . 87 LEU HA . 6727 1 898 . 1 1 87 87 LEU HB2 H 1 1.755 0.04 . 2 . . . . 87 LEU HB2 . 6727 1 899 . 1 1 87 87 LEU HB3 H 1 1.755 0.04 . 2 . . . . 87 LEU HB3 . 6727 1 900 . 1 1 87 87 LEU HG H 1 1.702 0.04 . 1 . . . . 87 LEU HG . 6727 1 901 . 1 1 87 87 LEU HD11 H 1 0.838 0.04 . 2 . . . . 87 LEU HD1 . 6727 1 902 . 1 1 87 87 LEU HD12 H 1 0.838 0.04 . 2 . . . . 87 LEU HD1 . 6727 1 903 . 1 1 87 87 LEU HD13 H 1 0.838 0.04 . 2 . . . . 87 LEU HD1 . 6727 1 904 . 1 1 87 87 LEU HD21 H 1 0.777 0.04 . 2 . . . . 87 LEU HD2 . 6727 1 905 . 1 1 87 87 LEU HD22 H 1 0.777 0.04 . 2 . . . . 87 LEU HD2 . 6727 1 906 . 1 1 87 87 LEU HD23 H 1 0.777 0.04 . 2 . . . . 87 LEU HD2 . 6727 1 907 . 1 1 87 87 LEU C C 13 180.721 0.4 . 1 . . . . 87 LEU C . 6727 1 908 . 1 1 87 87 LEU CA C 13 58.173 0.4 . 1 . . . . 87 LEU CA . 6727 1 909 . 1 1 87 87 LEU CB C 13 41.443 0.4 . 1 . . . . 87 LEU CB . 6727 1 910 . 1 1 87 87 LEU CG C 13 26.781 0.4 . 1 . . . . 87 LEU CG . 6727 1 911 . 1 1 87 87 LEU CD1 C 13 24.01 0.4 . 2 . . . . 87 LEU CD1 . 6727 1 912 . 1 1 87 87 LEU CD2 C 13 23.113 0.4 . 2 . . . . 87 LEU CD2 . 6727 1 913 . 1 1 87 87 LEU N N 15 118.964 0.4 . 1 . . . . 87 LEU N . 6727 1 914 . 1 1 88 88 ASN H H 1 8.421 0.04 . 1 . . . . 88 ASN H . 6727 1 915 . 1 1 88 88 ASN HA H 1 4.594 0.04 . 1 . . . . 88 ASN HA . 6727 1 916 . 1 1 88 88 ASN HB2 H 1 2.872 0.04 . 2 . . . . 88 ASN HB2 . 6727 1 917 . 1 1 88 88 ASN HB3 H 1 2.871 0.04 . 2 . . . . 88 ASN HB3 . 6727 1 918 . 1 1 88 88 ASN C C 13 177.91 0.4 . 1 . . . . 88 ASN C . 6727 1 919 . 1 1 88 88 ASN CA C 13 56.046 0.4 . 1 . . . . 88 ASN CA . 6727 1 920 . 1 1 88 88 ASN CB C 13 37.874 0.4 . 1 . . . . 88 ASN CB . 6727 1 921 . 1 1 88 88 ASN N N 15 118.964 0.4 . 1 . . . . 88 ASN N . 6727 1 922 . 1 1 89 89 ALA H H 1 8.557 0.04 . 1 . . . . 89 ALA H . 6727 1 923 . 1 1 89 89 ALA HA H 1 4.572 0.04 . 1 . . . . 89 ALA HA . 6727 1 924 . 1 1 89 89 ALA HB1 H 1 1.876 0.04 . 1 . . . . 89 ALA HB . 6727 1 925 . 1 1 89 89 ALA HB2 H 1 1.876 0.04 . 1 . . . . 89 ALA HB . 6727 1 926 . 1 1 89 89 ALA HB3 H 1 1.876 0.04 . 1 . . . . 89 ALA HB . 6727 1 927 . 1 1 89 89 ALA C C 13 179.231 0.4 . 1 . . . . 89 ALA C . 6727 1 928 . 1 1 89 89 ALA CA C 13 55.343 0.4 . 1 . . . . 89 ALA CA . 6727 1 929 . 1 1 89 89 ALA CB C 13 18.11 0.4 . 1 . . . . 89 ALA CB . 6727 1 930 . 1 1 89 89 ALA N N 15 123.221 0.4 . 1 . . . . 89 ALA N . 6727 1 931 . 1 1 90 90 HIS H H 1 9.475 0.04 . 1 . . . . 90 HIS H . 6727 1 932 . 1 1 90 90 HIS HA H 1 4.672 0.04 . 1 . . . . 90 HIS HA . 6727 1 933 . 1 1 90 90 HIS HB2 H 1 3.448 0.04 . 1 . . . . 90 HIS HB2 . 6727 1 934 . 1 1 90 90 HIS HB3 H 1 3.448 0.04 . 1 . . . . 90 HIS HB3 . 6727 1 935 . 1 1 90 90 HIS HD2 H 1 7.097 0.04 . 1 . . . . 90 HIS HD2 . 6727 1 936 . 1 1 90 90 HIS C C 13 179.561 0.4 . 1 . . . . 90 HIS C . 6727 1 937 . 1 1 90 90 HIS CA C 13 60.941 0.4 . 1 . . . . 90 HIS CA . 6727 1 938 . 1 1 90 90 HIS CB C 13 31.835 0.4 . 1 . . . . 90 HIS CB . 6727 1 939 . 1 1 90 90 HIS N N 15 118.392 0.4 . 1 . . . . 90 HIS N . 6727 1 940 . 1 1 91 91 GLY H H 1 8.651 0.04 . 1 . . . . 91 GLY H . 6727 1 941 . 1 1 91 91 GLY HA2 H 1 4.049 0.04 . 2 . . . . 91 GLY HA2 . 6727 1 942 . 1 1 91 91 GLY HA3 H 1 3.722 0.04 . 2 . . . . 91 GLY HA3 . 6727 1 943 . 1 1 91 91 GLY C C 13 175.445 0.4 . 1 . . . . 91 GLY C . 6727 1 944 . 1 1 91 91 GLY CA C 13 47.169 0.4 . 1 . . . . 91 GLY CA . 6727 1 945 . 1 1 91 91 GLY N N 15 106.966 0.4 . 1 . . . . 91 GLY N . 6727 1 946 . 1 1 92 92 TYR H H 1 8.206 0.04 . 1 . . . . 92 TYR H . 6727 1 947 . 1 1 92 92 TYR HA H 1 4.06 0.04 . 1 . . . . 92 TYR HA . 6727 1 948 . 1 1 92 92 TYR HB2 H 1 3.074 0.04 . 2 . . . . 92 TYR HB2 . 6727 1 949 . 1 1 92 92 TYR HB3 H 1 2.772 0.04 . 2 . . . . 92 TYR HB3 . 6727 1 950 . 1 1 92 92 TYR HD1 H 1 6.025 0.04 . 1 . . . . 92 TYR HD1 . 6727 1 951 . 1 1 92 92 TYR HD2 H 1 6.025 0.04 . 1 . . . . 92 TYR HD2 . 6727 1 952 . 1 1 92 92 TYR HE1 H 1 5.775 0.04 . 1 . . . . 92 TYR HE1 . 6727 1 953 . 1 1 92 92 TYR HE2 H 1 5.775 0.04 . 1 . . . . 92 TYR HE2 . 6727 1 954 . 1 1 92 92 TYR C C 13 178.179 0.4 . 1 . . . . 92 TYR C . 6727 1 955 . 1 1 92 92 TYR CA C 13 61.5 0.4 . 1 . . . . 92 TYR CA . 6727 1 956 . 1 1 92 92 TYR CB C 13 38.423 0.4 . 1 . . . . 92 TYR CB . 6727 1 957 . 1 1 92 92 TYR CD1 C 13 132.606 0.4 . 3 . . . . 92 TYR CD1 . 6727 1 958 . 1 1 92 92 TYR CD2 C 13 132.606 0.4 . 3 . . . . 92 TYR CD2 . 6727 1 959 . 1 1 92 92 TYR CE1 C 13 116.834 0.4 . 3 . . . . 92 TYR CE1 . 6727 1 960 . 1 1 92 92 TYR CE2 C 13 116.834 0.4 . 3 . . . . 92 TYR CE2 . 6727 1 961 . 1 1 92 92 TYR N N 15 122.931 0.4 . 1 . . . . 92 TYR N . 6727 1 962 . 1 1 93 93 TRP H H 1 8.659 0.04 . 1 . . . . 93 TRP H . 6727 1 963 . 1 1 93 93 TRP HA H 1 4.337 0.04 . 1 . . . . 93 TRP HA . 6727 1 964 . 1 1 93 93 TRP HB2 H 1 3.49 0.04 . 2 . . . . 93 TRP HB2 . 6727 1 965 . 1 1 93 93 TRP HB3 H 1 3.16 0.04 . 2 . . . . 93 TRP HB3 . 6727 1 966 . 1 1 93 93 TRP HD1 H 1 7.286 0.04 . 1 . . . . 93 TRP HD1 . 6727 1 967 . 1 1 93 93 TRP HE1 H 1 9.522 0.04 . 1 . . . . 93 TRP HE1 . 6727 1 968 . 1 1 93 93 TRP HZ2 H 1 7.324 0.04 . 1 . . . . 93 TRP HZ2 . 6727 1 969 . 1 1 93 93 TRP HZ3 H 1 7.665 0.04 . 1 . . . . 93 TRP HZ3 . 6727 1 970 . 1 1 93 93 TRP HH2 H 1 7.204 0.04 . 1 . . . . 93 TRP HH2 . 6727 1 971 . 1 1 93 93 TRP C C 13 178.877 0.4 . 1 . . . . 93 TRP C . 6727 1 972 . 1 1 93 93 TRP CA C 13 60.06 0.4 . 1 . . . . 93 TRP CA . 6727 1 973 . 1 1 93 93 TRP CB C 13 29.09 0.4 . 1 . . . . 93 TRP CB . 6727 1 974 . 1 1 93 93 TRP CD1 C 13 126.86 0.4 . 1 . . . . 93 TRP CD1 . 6727 1 975 . 1 1 93 93 TRP CZ2 C 13 114.549 0.4 . 1 . . . . 93 TRP CZ2 . 6727 1 976 . 1 1 93 93 TRP CZ3 C 13 120.093 0.4 . 1 . . . . 93 TRP CZ3 . 6727 1 977 . 1 1 93 93 TRP CH2 C 13 124.693 0.4 . 1 . . . . 93 TRP CH2 . 6727 1 978 . 1 1 93 93 TRP N N 15 117.821 0.4 . 1 . . . . 93 TRP N . 6727 1 979 . 1 1 93 93 TRP NE1 N 15 128.251 0.4 . 1 . . . . 93 TRP NE1 . 6727 1 980 . 1 1 94 94 THR H H 1 8.105 0.04 . 1 . . . . 94 THR H . 6727 1 981 . 1 1 94 94 THR HA H 1 4.061 0.04 . 1 . . . . 94 THR HA . 6727 1 982 . 1 1 94 94 THR HB H 1 4.133 0.04 . 1 . . . . 94 THR HB . 6727 1 983 . 1 1 94 94 THR HG21 H 1 1.128 0.04 . 1 . . . . 94 THR HG2 . 6727 1 984 . 1 1 94 94 THR HG22 H 1 1.128 0.04 . 1 . . . . 94 THR HG2 . 6727 1 985 . 1 1 94 94 THR HG23 H 1 1.128 0.04 . 1 . . . . 94 THR HG2 . 6727 1 986 . 1 1 94 94 THR C C 13 176.062 0.4 . 1 . . . . 94 THR C . 6727 1 987 . 1 1 94 94 THR CA C 13 66.056 0.4 . 1 . . . . 94 THR CA . 6727 1 988 . 1 1 94 94 THR CB C 13 68.893 0.4 . 1 . . . . 94 THR CB . 6727 1 989 . 1 1 94 94 THR CG2 C 13 21.033 0.4 . 1 . . . . 94 THR CG2 . 6727 1 990 . 1 1 94 94 THR N N 15 114.965 0.4 . 1 . . . . 94 THR N . 6727 1 991 . 1 1 95 95 GLN H H 1 7.571 0.04 . 1 . . . . 95 GLN H . 6727 1 992 . 1 1 95 95 GLN HA H 1 4.084 0.04 . 1 . . . . 95 GLN HA . 6727 1 993 . 1 1 95 95 GLN HB2 H 1 2.037 0.04 . 1 . . . . 95 GLN HB2 . 6727 1 994 . 1 1 95 95 GLN HB3 H 1 2.037 0.04 . 1 . . . . 95 GLN HB3 . 6727 1 995 . 1 1 95 95 GLN HG2 H 1 2.333 0.04 . 1 . . . . 95 GLN HG2 . 6727 1 996 . 1 1 95 95 GLN HG3 H 1 2.333 0.04 . 1 . . . . 95 GLN HG3 . 6727 1 997 . 1 1 95 95 GLN C C 13 177.802 0.4 . 1 . . . . 95 GLN C . 6727 1 998 . 1 1 95 95 GLN CA C 13 58.128 0.4 . 1 . . . . 95 GLN CA . 6727 1 999 . 1 1 95 95 GLN CB C 13 28.029 0.4 . 1 . . . . 95 GLN CB . 6727 1 1000 . 1 1 95 95 GLN CG C 13 33.679 0.4 . 1 . . . . 95 GLN CG . 6727 1 1001 . 1 1 95 95 GLN N N 15 120.106 0.4 . 1 . . . . 95 GLN N . 6727 1 1002 . 1 1 96 96 GLN H H 1 7.912 0.04 . 1 . . . . 96 GLN H . 6727 1 1003 . 1 1 96 96 GLN HA H 1 3.896 0.04 . 1 . . . . 96 GLN HA . 6727 1 1004 . 1 1 96 96 GLN HB2 H 1 2.085 0.04 . 2 . . . . 96 GLN HB2 . 6727 1 1005 . 1 1 96 96 GLN HB3 H 1 1.873 0.04 . 2 . . . . 96 GLN HB3 . 6727 1 1006 . 1 1 96 96 GLN HG2 H 1 1.825 0.04 . 2 . . . . 96 GLN HG2 . 6727 1 1007 . 1 1 96 96 GLN HG3 H 1 1.825 0.04 . 2 . . . . 96 GLN HG3 . 6727 1 1008 . 1 1 96 96 GLN C C 13 177.743 0.4 . 1 . . . . 96 GLN C . 6727 1 1009 . 1 1 96 96 GLN CA C 13 57.641 0.4 . 1 . . . . 96 GLN CA . 6727 1 1010 . 1 1 96 96 GLN CB C 13 28.427 0.4 . 1 . . . . 96 GLN CB . 6727 1 1011 . 1 1 96 96 GLN CG C 13 33.081 0.4 . 1 . . . . 96 GLN CG . 6727 1 1012 . 1 1 96 96 GLN N N 15 118.392 0.4 . 1 . . . . 96 GLN N . 6727 1 1013 . 1 1 97 97 GLN H H 1 8.033 0.04 . 1 . . . . 97 GLN H . 6727 1 1014 . 1 1 97 97 GLN HA H 1 4.135 0.04 . 1 . . . . 97 GLN HA . 6727 1 1015 . 1 1 97 97 GLN HB2 H 1 2.124 0.04 . 1 . . . . 97 GLN HB2 . 6727 1 1016 . 1 1 97 97 GLN HB3 H 1 2.124 0.04 . 1 . . . . 97 GLN HB3 . 6727 1 1017 . 1 1 97 97 GLN HG2 H 1 2.417 0.04 . 1 . . . . 97 GLN HG2 . 6727 1 1018 . 1 1 97 97 GLN HG3 H 1 2.417 0.04 . 1 . . . . 97 GLN HG3 . 6727 1 1019 . 1 1 97 97 GLN C C 13 177.424 0.4 . 1 . . . . 97 GLN C . 6727 1 1020 . 1 1 97 97 GLN CA C 13 57.37 0.4 . 1 . . . . 97 GLN CA . 6727 1 1021 . 1 1 97 97 GLN CB C 13 28.541 0.4 . 1 . . . . 97 GLN CB . 6727 1 1022 . 1 1 97 97 GLN CG C 13 33.977 0.4 . 1 . . . . 97 GLN CG . 6727 1 1023 . 1 1 97 97 GLN N N 15 118.392 0.4 . 1 . . . . 97 GLN N . 6727 1 1024 . 1 1 98 98 MET H H 1 7.962 0.04 . 1 . . . . 98 MET H . 6727 1 1025 . 1 1 98 98 MET HA H 1 4.308 0.04 . 1 . . . . 98 MET HA . 6727 1 1026 . 1 1 98 98 MET HB2 H 1 2.543 0.04 . 2 . . . . 98 MET HB2 . 6727 1 1027 . 1 1 98 98 MET HB3 H 1 2.079 0.04 . 2 . . . . 98 MET HB3 . 6727 1 1028 . 1 1 98 98 MET C C 13 177.362 0.4 . 1 . . . . 98 MET C . 6727 1 1029 . 1 1 98 98 MET CA C 13 56.841 0.4 . 1 . . . . 98 MET CA . 6727 1 1030 . 1 1 98 98 MET CB C 13 32.11 0.4 . 1 . . . . 98 MET CB . 6727 1 1031 . 1 1 98 98 MET N N 15 118.392 0.4 . 1 . . . . 98 MET N . 6727 1 1032 . 1 1 99 99 GLN H H 1 8.08 0.04 . 1 . . . . 99 GLN H . 6727 1 1033 . 1 1 99 99 GLN HA H 1 4.191 0.04 . 1 . . . . 99 GLN HA . 6727 1 1034 . 1 1 99 99 GLN HB2 H 1 2.058 0.04 . 1 . . . . 99 GLN HB2 . 6727 1 1035 . 1 1 99 99 GLN HB3 H 1 2.058 0.04 . 1 . . . . 99 GLN HB3 . 6727 1 1036 . 1 1 99 99 GLN HG2 H 1 2.335 0.04 . 1 . . . . 99 GLN HG2 . 6727 1 1037 . 1 1 99 99 GLN HG3 H 1 2.335 0.04 . 1 . . . . 99 GLN HG3 . 6727 1 1038 . 1 1 99 99 GLN C C 13 176.743 0.4 . 1 . . . . 99 GLN C . 6727 1 1039 . 1 1 99 99 GLN CA C 13 56.876 0.4 . 1 . . . . 99 GLN CA . 6727 1 1040 . 1 1 99 99 GLN CB C 13 28.7 0.4 . 1 . . . . 99 GLN CB . 6727 1 1041 . 1 1 99 99 GLN CG C 13 33.679 0.4 . 1 . . . . 99 GLN CG . 6727 1 1042 . 1 1 99 99 GLN N N 15 118.964 0.4 . 1 . . . . 99 GLN N . 6727 1 1043 . 1 1 100 100 GLN H H 1 8.081 0.04 . 1 . . . . 100 GLN H . 6727 1 1044 . 1 1 100 100 GLN HA H 1 4.203 0.04 . 1 . . . . 100 GLN HA . 6727 1 1045 . 1 1 100 100 GLN HB2 H 1 2.077 0.04 . 1 . . . . 100 GLN HB2 . 6727 1 1046 . 1 1 100 100 GLN HB3 H 1 2.077 0.04 . 1 . . . . 100 GLN HB3 . 6727 1 1047 . 1 1 100 100 GLN HG2 H 1 2.365 0.04 . 1 . . . . 100 GLN HG2 . 6727 1 1048 . 1 1 100 100 GLN HG3 H 1 2.365 0.04 . 1 . . . . 100 GLN HG3 . 6727 1 1049 . 1 1 100 100 GLN C C 13 176.443 0.4 . 1 . . . . 100 GLN C . 6727 1 1050 . 1 1 100 100 GLN CA C 13 56.53 0.4 . 1 . . . . 100 GLN CA . 6727 1 1051 . 1 1 100 100 GLN CB C 13 28.815 0.4 . 1 . . . . 100 GLN CB . 6727 1 1052 . 1 1 100 100 GLN CG C 13 33.679 0.4 . 1 . . . . 100 GLN CG . 6727 1 1053 . 1 1 100 100 GLN N N 15 119.535 0.4 . 1 . . . . 100 GLN N . 6727 1 1054 . 1 1 101 101 LEU H H 1 8.022 0.04 . 1 . . . . 101 LEU H . 6727 1 1055 . 1 1 101 101 LEU HA H 1 4.272 0.04 . 1 . . . . 101 LEU HA . 6727 1 1056 . 1 1 101 101 LEU HB2 H 1 1.563 0.04 . 1 . . . . 101 LEU HB2 . 6727 1 1057 . 1 1 101 101 LEU HB3 H 1 1.563 0.04 . 1 . . . . 101 LEU HB3 . 6727 1 1058 . 1 1 101 101 LEU HD11 H 1 0.874 0.04 . 2 . . . . 101 LEU HD1 . 6727 1 1059 . 1 1 101 101 LEU HD12 H 1 0.874 0.04 . 2 . . . . 101 LEU HD1 . 6727 1 1060 . 1 1 101 101 LEU HD13 H 1 0.874 0.04 . 2 . . . . 101 LEU HD1 . 6727 1 1061 . 1 1 101 101 LEU HD21 H 1 0.817 0.04 . 2 . . . . 101 LEU HD2 . 6727 1 1062 . 1 1 101 101 LEU HD22 H 1 0.817 0.04 . 2 . . . . 101 LEU HD2 . 6727 1 1063 . 1 1 101 101 LEU HD23 H 1 0.817 0.04 . 2 . . . . 101 LEU HD2 . 6727 1 1064 . 1 1 101 101 LEU C C 13 177.61 0.4 . 1 . . . . 101 LEU C . 6727 1 1065 . 1 1 101 101 LEU CA C 13 55.583 0.4 . 1 . . . . 101 LEU CA . 6727 1 1066 . 1 1 101 101 LEU CB C 13 42.266 0.4 . 1 . . . . 101 LEU CB . 6727 1 1067 . 1 1 101 101 LEU CG C 13 20.609 0.4 . 1 . . . . 101 LEU CG . 6727 1 1068 . 1 1 101 101 LEU CD1 C 13 24.917 0.4 . 2 . . . . 101 LEU CD1 . 6727 1 1069 . 1 1 101 101 LEU CD2 C 13 23.025 0.4 . 2 . . . . 101 LEU CD2 . 6727 1 1070 . 1 1 101 101 LEU N N 15 121.249 0.4 . 1 . . . . 101 LEU N . 6727 1 1071 . 1 1 102 102 GLN H H 1 8.177 0.04 . 1 . . . . 102 GLN H . 6727 1 1072 . 1 1 102 102 GLN HA H 1 4.262 0.04 . 1 . . . . 102 GLN HA . 6727 1 1073 . 1 1 102 102 GLN HB2 H 1 2.058 0.04 . 1 . . . . 102 GLN HB2 . 6727 1 1074 . 1 1 102 102 GLN HB3 H 1 2.058 0.04 . 1 . . . . 102 GLN HB3 . 6727 1 1075 . 1 1 102 102 GLN HG2 H 1 2.301 0.04 . 1 . . . . 102 GLN HG2 . 6727 1 1076 . 1 1 102 102 GLN HG3 H 1 2.301 0.04 . 1 . . . . 102 GLN HG3 . 6727 1 1077 . 1 1 102 102 GLN C C 13 175.794 0.4 . 1 . . . . 102 GLN C . 6727 1 1078 . 1 1 102 102 GLN CA C 13 55.923 0.4 . 1 . . . . 102 GLN CA . 6727 1 1079 . 1 1 102 102 GLN CB C 13 29.09 0.4 . 1 . . . . 102 GLN CB . 6727 1 1080 . 1 1 102 102 GLN N N 15 119.535 0.4 . 1 . . . . 102 GLN N . 6727 1 1081 . 1 1 103 103 GLN H H 1 8.276 0.04 . 1 . . . . 103 GLN H . 6727 1 1082 . 1 1 103 103 GLN HA H 1 4.32 0.04 . 1 . . . . 103 GLN HA . 6727 1 1083 . 1 1 103 103 GLN HB2 H 1 2.01 0.04 . 2 . . . . 103 GLN HB2 . 6727 1 1084 . 1 1 103 103 GLN HB3 H 1 2.01 0.04 . 2 . . . . 103 GLN HB3 . 6727 1 1085 . 1 1 103 103 GLN HG2 H 1 2.234 0.04 . 2 . . . . 103 GLN HG2 . 6727 1 1086 . 1 1 103 103 GLN HG3 H 1 2.234 0.04 . 2 . . . . 103 GLN HG3 . 6727 1 1087 . 1 1 103 103 GLN C C 13 175.52 0.4 . 1 . . . . 103 GLN C . 6727 1 1088 . 1 1 103 103 GLN CA C 13 55.771 0.4 . 1 . . . . 103 GLN CA . 6727 1 1089 . 1 1 103 103 GLN CB C 13 29.421 0.4 . 1 . . . . 103 GLN CB . 6727 1 1090 . 1 1 103 103 GLN CG C 13 33.679 0.4 . 1 . . . . 103 GLN CG . 6727 1 1091 . 1 1 103 103 GLN N N 15 120.106 0.4 . 1 . . . . 103 GLN N . 6727 1 1092 . 1 1 104 104 ASN H H 1 8.471 0.04 . 1 . . . . 104 ASN H . 6727 1 1093 . 1 1 104 104 ASN HA H 1 4.728 0.04 . 1 . . . . 104 ASN HA . 6727 1 1094 . 1 1 104 104 ASN HB2 H 1 2.806 0.04 . 2 . . . . 104 ASN HB2 . 6727 1 1095 . 1 1 104 104 ASN HB3 H 1 2.702 0.04 . 2 . . . . 104 ASN HB3 . 6727 1 1096 . 1 1 104 104 ASN C C 13 174.028 0.4 . 1 . . . . 104 ASN C . 6727 1 1097 . 1 1 104 104 ASN CA C 13 53.367 0.4 . 1 . . . . 104 ASN CA . 6727 1 1098 . 1 1 104 104 ASN CB C 13 38.698 0.4 . 1 . . . . 104 ASN CB . 6727 1 1099 . 1 1 104 104 ASN N N 15 120.106 0.4 . 1 . . . . 104 ASN N . 6727 1 1100 . 1 1 105 105 VAL H H 1 7.665 0.04 . 1 . . . . 105 VAL H . 6727 1 1101 . 1 1 105 105 VAL HA H 1 4.011 0.04 . 1 . . . . 105 VAL HA . 6727 1 1102 . 1 1 105 105 VAL HB H 1 2.05 0.04 . 1 . . . . 105 VAL HB . 6727 1 1103 . 1 1 105 105 VAL HG11 H 1 0.844 0.04 . 2 . . . . 105 VAL HG1 . 6727 1 1104 . 1 1 105 105 VAL HG12 H 1 0.844 0.04 . 2 . . . . 105 VAL HG1 . 6727 1 1105 . 1 1 105 105 VAL HG13 H 1 0.844 0.04 . 2 . . . . 105 VAL HG1 . 6727 1 1106 . 1 1 105 105 VAL HG21 H 1 0.819 0.04 . 2 . . . . 105 VAL HG2 . 6727 1 1107 . 1 1 105 105 VAL HG22 H 1 0.819 0.04 . 2 . . . . 105 VAL HG2 . 6727 1 1108 . 1 1 105 105 VAL HG23 H 1 0.819 0.04 . 2 . . . . 105 VAL HG2 . 6727 1 1109 . 1 1 105 105 VAL C C 13 180.889 0.4 . 1 . . . . 105 VAL C . 6727 1 1110 . 1 1 105 105 VAL CA C 13 63.657 0.4 . 1 . . . . 105 VAL CA . 6727 1 1111 . 1 1 105 105 VAL CB C 13 32.801 0.4 . 1 . . . . 105 VAL CB . 6727 1 1112 . 1 1 105 105 VAL CG1 C 13 21.239 0.4 . 2 . . . . 105 VAL CG1 . 6727 1 1113 . 1 1 105 105 VAL CG2 C 13 19.609 0.4 . 2 . . . . 105 VAL CG2 . 6727 1 1114 . 1 1 105 105 VAL N N 15 123.534 0.4 . 1 . . . . 105 VAL N . 6727 1 stop_ save_