data_18982 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18982 _Entry.Title ; Transcriptional regulatory protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-01-28 _Entry.Accession_date 2013-01-28 _Entry.Last_release_date 2013-12-09 _Entry.Original_release_date 2013-12-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Cesira 'de Chiara' . . . 18982 2 Geoff Kelly . . . 18982 3 Annalisa Pastore . . . 18982 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18982 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Ataxin-1 AXH/CIC complex' . 18982 protein/protein . 18982 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18982 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 390 18982 '15N chemical shifts' 124 18982 '1H chemical shifts' 906 18982 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 . . 2013-12-09 2013-01-28 original author . 18982 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1OA8 'X-Ray structure of free ataxin-1 AXH domain' 18982 PDB 1V06 'Solution structure of the homologous AXH domain from transcription factor HBP1' 18982 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18982 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24155902 _Citation.Full_citation . _Citation.Title 'Protein-Protein Interactions as a Strategy towards Protein-Specific Drug Design: The Example of Ataxin-1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full . _Citation.Journal_volume 8 _Citation.Journal_issue 10 _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 e76456 _Citation.Page_last e76456 _Citation.Year 2013 _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 Cesira 'de Chiara' . . . 18982 1 2 Rajesh Menon . P. . 18982 1 3 Geoff Kelly . . . 18982 1 4 Annalisa Pastore . . . 18982 1 stop_ save_ save_Citation_2 _Citation.Sf_category citations _Citation.Sf_framecode Citation_2 _Citation.Entry_ID 18982 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title '1H,13C, and 15N resonance assignment of the ataxin-1 AXH domain in complex with CIC ligand peptide' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Cesira 'de Chiara' . . . 18982 2 2 Geoff Kelly . . . 18982 2 3 Annalisa Pastore . . . 18982 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18982 _Assembly.ID 1 _Assembly.Name CIC_polypeptid _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 15471.7 _Assembly.Enzyme_commission_number . _Assembly.Details 'Complex between ataxin-1 AXH domain and a ligand-peptide from CIC' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CIC_polypeptide 1 $CIC_polypeptide A . yes native no no . . . 18982 1 2 Ataxin-1_AXH 2 $Ataxin-1_AXH B . yes native no no . . . 18982 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1OA8 . . X-ray . . 'Free ataxin-1 AXH domain' 18982 1 yes PDB 1V06 . . 'solution NMR' . . 'Homologous AXH domain from transcription factor HBP1' 18982 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Modulation of transcriptional repression of specific genes' 18982 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CIC_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode CIC_polypeptide _Entity.Entry_ID 18982 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CIC_polypeptide _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code VFPWHSLVPFLAPSQ _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 15 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Ataxin-1-binding linear motif' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1726.026 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q96RK0 . "Capicua homologue" . . . . . . . . . . . . . . 18982 1 2 no PDB 2M41 . "Solution Structure Of The Axh Domain Of Ataxin-1 In Complex With Ligand Peptide From Capicua" . . . . . 100.00 15 100.00 100.00 1.79e+00 . . . . 18982 1 3 no PDB 4J2J . "Crystal Structure Of Axh Domain Complex With Capicua" . . . . . 100.00 21 100.00 100.00 1.31e+00 . . . . 18982 1 4 no PDB 4J2L . "Crystal Structure Of Axh Domain Complexed With Capicua" . . . . . 100.00 28 100.00 100.00 1.22e+00 . . . . 18982 1 5 no DBJ BAE27813 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1604 100.00 100.00 2.12e+00 . . . . 18982 1 6 no DBJ BAE27978 . "unnamed protein product [Mus musculus]" . . . . . 100.00 2510 100.00 100.00 2.16e+00 . . . . 18982 1 7 no DBJ BAI45609 . "capicua homolog [synthetic construct]" . . . . . 100.00 1608 100.00 100.00 2.16e+00 . . . . 18982 1 8 no DBJ BAP18650 . "CIC-FOXO4 fusion protein [Homo sapiens]" . . . . . 100.00 1756 100.00 100.00 2.26e+00 . . . . 18982 1 9 no GB AAI40444 . "Capicua homolog (Drosophila), partial [synthetic construct]" . . . . . 100.00 1608 100.00 100.00 2.16e+00 . . . . 18982 1 10 no GB AAI52805 . "Capicua homolog (Drosophila), partial [synthetic construct]" . . . . . 100.00 1606 100.00 100.00 2.12e+00 . . . . 18982 1 11 no GB AAK73515 . "capicua protein [Homo sapiens]" . . . . . 100.00 1608 100.00 100.00 2.16e+00 . . . . 18982 1 12 no GB AAK73516 . "capicua protein [Mus musculus]" . . . . . 100.00 1606 100.00 100.00 2.12e+00 . . . . 18982 1 13 no GB ABD61704 . "capicua-like protein/double homeodomain 4 fusion protein [Homo sapiens]" . . . . . 100.00 1669 100.00 100.00 2.13e+00 . . . . 18982 1 14 no REF NP_001289740 . "protein capicua homolog isoform CIC-L [Mus musculus]" . . . . . 100.00 2510 100.00 100.00 2.16e+00 . . . . 18982 1 15 no REF NP_001291744 . "protein capicua homolog isoform CIC-L [Homo sapiens]" . . . . . 100.00 2517 100.00 100.00 2.23e+00 . . . . 18982 1 16 no REF NP_055940 . "protein capicua homolog isoform CIC-S [Homo sapiens]" . . . . . 100.00 1608 100.00 100.00 2.16e+00 . . . . 18982 1 17 no REF NP_082158 . "protein capicua homolog isoform CIC-S [Mus musculus]" . . . . . 100.00 1604 100.00 100.00 2.12e+00 . . . . 18982 1 18 no REF XP_001153776 . "PREDICTED: protein capicua homolog isoform X2 [Pan troglodytes]" . . . . . 100.00 1608 100.00 100.00 2.16e+00 . . . . 18982 1 19 no SP Q924A2 . "RecName: Full=Protein capicua homolog" . . . . . 100.00 2510 100.00 100.00 2.16e+00 . . . . 18982 1 20 no SP Q96RK0 . "RecName: Full=Protein capicua homolog" . . . . . 100.00 1608 100.00 100.00 2.16e+00 . . . . 18982 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 34 VAL . 18982 1 2 35 PHE . 18982 1 3 36 PRO . 18982 1 4 37 TRP . 18982 1 5 38 HIS . 18982 1 6 39 SER . 18982 1 7 40 LEU . 18982 1 8 41 VAL . 18982 1 9 42 PRO . 18982 1 10 43 PHE . 18982 1 11 44 LEU . 18982 1 12 45 ALA . 18982 1 13 46 PRO . 18982 1 14 47 SER . 18982 1 15 48 GLN . 18982 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 . VAL 1 1 18982 1 . PHE 2 2 18982 1 . PRO 3 3 18982 1 . TRP 4 4 18982 1 . HIS 5 5 18982 1 . SER 6 6 18982 1 . LEU 7 7 18982 1 . VAL 8 8 18982 1 . PRO 9 9 18982 1 . PHE 10 10 18982 1 . LEU 11 11 18982 1 . ALA 12 12 18982 1 . PRO 13 13 18982 1 . SER 14 14 18982 1 . GLN 15 15 18982 1 stop_ save_ save_Ataxin-1_AXH _Entity.Sf_category entity _Entity.Sf_framecode Ataxin-1_AXH _Entity.Entry_ID 18982 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Ataxin-1_AXH _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMAPPTLPPYFMKGSIIQL ANGELKKVEDLKTEDFIQSA EISNDLKIDSSTVERIEDSH SPGVAVIQFAVGEHRAQVSV EVLVEYPFFVFGQGWSSCCP ERTSQLFDLPCSKLSVGDVC ISLTLK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Sequence numbering: P54253 +1' _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'AXH domain, native residues A567-K689' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13517.461 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 yes UNP P54253 . ATX1 . . . . . . . . . . . . . . 18982 2 2 no PDB 1OA8 . "Axh Domain Of Human Spinocerebellar Ataxin-1" . . . . . 99.21 133 99.20 99.20 5.22e-84 . . . . 18982 2 3 no PDB 2M41 . "Solution Structure Of The Axh Domain Of Ataxin-1 In Complex With Ligand Peptide From Capicua" . . . . . 100.00 126 100.00 100.00 5.75e-86 . . . . 18982 2 4 no PDB 4APT . "The Structure Of The Axh Domain Of Ataxin-1." . . . . . 100.00 126 100.00 100.00 5.75e-86 . . . . 18982 2 5 no PDB 4AQP . "The Structure Of The Axh Domain Of Ataxin-1." . . . . . 100.00 126 100.00 100.00 5.75e-86 . . . . 18982 2 6 no PDB 4J2L . "Crystal Structure Of Axh Domain Complexed With Capicua" . . . . . 99.21 129 99.20 99.20 7.09e-84 . . . . 18982 2 7 no DBJ BAC33290 . "unnamed protein product [Mus musculus]" . . . . . 97.62 791 98.37 99.19 3.30e-77 . . . . 18982 2 8 no EMBL CAA55793 . "ataxin-1 [Homo sapiens]" . . . . . 99.21 816 99.20 99.20 6.14e-80 . . . . 18982 2 9 no EMBL CAA58533 . "ataxin-1 [Mus musculus]" . . . . . 97.62 792 97.56 98.37 3.13e-76 . . . . 18982 2 10 no EMBL CAA62822 . "sca1 [Rattus norvegicus]" . . . . . 99.21 789 98.40 98.40 1.93e-78 . . . . 18982 2 11 no GB AAH58178 . "Atxn1 protein [Mus musculus]" . . . . . 97.62 791 98.37 99.19 3.30e-77 . . . . 18982 2 12 no GB AAI17126 . "Ataxin 1 [Homo sapiens]" . . . . . 99.21 815 99.20 99.20 5.93e-80 . . . . 18982 2 13 no GB ADR83271 . "ataxin 1 (ATXN1), transcript variant 2 [synthetic construct]" . . . . . 99.21 815 99.20 99.20 5.93e-80 . . . . 18982 2 14 no GB AIC49678 . "ATXN1, partial [synthetic construct]" . . . . . 99.21 815 99.20 99.20 5.93e-80 . . . . 18982 2 15 no GB EAW55372 . "ataxin 1, isoform CRA_c [Homo sapiens]" . . . . . 99.21 540 99.20 99.20 2.63e-81 . . . . 18982 2 16 no PRF 2210312A . "rsca1 gene" . . . . . 99.21 789 98.40 98.40 1.93e-78 . . . . 18982 2 17 no REF NP_000323 . "ataxin-1 [Homo sapiens]" . . . . . 99.21 815 99.20 99.20 5.93e-80 . . . . 18982 2 18 no REF NP_001121636 . "ataxin-1 [Homo sapiens]" . . . . . 99.21 815 99.20 99.20 5.93e-80 . . . . 18982 2 19 no REF NP_001186233 . "ataxin-1 isoform b [Mus musculus]" . . . . . 97.62 791 98.37 99.19 3.30e-77 . . . . 18982 2 20 no REF NP_033150 . "ataxin-1 isoform b [Mus musculus]" . . . . . 97.62 791 98.37 99.19 3.30e-77 . . . . 18982 2 21 no REF NP_036858 . "ataxin-1 [Rattus norvegicus]" . . . . . 99.21 789 98.40 98.40 1.93e-78 . . . . 18982 2 22 no SP P54253 . "RecName: Full=Ataxin-1; AltName: Full=Spinocerebellar ataxia type 1 protein [Homo sapiens]" . . . . . 99.21 815 99.20 99.20 5.93e-80 . . . . 18982 2 23 no SP P54254 . "RecName: Full=Ataxin-1; AltName: Full=Spinocerebellar ataxia type 1 protein homolog [Mus musculus]" . . . . . 97.62 791 98.37 99.19 3.30e-77 . . . . 18982 2 24 no SP Q63540 . "RecName: Full=Ataxin-1; AltName: Full=Spinocerebellar ataxia type 1 protein homolog [Rattus norvegicus]" . . . . . 99.21 789 98.40 98.40 1.93e-78 . . . . 18982 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 564 GLY . 18982 2 2 565 ALA . 18982 2 3 566 MET . 18982 2 4 567 ALA . 18982 2 5 568 PRO . 18982 2 6 569 PRO . 18982 2 7 570 THR . 18982 2 8 571 LEU . 18982 2 9 572 PRO . 18982 2 10 573 PRO . 18982 2 11 574 TYR . 18982 2 12 575 PHE . 18982 2 13 576 MET . 18982 2 14 577 LYS . 18982 2 15 578 GLY . 18982 2 16 579 SER . 18982 2 17 580 ILE . 18982 2 18 581 ILE . 18982 2 19 582 GLN . 18982 2 20 583 LEU . 18982 2 21 584 ALA . 18982 2 22 585 ASN . 18982 2 23 586 GLY . 18982 2 24 587 GLU . 18982 2 25 588 LEU . 18982 2 26 589 LYS . 18982 2 27 590 LYS . 18982 2 28 591 VAL . 18982 2 29 592 GLU . 18982 2 30 593 ASP . 18982 2 31 594 LEU . 18982 2 32 595 LYS . 18982 2 33 596 THR . 18982 2 34 597 GLU . 18982 2 35 598 ASP . 18982 2 36 599 PHE . 18982 2 37 600 ILE . 18982 2 38 601 GLN . 18982 2 39 602 SER . 18982 2 40 603 ALA . 18982 2 41 604 GLU . 18982 2 42 605 ILE . 18982 2 43 606 SER . 18982 2 44 607 ASN . 18982 2 45 608 ASP . 18982 2 46 609 LEU . 18982 2 47 610 LYS . 18982 2 48 611 ILE . 18982 2 49 612 ASP . 18982 2 50 613 SER . 18982 2 51 614 SER . 18982 2 52 615 THR . 18982 2 53 616 VAL . 18982 2 54 617 GLU . 18982 2 55 618 ARG . 18982 2 56 619 ILE . 18982 2 57 620 GLU . 18982 2 58 621 ASP . 18982 2 59 622 SER . 18982 2 60 623 HIS . 18982 2 61 624 SER . 18982 2 62 625 PRO . 18982 2 63 626 GLY . 18982 2 64 627 VAL . 18982 2 65 628 ALA . 18982 2 66 629 VAL . 18982 2 67 630 ILE . 18982 2 68 631 GLN . 18982 2 69 632 PHE . 18982 2 70 633 ALA . 18982 2 71 634 VAL . 18982 2 72 635 GLY . 18982 2 73 636 GLU . 18982 2 74 637 HIS . 18982 2 75 638 ARG . 18982 2 76 639 ALA . 18982 2 77 640 GLN . 18982 2 78 641 VAL . 18982 2 79 642 SER . 18982 2 80 643 VAL . 18982 2 81 644 GLU . 18982 2 82 645 VAL . 18982 2 83 646 LEU . 18982 2 84 647 VAL . 18982 2 85 648 GLU . 18982 2 86 649 TYR . 18982 2 87 650 PRO . 18982 2 88 651 PHE . 18982 2 89 652 PHE . 18982 2 90 653 VAL . 18982 2 91 654 PHE . 18982 2 92 655 GLY . 18982 2 93 656 GLN . 18982 2 94 657 GLY . 18982 2 95 658 TRP . 18982 2 96 659 SER . 18982 2 97 660 SER . 18982 2 98 661 CYS . 18982 2 99 662 CYS . 18982 2 100 663 PRO . 18982 2 101 664 GLU . 18982 2 102 665 ARG . 18982 2 103 666 THR . 18982 2 104 667 SER . 18982 2 105 668 GLN . 18982 2 106 669 LEU . 18982 2 107 670 PHE . 18982 2 108 671 ASP . 18982 2 109 672 LEU . 18982 2 110 673 PRO . 18982 2 111 674 CYS . 18982 2 112 675 SER . 18982 2 113 676 LYS . 18982 2 114 677 LEU . 18982 2 115 678 SER . 18982 2 116 679 VAL . 18982 2 117 680 GLY . 18982 2 118 681 ASP . 18982 2 119 682 VAL . 18982 2 120 683 CYS . 18982 2 121 684 ILE . 18982 2 122 685 SER . 18982 2 123 686 LEU . 18982 2 124 687 THR . 18982 2 125 688 LEU . 18982 2 126 689 LYS . 18982 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18982 2 . ALA 2 2 18982 2 . MET 3 3 18982 2 . ALA 4 4 18982 2 . PRO 5 5 18982 2 . PRO 6 6 18982 2 . THR 7 7 18982 2 . LEU 8 8 18982 2 . PRO 9 9 18982 2 . PRO 10 10 18982 2 . TYR 11 11 18982 2 . PHE 12 12 18982 2 . MET 13 13 18982 2 . LYS 14 14 18982 2 . GLY 15 15 18982 2 . SER 16 16 18982 2 . ILE 17 17 18982 2 . ILE 18 18 18982 2 . GLN 19 19 18982 2 . LEU 20 20 18982 2 . ALA 21 21 18982 2 . ASN 22 22 18982 2 . GLY 23 23 18982 2 . GLU 24 24 18982 2 . LEU 25 25 18982 2 . LYS 26 26 18982 2 . LYS 27 27 18982 2 . VAL 28 28 18982 2 . GLU 29 29 18982 2 . ASP 30 30 18982 2 . LEU 31 31 18982 2 . LYS 32 32 18982 2 . THR 33 33 18982 2 . GLU 34 34 18982 2 . ASP 35 35 18982 2 . PHE 36 36 18982 2 . ILE 37 37 18982 2 . GLN 38 38 18982 2 . SER 39 39 18982 2 . ALA 40 40 18982 2 . GLU 41 41 18982 2 . ILE 42 42 18982 2 . SER 43 43 18982 2 . ASN 44 44 18982 2 . ASP 45 45 18982 2 . LEU 46 46 18982 2 . LYS 47 47 18982 2 . ILE 48 48 18982 2 . ASP 49 49 18982 2 . SER 50 50 18982 2 . SER 51 51 18982 2 . THR 52 52 18982 2 . VAL 53 53 18982 2 . GLU 54 54 18982 2 . ARG 55 55 18982 2 . ILE 56 56 18982 2 . GLU 57 57 18982 2 . ASP 58 58 18982 2 . SER 59 59 18982 2 . HIS 60 60 18982 2 . SER 61 61 18982 2 . PRO 62 62 18982 2 . GLY 63 63 18982 2 . VAL 64 64 18982 2 . ALA 65 65 18982 2 . VAL 66 66 18982 2 . ILE 67 67 18982 2 . GLN 68 68 18982 2 . PHE 69 69 18982 2 . ALA 70 70 18982 2 . VAL 71 71 18982 2 . GLY 72 72 18982 2 . GLU 73 73 18982 2 . HIS 74 74 18982 2 . ARG 75 75 18982 2 . ALA 76 76 18982 2 . GLN 77 77 18982 2 . VAL 78 78 18982 2 . SER 79 79 18982 2 . VAL 80 80 18982 2 . GLU 81 81 18982 2 . VAL 82 82 18982 2 . LEU 83 83 18982 2 . VAL 84 84 18982 2 . GLU 85 85 18982 2 . TYR 86 86 18982 2 . PRO 87 87 18982 2 . PHE 88 88 18982 2 . PHE 89 89 18982 2 . VAL 90 90 18982 2 . PHE 91 91 18982 2 . GLY 92 92 18982 2 . GLN 93 93 18982 2 . GLY 94 94 18982 2 . TRP 95 95 18982 2 . SER 96 96 18982 2 . SER 97 97 18982 2 . CYS 98 98 18982 2 . CYS 99 99 18982 2 . PRO 100 100 18982 2 . GLU 101 101 18982 2 . ARG 102 102 18982 2 . THR 103 103 18982 2 . SER 104 104 18982 2 . GLN 105 105 18982 2 . LEU 106 106 18982 2 . PHE 107 107 18982 2 . ASP 108 108 18982 2 . LEU 109 109 18982 2 . PRO 110 110 18982 2 . CYS 111 111 18982 2 . SER 112 112 18982 2 . LYS 113 113 18982 2 . LEU 114 114 18982 2 . SER 115 115 18982 2 . VAL 116 116 18982 2 . GLY 117 117 18982 2 . ASP 118 118 18982 2 . VAL 119 119 18982 2 . CYS 120 120 18982 2 . ILE 121 121 18982 2 . SER 122 122 18982 2 . LEU 123 123 18982 2 . THR 124 124 18982 2 . LEU 125 125 18982 2 . LYS 126 126 18982 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18982 _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 $CIC_polypeptide . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18982 1 2 2 $Ataxin-1_AXH . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18982 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 18982 _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 $CIC_polypeptide . 'chemical synthesis' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . n/a . . . . . . 18982 1 2 2 $Ataxin-1_AXH . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PET24D . . . . . . 18982 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18982 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ataxin-1 AXH domain' '[U-100% 13C; U-100% 15N]' . . 1 $CIC_polypeptide . . 0.5 . . mM . . . . 18982 1 2 'CIC polypeptide' 'natural abundance' . . 2 $Ataxin-1_AXH . . 0.6 . . mM . . . . 18982 1 3 H2O 'natural abundance' . . . . . . 90 . . mM . . . . 18982 1 4 D2O 'natural abundance' . . . . . . 10 . . mM . . . . 18982 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18982 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ataxin-1 AXH domain' '[U-100% 15N]' . . 1 $CIC_polypeptide . . 0.5 . . mM . . . . 18982 2 2 'CIC polypeptide' 'natural abundance' . . 2 $Ataxin-1_AXH . . 0.6 . . mM . . . . 18982 2 3 H2O 'natural abundance' . . . . . . 90 . . mM . . . . 18982 2 4 D2O 'natural abundance' . . . . . . 10 . . mM . . . . 18982 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18982 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 18982 1 pH 6.8 . pH 18982 1 pressure 1 . atm 18982 1 temperature 310 . K 18982 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18982 _Software.ID 1 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18982 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated NOEs assignment' 18982 1 refinement 18982 1 'structure solution' 18982 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18982 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 18982 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18982 2 'peak picking' 18982 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18982 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18982 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18982 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18982 _Software.ID 4 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18982 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18982 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18982 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18982 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18982 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 18982 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18982 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 "Triple resonance 'cold-probe'-equipped" . . 18982 1 2 spectrometer_2 Bruker Avance . 700 "Triple resonance 'cryo-probe'-equipped" . . 18982 1 3 spectrometer_3 Bruker Avance . 600 "Triple resonance 'cryo-probe'-equipped" . . 18982 1 4 spectrometer_4 Varian INOVA . 600 'Triple resonance probe' . . 18982 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18982 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18982 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18982 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18982 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18982 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18982 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18982 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18982 1 8 '3D 15N-13C-filtered, 15N-13C-edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18982 1 9 '2D 15N-13C-rejected NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18982 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18982 1 11 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18982 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18982 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 0.0 internal indirect 0.251449530 . . . . . . . . . 18982 1 H 1 water protons . . . . ppm 4.754 internal direct 1 . . . . . . . . . 18982 1 N 15 water protons . . . . ppm 0.0 internal indirect 0.101329118 . . . . . . . . . 18982 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18982 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 18982 1 3 '3D 1H-13C NOESY' . . . 18982 1 4 '3D HCCH-TOCSY' . . . 18982 1 6 '3D HNCA' . . . 18982 1 11 '3D HNCACB' . . . 18982 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 . 2 2 4 4 ALA H H 1 8.240 0.002 . 1 . . . B 567 ALA H . 18982 1 2 . 2 2 4 4 ALA HA H 1 4.594 0.002 . 1 . . . B 567 ALA HA . 18982 1 3 . 2 2 4 4 ALA HB1 H 1 1.307 0.002 . 1 . . . B 567 ALA HB1 . 18982 1 4 . 2 2 4 4 ALA HB2 H 1 1.307 0.002 . 1 . . . B 567 ALA HB2 . 18982 1 5 . 2 2 4 4 ALA HB3 H 1 1.307 0.002 . 1 . . . B 567 ALA HB3 . 18982 1 6 . 2 2 4 4 ALA CA C 13 50.310 0.002 . 1 . . . B 567 ALA CA . 18982 1 7 . 2 2 4 4 ALA CB C 13 18.205 0.002 . 1 . . . B 567 ALA CB . 18982 1 8 . 2 2 4 4 ALA N N 15 126.332 0.002 . 1 . . . B 567 ALA N . 18982 1 9 . 2 2 5 5 PRO HA H 1 4.696 0.002 . 1 . . . B 568 PRO HA . 18982 1 10 . 2 2 5 5 PRO HB2 H 1 2.318 0.002 . 1 . . . B 568 PRO HB2 . 18982 1 11 . 2 2 5 5 PRO HB3 H 1 1.916 0.002 . 1 . . . B 568 PRO HB3 . 18982 1 12 . 2 2 5 5 PRO HG2 H 1 1.969 0.002 . 1 . . . B 568 PRO HG2 . 18982 1 13 . 2 2 5 5 PRO HG3 H 1 1.969 0.002 . 1 . . . B 568 PRO HG3 . 18982 1 14 . 2 2 5 5 PRO HD2 H 1 3.778 0.002 . 1 . . . B 568 PRO HD2 . 18982 1 15 . 2 2 5 5 PRO HD3 H 1 3.572 0.002 . 1 . . . B 568 PRO HD3 . 18982 1 16 . 2 2 5 5 PRO CB C 13 30.925 0.002 . 1 . . . B 568 PRO CB . 18982 1 17 . 2 2 5 5 PRO CG C 13 27.337 0.002 . 1 . . . B 568 PRO CG . 18982 1 18 . 2 2 5 5 PRO CD C 13 50.310 0.002 . 1 . . . B 568 PRO CD . 18982 1 19 . 2 2 6 6 PRO HA H 1 4.497 0.002 . 1 . . . B 569 PRO HA . 18982 1 20 . 2 2 6 6 PRO HB2 H 1 2.299 0.002 . 1 . . . B 569 PRO HB2 . 18982 1 21 . 2 2 6 6 PRO HB3 H 1 1.947 0.002 . 1 . . . B 569 PRO HB3 . 18982 1 22 . 2 2 6 6 PRO HD2 H 1 3.805 0.002 . 1 . . . B 569 PRO HD2 . 18982 1 23 . 2 2 6 6 PRO HD3 H 1 3.630 0.002 . 1 . . . B 569 PRO HD3 . 18982 1 24 . 2 2 6 6 PRO CA C 13 63.169 0.002 . 1 . . . B 569 PRO CA . 18982 1 25 . 2 2 6 6 PRO CB C 13 32.075 0.002 . 1 . . . B 569 PRO CB . 18982 1 26 . 2 2 6 6 PRO CD C 13 50.310 0.002 . 1 . . . B 569 PRO CD . 18982 1 27 . 2 2 7 7 THR H H 1 7.896 0.002 . 1 . . . B 570 THR H . 18982 1 28 . 2 2 7 7 THR HA H 1 4.341 0.002 . 1 . . . B 570 THR HA . 18982 1 29 . 2 2 7 7 THR HB H 1 4.133 0.002 . 1 . . . B 570 THR HB . 18982 1 30 . 2 2 7 7 THR HG21 H 1 1.171 0.002 . 1 . . . B 570 THR HG21 . 18982 1 31 . 2 2 7 7 THR HG22 H 1 1.171 0.002 . 1 . . . B 570 THR HG22 . 18982 1 32 . 2 2 7 7 THR HG23 H 1 1.171 0.002 . 1 . . . B 570 THR HG23 . 18982 1 33 . 2 2 7 7 THR CA C 13 61.240 0.002 . 1 . . . B 570 THR CA . 18982 1 34 . 2 2 7 7 THR CB C 13 70.564 0.002 . 1 . . . B 570 THR CB . 18982 1 35 . 2 2 7 7 THR CG2 C 13 21.793 0.002 . 1 . . . B 570 THR CG2 . 18982 1 36 . 2 2 7 7 THR N N 15 112.590 0.002 . 1 . . . B 570 THR N . 18982 1 37 . 2 2 8 8 LEU H H 1 8.346 0.002 . 1 . . . B 571 LEU H . 18982 1 38 . 2 2 8 8 LEU HA H 1 4.737 0.002 . 1 . . . B 571 LEU HA . 18982 1 39 . 2 2 8 8 LEU HB2 H 1 1.599 0.002 . 1 . . . B 571 LEU HB2 . 18982 1 40 . 2 2 8 8 LEU HB3 H 1 1.528 0.002 . 1 . . . B 571 LEU HB3 . 18982 1 41 . 2 2 8 8 LEU HD11 H 1 0.789 0.002 . 1 . . . B 571 LEU HD11 . 18982 1 42 . 2 2 8 8 LEU HD12 H 1 0.789 0.002 . 1 . . . B 571 LEU HD12 . 18982 1 43 . 2 2 8 8 LEU HD13 H 1 0.789 0.002 . 1 . . . B 571 LEU HD13 . 18982 1 44 . 2 2 8 8 LEU HD21 H 1 0.878 0.002 . 1 . . . B 571 LEU HD21 . 18982 1 45 . 2 2 8 8 LEU HD22 H 1 0.878 0.002 . 1 . . . B 571 LEU HD22 . 18982 1 46 . 2 2 8 8 LEU HD23 H 1 0.878 0.002 . 1 . . . B 571 LEU HD23 . 18982 1 47 . 2 2 8 8 LEU CB C 13 42.363 0.002 . 1 . . . B 571 LEU CB . 18982 1 48 . 2 2 8 8 LEU CD1 C 13 26.033 0.002 . 1 . . . B 571 LEU CD1 . 18982 1 49 . 2 2 8 8 LEU CD2 C 13 24.728 0.002 . 1 . . . B 571 LEU CD2 . 18982 1 50 . 2 2 8 8 LEU N N 15 124.380 0.002 . 1 . . . B 571 LEU N . 18982 1 51 . 2 2 9 9 PRO HA H 1 4.435 0.002 . 1 . . . B 572 PRO HA . 18982 1 52 . 2 2 9 9 PRO HB2 H 1 1.772 0.002 . 1 . . . B 572 PRO HB2 . 18982 1 53 . 2 2 9 9 PRO HB3 H 1 0.561 0.002 . 1 . . . B 572 PRO HB3 . 18982 1 54 . 2 2 9 9 PRO HG2 H 1 2.009 0.002 . 1 . . . B 572 PRO HG2 . 18982 1 55 . 2 2 9 9 PRO HG3 H 1 1.860 0.002 . 1 . . . B 572 PRO HG3 . 18982 1 56 . 2 2 9 9 PRO HD2 H 1 4.138 0.002 . 1 . . . B 572 PRO HD2 . 18982 1 57 . 2 2 9 9 PRO HD3 H 1 3.532 0.002 . 1 . . . B 572 PRO HD3 . 18982 1 58 . 2 2 9 9 PRO CA C 13 60.597 0.002 . 1 . . . B 572 PRO CA . 18982 1 59 . 2 2 9 9 PRO CB C 13 31.111 0.002 . 1 . . . B 572 PRO CB . 18982 1 60 . 2 2 9 9 PRO CG C 13 27.896 0.002 . 1 . . . B 572 PRO CG . 18982 1 61 . 2 2 9 9 PRO CD C 13 50.310 0.002 . 1 . . . B 572 PRO CD . 18982 1 62 . 2 2 10 10 PRO HA H 1 4.318 0.002 . 1 . . . B 573 PRO HA . 18982 1 63 . 2 2 10 10 PRO HB2 H 1 2.193 0.002 . 1 . . . B 573 PRO HB2 . 18982 1 64 . 2 2 10 10 PRO HB3 H 1 1.942 0.002 . 1 . . . B 573 PRO HB3 . 18982 1 65 . 2 2 10 10 PRO HG2 H 1 2.097 0.002 . 1 . . . B 573 PRO HG2 . 18982 1 66 . 2 2 10 10 PRO HG3 H 1 1.555 0.002 . 1 . . . B 573 PRO HG3 . 18982 1 67 . 2 2 10 10 PRO HD2 H 1 3.534 0.002 . 1 . . . B 573 PRO HD2 . 18982 1 68 . 2 2 10 10 PRO HD3 H 1 3.106 0.002 . 1 . . . B 573 PRO HD3 . 18982 1 69 . 2 2 10 10 PRO CA C 13 63.491 0.002 . 1 . . . B 573 PRO CA . 18982 1 70 . 2 2 10 10 PRO CB C 13 31.754 0.002 . 1 . . . B 573 PRO CB . 18982 1 71 . 2 2 10 10 PRO CG C 13 27.011 0.002 . 1 . . . B 573 PRO CG . 18982 1 72 . 2 2 10 10 PRO CD C 13 49.988 0.002 . 1 . . . B 573 PRO CD . 18982 1 73 . 2 2 11 11 TYR H H 1 5.304 0.002 . 1 . . . B 574 TYR H . 18982 1 74 . 2 2 11 11 TYR HA H 1 3.605 0.002 . 1 . . . B 574 TYR HA . 18982 1 75 . 2 2 11 11 TYR HB2 H 1 1.902 0.002 . 1 . . . B 574 TYR HB2 . 18982 1 76 . 2 2 11 11 TYR HB3 H 1 1.020 0.002 . 1 . . . B 574 TYR HB3 . 18982 1 77 . 2 2 11 11 TYR HD1 H 1 5.660 0.002 . 1 . . . B 574 TYR HD1 . 18982 1 78 . 2 2 11 11 TYR HD2 H 1 5.660 0.002 . 1 . . . B 574 TYR HD2 . 18982 1 79 . 2 2 11 11 TYR HE1 H 1 6.405 0.002 . 1 . . . B 574 TYR HE1 . 18982 1 80 . 2 2 11 11 TYR HE2 H 1 6.405 0.002 . 1 . . . B 574 TYR HE2 . 18982 1 81 . 2 2 11 11 TYR CA C 13 55.132 0.002 . 1 . . . B 574 TYR CA . 18982 1 82 . 2 2 11 11 TYR CB C 13 35.290 0.002 . 1 . . . B 574 TYR CB . 18982 1 83 . 2 2 11 11 TYR CD2 C 13 132.574 0.002 . 1 . . . B 574 TYR CD2 . 18982 1 84 . 2 2 11 11 TYR CE2 C 13 118.902 0.002 . 1 . . . B 574 TYR CE2 . 18982 1 85 . 2 2 11 11 TYR N N 15 112.836 0.002 . 1 . . . B 574 TYR N . 18982 1 86 . 2 2 12 12 PHE H H 1 5.512 0.002 . 1 . . . B 575 PHE H . 18982 1 87 . 2 2 12 12 PHE HA H 1 4.098 0.002 . 1 . . . B 575 PHE HA . 18982 1 88 . 2 2 12 12 PHE HB2 H 1 2.115 0.002 . 1 . . . B 575 PHE HB2 . 18982 1 89 . 2 2 12 12 PHE HB3 H 1 0.779 0.002 . 1 . . . B 575 PHE HB3 . 18982 1 90 . 2 2 12 12 PHE HD1 H 1 6.042 0.002 . 1 . . . B 575 PHE HD1 . 18982 1 91 . 2 2 12 12 PHE HD2 H 1 6.042 0.002 . 1 . . . B 575 PHE HD2 . 18982 1 92 . 2 2 12 12 PHE HE1 H 1 6.880 0.002 . 1 . . . B 575 PHE HE1 . 18982 1 93 . 2 2 12 12 PHE HE2 H 1 6.880 0.002 . 1 . . . B 575 PHE HE2 . 18982 1 94 . 2 2 12 12 PHE HZ H 1 7.166 0.002 . 1 . . . B 575 PHE HZ . 18982 1 95 . 2 2 12 12 PHE CA C 13 56.418 0.002 . 1 . . . B 575 PHE CA . 18982 1 96 . 2 2 12 12 PHE CB C 13 38.184 0.002 . 1 . . . B 575 PHE CB . 18982 1 97 . 2 2 12 12 PHE CD1 C 13 129.566 0.002 . 1 . . . B 575 PHE CD1 . 18982 1 98 . 2 2 12 12 PHE CE1 C 13 131.754 0.002 . 1 . . . B 575 PHE CE1 . 18982 1 99 . 2 2 12 12 PHE CZ C 13 129.839 0.002 . 1 . . . B 575 PHE CZ . 18982 1 100 . 2 2 12 12 PHE N N 15 109.909 0.002 . 1 . . . B 575 PHE N . 18982 1 101 . 2 2 13 13 MET H H 1 6.796 0.002 . 1 . . . B 576 MET H . 18982 1 102 . 2 2 13 13 MET HA H 1 4.537 0.002 . 1 . . . B 576 MET HA . 18982 1 103 . 2 2 13 13 MET HB2 H 1 2.018 0.002 . 1 . . . B 576 MET HB2 . 18982 1 104 . 2 2 13 13 MET HB3 H 1 1.968 0.002 . 1 . . . B 576 MET HB3 . 18982 1 105 . 2 2 13 13 MET HG2 H 1 2.826 0.002 . 1 . . . B 576 MET HG2 . 18982 1 106 . 2 2 13 13 MET HG3 H 1 2.748 0.002 . 1 . . . B 576 MET HG3 . 18982 1 107 . 2 2 13 13 MET HE1 H 1 2.136 0.002 . 1 . . . B 576 MET HE1 . 18982 1 108 . 2 2 13 13 MET HE2 H 1 2.136 0.002 . 1 . . . B 576 MET HE2 . 18982 1 109 . 2 2 13 13 MET HE3 H 1 2.136 0.002 . 1 . . . B 576 MET HE3 . 18982 1 110 . 2 2 13 13 MET CA C 13 54.811 0.002 . 1 . . . B 576 MET CA . 18982 1 111 . 2 2 13 13 MET CB C 13 32.229 0.002 . 1 . . . B 576 MET CB . 18982 1 112 . 2 2 13 13 MET CG C 13 32.075 0.002 . 1 . . . B 576 MET CG . 18982 1 113 . 2 2 13 13 MET CE C 13 17.227 0.002 . 1 . . . B 576 MET CE . 18982 1 114 . 2 2 13 13 MET N N 15 113.672 0.002 . 1 . . . B 576 MET N . 18982 1 115 . 2 2 14 14 LYS H H 1 8.730 0.002 . 1 . . . B 577 LYS H . 18982 1 116 . 2 2 14 14 LYS HA H 1 3.795 0.002 . 1 . . . B 577 LYS HA . 18982 1 117 . 2 2 14 14 LYS HB2 H 1 2.117 0.002 . 1 . . . B 577 LYS HB2 . 18982 1 118 . 2 2 14 14 LYS HB3 H 1 1.684 0.002 . 1 . . . B 577 LYS HB3 . 18982 1 119 . 2 2 14 14 LYS HG2 H 1 1.337 0.002 . 1 . . . B 577 LYS HG2 . 18982 1 120 . 2 2 14 14 LYS HG3 H 1 1.225 0.002 . 1 . . . B 577 LYS HG3 . 18982 1 121 . 2 2 14 14 LYS HD2 H 1 2.035 0.002 . 1 . . . B 577 LYS HD2 . 18982 1 122 . 2 2 14 14 LYS HD3 H 1 1.760 0.002 . 1 . . . B 577 LYS HD3 . 18982 1 123 . 2 2 14 14 LYS HE2 H 1 2.984 0.002 . 1 . . . B 577 LYS HE2 . 18982 1 124 . 2 2 14 14 LYS HE3 H 1 2.984 0.002 . 1 . . . B 577 LYS HE3 . 18982 1 125 . 2 2 14 14 LYS CA C 13 58.990 0.002 . 1 . . . B 577 LYS CA . 18982 1 126 . 2 2 14 14 LYS CB C 13 32.718 0.002 . 1 . . . B 577 LYS CB . 18982 1 127 . 2 2 14 14 LYS CG C 13 25.967 0.002 . 1 . . . B 577 LYS CG . 18982 1 128 . 2 2 14 14 LYS CD C 13 29.182 0.002 . 1 . . . B 577 LYS CD . 18982 1 129 . 2 2 14 14 LYS CE C 13 42.666 0.002 . 1 . . . B 577 LYS CE . 18982 1 130 . 2 2 14 14 LYS N N 15 127.447 0.002 . 1 . . . B 577 LYS N . 18982 1 131 . 2 2 15 15 GLY H H 1 11.177 0.002 . 1 . . . B 578 GLY H . 18982 1 132 . 2 2 15 15 GLY HA2 H 1 4.359 0.002 . 1 . . . B 578 GLY HA2 . 18982 1 133 . 2 2 15 15 GLY HA3 H 1 3.603 0.002 . 1 . . . B 578 GLY HA3 . 18982 1 134 . 2 2 15 15 GLY CA C 13 44.622 0.002 . 1 . . . B 578 GLY CA . 18982 1 135 . 2 2 15 15 GLY N N 15 119.992 0.002 . 1 . . . B 578 GLY N . 18982 1 136 . 2 2 16 16 SER H H 1 8.334 0.002 . 1 . . . B 579 SER H . 18982 1 137 . 2 2 16 16 SER HA H 1 4.344 0.002 . 1 . . . B 579 SER HA . 18982 1 138 . 2 2 16 16 SER HB2 H 1 3.931 0.002 . 1 . . . B 579 SER HB2 . 18982 1 139 . 2 2 16 16 SER HB3 H 1 3.725 0.002 . 1 . . . B 579 SER HB3 . 18982 1 140 . 2 2 16 16 SER CA C 13 61.240 0.002 . 1 . . . B 579 SER CA . 18982 1 141 . 2 2 16 16 SER CB C 13 63.812 0.002 . 1 . . . B 579 SER CB . 18982 1 142 . 2 2 16 16 SER N N 15 118.781 0.002 . 1 . . . B 579 SER N . 18982 1 143 . 2 2 17 17 ILE H H 1 8.582 0.002 . 1 . . . B 580 ILE H . 18982 1 144 . 2 2 17 17 ILE HA H 1 4.072 0.002 . 1 . . . B 580 ILE HA . 18982 1 145 . 2 2 17 17 ILE HB H 1 1.874 0.002 . 1 . . . B 580 ILE HB . 18982 1 146 . 2 2 17 17 ILE HG12 H 1 1.599 0.002 . 1 . . . B 580 ILE HG12 . 18982 1 147 . 2 2 17 17 ILE HG13 H 1 1.367 0.002 . 1 . . . B 580 ILE HG13 . 18982 1 148 . 2 2 17 17 ILE HG21 H 1 0.800 0.002 . 1 . . . B 580 ILE HG21 . 18982 1 149 . 2 2 17 17 ILE HG22 H 1 0.800 0.002 . 1 . . . B 580 ILE HG22 . 18982 1 150 . 2 2 17 17 ILE HG23 H 1 0.800 0.002 . 1 . . . B 580 ILE HG23 . 18982 1 151 . 2 2 17 17 ILE HD11 H 1 0.718 0.002 . 1 . . . B 580 ILE HD11 . 18982 1 152 . 2 2 17 17 ILE HD12 H 1 0.718 0.002 . 1 . . . B 580 ILE HD12 . 18982 1 153 . 2 2 17 17 ILE HD13 H 1 0.718 0.002 . 1 . . . B 580 ILE HD13 . 18982 1 154 . 2 2 17 17 ILE CA C 13 60.597 0.002 . 1 . . . B 580 ILE CA . 18982 1 155 . 2 2 17 17 ILE CB C 13 36.576 0.002 . 1 . . . B 580 ILE CB . 18982 1 156 . 2 2 17 17 ILE CG1 C 13 26.610 0.002 . 1 . . . B 580 ILE CG1 . 18982 1 157 . 2 2 17 17 ILE CG2 C 13 20.180 0.002 . 1 . . . B 580 ILE CG2 . 18982 1 158 . 2 2 17 17 ILE CD1 C 13 10.857 0.002 . 1 . . . B 580 ILE CD1 . 18982 1 159 . 2 2 17 17 ILE N N 15 125.276 0.002 . 1 . . . B 580 ILE N . 18982 1 160 . 2 2 18 18 ILE H H 1 9.398 0.002 . 1 . . . B 581 ILE H . 18982 1 161 . 2 2 18 18 ILE HA H 1 4.990 0.002 . 1 . . . B 581 ILE HA . 18982 1 162 . 2 2 18 18 ILE HB H 1 2.187 0.002 . 1 . . . B 581 ILE HB . 18982 1 163 . 2 2 18 18 ILE HG12 H 1 1.975 0.002 . 1 . . . B 581 ILE HG12 . 18982 1 164 . 2 2 18 18 ILE HG13 H 1 1.239 0.002 . 1 . . . B 581 ILE HG13 . 18982 1 165 . 2 2 18 18 ILE HG21 H 1 0.756 0.002 . 1 . . . B 581 ILE HG21 . 18982 1 166 . 2 2 18 18 ILE HG22 H 1 0.756 0.002 . 1 . . . B 581 ILE HG22 . 18982 1 167 . 2 2 18 18 ILE HG23 H 1 0.756 0.002 . 1 . . . B 581 ILE HG23 . 18982 1 168 . 2 2 18 18 ILE HD11 H 1 0.727 0.002 . 1 . . . B 581 ILE HD11 . 18982 1 169 . 2 2 18 18 ILE HD12 H 1 0.727 0.002 . 1 . . . B 581 ILE HD12 . 18982 1 170 . 2 2 18 18 ILE HD13 H 1 0.727 0.002 . 1 . . . B 581 ILE HD13 . 18982 1 171 . 2 2 18 18 ILE CA C 13 55.775 0.002 . 1 . . . B 581 ILE CA . 18982 1 172 . 2 2 18 18 ILE CB C 13 36.898 0.002 . 1 . . . B 581 ILE CB . 18982 1 173 . 2 2 18 18 ILE CG1 C 13 26.289 0.002 . 1 . . . B 581 ILE CG1 . 18982 1 174 . 2 2 18 18 ILE CG2 C 13 17.287 0.002 . 1 . . . B 581 ILE CG2 . 18982 1 175 . 2 2 18 18 ILE CD1 C 13 9.893 0.002 . 1 . . . B 581 ILE CD1 . 18982 1 176 . 2 2 18 18 ILE N N 15 129.936 0.002 . 1 . . . B 581 ILE N . 18982 1 177 . 2 2 19 19 GLN H H 1 8.775 0.002 . 1 . . . B 582 GLN H . 18982 1 178 . 2 2 19 19 GLN HA H 1 4.950 0.002 . 1 . . . B 582 GLN HA . 18982 1 179 . 2 2 19 19 GLN HB2 H 1 1.954 0.002 . 1 . . . B 582 GLN HB2 . 18982 1 180 . 2 2 19 19 GLN HB3 H 1 1.467 0.002 . 1 . . . B 582 GLN HB3 . 18982 1 181 . 2 2 19 19 GLN HG2 H 1 2.503 0.002 . 1 . . . B 582 GLN HG2 . 18982 1 182 . 2 2 19 19 GLN HG3 H 1 1.970 0.002 . 1 . . . B 582 GLN HG3 . 18982 1 183 . 2 2 19 19 GLN HE21 H 1 7.564 0.002 . 1 . . . B 582 GLN HE21 . 18982 1 184 . 2 2 19 19 GLN HE22 H 1 6.754 0.002 . 1 . . . B 582 GLN HE22 . 18982 1 185 . 2 2 19 19 GLN CB C 13 30.789 0.002 . 1 . . . B 582 GLN CB . 18982 1 186 . 2 2 19 19 GLN CG C 13 33.860 0.002 . 1 . . . B 582 GLN CG . 18982 1 187 . 2 2 19 19 GLN N N 15 125.774 0.002 . 1 . . . B 582 GLN N . 18982 1 188 . 2 2 19 19 GLN NE2 N 15 112.128 0.002 . 1 . . . B 582 GLN NE2 . 18982 1 189 . 2 2 20 20 LEU H H 1 9.087 0.002 . 1 . . . B 583 LEU H . 18982 1 190 . 2 2 20 20 LEU HA H 1 4.206 0.002 . 1 . . . B 583 LEU HA . 18982 1 191 . 2 2 20 20 LEU HB2 H 1 1.901 0.002 . 1 . . . B 583 LEU HB2 . 18982 1 192 . 2 2 20 20 LEU HB3 H 1 1.303 0.002 . 1 . . . B 583 LEU HB3 . 18982 1 193 . 2 2 20 20 LEU HG H 1 1.472 0.002 . 1 . . . B 583 LEU HG . 18982 1 194 . 2 2 20 20 LEU HD11 H 1 0.614 0.002 . 1 . . . B 583 LEU HD11 . 18982 1 195 . 2 2 20 20 LEU HD12 H 1 0.614 0.002 . 1 . . . B 583 LEU HD12 . 18982 1 196 . 2 2 20 20 LEU HD13 H 1 0.614 0.002 . 1 . . . B 583 LEU HD13 . 18982 1 197 . 2 2 20 20 LEU HD21 H 1 0.389 0.002 . 1 . . . B 583 LEU HD21 . 18982 1 198 . 2 2 20 20 LEU HD22 H 1 0.389 0.002 . 1 . . . B 583 LEU HD22 . 18982 1 199 . 2 2 20 20 LEU HD23 H 1 0.389 0.002 . 1 . . . B 583 LEU HD23 . 18982 1 200 . 2 2 20 20 LEU CA C 13 54.489 0.002 . 1 . . . B 583 LEU CA . 18982 1 201 . 2 2 20 20 LEU CB C 13 40.709 0.002 . 1 . . . B 583 LEU CB . 18982 1 202 . 2 2 20 20 LEU CG C 13 27.011 0.002 . 1 . . . B 583 LEU CG . 18982 1 203 . 2 2 20 20 LEU CD1 C 13 25.054 0.002 . 1 . . . B 583 LEU CD1 . 18982 1 204 . 2 2 20 20 LEU CD2 C 13 22.109 0.002 . 1 . . . B 583 LEU CD2 . 18982 1 205 . 2 2 20 20 LEU N N 15 128.922 0.002 . 1 . . . B 583 LEU N . 18982 1 206 . 2 2 21 21 ALA H H 1 7.180 0.002 . 1 . . . B 584 ALA H . 18982 1 207 . 2 2 21 21 ALA HA H 1 4.261 0.002 . 1 . . . B 584 ALA HA . 18982 1 208 . 2 2 21 21 ALA HB1 H 1 1.393 0.002 . 1 . . . B 584 ALA HB1 . 18982 1 209 . 2 2 21 21 ALA HB2 H 1 1.393 0.002 . 1 . . . B 584 ALA HB2 . 18982 1 210 . 2 2 21 21 ALA HB3 H 1 1.393 0.002 . 1 . . . B 584 ALA HB3 . 18982 1 211 . 2 2 21 21 ALA CA C 13 55.132 0.002 . 1 . . . B 584 ALA CA . 18982 1 212 . 2 2 21 21 ALA CB C 13 20.180 0.002 . 1 . . . B 584 ALA CB . 18982 1 213 . 2 2 21 21 ALA N N 15 121.554 0.002 . 1 . . . B 584 ALA N . 18982 1 214 . 2 2 22 22 ASN H H 1 7.867 0.002 . 1 . . . B 585 ASN H . 18982 1 215 . 2 2 22 22 ASN HA H 1 4.480 0.002 . 1 . . . B 585 ASN HA . 18982 1 216 . 2 2 22 22 ASN HB2 H 1 3.192 0.002 . 1 . . . B 585 ASN HB2 . 18982 1 217 . 2 2 22 22 ASN HB3 H 1 2.576 0.002 . 1 . . . B 585 ASN HB3 . 18982 1 218 . 2 2 22 22 ASN HD21 H 1 7.259 0.002 . 1 . . . B 585 ASN HD21 . 18982 1 219 . 2 2 22 22 ASN HD22 H 1 6.949 0.002 . 1 . . . B 585 ASN HD22 . 18982 1 220 . 2 2 22 22 ASN CA C 13 52.239 0.002 . 1 . . . B 585 ASN CA . 18982 1 221 . 2 2 22 22 ASN CB C 13 37.121 0.002 . 1 . . . B 585 ASN CB . 18982 1 222 . 2 2 22 22 ASN N N 15 112.742 0.002 . 1 . . . B 585 ASN N . 18982 1 223 . 2 2 22 22 ASN ND2 N 15 109.328 0.002 . 1 . . . B 585 ASN ND2 . 18982 1 224 . 2 2 23 23 GLY H H 1 7.915 0.002 . 1 . . . B 586 GLY H . 18982 1 225 . 2 2 23 23 GLY HA2 H 1 4.325 0.002 . 1 . . . B 586 GLY HA2 . 18982 1 226 . 2 2 23 23 GLY HA3 H 1 3.460 0.002 . 1 . . . B 586 GLY HA3 . 18982 1 227 . 2 2 23 23 GLY CA C 13 44.949 0.002 . 1 . . . B 586 GLY CA . 18982 1 228 . 2 2 23 23 GLY N N 15 107.970 0.002 . 1 . . . B 586 GLY N . 18982 1 229 . 2 2 24 24 GLU H H 1 7.677 0.002 . 1 . . . B 587 GLU H . 18982 1 230 . 2 2 24 24 GLU HA H 1 4.019 0.002 . 1 . . . B 587 GLU HA . 18982 1 231 . 2 2 24 24 GLU HB2 H 1 1.964 0.002 . 1 . . . B 587 GLU HB2 . 18982 1 232 . 2 2 24 24 GLU HB3 H 1 1.856 0.002 . 1 . . . B 587 GLU HB3 . 18982 1 233 . 2 2 24 24 GLU HG2 H 1 2.175 0.002 . 1 . . . B 587 GLU HG2 . 18982 1 234 . 2 2 24 24 GLU HG3 H 1 2.016 0.002 . 1 . . . B 587 GLU HG3 . 18982 1 235 . 2 2 24 24 GLU CA C 13 57.061 0.002 . 1 . . . B 587 GLU CA . 18982 1 236 . 2 2 24 24 GLU CB C 13 30.599 0.002 . 1 . . . B 587 GLU CB . 18982 1 237 . 2 2 24 24 GLU CG C 13 36.795 0.002 . 1 . . . B 587 GLU CG . 18982 1 238 . 2 2 24 24 GLU N N 15 121.800 0.002 . 1 . . . B 587 GLU N . 18982 1 239 . 2 2 25 25 LEU H H 1 8.184 0.002 . 1 . . . B 588 LEU H . 18982 1 240 . 2 2 25 25 LEU HA H 1 5.323 0.002 . 1 . . . B 588 LEU HA . 18982 1 241 . 2 2 25 25 LEU HB2 H 1 1.709 0.002 . 1 . . . B 588 LEU HB2 . 18982 1 242 . 2 2 25 25 LEU HB3 H 1 1.101 0.002 . 1 . . . B 588 LEU HB3 . 18982 1 243 . 2 2 25 25 LEU HG H 1 1.727 0.002 . 1 . . . B 588 LEU HG . 18982 1 244 . 2 2 25 25 LEU HD11 H 1 0.854 0.002 . 1 . . . B 588 LEU HD11 . 18982 1 245 . 2 2 25 25 LEU HD12 H 1 0.854 0.002 . 1 . . . B 588 LEU HD12 . 18982 1 246 . 2 2 25 25 LEU HD13 H 1 0.854 0.002 . 1 . . . B 588 LEU HD13 . 18982 1 247 . 2 2 25 25 LEU HD21 H 1 0.706 0.002 . 1 . . . B 588 LEU HD21 . 18982 1 248 . 2 2 25 25 LEU HD22 H 1 0.706 0.002 . 1 . . . B 588 LEU HD22 . 18982 1 249 . 2 2 25 25 LEU HD23 H 1 0.706 0.002 . 1 . . . B 588 LEU HD23 . 18982 1 250 . 2 2 25 25 LEU CA C 13 52.882 0.002 . 1 . . . B 588 LEU CA . 18982 1 251 . 2 2 25 25 LEU CB C 13 42.666 0.002 . 1 . . . B 588 LEU CB . 18982 1 252 . 2 2 25 25 LEU CG C 13 26.359 0.002 . 1 . . . B 588 LEU CG . 18982 1 253 . 2 2 25 25 LEU CD1 C 13 25.380 0.002 . 1 . . . B 588 LEU CD1 . 18982 1 254 . 2 2 25 25 LEU CD2 C 13 23.097 0.002 . 1 . . . B 588 LEU CD2 . 18982 1 255 . 2 2 25 25 LEU N N 15 121.539 0.002 . 1 . . . B 588 LEU N . 18982 1 256 . 2 2 26 26 LYS H H 1 9.189 0.002 . 1 . . . B 589 LYS H . 18982 1 257 . 2 2 26 26 LYS HA H 1 4.566 0.002 . 1 . . . B 589 LYS HA . 18982 1 258 . 2 2 26 26 LYS HB2 H 1 1.648 0.002 . 1 . . . B 589 LYS HB2 . 18982 1 259 . 2 2 26 26 LYS HB3 H 1 1.318 0.002 . 1 . . . B 589 LYS HB3 . 18982 1 260 . 2 2 26 26 LYS HG2 H 1 1.397 0.002 . 1 . . . B 589 LYS HG2 . 18982 1 261 . 2 2 26 26 LYS HG3 H 1 1.270 0.002 . 1 . . . B 589 LYS HG3 . 18982 1 262 . 2 2 26 26 LYS HD2 H 1 1.459 0.002 . 1 . . . B 589 LYS HD2 . 18982 1 263 . 2 2 26 26 LYS HD3 H 1 1.459 0.002 . 1 . . . B 589 LYS HD3 . 18982 1 264 . 2 2 26 26 LYS HE2 H 1 2.796 0.002 . 1 . . . B 589 LYS HE2 . 18982 1 265 . 2 2 26 26 LYS HE3 H 1 2.732 0.002 . 1 . . . B 589 LYS HE3 . 18982 1 266 . 2 2 26 26 LYS CA C 13 55.131 0.002 . 1 . . . B 589 LYS CA . 18982 1 267 . 2 2 26 26 LYS CB C 13 38.184 0.002 . 1 . . . B 589 LYS CB . 18982 1 268 . 2 2 26 26 LYS CG C 13 26.289 0.002 . 1 . . . B 589 LYS CG . 18982 1 269 . 2 2 26 26 LYS CD C 13 29.825 0.002 . 1 . . . B 589 LYS CD . 18982 1 270 . 2 2 26 26 LYS CE C 13 42.013 0.002 . 1 . . . B 589 LYS CE . 18982 1 271 . 2 2 26 26 LYS N N 15 123.649 0.002 . 1 . . . B 589 LYS N . 18982 1 272 . 2 2 27 27 LYS H H 1 8.792 0.002 . 1 . . . B 590 LYS H . 18982 1 273 . 2 2 27 27 LYS HA H 1 4.784 0.002 . 1 . . . B 590 LYS HA . 18982 1 274 . 2 2 27 27 LYS HB2 H 1 2.013 0.002 . 1 . . . B 590 LYS HB2 . 18982 1 275 . 2 2 27 27 LYS HB3 H 1 1.591 0.002 . 1 . . . B 590 LYS HB3 . 18982 1 276 . 2 2 27 27 LYS HG2 H 1 1.468 0.002 . 1 . . . B 590 LYS HG2 . 18982 1 277 . 2 2 27 27 LYS HG3 H 1 1.304 0.002 . 1 . . . B 590 LYS HG3 . 18982 1 278 . 2 2 27 27 LYS HD2 H 1 1.819 0.002 . 1 . . . B 590 LYS HD2 . 18982 1 279 . 2 2 27 27 LYS HD3 H 1 1.700 0.002 . 1 . . . B 590 LYS HD3 . 18982 1 280 . 2 2 27 27 LYS HE2 H 1 2.985 0.002 . 1 . . . B 590 LYS HE2 . 18982 1 281 . 2 2 27 27 LYS HE3 H 1 2.985 0.002 . 1 . . . B 590 LYS HE3 . 18982 1 282 . 2 2 27 27 LYS CB C 13 32.397 0.002 . 1 . . . B 590 LYS CB . 18982 1 283 . 2 2 27 27 LYS CG C 13 26.359 0.002 . 1 . . . B 590 LYS CG . 18982 1 284 . 2 2 27 27 LYS CD C 13 29.294 0.002 . 1 . . . B 590 LYS CD . 18982 1 285 . 2 2 27 27 LYS CE C 13 42.340 0.002 . 1 . . . B 590 LYS CE . 18982 1 286 . 2 2 27 27 LYS N N 15 122.290 0.002 . 1 . . . B 590 LYS N . 18982 1 287 . 2 2 28 28 VAL H H 1 8.695 0.002 . 1 . . . B 591 VAL H . 18982 1 288 . 2 2 28 28 VAL HA H 1 3.999 0.002 . 1 . . . B 591 VAL HA . 18982 1 289 . 2 2 28 28 VAL HB H 1 2.095 0.002 . 1 . . . B 591 VAL HB . 18982 1 290 . 2 2 28 28 VAL HG11 H 1 1.174 0.002 . 1 . . . B 591 VAL HG11 . 18982 1 291 . 2 2 28 28 VAL HG12 H 1 1.174 0.002 . 1 . . . B 591 VAL HG12 . 18982 1 292 . 2 2 28 28 VAL HG13 H 1 1.174 0.002 . 1 . . . B 591 VAL HG13 . 18982 1 293 . 2 2 28 28 VAL HG21 H 1 1.116 0.002 . 1 . . . B 591 VAL HG21 . 18982 1 294 . 2 2 28 28 VAL HG22 H 1 1.116 0.002 . 1 . . . B 591 VAL HG22 . 18982 1 295 . 2 2 28 28 VAL HG23 H 1 1.116 0.002 . 1 . . . B 591 VAL HG23 . 18982 1 296 . 2 2 28 28 VAL CA C 13 65.420 0.002 . 1 . . . B 591 VAL CA . 18982 1 297 . 2 2 28 28 VAL CB C 13 32.397 0.002 . 1 . . . B 591 VAL CB . 18982 1 298 . 2 2 28 28 VAL CG1 C 13 22.445 0.002 . 1 . . . B 591 VAL CG1 . 18982 1 299 . 2 2 28 28 VAL CG2 C 13 20.162 0.002 . 1 . . . B 591 VAL CG2 . 18982 1 300 . 2 2 28 28 VAL N N 15 123.684 0.002 . 1 . . . B 591 VAL N . 18982 1 301 . 2 2 29 29 GLU H H 1 10.608 0.002 . 1 . . . B 592 GLU H . 18982 1 302 . 2 2 29 29 GLU HA H 1 4.514 0.002 . 1 . . . B 592 GLU HA . 18982 1 303 . 2 2 29 29 GLU HB2 H 1 2.355 0.002 . 1 . . . B 592 GLU HB2 . 18982 1 304 . 2 2 29 29 GLU HB3 H 1 2.129 0.002 . 1 . . . B 592 GLU HB3 . 18982 1 305 . 2 2 29 29 GLU HG2 H 1 2.440 0.002 . 1 . . . B 592 GLU HG2 . 18982 1 306 . 2 2 29 29 GLU HG3 H 1 2.200 0.002 . 1 . . . B 592 GLU HG3 . 18982 1 307 . 2 2 29 29 GLU CA C 13 58.347 0.002 . 1 . . . B 592 GLU CA . 18982 1 308 . 2 2 29 29 GLU CB C 13 27.663 0.002 . 1 . . . B 592 GLU CB . 18982 1 309 . 2 2 29 29 GLU CG C 13 34.838 0.002 . 1 . . . B 592 GLU CG . 18982 1 310 . 2 2 29 29 GLU N N 15 121.584 0.002 . 1 . . . B 592 GLU N . 18982 1 311 . 2 2 30 30 ASP H H 1 8.397 0.002 . 1 . . . B 593 ASP H . 18982 1 312 . 2 2 30 30 ASP HA H 1 4.997 0.002 . 1 . . . B 593 ASP HA . 18982 1 313 . 2 2 30 30 ASP HB2 H 1 2.946 0.002 . 1 . . . B 593 ASP HB2 . 18982 1 314 . 2 2 30 30 ASP HB3 H 1 2.835 0.002 . 1 . . . B 593 ASP HB3 . 18982 1 315 . 2 2 30 30 ASP CA C 13 54.168 0.002 . 1 . . . B 593 ASP CA . 18982 1 316 . 2 2 30 30 ASP CB C 13 42.013 0.002 . 1 . . . B 593 ASP CB . 18982 1 317 . 2 2 30 30 ASP N N 15 122.907 0.002 . 1 . . . B 593 ASP N . 18982 1 318 . 2 2 31 31 LEU H H 1 7.299 0.002 . 1 . . . B 594 LEU H . 18982 1 319 . 2 2 31 31 LEU HA H 1 4.130 0.002 . 1 . . . B 594 LEU HA . 18982 1 320 . 2 2 31 31 LEU HB2 H 1 2.086 0.002 . 1 . . . B 594 LEU HB2 . 18982 1 321 . 2 2 31 31 LEU HB3 H 1 1.121 0.002 . 1 . . . B 594 LEU HB3 . 18982 1 322 . 2 2 31 31 LEU HG H 1 2.026 0.002 . 1 . . . B 594 LEU HG . 18982 1 323 . 2 2 31 31 LEU HD11 H 1 1.115 0.002 . 1 . . . B 594 LEU HD11 . 18982 1 324 . 2 2 31 31 LEU HD12 H 1 1.115 0.002 . 1 . . . B 594 LEU HD12 . 18982 1 325 . 2 2 31 31 LEU HD13 H 1 1.115 0.002 . 1 . . . B 594 LEU HD13 . 18982 1 326 . 2 2 31 31 LEU HD21 H 1 0.512 0.002 . 1 . . . B 594 LEU HD21 . 18982 1 327 . 2 2 31 31 LEU HD22 H 1 0.512 0.002 . 1 . . . B 594 LEU HD22 . 18982 1 328 . 2 2 31 31 LEU HD23 H 1 0.512 0.002 . 1 . . . B 594 LEU HD23 . 18982 1 329 . 2 2 31 31 LEU CA C 13 56.418 0.002 . 1 . . . B 594 LEU CA . 18982 1 330 . 2 2 31 31 LEU CB C 13 42.666 0.002 . 1 . . . B 594 LEU CB . 18982 1 331 . 2 2 31 31 LEU CG C 13 26.932 0.002 . 1 . . . B 594 LEU CG . 18982 1 332 . 2 2 31 31 LEU CD1 C 13 28.218 0.002 . 1 . . . B 594 LEU CD1 . 18982 1 333 . 2 2 31 31 LEU CD2 C 13 23.717 0.002 . 1 . . . B 594 LEU CD2 . 18982 1 334 . 2 2 31 31 LEU N N 15 120.611 0.002 . 1 . . . B 594 LEU N . 18982 1 335 . 2 2 32 32 LYS H H 1 9.161 0.002 . 1 . . . B 595 LYS H . 18982 1 336 . 2 2 32 32 LYS HA H 1 4.926 0.002 . 1 . . . B 595 LYS HA . 18982 1 337 . 2 2 32 32 LYS HB2 H 1 2.181 0.002 . 1 . . . B 595 LYS HB2 . 18982 1 338 . 2 2 32 32 LYS HB3 H 1 1.632 0.002 . 1 . . . B 595 LYS HB3 . 18982 1 339 . 2 2 32 32 LYS HG2 H 1 1.579 0.002 . 1 . . . B 595 LYS HG2 . 18982 1 340 . 2 2 32 32 LYS HG3 H 1 1.579 0.002 . 1 . . . B 595 LYS HG3 . 18982 1 341 . 2 2 32 32 LYS HD2 H 1 1.794 0.002 . 1 . . . B 595 LYS HD2 . 18982 1 342 . 2 2 32 32 LYS HD3 H 1 1.733 0.002 . 1 . . . B 595 LYS HD3 . 18982 1 343 . 2 2 32 32 LYS CA C 13 53.203 0.002 . 1 . . . B 595 LYS CA . 18982 1 344 . 2 2 32 32 LYS CB C 13 36.143 0.002 . 1 . . . B 595 LYS CB . 18982 1 345 . 2 2 32 32 LYS CG C 13 24.402 0.002 . 1 . . . B 595 LYS CG . 18982 1 346 . 2 2 32 32 LYS CD C 13 28.642 0.002 . 1 . . . B 595 LYS CD . 18982 1 347 . 2 2 32 32 LYS N N 15 119.678 0.002 . 1 . . . B 595 LYS N . 18982 1 348 . 2 2 33 33 THR H H 1 9.161 0.002 . 1 . . . B 596 THR H . 18982 1 349 . 2 2 33 33 THR HA H 1 4.175 0.002 . 1 . . . B 596 THR HA . 18982 1 350 . 2 2 33 33 THR HB H 1 3.558 0.002 . 1 . . . B 596 THR HB . 18982 1 351 . 2 2 33 33 THR HG21 H 1 1.176 0.002 . 1 . . . B 596 THR HG21 . 18982 1 352 . 2 2 33 33 THR HG22 H 1 1.176 0.002 . 1 . . . B 596 THR HG22 . 18982 1 353 . 2 2 33 33 THR HG23 H 1 1.176 0.002 . 1 . . . B 596 THR HG23 . 18982 1 354 . 2 2 33 33 THR CA C 13 69.599 0.002 . 1 . . . B 596 THR CA . 18982 1 355 . 2 2 33 33 THR CB C 13 68.313 0.002 . 1 . . . B 596 THR CB . 18982 1 356 . 2 2 33 33 THR CG2 C 13 22.119 0.002 . 1 . . . B 596 THR CG2 . 18982 1 357 . 2 2 33 33 THR N N 15 119.692 0.002 . 1 . . . B 596 THR N . 18982 1 358 . 2 2 34 34 GLU H H 1 9.686 0.002 . 1 . . . B 597 GLU H . 18982 1 359 . 2 2 34 34 GLU HA H 1 3.869 0.002 . 1 . . . B 597 GLU HA . 18982 1 360 . 2 2 34 34 GLU HB2 H 1 1.967 0.002 . 1 . . . B 597 GLU HB2 . 18982 1 361 . 2 2 34 34 GLU HB3 H 1 1.924 0.002 . 1 . . . B 597 GLU HB3 . 18982 1 362 . 2 2 34 34 GLU HG2 H 1 2.362 0.002 . 1 . . . B 597 GLU HG2 . 18982 1 363 . 2 2 34 34 GLU HG3 H 1 2.211 0.002 . 1 . . . B 597 GLU HG3 . 18982 1 364 . 2 2 34 34 GLU CA C 13 60.276 0.002 . 1 . . . B 597 GLU CA . 18982 1 365 . 2 2 34 34 GLU CB C 13 28.861 0.002 . 1 . . . B 597 GLU CB . 18982 1 366 . 2 2 34 34 GLU CG C 13 36.795 0.002 . 1 . . . B 597 GLU CG . 18982 1 367 . 2 2 34 34 GLU N N 15 117.810 0.002 . 1 . . . B 597 GLU N . 18982 1 368 . 2 2 35 35 ASP H H 1 7.512 0.002 . 1 . . . B 598 ASP H . 18982 1 369 . 2 2 35 35 ASP HA H 1 4.191 0.002 . 1 . . . B 598 ASP HA . 18982 1 370 . 2 2 35 35 ASP HB2 H 1 2.492 0.002 . 1 . . . B 598 ASP HB2 . 18982 1 371 . 2 2 35 35 ASP HB3 H 1 2.113 0.002 . 1 . . . B 598 ASP HB3 . 18982 1 372 . 2 2 35 35 ASP CA C 13 57.704 0.002 . 1 . . . B 598 ASP CA . 18982 1 373 . 2 2 35 35 ASP CB C 13 40.709 0.002 . 1 . . . B 598 ASP CB . 18982 1 374 . 2 2 35 35 ASP N N 15 118.259 0.002 . 1 . . . B 598 ASP N . 18982 1 375 . 2 2 36 36 PHE H H 1 7.017 0.002 . 1 . . . B 599 PHE H . 18982 1 376 . 2 2 36 36 PHE HA H 1 3.756 0.002 . 1 . . . B 599 PHE HA . 18982 1 377 . 2 2 36 36 PHE HB2 H 1 2.884 0.002 . 1 . . . B 599 PHE HB2 . 18982 1 378 . 2 2 36 36 PHE HB3 H 1 2.774 0.002 . 1 . . . B 599 PHE HB3 . 18982 1 379 . 2 2 36 36 PHE HD1 H 1 6.761 0.002 . 1 . . . B 599 PHE HD1 . 18982 1 380 . 2 2 36 36 PHE HD2 H 1 6.761 0.002 . 1 . . . B 599 PHE HD2 . 18982 1 381 . 2 2 36 36 PHE HE1 H 1 6.440 0.002 . 1 . . . B 599 PHE HE1 . 18982 1 382 . 2 2 36 36 PHE HE2 H 1 6.440 0.002 . 1 . . . B 599 PHE HE2 . 18982 1 383 . 2 2 36 36 PHE HZ H 1 6.909 0.002 . 1 . . . B 599 PHE HZ . 18982 1 384 . 2 2 36 36 PHE CA C 13 62.205 0.002 . 1 . . . B 599 PHE CA . 18982 1 385 . 2 2 36 36 PHE CB C 13 39.470 0.002 . 1 . . . B 599 PHE CB . 18982 1 386 . 2 2 36 36 PHE CD1 C 13 130.933 0.002 . 1 . . . B 599 PHE CD1 . 18982 1 387 . 2 2 36 36 PHE CE1 C 13 130.933 0.002 . 1 . . . B 599 PHE CE1 . 18982 1 388 . 2 2 36 36 PHE CZ C 13 129.019 0.002 . 1 . . . B 599 PHE CZ . 18982 1 389 . 2 2 36 36 PHE N N 15 117.694 0.002 . 1 . . . B 599 PHE N . 18982 1 390 . 2 2 37 37 ILE H H 1 7.654 0.002 . 1 . . . B 600 ILE H . 18982 1 391 . 2 2 37 37 ILE HA H 1 3.560 0.002 . 1 . . . B 600 ILE HA . 18982 1 392 . 2 2 37 37 ILE HB H 1 1.796 0.002 . 1 . . . B 600 ILE HB . 18982 1 393 . 2 2 37 37 ILE HG12 H 1 1.638 0.002 . 1 . . . B 600 ILE HG12 . 18982 1 394 . 2 2 37 37 ILE HG13 H 1 1.317 0.002 . 1 . . . B 600 ILE HG13 . 18982 1 395 . 2 2 37 37 ILE HG21 H 1 0.932 0.002 . 1 . . . B 600 ILE HG21 . 18982 1 396 . 2 2 37 37 ILE HG22 H 1 0.932 0.002 . 1 . . . B 600 ILE HG22 . 18982 1 397 . 2 2 37 37 ILE HG23 H 1 0.932 0.002 . 1 . . . B 600 ILE HG23 . 18982 1 398 . 2 2 37 37 ILE HD11 H 1 0.924 0.002 . 1 . . . B 600 ILE HD11 . 18982 1 399 . 2 2 37 37 ILE HD12 H 1 0.924 0.002 . 1 . . . B 600 ILE HD12 . 18982 1 400 . 2 2 37 37 ILE HD13 H 1 0.924 0.002 . 1 . . . B 600 ILE HD13 . 18982 1 401 . 2 2 37 37 ILE CA C 13 65.100 0.002 . 1 . . . B 600 ILE CA . 18982 1 402 . 2 2 37 37 ILE CB C 13 38.100 0.002 . 1 . . . B 600 ILE CB . 18982 1 403 . 2 2 37 37 ILE CG1 C 13 28.316 0.002 . 1 . . . B 600 ILE CG1 . 18982 1 404 . 2 2 37 37 ILE CG2 C 13 16.966 0.002 . 1 . . . B 600 ILE CG2 . 18982 1 405 . 2 2 37 37 ILE CD1 C 13 13.108 0.002 . 1 . . . B 600 ILE CD1 . 18982 1 406 . 2 2 37 37 ILE N N 15 118.660 0.002 . 1 . . . B 600 ILE N . 18982 1 407 . 2 2 38 38 GLN H H 1 8.417 0.002 . 1 . . . B 601 GLN H . 18982 1 408 . 2 2 38 38 GLN HA H 1 3.981 0.002 . 1 . . . B 601 GLN HA . 18982 1 409 . 2 2 38 38 GLN HB2 H 1 2.020 0.002 . 1 . . . B 601 GLN HB2 . 18982 1 410 . 2 2 38 38 GLN HB3 H 1 1.951 0.002 . 1 . . . B 601 GLN HB3 . 18982 1 411 . 2 2 38 38 GLN HG2 H 1 2.447 0.002 . 1 . . . B 601 GLN HG2 . 18982 1 412 . 2 2 38 38 GLN HG3 H 1 2.295 0.002 . 1 . . . B 601 GLN HG3 . 18982 1 413 . 2 2 38 38 GLN HE21 H 1 6.708 0.002 . 1 . . . B 601 GLN HE21 . 18982 1 414 . 2 2 38 38 GLN HE22 H 1 7.297 0.002 . 1 . . . B 601 GLN HE22 . 18982 1 415 . 2 2 38 38 GLN CA C 13 58.347 0.002 . 1 . . . B 601 GLN CA . 18982 1 416 . 2 2 38 38 GLN CB C 13 28.316 0.002 . 1 . . . B 601 GLN CB . 18982 1 417 . 2 2 38 38 GLN CG C 13 34.326 0.002 . 1 . . . B 601 GLN CG . 18982 1 418 . 2 2 38 38 GLN N N 15 117.030 0.002 . 1 . . . B 601 GLN N . 18982 1 419 . 2 2 38 38 GLN NE2 N 15 110.957 0.002 . 1 . . . B 601 GLN NE2 . 18982 1 420 . 2 2 39 39 SER H H 1 6.976 0.002 . 1 . . . B 602 SER H . 18982 1 421 . 2 2 39 39 SER HA H 1 3.841 0.002 . 1 . . . B 602 SER HA . 18982 1 422 . 2 2 39 39 SER HB2 H 1 2.673 0.002 . 1 . . . B 602 SER HB2 . 18982 1 423 . 2 2 39 39 SER HB3 H 1 1.472 0.002 . 1 . . . B 602 SER HB3 . 18982 1 424 . 2 2 39 39 SER CA C 13 62.848 0.002 . 1 . . . B 602 SER CA . 18982 1 425 . 2 2 39 39 SER CB C 13 61.240 0.002 . 1 . . . B 602 SER CB . 18982 1 426 . 2 2 39 39 SER N N 15 114.444 0.002 . 1 . . . B 602 SER N . 18982 1 427 . 2 2 40 40 ALA H H 1 7.679 0.002 . 1 . . . B 603 ALA H . 18982 1 428 . 2 2 40 40 ALA HA H 1 4.041 0.002 . 1 . . . B 603 ALA HA . 18982 1 429 . 2 2 40 40 ALA HB1 H 1 1.529 0.002 . 1 . . . B 603 ALA HB1 . 18982 1 430 . 2 2 40 40 ALA HB2 H 1 1.529 0.002 . 1 . . . B 603 ALA HB2 . 18982 1 431 . 2 2 40 40 ALA HB3 H 1 1.529 0.002 . 1 . . . B 603 ALA HB3 . 18982 1 432 . 2 2 40 40 ALA CA C 13 54.811 0.002 . 1 . . . B 603 ALA CA . 18982 1 433 . 2 2 40 40 ALA CB C 13 18.895 0.002 . 1 . . . B 603 ALA CB . 18982 1 434 . 2 2 40 40 ALA N N 15 122.465 0.002 . 1 . . . B 603 ALA N . 18982 1 435 . 2 2 41 41 GLU H H 1 7.591 0.002 . 1 . . . B 604 GLU H . 18982 1 436 . 2 2 41 41 GLU HA H 1 4.019 0.002 . 1 . . . B 604 GLU HA . 18982 1 437 . 2 2 41 41 GLU HB2 H 1 2.165 0.002 . 1 . . . B 604 GLU HB2 . 18982 1 438 . 2 2 41 41 GLU HB3 H 1 2.038 0.002 . 1 . . . B 604 GLU HB3 . 18982 1 439 . 2 2 41 41 GLU HG2 H 1 2.363 0.002 . 1 . . . B 604 GLU HG2 . 18982 1 440 . 2 2 41 41 GLU HG3 H 1 2.287 0.002 . 1 . . . B 604 GLU HG3 . 18982 1 441 . 2 2 41 41 GLU CA C 13 58.990 0.002 . 1 . . . B 604 GLU CA . 18982 1 442 . 2 2 41 41 GLU CB C 13 29.825 0.002 . 1 . . . B 604 GLU CB . 18982 1 443 . 2 2 41 41 GLU CG C 13 36.143 0.002 . 1 . . . B 604 GLU CG . 18982 1 444 . 2 2 41 41 GLU N N 15 116.574 0.002 . 1 . . . B 604 GLU N . 18982 1 445 . 2 2 42 42 ILE H H 1 7.086 0.002 . 1 . . . B 605 ILE H . 18982 1 446 . 2 2 42 42 ILE HA H 1 4.103 0.002 . 1 . . . B 605 ILE HA . 18982 1 447 . 2 2 42 42 ILE HB H 1 1.866 0.002 . 1 . . . B 605 ILE HB . 18982 1 448 . 2 2 42 42 ILE HG12 H 1 1.444 0.002 . 1 . . . B 605 ILE HG12 . 18982 1 449 . 2 2 42 42 ILE HG13 H 1 1.194 0.002 . 1 . . . B 605 ILE HG13 . 18982 1 450 . 2 2 42 42 ILE HG21 H 1 0.834 0.002 . 1 . . . B 605 ILE HG21 . 18982 1 451 . 2 2 42 42 ILE HG22 H 1 0.834 0.002 . 1 . . . B 605 ILE HG22 . 18982 1 452 . 2 2 42 42 ILE HG23 H 1 0.834 0.002 . 1 . . . B 605 ILE HG23 . 18982 1 453 . 2 2 42 42 ILE HD11 H 1 0.733 0.002 . 1 . . . B 605 ILE HD11 . 18982 1 454 . 2 2 42 42 ILE HD12 H 1 0.733 0.002 . 1 . . . B 605 ILE HD12 . 18982 1 455 . 2 2 42 42 ILE HD13 H 1 0.733 0.002 . 1 . . . B 605 ILE HD13 . 18982 1 456 . 2 2 42 42 ILE CA C 13 61.883 0.002 . 1 . . . B 605 ILE CA . 18982 1 457 . 2 2 42 42 ILE CB C 13 38.426 0.002 . 1 . . . B 605 ILE CB . 18982 1 458 . 2 2 42 42 ILE CG1 C 13 27.663 0.002 . 1 . . . B 605 ILE CG1 . 18982 1 459 . 2 2 42 42 ILE CG2 C 13 17.553 0.002 . 1 . . . B 605 ILE CG2 . 18982 1 460 . 2 2 42 42 ILE CD1 C 13 13.639 0.002 . 1 . . . B 605 ILE CD1 . 18982 1 461 . 2 2 42 42 ILE N N 15 113.344 0.002 . 1 . . . B 605 ILE N . 18982 1 462 . 2 2 43 43 SER H H 1 7.645 0.002 . 1 . . . B 606 SER H . 18982 1 463 . 2 2 43 43 SER HA H 1 4.442 0.002 . 1 . . . B 606 SER HA . 18982 1 464 . 2 2 43 43 SER HB2 H 1 3.844 0.002 . 1 . . . B 606 SER HB2 . 18982 1 465 . 2 2 43 43 SER HB3 H 1 3.844 0.002 . 1 . . . B 606 SER HB3 . 18982 1 466 . 2 2 43 43 SER CA C 13 58.990 0.002 . 1 . . . B 606 SER CA . 18982 1 467 . 2 2 43 43 SER CB C 13 62.201 0.002 . 1 . . . B 606 SER CB . 18982 1 468 . 2 2 43 43 SER N N 15 117.220 0.002 . 1 . . . B 606 SER N . 18982 1 469 . 2 2 44 44 ASN H H 1 8.969 0.002 . 1 . . . B 607 ASN H . 18982 1 470 . 2 2 44 44 ASN HA H 1 4.773 0.002 . 1 . . . B 607 ASN HA . 18982 1 471 . 2 2 44 44 ASN HB2 H 1 2.856 0.002 . 1 . . . B 607 ASN HB2 . 18982 1 472 . 2 2 44 44 ASN HB3 H 1 2.800 0.002 . 1 . . . B 607 ASN HB3 . 18982 1 473 . 2 2 44 44 ASN HD21 H 1 7.655 0.002 . 1 . . . B 607 ASN HD21 . 18982 1 474 . 2 2 44 44 ASN HD22 H 1 6.949 0.002 . 1 . . . B 607 ASN HD22 . 18982 1 475 . 2 2 44 44 ASN CB C 13 39.470 0.002 . 1 . . . B 607 ASN CB . 18982 1 476 . 2 2 44 44 ASN N N 15 121.587 0.002 . 1 . . . B 607 ASN N . 18982 1 477 . 2 2 44 44 ASN ND2 N 15 113.104 0.002 . 1 . . . B 607 ASN ND2 . 18982 1 478 . 2 2 45 45 ASP H H 1 8.708 0.002 . 1 . . . B 608 ASP H . 18982 1 479 . 2 2 45 45 ASP HA H 1 4.814 0.002 . 1 . . . B 608 ASP HA . 18982 1 480 . 2 2 45 45 ASP HB2 H 1 2.659 0.002 . 1 . . . B 608 ASP HB2 . 18982 1 481 . 2 2 45 45 ASP HB3 H 1 2.659 0.002 . 1 . . . B 608 ASP HB3 . 18982 1 482 . 2 2 45 45 ASP CB C 13 42.340 0.002 . 1 . . . B 608 ASP CB . 18982 1 483 . 2 2 45 45 ASP N N 15 115.095 0.002 . 1 . . . B 608 ASP N . 18982 1 484 . 2 2 46 46 LEU H H 1 8.003 0.002 . 1 . . . B 609 LEU H . 18982 1 485 . 2 2 46 46 LEU HA H 1 5.245 0.002 . 1 . . . B 609 LEU HA . 18982 1 486 . 2 2 46 46 LEU HB2 H 1 1.971 0.002 . 1 . . . B 609 LEU HB2 . 18982 1 487 . 2 2 46 46 LEU HB3 H 1 1.446 0.002 . 1 . . . B 609 LEU HB3 . 18982 1 488 . 2 2 46 46 LEU HG H 1 1.600 0.002 . 1 . . . B 609 LEU HG . 18982 1 489 . 2 2 46 46 LEU HD11 H 1 0.789 0.002 . 1 . . . B 609 LEU HD11 . 18982 1 490 . 2 2 46 46 LEU HD12 H 1 0.789 0.002 . 1 . . . B 609 LEU HD12 . 18982 1 491 . 2 2 46 46 LEU HD13 H 1 0.789 0.002 . 1 . . . B 609 LEU HD13 . 18982 1 492 . 2 2 46 46 LEU HD21 H 1 0.577 0.002 . 1 . . . B 609 LEU HD21 . 18982 1 493 . 2 2 46 46 LEU HD22 H 1 0.577 0.002 . 1 . . . B 609 LEU HD22 . 18982 1 494 . 2 2 46 46 LEU HD23 H 1 0.577 0.002 . 1 . . . B 609 LEU HD23 . 18982 1 495 . 2 2 46 46 LEU CA C 13 54.168 0.002 . 1 . . . B 609 LEU CA . 18982 1 496 . 2 2 46 46 LEU CB C 13 46.221 0.002 . 1 . . . B 609 LEU CB . 18982 1 497 . 2 2 46 46 LEU CG C 13 26.610 0.002 . 1 . . . B 609 LEU CG . 18982 1 498 . 2 2 46 46 LEU CD1 C 13 23.750 0.002 . 1 . . . B 609 LEU CD1 . 18982 1 499 . 2 2 46 46 LEU CD2 C 13 26.033 0.002 . 1 . . . B 609 LEU CD2 . 18982 1 500 . 2 2 46 46 LEU N N 15 121.125 0.002 . 1 . . . B 609 LEU N . 18982 1 501 . 2 2 47 47 LYS H H 1 8.700 0.002 . 1 . . . B 610 LYS H . 18982 1 502 . 2 2 47 47 LYS HA H 1 4.726 0.002 . 1 . . . B 610 LYS HA . 18982 1 503 . 2 2 47 47 LYS HB2 H 1 1.706 0.002 . 1 . . . B 610 LYS HB2 . 18982 1 504 . 2 2 47 47 LYS HB3 H 1 1.566 0.002 . 1 . . . B 610 LYS HB3 . 18982 1 505 . 2 2 47 47 LYS HG2 H 1 1.203 0.002 . 1 . . . B 610 LYS HG2 . 18982 1 506 . 2 2 47 47 LYS HG3 H 1 1.118 0.002 . 1 . . . B 610 LYS HG3 . 18982 1 507 . 2 2 47 47 LYS HD2 H 1 1.628 0.002 . 1 . . . B 610 LYS HD2 . 18982 1 508 . 2 2 47 47 LYS HD3 H 1 1.559 0.002 . 1 . . . B 610 LYS HD3 . 18982 1 509 . 2 2 47 47 LYS HE2 H 1 2.917 0.002 . 1 . . . B 610 LYS HE2 . 18982 1 510 . 2 2 47 47 LYS HE3 H 1 2.917 0.002 . 1 . . . B 610 LYS HE3 . 18982 1 511 . 2 2 47 47 LYS CB C 13 36.469 0.002 . 1 . . . B 610 LYS CB . 18982 1 512 . 2 2 47 47 LYS CG C 13 23.750 0.002 . 1 . . . B 610 LYS CG . 18982 1 513 . 2 2 47 47 LYS CD C 13 29.825 0.002 . 1 . . . B 610 LYS CD . 18982 1 514 . 2 2 47 47 LYS N N 15 117.300 0.002 . 1 . . . B 610 LYS N . 18982 1 515 . 2 2 48 48 ILE H H 1 8.346 0.002 . 1 . . . B 611 ILE H . 18982 1 516 . 2 2 48 48 ILE HA H 1 4.734 0.002 . 1 . . . B 611 ILE HA . 18982 1 517 . 2 2 48 48 ILE HB H 1 1.916 0.002 . 1 . . . B 611 ILE HB . 18982 1 518 . 2 2 48 48 ILE HG12 H 1 1.549 0.002 . 1 . . . B 611 ILE HG12 . 18982 1 519 . 2 2 48 48 ILE HG13 H 1 1.338 0.002 . 1 . . . B 611 ILE HG13 . 18982 1 520 . 2 2 48 48 ILE HG21 H 1 1.042 0.002 . 1 . . . B 611 ILE HG21 . 18982 1 521 . 2 2 48 48 ILE HG22 H 1 1.042 0.002 . 1 . . . B 611 ILE HG22 . 18982 1 522 . 2 2 48 48 ILE HG23 H 1 1.042 0.002 . 1 . . . B 611 ILE HG23 . 18982 1 523 . 2 2 48 48 ILE HD11 H 1 0.841 0.002 . 1 . . . B 611 ILE HD11 . 18982 1 524 . 2 2 48 48 ILE HD12 H 1 0.841 0.002 . 1 . . . B 611 ILE HD12 . 18982 1 525 . 2 2 48 48 ILE HD13 H 1 0.841 0.002 . 1 . . . B 611 ILE HD13 . 18982 1 526 . 2 2 48 48 ILE CB C 13 38.827 0.002 . 1 . . . B 611 ILE CB . 18982 1 527 . 2 2 48 48 ILE CG1 C 13 28.218 0.002 . 1 . . . B 611 ILE CG1 . 18982 1 528 . 2 2 48 48 ILE CG2 C 13 17.879 0.002 . 1 . . . B 611 ILE CG2 . 18982 1 529 . 2 2 48 48 ILE CD1 C 13 13.108 0.002 . 1 . . . B 611 ILE CD1 . 18982 1 530 . 2 2 48 48 ILE N N 15 120.147 0.002 . 1 . . . B 611 ILE N . 18982 1 531 . 2 2 49 49 ASP H H 1 8.869 0.002 . 1 . . . B 612 ASP H . 18982 1 532 . 2 2 49 49 ASP HA H 1 5.018 0.002 . 1 . . . B 612 ASP HA . 18982 1 533 . 2 2 49 49 ASP HB2 H 1 2.375 0.002 . 1 . . . B 612 ASP HB2 . 18982 1 534 . 2 2 49 49 ASP HB3 H 1 2.091 0.002 . 1 . . . B 612 ASP HB3 . 18982 1 535 . 2 2 49 49 ASP CA C 13 51.917 0.002 . 1 . . . B 612 ASP CA . 18982 1 536 . 2 2 49 49 ASP CB C 13 44.290 0.002 . 1 . . . B 612 ASP CB . 18982 1 537 . 2 2 49 49 ASP N N 15 129.119 0.002 . 1 . . . B 612 ASP N . 18982 1 538 . 2 2 50 50 SER H H 1 8.669 0.002 . 1 . . . B 613 SER H . 18982 1 539 . 2 2 50 50 SER HA H 1 4.826 0.002 . 1 . . . B 613 SER HA . 18982 1 540 . 2 2 50 50 SER HB2 H 1 3.666 0.002 . 1 . . . B 613 SER HB2 . 18982 1 541 . 2 2 50 50 SER HB3 H 1 3.587 0.002 . 1 . . . B 613 SER HB3 . 18982 1 542 . 2 2 50 50 SER CB C 13 64.455 0.002 . 1 . . . B 613 SER CB . 18982 1 543 . 2 2 50 50 SER N N 15 116.266 0.002 . 1 . . . B 613 SER N . 18982 1 544 . 2 2 51 51 SER H H 1 8.872 0.002 . 1 . . . B 614 SER H . 18982 1 545 . 2 2 51 51 SER HA H 1 5.226 0.002 . 1 . . . B 614 SER HA . 18982 1 546 . 2 2 51 51 SER HB2 H 1 3.186 0.002 . 1 . . . B 614 SER HB2 . 18982 1 547 . 2 2 51 51 SER HB3 H 1 3.139 0.002 . 1 . . . B 614 SER HB3 . 18982 1 548 . 2 2 51 51 SER CA C 13 57.224 0.002 . 1 . . . B 614 SER CA . 18982 1 549 . 2 2 51 51 SER CB C 13 64.777 0.002 . 1 . . . B 614 SER CB . 18982 1 550 . 2 2 51 51 SER N N 15 121.603 0.002 . 1 . . . B 614 SER N . 18982 1 551 . 2 2 52 52 THR H H 1 9.243 0.002 . 1 . . . B 615 THR H . 18982 1 552 . 2 2 52 52 THR HA H 1 5.041 0.002 . 1 . . . B 615 THR HA . 18982 1 553 . 2 2 52 52 THR HB H 1 4.038 0.002 . 1 . . . B 615 THR HB . 18982 1 554 . 2 2 52 52 THR HG21 H 1 1.054 0.002 . 1 . . . B 615 THR HG21 . 18982 1 555 . 2 2 52 52 THR HG22 H 1 1.054 0.002 . 1 . . . B 615 THR HG22 . 18982 1 556 . 2 2 52 52 THR HG23 H 1 1.054 0.002 . 1 . . . B 615 THR HG23 . 18982 1 557 . 2 2 52 52 THR CA C 13 62.848 0.002 . 1 . . . B 615 THR CA . 18982 1 558 . 2 2 52 52 THR CB C 13 69.921 0.002 . 1 . . . B 615 THR CB . 18982 1 559 . 2 2 52 52 THR CG2 C 13 21.145 0.002 . 1 . . . B 615 THR CG2 . 18982 1 560 . 2 2 52 52 THR N N 15 124.346 0.002 . 1 . . . B 615 THR N . 18982 1 561 . 2 2 53 53 VAL H H 1 9.164 0.002 . 1 . . . B 616 VAL H . 18982 1 562 . 2 2 53 53 VAL HA H 1 3.332 0.002 . 1 . . . B 616 VAL HA . 18982 1 563 . 2 2 53 53 VAL HB H 1 2.179 0.002 . 1 . . . B 616 VAL HB . 18982 1 564 . 2 2 53 53 VAL HG11 H 1 0.709 0.002 . 1 . . . B 616 VAL HG11 . 18982 1 565 . 2 2 53 53 VAL HG12 H 1 0.709 0.002 . 1 . . . B 616 VAL HG12 . 18982 1 566 . 2 2 53 53 VAL HG13 H 1 0.709 0.002 . 1 . . . B 616 VAL HG13 . 18982 1 567 . 2 2 53 53 VAL HG21 H 1 0.397 0.002 . 1 . . . B 616 VAL HG21 . 18982 1 568 . 2 2 53 53 VAL HG22 H 1 0.397 0.002 . 1 . . . B 616 VAL HG22 . 18982 1 569 . 2 2 53 53 VAL HG23 H 1 0.397 0.002 . 1 . . . B 616 VAL HG23 . 18982 1 570 . 2 2 53 53 VAL CA C 13 64.134 0.002 . 1 . . . B 616 VAL CA . 18982 1 571 . 2 2 53 53 VAL CB C 13 31.754 0.002 . 1 . . . B 616 VAL CB . 18982 1 572 . 2 2 53 53 VAL CG1 C 13 22.119 0.002 . 1 . . . B 616 VAL CG1 . 18982 1 573 . 2 2 53 53 VAL CG2 C 13 22.119 0.002 . 1 . . . B 616 VAL CG2 . 18982 1 574 . 2 2 53 53 VAL N N 15 127.556 0.002 . 1 . . . B 616 VAL N . 18982 1 575 . 2 2 54 54 GLU H H 1 9.478 0.002 . 1 . . . B 617 GLU H . 18982 1 576 . 2 2 54 54 GLU HA H 1 4.475 0.002 . 1 . . . B 617 GLU HA . 18982 1 577 . 2 2 54 54 GLU HB2 H 1 1.927 0.002 . 1 . . . B 617 GLU HB2 . 18982 1 578 . 2 2 54 54 GLU HB3 H 1 1.666 0.002 . 1 . . . B 617 GLU HB3 . 18982 1 579 . 2 2 54 54 GLU HG2 H 1 2.287 0.002 . 1 . . . B 617 GLU HG2 . 18982 1 580 . 2 2 54 54 GLU HG3 H 1 2.016 0.002 . 1 . . . B 617 GLU HG3 . 18982 1 581 . 2 2 54 54 GLU CA C 13 57.383 0.002 . 1 . . . B 617 GLU CA . 18982 1 582 . 2 2 54 54 GLU CB C 13 31.754 0.002 . 1 . . . B 617 GLU CB . 18982 1 583 . 2 2 54 54 GLU CG C 13 37.121 0.002 . 1 . . . B 617 GLU CG . 18982 1 584 . 2 2 54 54 GLU N N 15 129.776 0.002 . 1 . . . B 617 GLU N . 18982 1 585 . 2 2 55 55 ARG H H 1 7.443 0.002 . 1 . . . B 618 ARG H . 18982 1 586 . 2 2 55 55 ARG HA H 1 4.262 0.002 . 1 . . . B 618 ARG HA . 18982 1 587 . 2 2 55 55 ARG HB2 H 1 1.671 0.002 . 1 . . . B 618 ARG HB2 . 18982 1 588 . 2 2 55 55 ARG HB3 H 1 1.633 0.002 . 1 . . . B 618 ARG HB3 . 18982 1 589 . 2 2 55 55 ARG HG2 H 1 1.522 0.002 . 1 . . . B 618 ARG HG2 . 18982 1 590 . 2 2 55 55 ARG HG3 H 1 1.429 0.002 . 1 . . . B 618 ARG HG3 . 18982 1 591 . 2 2 55 55 ARG HD2 H 1 3.077 0.002 . 1 . . . B 618 ARG HD2 . 18982 1 592 . 2 2 55 55 ARG HD3 H 1 3.077 0.002 . 1 . . . B 618 ARG HD3 . 18982 1 593 . 2 2 55 55 ARG CA C 13 56.097 0.002 . 1 . . . B 618 ARG CA . 18982 1 594 . 2 2 55 55 ARG CB C 13 34.186 0.002 . 1 . . . B 618 ARG CB . 18982 1 595 . 2 2 55 55 ARG CG C 13 27.663 0.002 . 1 . . . B 618 ARG CG . 18982 1 596 . 2 2 55 55 ARG CD C 13 43.318 0.002 . 1 . . . B 618 ARG CD . 18982 1 597 . 2 2 55 55 ARG N N 15 117.247 0.002 . 1 . . . B 618 ARG N . 18982 1 598 . 2 2 56 56 ILE H H 1 8.396 0.002 . 1 . . . B 619 ILE H . 18982 1 599 . 2 2 56 56 ILE HA H 1 4.387 0.002 . 1 . . . B 619 ILE HA . 18982 1 600 . 2 2 56 56 ILE HB H 1 1.482 0.002 . 1 . . . B 619 ILE HB . 18982 1 601 . 2 2 56 56 ILE HG12 H 1 1.103 0.002 . 1 . . . B 619 ILE HG12 . 18982 1 602 . 2 2 56 56 ILE HG13 H 1 0.568 0.002 . 1 . . . B 619 ILE HG13 . 18982 1 603 . 2 2 56 56 ILE HG21 H 1 0.771 0.002 . 1 . . . B 619 ILE HG21 . 18982 1 604 . 2 2 56 56 ILE HG22 H 1 0.771 0.002 . 1 . . . B 619 ILE HG22 . 18982 1 605 . 2 2 56 56 ILE HG23 H 1 0.771 0.002 . 1 . . . B 619 ILE HG23 . 18982 1 606 . 2 2 56 56 ILE HD11 H 1 0.617 0.002 . 1 . . . B 619 ILE HD11 . 18982 1 607 . 2 2 56 56 ILE HD12 H 1 0.617 0.002 . 1 . . . B 619 ILE HD12 . 18982 1 608 . 2 2 56 56 ILE HD13 H 1 0.617 0.002 . 1 . . . B 619 ILE HD13 . 18982 1 609 . 2 2 56 56 ILE CA C 13 61.885 0.002 . 1 . . . B 619 ILE CA . 18982 1 610 . 2 2 56 56 ILE CB C 13 41.035 0.002 . 1 . . . B 619 ILE CB . 18982 1 611 . 2 2 56 56 ILE CG1 C 13 27.896 0.002 . 1 . . . B 619 ILE CG1 . 18982 1 612 . 2 2 56 56 ILE CG2 C 13 17.879 0.002 . 1 . . . B 619 ILE CG2 . 18982 1 613 . 2 2 56 56 ILE CD1 C 13 13.966 0.002 . 1 . . . B 619 ILE CD1 . 18982 1 614 . 2 2 56 56 ILE N N 15 123.863 0.002 . 1 . . . B 619 ILE N . 18982 1 615 . 2 2 57 57 GLU H H 1 9.024 0.002 . 1 . . . B 620 GLU H . 18982 1 616 . 2 2 57 57 GLU HA H 1 4.771 0.002 . 1 . . . B 620 GLU HA . 18982 1 617 . 2 2 57 57 GLU HB2 H 1 2.080 0.002 . 1 . . . B 620 GLU HB2 . 18982 1 618 . 2 2 57 57 GLU HB3 H 1 1.823 0.002 . 1 . . . B 620 GLU HB3 . 18982 1 619 . 2 2 57 57 GLU HG2 H 1 2.176 0.002 . 1 . . . B 620 GLU HG2 . 18982 1 620 . 2 2 57 57 GLU HG3 H 1 2.139 0.002 . 1 . . . B 620 GLU HG3 . 18982 1 621 . 2 2 57 57 GLU CB C 13 33.534 0.002 . 1 . . . B 620 GLU CB . 18982 1 622 . 2 2 57 57 GLU CG C 13 36.469 0.002 . 1 . . . B 620 GLU CG . 18982 1 623 . 2 2 57 57 GLU N N 15 126.690 0.002 . 1 . . . B 620 GLU N . 18982 1 624 . 2 2 58 58 ASP H H 1 8.641 0.002 . 1 . . . B 621 ASP H . 18982 1 625 . 2 2 58 58 ASP HA H 1 4.688 0.002 . 1 . . . B 621 ASP HA . 18982 1 626 . 2 2 58 58 ASP HB2 H 1 2.749 0.002 . 1 . . . B 621 ASP HB2 . 18982 1 627 . 2 2 58 58 ASP HB3 H 1 2.600 0.002 . 1 . . . B 621 ASP HB3 . 18982 1 628 . 2 2 58 58 ASP CB C 13 41.035 0.002 . 1 . . . B 621 ASP CB . 18982 1 629 . 2 2 58 58 ASP N N 15 122.230 0.002 . 1 . . . B 621 ASP N . 18982 1 630 . 2 2 59 59 SER H H 1 8.039 0.002 . 1 . . . B 622 SER H . 18982 1 631 . 2 2 59 59 SER HA H 1 4.479 0.002 . 1 . . . B 622 SER HA . 18982 1 632 . 2 2 59 59 SER HB2 H 1 3.795 0.002 . 1 . . . B 622 SER HB2 . 18982 1 633 . 2 2 59 59 SER HB3 H 1 3.722 0.002 . 1 . . . B 622 SER HB3 . 18982 1 634 . 2 2 59 59 SER CA C 13 57.006 0.002 . 1 . . . B 622 SER CA . 18982 1 635 . 2 2 59 59 SER CB C 13 64.134 0.002 . 1 . . . B 622 SER CB . 18982 1 636 . 2 2 59 59 SER N N 15 115.524 0.002 . 1 . . . B 622 SER N . 18982 1 637 . 2 2 60 60 HIS H H 1 8.383 0.002 . 1 . . . B 623 HIS H . 18982 1 638 . 2 2 60 60 HIS HA H 1 4.495 0.002 . 1 . . . B 623 HIS HA . 18982 1 639 . 2 2 60 60 HIS HB2 H 1 3.232 0.002 . 1 . . . B 623 HIS HB2 . 18982 1 640 . 2 2 60 60 HIS HB3 H 1 3.232 0.002 . 1 . . . B 623 HIS HB3 . 18982 1 641 . 2 2 60 60 HIS CA C 13 56.982 0.002 . 1 . . . B 623 HIS CA . 18982 1 642 . 2 2 60 60 HIS CB C 13 29.294 0.002 . 1 . . . B 623 HIS CB . 18982 1 643 . 2 2 60 60 HIS N N 15 119.726 0.002 . 1 . . . B 623 HIS N . 18982 1 644 . 2 2 61 61 SER H H 1 8.321 0.002 . 1 . . . B 624 SER H . 18982 1 645 . 2 2 61 61 SER HA H 1 4.802 0.002 . 1 . . . B 624 SER HA . 18982 1 646 . 2 2 61 61 SER HB2 H 1 3.718 0.002 . 1 . . . B 624 SER HB2 . 18982 1 647 . 2 2 61 61 SER HB3 H 1 3.531 0.002 . 1 . . . B 624 SER HB3 . 18982 1 648 . 2 2 61 61 SER CB C 13 63.491 0.002 . 1 . . . B 624 SER CB . 18982 1 649 . 2 2 61 61 SER N N 15 117.517 0.002 . 1 . . . B 624 SER N . 18982 1 650 . 2 2 62 62 PRO HA H 1 4.330 0.002 . 1 . . . B 625 PRO HA . 18982 1 651 . 2 2 62 62 PRO HB2 H 1 2.261 0.002 . 1 . . . B 625 PRO HB2 . 18982 1 652 . 2 2 62 62 PRO HB3 H 1 1.888 0.002 . 1 . . . B 625 PRO HB3 . 18982 1 653 . 2 2 62 62 PRO HG2 H 1 2.089 0.002 . 1 . . . B 625 PRO HG2 . 18982 1 654 . 2 2 62 62 PRO HG3 H 1 1.987 0.002 . 1 . . . B 625 PRO HG3 . 18982 1 655 . 2 2 62 62 PRO HD2 H 1 3.917 0.002 . 1 . . . B 625 PRO HD2 . 18982 1 656 . 2 2 62 62 PRO HD3 H 1 3.693 0.002 . 1 . . . B 625 PRO HD3 . 18982 1 657 . 2 2 62 62 PRO CA C 13 63.491 0.002 . 1 . . . B 625 PRO CA . 18982 1 658 . 2 2 62 62 PRO CB C 13 31.903 0.002 . 1 . . . B 625 PRO CB . 18982 1 659 . 2 2 62 62 PRO CG C 13 27.663 0.002 . 1 . . . B 625 PRO CG . 18982 1 660 . 2 2 62 62 PRO CD C 13 50.953 0.002 . 1 . . . B 625 PRO CD . 18982 1 661 . 2 2 63 63 GLY H H 1 8.784 0.002 . 1 . . . B 626 GLY H . 18982 1 662 . 2 2 63 63 GLY HA2 H 1 4.136 0.002 . 1 . . . B 626 GLY HA2 . 18982 1 663 . 2 2 63 63 GLY HA3 H 1 3.726 0.002 . 1 . . . B 626 GLY HA3 . 18982 1 664 . 2 2 63 63 GLY CA C 13 45.601 0.002 . 1 . . . B 626 GLY CA . 18982 1 665 . 2 2 63 63 GLY N N 15 110.406 0.002 . 1 . . . B 626 GLY N . 18982 1 666 . 2 2 64 64 VAL H H 1 7.606 0.002 . 1 . . . B 627 VAL H . 18982 1 667 . 2 2 64 64 VAL HB H 1 1.905 0.002 . 1 . . . B 627 VAL HB . 18982 1 668 . 2 2 64 64 VAL HG11 H 1 0.835 0.002 . 1 . . . B 627 VAL HG11 . 18982 1 669 . 2 2 64 64 VAL HG12 H 1 0.835 0.002 . 1 . . . B 627 VAL HG12 . 18982 1 670 . 2 2 64 64 VAL HG13 H 1 0.835 0.002 . 1 . . . B 627 VAL HG13 . 18982 1 671 . 2 2 64 64 VAL HG21 H 1 0.747 0.002 . 1 . . . B 627 VAL HG21 . 18982 1 672 . 2 2 64 64 VAL HG22 H 1 0.747 0.002 . 1 . . . B 627 VAL HG22 . 18982 1 673 . 2 2 64 64 VAL HG23 H 1 0.747 0.002 . 1 . . . B 627 VAL HG23 . 18982 1 674 . 2 2 64 64 VAL CB C 13 34.326 0.002 . 1 . . . B 627 VAL CB . 18982 1 675 . 2 2 64 64 VAL CG1 C 13 21.793 0.002 . 1 . . . B 627 VAL CG1 . 18982 1 676 . 2 2 64 64 VAL CG2 C 13 21.467 0.002 . 1 . . . B 627 VAL CG2 . 18982 1 677 . 2 2 64 64 VAL N N 15 121.650 0.002 . 1 . . . B 627 VAL N . 18982 1 678 . 2 2 65 65 ALA H H 1 9.532 0.002 . 1 . . . B 628 ALA H . 18982 1 679 . 2 2 65 65 ALA HA H 1 4.980 0.002 . 1 . . . B 628 ALA HA . 18982 1 680 . 2 2 65 65 ALA HB1 H 1 1.316 0.002 . 1 . . . B 628 ALA HB1 . 18982 1 681 . 2 2 65 65 ALA HB2 H 1 1.316 0.002 . 1 . . . B 628 ALA HB2 . 18982 1 682 . 2 2 65 65 ALA HB3 H 1 1.316 0.002 . 1 . . . B 628 ALA HB3 . 18982 1 683 . 2 2 65 65 ALA CA C 13 50.310 0.002 . 1 . . . B 628 ALA CA . 18982 1 684 . 2 2 65 65 ALA CB C 13 23.097 0.002 . 1 . . . B 628 ALA CB . 18982 1 685 . 2 2 65 65 ALA N N 15 131.235 0.002 . 1 . . . B 628 ALA N . 18982 1 686 . 2 2 66 66 VAL H H 1 8.739 0.002 . 1 . . . B 629 VAL H . 18982 1 687 . 2 2 66 66 VAL HA H 1 4.783 0.002 . 1 . . . B 629 VAL HA . 18982 1 688 . 2 2 66 66 VAL HB H 1 1.795 0.002 . 1 . . . B 629 VAL HB . 18982 1 689 . 2 2 66 66 VAL HG11 H 1 0.790 0.002 . 1 . . . B 629 VAL HG11 . 18982 1 690 . 2 2 66 66 VAL HG12 H 1 0.790 0.002 . 1 . . . B 629 VAL HG12 . 18982 1 691 . 2 2 66 66 VAL HG13 H 1 0.790 0.002 . 1 . . . B 629 VAL HG13 . 18982 1 692 . 2 2 66 66 VAL HG21 H 1 0.732 0.002 . 1 . . . B 629 VAL HG21 . 18982 1 693 . 2 2 66 66 VAL HG22 H 1 0.732 0.002 . 1 . . . B 629 VAL HG22 . 18982 1 694 . 2 2 66 66 VAL HG23 H 1 0.732 0.002 . 1 . . . B 629 VAL HG23 . 18982 1 695 . 2 2 66 66 VAL CB C 13 32.882 0.002 . 1 . . . B 629 VAL CB . 18982 1 696 . 2 2 66 66 VAL CG1 C 13 20.814 0.002 . 1 . . . B 629 VAL CG1 . 18982 1 697 . 2 2 66 66 VAL CG2 C 13 20.814 0.002 . 1 . . . B 629 VAL CG2 . 18982 1 698 . 2 2 66 66 VAL N N 15 119.811 0.002 . 1 . . . B 629 VAL N . 18982 1 699 . 2 2 67 67 ILE H H 1 9.106 0.002 . 1 . . . B 630 ILE H . 18982 1 700 . 2 2 67 67 ILE HA H 1 4.570 0.002 . 1 . . . B 630 ILE HA . 18982 1 701 . 2 2 67 67 ILE HB H 1 1.376 0.002 . 1 . . . B 630 ILE HB . 18982 1 702 . 2 2 67 67 ILE HG12 H 1 1.374 0.002 . 1 . . . B 630 ILE HG12 . 18982 1 703 . 2 2 67 67 ILE HG13 H 1 0.723 0.002 . 1 . . . B 630 ILE HG13 . 18982 1 704 . 2 2 67 67 ILE HG21 H 1 -0.219 0.002 . 1 . . . B 630 ILE HG21 . 18982 1 705 . 2 2 67 67 ILE HG22 H 1 -0.219 0.002 . 1 . . . B 630 ILE HG22 . 18982 1 706 . 2 2 67 67 ILE HG23 H 1 -0.219 0.002 . 1 . . . B 630 ILE HG23 . 18982 1 707 . 2 2 67 67 ILE HD11 H 1 0.547 0.002 . 1 . . . B 630 ILE HD11 . 18982 1 708 . 2 2 67 67 ILE HD12 H 1 0.547 0.002 . 1 . . . B 630 ILE HD12 . 18982 1 709 . 2 2 67 67 ILE HD13 H 1 0.547 0.002 . 1 . . . B 630 ILE HD13 . 18982 1 710 . 2 2 67 67 ILE CA C 13 59.633 0.002 . 1 . . . B 630 ILE CA . 18982 1 711 . 2 2 67 67 ILE CB C 13 40.113 0.002 . 1 . . . B 630 ILE CB . 18982 1 712 . 2 2 67 67 ILE CG1 C 13 27.337 0.002 . 1 . . . B 630 ILE CG1 . 18982 1 713 . 2 2 67 67 ILE CG2 C 13 17.930 0.002 . 1 . . . B 630 ILE CG2 . 18982 1 714 . 2 2 67 67 ILE CD1 C 13 14.944 0.002 . 1 . . . B 630 ILE CD1 . 18982 1 715 . 2 2 67 67 ILE N N 15 128.562 0.002 . 1 . . . B 630 ILE N . 18982 1 716 . 2 2 68 68 GLN H H 1 8.345 0.002 . 1 . . . B 631 GLN H . 18982 1 717 . 2 2 68 68 GLN HA H 1 5.026 0.002 . 1 . . . B 631 GLN HA . 18982 1 718 . 2 2 68 68 GLN HB2 H 1 1.858 0.002 . 1 . . . B 631 GLN HB2 . 18982 1 719 . 2 2 68 68 GLN HB3 H 1 1.858 0.002 . 1 . . . B 631 GLN HB3 . 18982 1 720 . 2 2 68 68 GLN HG2 H 1 2.135 0.002 . 1 . . . B 631 GLN HG2 . 18982 1 721 . 2 2 68 68 GLN HG3 H 1 2.135 0.002 . 1 . . . B 631 GLN HG3 . 18982 1 722 . 2 2 68 68 GLN HE21 H 1 7.608 0.002 . 1 . . . B 631 GLN HE21 . 18982 1 723 . 2 2 68 68 GLN HE22 H 1 6.791 0.002 . 1 . . . B 631 GLN HE22 . 18982 1 724 . 2 2 68 68 GLN CA C 13 54.168 0.002 . 1 . . . B 631 GLN CA . 18982 1 725 . 2 2 68 68 GLN CB C 13 31.111 0.002 . 1 . . . B 631 GLN CB . 18982 1 726 . 2 2 68 68 GLN CG C 13 33.534 0.002 . 1 . . . B 631 GLN CG . 18982 1 727 . 2 2 68 68 GLN N N 15 125.635 0.002 . 1 . . . B 631 GLN N . 18982 1 728 . 2 2 68 68 GLN NE2 N 15 112.521 0.002 . 1 . . . B 631 GLN NE2 . 18982 1 729 . 2 2 69 69 PHE H H 1 9.539 0.002 . 1 . . . B 632 PHE H . 18982 1 730 . 2 2 69 69 PHE HA H 1 5.433 0.002 . 1 . . . B 632 PHE HA . 18982 1 731 . 2 2 69 69 PHE HB2 H 1 2.666 0.002 . 1 . . . B 632 PHE HB2 . 18982 1 732 . 2 2 69 69 PHE HB3 H 1 2.587 0.002 . 1 . . . B 632 PHE HB3 . 18982 1 733 . 2 2 69 69 PHE HD1 H 1 6.702 0.002 . 1 . . . B 632 PHE HD1 . 18982 1 734 . 2 2 69 69 PHE HD2 H 1 6.702 0.002 . 1 . . . B 632 PHE HD2 . 18982 1 735 . 2 2 69 69 PHE HE1 H 1 6.919 0.002 . 1 . . . B 632 PHE HE1 . 18982 1 736 . 2 2 69 69 PHE HE2 H 1 6.919 0.002 . 1 . . . B 632 PHE HE2 . 18982 1 737 . 2 2 69 69 PHE HZ H 1 6.118 0.002 . 1 . . . B 632 PHE HZ . 18982 1 738 . 2 2 69 69 PHE CA C 13 56.740 0.002 . 1 . . . B 632 PHE CA . 18982 1 739 . 2 2 69 69 PHE CB C 13 43.644 0.002 . 1 . . . B 632 PHE CB . 18982 1 740 . 2 2 69 69 PHE CD2 C 13 131.480 0.002 . 1 . . . B 632 PHE CD2 . 18982 1 741 . 2 2 69 69 PHE CE2 C 13 131.207 0.002 . 1 . . . B 632 PHE CE2 . 18982 1 742 . 2 2 69 69 PHE CZ C 13 129.566 0.002 . 1 . . . B 632 PHE CZ . 18982 1 743 . 2 2 69 69 PHE N N 15 125.866 0.002 . 1 . . . B 632 PHE N . 18982 1 744 . 2 2 70 70 ALA H H 1 9.028 0.002 . 1 . . . B 633 ALA H . 18982 1 745 . 2 2 70 70 ALA HA H 1 4.865 0.002 . 1 . . . B 633 ALA HA . 18982 1 746 . 2 2 70 70 ALA HB1 H 1 1.184 0.002 . 1 . . . B 633 ALA HB1 . 18982 1 747 . 2 2 70 70 ALA HB2 H 1 1.184 0.002 . 1 . . . B 633 ALA HB2 . 18982 1 748 . 2 2 70 70 ALA HB3 H 1 1.184 0.002 . 1 . . . B 633 ALA HB3 . 18982 1 749 . 2 2 70 70 ALA CB C 13 19.859 0.002 . 1 . . . B 633 ALA CB . 18982 1 750 . 2 2 70 70 ALA N N 15 122.927 0.002 . 1 . . . B 633 ALA N . 18982 1 751 . 2 2 71 71 VAL H H 1 9.811 0.002 . 1 . . . B 634 VAL H . 18982 1 752 . 2 2 71 71 VAL HA H 1 4.429 0.002 . 1 . . . B 634 VAL HA . 18982 1 753 . 2 2 71 71 VAL HB H 1 1.900 0.002 . 1 . . . B 634 VAL HB . 18982 1 754 . 2 2 71 71 VAL HG11 H 1 0.833 0.002 . 1 . . . B 634 VAL HG11 . 18982 1 755 . 2 2 71 71 VAL HG12 H 1 0.833 0.002 . 1 . . . B 634 VAL HG12 . 18982 1 756 . 2 2 71 71 VAL HG13 H 1 0.833 0.002 . 1 . . . B 634 VAL HG13 . 18982 1 757 . 2 2 71 71 VAL HG21 H 1 0.765 0.002 . 1 . . . B 634 VAL HG21 . 18982 1 758 . 2 2 71 71 VAL HG22 H 1 0.765 0.002 . 1 . . . B 634 VAL HG22 . 18982 1 759 . 2 2 71 71 VAL HG23 H 1 0.765 0.002 . 1 . . . B 634 VAL HG23 . 18982 1 760 . 2 2 71 71 VAL CB C 13 33.860 0.002 . 1 . . . B 634 VAL CB . 18982 1 761 . 2 2 71 71 VAL CG1 C 13 21.467 0.002 . 1 . . . B 634 VAL CG1 . 18982 1 762 . 2 2 71 71 VAL CG2 C 13 21.788 0.002 . 1 . . . B 634 VAL CG2 . 18982 1 763 . 2 2 71 71 VAL N N 15 126.527 0.002 . 1 . . . B 634 VAL N . 18982 1 764 . 2 2 72 72 GLY H H 1 8.705 0.002 . 1 . . . B 635 GLY H . 18982 1 765 . 2 2 72 72 GLY HA2 H 1 4.227 0.002 . 1 . . . B 635 GLY HA2 . 18982 1 766 . 2 2 72 72 GLY HA3 H 1 4.149 0.002 . 1 . . . B 635 GLY HA3 . 18982 1 767 . 2 2 72 72 GLY CA C 13 45.275 0.002 . 1 . . . B 635 GLY CA . 18982 1 768 . 2 2 72 72 GLY N N 15 114.109 0.002 . 1 . . . B 635 GLY N . 18982 1 769 . 2 2 73 73 GLU H H 1 9.078 0.002 . 1 . . . B 636 GLU H . 18982 1 770 . 2 2 73 73 GLU HA H 1 3.977 0.002 . 1 . . . B 636 GLU HA . 18982 1 771 . 2 2 73 73 GLU HB2 H 1 1.895 0.002 . 1 . . . B 636 GLU HB2 . 18982 1 772 . 2 2 73 73 GLU HB3 H 1 1.771 0.002 . 1 . . . B 636 GLU HB3 . 18982 1 773 . 2 2 73 73 GLU HG2 H 1 1.995 0.002 . 1 . . . B 636 GLU HG2 . 18982 1 774 . 2 2 73 73 GLU HG3 H 1 1.995 0.002 . 1 . . . B 636 GLU HG3 . 18982 1 775 . 2 2 73 73 GLU CA C 13 58.669 0.002 . 1 . . . B 636 GLU CA . 18982 1 776 . 2 2 73 73 GLU CB C 13 29.620 0.002 . 1 . . . B 636 GLU CB . 18982 1 777 . 2 2 73 73 GLU CG C 13 35.817 0.002 . 1 . . . B 636 GLU CG . 18982 1 778 . 2 2 73 73 GLU N N 15 121.428 0.002 . 1 . . . B 636 GLU N . 18982 1 779 . 2 2 74 74 HIS H H 1 8.630 0.002 . 1 . . . B 637 HIS H . 18982 1 780 . 2 2 74 74 HIS HA H 1 4.636 0.002 . 1 . . . B 637 HIS HA . 18982 1 781 . 2 2 74 74 HIS HB2 H 1 3.322 0.002 . 1 . . . B 637 HIS HB2 . 18982 1 782 . 2 2 74 74 HIS HB3 H 1 3.106 0.002 . 1 . . . B 637 HIS HB3 . 18982 1 783 . 2 2 74 74 HIS CB C 13 28.642 0.002 . 1 . . . B 637 HIS CB . 18982 1 784 . 2 2 74 74 HIS N N 15 114.329 0.002 . 1 . . . B 637 HIS N . 18982 1 785 . 2 2 75 75 ARG H H 1 7.870 0.002 . 1 . . . B 638 ARG H . 18982 1 786 . 2 2 75 75 ARG HA H 1 3.272 0.002 . 1 . . . B 638 ARG HA . 18982 1 787 . 2 2 75 75 ARG HB2 H 1 1.950 0.002 . 1 . . . B 638 ARG HB2 . 18982 1 788 . 2 2 75 75 ARG HB3 H 1 1.729 0.002 . 1 . . . B 638 ARG HB3 . 18982 1 789 . 2 2 75 75 ARG HG2 H 1 1.505 0.002 . 1 . . . B 638 ARG HG2 . 18982 1 790 . 2 2 75 75 ARG HG3 H 1 1.420 0.002 . 1 . . . B 638 ARG HG3 . 18982 1 791 . 2 2 75 75 ARG HD2 H 1 3.231 0.002 . 1 . . . B 638 ARG HD2 . 18982 1 792 . 2 2 75 75 ARG HD3 H 1 3.093 0.002 . 1 . . . B 638 ARG HD3 . 18982 1 793 . 2 2 75 75 ARG CA C 13 56.740 0.002 . 1 . . . B 638 ARG CA . 18982 1 794 . 2 2 75 75 ARG CB C 13 27.011 0.002 . 1 . . . B 638 ARG CB . 18982 1 795 . 2 2 75 75 ARG CG C 13 27.337 0.002 . 1 . . . B 638 ARG CG . 18982 1 796 . 2 2 75 75 ARG CD C 13 42.992 0.002 . 1 . . . B 638 ARG CD . 18982 1 797 . 2 2 75 75 ARG N N 15 117.467 0.002 . 1 . . . B 638 ARG N . 18982 1 798 . 2 2 76 76 ALA H H 1 7.807 0.002 . 1 . . . B 639 ALA H . 18982 1 799 . 2 2 76 76 ALA HA H 1 4.221 0.002 . 1 . . . B 639 ALA HA . 18982 1 800 . 2 2 76 76 ALA HB1 H 1 1.317 0.002 . 1 . . . B 639 ALA HB1 . 18982 1 801 . 2 2 76 76 ALA HB2 H 1 1.317 0.002 . 1 . . . B 639 ALA HB2 . 18982 1 802 . 2 2 76 76 ALA HB3 H 1 1.317 0.002 . 1 . . . B 639 ALA HB3 . 18982 1 803 . 2 2 76 76 ALA CA C 13 52.560 0.002 . 1 . . . B 639 ALA CA . 18982 1 804 . 2 2 76 76 ALA CB C 13 19.216 0.002 . 1 . . . B 639 ALA CB . 18982 1 805 . 2 2 76 76 ALA N N 15 122.200 0.002 . 1 . . . B 639 ALA N . 18982 1 806 . 2 2 77 77 GLN H H 1 8.603 0.002 . 1 . . . B 640 GLN H . 18982 1 807 . 2 2 77 77 GLN HA H 1 5.001 0.002 . 1 . . . B 640 GLN HA . 18982 1 808 . 2 2 77 77 GLN HB2 H 1 2.029 0.002 . 1 . . . B 640 GLN HB2 . 18982 1 809 . 2 2 77 77 GLN HB3 H 1 1.923 0.002 . 1 . . . B 640 GLN HB3 . 18982 1 810 . 2 2 77 77 GLN HG2 H 1 2.422 0.002 . 1 . . . B 640 GLN HG2 . 18982 1 811 . 2 2 77 77 GLN HG3 H 1 2.313 0.002 . 1 . . . B 640 GLN HG3 . 18982 1 812 . 2 2 77 77 GLN HE21 H 1 7.744 0.002 . 1 . . . B 640 GLN HE21 . 18982 1 813 . 2 2 77 77 GLN HE22 H 1 6.825 0.002 . 1 . . . B 640 GLN HE22 . 18982 1 814 . 2 2 77 77 GLN CA C 13 55.026 0.002 . 1 . . . B 640 GLN CA . 18982 1 815 . 2 2 77 77 GLN CB C 13 29.620 0.002 . 1 . . . B 640 GLN CB . 18982 1 816 . 2 2 77 77 GLN CG C 13 34.004 0.002 . 1 . . . B 640 GLN CG . 18982 1 817 . 2 2 77 77 GLN N N 15 122.608 0.002 . 1 . . . B 640 GLN N . 18982 1 818 . 2 2 77 77 GLN NE2 N 15 112.842 0.002 . 1 . . . B 640 GLN NE2 . 18982 1 819 . 2 2 78 78 VAL H H 1 8.761 0.002 . 1 . . . B 641 VAL H . 18982 1 820 . 2 2 78 78 VAL HA H 1 4.423 0.002 . 1 . . . B 641 VAL HA . 18982 1 821 . 2 2 78 78 VAL HB H 1 1.876 0.002 . 1 . . . B 641 VAL HB . 18982 1 822 . 2 2 78 78 VAL HG11 H 1 0.891 0.002 . 1 . . . B 641 VAL HG11 . 18982 1 823 . 2 2 78 78 VAL HG12 H 1 0.891 0.002 . 1 . . . B 641 VAL HG12 . 18982 1 824 . 2 2 78 78 VAL HG13 H 1 0.891 0.002 . 1 . . . B 641 VAL HG13 . 18982 1 825 . 2 2 78 78 VAL HG21 H 1 0.812 0.002 . 1 . . . B 641 VAL HG21 . 18982 1 826 . 2 2 78 78 VAL HG22 H 1 0.812 0.002 . 1 . . . B 641 VAL HG22 . 18982 1 827 . 2 2 78 78 VAL HG23 H 1 0.812 0.002 . 1 . . . B 641 VAL HG23 . 18982 1 828 . 2 2 78 78 VAL CA C 13 61.240 0.002 . 1 . . . B 641 VAL CA . 18982 1 829 . 2 2 78 78 VAL CB C 13 36.143 0.002 . 1 . . . B 641 VAL CB . 18982 1 830 . 2 2 78 78 VAL CG1 C 13 21.145 0.002 . 1 . . . B 641 VAL CG1 . 18982 1 831 . 2 2 78 78 VAL CG2 C 13 21.141 0.002 . 1 . . . B 641 VAL CG2 . 18982 1 832 . 2 2 78 78 VAL N N 15 125.237 0.002 . 1 . . . B 641 VAL N . 18982 1 833 . 2 2 79 79 SER H H 1 8.604 0.002 . 1 . . . B 642 SER H . 18982 1 834 . 2 2 79 79 SER HA H 1 5.689 0.002 . 1 . . . B 642 SER HA . 18982 1 835 . 2 2 79 79 SER HB2 H 1 3.641 0.002 . 1 . . . B 642 SER HB2 . 18982 1 836 . 2 2 79 79 SER HB3 H 1 3.604 0.002 . 1 . . . B 642 SER HB3 . 18982 1 837 . 2 2 79 79 SER CA C 13 56.740 0.002 . 1 . . . B 642 SER CA . 18982 1 838 . 2 2 79 79 SER CB C 13 64.455 0.002 . 1 . . . B 642 SER CB . 18982 1 839 . 2 2 79 79 SER N N 15 121.692 0.002 . 1 . . . B 642 SER N . 18982 1 840 . 2 2 80 80 VAL H H 1 9.101 0.002 . 1 . . . B 643 VAL H . 18982 1 841 . 2 2 80 80 VAL HA H 1 4.681 0.002 . 1 . . . B 643 VAL HA . 18982 1 842 . 2 2 80 80 VAL HB H 1 2.129 0.002 . 1 . . . B 643 VAL HB . 18982 1 843 . 2 2 80 80 VAL HG11 H 1 1.053 0.002 . 1 . . . B 643 VAL HG11 . 18982 1 844 . 2 2 80 80 VAL HG12 H 1 1.053 0.002 . 1 . . . B 643 VAL HG12 . 18982 1 845 . 2 2 80 80 VAL HG13 H 1 1.053 0.002 . 1 . . . B 643 VAL HG13 . 18982 1 846 . 2 2 80 80 VAL HG21 H 1 1.005 0.002 . 1 . . . B 643 VAL HG21 . 18982 1 847 . 2 2 80 80 VAL HG22 H 1 1.005 0.002 . 1 . . . B 643 VAL HG22 . 18982 1 848 . 2 2 80 80 VAL HG23 H 1 1.005 0.002 . 1 . . . B 643 VAL HG23 . 18982 1 849 . 2 2 80 80 VAL CB C 13 35.817 0.002 . 1 . . . B 643 VAL CB . 18982 1 850 . 2 2 80 80 VAL CG1 C 13 20.814 0.002 . 1 . . . B 643 VAL CG1 . 18982 1 851 . 2 2 80 80 VAL CG2 C 13 21.793 0.002 . 1 . . . B 643 VAL CG2 . 18982 1 852 . 2 2 80 80 VAL N N 15 121.468 0.002 . 1 . . . B 643 VAL N . 18982 1 853 . 2 2 81 81 GLU H H 1 8.274 0.002 . 1 . . . B 644 GLU H . 18982 1 854 . 2 2 81 81 GLU HA H 1 5.334 0.002 . 1 . . . B 644 GLU HA . 18982 1 855 . 2 2 81 81 GLU HB2 H 1 1.833 0.002 . 1 . . . B 644 GLU HB2 . 18982 1 856 . 2 2 81 81 GLU HB3 H 1 1.833 0.002 . 1 . . . B 644 GLU HB3 . 18982 1 857 . 2 2 81 81 GLU HG2 H 1 2.225 0.002 . 1 . . . B 644 GLU HG2 . 18982 1 858 . 2 2 81 81 GLU HG3 H 1 2.006 0.002 . 1 . . . B 644 GLU HG3 . 18982 1 859 . 2 2 81 81 GLU CA C 13 55.132 0.002 . 1 . . . B 644 GLU CA . 18982 1 860 . 2 2 81 81 GLU CB C 13 30.925 0.002 . 1 . . . B 644 GLU CB . 18982 1 861 . 2 2 81 81 GLU CG C 13 37.447 0.002 . 1 . . . B 644 GLU CG . 18982 1 862 . 2 2 81 81 GLU N N 15 123.942 0.002 . 1 . . . B 644 GLU N . 18982 1 863 . 2 2 82 82 VAL H H 1 9.022 0.002 . 1 . . . B 645 VAL H . 18982 1 864 . 2 2 82 82 VAL HB H 1 2.138 0.002 . 1 . . . B 645 VAL HB . 18982 1 865 . 2 2 82 82 VAL HG11 H 1 0.981 0.002 . 1 . . . B 645 VAL HG11 . 18982 1 866 . 2 2 82 82 VAL HG12 H 1 0.981 0.002 . 1 . . . B 645 VAL HG12 . 18982 1 867 . 2 2 82 82 VAL HG13 H 1 0.981 0.002 . 1 . . . B 645 VAL HG13 . 18982 1 868 . 2 2 82 82 VAL HG21 H 1 0.841 0.002 . 1 . . . B 645 VAL HG21 . 18982 1 869 . 2 2 82 82 VAL HG22 H 1 0.841 0.002 . 1 . . . B 645 VAL HG22 . 18982 1 870 . 2 2 82 82 VAL HG23 H 1 0.841 0.002 . 1 . . . B 645 VAL HG23 . 18982 1 871 . 2 2 82 82 VAL CB C 13 36.143 0.002 . 1 . . . B 645 VAL CB . 18982 1 872 . 2 2 82 82 VAL CG1 C 13 19.537 0.002 . 1 . . . B 645 VAL CG1 . 18982 1 873 . 2 2 82 82 VAL CG2 C 13 21.793 0.002 . 1 . . . B 645 VAL CG2 . 18982 1 874 . 2 2 82 82 VAL N N 15 117.871 0.002 . 1 . . . B 645 VAL N . 18982 1 875 . 2 2 83 83 LEU H H 1 8.411 0.002 . 1 . . . B 646 LEU H . 18982 1 876 . 2 2 83 83 LEU HA H 1 4.752 0.002 . 1 . . . B 646 LEU HA . 18982 1 877 . 2 2 83 83 LEU HB2 H 1 1.899 0.002 . 1 . . . B 646 LEU HB2 . 18982 1 878 . 2 2 83 83 LEU HB3 H 1 1.608 0.002 . 1 . . . B 646 LEU HB3 . 18982 1 879 . 2 2 83 83 LEU HG H 1 1.787 0.002 . 1 . . . B 646 LEU HG . 18982 1 880 . 2 2 83 83 LEU HD11 H 1 0.934 0.002 . 1 . . . B 646 LEU HD11 . 18982 1 881 . 2 2 83 83 LEU HD12 H 1 0.934 0.002 . 1 . . . B 646 LEU HD12 . 18982 1 882 . 2 2 83 83 LEU HD13 H 1 0.934 0.002 . 1 . . . B 646 LEU HD13 . 18982 1 883 . 2 2 83 83 LEU HD21 H 1 0.932 0.002 . 1 . . . B 646 LEU HD21 . 18982 1 884 . 2 2 83 83 LEU HD22 H 1 0.932 0.002 . 1 . . . B 646 LEU HD22 . 18982 1 885 . 2 2 83 83 LEU HD23 H 1 0.932 0.002 . 1 . . . B 646 LEU HD23 . 18982 1 886 . 2 2 83 83 LEU CB C 13 41.361 0.002 . 1 . . . B 646 LEU CB . 18982 1 887 . 2 2 83 83 LEU CG C 13 27.575 0.002 . 1 . . . B 646 LEU CG . 18982 1 888 . 2 2 83 83 LEU CD1 C 13 26.033 0.002 . 1 . . . B 646 LEU CD1 . 18982 1 889 . 2 2 83 83 LEU CD2 C 13 22.771 0.002 . 1 . . . B 646 LEU CD2 . 18982 1 890 . 2 2 83 83 LEU N N 15 123.086 0.002 . 1 . . . B 646 LEU N . 18982 1 891 . 2 2 84 84 VAL H H 1 8.065 0.002 . 1 . . . B 647 VAL H . 18982 1 892 . 2 2 84 84 VAL HA H 1 3.795 0.002 . 1 . . . B 647 VAL HA . 18982 1 893 . 2 2 84 84 VAL HB H 1 2.058 0.002 . 1 . . . B 647 VAL HB . 18982 1 894 . 2 2 84 84 VAL HG11 H 1 0.920 0.002 . 1 . . . B 647 VAL HG11 . 18982 1 895 . 2 2 84 84 VAL HG12 H 1 0.920 0.002 . 1 . . . B 647 VAL HG12 . 18982 1 896 . 2 2 84 84 VAL HG13 H 1 0.920 0.002 . 1 . . . B 647 VAL HG13 . 18982 1 897 . 2 2 84 84 VAL HG21 H 1 0.969 0.002 . 1 . . . B 647 VAL HG21 . 18982 1 898 . 2 2 84 84 VAL HG22 H 1 0.969 0.002 . 1 . . . B 647 VAL HG22 . 18982 1 899 . 2 2 84 84 VAL HG23 H 1 0.969 0.002 . 1 . . . B 647 VAL HG23 . 18982 1 900 . 2 2 84 84 VAL CA C 13 65.741 0.002 . 1 . . . B 647 VAL CA . 18982 1 901 . 2 2 84 84 VAL CB C 13 31.432 0.002 . 1 . . . B 647 VAL CB . 18982 1 902 . 2 2 84 84 VAL CG1 C 13 22.119 0.002 . 1 . . . B 647 VAL CG1 . 18982 1 903 . 2 2 84 84 VAL CG2 C 13 18.573 0.002 . 1 . . . B 647 VAL CG2 . 18982 1 904 . 2 2 84 84 VAL N N 15 114.932 0.002 . 1 . . . B 647 VAL N . 18982 1 905 . 2 2 85 85 GLU H H 1 9.985 0.002 . 1 . . . B 648 GLU H . 18982 1 906 . 2 2 85 85 GLU HA H 1 4.287 0.002 . 1 . . . B 648 GLU HA . 18982 1 907 . 2 2 85 85 GLU HB2 H 1 1.943 0.002 . 1 . . . B 648 GLU HB2 . 18982 1 908 . 2 2 85 85 GLU HB3 H 1 1.710 0.002 . 1 . . . B 648 GLU HB3 . 18982 1 909 . 2 2 85 85 GLU HG2 H 1 2.167 0.002 . 1 . . . B 648 GLU HG2 . 18982 1 910 . 2 2 85 85 GLU HG3 H 1 1.986 0.002 . 1 . . . B 648 GLU HG3 . 18982 1 911 . 2 2 85 85 GLU CA C 13 55.770 0.002 . 1 . . . B 648 GLU CA . 18982 1 912 . 2 2 85 85 GLU CB C 13 29.946 0.002 . 1 . . . B 648 GLU CB . 18982 1 913 . 2 2 85 85 GLU CG C 13 35.817 0.002 . 1 . . . B 648 GLU CG . 18982 1 914 . 2 2 85 85 GLU N N 15 116.003 0.002 . 1 . . . B 648 GLU N . 18982 1 915 . 2 2 86 86 TYR H H 1 8.176 0.002 . 1 . . . B 649 TYR H . 18982 1 916 . 2 2 86 86 TYR HA H 1 3.843 0.002 . 1 . . . B 649 TYR HA . 18982 1 917 . 2 2 86 86 TYR HB2 H 1 3.075 0.002 . 1 . . . B 649 TYR HB2 . 18982 1 918 . 2 2 86 86 TYR HB3 H 1 2.953 0.002 . 1 . . . B 649 TYR HB3 . 18982 1 919 . 2 2 86 86 TYR HD1 H 1 6.493 0.002 . 1 . . . B 649 TYR HD1 . 18982 1 920 . 2 2 86 86 TYR HD2 H 1 6.493 0.002 . 1 . . . B 649 TYR HD2 . 18982 1 921 . 2 2 86 86 TYR HE1 H 1 6.378 0.002 . 1 . . . B 649 TYR HE1 . 18982 1 922 . 2 2 86 86 TYR HE2 H 1 6.378 0.002 . 1 . . . B 649 TYR HE2 . 18982 1 923 . 2 2 86 86 TYR CA C 13 57.061 0.002 . 1 . . . B 649 TYR CA . 18982 1 924 . 2 2 86 86 TYR CB C 13 39.730 0.002 . 1 . . . B 649 TYR CB . 18982 1 925 . 2 2 86 86 TYR CD1 C 13 133.121 0.002 . 1 . . . B 649 TYR CD1 . 18982 1 926 . 2 2 86 86 TYR CE1 C 13 118.629 0.002 . 1 . . . B 649 TYR CE1 . 18982 1 927 . 2 2 86 86 TYR N N 15 125.973 0.002 . 1 . . . B 649 TYR N . 18982 1 928 . 2 2 87 87 PRO HB2 H 1 1.524 0.002 . 1 . . . B 650 PRO HB2 . 18982 1 929 . 2 2 87 87 PRO HB3 H 1 1.361 0.002 . 1 . . . B 650 PRO HB3 . 18982 1 930 . 2 2 87 87 PRO HG2 H 1 0.326 0.002 . 1 . . . B 650 PRO HG2 . 18982 1 931 . 2 2 87 87 PRO HG3 H 1 0.133 0.002 . 1 . . . B 650 PRO HG3 . 18982 1 932 . 2 2 87 87 PRO HD2 H 1 3.120 0.002 . 1 . . . B 650 PRO HD2 . 18982 1 933 . 2 2 87 87 PRO HD3 H 1 1.345 0.002 . 1 . . . B 650 PRO HD3 . 18982 1 934 . 2 2 87 87 PRO CB C 13 31.903 0.002 . 1 . . . B 650 PRO CB . 18982 1 935 . 2 2 87 87 PRO CG C 13 25.324 0.002 . 1 . . . B 650 PRO CG . 18982 1 936 . 2 2 87 87 PRO CD C 13 49.345 0.002 . 1 . . . B 650 PRO CD . 18982 1 937 . 2 2 88 88 PHE H H 1 9.292 0.002 . 1 . . . B 651 PHE H . 18982 1 938 . 2 2 88 88 PHE HA H 1 4.840 0.002 . 1 . . . B 651 PHE HA . 18982 1 939 . 2 2 88 88 PHE HB2 H 1 3.189 0.002 . 1 . . . B 651 PHE HB2 . 18982 1 940 . 2 2 88 88 PHE HB3 H 1 2.733 0.002 . 1 . . . B 651 PHE HB3 . 18982 1 941 . 2 2 88 88 PHE HD1 H 1 7.488 0.002 . 1 . . . B 651 PHE HD1 . 18982 1 942 . 2 2 88 88 PHE HD2 H 1 7.488 0.002 . 1 . . . B 651 PHE HD2 . 18982 1 943 . 2 2 88 88 PHE HE1 H 1 7.311 0.002 . 1 . . . B 651 PHE HE1 . 18982 1 944 . 2 2 88 88 PHE HE2 H 1 7.311 0.002 . 1 . . . B 651 PHE HE2 . 18982 1 945 . 2 2 88 88 PHE HZ H 1 7.154 0.002 . 1 . . . B 651 PHE HZ . 18982 1 946 . 2 2 88 88 PHE CB C 13 43.006 0.002 . 1 . . . B 651 PHE CB . 18982 1 947 . 2 2 88 88 PHE CD1 C 13 132.574 0.002 . 1 . . . B 651 PHE CD1 . 18982 1 948 . 2 2 88 88 PHE CE1 C 13 131.207 0.002 . 1 . . . B 651 PHE CE1 . 18982 1 949 . 2 2 88 88 PHE CZ C 13 128.746 0.002 . 1 . . . B 651 PHE CZ . 18982 1 950 . 2 2 88 88 PHE N N 15 119.050 0.002 . 1 . . . B 651 PHE N . 18982 1 951 . 2 2 89 89 PHE H H 1 9.883 0.002 . 1 . . . B 652 PHE H . 18982 1 952 . 2 2 89 89 PHE HA H 1 3.933 0.002 . 1 . . . B 652 PHE HA . 18982 1 953 . 2 2 89 89 PHE HB2 H 1 2.466 0.002 . 1 . . . B 652 PHE HB2 . 18982 1 954 . 2 2 89 89 PHE HB3 H 1 1.853 0.002 . 1 . . . B 652 PHE HB3 . 18982 1 955 . 2 2 89 89 PHE HD1 H 1 5.224 0.002 . 1 . . . B 652 PHE HD1 . 18982 1 956 . 2 2 89 89 PHE HD2 H 1 5.224 0.002 . 1 . . . B 652 PHE HD2 . 18982 1 957 . 2 2 89 89 PHE HE1 H 1 6.811 0.002 . 1 . . . B 652 PHE HE1 . 18982 1 958 . 2 2 89 89 PHE HE2 H 1 6.811 0.002 . 1 . . . B 652 PHE HE2 . 18982 1 959 . 2 2 89 89 PHE HZ H 1 6.917 0.002 . 1 . . . B 652 PHE HZ . 18982 1 960 . 2 2 89 89 PHE CA C 13 58.026 0.002 . 1 . . . B 652 PHE CA . 18982 1 961 . 2 2 89 89 PHE CB C 13 39.078 0.002 . 1 . . . B 652 PHE CB . 18982 1 962 . 2 2 89 89 PHE CD2 C 13 131.207 0.002 . 1 . . . B 652 PHE CD2 . 18982 1 963 . 2 2 89 89 PHE CE2 C 13 130.933 0.002 . 1 . . . B 652 PHE CE2 . 18982 1 964 . 2 2 89 89 PHE CZ C 13 129.019 0.002 . 1 . . . B 652 PHE CZ . 18982 1 965 . 2 2 89 89 PHE N N 15 125.897 0.002 . 1 . . . B 652 PHE N . 18982 1 966 . 2 2 90 90 VAL H H 1 7.804 0.002 . 1 . . . B 653 VAL H . 18982 1 967 . 2 2 90 90 VAL HA H 1 4.623 0.002 . 1 . . . B 653 VAL HA . 18982 1 968 . 2 2 90 90 VAL HB H 1 1.804 0.002 . 1 . . . B 653 VAL HB . 18982 1 969 . 2 2 90 90 VAL HG11 H 1 1.004 0.002 . 1 . . . B 653 VAL HG11 . 18982 1 970 . 2 2 90 90 VAL HG12 H 1 1.004 0.002 . 1 . . . B 653 VAL HG12 . 18982 1 971 . 2 2 90 90 VAL HG13 H 1 1.004 0.002 . 1 . . . B 653 VAL HG13 . 18982 1 972 . 2 2 90 90 VAL HG21 H 1 0.963 0.002 . 1 . . . B 653 VAL HG21 . 18982 1 973 . 2 2 90 90 VAL HG22 H 1 0.963 0.002 . 1 . . . B 653 VAL HG22 . 18982 1 974 . 2 2 90 90 VAL HG23 H 1 0.963 0.002 . 1 . . . B 653 VAL HG23 . 18982 1 975 . 2 2 90 90 VAL CB C 13 33.208 0.002 . 1 . . . B 653 VAL CB . 18982 1 976 . 2 2 90 90 VAL CG1 C 13 20.814 0.002 . 1 . . . B 653 VAL CG1 . 18982 1 977 . 2 2 90 90 VAL CG2 C 13 23.717 0.002 . 1 . . . B 653 VAL CG2 . 18982 1 978 . 2 2 90 90 VAL N N 15 130.403 0.002 . 1 . . . B 653 VAL N . 18982 1 979 . 2 2 91 91 PHE H H 1 9.151 0.002 . 1 . . . B 654 PHE H . 18982 1 980 . 2 2 91 91 PHE HA H 1 3.991 0.002 . 1 . . . B 654 PHE HA . 18982 1 981 . 2 2 91 91 PHE HB2 H 1 3.117 0.002 . 1 . . . B 654 PHE HB2 . 18982 1 982 . 2 2 91 91 PHE HB3 H 1 2.980 0.002 . 1 . . . B 654 PHE HB3 . 18982 1 983 . 2 2 91 91 PHE CB C 13 39.404 0.002 . 1 . . . B 654 PHE CB . 18982 1 984 . 2 2 91 91 PHE N N 15 129.139 0.002 . 1 . . . B 654 PHE N . 18982 1 985 . 2 2 92 92 GLY H H 1 8.841 0.002 . 1 . . . B 655 GLY H . 18982 1 986 . 2 2 92 92 GLY HA2 H 1 4.281 0.002 . 1 . . . B 655 GLY HA2 . 18982 1 987 . 2 2 92 92 GLY HA3 H 1 3.757 0.002 . 1 . . . B 655 GLY HA3 . 18982 1 988 . 2 2 92 92 GLY CA C 13 46.253 0.002 . 1 . . . B 655 GLY CA . 18982 1 989 . 2 2 92 92 GLY N N 15 113.333 0.002 . 1 . . . B 655 GLY N . 18982 1 990 . 2 2 93 93 GLN H H 1 7.930 0.002 . 1 . . . B 656 GLN H . 18982 1 991 . 2 2 93 93 GLN HB2 H 1 1.881 0.002 . 1 . . . B 656 GLN HB2 . 18982 1 992 . 2 2 93 93 GLN HB3 H 1 1.591 0.002 . 1 . . . B 656 GLN HB3 . 18982 1 993 . 2 2 93 93 GLN HG2 H 1 2.124 0.002 . 1 . . . B 656 GLN HG2 . 18982 1 994 . 2 2 93 93 GLN HG3 H 1 1.869 0.002 . 1 . . . B 656 GLN HG3 . 18982 1 995 . 2 2 93 93 GLN HE21 H 1 7.430 0.002 . 1 . . . B 656 GLN HE21 . 18982 1 996 . 2 2 93 93 GLN HE22 H 1 7.221 0.002 . 1 . . . B 656 GLN HE22 . 18982 1 997 . 2 2 93 93 GLN CB C 13 32.397 0.002 . 1 . . . B 656 GLN CB . 18982 1 998 . 2 2 93 93 GLN CG C 13 34.186 0.002 . 1 . . . B 656 GLN CG . 18982 1 999 . 2 2 93 93 GLN N N 15 120.553 0.002 . 1 . . . B 656 GLN N . 18982 1 1000 . 2 2 93 93 GLN NE2 N 15 113.147 0.002 . 1 . . . B 656 GLN NE2 . 18982 1 1001 . 2 2 94 94 GLY H H 1 8.415 0.002 . 1 . . . B 657 GLY H . 18982 1 1002 . 2 2 94 94 GLY HA2 H 1 3.943 0.002 . 1 . . . B 657 GLY HA2 . 18982 1 1003 . 2 2 94 94 GLY HA3 H 1 1.575 0.002 . 1 . . . B 657 GLY HA3 . 18982 1 1004 . 2 2 94 94 GLY CA C 13 42.684 0.002 . 1 . . . B 657 GLY CA . 18982 1 1005 . 2 2 94 94 GLY N N 15 109.137 0.002 . 1 . . . B 657 GLY N . 18982 1 1006 . 2 2 95 95 TRP H H 1 8.285 0.002 . 1 . . . B 658 TRP H . 18982 1 1007 . 2 2 95 95 TRP HB2 H 1 3.358 0.002 . 1 . . . B 658 TRP HB2 . 18982 1 1008 . 2 2 95 95 TRP HB3 H 1 3.075 0.002 . 1 . . . B 658 TRP HB3 . 18982 1 1009 . 2 2 95 95 TRP HD1 H 1 7.625 0.002 . 1 . . . B 658 TRP HD1 . 18982 1 1010 . 2 2 95 95 TRP HE1 H 1 9.858 0.002 . 1 . . . B 658 TRP HE1 . 18982 1 1011 . 2 2 95 95 TRP HE3 H 1 7.192 0.002 . 1 . . . B 658 TRP HE3 . 18982 1 1012 . 2 2 95 95 TRP HZ2 H 1 7.676 0.002 . 1 . . . B 658 TRP HZ2 . 18982 1 1013 . 2 2 95 95 TRP HZ3 H 1 7.452 0.002 . 1 . . . B 658 TRP HZ3 . 18982 1 1014 . 2 2 95 95 TRP HH2 H 1 7.260 0.002 . 1 . . . B 658 TRP HH2 . 18982 1 1015 . 2 2 95 95 TRP CB C 13 29.825 0.002 . 1 . . . B 658 TRP CB . 18982 1 1016 . 2 2 95 95 TRP CD1 C 13 128.746 0.002 . 1 . . . B 658 TRP CD1 . 18982 1 1017 . 2 2 95 95 TRP CE3 C 13 122.730 0.002 . 1 . . . B 658 TRP CE3 . 18982 1 1018 . 2 2 95 95 TRP CZ2 C 13 114.254 0.002 . 1 . . . B 658 TRP CZ2 . 18982 1 1019 . 2 2 95 95 TRP CZ3 C 13 124.097 0.002 . 1 . . . B 658 TRP CZ3 . 18982 1 1020 . 2 2 95 95 TRP CH2 C 13 121.363 0.002 . 1 . . . B 658 TRP CH2 . 18982 1 1021 . 2 2 95 95 TRP N N 15 124.480 0.002 . 1 . . . B 658 TRP N . 18982 1 1022 . 2 2 95 95 TRP NE1 N 15 126.250 0.002 . 1 . . . B 658 TRP NE1 . 18982 1 1023 . 2 2 96 96 SER H H 1 10.075 0.002 . 1 . . . B 659 SER H . 18982 1 1024 . 2 2 96 96 SER HA H 1 5.732 0.002 . 1 . . . B 659 SER HA . 18982 1 1025 . 2 2 96 96 SER HB2 H 1 3.590 0.002 . 1 . . . B 659 SER HB2 . 18982 1 1026 . 2 2 96 96 SER HB3 H 1 3.347 0.002 . 1 . . . B 659 SER HB3 . 18982 1 1027 . 2 2 96 96 SER CA C 13 58.026 0.002 . 1 . . . B 659 SER CA . 18982 1 1028 . 2 2 96 96 SER CB C 13 67.349 0.002 . 1 . . . B 659 SER CB . 18982 1 1029 . 2 2 96 96 SER N N 15 120.987 0.002 . 1 . . . B 659 SER N . 18982 1 1030 . 2 2 97 97 SER H H 1 8.958 0.002 . 1 . . . B 660 SER H . 18982 1 1031 . 2 2 97 97 SER HA H 1 5.275 0.002 . 1 . . . B 660 SER HA . 18982 1 1032 . 2 2 97 97 SER HB2 H 1 4.042 0.002 . 1 . . . B 660 SER HB2 . 18982 1 1033 . 2 2 97 97 SER HB3 H 1 3.261 0.002 . 1 . . . B 660 SER HB3 . 18982 1 1034 . 2 2 97 97 SER CA C 13 55.775 0.002 . 1 . . . B 660 SER CA . 18982 1 1035 . 2 2 97 97 SER CB C 13 68.310 0.002 . 1 . . . B 660 SER CB . 18982 1 1036 . 2 2 97 97 SER N N 15 119.012 0.002 . 1 . . . B 660 SER N . 18982 1 1037 . 2 2 98 98 CYS H H 1 9.274 0.002 . 1 . . . B 661 CYS H . 18982 1 1038 . 2 2 98 98 CYS HA H 1 4.424 0.002 . 1 . . . B 661 CYS HA . 18982 1 1039 . 2 2 98 98 CYS HB2 H 1 3.148 0.002 . 1 . . . B 661 CYS HB2 . 18982 1 1040 . 2 2 98 98 CYS HB3 H 1 2.981 0.002 . 1 . . . B 661 CYS HB3 . 18982 1 1041 . 2 2 98 98 CYS CA C 13 63.169 0.002 . 1 . . . B 661 CYS CA . 18982 1 1042 . 2 2 98 98 CYS CB C 13 26.685 0.002 . 1 . . . B 661 CYS CB . 18982 1 1043 . 2 2 98 98 CYS N N 15 119.459 0.002 . 1 . . . B 661 CYS N . 18982 1 1044 . 2 2 99 99 CYS H H 1 7.868 0.002 . 1 . . . B 662 CYS H . 18982 1 1045 . 2 2 99 99 CYS HA H 1 4.752 0.002 . 1 . . . B 662 CYS HA . 18982 1 1046 . 2 2 99 99 CYS HB2 H 1 2.638 0.002 . 1 . . . B 662 CYS HB2 . 18982 1 1047 . 2 2 99 99 CYS HB3 H 1 2.363 0.002 . 1 . . . B 662 CYS HB3 . 18982 1 1048 . 2 2 99 99 CYS CB C 13 27.253 0.002 . 1 . . . B 662 CYS CB . 18982 1 1049 . 2 2 99 99 CYS N N 15 118.431 0.002 . 1 . . . B 662 CYS N . 18982 1 1050 . 2 2 100 100 PRO HA H 1 4.059 0.002 . 1 . . . B 663 PRO HA . 18982 1 1051 . 2 2 100 100 PRO HB2 H 1 2.167 0.002 . 1 . . . B 663 PRO HB2 . 18982 1 1052 . 2 2 100 100 PRO HB3 H 1 1.892 0.002 . 1 . . . B 663 PRO HB3 . 18982 1 1053 . 2 2 100 100 PRO HG2 H 1 2.019 0.002 . 1 . . . B 663 PRO HG2 . 18982 1 1054 . 2 2 100 100 PRO HG3 H 1 1.782 0.002 . 1 . . . B 663 PRO HG3 . 18982 1 1055 . 2 2 100 100 PRO HD2 H 1 3.872 0.002 . 1 . . . B 663 PRO HD2 . 18982 1 1056 . 2 2 100 100 PRO HD3 H 1 3.497 0.002 . 1 . . . B 663 PRO HD3 . 18982 1 1057 . 2 2 100 100 PRO CA C 13 65.098 0.002 . 1 . . . B 663 PRO CA . 18982 1 1058 . 2 2 100 100 PRO CB C 13 32.075 0.002 . 1 . . . B 663 PRO CB . 18982 1 1059 . 2 2 100 100 PRO CG C 13 27.011 0.002 . 1 . . . B 663 PRO CG . 18982 1 1060 . 2 2 100 100 PRO CD C 13 49.988 0.002 . 1 . . . B 663 PRO CD . 18982 1 1061 . 2 2 101 101 GLU H H 1 9.419 0.002 . 1 . . . B 664 GLU H . 18982 1 1062 . 2 2 101 101 GLU HA H 1 4.065 0.002 . 1 . . . B 664 GLU HA . 18982 1 1063 . 2 2 101 101 GLU HB2 H 1 1.965 0.002 . 1 . . . B 664 GLU HB2 . 18982 1 1064 . 2 2 101 101 GLU HB3 H 1 1.965 0.002 . 1 . . . B 664 GLU HB3 . 18982 1 1065 . 2 2 101 101 GLU HG2 H 1 2.291 0.002 . 1 . . . B 664 GLU HG2 . 18982 1 1066 . 2 2 101 101 GLU HG3 H 1 2.291 0.002 . 1 . . . B 664 GLU HG3 . 18982 1 1067 . 2 2 101 101 GLU CA C 13 59.955 0.002 . 1 . . . B 664 GLU CA . 18982 1 1068 . 2 2 101 101 GLU CB C 13 28.642 0.002 . 1 . . . B 664 GLU CB . 18982 1 1069 . 2 2 101 101 GLU CG C 13 36.469 0.002 . 1 . . . B 664 GLU CG . 18982 1 1070 . 2 2 101 101 GLU N N 15 118.318 0.002 . 1 . . . B 664 GLU N . 18982 1 1071 . 2 2 102 102 ARG H H 1 7.376 0.002 . 1 . . . B 665 ARG H . 18982 1 1072 . 2 2 102 102 ARG HA H 1 4.223 0.002 . 1 . . . B 665 ARG HA . 18982 1 1073 . 2 2 102 102 ARG HB2 H 1 1.819 0.002 . 1 . . . B 665 ARG HB2 . 18982 1 1074 . 2 2 102 102 ARG HB3 H 1 1.819 0.002 . 1 . . . B 665 ARG HB3 . 18982 1 1075 . 2 2 102 102 ARG HG2 H 1 1.769 0.002 . 1 . . . B 665 ARG HG2 . 18982 1 1076 . 2 2 102 102 ARG HG3 H 1 1.533 0.002 . 1 . . . B 665 ARG HG3 . 18982 1 1077 . 2 2 102 102 ARG HD2 H 1 3.307 0.002 . 1 . . . B 665 ARG HD2 . 18982 1 1078 . 2 2 102 102 ARG HD3 H 1 2.995 0.002 . 1 . . . B 665 ARG HD3 . 18982 1 1079 . 2 2 102 102 ARG HE H 1 7.332 0.002 . 1 . . . B 665 ARG HE . 18982 1 1080 . 2 2 102 102 ARG CA C 13 58.669 0.002 . 1 . . . B 665 ARG CA . 18982 1 1081 . 2 2 102 102 ARG CB C 13 30.599 0.002 . 1 . . . B 665 ARG CB . 18982 1 1082 . 2 2 102 102 ARG CG C 13 28.642 0.002 . 1 . . . B 665 ARG CG . 18982 1 1083 . 2 2 102 102 ARG CD C 13 42.992 0.002 . 1 . . . B 665 ARG CD . 18982 1 1084 . 2 2 102 102 ARG N N 15 119.974 0.002 . 1 . . . B 665 ARG N . 18982 1 1085 . 2 2 103 103 THR H H 1 8.171 0.002 . 1 . . . B 666 THR H . 18982 1 1086 . 2 2 103 103 THR HA H 1 4.161 0.002 . 1 . . . B 666 THR HA . 18982 1 1087 . 2 2 103 103 THR HB H 1 3.761 0.002 . 1 . . . B 666 THR HB . 18982 1 1088 . 2 2 103 103 THR HG21 H 1 1.401 0.002 . 1 . . . B 666 THR HG21 . 18982 1 1089 . 2 2 103 103 THR HG22 H 1 1.401 0.002 . 1 . . . B 666 THR HG22 . 18982 1 1090 . 2 2 103 103 THR HG23 H 1 1.401 0.002 . 1 . . . B 666 THR HG23 . 18982 1 1091 . 2 2 103 103 THR CA C 13 68.635 0.002 . 1 . . . B 666 THR CA . 18982 1 1092 . 2 2 103 103 THR CB C 13 68.635 0.002 . 1 . . . B 666 THR CB . 18982 1 1093 . 2 2 103 103 THR CG2 C 13 23.074 0.002 . 1 . . . B 666 THR CG2 . 18982 1 1094 . 2 2 103 103 THR N N 15 118.168 0.002 . 1 . . . B 666 THR N . 18982 1 1095 . 2 2 104 104 SER H H 1 8.680 0.002 . 1 . . . B 667 SER H . 18982 1 1096 . 2 2 104 104 SER HA H 1 4.189 0.002 . 1 . . . B 667 SER HA . 18982 1 1097 . 2 2 104 104 SER HB2 H 1 3.951 0.002 . 1 . . . B 667 SER HB2 . 18982 1 1098 . 2 2 104 104 SER HB3 H 1 3.888 0.002 . 1 . . . B 667 SER HB3 . 18982 1 1099 . 2 2 104 104 SER CA C 13 62.205 0.002 . 1 . . . B 667 SER CA . 18982 1 1100 . 2 2 104 104 SER CB C 13 62.848 0.002 . 1 . . . B 667 SER CB . 18982 1 1101 . 2 2 104 104 SER N N 15 116.104 0.002 . 1 . . . B 667 SER N . 18982 1 1102 . 2 2 105 105 GLN H H 1 7.743 0.002 . 1 . . . B 668 GLN H . 18982 1 1103 . 2 2 105 105 GLN HA H 1 3.995 0.002 . 1 . . . B 668 GLN HA . 18982 1 1104 . 2 2 105 105 GLN HB2 H 1 2.184 0.002 . 1 . . . B 668 GLN HB2 . 18982 1 1105 . 2 2 105 105 GLN HB3 H 1 2.045 0.002 . 1 . . . B 668 GLN HB3 . 18982 1 1106 . 2 2 105 105 GLN HG2 H 1 2.500 0.002 . 1 . . . B 668 GLN HG2 . 18982 1 1107 . 2 2 105 105 GLN HG3 H 1 2.284 0.002 . 1 . . . B 668 GLN HG3 . 18982 1 1108 . 2 2 105 105 GLN HE21 H 1 7.395 0.002 . 1 . . . B 668 GLN HE21 . 18982 1 1109 . 2 2 105 105 GLN HE22 H 1 6.670 0.002 . 1 . . . B 668 GLN HE22 . 18982 1 1110 . 2 2 105 105 GLN CA C 13 58.990 0.002 . 1 . . . B 668 GLN CA . 18982 1 1111 . 2 2 105 105 GLN CB C 13 28.861 0.002 . 1 . . . B 668 GLN CB . 18982 1 1112 . 2 2 105 105 GLN CG C 13 33.534 0.002 . 1 . . . B 668 GLN CG . 18982 1 1113 . 2 2 105 105 GLN N N 15 120.975 0.002 . 1 . . . B 668 GLN N . 18982 1 1114 . 2 2 105 105 GLN NE2 N 15 110.881 0.002 . 1 . . . B 668 GLN NE2 . 18982 1 1115 . 2 2 106 106 LEU H H 1 7.998 0.002 . 1 . . . B 669 LEU H . 18982 1 1116 . 2 2 106 106 LEU HA H 1 3.971 0.002 . 1 . . . B 669 LEU HA . 18982 1 1117 . 2 2 106 106 LEU HB2 H 1 1.126 0.002 . 1 . . . B 669 LEU HB2 . 18982 1 1118 . 2 2 106 106 LEU HB3 H 1 0.595 0.002 . 1 . . . B 669 LEU HB3 . 18982 1 1119 . 2 2 106 106 LEU HG H 1 1.352 0.002 . 1 . . . B 669 LEU HG . 18982 1 1120 . 2 2 106 106 LEU HD11 H 1 0.577 0.002 . 1 . . . B 669 LEU HD11 . 18982 1 1121 . 2 2 106 106 LEU HD12 H 1 0.577 0.002 . 1 . . . B 669 LEU HD12 . 18982 1 1122 . 2 2 106 106 LEU HD13 H 1 0.577 0.002 . 1 . . . B 669 LEU HD13 . 18982 1 1123 . 2 2 106 106 LEU HD21 H 1 0.551 0.002 . 1 . . . B 669 LEU HD21 . 18982 1 1124 . 2 2 106 106 LEU HD22 H 1 0.551 0.002 . 1 . . . B 669 LEU HD22 . 18982 1 1125 . 2 2 106 106 LEU HD23 H 1 0.551 0.002 . 1 . . . B 669 LEU HD23 . 18982 1 1126 . 2 2 106 106 LEU CA C 13 57.061 0.002 . 1 . . . B 669 LEU CA . 18982 1 1127 . 2 2 106 106 LEU CB C 13 42.666 0.002 . 1 . . . B 669 LEU CB . 18982 1 1128 . 2 2 106 106 LEU CG C 13 26.930 0.002 . 1 . . . B 669 LEU CG . 18982 1 1129 . 2 2 106 106 LEU CD1 C 13 25.380 0.002 . 1 . . . B 669 LEU CD1 . 18982 1 1130 . 2 2 106 106 LEU CD2 C 13 23.097 0.002 . 1 . . . B 669 LEU CD2 . 18982 1 1131 . 2 2 106 106 LEU N N 15 116.798 0.002 . 1 . . . B 669 LEU N . 18982 1 1132 . 2 2 107 107 PHE H H 1 7.836 0.002 . 1 . . . B 670 PHE H . 18982 1 1133 . 2 2 107 107 PHE HA H 1 5.396 0.002 . 1 . . . B 670 PHE HA . 18982 1 1134 . 2 2 107 107 PHE HB2 H 1 3.742 0.002 . 1 . . . B 670 PHE HB2 . 18982 1 1135 . 2 2 107 107 PHE HB3 H 1 2.621 0.002 . 1 . . . B 670 PHE HB3 . 18982 1 1136 . 2 2 107 107 PHE CA C 13 56.740 0.002 . 1 . . . B 670 PHE CA . 18982 1 1137 . 2 2 107 107 PHE CB C 13 41.361 0.002 . 1 . . . B 670 PHE CB . 18982 1 1138 . 2 2 107 107 PHE N N 15 114.140 0.002 . 1 . . . B 670 PHE N . 18982 1 1139 . 2 2 108 108 ASP H H 1 8.092 0.002 . 1 . . . B 671 ASP H . 18982 1 1140 . 2 2 108 108 ASP HA H 1 4.717 0.002 . 1 . . . B 671 ASP HA . 18982 1 1141 . 2 2 108 108 ASP HB2 H 1 3.194 0.002 . 1 . . . B 671 ASP HB2 . 18982 1 1142 . 2 2 108 108 ASP HB3 H 1 2.559 0.002 . 1 . . . B 671 ASP HB3 . 18982 1 1143 . 2 2 108 108 ASP CB C 13 40.383 0.002 . 1 . . . B 671 ASP CB . 18982 1 1144 . 2 2 108 108 ASP N N 15 118.092 0.002 . 1 . . . B 671 ASP N . 18982 1 1145 . 2 2 109 109 LEU H H 1 6.271 0.002 . 1 . . . B 672 LEU H . 18982 1 1146 . 2 2 109 109 LEU HA H 1 4.704 0.002 . 1 . . . B 672 LEU HA . 18982 1 1147 . 2 2 109 109 LEU HB2 H 1 1.468 0.002 . 1 . . . B 672 LEU HB2 . 18982 1 1148 . 2 2 109 109 LEU HB3 H 1 1.306 0.002 . 1 . . . B 672 LEU HB3 . 18982 1 1149 . 2 2 109 109 LEU HG H 1 1.447 0.002 . 1 . . . B 672 LEU HG . 18982 1 1150 . 2 2 109 109 LEU HD11 H 1 0.615 0.002 . 1 . . . B 672 LEU HD11 . 18982 1 1151 . 2 2 109 109 LEU HD12 H 1 0.615 0.002 . 1 . . . B 672 LEU HD12 . 18982 1 1152 . 2 2 109 109 LEU HD13 H 1 0.615 0.002 . 1 . . . B 672 LEU HD13 . 18982 1 1153 . 2 2 109 109 LEU HD21 H 1 0.189 0.002 . 1 . . . B 672 LEU HD21 . 18982 1 1154 . 2 2 109 109 LEU HD22 H 1 0.189 0.002 . 1 . . . B 672 LEU HD22 . 18982 1 1155 . 2 2 109 109 LEU HD23 H 1 0.189 0.002 . 1 . . . B 672 LEU HD23 . 18982 1 1156 . 2 2 109 109 LEU CB C 13 45.578 0.002 . 1 . . . B 672 LEU CB . 18982 1 1157 . 2 2 109 109 LEU CG C 13 26.033 0.002 . 1 . . . B 672 LEU CG . 18982 1 1158 . 2 2 109 109 LEU CD1 C 13 23.424 0.002 . 1 . . . B 672 LEU CD1 . 18982 1 1159 . 2 2 109 109 LEU CD2 C 13 23.750 0.002 . 1 . . . B 672 LEU CD2 . 18982 1 1160 . 2 2 109 109 LEU N N 15 117.983 0.002 . 1 . . . B 672 LEU N . 18982 1 1161 . 2 2 110 110 PRO HA H 1 4.409 0.002 . 1 . . . B 673 PRO HA . 18982 1 1162 . 2 2 110 110 PRO HB2 H 1 2.303 0.002 . 1 . . . B 673 PRO HB2 . 18982 1 1163 . 2 2 110 110 PRO HB3 H 1 2.029 0.002 . 1 . . . B 673 PRO HB3 . 18982 1 1164 . 2 2 110 110 PRO HG2 H 1 2.301 0.002 . 1 . . . B 673 PRO HG2 . 18982 1 1165 . 2 2 110 110 PRO HG3 H 1 2.052 0.002 . 1 . . . B 673 PRO HG3 . 18982 1 1166 . 2 2 110 110 PRO HD2 H 1 4.197 0.002 . 1 . . . B 673 PRO HD2 . 18982 1 1167 . 2 2 110 110 PRO HD3 H 1 3.701 0.002 . 1 . . . B 673 PRO HD3 . 18982 1 1168 . 2 2 110 110 PRO CA C 13 63.169 0.002 . 1 . . . B 673 PRO CA . 18982 1 1169 . 2 2 110 110 PRO CB C 13 31.251 0.002 . 1 . . . B 673 PRO CB . 18982 1 1170 . 2 2 110 110 PRO CG C 13 27.896 0.002 . 1 . . . B 673 PRO CG . 18982 1 1171 . 2 2 110 110 PRO CD C 13 50.631 0.002 . 1 . . . B 673 PRO CD . 18982 1 1172 . 2 2 111 111 CYS H H 1 8.094 0.002 . 1 . . . B 674 CYS H . 18982 1 1173 . 2 2 111 111 CYS HA H 1 5.059 0.002 . 1 . . . B 674 CYS HA . 18982 1 1174 . 2 2 111 111 CYS HB2 H 1 2.826 0.002 . 1 . . . B 674 CYS HB2 . 18982 1 1175 . 2 2 111 111 CYS HB3 H 1 2.491 0.002 . 1 . . . B 674 CYS HB3 . 18982 1 1176 . 2 2 111 111 CYS CA C 13 58.350 0.002 . 1 . . . B 674 CYS CA . 18982 1 1177 . 2 2 111 111 CYS CB C 13 30.272 0.002 . 1 . . . B 674 CYS CB . 18982 1 1178 . 2 2 111 111 CYS N N 15 122.160 0.002 . 1 . . . B 674 CYS N . 18982 1 1179 . 2 2 112 112 SER H H 1 8.817 0.002 . 1 . . . B 675 SER H . 18982 1 1180 . 2 2 112 112 SER HA H 1 4.752 0.002 . 1 . . . B 675 SER HA . 18982 1 1181 . 2 2 112 112 SER HB2 H 1 3.816 0.002 . 1 . . . B 675 SER HB2 . 18982 1 1182 . 2 2 112 112 SER HB3 H 1 3.816 0.002 . 1 . . . B 675 SER HB3 . 18982 1 1183 . 2 2 112 112 SER CB C 13 64.455 0.002 . 1 . . . B 675 SER CB . 18982 1 1184 . 2 2 112 112 SER N N 15 121.698 0.002 . 1 . . . B 675 SER N . 18982 1 1185 . 2 2 113 113 LYS H H 1 8.779 0.002 . 1 . . . B 676 LYS H . 18982 1 1186 . 2 2 113 113 LYS HB2 H 1 1.917 0.002 . 1 . . . B 676 LYS HB2 . 18982 1 1187 . 2 2 113 113 LYS HB3 H 1 1.686 0.002 . 1 . . . B 676 LYS HB3 . 18982 1 1188 . 2 2 113 113 LYS HG2 H 1 1.451 0.002 . 1 . . . B 676 LYS HG2 . 18982 1 1189 . 2 2 113 113 LYS HG3 H 1 1.287 0.002 . 1 . . . B 676 LYS HG3 . 18982 1 1190 . 2 2 113 113 LYS HD2 H 1 1.815 0.002 . 1 . . . B 676 LYS HD2 . 18982 1 1191 . 2 2 113 113 LYS HD3 H 1 1.620 0.002 . 1 . . . B 676 LYS HD3 . 18982 1 1192 . 2 2 113 113 LYS HE2 H 1 3.104 0.002 . 1 . . . B 676 LYS HE2 . 18982 1 1193 . 2 2 113 113 LYS HE3 H 1 3.104 0.002 . 1 . . . B 676 LYS HE3 . 18982 1 1194 . 2 2 113 113 LYS CB C 13 32.882 0.002 . 1 . . . B 676 LYS CB . 18982 1 1195 . 2 2 113 113 LYS CG C 13 24.402 0.002 . 1 . . . B 676 LYS CG . 18982 1 1196 . 2 2 113 113 LYS CD C 13 29.294 0.002 . 1 . . . B 676 LYS CD . 18982 1 1197 . 2 2 113 113 LYS CE C 13 42.340 0.002 . 1 . . . B 676 LYS CE . 18982 1 1198 . 2 2 113 113 LYS N N 15 124.181 0.002 . 1 . . . B 676 LYS N . 18982 1 1199 . 2 2 114 114 LEU H H 1 8.217 0.002 . 1 . . . B 677 LEU H . 18982 1 1200 . 2 2 114 114 LEU HA H 1 4.168 0.002 . 1 . . . B 677 LEU HA . 18982 1 1201 . 2 2 114 114 LEU HB2 H 1 1.557 0.002 . 1 . . . B 677 LEU HB2 . 18982 1 1202 . 2 2 114 114 LEU HB3 H 1 0.617 0.002 . 1 . . . B 677 LEU HB3 . 18982 1 1203 . 2 2 114 114 LEU HG H 1 1.299 0.002 . 1 . . . B 677 LEU HG . 18982 1 1204 . 2 2 114 114 LEU HD11 H 1 0.624 0.002 . 1 . . . B 677 LEU HD11 . 18982 1 1205 . 2 2 114 114 LEU HD12 H 1 0.624 0.002 . 1 . . . B 677 LEU HD12 . 18982 1 1206 . 2 2 114 114 LEU HD13 H 1 0.624 0.002 . 1 . . . B 677 LEU HD13 . 18982 1 1207 . 2 2 114 114 LEU HD21 H 1 0.823 0.002 . 1 . . . B 677 LEU HD21 . 18982 1 1208 . 2 2 114 114 LEU HD22 H 1 0.823 0.002 . 1 . . . B 677 LEU HD22 . 18982 1 1209 . 2 2 114 114 LEU HD23 H 1 0.823 0.002 . 1 . . . B 677 LEU HD23 . 18982 1 1210 . 2 2 114 114 LEU CA C 13 55.132 0.002 . 1 . . . B 677 LEU CA . 18982 1 1211 . 2 2 114 114 LEU CB C 13 43.644 0.002 . 1 . . . B 677 LEU CB . 18982 1 1212 . 2 2 114 114 LEU CG C 13 26.685 0.002 . 1 . . . B 677 LEU CG . 18982 1 1213 . 2 2 114 114 LEU CD1 C 13 26.685 0.002 . 1 . . . B 677 LEU CD1 . 18982 1 1214 . 2 2 114 114 LEU CD2 C 13 24.360 0.002 . 1 . . . B 677 LEU CD2 . 18982 1 1215 . 2 2 114 114 LEU N N 15 132.111 0.002 . 1 . . . B 677 LEU N . 18982 1 1216 . 2 2 115 115 SER H H 1 8.948 0.002 . 1 . . . B 678 SER H . 18982 1 1217 . 2 2 115 115 SER HA H 1 4.710 0.002 . 1 . . . B 678 SER HA . 18982 1 1218 . 2 2 115 115 SER HB2 H 1 3.714 0.002 . 1 . . . B 678 SER HB2 . 18982 1 1219 . 2 2 115 115 SER HB3 H 1 3.543 0.002 . 1 . . . B 678 SER HB3 . 18982 1 1220 . 2 2 115 115 SER CB C 13 65.741 0.002 . 1 . . . B 678 SER CB . 18982 1 1221 . 2 2 115 115 SER N N 15 122.250 0.002 . 1 . . . B 678 SER N . 18982 1 1222 . 2 2 116 116 VAL H H 1 8.411 0.002 . 1 . . . B 679 VAL H . 18982 1 1223 . 2 2 116 116 VAL HA H 1 3.181 0.002 . 1 . . . B 679 VAL HA . 18982 1 1224 . 2 2 116 116 VAL HB H 1 1.812 0.002 . 1 . . . B 679 VAL HB . 18982 1 1225 . 2 2 116 116 VAL HG11 H 1 0.851 0.002 . 1 . . . B 679 VAL HG11 . 18982 1 1226 . 2 2 116 116 VAL HG12 H 1 0.851 0.002 . 1 . . . B 679 VAL HG12 . 18982 1 1227 . 2 2 116 116 VAL HG13 H 1 0.851 0.002 . 1 . . . B 679 VAL HG13 . 18982 1 1228 . 2 2 116 116 VAL HG21 H 1 0.835 0.002 . 1 . . . B 679 VAL HG21 . 18982 1 1229 . 2 2 116 116 VAL HG22 H 1 0.835 0.002 . 1 . . . B 679 VAL HG22 . 18982 1 1230 . 2 2 116 116 VAL HG23 H 1 0.835 0.002 . 1 . . . B 679 VAL HG23 . 18982 1 1231 . 2 2 116 116 VAL CA C 13 65.420 0.002 . 1 . . . B 679 VAL CA . 18982 1 1232 . 2 2 116 116 VAL CB C 13 31.432 0.002 . 1 . . . B 679 VAL CB . 18982 1 1233 . 2 2 116 116 VAL CG1 C 13 22.445 0.002 . 1 . . . B 679 VAL CG1 . 18982 1 1234 . 2 2 116 116 VAL CG2 C 13 21.467 0.002 . 1 . . . B 679 VAL CG2 . 18982 1 1235 . 2 2 116 116 VAL N N 15 123.226 0.002 . 1 . . . B 679 VAL N . 18982 1 1236 . 2 2 117 117 GLY H H 1 9.138 0.002 . 1 . . . B 680 GLY H . 18982 1 1237 . 2 2 117 117 GLY HA2 H 1 4.443 0.002 . 1 . . . B 680 GLY HA2 . 18982 1 1238 . 2 2 117 117 GLY HA3 H 1 3.417 0.002 . 1 . . . B 680 GLY HA3 . 18982 1 1239 . 2 2 117 117 GLY CA C 13 44.296 0.002 . 1 . . . B 680 GLY CA . 18982 1 1240 . 2 2 117 117 GLY N N 15 117.795 0.002 . 1 . . . B 680 GLY N . 18982 1 1241 . 2 2 118 118 ASP H H 1 7.991 0.002 . 1 . . . B 681 ASP H . 18982 1 1242 . 2 2 118 118 ASP HA H 1 4.547 0.002 . 1 . . . B 681 ASP HA . 18982 1 1243 . 2 2 118 118 ASP HB2 H 1 2.830 0.002 . 1 . . . B 681 ASP HB2 . 18982 1 1244 . 2 2 118 118 ASP HB3 H 1 2.436 0.002 . 1 . . . B 681 ASP HB3 . 18982 1 1245 . 2 2 118 118 ASP CA C 13 55.454 0.002 . 1 . . . B 681 ASP CA . 18982 1 1246 . 2 2 118 118 ASP CB C 13 41.035 0.002 . 1 . . . B 681 ASP CB . 18982 1 1247 . 2 2 118 118 ASP N N 15 122.658 0.002 . 1 . . . B 681 ASP N . 18982 1 1248 . 2 2 119 119 VAL H H 1 8.416 0.002 . 1 . . . B 682 VAL H . 18982 1 1249 . 2 2 119 119 VAL HA H 1 4.467 0.002 . 1 . . . B 682 VAL HA . 18982 1 1250 . 2 2 119 119 VAL HB H 1 2.189 0.002 . 1 . . . B 682 VAL HB . 18982 1 1251 . 2 2 119 119 VAL HG11 H 1 1.037 0.002 . 1 . . . B 682 VAL HG11 . 18982 1 1252 . 2 2 119 119 VAL HG12 H 1 1.037 0.002 . 1 . . . B 682 VAL HG12 . 18982 1 1253 . 2 2 119 119 VAL HG13 H 1 1.037 0.002 . 1 . . . B 682 VAL HG13 . 18982 1 1254 . 2 2 119 119 VAL HG21 H 1 0.847 0.002 . 1 . . . B 682 VAL HG21 . 18982 1 1255 . 2 2 119 119 VAL HG22 H 1 0.847 0.002 . 1 . . . B 682 VAL HG22 . 18982 1 1256 . 2 2 119 119 VAL HG23 H 1 0.847 0.002 . 1 . . . B 682 VAL HG23 . 18982 1 1257 . 2 2 119 119 VAL CA C 13 62.205 0.002 . 1 . . . B 682 VAL CA . 18982 1 1258 . 2 2 119 119 VAL CB C 13 31.903 0.002 . 1 . . . B 682 VAL CB . 18982 1 1259 . 2 2 119 119 VAL CG1 C 13 20.814 0.002 . 1 . . . B 682 VAL CG1 . 18982 1 1260 . 2 2 119 119 VAL CG2 C 13 22.445 0.002 . 1 . . . B 682 VAL CG2 . 18982 1 1261 . 2 2 119 119 VAL N N 15 122.389 0.002 . 1 . . . B 682 VAL N . 18982 1 1262 . 2 2 120 120 CYS H H 1 9.454 0.002 . 1 . . . B 683 CYS H . 18982 1 1263 . 2 2 120 120 CYS HA H 1 5.295 0.002 . 1 . . . B 683 CYS HA . 18982 1 1264 . 2 2 120 120 CYS HB2 H 1 2.919 0.002 . 1 . . . B 683 CYS HB2 . 18982 1 1265 . 2 2 120 120 CYS HB3 H 1 2.811 0.002 . 1 . . . B 683 CYS HB3 . 18982 1 1266 . 2 2 120 120 CYS CA C 13 58.026 0.002 . 1 . . . B 683 CYS CA . 18982 1 1267 . 2 2 120 120 CYS CB C 13 29.825 0.002 . 1 . . . B 683 CYS CB . 18982 1 1268 . 2 2 120 120 CYS N N 15 125.083 0.002 . 1 . . . B 683 CYS N . 18982 1 1269 . 2 2 121 121 ILE H H 1 8.564 0.002 . 1 . . . B 684 ILE H . 18982 1 1270 . 2 2 121 121 ILE HA H 1 3.922 0.002 . 1 . . . B 684 ILE HA . 18982 1 1271 . 2 2 121 121 ILE HB H 1 1.414 0.002 . 1 . . . B 684 ILE HB . 18982 1 1272 . 2 2 121 121 ILE HG12 H 1 1.125 0.002 . 1 . . . B 684 ILE HG12 . 18982 1 1273 . 2 2 121 121 ILE HG13 H 1 0.147 0.002 . 1 . . . B 684 ILE HG13 . 18982 1 1274 . 2 2 121 121 ILE HG21 H 1 0.507 0.002 . 1 . . . B 684 ILE HG21 . 18982 1 1275 . 2 2 121 121 ILE HG22 H 1 0.507 0.002 . 1 . . . B 684 ILE HG22 . 18982 1 1276 . 2 2 121 121 ILE HG23 H 1 0.507 0.002 . 1 . . . B 684 ILE HG23 . 18982 1 1277 . 2 2 121 121 ILE HD11 H 1 0.133 0.002 . 1 . . . B 684 ILE HD11 . 18982 1 1278 . 2 2 121 121 ILE HD12 H 1 0.133 0.002 . 1 . . . B 684 ILE HD12 . 18982 1 1279 . 2 2 121 121 ILE HD13 H 1 0.133 0.002 . 1 . . . B 684 ILE HD13 . 18982 1 1280 . 2 2 121 121 ILE CA C 13 63.491 0.002 . 1 . . . B 684 ILE CA . 18982 1 1281 . 2 2 121 121 ILE CB C 13 37.774 0.002 . 1 . . . B 684 ILE CB . 18982 1 1282 . 2 2 121 121 ILE CG1 C 13 26.685 0.002 . 1 . . . B 684 ILE CG1 . 18982 1 1283 . 2 2 121 121 ILE CG2 C 13 17.227 0.002 . 1 . . . B 684 ILE CG2 . 18982 1 1284 . 2 2 121 121 ILE CD1 C 13 14.292 0.002 . 1 . . . B 684 ILE CD1 . 18982 1 1285 . 2 2 121 121 ILE N N 15 121.769 0.002 . 1 . . . B 684 ILE N . 18982 1 1286 . 2 2 122 122 SER H H 1 8.004 0.002 . 1 . . . B 685 SER H . 18982 1 1287 . 2 2 122 122 SER HA H 1 4.750 0.002 . 1 . . . B 685 SER HA . 18982 1 1288 . 2 2 122 122 SER HB2 H 1 3.895 0.002 . 1 . . . B 685 SER HB2 . 18982 1 1289 . 2 2 122 122 SER HB3 H 1 3.446 0.002 . 1 . . . B 685 SER HB3 . 18982 1 1290 . 2 2 122 122 SER CB C 13 66.063 0.002 . 1 . . . B 685 SER CB . 18982 1 1291 . 2 2 122 122 SER N N 15 121.181 0.002 . 1 . . . B 685 SER N . 18982 1 1292 . 2 2 123 123 LEU H H 1 8.612 0.002 . 1 . . . B 686 LEU H . 18982 1 1293 . 2 2 123 123 LEU HA H 1 5.326 0.002 . 1 . . . B 686 LEU HA . 18982 1 1294 . 2 2 123 123 LEU HB2 H 1 1.026 0.002 . 1 . . . B 686 LEU HB2 . 18982 1 1295 . 2 2 123 123 LEU HB3 H 1 1.026 0.002 . 1 . . . B 686 LEU HB3 . 18982 1 1296 . 2 2 123 123 LEU HG H 1 1.302 0.002 . 1 . . . B 686 LEU HG . 18982 1 1297 . 2 2 123 123 LEU HD11 H 1 0.871 0.002 . 1 . . . B 686 LEU HD11 . 18982 1 1298 . 2 2 123 123 LEU HD12 H 1 0.871 0.002 . 1 . . . B 686 LEU HD12 . 18982 1 1299 . 2 2 123 123 LEU HD13 H 1 0.871 0.002 . 1 . . . B 686 LEU HD13 . 18982 1 1300 . 2 2 123 123 LEU HD21 H 1 0.654 0.002 . 1 . . . B 686 LEU HD21 . 18982 1 1301 . 2 2 123 123 LEU HD22 H 1 0.654 0.002 . 1 . . . B 686 LEU HD22 . 18982 1 1302 . 2 2 123 123 LEU HD23 H 1 0.654 0.002 . 1 . . . B 686 LEU HD23 . 18982 1 1303 . 2 2 123 123 LEU CA C 13 53.203 0.002 . 1 . . . B 686 LEU CA . 18982 1 1304 . 2 2 123 123 LEU CB C 13 46.253 0.002 . 1 . . . B 686 LEU CB . 18982 1 1305 . 2 2 123 123 LEU CG C 13 27.011 0.002 . 1 . . . B 686 LEU CG . 18982 1 1306 . 2 2 123 123 LEU CD1 C 13 24.035 0.002 . 1 . . . B 686 LEU CD1 . 18982 1 1307 . 2 2 123 123 LEU CD2 C 13 27.011 0.002 . 1 . . . B 686 LEU CD2 . 18982 1 1308 . 2 2 123 123 LEU N N 15 119.330 0.002 . 1 . . . B 686 LEU N . 18982 1 1309 . 2 2 124 124 THR H H 1 8.658 0.002 . 1 . . . B 687 THR H . 18982 1 1310 . 2 2 124 124 THR HA H 1 4.392 0.002 . 1 . . . B 687 THR HA . 18982 1 1311 . 2 2 124 124 THR HB H 1 3.974 0.002 . 1 . . . B 687 THR HB . 18982 1 1312 . 2 2 124 124 THR HG21 H 1 1.040 0.002 . 1 . . . B 687 THR HG21 . 18982 1 1313 . 2 2 124 124 THR HG22 H 1 1.040 0.002 . 1 . . . B 687 THR HG22 . 18982 1 1314 . 2 2 124 124 THR HG23 H 1 1.040 0.002 . 1 . . . B 687 THR HG23 . 18982 1 1315 . 2 2 124 124 THR CA C 13 59.955 0.002 . 1 . . . B 687 THR CA . 18982 1 1316 . 2 2 124 124 THR CB C 13 70.885 0.002 . 1 . . . B 687 THR CB . 18982 1 1317 . 2 2 124 124 THR CG2 C 13 20.180 0.002 . 1 . . . B 687 THR CG2 . 18982 1 1318 . 2 2 124 124 THR N N 15 115.399 0.002 . 1 . . . B 687 THR N . 18982 1 1319 . 2 2 125 125 LEU H H 1 7.887 0.002 . 1 . . . B 688 LEU H . 18982 1 1320 . 2 2 125 125 LEU HA H 1 4.876 0.002 . 1 . . . B 688 LEU HA . 18982 1 1321 . 2 2 125 125 LEU HB2 H 1 1.699 0.002 . 1 . . . B 688 LEU HB2 . 18982 1 1322 . 2 2 125 125 LEU HB3 H 1 1.699 0.002 . 1 . . . B 688 LEU HB3 . 18982 1 1323 . 2 2 125 125 LEU HG H 1 1.812 0.002 . 1 . . . B 688 LEU HG . 18982 1 1324 . 2 2 125 125 LEU HD11 H 1 0.965 0.002 . 1 . . . B 688 LEU HD11 . 18982 1 1325 . 2 2 125 125 LEU HD12 H 1 0.965 0.002 . 1 . . . B 688 LEU HD12 . 18982 1 1326 . 2 2 125 125 LEU HD13 H 1 0.965 0.002 . 1 . . . B 688 LEU HD13 . 18982 1 1327 . 2 2 125 125 LEU HD21 H 1 0.953 0.002 . 1 . . . B 688 LEU HD21 . 18982 1 1328 . 2 2 125 125 LEU HD22 H 1 0.953 0.002 . 1 . . . B 688 LEU HD22 . 18982 1 1329 . 2 2 125 125 LEU HD23 H 1 0.953 0.002 . 1 . . . B 688 LEU HD23 . 18982 1 1330 . 2 2 125 125 LEU CA C 13 54.811 0.002 . 1 . . . B 688 LEU CA . 18982 1 1331 . 2 2 125 125 LEU CB C 13 42.666 0.002 . 1 . . . B 688 LEU CB . 18982 1 1332 . 2 2 125 125 LEU CG C 13 27.337 0.002 . 1 . . . B 688 LEU CG . 18982 1 1333 . 2 2 125 125 LEU CD1 C 13 25.380 0.002 . 1 . . . B 688 LEU CD1 . 18982 1 1334 . 2 2 125 125 LEU CD2 C 13 23.097 0.002 . 1 . . . B 688 LEU CD2 . 18982 1 1335 . 2 2 125 125 LEU N N 15 122.559 0.002 . 1 . . . B 688 LEU N . 18982 1 1336 . 2 2 126 126 LYS H H 1 7.799 0.002 . 1 . . . B 689 LYS H . 18982 1 1337 . 2 2 126 126 LYS HA H 1 3.894 0.002 . 1 . . . B 689 LYS HA . 18982 1 1338 . 2 2 126 126 LYS HB2 H 1 1.556 0.002 . 1 . . . B 689 LYS HB2 . 18982 1 1339 . 2 2 126 126 LYS HB3 H 1 1.441 0.002 . 1 . . . B 689 LYS HB3 . 18982 1 1340 . 2 2 126 126 LYS HG2 H 1 1.223 0.002 . 1 . . . B 689 LYS HG2 . 18982 1 1341 . 2 2 126 126 LYS HG3 H 1 1.223 0.002 . 1 . . . B 689 LYS HG3 . 18982 1 1342 . 2 2 126 126 LYS HD2 H 1 1.620 0.002 . 1 . . . B 689 LYS HD2 . 18982 1 1343 . 2 2 126 126 LYS HD3 H 1 1.564 0.002 . 1 . . . B 689 LYS HD3 . 18982 1 1344 . 2 2 126 126 LYS HE2 H 1 2.990 0.002 . 1 . . . B 689 LYS HE2 . 18982 1 1345 . 2 2 126 126 LYS HE3 H 1 2.877 0.002 . 1 . . . B 689 LYS HE3 . 18982 1 1346 . 2 2 126 126 LYS CA C 13 58.669 0.002 . 1 . . . B 689 LYS CA . 18982 1 1347 . 2 2 126 126 LYS CB C 13 34.186 0.002 . 1 . . . B 689 LYS CB . 18982 1 1348 . 2 2 126 126 LYS CG C 13 25.967 0.002 . 1 . . . B 689 LYS CG . 18982 1 1349 . 2 2 126 126 LYS CD C 13 29.825 0.002 . 1 . . . B 689 LYS CD . 18982 1 1350 . 2 2 126 126 LYS N N 15 127.009 0.002 . 1 . . . B 689 LYS N . 18982 1 1351 . 1 1 1 1 VAL HA H 1 3.815 0.002 . 1 . . . A 34 VAL HA . 18982 1 1352 . 1 1 1 1 VAL HB H 1 1.905 0.002 . 1 . . . A 34 VAL HB . 18982 1 1353 . 1 1 1 1 VAL CG1 C 13 0.857 0.002 . 1 . . . A 34 VAL CG1 . 18982 1 1354 . 1 1 1 1 VAL CG2 C 13 0.826 0.002 . 1 . . . A 34 VAL CG2 . 18982 1 1355 . 1 1 2 2 PHE H H 1 8.787 0.002 . 1 . . . A 35 PHE HN . 18982 1 1356 . 1 1 2 2 PHE HA H 1 5.149 0.002 . 1 . . . A 35 PHE HA . 18982 1 1357 . 1 1 2 2 PHE HB2 H 1 2.697 0.002 . 1 . . . A 35 PHE HB2 . 18982 1 1358 . 1 1 2 2 PHE HB3 H 1 2.600 0.002 . 1 . . . A 35 PHE HB3 . 18982 1 1359 . 1 1 2 2 PHE CD1 C 13 7.342 0.002 . 1 . . . A 35 PHE CD . 18982 1 1360 . 1 1 2 2 PHE CD2 C 13 7.342 0.002 . 1 . . . A 35 PHE CD . 18982 1 1361 . 1 1 2 2 PHE CE1 C 13 7.472 0.002 . 1 . . . A 35 PHE CE . 18982 1 1362 . 1 1 2 2 PHE CE2 C 13 7.472 0.002 . 1 . . . A 35 PHE CE . 18982 1 1363 . 1 1 3 3 PRO HA H 1 4.880 0.002 . 1 . . . A 36 PRO HA . 18982 1 1364 . 1 1 4 4 TRP H H 1 8.070 0.002 . 1 . . . A 37 TRP HN . 18982 1 1365 . 1 1 4 4 TRP HA H 1 4.634 0.002 . 1 . . . A 37 TRP HA . 18982 1 1366 . 1 1 4 4 TRP HB2 H 1 3.060 0.002 . 1 . . . A 37 TRP HB2 . 18982 1 1367 . 1 1 4 4 TRP HB3 H 1 2.970 0.002 . 1 . . . A 37 TRP HB3 . 18982 1 1368 . 1 1 4 4 TRP HD1 H 1 7.716 0.002 . 1 . . . A 37 TRP HD1 . 18982 1 1369 . 1 1 4 4 TRP HE1 H 1 11.162 0.002 . 1 . . . A 37 TRP HE1 . 18982 1 1370 . 1 1 4 4 TRP HE3 H 1 7.465 0.002 . 1 . . . A 37 TRP HE3 . 18982 1 1371 . 1 1 4 4 TRP HZ2 H 1 7.519 0.002 . 1 . . . A 37 TRP HZ2 . 18982 1 1372 . 1 1 4 4 TRP HZ3 H 1 7.034 0.002 . 1 . . . A 37 TRP HZ3 . 18982 1 1373 . 1 1 4 4 TRP HH2 H 1 6.866 0.002 . 1 . . . A 37 TRP HH2 . 18982 1 1374 . 1 1 5 5 HIS H H 1 7.096 0.002 . 1 . . . A 38 HIS HN . 18982 1 1375 . 1 1 5 5 HIS HA H 1 4.272 0.002 . 1 . . . A 38 HIS HA . 18982 1 1376 . 1 1 5 5 HIS HB2 H 1 3.283 0.002 . 1 . . . A 38 HIS HB2 . 18982 1 1377 . 1 1 5 5 HIS HB3 H 1 3.127 0.002 . 1 . . . A 38 HIS HB3 . 18982 1 1378 . 1 1 6 6 SER H H 1 7.098 0.002 . 1 . . . A 39 SER HN . 18982 1 1379 . 1 1 6 6 SER HA H 1 4.568 0.002 . 1 . . . A 39 SER HA . 18982 1 1380 . 1 1 6 6 SER HG H 1 6.000 0.002 . 1 . . . A 39 SER HG . 18982 1 1381 . 1 1 6 6 SER CB C 13 3.849 0.002 . 1 . . . A 39 SER CB . 18982 1 1382 . 1 1 7 7 LEU H H 1 7.969 0.002 . 1 . . . A 40 LEU HN . 18982 1 1383 . 1 1 7 7 LEU HA H 1 4.329 0.002 . 1 . . . A 40 LEU HA . 18982 1 1384 . 1 1 7 7 LEU HB2 H 1 2.330 0.002 . 1 . . . A 40 LEU HB2 . 18982 1 1385 . 1 1 7 7 LEU HB3 H 1 2.210 0.002 . 1 . . . A 40 LEU HB3 . 18982 1 1386 . 1 1 7 7 LEU HG H 1 1.469 0.002 . 1 . . . A 40 LEU HG . 18982 1 1387 . 1 1 7 7 LEU CD1 C 13 0.912 0.002 . 1 . . . A 40 LEU CD1 . 18982 1 1388 . 1 1 7 7 LEU CD2 C 13 0.471 0.002 . 1 . . . A 40 LEU CD2 . 18982 1 1389 . 1 1 8 8 VAL H H 1 6.920 0.002 . 1 . . . A 41 VAL HN . 18982 1 1390 . 1 1 8 8 VAL HA H 1 5.003 0.002 . 1 . . . A 41 VAL HA . 18982 1 1391 . 1 1 8 8 VAL HB H 1 2.183 0.002 . 1 . . . A 41 VAL HB . 18982 1 1392 . 1 1 8 8 VAL CG1 C 13 0.722 0.002 . 1 . . . A 41 VAL CG1 . 18982 1 1393 . 1 1 8 8 VAL CG2 C 13 0.628 0.002 . 1 . . . A 41 VAL CG2 . 18982 1 1394 . 1 1 9 9 PRO HA H 1 4.630 0.002 . 1 . . . A 42 PRO HA . 18982 1 1395 . 1 1 10 10 PHE H H 1 8.626 0.002 . 1 . . . A 43 PHE HN . 18982 1 1396 . 1 1 10 10 PHE HA H 1 5.064 0.002 . 1 . . . A 43 PHE HA . 18982 1 1397 . 1 1 10 10 PHE HB2 H 1 3.050 0.002 . 1 . . . A 43 PHE HB2 . 18982 1 1398 . 1 1 10 10 PHE HB3 H 1 3.000 0.002 . 1 . . . A 43 PHE HB3 . 18982 1 1399 . 1 1 10 10 PHE CD1 C 13 7.160 0.002 . 1 . . . A 43 PHE CD . 18982 1 1400 . 1 1 10 10 PHE CD2 C 13 7.160 0.002 . 1 . . . A 43 PHE CD . 18982 1 1401 . 1 1 11 11 LEU H H 1 7.839 0.002 . 1 . . . A 44 LEU HN . 18982 1 1402 . 1 1 11 11 LEU HA H 1 4.503 0.002 . 1 . . . A 44 LEU HA . 18982 1 1403 . 1 1 11 11 LEU HB2 H 1 1.571 0.002 . 1 . . . A 44 LEU HB2 . 18982 1 1404 . 1 1 11 11 LEU HB3 H 1 1.167 0.002 . 1 . . . A 44 LEU HB3 . 18982 1 1405 . 1 1 11 11 LEU HG H 1 1.318 0.002 . 1 . . . A 44 LEU HG . 18982 1 1406 . 1 1 11 11 LEU CD1 C 13 0.683 0.002 . 1 . . . A 44 LEU CD1 . 18982 1 1407 . 1 1 11 11 LEU CD2 C 13 0.280 0.002 . 1 . . . A 44 LEU CD2 . 18982 1 1408 . 1 1 12 12 ALA H H 1 8.239 0.002 . 1 . . . A 45 ALA HN . 18982 1 1409 . 1 1 12 12 ALA HA H 1 4.426 0.002 . 1 . . . A 45 ALA HA . 18982 1 1410 . 1 1 12 12 ALA CB C 13 1.335 0.002 . 1 . . . A 45 ALA CB . 18982 1 1411 . 1 1 14 14 SER H H 1 8.460 0.002 . 1 . . . A 47 SER HN . 18982 1 1412 . 1 1 14 14 SER HA H 1 4.455 0.002 . 1 . . . A 47 SER HA . 18982 1 1413 . 1 1 14 14 SER CB C 13 3.908 0.002 . 1 . . . A 47 SER CB . 18982 1 1414 . 1 1 15 15 GLN H H 1 8.023 0.002 . 1 . . . A 48 GLN HN . 18982 1 1415 . 1 1 15 15 GLN HA H 1 4.208 0.002 . 1 . . . A 48 GLN HA . 18982 1 1416 . 1 1 15 15 GLN HB2 H 1 2.128 0.002 . 1 . . . A 48 GLN HB2 . 18982 1 1417 . 1 1 15 15 GLN HB3 H 1 1.940 0.002 . 1 . . . A 48 GLN HB3 . 18982 1 1418 . 1 1 15 15 GLN HE21 H 1 6.810 0.002 . 1 . . . A 48 GLN E21 . 18982 1 1419 . 1 1 15 15 GLN HE22 H 1 7.540 0.002 . 1 . . . A 48 GLN E22 . 18982 1 1420 . 1 1 15 15 GLN CG C 13 2.285 0.002 . 1 . . . A 48 GLN CG . 18982 1 stop_ save_