data_18694 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18694 _Entry.Title ; Allosteric communication in the KIX domain proceeds through dynamic re-packing of the hydrophobic core ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-08-31 _Entry.Accession_date 2012-08-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Sven Bruschweiler . . . 18694 2 Paul Schanda . . . 18694 3 Robert Konrat . . . 18694 4 Martin Tollinger . . . 18694 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' . 18694 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'binary complex' . 18694 'CREB binding protein' . 18694 'mixed-lineage leukemia activation domain' . 18694 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18694 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 437 18694 '15N chemical shifts' 108 18694 '1H chemical shifts' 675 18694 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-19 2012-08-31 update BMRB 'update entry citation' 18694 1 . . 2013-06-04 2012-08-31 original author 'original release' 18694 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18695 'KIX domain complex(3)' 18694 PDB 2LXS 'BMRB Entry Tracking System' 18694 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18694 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23651431 _Citation.Full_citation . _Citation.Title 'Allosteric Communication in the KIX Domain Proceeds through Dynamic Repacking of the Hydrophobic Core.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'ACS Chem. Biol.' _Citation.Journal_name_full 'ACS chemical biology' _Citation.Journal_volume 8 _Citation.Journal_issue 7 _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 1600 _Citation.Page_last 1610 _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 Sven Bruschweiler . . . 18694 1 2 Robert Konrat . . . 18694 1 3 Martin Tollinger . . . 18694 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18694 _Assembly.ID 1 _Assembly.Name 'KIX domain complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'KIX domain complex,1' 1 $KIX_1 A . yes native no no . . . 18694 1 2 'KIX domain complex, 2' 2 $KIX_2 B . yes native no no . . . 18694 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KIX_1 _Entity.Sf_category entity _Entity.Sf_framecode KIX_1 _Entity.Entry_ID 18694 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name KIX_1 _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 ; GVRKGWHEHVTQDLRSHLVH KLVQAIFPTPDPAALKDRRM ENLVAYAKKVEGDMYESANS RDEYYHLLAEKIYKIQKELE EKRRSRL ; _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 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10353.954 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16851 . KIX . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18694 1 2 no BMRB 18314 . entity_1 . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18694 1 3 no BMRB 18315 . KIX . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18694 1 4 no BMRB 18695 . KIX_1 . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18694 1 5 no PDB 1KDX . "Kix Domain Of Mouse Cbp (Creb Binding Protein) In Complex With Phosphorylated Kinase Inducible Domain (Pkid) Of Rat Creb (Cycli" . . . . . 91.95 81 100.00 100.00 1.80e-50 . . . . 18694 1 6 no PDB 1SB0 . "Solution Structure Of The Kix Domain Of Cbp Bound To The Transactivation Domain Of C-Myb" . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18694 1 7 no PDB 2AGH . "Structural Basis For Cooperative Transcription Factor Binding To The Cbp Coactivator" . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18694 1 8 no PDB 2KWF . "The Structure Of E-Protein Activation Domain 1 Bound To The Kix Domain Of CbpP300 ELUCIDATES LEUKEMIA INDUCTION BY E2A-Pbx1" . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18694 1 9 no PDB 2LQH . "Nmr Structure Of Foxo3a Transactivation Domains (Cr2c-Cr3) In Complex With Cbp Kix Domain (2b3l Conformation)" . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18694 1 10 no PDB 2LQI . "Nmr Structure Of Foxo3a Transactivation Domains (Cr2c-Cr3) In Complex With Cbp Kix Domain (2l3b Conformation)" . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18694 1 11 no PDB 2LXS . "Allosteric Communication In The Kix Domain Proceeds Through Dynamic Re-packing Of The Hydrophobic Core" . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18694 1 12 no PDB 2LXT . "Allosteric Communication In The Kix Domain Proceeds Through Dynamic Re-packing Of The Hydrophobic Core" . . . . . 100.00 87 100.00 100.00 8.64e-56 . . . . 18694 1 13 no DBJ BAE06125 . "CREBBP variant protein [Homo sapiens]" . . . . . 100.00 2404 100.00 100.00 4.26e-51 . . . . 18694 1 14 no DBJ BAG65526 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1198 100.00 100.00 2.02e-50 . . . . 18694 1 15 no DBJ BAI45616 . "CREB binding protein [synthetic construct]" . . . . . 100.00 2442 100.00 100.00 4.30e-51 . . . . 18694 1 16 no GB AAB28651 . "CREB-binding protein [Mus sp.]" . . . . . 100.00 2441 98.85 100.00 9.48e-51 . . . . 18694 1 17 no GB AAC08447 . "CBP [Homo sapiens]" . . . . . 100.00 555 100.00 100.00 7.56e-55 . . . . 18694 1 18 no GB AAC51331 . "CREB-binding protein [Homo sapiens]" . . . . . 100.00 2442 100.00 100.00 4.30e-51 . . . . 18694 1 19 no GB AAC51770 . "CREB-binding protein [Homo sapiens]" . . . . . 100.00 2442 100.00 100.00 4.30e-51 . . . . 18694 1 20 no GB AAH72594 . "Crebbp protein, partial [Mus musculus]" . . . . . 100.00 1589 100.00 100.00 1.76e-51 . . . . 18694 1 21 no PRF 1923401A . "protein CBP" . . . . . 100.00 2441 97.70 98.85 1.20e-49 . . . . 18694 1 22 no REF NP_001020603 . "CREB-binding protein [Mus musculus]" . . . . . 100.00 2441 100.00 100.00 4.59e-51 . . . . 18694 1 23 no REF NP_001073315 . "CREB-binding protein isoform b [Homo sapiens]" . . . . . 100.00 2404 100.00 100.00 4.26e-51 . . . . 18694 1 24 no REF NP_001157494 . "CREB-binding protein [Bos taurus]" . . . . . 100.00 2435 98.85 98.85 2.85e-50 . . . . 18694 1 25 no REF NP_001247644 . "CREB-binding protein [Macaca mulatta]" . . . . . 100.00 2442 100.00 100.00 4.17e-51 . . . . 18694 1 26 no REF NP_004371 . "CREB-binding protein isoform a [Homo sapiens]" . . . . . 100.00 2442 100.00 100.00 4.30e-51 . . . . 18694 1 27 no SP P45481 . "RecName: Full=CREB-binding protein" . . . . . 100.00 2441 100.00 100.00 4.59e-51 . . . . 18694 1 28 no SP Q6JHU9 . "RecName: Full=CREB-binding protein" . . . . . 100.00 2442 100.00 100.00 4.17e-51 . . . . 18694 1 29 no SP Q92793 . "RecName: Full=CREB-binding protein" . . . . . 100.00 2442 100.00 100.00 4.30e-51 . . . . 18694 1 30 no TPG DAA15549 . "TPA: CREB binding protein [Bos taurus]" . . . . . 100.00 2435 98.85 98.85 2.85e-50 . . . . 18694 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CREB-BINDING PROTEIN' . 18694 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 1 586 GLY . 18694 1 2 587 VAL . 18694 1 3 588 ARG . 18694 1 4 589 LYS . 18694 1 5 590 GLY . 18694 1 6 591 TRP . 18694 1 7 592 HIS . 18694 1 8 593 GLU . 18694 1 9 594 HIS . 18694 1 10 595 VAL . 18694 1 11 596 THR . 18694 1 12 597 GLN . 18694 1 13 598 ASP . 18694 1 14 599 LEU . 18694 1 15 600 ARG . 18694 1 16 601 SER . 18694 1 17 602 HIS . 18694 1 18 603 LEU . 18694 1 19 604 VAL . 18694 1 20 605 HIS . 18694 1 21 606 LYS . 18694 1 22 607 LEU . 18694 1 23 608 VAL . 18694 1 24 609 GLN . 18694 1 25 610 ALA . 18694 1 26 611 ILE . 18694 1 27 612 PHE . 18694 1 28 613 PRO . 18694 1 29 614 THR . 18694 1 30 615 PRO . 18694 1 31 616 ASP . 18694 1 32 617 PRO . 18694 1 33 618 ALA . 18694 1 34 619 ALA . 18694 1 35 620 LEU . 18694 1 36 621 LYS . 18694 1 37 622 ASP . 18694 1 38 623 ARG . 18694 1 39 624 ARG . 18694 1 40 625 MET . 18694 1 41 626 GLU . 18694 1 42 627 ASN . 18694 1 43 628 LEU . 18694 1 44 629 VAL . 18694 1 45 630 ALA . 18694 1 46 631 TYR . 18694 1 47 632 ALA . 18694 1 48 633 LYS . 18694 1 49 634 LYS . 18694 1 50 635 VAL . 18694 1 51 636 GLU . 18694 1 52 637 GLY . 18694 1 53 638 ASP . 18694 1 54 639 MET . 18694 1 55 640 TYR . 18694 1 56 641 GLU . 18694 1 57 642 SER . 18694 1 58 643 ALA . 18694 1 59 644 ASN . 18694 1 60 645 SER . 18694 1 61 646 ARG . 18694 1 62 647 ASP . 18694 1 63 648 GLU . 18694 1 64 649 TYR . 18694 1 65 650 TYR . 18694 1 66 651 HIS . 18694 1 67 652 LEU . 18694 1 68 653 LEU . 18694 1 69 654 ALA . 18694 1 70 655 GLU . 18694 1 71 656 LYS . 18694 1 72 657 ILE . 18694 1 73 658 TYR . 18694 1 74 659 LYS . 18694 1 75 660 ILE . 18694 1 76 661 GLN . 18694 1 77 662 LYS . 18694 1 78 663 GLU . 18694 1 79 664 LEU . 18694 1 80 665 GLU . 18694 1 81 666 GLU . 18694 1 82 667 LYS . 18694 1 83 668 ARG . 18694 1 84 669 ARG . 18694 1 85 670 SER . 18694 1 86 671 ARG . 18694 1 87 672 LEU . 18694 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18694 1 . VAL 2 2 18694 1 . ARG 3 3 18694 1 . LYS 4 4 18694 1 . GLY 5 5 18694 1 . TRP 6 6 18694 1 . HIS 7 7 18694 1 . GLU 8 8 18694 1 . HIS 9 9 18694 1 . VAL 10 10 18694 1 . THR 11 11 18694 1 . GLN 12 12 18694 1 . ASP 13 13 18694 1 . LEU 14 14 18694 1 . ARG 15 15 18694 1 . SER 16 16 18694 1 . HIS 17 17 18694 1 . LEU 18 18 18694 1 . VAL 19 19 18694 1 . HIS 20 20 18694 1 . LYS 21 21 18694 1 . LEU 22 22 18694 1 . VAL 23 23 18694 1 . GLN 24 24 18694 1 . ALA 25 25 18694 1 . ILE 26 26 18694 1 . PHE 27 27 18694 1 . PRO 28 28 18694 1 . THR 29 29 18694 1 . PRO 30 30 18694 1 . ASP 31 31 18694 1 . PRO 32 32 18694 1 . ALA 33 33 18694 1 . ALA 34 34 18694 1 . LEU 35 35 18694 1 . LYS 36 36 18694 1 . ASP 37 37 18694 1 . ARG 38 38 18694 1 . ARG 39 39 18694 1 . MET 40 40 18694 1 . GLU 41 41 18694 1 . ASN 42 42 18694 1 . LEU 43 43 18694 1 . VAL 44 44 18694 1 . ALA 45 45 18694 1 . TYR 46 46 18694 1 . ALA 47 47 18694 1 . LYS 48 48 18694 1 . LYS 49 49 18694 1 . VAL 50 50 18694 1 . GLU 51 51 18694 1 . GLY 52 52 18694 1 . ASP 53 53 18694 1 . MET 54 54 18694 1 . TYR 55 55 18694 1 . GLU 56 56 18694 1 . SER 57 57 18694 1 . ALA 58 58 18694 1 . ASN 59 59 18694 1 . SER 60 60 18694 1 . ARG 61 61 18694 1 . ASP 62 62 18694 1 . GLU 63 63 18694 1 . TYR 64 64 18694 1 . TYR 65 65 18694 1 . HIS 66 66 18694 1 . LEU 67 67 18694 1 . LEU 68 68 18694 1 . ALA 69 69 18694 1 . GLU 70 70 18694 1 . LYS 71 71 18694 1 . ILE 72 72 18694 1 . TYR 73 73 18694 1 . LYS 74 74 18694 1 . ILE 75 75 18694 1 . GLN 76 76 18694 1 . LYS 77 77 18694 1 . GLU 78 78 18694 1 . LEU 79 79 18694 1 . GLU 80 80 18694 1 . GLU 81 81 18694 1 . LYS 82 82 18694 1 . ARG 83 83 18694 1 . ARG 84 84 18694 1 . SER 85 85 18694 1 . ARG 86 86 18694 1 . LEU 87 87 18694 1 stop_ save_ save_KIX_2 _Entity.Sf_category entity _Entity.Sf_framecode KIX_2 _Entity.Entry_ID 18694 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name KIX_2 _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 DAGNILPSDIMDFVLKNTP _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 19 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2061.352 _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 no BMRB 18695 . KIX_2 . . . . . 100.00 19 100.00 100.00 1.97e-03 . . . . 18694 2 2 no PDB 2LXS . "Allosteric Communication In The Kix Domain Proceeds Through Dynamic Re-packing Of The Hydrophobic Core" . . . . . 100.00 19 100.00 100.00 1.97e-03 . . . . 18694 2 3 no PDB 2LXT . "Allosteric Communication In The Kix Domain Proceeds Through Dynamic Re-packing Of The Hydrophobic Core" . . . . . 100.00 19 100.00 100.00 1.97e-03 . . . . 18694 2 4 no DBJ BAD92745 . "myeloid/lymphoid or mixed-lineage leukemia (trithorax homolog, Drosophila) variant [Homo sapiens]" . . . . . 89.47 2880 100.00 100.00 1.40e-01 . . . . 18694 2 5 no EMBL CAA93625 . "ALL-1 protein [Homo sapiens]" . . . . . 89.47 4005 100.00 100.00 1.21e-01 . . . . 18694 2 6 no GB AAA58669 . "HRX [Homo sapiens]" . . . . . 89.47 3969 100.00 100.00 1.18e-01 . . . . 18694 2 7 no GB AAA62593 . "All-1 protein, partial [Mus musculus domesticus]" . . . . . 89.47 3866 100.00 100.00 1.21e-01 . . . . 18694 2 8 no GB AAQ63624 . "myeloid/lymphoid or mixed-lineage leukemia (trithorax homolog, Drosophila) [Homo sapiens]" . . . . . 89.47 3969 100.00 100.00 1.27e-01 . . . . 18694 2 9 no GB ABM46715 . "MLL [Gorilla gorilla]" . . . . . 89.47 1791 100.00 100.00 3.72e-01 . . . . 18694 2 10 no GB ABM54290 . "MLL [Pan paniscus]" . . . . . 89.47 1598 100.00 100.00 5.02e-01 . . . . 18694 2 11 no PIR A48205 . "All-1 protein +GTE form - mouse (fragment)" . . . . . 89.47 3869 100.00 100.00 1.20e-01 . . . . 18694 2 12 no REF NP_001074518 . "histone-lysine N-methyltransferase 2A [Mus musculus]" . . . . . 89.47 3963 100.00 100.00 1.16e-01 . . . . 18694 2 13 no REF NP_001184033 . "histone-lysine N-methyltransferase 2A isoform 1 precursor [Homo sapiens]" . . . . . 89.47 3972 100.00 100.00 1.27e-01 . . . . 18694 2 14 no REF NP_005924 . "histone-lysine N-methyltransferase 2A isoform 2 precursor [Homo sapiens]" . . . . . 89.47 3969 100.00 100.00 1.27e-01 . . . . 18694 2 15 no REF XP_001093874 . "PREDICTED: histone-lysine N-methyltransferase MLL [Macaca mulatta]" . . . . . 89.47 3986 100.00 100.00 1.17e-01 . . . . 18694 2 16 no REF XP_002188579 . "PREDICTED: histone-lysine N-methyltransferase MLL [Taeniopygia guttata]" . . . . . 89.47 3849 100.00 100.00 9.23e-02 . . . . 18694 2 17 no SP P55200 . "RecName: Full=Histone-lysine N-methyltransferase 2A; Short=Lysine N-methyltransferase 2A; AltName: Full=ALL-1; AltName: Full=My" . . . . . 89.47 3966 100.00 100.00 1.12e-01 . . . . 18694 2 18 no SP Q03164 . "RecName: Full=Histone-lysine N-methyltransferase 2A; Short=Lysine N-methyltransferase 2A; AltName: Full=ALL-1; AltName: Full=CX" . . . . . 89.47 3969 100.00 100.00 1.27e-01 . . . . 18694 2 19 no TPG DAA22311 . "TPA: myeloid/lymphoid or mixed-lineage leukemia-like [Bos taurus]" . . . . . 89.47 3821 100.00 100.00 1.58e-01 . . . . 18694 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID MLL . 18694 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 1 840 ASP . 18694 2 2 841 ALA . 18694 2 3 842 GLY . 18694 2 4 843 ASN . 18694 2 5 844 ILE . 18694 2 6 845 LEU . 18694 2 7 846 PRO . 18694 2 8 847 SER . 18694 2 9 848 ASP . 18694 2 10 849 ILE . 18694 2 11 850 MET . 18694 2 12 851 ASP . 18694 2 13 852 PHE . 18694 2 14 853 VAL . 18694 2 15 854 LEU . 18694 2 16 855 LYS . 18694 2 17 856 ASN . 18694 2 18 857 THR . 18694 2 19 858 PRO . 18694 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 . ASP 1 1 18694 2 . ALA 2 2 18694 2 . GLY 3 3 18694 2 . ASN 4 4 18694 2 . ILE 5 5 18694 2 . LEU 6 6 18694 2 . PRO 7 7 18694 2 . SER 8 8 18694 2 . ASP 9 9 18694 2 . ILE 10 10 18694 2 . MET 11 11 18694 2 . ASP 12 12 18694 2 . PHE 13 13 18694 2 . VAL 14 14 18694 2 . LEU 15 15 18694 2 . LYS 16 16 18694 2 . ASN 17 17 18694 2 . THR 18 18 18694 2 . PRO 19 19 18694 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 18694 _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 $KIX_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18694 1 2 2 $KIX_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18694 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 18694 _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 $KIX_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-15b . . . . . . 18694 1 2 2 $KIX_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pETMBP . . . . . . 18694 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18694 _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 KIX_1 '[U-100% 13C; U-100% 15N]' . . 1 $KIX_1 . . 1 . . mM . . . . 18694 1 2 KIX_2 '[U-100% 13C; U-100% 15N]' . . 2 $KIX_2 . . 2 . . mM . . . . 18694 1 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 18694 1 4 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18694 1 5 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 18694 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18694 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18694 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18694 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.8 . pH 18694 1 pressure 1 . atm 18694 1 temperature 300 . K 18694 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18694 _Software.ID 1 _Software.Name ARIA _Software.Version 2.3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18694 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18694 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18694 _Software.ID 2 _Software.Name CNS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18694 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18694 2 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 18694 _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 18694 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18694 _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 . . . 18694 1 2 spectrometer_2 Varian INOVA . 500 . . . 18694 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 18694 _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-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18694 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18694 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18694 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18694 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18694 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18694 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18694 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18694 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18694 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 18694 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18694 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18694 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18694 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 18694 _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 4 '3D HNCO' . . . 18694 1 7 '3D HN(CO)CA' . . . 18694 1 9 '2D 1H-15N HSQC' . . . 18694 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 4.000 0.015 . 2 . . . A 586 GLY HA2 . 18694 1 2 . 1 1 1 1 GLY HA3 H 1 3.932 0.018 . 2 . . . A 586 GLY HA3 . 18694 1 3 . 1 1 1 1 GLY H H 1 8.472 0.007 . 1 . . . A 586 GLY H1 . 18694 1 4 . 1 1 1 1 GLY C C 13 173.963 0.000 . 1 . . . A 586 GLY C . 18694 1 5 . 1 1 1 1 GLY CA C 13 45.214 0.104 . 1 . . . A 586 GLY CA . 18694 1 6 . 1 1 1 1 GLY N N 15 110.673 0.074 . 1 . . . A 586 GLY N . 18694 1 7 . 1 1 2 2 VAL H H 1 8.027 0.017 . 1 . . . A 587 VAL H . 18694 1 8 . 1 1 2 2 VAL HA H 1 4.098 0.017 . 1 . . . A 587 VAL HA . 18694 1 9 . 1 1 2 2 VAL HB H 1 2.018 0.010 . 1 . . . A 587 VAL HB . 18694 1 10 . 1 1 2 2 VAL HG11 H 1 0.891 0.010 . 2 . . . A 587 VAL HG11 . 18694 1 11 . 1 1 2 2 VAL HG12 H 1 0.891 0.010 . 2 . . . A 587 VAL HG12 . 18694 1 12 . 1 1 2 2 VAL HG13 H 1 0.891 0.010 . 2 . . . A 587 VAL HG13 . 18694 1 13 . 1 1 2 2 VAL HG21 H 1 0.904 0.017 . 2 . . . A 587 VAL HG21 . 18694 1 14 . 1 1 2 2 VAL HG22 H 1 0.904 0.017 . 2 . . . A 587 VAL HG22 . 18694 1 15 . 1 1 2 2 VAL HG23 H 1 0.904 0.017 . 2 . . . A 587 VAL HG23 . 18694 1 16 . 1 1 2 2 VAL C C 13 176.340 0.000 . 1 . . . A 587 VAL C . 18694 1 17 . 1 1 2 2 VAL CA C 13 62.229 0.078 . 1 . . . A 587 VAL CA . 18694 1 18 . 1 1 2 2 VAL CB C 13 32.782 0.115 . 1 . . . A 587 VAL CB . 18694 1 19 . 1 1 2 2 VAL CG1 C 13 21.171 0.075 . 2 . . . A 587 VAL CG1 . 18694 1 20 . 1 1 2 2 VAL CG2 C 13 20.880 0.049 . 2 . . . A 587 VAL CG2 . 18694 1 21 . 1 1 2 2 VAL N N 15 119.752 0.067 . 1 . . . A 587 VAL N . 18694 1 22 . 1 1 3 3 ARG H H 1 8.528 0.011 . 1 . . . A 588 ARG H . 18694 1 23 . 1 1 3 3 ARG HA H 1 4.322 0.010 . 1 . . . A 588 ARG HA . 18694 1 24 . 1 1 3 3 ARG HB2 H 1 1.811 0.011 . 1 . . . A 588 ARG HB2 . 18694 1 25 . 1 1 3 3 ARG HB3 H 1 1.811 0.011 . 1 . . . A 588 ARG HB3 . 18694 1 26 . 1 1 3 3 ARG HG2 H 1 1.560 0.012 . 2 . . . A 588 ARG HG2 . 18694 1 27 . 1 1 3 3 ARG HG3 H 1 1.654 0.025 . 2 . . . A 588 ARG HG3 . 18694 1 28 . 1 1 3 3 ARG HD2 H 1 3.178 0.011 . 1 . . . A 588 ARG HD2 . 18694 1 29 . 1 1 3 3 ARG HD3 H 1 3.178 0.011 . 1 . . . A 588 ARG HD3 . 18694 1 30 . 1 1 3 3 ARG C C 13 176.109 0.000 . 1 . . . A 588 ARG C . 18694 1 31 . 1 1 3 3 ARG CA C 13 56.167 0.075 . 1 . . . A 588 ARG CA . 18694 1 32 . 1 1 3 3 ARG CB C 13 30.651 0.065 . 1 . . . A 588 ARG CB . 18694 1 33 . 1 1 3 3 ARG CG C 13 27.227 0.076 . 1 . . . A 588 ARG CG . 18694 1 34 . 1 1 3 3 ARG CD C 13 43.404 0.061 . 1 . . . A 588 ARG CD . 18694 1 35 . 1 1 3 3 ARG N N 15 125.669 0.069 . 1 . . . A 588 ARG N . 18694 1 36 . 1 1 4 4 LYS H H 1 8.116 0.014 . 1 . . . A 589 LYS H . 18694 1 37 . 1 1 4 4 LYS HA H 1 4.186 0.021 . 1 . . . A 589 LYS HA . 18694 1 38 . 1 1 4 4 LYS HB2 H 1 0.819 0.010 . 2 . . . A 589 LYS HB2 . 18694 1 39 . 1 1 4 4 LYS HB3 H 1 1.147 0.012 . 2 . . . A 589 LYS HB3 . 18694 1 40 . 1 1 4 4 LYS C C 13 177.598 0.000 . 1 . . . A 589 LYS C . 18694 1 41 . 1 1 4 4 LYS CA C 13 54.923 0.144 . 1 . . . A 589 LYS CA . 18694 1 42 . 1 1 4 4 LYS CB C 13 32.589 0.068 . 1 . . . A 589 LYS CB . 18694 1 43 . 1 1 4 4 LYS CG C 13 24.725 0.000 . 1 . . . A 589 LYS CG . 18694 1 44 . 1 1 4 4 LYS CD C 13 29.281 0.000 . 1 . . . A 589 LYS CD . 18694 1 45 . 1 1 4 4 LYS CE C 13 42.559 0.000 . 1 . . . A 589 LYS CE . 18694 1 46 . 1 1 4 4 LYS N N 15 121.018 0.102 . 1 . . . A 589 LYS N . 18694 1 47 . 1 1 5 5 GLY H H 1 8.669 0.015 . 1 . . . A 590 GLY H . 18694 1 48 . 1 1 5 5 GLY HA2 H 1 3.753 0.010 . 2 . . . A 590 GLY HA2 . 18694 1 49 . 1 1 5 5 GLY HA3 H 1 3.967 0.016 . 2 . . . A 590 GLY HA3 . 18694 1 50 . 1 1 5 5 GLY C C 13 176.465 0.000 . 1 . . . A 590 GLY C . 18694 1 51 . 1 1 5 5 GLY CA C 13 47.196 0.090 . 1 . . . A 590 GLY CA . 18694 1 52 . 1 1 5 5 GLY N N 15 112.531 0.052 . 1 . . . A 590 GLY N . 18694 1 53 . 1 1 6 6 TRP H H 1 8.026 0.023 . 1 . . . A 591 TRP H . 18694 1 54 . 1 1 6 6 TRP HA H 1 4.505 0.006 . 1 . . . A 591 TRP HA . 18694 1 55 . 1 1 6 6 TRP HB2 H 1 3.167 0.017 . 2 . . . A 591 TRP HB2 . 18694 1 56 . 1 1 6 6 TRP HB3 H 1 3.598 0.008 . 2 . . . A 591 TRP HB3 . 18694 1 57 . 1 1 6 6 TRP HD1 H 1 7.073 0.004 . 1 . . . A 591 TRP HD1 . 18694 1 58 . 1 1 6 6 TRP HE1 H 1 9.228 0.010 . 1 . . . A 591 TRP HE1 . 18694 1 59 . 1 1 6 6 TRP HZ2 H 1 7.509 0.004 . 1 . . . A 591 TRP HZ2 . 18694 1 60 . 1 1 6 6 TRP C C 13 178.177 0.000 . 1 . . . A 591 TRP C . 18694 1 61 . 1 1 6 6 TRP CA C 13 58.128 0.056 . 1 . . . A 591 TRP CA . 18694 1 62 . 1 1 6 6 TRP CB C 13 27.754 0.093 . 1 . . . A 591 TRP CB . 18694 1 63 . 1 1 6 6 TRP CD1 C 13 126.769 0.025 . 1 . . . A 591 TRP CD1 . 18694 1 64 . 1 1 6 6 TRP CZ2 C 13 115.801 0.024 . 1 . . . A 591 TRP CZ2 . 18694 1 65 . 1 1 6 6 TRP N N 15 119.435 0.109 . 1 . . . A 591 TRP N . 18694 1 66 . 1 1 6 6 TRP NE1 N 15 129.443 0.029 . 1 . . . A 591 TRP NE1 . 18694 1 67 . 1 1 7 7 HIS H H 1 7.165 0.013 . 1 . . . A 592 HIS H . 18694 1 68 . 1 1 7 7 HIS HA H 1 3.501 0.013 . 1 . . . A 592 HIS HA . 18694 1 69 . 1 1 7 7 HIS HB2 H 1 2.929 0.018 . 2 . . . A 592 HIS HB2 . 18694 1 70 . 1 1 7 7 HIS HB3 H 1 2.921 0.013 . 2 . . . A 592 HIS HB3 . 18694 1 71 . 1 1 7 7 HIS HD1 H 1 7.449 0.000 . 1 . . . A 592 HIS HD1 . 18694 1 72 . 1 1 7 7 HIS HD2 H 1 7.177 0.031 . 1 . . . A 592 HIS HD2 . 18694 1 73 . 1 1 7 7 HIS CA C 13 56.278 0.106 . 1 . . . A 592 HIS CA . 18694 1 74 . 1 1 7 7 HIS CB C 13 28.484 0.063 . 1 . . . A 592 HIS CB . 18694 1 75 . 1 1 7 7 HIS CD2 C 13 119.991 0.067 . 1 . . . A 592 HIS CD2 . 18694 1 76 . 1 1 7 7 HIS N N 15 119.340 0.068 . 1 . . . A 592 HIS N . 18694 1 77 . 1 1 8 8 GLU H H 1 7.726 0.013 . 1 . . . A 593 GLU H . 18694 1 78 . 1 1 8 8 GLU HA H 1 3.980 0.016 . 1 . . . A 593 GLU HA . 18694 1 79 . 1 1 8 8 GLU HB2 H 1 1.796 0.015 . 2 . . . A 593 GLU HB2 . 18694 1 80 . 1 1 8 8 GLU HB3 H 1 1.798 0.015 . 2 . . . A 593 GLU HB3 . 18694 1 81 . 1 1 8 8 GLU HG2 H 1 2.118 0.012 . 1 . . . A 593 GLU HG2 . 18694 1 82 . 1 1 8 8 GLU HG3 H 1 2.118 0.012 . 1 . . . A 593 GLU HG3 . 18694 1 83 . 1 1 8 8 GLU C C 13 176.675 0.000 . 1 . . . A 593 GLU C . 18694 1 84 . 1 1 8 8 GLU CA C 13 58.108 0.106 . 1 . . . A 593 GLU CA . 18694 1 85 . 1 1 8 8 GLU CB C 13 29.180 0.078 . 1 . . . A 593 GLU CB . 18694 1 86 . 1 1 8 8 GLU CG C 13 35.666 0.061 . 1 . . . A 593 GLU CG . 18694 1 87 . 1 1 8 8 GLU N N 15 116.536 0.073 . 1 . . . A 593 GLU N . 18694 1 88 . 1 1 9 9 HIS H H 1 7.530 0.011 . 1 . . . A 594 HIS H . 18694 1 89 . 1 1 9 9 HIS HA H 1 4.950 0.013 . 1 . . . A 594 HIS HA . 18694 1 90 . 1 1 9 9 HIS HB2 H 1 3.270 0.018 . 2 . . . A 594 HIS HB2 . 18694 1 91 . 1 1 9 9 HIS HB3 H 1 3.716 0.013 . 2 . . . A 594 HIS HB3 . 18694 1 92 . 1 1 9 9 HIS HD2 H 1 7.281 0.009 . 1 . . . A 594 HIS HD2 . 18694 1 93 . 1 1 9 9 HIS CA C 13 54.264 0.059 . 1 . . . A 594 HIS CA . 18694 1 94 . 1 1 9 9 HIS CB C 13 29.182 0.080 . 1 . . . A 594 HIS CB . 18694 1 95 . 1 1 9 9 HIS CD2 C 13 119.965 0.055 . 1 . . . A 594 HIS CD2 . 18694 1 96 . 1 1 9 9 HIS N N 15 112.885 0.109 . 1 . . . A 594 HIS N . 18694 1 97 . 1 1 10 10 VAL H H 1 7.492 0.017 . 1 . . . A 595 VAL H . 18694 1 98 . 1 1 10 10 VAL HA H 1 4.500 0.007 . 1 . . . A 595 VAL HA . 18694 1 99 . 1 1 10 10 VAL HB H 1 2.236 0.012 . 1 . . . A 595 VAL HB . 18694 1 100 . 1 1 10 10 VAL HG11 H 1 1.153 0.009 . 2 . . . A 595 VAL HG11 . 18694 1 101 . 1 1 10 10 VAL HG12 H 1 1.153 0.009 . 2 . . . A 595 VAL HG12 . 18694 1 102 . 1 1 10 10 VAL HG13 H 1 1.153 0.009 . 2 . . . A 595 VAL HG13 . 18694 1 103 . 1 1 10 10 VAL HG21 H 1 1.241 0.017 . 2 . . . A 595 VAL HG21 . 18694 1 104 . 1 1 10 10 VAL HG22 H 1 1.241 0.017 . 2 . . . A 595 VAL HG22 . 18694 1 105 . 1 1 10 10 VAL HG23 H 1 1.241 0.017 . 2 . . . A 595 VAL HG23 . 18694 1 106 . 1 1 10 10 VAL C C 13 174.593 0.000 . 1 . . . A 595 VAL C . 18694 1 107 . 1 1 10 10 VAL CA C 13 62.043 0.084 . 1 . . . A 595 VAL CA . 18694 1 108 . 1 1 10 10 VAL CB C 13 33.362 0.090 . 1 . . . A 595 VAL CB . 18694 1 109 . 1 1 10 10 VAL CG1 C 13 22.368 0.071 . 2 . . . A 595 VAL CG1 . 18694 1 110 . 1 1 10 10 VAL CG2 C 13 21.596 0.030 . 2 . . . A 595 VAL CG2 . 18694 1 111 . 1 1 10 10 VAL N N 15 120.678 0.057 . 1 . . . A 595 VAL N . 18694 1 112 . 1 1 11 11 THR H H 1 7.583 0.010 . 1 . . . A 596 THR H . 18694 1 113 . 1 1 11 11 THR HA H 1 4.494 0.000 . 1 . . . A 596 THR HA . 18694 1 114 . 1 1 11 11 THR HG21 H 1 1.318 0.019 . 1 . . . A 596 THR HG21 . 18694 1 115 . 1 1 11 11 THR HG22 H 1 1.318 0.019 . 1 . . . A 596 THR HG22 . 18694 1 116 . 1 1 11 11 THR HG23 H 1 1.318 0.019 . 1 . . . A 596 THR HG23 . 18694 1 117 . 1 1 11 11 THR C C 13 175.419 0.000 . 1 . . . A 596 THR C . 18694 1 118 . 1 1 11 11 THR CA C 13 60.001 0.089 . 1 . . . A 596 THR CA . 18694 1 119 . 1 1 11 11 THR CB C 13 71.072 0.186 . 1 . . . A 596 THR CB . 18694 1 120 . 1 1 11 11 THR CG2 C 13 22.025 0.051 . 1 . . . A 596 THR CG2 . 18694 1 121 . 1 1 11 11 THR N N 15 115.525 0.060 . 1 . . . A 596 THR N . 18694 1 122 . 1 1 12 12 GLN H H 1 8.929 0.013 . 1 . . . A 597 GLN H . 18694 1 123 . 1 1 12 12 GLN HA H 1 3.818 0.008 . 1 . . . A 597 GLN HA . 18694 1 124 . 1 1 12 12 GLN HB2 H 1 2.056 0.014 . 2 . . . A 597 GLN HB2 . 18694 1 125 . 1 1 12 12 GLN HB3 H 1 2.099 0.019 . 2 . . . A 597 GLN HB3 . 18694 1 126 . 1 1 12 12 GLN HG2 H 1 2.375 0.011 . 1 . . . A 597 GLN HG2 . 18694 1 127 . 1 1 12 12 GLN HG3 H 1 2.375 0.011 . 1 . . . A 597 GLN HG3 . 18694 1 128 . 1 1 12 12 GLN HE21 H 1 7.395 0.016 . 1 . . . A 597 GLN HE21 . 18694 1 129 . 1 1 12 12 GLN HE22 H 1 6.676 0.014 . 1 . . . A 597 GLN HE22 . 18694 1 130 . 1 1 12 12 GLN C C 13 178.079 0.000 . 1 . . . A 597 GLN C . 18694 1 131 . 1 1 12 12 GLN CA C 13 58.754 0.073 . 1 . . . A 597 GLN CA . 18694 1 132 . 1 1 12 12 GLN CB C 13 28.012 0.079 . 1 . . . A 597 GLN CB . 18694 1 133 . 1 1 12 12 GLN CG C 13 33.667 0.047 . 1 . . . A 597 GLN CG . 18694 1 134 . 1 1 12 12 GLN N N 15 120.346 0.075 . 1 . . . A 597 GLN N . 18694 1 135 . 1 1 12 12 GLN NE2 N 15 112.572 0.123 . 1 . . . A 597 GLN NE2 . 18694 1 136 . 1 1 13 13 ASP H H 1 8.382 0.018 . 1 . . . A 598 ASP H . 18694 1 137 . 1 1 13 13 ASP HA H 1 4.340 0.000 . 1 . . . A 598 ASP HA . 18694 1 138 . 1 1 13 13 ASP HB2 H 1 2.593 0.014 . 1 . . . A 598 ASP HB2 . 18694 1 139 . 1 1 13 13 ASP HB3 H 1 2.593 0.014 . 1 . . . A 598 ASP HB3 . 18694 1 140 . 1 1 13 13 ASP C C 13 178.494 0.000 . 1 . . . A 598 ASP C . 18694 1 141 . 1 1 13 13 ASP CA C 13 56.893 0.084 . 1 . . . A 598 ASP CA . 18694 1 142 . 1 1 13 13 ASP CB C 13 40.534 0.075 . 1 . . . A 598 ASP CB . 18694 1 143 . 1 1 13 13 ASP N N 15 117.842 0.086 . 1 . . . A 598 ASP N . 18694 1 144 . 1 1 14 14 LEU H H 1 7.671 0.019 . 1 . . . A 599 LEU H . 18694 1 145 . 1 1 14 14 LEU HA H 1 4.243 0.012 . 1 . . . A 599 LEU HA . 18694 1 146 . 1 1 14 14 LEU HB2 H 1 2.071 0.011 . 2 . . . A 599 LEU HB2 . 18694 1 147 . 1 1 14 14 LEU HB3 H 1 1.851 0.017 . 2 . . . A 599 LEU HB3 . 18694 1 148 . 1 1 14 14 LEU HG H 1 1.882 0.015 . 1 . . . A 599 LEU HG . 18694 1 149 . 1 1 14 14 LEU HD11 H 1 1.232 0.023 . 2 . . . A 599 LEU HD11 . 18694 1 150 . 1 1 14 14 LEU HD12 H 1 1.232 0.023 . 2 . . . A 599 LEU HD12 . 18694 1 151 . 1 1 14 14 LEU HD13 H 1 1.232 0.023 . 2 . . . A 599 LEU HD13 . 18694 1 152 . 1 1 14 14 LEU HD21 H 1 1.321 0.007 . 2 . . . A 599 LEU HD21 . 18694 1 153 . 1 1 14 14 LEU HD22 H 1 1.321 0.007 . 2 . . . A 599 LEU HD22 . 18694 1 154 . 1 1 14 14 LEU HD23 H 1 1.321 0.007 . 2 . . . A 599 LEU HD23 . 18694 1 155 . 1 1 14 14 LEU C C 13 179.129 0.000 . 1 . . . A 599 LEU C . 18694 1 156 . 1 1 14 14 LEU CA C 13 58.443 0.105 . 1 . . . A 599 LEU CA . 18694 1 157 . 1 1 14 14 LEU CB C 13 41.634 0.096 . 1 . . . A 599 LEU CB . 18694 1 158 . 1 1 14 14 LEU CG C 13 27.599 0.018 . 1 . . . A 599 LEU CG . 18694 1 159 . 1 1 14 14 LEU CD1 C 13 24.054 0.023 . 2 . . . A 599 LEU CD1 . 18694 1 160 . 1 1 14 14 LEU CD2 C 13 25.688 0.041 . 2 . . . A 599 LEU CD2 . 18694 1 161 . 1 1 14 14 LEU N N 15 123.174 0.092 . 1 . . . A 599 LEU N . 18694 1 162 . 1 1 15 15 ARG H H 1 7.768 0.015 . 1 . . . A 600 ARG H . 18694 1 163 . 1 1 15 15 ARG HA H 1 4.322 0.009 . 1 . . . A 600 ARG HA . 18694 1 164 . 1 1 15 15 ARG HB2 H 1 1.808 0.005 . 1 . . . A 600 ARG HB2 . 18694 1 165 . 1 1 15 15 ARG HB3 H 1 1.808 0.005 . 1 . . . A 600 ARG HB3 . 18694 1 166 . 1 1 15 15 ARG HG2 H 1 1.561 0.000 . 1 . . . A 600 ARG HG2 . 18694 1 167 . 1 1 15 15 ARG HG3 H 1 1.561 0.000 . 1 . . . A 600 ARG HG3 . 18694 1 168 . 1 1 15 15 ARG C C 13 179.103 0.000 . 1 . . . A 600 ARG C . 18694 1 169 . 1 1 15 15 ARG CA C 13 60.396 0.031 . 1 . . . A 600 ARG CA . 18694 1 170 . 1 1 15 15 ARG CB C 13 30.520 0.188 . 1 . . . A 600 ARG CB . 18694 1 171 . 1 1 15 15 ARG N N 15 118.132 0.093 . 1 . . . A 600 ARG N . 18694 1 172 . 1 1 16 16 SER H H 1 8.501 0.010 . 1 . . . A 601 SER H . 18694 1 173 . 1 1 16 16 SER HA H 1 4.134 0.019 . 1 . . . A 601 SER HA . 18694 1 174 . 1 1 16 16 SER HB2 H 1 3.969 0.009 . 2 . . . A 601 SER HB2 . 18694 1 175 . 1 1 16 16 SER HB3 H 1 3.940 0.018 . 2 . . . A 601 SER HB3 . 18694 1 176 . 1 1 16 16 SER C C 13 177.665 0.000 . 1 . . . A 601 SER C . 18694 1 177 . 1 1 16 16 SER CA C 13 61.534 0.100 . 1 . . . A 601 SER CA . 18694 1 178 . 1 1 16 16 SER CB C 13 62.758 0.085 . 1 . . . A 601 SER CB . 18694 1 179 . 1 1 16 16 SER N N 15 112.865 0.073 . 1 . . . A 601 SER N . 18694 1 180 . 1 1 17 17 HIS H H 1 8.098 0.016 . 1 . . . A 602 HIS H . 18694 1 181 . 1 1 17 17 HIS HA H 1 4.493 0.012 . 1 . . . A 602 HIS HA . 18694 1 182 . 1 1 17 17 HIS HB2 H 1 3.501 0.016 . 2 . . . A 602 HIS HB2 . 18694 1 183 . 1 1 17 17 HIS HB3 H 1 3.538 0.014 . 2 . . . A 602 HIS HB3 . 18694 1 184 . 1 1 17 17 HIS HD2 H 1 7.166 0.022 . 1 . . . A 602 HIS HD2 . 18694 1 185 . 1 1 17 17 HIS CA C 13 58.909 0.059 . 1 . . . A 602 HIS CA . 18694 1 186 . 1 1 17 17 HIS CB C 13 28.089 0.072 . 1 . . . A 602 HIS CB . 18694 1 187 . 1 1 17 17 HIS CD2 C 13 119.967 0.100 . 1 . . . A 602 HIS CD2 . 18694 1 188 . 1 1 17 17 HIS N N 15 121.543 0.121 . 1 . . . A 602 HIS N . 18694 1 189 . 1 1 18 18 LEU H H 1 8.293 0.012 . 1 . . . A 603 LEU H . 18694 1 190 . 1 1 18 18 LEU HA H 1 4.028 0.014 . 1 . . . A 603 LEU HA . 18694 1 191 . 1 1 18 18 LEU HB2 H 1 2.192 0.015 . 2 . . . A 603 LEU HB2 . 18694 1 192 . 1 1 18 18 LEU HB3 H 1 1.335 0.016 . 2 . . . A 603 LEU HB3 . 18694 1 193 . 1 1 18 18 LEU HG H 1 1.947 0.017 . 1 . . . A 603 LEU HG . 18694 1 194 . 1 1 18 18 LEU HD11 H 1 0.959 0.017 . 2 . . . A 603 LEU HD11 . 18694 1 195 . 1 1 18 18 LEU HD12 H 1 0.959 0.017 . 2 . . . A 603 LEU HD12 . 18694 1 196 . 1 1 18 18 LEU HD13 H 1 0.959 0.017 . 2 . . . A 603 LEU HD13 . 18694 1 197 . 1 1 18 18 LEU HD21 H 1 0.802 0.014 . 2 . . . A 603 LEU HD21 . 18694 1 198 . 1 1 18 18 LEU HD22 H 1 0.802 0.014 . 2 . . . A 603 LEU HD22 . 18694 1 199 . 1 1 18 18 LEU HD23 H 1 0.802 0.014 . 2 . . . A 603 LEU HD23 . 18694 1 200 . 1 1 18 18 LEU C C 13 179.275 0.000 . 1 . . . A 603 LEU C . 18694 1 201 . 1 1 18 18 LEU CA C 13 58.097 0.087 . 1 . . . A 603 LEU CA . 18694 1 202 . 1 1 18 18 LEU CB C 13 40.222 0.051 . 1 . . . A 603 LEU CB . 18694 1 203 . 1 1 18 18 LEU CG C 13 27.460 0.056 . 1 . . . A 603 LEU CG . 18694 1 204 . 1 1 18 18 LEU CD1 C 13 25.757 0.083 . 2 . . . A 603 LEU CD1 . 18694 1 205 . 1 1 18 18 LEU CD2 C 13 22.640 0.060 . 2 . . . A 603 LEU CD2 . 18694 1 206 . 1 1 18 18 LEU N N 15 122.394 0.043 . 1 . . . A 603 LEU N . 18694 1 207 . 1 1 19 19 VAL H H 1 8.409 0.012 . 1 . . . A 604 VAL H . 18694 1 208 . 1 1 19 19 VAL HA H 1 3.428 0.017 . 1 . . . A 604 VAL HA . 18694 1 209 . 1 1 19 19 VAL HB H 1 2.218 0.011 . 1 . . . A 604 VAL HB . 18694 1 210 . 1 1 19 19 VAL HG11 H 1 0.829 0.017 . 2 . . . A 604 VAL HG11 . 18694 1 211 . 1 1 19 19 VAL HG12 H 1 0.829 0.017 . 2 . . . A 604 VAL HG12 . 18694 1 212 . 1 1 19 19 VAL HG13 H 1 0.829 0.017 . 2 . . . A 604 VAL HG13 . 18694 1 213 . 1 1 19 19 VAL HG21 H 1 1.031 0.015 . 2 . . . A 604 VAL HG21 . 18694 1 214 . 1 1 19 19 VAL HG22 H 1 1.031 0.015 . 2 . . . A 604 VAL HG22 . 18694 1 215 . 1 1 19 19 VAL HG23 H 1 1.031 0.015 . 2 . . . A 604 VAL HG23 . 18694 1 216 . 1 1 19 19 VAL C C 13 178.026 0.000 . 1 . . . A 604 VAL C . 18694 1 217 . 1 1 19 19 VAL CA C 13 67.892 0.091 . 1 . . . A 604 VAL CA . 18694 1 218 . 1 1 19 19 VAL CB C 13 31.603 0.050 . 1 . . . A 604 VAL CB . 18694 1 219 . 1 1 19 19 VAL CG1 C 13 21.501 0.025 . 2 . . . A 604 VAL CG1 . 18694 1 220 . 1 1 19 19 VAL CG2 C 13 23.929 0.147 . 2 . . . A 604 VAL CG2 . 18694 1 221 . 1 1 19 19 VAL N N 15 120.325 0.070 . 1 . . . A 604 VAL N . 18694 1 222 . 1 1 20 20 HIS H H 1 7.908 0.013 . 1 . . . A 605 HIS H . 18694 1 223 . 1 1 20 20 HIS HA H 1 4.252 0.008 . 1 . . . A 605 HIS HA . 18694 1 224 . 1 1 20 20 HIS HB2 H 1 3.411 0.006 . 2 . . . A 605 HIS HB2 . 18694 1 225 . 1 1 20 20 HIS HB3 H 1 3.350 0.016 . 2 . . . A 605 HIS HB3 . 18694 1 226 . 1 1 20 20 HIS HD2 H 1 7.150 0.012 . 1 . . . A 605 HIS HD2 . 18694 1 227 . 1 1 20 20 HIS CA C 13 59.091 0.109 . 1 . . . A 605 HIS CA . 18694 1 228 . 1 1 20 20 HIS CB C 13 27.880 0.061 . 1 . . . A 605 HIS CB . 18694 1 229 . 1 1 20 20 HIS CD2 C 13 119.960 0.072 . 1 . . . A 605 HIS CD2 . 18694 1 230 . 1 1 20 20 HIS N N 15 116.275 0.071 . 1 . . . A 605 HIS N . 18694 1 231 . 1 1 21 21 LYS H H 1 8.092 0.016 . 1 . . . A 606 LYS H . 18694 1 232 . 1 1 21 21 LYS HA H 1 4.273 0.010 . 1 . . . A 606 LYS HA . 18694 1 233 . 1 1 21 21 LYS C C 13 178.947 0.000 . 1 . . . A 606 LYS C . 18694 1 234 . 1 1 21 21 LYS CA C 13 58.804 0.102 . 1 . . . A 606 LYS CA . 18694 1 235 . 1 1 21 21 LYS N N 15 119.506 0.126 . 1 . . . A 606 LYS N . 18694 1 236 . 1 1 22 22 LEU H H 1 7.994 0.019 . 1 . . . A 607 LEU H . 18694 1 237 . 1 1 22 22 LEU HA H 1 3.958 0.019 . 1 . . . A 607 LEU HA . 18694 1 238 . 1 1 22 22 LEU HB2 H 1 1.996 0.017 . 2 . . . A 607 LEU HB2 . 18694 1 239 . 1 1 22 22 LEU HB3 H 1 1.634 0.019 . 2 . . . A 607 LEU HB3 . 18694 1 240 . 1 1 22 22 LEU HD11 H 1 0.884 0.020 . 2 . . . A 607 LEU HD11 . 18694 1 241 . 1 1 22 22 LEU HD12 H 1 0.884 0.020 . 2 . . . A 607 LEU HD12 . 18694 1 242 . 1 1 22 22 LEU HD13 H 1 0.884 0.020 . 2 . . . A 607 LEU HD13 . 18694 1 243 . 1 1 22 22 LEU HD21 H 1 0.814 0.012 . 2 . . . A 607 LEU HD21 . 18694 1 244 . 1 1 22 22 LEU HD22 H 1 0.814 0.012 . 2 . . . A 607 LEU HD22 . 18694 1 245 . 1 1 22 22 LEU HD23 H 1 0.814 0.012 . 2 . . . A 607 LEU HD23 . 18694 1 246 . 1 1 22 22 LEU C C 13 177.899 0.000 . 1 . . . A 607 LEU C . 18694 1 247 . 1 1 22 22 LEU CA C 13 58.826 0.088 . 1 . . . A 607 LEU CA . 18694 1 248 . 1 1 22 22 LEU CB C 13 42.523 0.072 . 1 . . . A 607 LEU CB . 18694 1 249 . 1 1 22 22 LEU CD1 C 13 25.743 0.038 . 2 . . . A 607 LEU CD1 . 18694 1 250 . 1 1 22 22 LEU CD2 C 13 25.098 0.052 . 2 . . . A 607 LEU CD2 . 18694 1 251 . 1 1 22 22 LEU N N 15 121.321 0.070 . 1 . . . A 607 LEU N . 18694 1 252 . 1 1 23 23 VAL H H 1 8.036 0.019 . 1 . . . A 608 VAL H . 18694 1 253 . 1 1 23 23 VAL HA H 1 3.347 0.012 . 1 . . . A 608 VAL HA . 18694 1 254 . 1 1 23 23 VAL HB H 1 2.220 0.013 . 1 . . . A 608 VAL HB . 18694 1 255 . 1 1 23 23 VAL HG11 H 1 0.935 0.023 . 2 . . . A 608 VAL HG11 . 18694 1 256 . 1 1 23 23 VAL HG12 H 1 0.935 0.023 . 2 . . . A 608 VAL HG12 . 18694 1 257 . 1 1 23 23 VAL HG13 H 1 0.935 0.023 . 2 . . . A 608 VAL HG13 . 18694 1 258 . 1 1 23 23 VAL HG21 H 1 1.027 0.017 . 2 . . . A 608 VAL HG21 . 18694 1 259 . 1 1 23 23 VAL HG22 H 1 1.027 0.017 . 2 . . . A 608 VAL HG22 . 18694 1 260 . 1 1 23 23 VAL HG23 H 1 1.027 0.017 . 2 . . . A 608 VAL HG23 . 18694 1 261 . 1 1 23 23 VAL C C 13 177.033 0.000 . 1 . . . A 608 VAL C . 18694 1 262 . 1 1 23 23 VAL CA C 13 67.943 0.082 . 1 . . . A 608 VAL CA . 18694 1 263 . 1 1 23 23 VAL CB C 13 31.652 0.045 . 1 . . . A 608 VAL CB . 18694 1 264 . 1 1 23 23 VAL CG1 C 13 20.956 0.046 . 2 . . . A 608 VAL CG1 . 18694 1 265 . 1 1 23 23 VAL CG2 C 13 24.207 0.067 . 2 . . . A 608 VAL CG2 . 18694 1 266 . 1 1 23 23 VAL N N 15 118.191 0.056 . 1 . . . A 608 VAL N . 18694 1 267 . 1 1 24 24 GLN H H 1 8.108 0.012 . 1 . . . A 609 GLN H . 18694 1 268 . 1 1 24 24 GLN HA H 1 3.888 0.013 . 1 . . . A 609 GLN HA . 18694 1 269 . 1 1 24 24 GLN HB2 H 1 1.982 0.015 . 1 . . . A 609 GLN HB2 . 18694 1 270 . 1 1 24 24 GLN HB3 H 1 1.982 0.015 . 1 . . . A 609 GLN HB3 . 18694 1 271 . 1 1 24 24 GLN HG2 H 1 2.295 0.010 . 1 . . . A 609 GLN HG2 . 18694 1 272 . 1 1 24 24 GLN HG3 H 1 2.295 0.010 . 1 . . . A 609 GLN HG3 . 18694 1 273 . 1 1 24 24 GLN HE21 H 1 6.823 0.017 . 1 . . . A 609 GLN HE21 . 18694 1 274 . 1 1 24 24 GLN HE22 H 1 7.426 0.016 . 1 . . . A 609 GLN HE22 . 18694 1 275 . 1 1 24 24 GLN C C 13 176.992 0.000 . 1 . . . A 609 GLN C . 18694 1 276 . 1 1 24 24 GLN CA C 13 58.108 0.131 . 1 . . . A 609 GLN CA . 18694 1 277 . 1 1 24 24 GLN CB C 13 29.153 0.097 . 1 . . . A 609 GLN CB . 18694 1 278 . 1 1 24 24 GLN CG C 13 34.367 0.073 . 1 . . . A 609 GLN CG . 18694 1 279 . 1 1 24 24 GLN N N 15 116.772 0.093 . 1 . . . A 609 GLN N . 18694 1 280 . 1 1 24 24 GLN NE2 N 15 111.483 0.129 . 1 . . . A 609 GLN NE2 . 18694 1 281 . 1 1 25 25 ALA H H 1 7.756 0.012 . 1 . . . A 610 ALA H . 18694 1 282 . 1 1 25 25 ALA HA H 1 4.033 0.021 . 1 . . . A 610 ALA HA . 18694 1 283 . 1 1 25 25 ALA HB1 H 1 1.521 0.017 . 1 . . . A 610 ALA HB1 . 18694 1 284 . 1 1 25 25 ALA HB2 H 1 1.521 0.017 . 1 . . . A 610 ALA HB2 . 18694 1 285 . 1 1 25 25 ALA HB3 H 1 1.521 0.017 . 1 . . . A 610 ALA HB3 . 18694 1 286 . 1 1 25 25 ALA C C 13 178.498 0.000 . 1 . . . A 610 ALA C . 18694 1 287 . 1 1 25 25 ALA CA C 13 53.778 0.122 . 1 . . . A 610 ALA CA . 18694 1 288 . 1 1 25 25 ALA CB C 13 19.392 0.088 . 1 . . . A 610 ALA CB . 18694 1 289 . 1 1 25 25 ALA N N 15 119.316 0.065 . 1 . . . A 610 ALA N . 18694 1 290 . 1 1 26 26 ILE H H 1 7.498 0.009 . 1 . . . A 611 ILE H . 18694 1 291 . 1 1 26 26 ILE HA H 1 3.675 0.009 . 1 . . . A 611 ILE HA . 18694 1 292 . 1 1 26 26 ILE HB H 1 1.895 0.012 . 1 . . . A 611 ILE HB . 18694 1 293 . 1 1 26 26 ILE HG12 H 1 2.161 0.017 . 2 . . . A 611 ILE HG12 . 18694 1 294 . 1 1 26 26 ILE HG13 H 1 2.102 0.006 . 2 . . . A 611 ILE HG13 . 18694 1 295 . 1 1 26 26 ILE HG21 H 1 0.896 0.017 . 1 . . . A 611 ILE HG21 . 18694 1 296 . 1 1 26 26 ILE HG22 H 1 0.896 0.017 . 1 . . . A 611 ILE HG22 . 18694 1 297 . 1 1 26 26 ILE HG23 H 1 0.896 0.017 . 1 . . . A 611 ILE HG23 . 18694 1 298 . 1 1 26 26 ILE HD11 H 1 0.936 0.010 . 1 . . . A 611 ILE HD11 . 18694 1 299 . 1 1 26 26 ILE HD12 H 1 0.936 0.010 . 1 . . . A 611 ILE HD12 . 18694 1 300 . 1 1 26 26 ILE HD13 H 1 0.936 0.010 . 1 . . . A 611 ILE HD13 . 18694 1 301 . 1 1 26 26 ILE C C 13 174.299 0.000 . 1 . . . A 611 ILE C . 18694 1 302 . 1 1 26 26 ILE CA C 13 63.725 0.066 . 1 . . . A 611 ILE CA . 18694 1 303 . 1 1 26 26 ILE CB C 13 39.306 0.079 . 1 . . . A 611 ILE CB . 18694 1 304 . 1 1 26 26 ILE CG1 C 13 28.492 0.000 . 1 . . . A 611 ILE CG1 . 18694 1 305 . 1 1 26 26 ILE CG2 C 13 18.835 0.063 . 1 . . . A 611 ILE CG2 . 18694 1 306 . 1 1 26 26 ILE CD1 C 13 14.122 0.059 . 1 . . . A 611 ILE CD1 . 18694 1 307 . 1 1 26 26 ILE N N 15 115.839 0.037 . 1 . . . A 611 ILE N . 18694 1 308 . 1 1 27 27 PHE H H 1 8.235 0.013 . 1 . . . A 612 PHE H . 18694 1 309 . 1 1 27 27 PHE HA H 1 5.096 0.020 . 1 . . . A 612 PHE HA . 18694 1 310 . 1 1 27 27 PHE HB2 H 1 3.385 0.018 . 2 . . . A 612 PHE HB2 . 18694 1 311 . 1 1 27 27 PHE HB3 H 1 3.388 0.017 . 2 . . . A 612 PHE HB3 . 18694 1 312 . 1 1 27 27 PHE HD1 H 1 6.831 0.025 . 3 . . . A 612 PHE HD1 . 18694 1 313 . 1 1 27 27 PHE HD2 H 1 6.831 0.025 . 3 . . . A 612 PHE HD2 . 18694 1 314 . 1 1 27 27 PHE HE1 H 1 6.813 0.025 . 3 . . . A 612 PHE HE1 . 18694 1 315 . 1 1 27 27 PHE HE2 H 1 6.813 0.025 . 3 . . . A 612 PHE HE2 . 18694 1 316 . 1 1 27 27 PHE C C 13 171.610 0.000 . 1 . . . A 612 PHE C . 18694 1 317 . 1 1 27 27 PHE CA C 13 51.716 0.044 . 1 . . . A 612 PHE CA . 18694 1 318 . 1 1 27 27 PHE CB C 13 39.682 0.035 . 1 . . . A 612 PHE CB . 18694 1 319 . 1 1 27 27 PHE CD1 C 13 129.396 0.047 . 3 . . . A 612 PHE CD1 . 18694 1 320 . 1 1 27 27 PHE CD2 C 13 129.396 0.047 . 3 . . . A 612 PHE CD2 . 18694 1 321 . 1 1 27 27 PHE CE1 C 13 131.289 0.052 . 3 . . . A 612 PHE CE1 . 18694 1 322 . 1 1 27 27 PHE CE2 C 13 131.289 0.052 . 3 . . . A 612 PHE CE2 . 18694 1 323 . 1 1 27 27 PHE N N 15 116.531 0.060 . 1 . . . A 612 PHE N . 18694 1 324 . 1 1 28 28 PRO HA H 1 4.573 0.010 . 1 . . . A 613 PRO HA . 18694 1 325 . 1 1 28 28 PRO HB2 H 1 1.989 0.019 . 2 . . . A 613 PRO HB2 . 18694 1 326 . 1 1 28 28 PRO HB3 H 1 2.426 0.018 . 2 . . . A 613 PRO HB3 . 18694 1 327 . 1 1 28 28 PRO HG2 H 1 2.022 0.025 . 2 . . . A 613 PRO HG2 . 18694 1 328 . 1 1 28 28 PRO HG3 H 1 2.049 0.021 . 2 . . . A 613 PRO HG3 . 18694 1 329 . 1 1 28 28 PRO HD2 H 1 3.732 0.016 . 2 . . . A 613 PRO HD2 . 18694 1 330 . 1 1 28 28 PRO HD3 H 1 3.431 0.007 . 2 . . . A 613 PRO HD3 . 18694 1 331 . 1 1 28 28 PRO C C 13 178.269 0.000 . 1 . . . A 613 PRO C . 18694 1 332 . 1 1 28 28 PRO CA C 13 64.778 0.094 . 1 . . . A 613 PRO CA . 18694 1 333 . 1 1 28 28 PRO CB C 13 32.444 0.058 . 1 . . . A 613 PRO CB . 18694 1 334 . 1 1 28 28 PRO CD C 13 50.155 0.041 . 1 . . . A 613 PRO CD . 18694 1 335 . 1 1 29 29 THR H H 1 8.025 0.016 . 1 . . . A 614 THR H . 18694 1 336 . 1 1 29 29 THR HA H 1 4.470 0.021 . 1 . . . A 614 THR HA . 18694 1 337 . 1 1 29 29 THR HB H 1 4.166 0.015 . 1 . . . A 614 THR HB . 18694 1 338 . 1 1 29 29 THR HG21 H 1 1.074 0.005 . 1 . . . A 614 THR HG21 . 18694 1 339 . 1 1 29 29 THR HG22 H 1 1.074 0.005 . 1 . . . A 614 THR HG22 . 18694 1 340 . 1 1 29 29 THR HG23 H 1 1.074 0.005 . 1 . . . A 614 THR HG23 . 18694 1 341 . 1 1 29 29 THR C C 13 172.048 0.000 . 1 . . . A 614 THR C . 18694 1 342 . 1 1 29 29 THR CA C 13 58.106 0.000 . 1 . . . A 614 THR CA . 18694 1 343 . 1 1 29 29 THR CB C 13 69.549 0.204 . 1 . . . A 614 THR CB . 18694 1 344 . 1 1 29 29 THR CG2 C 13 21.487 0.015 . 1 . . . A 614 THR CG2 . 18694 1 345 . 1 1 29 29 THR N N 15 109.561 0.101 . 1 . . . A 614 THR N . 18694 1 346 . 1 1 30 30 PRO HA H 1 3.990 0.013 . 1 . . . A 615 PRO HA . 18694 1 347 . 1 1 30 30 PRO HB2 H 1 0.869 0.017 . 2 . . . A 615 PRO HB2 . 18694 1 348 . 1 1 30 30 PRO HB3 H 1 1.446 0.023 . 2 . . . A 615 PRO HB3 . 18694 1 349 . 1 1 30 30 PRO HG2 H 1 1.218 0.004 . 2 . . . A 615 PRO HG2 . 18694 1 350 . 1 1 30 30 PRO HG3 H 1 1.654 0.017 . 2 . . . A 615 PRO HG3 . 18694 1 351 . 1 1 30 30 PRO HD2 H 1 3.274 0.020 . 2 . . . A 615 PRO HD2 . 18694 1 352 . 1 1 30 30 PRO HD3 H 1 3.265 0.017 . 2 . . . A 615 PRO HD3 . 18694 1 353 . 1 1 30 30 PRO C C 13 176.462 0.000 . 1 . . . A 615 PRO C . 18694 1 354 . 1 1 30 30 PRO CA C 13 62.692 0.111 . 1 . . . A 615 PRO CA . 18694 1 355 . 1 1 30 30 PRO CB C 13 31.302 0.034 . 1 . . . A 615 PRO CB . 18694 1 356 . 1 1 30 30 PRO CG C 13 26.728 0.089 . 1 . . . A 615 PRO CG . 18694 1 357 . 1 1 30 30 PRO CD C 13 49.847 0.041 . 1 . . . A 615 PRO CD . 18694 1 358 . 1 1 31 31 ASP H H 1 8.145 0.015 . 1 . . . A 616 ASP H . 18694 1 359 . 1 1 31 31 ASP HA H 1 4.753 0.016 . 1 . . . A 616 ASP HA . 18694 1 360 . 1 1 31 31 ASP HB2 H 1 2.805 0.014 . 2 . . . A 616 ASP HB2 . 18694 1 361 . 1 1 31 31 ASP HB3 H 1 2.990 0.012 . 2 . . . A 616 ASP HB3 . 18694 1 362 . 1 1 31 31 ASP C C 13 174.226 0.000 . 1 . . . A 616 ASP C . 18694 1 363 . 1 1 31 31 ASP CA C 13 51.858 0.058 . 1 . . . A 616 ASP CA . 18694 1 364 . 1 1 31 31 ASP CB C 13 39.930 0.084 . 1 . . . A 616 ASP CB . 18694 1 365 . 1 1 31 31 ASP N N 15 122.743 0.070 . 1 . . . A 616 ASP N . 18694 1 366 . 1 1 32 32 PRO HA H 1 4.110 0.023 . 1 . . . A 617 PRO HA . 18694 1 367 . 1 1 32 32 PRO HB2 H 1 2.243 0.007 . 2 . . . A 617 PRO HB2 . 18694 1 368 . 1 1 32 32 PRO HB3 H 1 2.353 0.021 . 2 . . . A 617 PRO HB3 . 18694 1 369 . 1 1 32 32 PRO HG2 H 1 2.129 0.006 . 2 . . . A 617 PRO HG2 . 18694 1 370 . 1 1 32 32 PRO HG3 H 1 1.926 0.037 . 2 . . . A 617 PRO HG3 . 18694 1 371 . 1 1 32 32 PRO HD2 H 1 3.814 0.024 . 2 . . . A 617 PRO HD2 . 18694 1 372 . 1 1 32 32 PRO HD3 H 1 3.855 0.015 . 2 . . . A 617 PRO HD3 . 18694 1 373 . 1 1 32 32 PRO C C 13 178.885 0.000 . 1 . . . A 617 PRO C . 18694 1 374 . 1 1 32 32 PRO CA C 13 66.015 0.167 . 1 . . . A 617 PRO CA . 18694 1 375 . 1 1 32 32 PRO CB C 13 31.934 0.083 . 1 . . . A 617 PRO CB . 18694 1 376 . 1 1 32 32 PRO CG C 13 28.001 0.128 . 1 . . . A 617 PRO CG . 18694 1 377 . 1 1 32 32 PRO CD C 13 50.613 0.043 . 1 . . . A 617 PRO CD . 18694 1 378 . 1 1 33 33 ALA H H 1 8.093 0.011 . 1 . . . A 618 ALA H . 18694 1 379 . 1 1 33 33 ALA HA H 1 4.083 0.016 . 1 . . . A 618 ALA HA . 18694 1 380 . 1 1 33 33 ALA HB1 H 1 1.455 0.010 . 1 . . . A 618 ALA HB1 . 18694 1 381 . 1 1 33 33 ALA HB2 H 1 1.455 0.010 . 1 . . . A 618 ALA HB2 . 18694 1 382 . 1 1 33 33 ALA HB3 H 1 1.455 0.010 . 1 . . . A 618 ALA HB3 . 18694 1 383 . 1 1 33 33 ALA C C 13 180.518 0.000 . 1 . . . A 618 ALA C . 18694 1 384 . 1 1 33 33 ALA CA C 13 54.722 0.103 . 1 . . . A 618 ALA CA . 18694 1 385 . 1 1 33 33 ALA CB C 13 18.191 0.073 . 1 . . . A 618 ALA CB . 18694 1 386 . 1 1 33 33 ALA N N 15 118.548 0.088 . 1 . . . A 618 ALA N . 18694 1 387 . 1 1 34 34 ALA H H 1 8.039 0.011 . 1 . . . A 619 ALA H . 18694 1 388 . 1 1 34 34 ALA HA H 1 4.325 0.010 . 1 . . . A 619 ALA HA . 18694 1 389 . 1 1 34 34 ALA HB1 H 1 1.519 0.019 . 1 . . . A 619 ALA HB1 . 18694 1 390 . 1 1 34 34 ALA HB2 H 1 1.519 0.019 . 1 . . . A 619 ALA HB2 . 18694 1 391 . 1 1 34 34 ALA HB3 H 1 1.519 0.019 . 1 . . . A 619 ALA HB3 . 18694 1 392 . 1 1 34 34 ALA C C 13 179.318 0.000 . 1 . . . A 619 ALA C . 18694 1 393 . 1 1 34 34 ALA CA C 13 54.685 0.101 . 1 . . . A 619 ALA CA . 18694 1 394 . 1 1 34 34 ALA CB C 13 18.655 0.122 . 1 . . . A 619 ALA CB . 18694 1 395 . 1 1 34 34 ALA N N 15 122.623 0.098 . 1 . . . A 619 ALA N . 18694 1 396 . 1 1 35 35 LEU H H 1 7.606 0.014 . 1 . . . A 620 LEU H . 18694 1 397 . 1 1 35 35 LEU HA H 1 4.047 0.022 . 1 . . . A 620 LEU HA . 18694 1 398 . 1 1 35 35 LEU HB2 H 1 1.786 0.012 . 2 . . . A 620 LEU HB2 . 18694 1 399 . 1 1 35 35 LEU HB3 H 1 1.517 0.011 . 2 . . . A 620 LEU HB3 . 18694 1 400 . 1 1 35 35 LEU HG H 1 1.595 0.012 . 1 . . . A 620 LEU HG . 18694 1 401 . 1 1 35 35 LEU HD11 H 1 0.833 0.014 . 2 . . . A 620 LEU HD11 . 18694 1 402 . 1 1 35 35 LEU HD12 H 1 0.833 0.014 . 2 . . . A 620 LEU HD12 . 18694 1 403 . 1 1 35 35 LEU HD13 H 1 0.833 0.014 . 2 . . . A 620 LEU HD13 . 18694 1 404 . 1 1 35 35 LEU HD21 H 1 0.849 0.006 . 2 . . . A 620 LEU HD21 . 18694 1 405 . 1 1 35 35 LEU HD22 H 1 0.849 0.006 . 2 . . . A 620 LEU HD22 . 18694 1 406 . 1 1 35 35 LEU HD23 H 1 0.849 0.006 . 2 . . . A 620 LEU HD23 . 18694 1 407 . 1 1 35 35 LEU C C 13 178.288 0.000 . 1 . . . A 620 LEU C . 18694 1 408 . 1 1 35 35 LEU CA C 13 57.139 0.153 . 1 . . . A 620 LEU CA . 18694 1 409 . 1 1 35 35 LEU CB C 13 42.147 0.080 . 1 . . . A 620 LEU CB . 18694 1 410 . 1 1 35 35 LEU CG C 13 27.166 0.081 . 1 . . . A 620 LEU CG . 18694 1 411 . 1 1 35 35 LEU CD1 C 13 25.254 0.054 . 2 . . . A 620 LEU CD1 . 18694 1 412 . 1 1 35 35 LEU CD2 C 13 23.282 0.068 . 2 . . . A 620 LEU CD2 . 18694 1 413 . 1 1 35 35 LEU N N 15 114.041 0.105 . 1 . . . A 620 LEU N . 18694 1 414 . 1 1 36 36 LYS H H 1 7.272 0.013 . 1 . . . A 621 LYS H . 18694 1 415 . 1 1 36 36 LYS HA H 1 4.337 0.013 . 1 . . . A 621 LYS HA . 18694 1 416 . 1 1 36 36 LYS HB2 H 1 1.780 0.010 . 2 . . . A 621 LYS HB2 . 18694 1 417 . 1 1 36 36 LYS HB3 H 1 1.974 0.006 . 2 . . . A 621 LYS HB3 . 18694 1 418 . 1 1 36 36 LYS HG2 H 1 1.504 0.008 . 1 . . . A 621 LYS HG2 . 18694 1 419 . 1 1 36 36 LYS HG3 H 1 1.504 0.008 . 1 . . . A 621 LYS HG3 . 18694 1 420 . 1 1 36 36 LYS C C 13 175.867 0.000 . 1 . . . A 621 LYS C . 18694 1 421 . 1 1 36 36 LYS CA C 13 55.453 0.110 . 1 . . . A 621 LYS CA . 18694 1 422 . 1 1 36 36 LYS CB C 13 32.881 0.094 . 1 . . . A 621 LYS CB . 18694 1 423 . 1 1 36 36 LYS CG C 13 24.835 0.061 . 1 . . . A 621 LYS CG . 18694 1 424 . 1 1 36 36 LYS CD C 13 29.004 0.000 . 1 . . . A 621 LYS CD . 18694 1 425 . 1 1 36 36 LYS CE C 13 42.002 0.000 . 1 . . . A 621 LYS CE . 18694 1 426 . 1 1 36 36 LYS N N 15 115.255 0.072 . 1 . . . A 621 LYS N . 18694 1 427 . 1 1 37 37 ASP H H 1 7.454 0.017 . 1 . . . A 622 ASP H . 18694 1 428 . 1 1 37 37 ASP HA H 1 4.493 0.011 . 1 . . . A 622 ASP HA . 18694 1 429 . 1 1 37 37 ASP HB2 H 1 3.033 0.015 . 2 . . . A 622 ASP HB2 . 18694 1 430 . 1 1 37 37 ASP HB3 H 1 2.854 0.016 . 2 . . . A 622 ASP HB3 . 18694 1 431 . 1 1 37 37 ASP C C 13 178.117 0.000 . 1 . . . A 622 ASP C . 18694 1 432 . 1 1 37 37 ASP CA C 13 53.884 0.068 . 1 . . . A 622 ASP CA . 18694 1 433 . 1 1 37 37 ASP CB C 13 43.987 0.158 . 1 . . . A 622 ASP CB . 18694 1 434 . 1 1 37 37 ASP N N 15 123.382 0.066 . 1 . . . A 622 ASP N . 18694 1 435 . 1 1 38 38 ARG H H 1 9.107 0.011 . 1 . . . A 623 ARG H . 18694 1 436 . 1 1 38 38 ARG HA H 1 4.087 0.007 . 1 . . . A 623 ARG HA . 18694 1 437 . 1 1 38 38 ARG HB2 H 1 1.851 0.006 . 2 . . . A 623 ARG HB2 . 18694 1 438 . 1 1 38 38 ARG HB3 H 1 1.862 0.017 . 2 . . . A 623 ARG HB3 . 18694 1 439 . 1 1 38 38 ARG HG2 H 1 1.659 0.004 . 2 . . . A 623 ARG HG2 . 18694 1 440 . 1 1 38 38 ARG HG3 H 1 1.722 0.004 . 2 . . . A 623 ARG HG3 . 18694 1 441 . 1 1 38 38 ARG C C 13 178.321 0.000 . 1 . . . A 623 ARG C . 18694 1 442 . 1 1 38 38 ARG CA C 13 58.789 0.063 . 1 . . . A 623 ARG CA . 18694 1 443 . 1 1 38 38 ARG CB C 13 29.511 0.119 . 1 . . . A 623 ARG CB . 18694 1 444 . 1 1 38 38 ARG CG C 13 26.876 0.072 . 1 . . . A 623 ARG CG . 18694 1 445 . 1 1 38 38 ARG CD C 13 42.932 0.000 . 1 . . . A 623 ARG CD . 18694 1 446 . 1 1 38 38 ARG N N 15 130.356 0.046 . 1 . . . A 623 ARG N . 18694 1 447 . 1 1 39 39 ARG H H 1 9.582 0.016 . 1 . . . A 624 ARG H . 18694 1 448 . 1 1 39 39 ARG HA H 1 3.834 0.012 . 1 . . . A 624 ARG HA . 18694 1 449 . 1 1 39 39 ARG HD2 H 1 2.832 0.003 . 2 . . . A 624 ARG HD2 . 18694 1 450 . 1 1 39 39 ARG HD3 H 1 3.191 0.014 . 2 . . . A 624 ARG HD3 . 18694 1 451 . 1 1 39 39 ARG C C 13 178.521 0.000 . 1 . . . A 624 ARG C . 18694 1 452 . 1 1 39 39 ARG CA C 13 58.679 0.098 . 1 . . . A 624 ARG CA . 18694 1 453 . 1 1 39 39 ARG CB C 13 28.099 0.013 . 1 . . . A 624 ARG CB . 18694 1 454 . 1 1 39 39 ARG CD C 13 43.715 0.145 . 1 . . . A 624 ARG CD . 18694 1 455 . 1 1 39 39 ARG N N 15 119.125 0.053 . 1 . . . A 624 ARG N . 18694 1 456 . 1 1 40 40 MET H H 1 7.953 0.018 . 1 . . . A 625 MET H . 18694 1 457 . 1 1 40 40 MET HA H 1 4.527 0.018 . 1 . . . A 625 MET HA . 18694 1 458 . 1 1 40 40 MET HB2 H 1 2.382 0.019 . 2 . . . A 625 MET HB2 . 18694 1 459 . 1 1 40 40 MET HB3 H 1 2.390 0.024 . 2 . . . A 625 MET HB3 . 18694 1 460 . 1 1 40 40 MET HG2 H 1 2.686 0.001 . 2 . . . A 625 MET HG2 . 18694 1 461 . 1 1 40 40 MET HG3 H 1 2.687 0.001 . 2 . . . A 625 MET HG3 . 18694 1 462 . 1 1 40 40 MET HE1 H 1 1.917 0.004 . 1 . . . A 625 MET HE1 . 18694 1 463 . 1 1 40 40 MET HE2 H 1 1.917 0.004 . 1 . . . A 625 MET HE2 . 18694 1 464 . 1 1 40 40 MET HE3 H 1 1.917 0.004 . 1 . . . A 625 MET HE3 . 18694 1 465 . 1 1 40 40 MET C C 13 178.749 0.000 . 1 . . . A 625 MET C . 18694 1 466 . 1 1 40 40 MET CA C 13 56.796 0.052 . 1 . . . A 625 MET CA . 18694 1 467 . 1 1 40 40 MET CB C 13 30.890 0.050 . 1 . . . A 625 MET CB . 18694 1 468 . 1 1 40 40 MET CE C 13 17.392 0.018 . 1 . . . A 625 MET CE . 18694 1 469 . 1 1 40 40 MET N N 15 120.202 0.067 . 1 . . . A 625 MET N . 18694 1 470 . 1 1 41 41 GLU H H 1 7.431 0.018 . 1 . . . A 626 GLU H . 18694 1 471 . 1 1 41 41 GLU HA H 1 4.060 0.011 . 1 . . . A 626 GLU HA . 18694 1 472 . 1 1 41 41 GLU HB2 H 1 2.115 0.010 . 2 . . . A 626 GLU HB2 . 18694 1 473 . 1 1 41 41 GLU HB3 H 1 2.180 0.003 . 2 . . . A 626 GLU HB3 . 18694 1 474 . 1 1 41 41 GLU C C 13 179.640 0.000 . 1 . . . A 626 GLU C . 18694 1 475 . 1 1 41 41 GLU CA C 13 58.980 0.128 . 1 . . . A 626 GLU CA . 18694 1 476 . 1 1 41 41 GLU CB C 13 28.532 0.068 . 1 . . . A 626 GLU CB . 18694 1 477 . 1 1 41 41 GLU N N 15 117.897 0.127 . 1 . . . A 626 GLU N . 18694 1 478 . 1 1 42 42 ASN H H 1 7.442 0.015 . 1 . . . A 627 ASN H . 18694 1 479 . 1 1 42 42 ASN HA H 1 4.489 0.013 . 1 . . . A 627 ASN HA . 18694 1 480 . 1 1 42 42 ASN HB2 H 1 2.811 0.006 . 2 . . . A 627 ASN HB2 . 18694 1 481 . 1 1 42 42 ASN HB3 H 1 2.818 0.011 . 2 . . . A 627 ASN HB3 . 18694 1 482 . 1 1 42 42 ASN HD21 H 1 7.784 0.010 . 1 . . . A 627 ASN HD21 . 18694 1 483 . 1 1 42 42 ASN HD22 H 1 6.839 0.009 . 1 . . . A 627 ASN HD22 . 18694 1 484 . 1 1 42 42 ASN C C 13 177.540 0.000 . 1 . . . A 627 ASN C . 18694 1 485 . 1 1 42 42 ASN CA C 13 55.798 0.048 . 1 . . . A 627 ASN CA . 18694 1 486 . 1 1 42 42 ASN CB C 13 37.504 0.056 . 1 . . . A 627 ASN CB . 18694 1 487 . 1 1 42 42 ASN N N 15 117.950 0.097 . 1 . . . A 627 ASN N . 18694 1 488 . 1 1 42 42 ASN ND2 N 15 112.042 0.107 . 1 . . . A 627 ASN ND2 . 18694 1 489 . 1 1 43 43 LEU H H 1 7.873 0.015 . 1 . . . A 628 LEU H . 18694 1 490 . 1 1 43 43 LEU HA H 1 4.189 0.015 . 1 . . . A 628 LEU HA . 18694 1 491 . 1 1 43 43 LEU HB2 H 1 2.473 0.018 . 2 . . . A 628 LEU HB2 . 18694 1 492 . 1 1 43 43 LEU HB3 H 1 1.817 0.015 . 2 . . . A 628 LEU HB3 . 18694 1 493 . 1 1 43 43 LEU HG H 1 1.818 0.018 . 1 . . . A 628 LEU HG . 18694 1 494 . 1 1 43 43 LEU HD11 H 1 1.201 0.019 . 2 . . . A 628 LEU HD11 . 18694 1 495 . 1 1 43 43 LEU HD12 H 1 1.201 0.019 . 2 . . . A 628 LEU HD12 . 18694 1 496 . 1 1 43 43 LEU HD13 H 1 1.201 0.019 . 2 . . . A 628 LEU HD13 . 18694 1 497 . 1 1 43 43 LEU HD21 H 1 1.207 0.013 . 2 . . . A 628 LEU HD21 . 18694 1 498 . 1 1 43 43 LEU HD22 H 1 1.207 0.013 . 2 . . . A 628 LEU HD22 . 18694 1 499 . 1 1 43 43 LEU HD23 H 1 1.207 0.013 . 2 . . . A 628 LEU HD23 . 18694 1 500 . 1 1 43 43 LEU C C 13 177.838 0.000 . 1 . . . A 628 LEU C . 18694 1 501 . 1 1 43 43 LEU CA C 13 59.342 0.099 . 1 . . . A 628 LEU CA . 18694 1 502 . 1 1 43 43 LEU CB C 13 41.701 0.062 . 1 . . . A 628 LEU CB . 18694 1 503 . 1 1 43 43 LEU CG C 13 28.772 0.080 . 1 . . . A 628 LEU CG . 18694 1 504 . 1 1 43 43 LEU CD1 C 13 26.420 0.157 . 2 . . . A 628 LEU CD1 . 18694 1 505 . 1 1 43 43 LEU CD2 C 13 26.555 0.093 . 2 . . . A 628 LEU CD2 . 18694 1 506 . 1 1 43 43 LEU N N 15 124.396 0.048 . 1 . . . A 628 LEU N . 18694 1 507 . 1 1 44 44 VAL H H 1 8.246 0.009 . 1 . . . A 629 VAL H . 18694 1 508 . 1 1 44 44 VAL HA H 1 3.483 0.019 . 1 . . . A 629 VAL HA . 18694 1 509 . 1 1 44 44 VAL HB H 1 2.118 0.017 . 1 . . . A 629 VAL HB . 18694 1 510 . 1 1 44 44 VAL HG11 H 1 0.918 0.021 . 2 . . . A 629 VAL HG11 . 18694 1 511 . 1 1 44 44 VAL HG12 H 1 0.918 0.021 . 2 . . . A 629 VAL HG12 . 18694 1 512 . 1 1 44 44 VAL HG13 H 1 0.918 0.021 . 2 . . . A 629 VAL HG13 . 18694 1 513 . 1 1 44 44 VAL HG21 H 1 1.127 0.008 . 2 . . . A 629 VAL HG21 . 18694 1 514 . 1 1 44 44 VAL HG22 H 1 1.127 0.008 . 2 . . . A 629 VAL HG22 . 18694 1 515 . 1 1 44 44 VAL HG23 H 1 1.127 0.008 . 2 . . . A 629 VAL HG23 . 18694 1 516 . 1 1 44 44 VAL C C 13 177.552 0.000 . 1 . . . A 629 VAL C . 18694 1 517 . 1 1 44 44 VAL CA C 13 67.225 0.099 . 1 . . . A 629 VAL CA . 18694 1 518 . 1 1 44 44 VAL CB C 13 31.687 0.062 . 1 . . . A 629 VAL CB . 18694 1 519 . 1 1 44 44 VAL CG1 C 13 21.184 0.079 . 2 . . . A 629 VAL CG1 . 18694 1 520 . 1 1 44 44 VAL CG2 C 13 22.716 0.030 . 2 . . . A 629 VAL CG2 . 18694 1 521 . 1 1 44 44 VAL N N 15 120.503 0.056 . 1 . . . A 629 VAL N . 18694 1 522 . 1 1 45 45 ALA H H 1 8.159 0.007 . 1 . . . A 630 ALA H . 18694 1 523 . 1 1 45 45 ALA HA H 1 4.032 0.010 . 1 . . . A 630 ALA HA . 18694 1 524 . 1 1 45 45 ALA HB1 H 1 1.542 0.017 . 1 . . . A 630 ALA HB1 . 18694 1 525 . 1 1 45 45 ALA HB2 H 1 1.542 0.017 . 1 . . . A 630 ALA HB2 . 18694 1 526 . 1 1 45 45 ALA HB3 H 1 1.542 0.017 . 1 . . . A 630 ALA HB3 . 18694 1 527 . 1 1 45 45 ALA C C 13 180.849 0.000 . 1 . . . A 630 ALA C . 18694 1 528 . 1 1 45 45 ALA CA C 13 55.414 0.128 . 1 . . . A 630 ALA CA . 18694 1 529 . 1 1 45 45 ALA CB C 13 18.092 0.081 . 1 . . . A 630 ALA CB . 18694 1 530 . 1 1 45 45 ALA N N 15 120.687 0.077 . 1 . . . A 630 ALA N . 18694 1 531 . 1 1 46 46 TYR H H 1 8.102 0.013 . 1 . . . A 631 TYR H . 18694 1 532 . 1 1 46 46 TYR HA H 1 4.239 0.019 . 1 . . . A 631 TYR HA . 18694 1 533 . 1 1 46 46 TYR HB2 H 1 3.362 0.024 . 2 . . . A 631 TYR HB2 . 18694 1 534 . 1 1 46 46 TYR HB3 H 1 3.238 0.013 . 2 . . . A 631 TYR HB3 . 18694 1 535 . 1 1 46 46 TYR HD1 H 1 6.988 0.017 . 3 . . . A 631 TYR HD1 . 18694 1 536 . 1 1 46 46 TYR HD2 H 1 6.988 0.017 . 3 . . . A 631 TYR HD2 . 18694 1 537 . 1 1 46 46 TYR HE1 H 1 6.613 0.016 . 3 . . . A 631 TYR HE1 . 18694 1 538 . 1 1 46 46 TYR HE2 H 1 6.613 0.016 . 3 . . . A 631 TYR HE2 . 18694 1 539 . 1 1 46 46 TYR C C 13 177.591 0.000 . 1 . . . A 631 TYR C . 18694 1 540 . 1 1 46 46 TYR CA C 13 61.311 0.094 . 1 . . . A 631 TYR CA . 18694 1 541 . 1 1 46 46 TYR CB C 13 38.219 0.072 . 1 . . . A 631 TYR CB . 18694 1 542 . 1 1 46 46 TYR CD1 C 13 132.511 0.050 . 3 . . . A 631 TYR CD1 . 18694 1 543 . 1 1 46 46 TYR CD2 C 13 132.511 0.050 . 3 . . . A 631 TYR CD2 . 18694 1 544 . 1 1 46 46 TYR CE1 C 13 118.406 0.062 . 3 . . . A 631 TYR CE1 . 18694 1 545 . 1 1 46 46 TYR CE2 C 13 118.406 0.062 . 3 . . . A 631 TYR CE2 . 18694 1 546 . 1 1 46 46 TYR N N 15 121.083 0.094 . 1 . . . A 631 TYR N . 18694 1 547 . 1 1 47 47 ALA H H 1 8.292 0.014 . 1 . . . A 632 ALA H . 18694 1 548 . 1 1 47 47 ALA HA H 1 3.682 0.015 . 1 . . . A 632 ALA HA . 18694 1 549 . 1 1 47 47 ALA HB1 H 1 1.543 0.018 . 1 . . . A 632 ALA HB1 . 18694 1 550 . 1 1 47 47 ALA HB2 H 1 1.543 0.018 . 1 . . . A 632 ALA HB2 . 18694 1 551 . 1 1 47 47 ALA HB3 H 1 1.543 0.018 . 1 . . . A 632 ALA HB3 . 18694 1 552 . 1 1 47 47 ALA C C 13 179.014 0.000 . 1 . . . A 632 ALA C . 18694 1 553 . 1 1 47 47 ALA CA C 13 55.342 0.078 . 1 . . . A 632 ALA CA . 18694 1 554 . 1 1 47 47 ALA CB C 13 19.824 0.052 . 1 . . . A 632 ALA CB . 18694 1 555 . 1 1 47 47 ALA N N 15 122.444 0.048 . 1 . . . A 632 ALA N . 18694 1 556 . 1 1 48 48 LYS H H 1 8.548 0.016 . 1 . . . A 633 LYS H . 18694 1 557 . 1 1 48 48 LYS HA H 1 4.010 0.021 . 1 . . . A 633 LYS HA . 18694 1 558 . 1 1 48 48 LYS HB2 H 1 1.862 0.013 . 2 . . . A 633 LYS HB2 . 18694 1 559 . 1 1 48 48 LYS HB3 H 1 2.009 0.019 . 2 . . . A 633 LYS HB3 . 18694 1 560 . 1 1 48 48 LYS HG2 H 1 1.367 0.003 . 1 . . . A 633 LYS HG2 . 18694 1 561 . 1 1 48 48 LYS HG3 H 1 1.367 0.003 . 1 . . . A 633 LYS HG3 . 18694 1 562 . 1 1 48 48 LYS HD2 H 1 1.635 0.028 . 1 . . . A 633 LYS HD2 . 18694 1 563 . 1 1 48 48 LYS HD3 H 1 1.635 0.028 . 1 . . . A 633 LYS HD3 . 18694 1 564 . 1 1 48 48 LYS HE2 H 1 2.839 0.021 . 2 . . . A 633 LYS HE2 . 18694 1 565 . 1 1 48 48 LYS HE3 H 1 2.907 0.015 . 2 . . . A 633 LYS HE3 . 18694 1 566 . 1 1 48 48 LYS C C 13 180.004 0.000 . 1 . . . A 633 LYS C . 18694 1 567 . 1 1 48 48 LYS CA C 13 59.704 0.146 . 1 . . . A 633 LYS CA . 18694 1 568 . 1 1 48 48 LYS CB C 13 32.667 0.243 . 1 . . . A 633 LYS CB . 18694 1 569 . 1 1 48 48 LYS CG C 13 26.855 0.037 . 1 . . . A 633 LYS CG . 18694 1 570 . 1 1 48 48 LYS CD C 13 29.828 0.044 . 1 . . . A 633 LYS CD . 18694 1 571 . 1 1 48 48 LYS CE C 13 42.006 0.107 . 1 . . . A 633 LYS CE . 18694 1 572 . 1 1 48 48 LYS N N 15 115.912 0.053 . 1 . . . A 633 LYS N . 18694 1 573 . 1 1 49 49 LYS H H 1 7.943 0.007 . 1 . . . A 634 LYS H . 18694 1 574 . 1 1 49 49 LYS HA H 1 4.012 0.003 . 1 . . . A 634 LYS HA . 18694 1 575 . 1 1 49 49 LYS C C 13 178.603 0.000 . 1 . . . A 634 LYS C . 18694 1 576 . 1 1 49 49 LYS CA C 13 59.102 0.071 . 1 . . . A 634 LYS CA . 18694 1 577 . 1 1 49 49 LYS CB C 13 31.789 0.083 . 1 . . . A 634 LYS CB . 18694 1 578 . 1 1 49 49 LYS CG C 13 24.702 0.000 . 1 . . . A 634 LYS CG . 18694 1 579 . 1 1 49 49 LYS CD C 13 29.019 0.000 . 1 . . . A 634 LYS CD . 18694 1 580 . 1 1 49 49 LYS CE C 13 42.314 0.000 . 1 . . . A 634 LYS CE . 18694 1 581 . 1 1 49 49 LYS N N 15 123.870 0.082 . 1 . . . A 634 LYS N . 18694 1 582 . 1 1 50 50 VAL H H 1 8.165 0.013 . 1 . . . A 635 VAL H . 18694 1 583 . 1 1 50 50 VAL HA H 1 3.676 0.016 . 1 . . . A 635 VAL HA . 18694 1 584 . 1 1 50 50 VAL HB H 1 1.879 0.016 . 1 . . . A 635 VAL HB . 18694 1 585 . 1 1 50 50 VAL HG11 H 1 0.798 0.012 . 2 . . . A 635 VAL HG11 . 18694 1 586 . 1 1 50 50 VAL HG12 H 1 0.798 0.012 . 2 . . . A 635 VAL HG12 . 18694 1 587 . 1 1 50 50 VAL HG13 H 1 0.798 0.012 . 2 . . . A 635 VAL HG13 . 18694 1 588 . 1 1 50 50 VAL HG21 H 1 0.525 0.012 . 2 . . . A 635 VAL HG21 . 18694 1 589 . 1 1 50 50 VAL HG22 H 1 0.525 0.012 . 2 . . . A 635 VAL HG22 . 18694 1 590 . 1 1 50 50 VAL HG23 H 1 0.525 0.012 . 2 . . . A 635 VAL HG23 . 18694 1 591 . 1 1 50 50 VAL C C 13 178.574 0.000 . 1 . . . A 635 VAL C . 18694 1 592 . 1 1 50 50 VAL CA C 13 66.100 0.082 . 1 . . . A 635 VAL CA . 18694 1 593 . 1 1 50 50 VAL CB C 13 31.611 0.179 . 1 . . . A 635 VAL CB . 18694 1 594 . 1 1 50 50 VAL CG1 C 13 22.149 0.109 . 2 . . . A 635 VAL CG1 . 18694 1 595 . 1 1 50 50 VAL CG2 C 13 22.063 0.041 . 2 . . . A 635 VAL CG2 . 18694 1 596 . 1 1 50 50 VAL N N 15 119.215 0.053 . 1 . . . A 635 VAL N . 18694 1 597 . 1 1 51 51 GLU H H 1 8.331 0.016 . 1 . . . A 636 GLU H . 18694 1 598 . 1 1 51 51 GLU HA H 1 3.862 0.006 . 1 . . . A 636 GLU HA . 18694 1 599 . 1 1 51 51 GLU HB2 H 1 1.573 0.000 . 2 . . . A 636 GLU HB2 . 18694 1 600 . 1 1 51 51 GLU HB3 H 1 1.576 0.001 . 2 . . . A 636 GLU HB3 . 18694 1 601 . 1 1 51 51 GLU HG2 H 1 2.315 0.000 . 2 . . . A 636 GLU HG2 . 18694 1 602 . 1 1 51 51 GLU HG3 H 1 2.322 0.011 . 2 . . . A 636 GLU HG3 . 18694 1 603 . 1 1 51 51 GLU C C 13 178.666 0.000 . 1 . . . A 636 GLU C . 18694 1 604 . 1 1 51 51 GLU CA C 13 61.689 0.104 . 1 . . . A 636 GLU CA . 18694 1 605 . 1 1 51 51 GLU CB C 13 28.719 0.125 . 1 . . . A 636 GLU CB . 18694 1 606 . 1 1 51 51 GLU CG C 13 35.411 0.086 . 1 . . . A 636 GLU CG . 18694 1 607 . 1 1 51 51 GLU N N 15 120.094 0.054 . 1 . . . A 636 GLU N . 18694 1 608 . 1 1 52 52 GLY H H 1 8.145 0.015 . 1 . . . A 637 GLY H . 18694 1 609 . 1 1 52 52 GLY HA2 H 1 3.597 0.016 . 2 . . . A 637 GLY HA2 . 18694 1 610 . 1 1 52 52 GLY HA3 H 1 3.880 0.014 . 2 . . . A 637 GLY HA3 . 18694 1 611 . 1 1 52 52 GLY C C 13 176.614 0.000 . 1 . . . A 637 GLY C . 18694 1 612 . 1 1 52 52 GLY CA C 13 47.337 0.140 . 1 . . . A 637 GLY CA . 18694 1 613 . 1 1 52 52 GLY N N 15 106.839 0.080 . 1 . . . A 637 GLY N . 18694 1 614 . 1 1 53 53 ASP H H 1 8.338 0.015 . 1 . . . A 638 ASP H . 18694 1 615 . 1 1 53 53 ASP HA H 1 4.543 0.011 . 1 . . . A 638 ASP HA . 18694 1 616 . 1 1 53 53 ASP HB2 H 1 2.747 0.015 . 2 . . . A 638 ASP HB2 . 18694 1 617 . 1 1 53 53 ASP HB3 H 1 2.954 0.012 . 2 . . . A 638 ASP HB3 . 18694 1 618 . 1 1 53 53 ASP C C 13 180.109 0.005 . 1 . . . A 638 ASP C . 18694 1 619 . 1 1 53 53 ASP CA C 13 56.894 0.069 . 1 . . . A 638 ASP CA . 18694 1 620 . 1 1 53 53 ASP CB C 13 40.088 0.124 . 1 . . . A 638 ASP CB . 18694 1 621 . 1 1 53 53 ASP N N 15 122.731 0.060 . 1 . . . A 638 ASP N . 18694 1 622 . 1 1 54 54 MET H H 1 8.193 0.006 . 1 . . . A 639 MET H . 18694 1 623 . 1 1 54 54 MET HA H 1 4.389 0.022 . 1 . . . A 639 MET HA . 18694 1 624 . 1 1 54 54 MET HB2 H 1 2.469 0.010 . 2 . . . A 639 MET HB2 . 18694 1 625 . 1 1 54 54 MET HB3 H 1 2.143 0.021 . 2 . . . A 639 MET HB3 . 18694 1 626 . 1 1 54 54 MET HG2 H 1 2.724 0.017 . 2 . . . A 639 MET HG2 . 18694 1 627 . 1 1 54 54 MET HG3 H 1 2.892 0.020 . 2 . . . A 639 MET HG3 . 18694 1 628 . 1 1 54 54 MET HE1 H 1 1.998 0.014 . 1 . . . A 639 MET HE1 . 18694 1 629 . 1 1 54 54 MET HE2 H 1 1.998 0.014 . 1 . . . A 639 MET HE2 . 18694 1 630 . 1 1 54 54 MET HE3 H 1 1.998 0.014 . 1 . . . A 639 MET HE3 . 18694 1 631 . 1 1 54 54 MET C C 13 177.737 0.000 . 1 . . . A 639 MET C . 18694 1 632 . 1 1 54 54 MET CA C 13 58.675 0.069 . 1 . . . A 639 MET CA . 18694 1 633 . 1 1 54 54 MET CB C 13 32.530 0.000 . 1 . . . A 639 MET CB . 18694 1 634 . 1 1 54 54 MET CG C 13 33.093 0.057 . 1 . . . A 639 MET CG . 18694 1 635 . 1 1 54 54 MET CE C 13 19.350 0.020 . 1 . . . A 639 MET CE . 18694 1 636 . 1 1 54 54 MET N N 15 121.055 0.035 . 1 . . . A 639 MET N . 18694 1 637 . 1 1 55 55 TYR H H 1 9.328 0.012 . 1 . . . A 640 TYR H . 18694 1 638 . 1 1 55 55 TYR HA H 1 4.298 0.017 . 1 . . . A 640 TYR HA . 18694 1 639 . 1 1 55 55 TYR HB2 H 1 3.538 0.012 . 2 . . . A 640 TYR HB2 . 18694 1 640 . 1 1 55 55 TYR HB3 H 1 3.087 0.022 . 2 . . . A 640 TYR HB3 . 18694 1 641 . 1 1 55 55 TYR HD1 H 1 6.512 0.013 . 3 . . . A 640 TYR HD1 . 18694 1 642 . 1 1 55 55 TYR HD2 H 1 6.512 0.013 . 3 . . . A 640 TYR HD2 . 18694 1 643 . 1 1 55 55 TYR HE1 H 1 5.957 0.011 . 3 . . . A 640 TYR HE1 . 18694 1 644 . 1 1 55 55 TYR HE2 H 1 5.957 0.011 . 3 . . . A 640 TYR HE2 . 18694 1 645 . 1 1 55 55 TYR C C 13 178.311 0.000 . 1 . . . A 640 TYR C . 18694 1 646 . 1 1 55 55 TYR CA C 13 61.907 0.094 . 1 . . . A 640 TYR CA . 18694 1 647 . 1 1 55 55 TYR CB C 13 38.950 0.075 . 1 . . . A 640 TYR CB . 18694 1 648 . 1 1 55 55 TYR CD1 C 13 132.599 0.060 . 3 . . . A 640 TYR CD1 . 18694 1 649 . 1 1 55 55 TYR CD2 C 13 132.599 0.060 . 3 . . . A 640 TYR CD2 . 18694 1 650 . 1 1 55 55 TYR CE1 C 13 117.039 0.063 . 3 . . . A 640 TYR CE1 . 18694 1 651 . 1 1 55 55 TYR CE2 C 13 117.039 0.063 . 3 . . . A 640 TYR CE2 . 18694 1 652 . 1 1 55 55 TYR N N 15 121.235 0.080 . 1 . . . A 640 TYR N . 18694 1 653 . 1 1 56 56 GLU H H 1 8.079 0.011 . 1 . . . A 641 GLU H . 18694 1 654 . 1 1 56 56 GLU HA H 1 4.366 0.016 . 1 . . . A 641 GLU HA . 18694 1 655 . 1 1 56 56 GLU HB2 H 1 2.150 0.013 . 2 . . . A 641 GLU HB2 . 18694 1 656 . 1 1 56 56 GLU HB3 H 1 2.239 0.003 . 2 . . . A 641 GLU HB3 . 18694 1 657 . 1 1 56 56 GLU HG2 H 1 2.568 0.012 . 2 . . . A 641 GLU HG2 . 18694 1 658 . 1 1 56 56 GLU HG3 H 1 2.636 0.011 . 2 . . . A 641 GLU HG3 . 18694 1 659 . 1 1 56 56 GLU C C 13 178.006 0.000 . 1 . . . A 641 GLU C . 18694 1 660 . 1 1 56 56 GLU CA C 13 57.446 0.026 . 1 . . . A 641 GLU CA . 18694 1 661 . 1 1 56 56 GLU CB C 13 29.702 0.027 . 1 . . . A 641 GLU CB . 18694 1 662 . 1 1 56 56 GLU CG C 13 35.237 0.058 . 1 . . . A 641 GLU CG . 18694 1 663 . 1 1 56 56 GLU N N 15 115.098 0.081 . 1 . . . A 641 GLU N . 18694 1 664 . 1 1 57 57 SER H H 1 7.968 0.005 . 1 . . . A 642 SER H . 18694 1 665 . 1 1 57 57 SER HA H 1 4.394 0.008 . 1 . . . A 642 SER HA . 18694 1 666 . 1 1 57 57 SER HB2 H 1 3.923 0.011 . 1 . . . A 642 SER HB2 . 18694 1 667 . 1 1 57 57 SER HB3 H 1 3.923 0.011 . 1 . . . A 642 SER HB3 . 18694 1 668 . 1 1 57 57 SER C C 13 175.251 0.000 . 1 . . . A 642 SER C . 18694 1 669 . 1 1 57 57 SER CA C 13 60.175 0.023 . 1 . . . A 642 SER CA . 18694 1 670 . 1 1 57 57 SER CB C 13 64.388 0.182 . 1 . . . A 642 SER CB . 18694 1 671 . 1 1 57 57 SER N N 15 112.869 0.067 . 1 . . . A 642 SER N . 18694 1 672 . 1 1 58 58 ALA H H 1 8.096 0.017 . 1 . . . A 643 ALA H . 18694 1 673 . 1 1 58 58 ALA HA H 1 4.227 0.023 . 1 . . . A 643 ALA HA . 18694 1 674 . 1 1 58 58 ALA HB1 H 1 1.584 0.019 . 1 . . . A 643 ALA HB1 . 18694 1 675 . 1 1 58 58 ALA HB2 H 1 1.584 0.019 . 1 . . . A 643 ALA HB2 . 18694 1 676 . 1 1 58 58 ALA HB3 H 1 1.584 0.019 . 1 . . . A 643 ALA HB3 . 18694 1 677 . 1 1 58 58 ALA C C 13 177.897 0.000 . 1 . . . A 643 ALA C . 18694 1 678 . 1 1 58 58 ALA CA C 13 52.599 0.082 . 1 . . . A 643 ALA CA . 18694 1 679 . 1 1 58 58 ALA CB C 13 19.692 0.061 . 1 . . . A 643 ALA CB . 18694 1 680 . 1 1 58 58 ALA N N 15 123.763 0.106 . 1 . . . A 643 ALA N . 18694 1 681 . 1 1 59 59 ASN H H 1 9.102 0.013 . 1 . . . A 644 ASN H . 18694 1 682 . 1 1 59 59 ASN HA H 1 5.110 0.014 . 1 . . . A 644 ASN HA . 18694 1 683 . 1 1 59 59 ASN HB2 H 1 2.748 0.012 . 2 . . . A 644 ASN HB2 . 18694 1 684 . 1 1 59 59 ASN HB3 H 1 2.932 0.023 . 2 . . . A 644 ASN HB3 . 18694 1 685 . 1 1 59 59 ASN HD21 H 1 8.013 0.020 . 1 . . . A 644 ASN HD21 . 18694 1 686 . 1 1 59 59 ASN HD22 H 1 7.003 0.009 . 1 . . . A 644 ASN HD22 . 18694 1 687 . 1 1 59 59 ASN C C 13 173.978 0.000 . 1 . . . A 644 ASN C . 18694 1 688 . 1 1 59 59 ASN CA C 13 53.354 0.082 . 1 . . . A 644 ASN CA . 18694 1 689 . 1 1 59 59 ASN CB C 13 40.219 0.084 . 1 . . . A 644 ASN CB . 18694 1 690 . 1 1 59 59 ASN N N 15 117.176 0.090 . 1 . . . A 644 ASN N . 18694 1 691 . 1 1 59 59 ASN ND2 N 15 115.923 0.112 . 1 . . . A 644 ASN ND2 . 18694 1 692 . 1 1 60 60 SER H H 1 6.865 0.012 . 1 . . . A 645 SER H . 18694 1 693 . 1 1 60 60 SER HA H 1 3.632 0.016 . 1 . . . A 645 SER HA . 18694 1 694 . 1 1 60 60 SER HB2 H 1 3.888 0.010 . 1 . . . A 645 SER HB2 . 18694 1 695 . 1 1 60 60 SER HB3 H 1 3.888 0.010 . 1 . . . A 645 SER HB3 . 18694 1 696 . 1 1 60 60 SER C C 13 171.965 0.000 . 1 . . . A 645 SER C . 18694 1 697 . 1 1 60 60 SER CA C 13 56.522 0.076 . 1 . . . A 645 SER CA . 18694 1 698 . 1 1 60 60 SER CB C 13 64.968 0.172 . 1 . . . A 645 SER CB . 18694 1 699 . 1 1 60 60 SER N N 15 111.225 0.082 . 1 . . . A 645 SER N . 18694 1 700 . 1 1 61 61 ARG H H 1 8.685 0.012 . 1 . . . A 646 ARG H . 18694 1 701 . 1 1 61 61 ARG HA H 1 3.186 0.013 . 1 . . . A 646 ARG HA . 18694 1 702 . 1 1 61 61 ARG HB2 H 1 1.901 0.016 . 2 . . . A 646 ARG HB2 . 18694 1 703 . 1 1 61 61 ARG HB3 H 1 1.864 0.012 . 2 . . . A 646 ARG HB3 . 18694 1 704 . 1 1 61 61 ARG HG2 H 1 1.665 0.011 . 2 . . . A 646 ARG HG2 . 18694 1 705 . 1 1 61 61 ARG HG3 H 1 1.560 0.015 . 2 . . . A 646 ARG HG3 . 18694 1 706 . 1 1 61 61 ARG HD2 H 1 3.364 0.020 . 2 . . . A 646 ARG HD2 . 18694 1 707 . 1 1 61 61 ARG HD3 H 1 3.230 0.024 . 2 . . . A 646 ARG HD3 . 18694 1 708 . 1 1 61 61 ARG C C 13 177.709 0.000 . 1 . . . A 646 ARG C . 18694 1 709 . 1 1 61 61 ARG CA C 13 59.031 0.087 . 1 . . . A 646 ARG CA . 18694 1 710 . 1 1 61 61 ARG CB C 13 30.253 0.122 . 1 . . . A 646 ARG CB . 18694 1 711 . 1 1 61 61 ARG CG C 13 27.214 0.082 . 1 . . . A 646 ARG CG . 18694 1 712 . 1 1 61 61 ARG CD C 13 43.838 0.041 . 1 . . . A 646 ARG CD . 18694 1 713 . 1 1 61 61 ARG N N 15 121.944 0.074 . 1 . . . A 646 ARG N . 18694 1 714 . 1 1 62 62 ASP H H 1 8.119 0.008 . 1 . . . A 647 ASP H . 18694 1 715 . 1 1 62 62 ASP HA H 1 4.295 0.015 . 1 . . . A 647 ASP HA . 18694 1 716 . 1 1 62 62 ASP HB2 H 1 2.479 0.012 . 1 . . . A 647 ASP HB2 . 18694 1 717 . 1 1 62 62 ASP HB3 H 1 2.479 0.012 . 1 . . . A 647 ASP HB3 . 18694 1 718 . 1 1 62 62 ASP C C 13 178.860 0.000 . 1 . . . A 647 ASP C . 18694 1 719 . 1 1 62 62 ASP CA C 13 57.125 0.060 . 1 . . . A 647 ASP CA . 18694 1 720 . 1 1 62 62 ASP CB C 13 40.289 0.082 . 1 . . . A 647 ASP CB . 18694 1 721 . 1 1 62 62 ASP N N 15 116.817 0.048 . 1 . . . A 647 ASP N . 18694 1 722 . 1 1 63 63 GLU H H 1 7.799 0.011 . 1 . . . A 648 GLU H . 18694 1 723 . 1 1 63 63 GLU HA H 1 3.990 0.022 . 1 . . . A 648 GLU HA . 18694 1 724 . 1 1 63 63 GLU HB2 H 1 1.891 0.023 . 1 . . . A 648 GLU HB2 . 18694 1 725 . 1 1 63 63 GLU HB3 H 1 1.891 0.023 . 1 . . . A 648 GLU HB3 . 18694 1 726 . 1 1 63 63 GLU HG2 H 1 2.353 0.006 . 2 . . . A 648 GLU HG2 . 18694 1 727 . 1 1 63 63 GLU HG3 H 1 2.214 0.021 . 2 . . . A 648 GLU HG3 . 18694 1 728 . 1 1 63 63 GLU C C 13 177.064 0.000 . 1 . . . A 648 GLU C . 18694 1 729 . 1 1 63 63 GLU CA C 13 59.262 0.067 . 1 . . . A 648 GLU CA . 18694 1 730 . 1 1 63 63 GLU CB C 13 30.138 0.180 . 1 . . . A 648 GLU CB . 18694 1 731 . 1 1 63 63 GLU CG C 13 36.447 0.078 . 1 . . . A 648 GLU CG . 18694 1 732 . 1 1 63 63 GLU N N 15 121.231 0.083 . 1 . . . A 648 GLU N . 18694 1 733 . 1 1 64 64 TYR H H 1 7.338 0.012 . 1 . . . A 649 TYR H . 18694 1 734 . 1 1 64 64 TYR HA H 1 3.999 0.009 . 1 . . . A 649 TYR HA . 18694 1 735 . 1 1 64 64 TYR HB2 H 1 2.894 0.015 . 2 . . . A 649 TYR HB2 . 18694 1 736 . 1 1 64 64 TYR HB3 H 1 2.645 0.011 . 2 . . . A 649 TYR HB3 . 18694 1 737 . 1 1 64 64 TYR HD1 H 1 6.821 0.015 . 3 . . . A 649 TYR HD1 . 18694 1 738 . 1 1 64 64 TYR HD2 H 1 6.821 0.015 . 3 . . . A 649 TYR HD2 . 18694 1 739 . 1 1 64 64 TYR HE1 H 1 6.832 0.020 . 3 . . . A 649 TYR HE1 . 18694 1 740 . 1 1 64 64 TYR HE2 H 1 6.832 0.020 . 3 . . . A 649 TYR HE2 . 18694 1 741 . 1 1 64 64 TYR C C 13 176.140 0.000 . 1 . . . A 649 TYR C . 18694 1 742 . 1 1 64 64 TYR CA C 13 60.669 0.161 . 1 . . . A 649 TYR CA . 18694 1 743 . 1 1 64 64 TYR CB C 13 38.957 0.129 . 1 . . . A 649 TYR CB . 18694 1 744 . 1 1 64 64 TYR CD1 C 13 133.188 0.063 . 3 . . . A 649 TYR CD1 . 18694 1 745 . 1 1 64 64 TYR CD2 C 13 133.188 0.063 . 3 . . . A 649 TYR CD2 . 18694 1 746 . 1 1 64 64 TYR CE1 C 13 118.222 0.080 . 3 . . . A 649 TYR CE1 . 18694 1 747 . 1 1 64 64 TYR CE2 C 13 118.222 0.080 . 3 . . . A 649 TYR CE2 . 18694 1 748 . 1 1 64 64 TYR N N 15 122.045 0.033 . 1 . . . A 649 TYR N . 18694 1 749 . 1 1 65 65 TYR H H 1 8.072 0.013 . 1 . . . A 650 TYR H . 18694 1 750 . 1 1 65 65 TYR HA H 1 3.999 0.009 . 1 . . . A 650 TYR HA . 18694 1 751 . 1 1 65 65 TYR HB2 H 1 3.072 0.024 . 2 . . . A 650 TYR HB2 . 18694 1 752 . 1 1 65 65 TYR HB3 H 1 3.005 0.016 . 2 . . . A 650 TYR HB3 . 18694 1 753 . 1 1 65 65 TYR HD1 H 1 7.092 0.011 . 3 . . . A 650 TYR HD1 . 18694 1 754 . 1 1 65 65 TYR HD2 H 1 7.092 0.011 . 3 . . . A 650 TYR HD2 . 18694 1 755 . 1 1 65 65 TYR HE1 H 1 6.829 0.011 . 3 . . . A 650 TYR HE1 . 18694 1 756 . 1 1 65 65 TYR HE2 H 1 6.829 0.011 . 3 . . . A 650 TYR HE2 . 18694 1 757 . 1 1 65 65 TYR C C 13 179.058 0.000 . 1 . . . A 650 TYR C . 18694 1 758 . 1 1 65 65 TYR CA C 13 60.493 0.092 . 1 . . . A 650 TYR CA . 18694 1 759 . 1 1 65 65 TYR CB C 13 37.642 0.102 . 1 . . . A 650 TYR CB . 18694 1 760 . 1 1 65 65 TYR CD1 C 13 132.118 0.036 . 3 . . . A 650 TYR CD1 . 18694 1 761 . 1 1 65 65 TYR CD2 C 13 132.118 0.036 . 3 . . . A 650 TYR CD2 . 18694 1 762 . 1 1 65 65 TYR CE1 C 13 118.105 0.071 . 3 . . . A 650 TYR CE1 . 18694 1 763 . 1 1 65 65 TYR CE2 C 13 118.105 0.071 . 3 . . . A 650 TYR CE2 . 18694 1 764 . 1 1 65 65 TYR N N 15 115.581 0.110 . 1 . . . A 650 TYR N . 18694 1 765 . 1 1 66 66 HIS H H 1 8.311 0.013 . 1 . . . A 651 HIS H . 18694 1 766 . 1 1 66 66 HIS HA H 1 4.313 0.018 . 1 . . . A 651 HIS HA . 18694 1 767 . 1 1 66 66 HIS HB2 H 1 3.341 0.000 . 2 . . . A 651 HIS HB2 . 18694 1 768 . 1 1 66 66 HIS HB3 H 1 3.364 0.012 . 2 . . . A 651 HIS HB3 . 18694 1 769 . 1 1 66 66 HIS HD2 H 1 7.220 0.001 . 1 . . . A 651 HIS HD2 . 18694 1 770 . 1 1 66 66 HIS CA C 13 59.303 0.068 . 1 . . . A 651 HIS CA . 18694 1 771 . 1 1 66 66 HIS CB C 13 28.256 0.118 . 1 . . . A 651 HIS CB . 18694 1 772 . 1 1 66 66 HIS CD2 C 13 120.040 0.052 . 1 . . . A 651 HIS CD2 . 18694 1 773 . 1 1 66 66 HIS N N 15 118.435 0.105 . 1 . . . A 651 HIS N . 18694 1 774 . 1 1 67 67 LEU H H 1 9.141 0.014 . 1 . . . A 652 LEU H . 18694 1 775 . 1 1 67 67 LEU HA H 1 3.993 0.011 . 1 . . . A 652 LEU HA . 18694 1 776 . 1 1 67 67 LEU HB2 H 1 2.072 0.020 . 2 . . . A 652 LEU HB2 . 18694 1 777 . 1 1 67 67 LEU HB3 H 1 2.043 0.000 . 2 . . . A 652 LEU HB3 . 18694 1 778 . 1 1 67 67 LEU HG H 1 1.646 0.017 . 1 . . . A 652 LEU HG . 18694 1 779 . 1 1 67 67 LEU HD11 H 1 1.000 0.021 . 2 . . . A 652 LEU HD11 . 18694 1 780 . 1 1 67 67 LEU HD12 H 1 1.000 0.021 . 2 . . . A 652 LEU HD12 . 18694 1 781 . 1 1 67 67 LEU HD13 H 1 1.000 0.021 . 2 . . . A 652 LEU HD13 . 18694 1 782 . 1 1 67 67 LEU HD21 H 1 0.956 0.012 . 2 . . . A 652 LEU HD21 . 18694 1 783 . 1 1 67 67 LEU HD22 H 1 0.956 0.012 . 2 . . . A 652 LEU HD22 . 18694 1 784 . 1 1 67 67 LEU HD23 H 1 0.956 0.012 . 2 . . . A 652 LEU HD23 . 18694 1 785 . 1 1 67 67 LEU C C 13 180.822 0.001 . 1 . . . A 652 LEU C . 18694 1 786 . 1 1 67 67 LEU CA C 13 57.893 0.127 . 1 . . . A 652 LEU CA . 18694 1 787 . 1 1 67 67 LEU CB C 13 42.037 0.070 . 1 . . . A 652 LEU CB . 18694 1 788 . 1 1 67 67 LEU CD1 C 13 26.027 0.044 . 2 . . . A 652 LEU CD1 . 18694 1 789 . 1 1 67 67 LEU CD2 C 13 22.199 0.047 . 2 . . . A 652 LEU CD2 . 18694 1 790 . 1 1 67 67 LEU N N 15 121.135 0.071 . 1 . . . A 652 LEU N . 18694 1 791 . 1 1 68 68 LEU H H 1 7.769 0.015 . 1 . . . A 653 LEU H . 18694 1 792 . 1 1 68 68 LEU HA H 1 3.833 0.010 . 1 . . . A 653 LEU HA . 18694 1 793 . 1 1 68 68 LEU HB2 H 1 1.336 0.013 . 2 . . . A 653 LEU HB2 . 18694 1 794 . 1 1 68 68 LEU HB3 H 1 1.720 0.018 . 2 . . . A 653 LEU HB3 . 18694 1 795 . 1 1 68 68 LEU HG H 1 1.593 0.028 . 1 . . . A 653 LEU HG . 18694 1 796 . 1 1 68 68 LEU HD11 H 1 0.540 0.012 . 2 . . . A 653 LEU HD11 . 18694 1 797 . 1 1 68 68 LEU HD12 H 1 0.540 0.012 . 2 . . . A 653 LEU HD12 . 18694 1 798 . 1 1 68 68 LEU HD13 H 1 0.540 0.012 . 2 . . . A 653 LEU HD13 . 18694 1 799 . 1 1 68 68 LEU HD21 H 1 0.753 0.011 . 2 . . . A 653 LEU HD21 . 18694 1 800 . 1 1 68 68 LEU HD22 H 1 0.753 0.011 . 2 . . . A 653 LEU HD22 . 18694 1 801 . 1 1 68 68 LEU HD23 H 1 0.753 0.011 . 2 . . . A 653 LEU HD23 . 18694 1 802 . 1 1 68 68 LEU C C 13 178.085 0.001 . 1 . . . A 653 LEU C . 18694 1 803 . 1 1 68 68 LEU CA C 13 58.338 0.236 . 1 . . . A 653 LEU CA . 18694 1 804 . 1 1 68 68 LEU CB C 13 41.886 0.068 . 1 . . . A 653 LEU CB . 18694 1 805 . 1 1 68 68 LEU CG C 13 27.210 0.040 . 1 . . . A 653 LEU CG . 18694 1 806 . 1 1 68 68 LEU CD1 C 13 25.809 0.042 . 2 . . . A 653 LEU CD1 . 18694 1 807 . 1 1 68 68 LEU CD2 C 13 24.926 0.048 . 2 . . . A 653 LEU CD2 . 18694 1 808 . 1 1 68 68 LEU N N 15 120.947 0.030 . 1 . . . A 653 LEU N . 18694 1 809 . 1 1 69 69 ALA H H 1 8.111 0.014 . 1 . . . A 654 ALA H . 18694 1 810 . 1 1 69 69 ALA HA H 1 3.884 0.024 . 1 . . . A 654 ALA HA . 18694 1 811 . 1 1 69 69 ALA HB1 H 1 1.450 0.023 . 1 . . . A 654 ALA HB1 . 18694 1 812 . 1 1 69 69 ALA HB2 H 1 1.450 0.023 . 1 . . . A 654 ALA HB2 . 18694 1 813 . 1 1 69 69 ALA HB3 H 1 1.450 0.023 . 1 . . . A 654 ALA HB3 . 18694 1 814 . 1 1 69 69 ALA C C 13 180.274 0.000 . 1 . . . A 654 ALA C . 18694 1 815 . 1 1 69 69 ALA CA C 13 55.356 0.086 . 1 . . . A 654 ALA CA . 18694 1 816 . 1 1 69 69 ALA CB C 13 18.190 0.080 . 1 . . . A 654 ALA CB . 18694 1 817 . 1 1 69 69 ALA N N 15 120.863 0.065 . 1 . . . A 654 ALA N . 18694 1 818 . 1 1 70 70 GLU H H 1 8.363 0.010 . 1 . . . A 655 GLU H . 18694 1 819 . 1 1 70 70 GLU HA H 1 4.018 0.024 . 1 . . . A 655 GLU HA . 18694 1 820 . 1 1 70 70 GLU HB2 H 1 2.064 0.003 . 2 . . . A 655 GLU HB2 . 18694 1 821 . 1 1 70 70 GLU HB3 H 1 2.007 0.017 . 2 . . . A 655 GLU HB3 . 18694 1 822 . 1 1 70 70 GLU HG2 H 1 2.303 0.010 . 2 . . . A 655 GLU HG2 . 18694 1 823 . 1 1 70 70 GLU HG3 H 1 2.186 0.009 . 2 . . . A 655 GLU HG3 . 18694 1 824 . 1 1 70 70 GLU C C 13 178.311 0.000 . 1 . . . A 655 GLU C . 18694 1 825 . 1 1 70 70 GLU CA C 13 59.079 0.123 . 1 . . . A 655 GLU CA . 18694 1 826 . 1 1 70 70 GLU CB C 13 29.414 0.123 . 1 . . . A 655 GLU CB . 18694 1 827 . 1 1 70 70 GLU CG C 13 35.832 0.103 . 1 . . . A 655 GLU CG . 18694 1 828 . 1 1 70 70 GLU N N 15 118.047 0.101 . 1 . . . A 655 GLU N . 18694 1 829 . 1 1 71 71 LYS H H 1 7.852 0.010 . 1 . . . A 656 LYS H . 18694 1 830 . 1 1 71 71 LYS HA H 1 4.050 0.017 . 1 . . . A 656 LYS HA . 18694 1 831 . 1 1 71 71 LYS C C 13 178.388 0.000 . 1 . . . A 656 LYS C . 18694 1 832 . 1 1 71 71 LYS CA C 13 58.129 0.116 . 1 . . . A 656 LYS CA . 18694 1 833 . 1 1 71 71 LYS CB C 13 31.410 0.050 . 1 . . . A 656 LYS CB . 18694 1 834 . 1 1 71 71 LYS N N 15 120.122 0.073 . 1 . . . A 656 LYS N . 18694 1 835 . 1 1 72 72 ILE H H 1 8.199 0.008 . 1 . . . A 657 ILE H . 18694 1 836 . 1 1 72 72 ILE HA H 1 3.391 0.013 . 1 . . . A 657 ILE HA . 18694 1 837 . 1 1 72 72 ILE HB H 1 1.894 0.020 . 1 . . . A 657 ILE HB . 18694 1 838 . 1 1 72 72 ILE HG21 H 1 0.808 0.012 . 1 . . . A 657 ILE HG21 . 18694 1 839 . 1 1 72 72 ILE HG22 H 1 0.808 0.012 . 1 . . . A 657 ILE HG22 . 18694 1 840 . 1 1 72 72 ILE HG23 H 1 0.808 0.012 . 1 . . . A 657 ILE HG23 . 18694 1 841 . 1 1 72 72 ILE HD11 H 1 0.722 0.005 . 1 . . . A 657 ILE HD11 . 18694 1 842 . 1 1 72 72 ILE HD12 H 1 0.722 0.005 . 1 . . . A 657 ILE HD12 . 18694 1 843 . 1 1 72 72 ILE HD13 H 1 0.722 0.005 . 1 . . . A 657 ILE HD13 . 18694 1 844 . 1 1 72 72 ILE C C 13 177.061 0.000 . 1 . . . A 657 ILE C . 18694 1 845 . 1 1 72 72 ILE CA C 13 66.526 0.068 . 1 . . . A 657 ILE CA . 18694 1 846 . 1 1 72 72 ILE CB C 13 37.900 0.054 . 1 . . . A 657 ILE CB . 18694 1 847 . 1 1 72 72 ILE CG1 C 13 31.101 0.000 . 1 . . . A 657 ILE CG1 . 18694 1 848 . 1 1 72 72 ILE CG2 C 13 17.139 0.053 . 1 . . . A 657 ILE CG2 . 18694 1 849 . 1 1 72 72 ILE CD1 C 13 13.396 0.028 . 1 . . . A 657 ILE CD1 . 18694 1 850 . 1 1 72 72 ILE N N 15 118.294 0.041 . 1 . . . A 657 ILE N . 18694 1 851 . 1 1 73 73 TYR H H 1 8.066 0.013 . 1 . . . A 658 TYR H . 18694 1 852 . 1 1 73 73 TYR HA H 1 4.303 0.012 . 1 . . . A 658 TYR HA . 18694 1 853 . 1 1 73 73 TYR HB2 H 1 3.145 0.005 . 2 . . . A 658 TYR HB2 . 18694 1 854 . 1 1 73 73 TYR HB3 H 1 3.154 0.024 . 2 . . . A 658 TYR HB3 . 18694 1 855 . 1 1 73 73 TYR HD1 H 1 7.103 0.007 . 3 . . . A 658 TYR HD1 . 18694 1 856 . 1 1 73 73 TYR HD2 H 1 7.103 0.007 . 3 . . . A 658 TYR HD2 . 18694 1 857 . 1 1 73 73 TYR HE1 H 1 6.798 0.015 . 3 . . . A 658 TYR HE1 . 18694 1 858 . 1 1 73 73 TYR HE2 H 1 6.798 0.015 . 3 . . . A 658 TYR HE2 . 18694 1 859 . 1 1 73 73 TYR C C 13 177.869 0.000 . 1 . . . A 658 TYR C . 18694 1 860 . 1 1 73 73 TYR CA C 13 60.869 0.153 . 1 . . . A 658 TYR CA . 18694 1 861 . 1 1 73 73 TYR CB C 13 38.205 0.022 . 1 . . . A 658 TYR CB . 18694 1 862 . 1 1 73 73 TYR CD1 C 13 133.322 0.059 . 3 . . . A 658 TYR CD1 . 18694 1 863 . 1 1 73 73 TYR CD2 C 13 133.322 0.059 . 3 . . . A 658 TYR CD2 . 18694 1 864 . 1 1 73 73 TYR CE1 C 13 118.083 0.051 . 3 . . . A 658 TYR CE1 . 18694 1 865 . 1 1 73 73 TYR CE2 C 13 118.083 0.051 . 3 . . . A 658 TYR CE2 . 18694 1 866 . 1 1 73 73 TYR N N 15 119.430 0.132 . 1 . . . A 658 TYR N . 18694 1 867 . 1 1 74 74 LYS H H 1 8.309 0.009 . 1 . . . A 659 LYS H . 18694 1 868 . 1 1 74 74 LYS HA H 1 3.814 0.009 . 1 . . . A 659 LYS HA . 18694 1 869 . 1 1 74 74 LYS HD2 H 1 1.731 0.018 . 2 . . . A 659 LYS HD2 . 18694 1 870 . 1 1 74 74 LYS HD3 H 1 1.930 0.023 . 2 . . . A 659 LYS HD3 . 18694 1 871 . 1 1 74 74 LYS HE2 H 1 2.902 0.000 . 2 . . . A 659 LYS HE2 . 18694 1 872 . 1 1 74 74 LYS HE3 H 1 2.982 0.050 . 2 . . . A 659 LYS HE3 . 18694 1 873 . 1 1 74 74 LYS C C 13 180.019 0.000 . 1 . . . A 659 LYS C . 18694 1 874 . 1 1 74 74 LYS CA C 13 59.860 0.093 . 1 . . . A 659 LYS CA . 18694 1 875 . 1 1 74 74 LYS CB C 13 32.691 0.000 . 1 . . . A 659 LYS CB . 18694 1 876 . 1 1 74 74 LYS CD C 13 29.480 0.100 . 1 . . . A 659 LYS CD . 18694 1 877 . 1 1 74 74 LYS N N 15 118.321 0.059 . 1 . . . A 659 LYS N . 18694 1 878 . 1 1 75 75 ILE H H 1 8.546 0.018 . 1 . . . A 660 ILE H . 18694 1 879 . 1 1 75 75 ILE HA H 1 3.586 0.017 . 1 . . . A 660 ILE HA . 18694 1 880 . 1 1 75 75 ILE HB H 1 1.954 0.016 . 1 . . . A 660 ILE HB . 18694 1 881 . 1 1 75 75 ILE HG12 H 1 1.486 0.000 . 1 . . . A 660 ILE HG12 . 18694 1 882 . 1 1 75 75 ILE HG13 H 1 1.486 0.000 . 1 . . . A 660 ILE HG13 . 18694 1 883 . 1 1 75 75 ILE HG21 H 1 0.891 0.023 . 1 . . . A 660 ILE HG21 . 18694 1 884 . 1 1 75 75 ILE HG22 H 1 0.891 0.023 . 1 . . . A 660 ILE HG22 . 18694 1 885 . 1 1 75 75 ILE HG23 H 1 0.891 0.023 . 1 . . . A 660 ILE HG23 . 18694 1 886 . 1 1 75 75 ILE HD11 H 1 0.917 0.017 . 1 . . . A 660 ILE HD11 . 18694 1 887 . 1 1 75 75 ILE HD12 H 1 0.917 0.017 . 1 . . . A 660 ILE HD12 . 18694 1 888 . 1 1 75 75 ILE HD13 H 1 0.917 0.017 . 1 . . . A 660 ILE HD13 . 18694 1 889 . 1 1 75 75 ILE C C 13 177.404 0.000 . 1 . . . A 660 ILE C . 18694 1 890 . 1 1 75 75 ILE CA C 13 66.076 0.052 . 1 . . . A 660 ILE CA . 18694 1 891 . 1 1 75 75 ILE CB C 13 38.384 0.021 . 1 . . . A 660 ILE CB . 18694 1 892 . 1 1 75 75 ILE CG2 C 13 18.011 0.062 . 1 . . . A 660 ILE CG2 . 18694 1 893 . 1 1 75 75 ILE CD1 C 13 14.240 0.053 . 1 . . . A 660 ILE CD1 . 18694 1 894 . 1 1 75 75 ILE N N 15 121.103 0.101 . 1 . . . A 660 ILE N . 18694 1 895 . 1 1 76 76 GLN H H 1 8.554 0.014 . 1 . . . A 661 GLN H . 18694 1 896 . 1 1 76 76 GLN HA H 1 3.931 0.014 . 1 . . . A 661 GLN HA . 18694 1 897 . 1 1 76 76 GLN HB2 H 1 2.315 0.014 . 2 . . . A 661 GLN HB2 . 18694 1 898 . 1 1 76 76 GLN HB3 H 1 1.960 0.013 . 2 . . . A 661 GLN HB3 . 18694 1 899 . 1 1 76 76 GLN HG2 H 1 2.691 0.014 . 2 . . . A 661 GLN HG2 . 18694 1 900 . 1 1 76 76 GLN HG3 H 1 2.310 0.016 . 2 . . . A 661 GLN HG3 . 18694 1 901 . 1 1 76 76 GLN HE21 H 1 7.333 0.020 . 1 . . . A 661 GLN HE21 . 18694 1 902 . 1 1 76 76 GLN HE22 H 1 6.689 0.017 . 1 . . . A 661 GLN HE22 . 18694 1 903 . 1 1 76 76 GLN C C 13 179.682 0.000 . 1 . . . A 661 GLN C . 18694 1 904 . 1 1 76 76 GLN CA C 13 59.868 0.085 . 1 . . . A 661 GLN CA . 18694 1 905 . 1 1 76 76 GLN CB C 13 28.061 0.074 . 1 . . . A 661 GLN CB . 18694 1 906 . 1 1 76 76 GLN CG C 13 34.776 0.048 . 1 . . . A 661 GLN CG . 18694 1 907 . 1 1 76 76 GLN N N 15 118.093 0.076 . 1 . . . A 661 GLN N . 18694 1 908 . 1 1 76 76 GLN NE2 N 15 110.241 0.156 . 1 . . . A 661 GLN NE2 . 18694 1 909 . 1 1 77 77 LYS H H 1 8.110 0.009 . 1 . . . A 662 LYS H . 18694 1 910 . 1 1 77 77 LYS HA H 1 3.961 0.024 . 1 . . . A 662 LYS HA . 18694 1 911 . 1 1 77 77 LYS C C 13 178.745 0.000 . 1 . . . A 662 LYS C . 18694 1 912 . 1 1 77 77 LYS CA C 13 58.521 0.071 . 1 . . . A 662 LYS CA . 18694 1 913 . 1 1 77 77 LYS CB C 13 31.622 0.076 . 1 . . . A 662 LYS CB . 18694 1 914 . 1 1 77 77 LYS CG C 13 24.010 0.000 . 1 . . . A 662 LYS CG . 18694 1 915 . 1 1 77 77 LYS CD C 13 28.411 0.000 . 1 . . . A 662 LYS CD . 18694 1 916 . 1 1 77 77 LYS CE C 13 41.831 0.000 . 1 . . . A 662 LYS CE . 18694 1 917 . 1 1 77 77 LYS N N 15 119.532 0.034 . 1 . . . A 662 LYS N . 18694 1 918 . 1 1 78 78 GLU H H 1 8.011 0.022 . 1 . . . A 663 GLU H . 18694 1 919 . 1 1 78 78 GLU HA H 1 4.021 0.020 . 1 . . . A 663 GLU HA . 18694 1 920 . 1 1 78 78 GLU HB2 H 1 2.141 0.019 . 2 . . . A 663 GLU HB2 . 18694 1 921 . 1 1 78 78 GLU HB3 H 1 2.389 0.011 . 2 . . . A 663 GLU HB3 . 18694 1 922 . 1 1 78 78 GLU C C 13 179.429 0.000 . 1 . . . A 663 GLU C . 18694 1 923 . 1 1 78 78 GLU CA C 13 59.493 0.142 . 1 . . . A 663 GLU CA . 18694 1 924 . 1 1 78 78 GLU CB C 13 29.164 0.066 . 1 . . . A 663 GLU CB . 18694 1 925 . 1 1 78 78 GLU CG C 13 35.709 0.096 . 1 . . . A 663 GLU CG . 18694 1 926 . 1 1 78 78 GLU N N 15 121.313 0.069 . 1 . . . A 663 GLU N . 18694 1 927 . 1 1 79 79 LEU H H 1 8.342 0.008 . 1 . . . A 664 LEU H . 18694 1 928 . 1 1 79 79 LEU HA H 1 3.918 0.013 . 1 . . . A 664 LEU HA . 18694 1 929 . 1 1 79 79 LEU HB2 H 1 1.417 0.009 . 2 . . . A 664 LEU HB2 . 18694 1 930 . 1 1 79 79 LEU HB3 H 1 1.942 0.009 . 2 . . . A 664 LEU HB3 . 18694 1 931 . 1 1 79 79 LEU HG H 1 1.751 0.020 . 1 . . . A 664 LEU HG . 18694 1 932 . 1 1 79 79 LEU HD11 H 1 0.966 0.009 . 2 . . . A 664 LEU HD11 . 18694 1 933 . 1 1 79 79 LEU HD12 H 1 0.966 0.009 . 2 . . . A 664 LEU HD12 . 18694 1 934 . 1 1 79 79 LEU HD13 H 1 0.966 0.009 . 2 . . . A 664 LEU HD13 . 18694 1 935 . 1 1 79 79 LEU HD21 H 1 0.782 0.010 . 2 . . . A 664 LEU HD21 . 18694 1 936 . 1 1 79 79 LEU HD22 H 1 0.782 0.010 . 2 . . . A 664 LEU HD22 . 18694 1 937 . 1 1 79 79 LEU HD23 H 1 0.782 0.010 . 2 . . . A 664 LEU HD23 . 18694 1 938 . 1 1 79 79 LEU C C 13 178.785 0.000 . 1 . . . A 664 LEU C . 18694 1 939 . 1 1 79 79 LEU CA C 13 58.174 0.079 . 1 . . . A 664 LEU CA . 18694 1 940 . 1 1 79 79 LEU CB C 13 41.905 0.069 . 1 . . . A 664 LEU CB . 18694 1 941 . 1 1 79 79 LEU CG C 13 26.767 0.000 . 1 . . . A 664 LEU CG . 18694 1 942 . 1 1 79 79 LEU CD1 C 13 26.821 0.057 . 2 . . . A 664 LEU CD1 . 18694 1 943 . 1 1 79 79 LEU CD2 C 13 23.801 0.044 . 2 . . . A 664 LEU CD2 . 18694 1 944 . 1 1 79 79 LEU N N 15 119.460 0.108 . 1 . . . A 664 LEU N . 18694 1 945 . 1 1 80 80 GLU H H 1 8.018 0.019 . 1 . . . A 665 GLU H . 18694 1 946 . 1 1 80 80 GLU HA H 1 3.973 0.004 . 1 . . . A 665 GLU HA . 18694 1 947 . 1 1 80 80 GLU C C 13 179.161 0.000 . 1 . . . A 665 GLU C . 18694 1 948 . 1 1 80 80 GLU CA C 13 58.815 0.000 . 1 . . . A 665 GLU CA . 18694 1 949 . 1 1 80 80 GLU CB C 13 29.133 0.038 . 1 . . . A 665 GLU CB . 18694 1 950 . 1 1 80 80 GLU CG C 13 35.296 0.000 . 1 . . . A 665 GLU CG . 18694 1 951 . 1 1 80 80 GLU N N 15 118.822 0.097 . 1 . . . A 665 GLU N . 18694 1 952 . 1 1 81 81 GLU H H 1 8.014 0.017 . 1 . . . A 666 GLU H . 18694 1 953 . 1 1 81 81 GLU HA H 1 3.972 0.008 . 1 . . . A 666 GLU HA . 18694 1 954 . 1 1 81 81 GLU C C 13 179.536 0.000 . 1 . . . A 666 GLU C . 18694 1 955 . 1 1 81 81 GLU CA C 13 58.910 0.115 . 1 . . . A 666 GLU CA . 18694 1 956 . 1 1 81 81 GLU CB C 13 28.881 0.000 . 1 . . . A 666 GLU CB . 18694 1 957 . 1 1 81 81 GLU N N 15 118.722 0.110 . 1 . . . A 666 GLU N . 18694 1 958 . 1 1 82 82 LYS H H 1 8.056 0.005 . 1 . . . A 667 LYS H . 18694 1 959 . 1 1 82 82 LYS HA H 1 4.141 0.010 . 1 . . . A 667 LYS HA . 18694 1 960 . 1 1 82 82 LYS HG2 H 1 1.631 0.017 . 1 . . . A 667 LYS HG2 . 18694 1 961 . 1 1 82 82 LYS HG3 H 1 1.631 0.017 . 1 . . . A 667 LYS HG3 . 18694 1 962 . 1 1 82 82 LYS HE2 H 1 2.931 0.002 . 1 . . . A 667 LYS HE2 . 18694 1 963 . 1 1 82 82 LYS HE3 H 1 2.931 0.002 . 1 . . . A 667 LYS HE3 . 18694 1 964 . 1 1 82 82 LYS C C 13 179.425 0.000 . 1 . . . A 667 LYS C . 18694 1 965 . 1 1 82 82 LYS CA C 13 57.383 0.098 . 1 . . . A 667 LYS CA . 18694 1 966 . 1 1 82 82 LYS CB C 13 32.005 0.000 . 1 . . . A 667 LYS CB . 18694 1 967 . 1 1 82 82 LYS CG C 13 25.043 0.061 . 1 . . . A 667 LYS CG . 18694 1 968 . 1 1 82 82 LYS CD C 13 28.121 0.000 . 1 . . . A 667 LYS CD . 18694 1 969 . 1 1 82 82 LYS CE C 13 42.129 0.000 . 1 . . . A 667 LYS CE . 18694 1 970 . 1 1 82 82 LYS N N 15 119.177 0.040 . 1 . . . A 667 LYS N . 18694 1 971 . 1 1 83 83 ARG H H 1 8.218 0.008 . 1 . . . A 668 ARG H . 18694 1 972 . 1 1 83 83 ARG HA H 1 3.959 0.002 . 1 . . . A 668 ARG HA . 18694 1 973 . 1 1 83 83 ARG C C 13 178.260 0.000 . 1 . . . A 668 ARG C . 18694 1 974 . 1 1 83 83 ARG CA C 13 58.964 0.060 . 1 . . . A 668 ARG CA . 18694 1 975 . 1 1 83 83 ARG CB C 13 30.211 0.064 . 1 . . . A 668 ARG CB . 18694 1 976 . 1 1 83 83 ARG N N 15 119.491 0.081 . 1 . . . A 668 ARG N . 18694 1 977 . 1 1 84 84 ARG H H 1 7.793 0.012 . 1 . . . A 669 ARG H . 18694 1 978 . 1 1 84 84 ARG HA H 1 4.170 0.019 . 1 . . . A 669 ARG HA . 18694 1 979 . 1 1 84 84 ARG HB2 H 1 1.888 0.017 . 1 . . . A 669 ARG HB2 . 18694 1 980 . 1 1 84 84 ARG HB3 H 1 1.888 0.017 . 1 . . . A 669 ARG HB3 . 18694 1 981 . 1 1 84 84 ARG C C 13 177.325 0.000 . 1 . . . A 669 ARG C . 18694 1 982 . 1 1 84 84 ARG CA C 13 57.551 0.062 . 1 . . . A 669 ARG CA . 18694 1 983 . 1 1 84 84 ARG CB C 13 30.109 0.021 . 1 . . . A 669 ARG CB . 18694 1 984 . 1 1 84 84 ARG CG C 13 27.317 0.000 . 1 . . . A 669 ARG CG . 18694 1 985 . 1 1 84 84 ARG CD C 13 43.377 0.000 . 1 . . . A 669 ARG CD . 18694 1 986 . 1 1 84 84 ARG N N 15 117.972 0.107 . 1 . . . A 669 ARG N . 18694 1 987 . 1 1 85 85 SER H H 1 7.794 0.008 . 1 . . . A 670 SER H . 18694 1 988 . 1 1 85 85 SER HA H 1 4.410 0.013 . 1 . . . A 670 SER HA . 18694 1 989 . 1 1 85 85 SER HB2 H 1 3.942 0.004 . 1 . . . A 670 SER HB2 . 18694 1 990 . 1 1 85 85 SER HB3 H 1 3.942 0.004 . 1 . . . A 670 SER HB3 . 18694 1 991 . 1 1 85 85 SER C C 13 174.266 0.000 . 1 . . . A 670 SER C . 18694 1 992 . 1 1 85 85 SER CA C 13 58.946 0.079 . 1 . . . A 670 SER CA . 18694 1 993 . 1 1 85 85 SER CB C 13 63.814 0.249 . 1 . . . A 670 SER CB . 18694 1 994 . 1 1 85 85 SER N N 15 114.336 0.076 . 1 . . . A 670 SER N . 18694 1 995 . 1 1 86 86 ARG H H 1 7.740 0.008 . 1 . . . A 671 ARG H . 18694 1 996 . 1 1 86 86 ARG HA H 1 4.347 0.013 . 1 . . . A 671 ARG HA . 18694 1 997 . 1 1 86 86 ARG HB2 H 1 1.742 0.007 . 1 . . . A 671 ARG HB2 . 18694 1 998 . 1 1 86 86 ARG HB3 H 1 1.742 0.007 . 1 . . . A 671 ARG HB3 . 18694 1 999 . 1 1 86 86 ARG HD2 H 1 3.170 0.013 . 1 . . . A 671 ARG HD2 . 18694 1 1000 . 1 1 86 86 ARG HD3 H 1 3.170 0.013 . 1 . . . A 671 ARG HD3 . 18694 1 1001 . 1 1 86 86 ARG C C 13 175.272 0.000 . 1 . . . A 671 ARG C . 18694 1 1002 . 1 1 86 86 ARG CA C 13 56.121 0.063 . 1 . . . A 671 ARG CA . 18694 1 1003 . 1 1 86 86 ARG CB C 13 30.507 0.065 . 1 . . . A 671 ARG CB . 18694 1 1004 . 1 1 86 86 ARG CG C 13 26.772 0.000 . 1 . . . A 671 ARG CG . 18694 1 1005 . 1 1 86 86 ARG CD C 13 43.442 0.058 . 1 . . . A 671 ARG CD . 18694 1 1006 . 1 1 86 86 ARG N N 15 122.062 0.077 . 1 . . . A 671 ARG N . 18694 1 1007 . 1 1 87 87 LEU H H 1 7.699 0.012 . 1 . . . A 672 LEU H . 18694 1 1008 . 1 1 87 87 LEU HA H 1 4.179 0.018 . 1 . . . A 672 LEU HA . 18694 1 1009 . 1 1 87 87 LEU HB2 H 1 1.601 0.020 . 2 . . . A 672 LEU HB2 . 18694 1 1010 . 1 1 87 87 LEU HB3 H 1 1.593 0.015 . 2 . . . A 672 LEU HB3 . 18694 1 1011 . 1 1 87 87 LEU HD11 H 1 0.891 0.017 . 2 . . . A 672 LEU HD11 . 18694 1 1012 . 1 1 87 87 LEU HD12 H 1 0.891 0.017 . 2 . . . A 672 LEU HD12 . 18694 1 1013 . 1 1 87 87 LEU HD13 H 1 0.891 0.017 . 2 . . . A 672 LEU HD13 . 18694 1 1014 . 1 1 87 87 LEU HD21 H 1 0.852 0.004 . 2 . . . A 672 LEU HD21 . 18694 1 1015 . 1 1 87 87 LEU HD22 H 1 0.852 0.004 . 2 . . . A 672 LEU HD22 . 18694 1 1016 . 1 1 87 87 LEU HD23 H 1 0.852 0.004 . 2 . . . A 672 LEU HD23 . 18694 1 1017 . 1 1 87 87 LEU C C 13 182.273 0.000 . 1 . . . A 672 LEU C . 18694 1 1018 . 1 1 87 87 LEU CA C 13 56.357 0.094 . 1 . . . A 672 LEU CA . 18694 1 1019 . 1 1 87 87 LEU CB C 13 43.244 0.058 . 1 . . . A 672 LEU CB . 18694 1 1020 . 1 1 87 87 LEU CD1 C 13 25.309 0.035 . 2 . . . A 672 LEU CD1 . 18694 1 1021 . 1 1 87 87 LEU CD2 C 13 23.357 0.074 . 2 . . . A 672 LEU CD2 . 18694 1 1022 . 1 1 87 87 LEU N N 15 127.973 0.091 . 1 . . . A 672 LEU N . 18694 1 1023 . 2 2 1 1 ASP HA H 1 4.545 0.023 . 1 . . . B 840 ASP HA . 18694 1 1024 . 2 2 1 1 ASP HB2 H 1 2.693 0.004 . 2 . . . B 840 ASP HB2 . 18694 1 1025 . 2 2 1 1 ASP HB3 H 1 2.676 0.020 . 2 . . . B 840 ASP HB3 . 18694 1 1026 . 2 2 1 1 ASP H H 1 8.150 0.005 . 1 . . . B 840 ASP H1 . 18694 1 1027 . 2 2 1 1 ASP C C 13 175.967 0.004 . 1 . . . B 840 ASP C . 18694 1 1028 . 2 2 1 1 ASP CA C 13 52.225 0.003 . 1 . . . B 840 ASP CA . 18694 1 1029 . 2 2 1 1 ASP CB C 13 41.236 0.019 . 1 . . . B 840 ASP CB . 18694 1 1030 . 2 2 1 1 ASP N N 15 121.043 0.029 . 1 . . . B 840 ASP N . 18694 1 1031 . 2 2 2 2 ALA H H 1 8.242 0.009 . 1 . . . B 841 ALA H . 18694 1 1032 . 2 2 2 2 ALA HA H 1 4.588 0.000 . 1 . . . B 841 ALA HA . 18694 1 1033 . 2 2 2 2 ALA HB1 H 1 1.408 0.005 . 1 . . . B 841 ALA HB1 . 18694 1 1034 . 2 2 2 2 ALA HB2 H 1 1.408 0.005 . 1 . . . B 841 ALA HB2 . 18694 1 1035 . 2 2 2 2 ALA HB3 H 1 1.408 0.005 . 1 . . . B 841 ALA HB3 . 18694 1 1036 . 2 2 2 2 ALA C C 13 178.153 0.004 . 1 . . . B 841 ALA C . 18694 1 1037 . 2 2 2 2 ALA CA C 13 50.805 0.010 . 1 . . . B 841 ALA CA . 18694 1 1038 . 2 2 2 2 ALA CB C 13 19.284 0.009 . 1 . . . B 841 ALA CB . 18694 1 1039 . 2 2 2 2 ALA N N 15 124.425 0.027 . 1 . . . B 841 ALA N . 18694 1 1040 . 2 2 3 3 GLY H H 1 8.379 0.002 . 1 . . . B 842 GLY H . 18694 1 1041 . 2 2 3 3 GLY HA2 H 1 3.923 0.001 . 1 . . . B 842 GLY HA2 . 18694 1 1042 . 2 2 3 3 GLY HA3 H 1 3.923 0.001 . 1 . . . B 842 GLY HA3 . 18694 1 1043 . 2 2 3 3 GLY C C 13 173.892 0.000 . 1 . . . B 842 GLY C . 18694 1 1044 . 2 2 3 3 GLY CA C 13 43.189 0.001 . 1 . . . B 842 GLY CA . 18694 1 1045 . 2 2 3 3 GLY N N 15 107.424 0.019 . 1 . . . B 842 GLY N . 18694 1 1046 . 2 2 4 4 ASN H H 1 8.152 0.006 . 1 . . . B 843 ASN H . 18694 1 1047 . 2 2 4 4 ASN HA H 1 4.754 0.008 . 1 . . . B 843 ASN HA . 18694 1 1048 . 2 2 4 4 ASN HB2 H 1 2.665 0.011 . 2 . . . B 843 ASN HB2 . 18694 1 1049 . 2 2 4 4 ASN HB3 H 1 2.848 0.002 . 2 . . . B 843 ASN HB3 . 18694 1 1050 . 2 2 4 4 ASN HD21 H 1 6.938 0.009 . 1 . . . B 843 ASN HD21 . 18694 1 1051 . 2 2 4 4 ASN HD22 H 1 7.596 0.006 . 1 . . . B 843 ASN HD22 . 18694 1 1052 . 2 2 4 4 ASN C C 13 175.362 0.005 . 1 . . . B 843 ASN C . 18694 1 1053 . 2 2 4 4 ASN CA C 13 51.024 0.003 . 1 . . . B 843 ASN CA . 18694 1 1054 . 2 2 4 4 ASN CB C 13 39.275 0.005 . 1 . . . B 843 ASN CB . 18694 1 1055 . 2 2 4 4 ASN N N 15 118.674 0.010 . 1 . . . B 843 ASN N . 18694 1 1056 . 2 2 4 4 ASN ND2 N 15 112.944 0.029 . 1 . . . B 843 ASN ND2 . 18694 1 1057 . 2 2 5 5 ILE H H 1 9.623 0.007 . 1 . . . B 844 ILE H . 18694 1 1058 . 2 2 5 5 ILE HA H 1 4.050 0.007 . 1 . . . B 844 ILE HA . 18694 1 1059 . 2 2 5 5 ILE HB H 1 1.928 0.017 . 1 . . . B 844 ILE HB . 18694 1 1060 . 2 2 5 5 ILE HG12 H 1 1.175 0.003 . 2 . . . B 844 ILE HG12 . 18694 1 1061 . 2 2 5 5 ILE HG13 H 1 1.474 0.010 . 2 . . . B 844 ILE HG13 . 18694 1 1062 . 2 2 5 5 ILE HG21 H 1 0.855 0.009 . 1 . . . B 844 ILE HG21 . 18694 1 1063 . 2 2 5 5 ILE HG22 H 1 0.855 0.009 . 1 . . . B 844 ILE HG22 . 18694 1 1064 . 2 2 5 5 ILE HG23 H 1 0.855 0.009 . 1 . . . B 844 ILE HG23 . 18694 1 1065 . 2 2 5 5 ILE HD11 H 1 0.835 0.010 . 1 . . . B 844 ILE HD11 . 18694 1 1066 . 2 2 5 5 ILE HD12 H 1 0.835 0.010 . 1 . . . B 844 ILE HD12 . 18694 1 1067 . 2 2 5 5 ILE HD13 H 1 0.835 0.010 . 1 . . . B 844 ILE HD13 . 18694 1 1068 . 2 2 5 5 ILE C C 13 176.869 0.000 . 1 . . . B 844 ILE C . 18694 1 1069 . 2 2 5 5 ILE CA C 13 60.498 0.043 . 1 . . . B 844 ILE CA . 18694 1 1070 . 2 2 5 5 ILE CB C 13 38.494 0.006 . 1 . . . B 844 ILE CB . 18694 1 1071 . 2 2 5 5 ILE CG1 C 13 27.672 0.028 . 1 . . . B 844 ILE CG1 . 18694 1 1072 . 2 2 5 5 ILE CG2 C 13 18.049 0.041 . 1 . . . B 844 ILE CG2 . 18694 1 1073 . 2 2 5 5 ILE CD1 C 13 13.548 0.042 . 1 . . . B 844 ILE CD1 . 18694 1 1074 . 2 2 5 5 ILE N N 15 123.402 0.063 . 1 . . . B 844 ILE N . 18694 1 1075 . 2 2 6 6 LEU H H 1 8.858 0.005 . 1 . . . B 845 LEU H . 18694 1 1076 . 2 2 6 6 LEU HA H 1 4.411 0.002 . 1 . . . B 845 LEU HA . 18694 1 1077 . 2 2 6 6 LEU HB2 H 1 1.554 0.012 . 1 . . . B 845 LEU HB2 . 18694 1 1078 . 2 2 6 6 LEU HB3 H 1 1.554 0.012 . 1 . . . B 845 LEU HB3 . 18694 1 1079 . 2 2 6 6 LEU HG H 1 1.254 0.023 . 1 . . . B 845 LEU HG . 18694 1 1080 . 2 2 6 6 LEU HD11 H 1 0.772 0.011 . 1 . . . B 845 LEU HD11 . 18694 1 1081 . 2 2 6 6 LEU HD12 H 1 0.772 0.011 . 1 . . . B 845 LEU HD12 . 18694 1 1082 . 2 2 6 6 LEU HD13 H 1 0.772 0.011 . 1 . . . B 845 LEU HD13 . 18694 1 1083 . 2 2 6 6 LEU HD21 H 1 0.772 0.011 . 1 . . . B 845 LEU HD21 . 18694 1 1084 . 2 2 6 6 LEU HD22 H 1 0.772 0.011 . 1 . . . B 845 LEU HD22 . 18694 1 1085 . 2 2 6 6 LEU HD23 H 1 0.772 0.011 . 1 . . . B 845 LEU HD23 . 18694 1 1086 . 2 2 6 6 LEU C C 13 174.427 0.000 . 1 . . . B 845 LEU C . 18694 1 1087 . 2 2 6 6 LEU CA C 13 50.279 0.000 . 1 . . . B 845 LEU CA . 18694 1 1088 . 2 2 6 6 LEU CB C 13 43.207 0.035 . 1 . . . B 845 LEU CB . 18694 1 1089 . 2 2 6 6 LEU CD1 C 13 24.802 0.010 . 1 . . . B 845 LEU CD1 . 18694 1 1090 . 2 2 6 6 LEU CD2 C 13 24.802 0.010 . 1 . . . B 845 LEU CD2 . 18694 1 1091 . 2 2 6 6 LEU N N 15 123.673 0.034 . 1 . . . B 845 LEU N . 18694 1 1092 . 2 2 7 7 PRO C C 13 178.181 0.000 . 1 . . . B 846 PRO C . 18694 1 1093 . 2 2 7 7 PRO CA C 13 60.601 0.026 . 1 . . . B 846 PRO CA . 18694 1 1094 . 2 2 8 8 SER H H 1 8.916 0.002 . 1 . . . B 847 SER H . 18694 1 1095 . 2 2 8 8 SER HA H 1 4.402 0.011 . 1 . . . B 847 SER HA . 18694 1 1096 . 2 2 8 8 SER HB2 H 1 3.927 0.009 . 1 . . . B 847 SER HB2 . 18694 1 1097 . 2 2 8 8 SER HB3 H 1 3.927 0.009 . 1 . . . B 847 SER HB3 . 18694 1 1098 . 2 2 8 8 SER C C 13 175.627 0.000 . 1 . . . B 847 SER C . 18694 1 1099 . 2 2 8 8 SER CA C 13 60.038 0.007 . 1 . . . B 847 SER CA . 18694 1 1100 . 2 2 8 8 SER N N 15 120.069 0.040 . 1 . . . B 847 SER N . 18694 1 1101 . 2 2 9 9 ASP H H 1 8.911 0.007 . 1 . . . B 848 ASP H . 18694 1 1102 . 2 2 9 9 ASP HA H 1 4.388 0.007 . 1 . . . B 848 ASP HA . 18694 1 1103 . 2 2 9 9 ASP HB2 H 1 2.564 0.014 . 2 . . . B 848 ASP HB2 . 18694 1 1104 . 2 2 9 9 ASP HB3 H 1 2.682 0.004 . 2 . . . B 848 ASP HB3 . 18694 1 1105 . 2 2 9 9 ASP C C 13 178.955 0.003 . 1 . . . B 848 ASP C . 18694 1 1106 . 2 2 9 9 ASP CA C 13 54.393 0.013 . 1 . . . B 848 ASP CA . 18694 1 1107 . 2 2 9 9 ASP CB C 13 39.371 0.007 . 1 . . . B 848 ASP CB . 18694 1 1108 . 2 2 9 9 ASP N N 15 119.269 0.028 . 1 . . . B 848 ASP N . 18694 1 1109 . 2 2 10 10 ILE H H 1 7.175 0.007 . 1 . . . B 849 ILE H . 18694 1 1110 . 2 2 10 10 ILE HA H 1 3.874 0.020 . 1 . . . B 849 ILE HA . 18694 1 1111 . 2 2 10 10 ILE HB H 1 1.716 0.009 . 1 . . . B 849 ILE HB . 18694 1 1112 . 2 2 10 10 ILE HG12 H 1 1.058 0.028 . 2 . . . B 849 ILE HG12 . 18694 1 1113 . 2 2 10 10 ILE HG13 H 1 1.490 0.016 . 2 . . . B 849 ILE HG13 . 18694 1 1114 . 2 2 10 10 ILE HG21 H 1 0.851 0.023 . 1 . . . B 849 ILE HG21 . 18694 1 1115 . 2 2 10 10 ILE HG22 H 1 0.851 0.023 . 1 . . . B 849 ILE HG22 . 18694 1 1116 . 2 2 10 10 ILE HG23 H 1 0.851 0.023 . 1 . . . B 849 ILE HG23 . 18694 1 1117 . 2 2 10 10 ILE HD11 H 1 0.645 0.007 . 1 . . . B 849 ILE HD11 . 18694 1 1118 . 2 2 10 10 ILE HD12 H 1 0.645 0.007 . 1 . . . B 849 ILE HD12 . 18694 1 1119 . 2 2 10 10 ILE HD13 H 1 0.645 0.007 . 1 . . . B 849 ILE HD13 . 18694 1 1120 . 2 2 10 10 ILE C C 13 177.044 0.052 . 1 . . . B 849 ILE C . 18694 1 1121 . 2 2 10 10 ILE CA C 13 61.864 0.021 . 1 . . . B 849 ILE CA . 18694 1 1122 . 2 2 10 10 ILE CB C 13 37.528 0.009 . 1 . . . B 849 ILE CB . 18694 1 1123 . 2 2 10 10 ILE CG2 C 13 18.335 0.059 . 1 . . . B 849 ILE CG2 . 18694 1 1124 . 2 2 10 10 ILE CD1 C 13 12.791 0.020 . 1 . . . B 849 ILE CD1 . 18694 1 1125 . 2 2 10 10 ILE N N 15 121.423 0.024 . 1 . . . B 849 ILE N . 18694 1 1126 . 2 2 11 11 MET H H 1 8.089 0.011 . 1 . . . B 850 MET H . 18694 1 1127 . 2 2 11 11 MET HA H 1 3.909 0.012 . 1 . . . B 850 MET HA . 18694 1 1128 . 2 2 11 11 MET HB2 H 1 2.088 0.008 . 2 . . . B 850 MET HB2 . 18694 1 1129 . 2 2 11 11 MET HB3 H 1 1.912 0.002 . 2 . . . B 850 MET HB3 . 18694 1 1130 . 2 2 11 11 MET HG2 H 1 2.415 0.023 . 1 . . . B 850 MET HG2 . 18694 1 1131 . 2 2 11 11 MET HG3 H 1 2.415 0.023 . 1 . . . B 850 MET HG3 . 18694 1 1132 . 2 2 11 11 MET HE1 H 1 1.988 0.001 . 1 . . . B 850 MET HE1 . 18694 1 1133 . 2 2 11 11 MET HE2 H 1 1.988 0.001 . 1 . . . B 850 MET HE2 . 18694 1 1134 . 2 2 11 11 MET HE3 H 1 1.988 0.001 . 1 . . . B 850 MET HE3 . 18694 1 1135 . 2 2 11 11 MET C C 13 176.975 0.000 . 1 . . . B 850 MET C . 18694 1 1136 . 2 2 11 11 MET CA C 13 57.090 0.018 . 1 . . . B 850 MET CA . 18694 1 1137 . 2 2 11 11 MET CB C 13 32.221 0.052 . 1 . . . B 850 MET CB . 18694 1 1138 . 2 2 11 11 MET CE C 13 17.624 0.014 . 1 . . . B 850 MET CE . 18694 1 1139 . 2 2 11 11 MET N N 15 119.407 0.037 . 1 . . . B 850 MET N . 18694 1 1140 . 2 2 12 12 ASP H H 1 8.229 0.007 . 1 . . . B 851 ASP H . 18694 1 1141 . 2 2 12 12 ASP HA H 1 4.289 0.005 . 1 . . . B 851 ASP HA . 18694 1 1142 . 2 2 12 12 ASP HB2 H 1 2.599 0.014 . 2 . . . B 851 ASP HB2 . 18694 1 1143 . 2 2 12 12 ASP HB3 H 1 2.712 0.021 . 2 . . . B 851 ASP HB3 . 18694 1 1144 . 2 2 12 12 ASP C C 13 177.653 0.000 . 1 . . . B 851 ASP C . 18694 1 1145 . 2 2 12 12 ASP CA C 13 55.440 0.005 . 1 . . . B 851 ASP CA . 18694 1 1146 . 2 2 12 12 ASP CB C 13 41.255 0.016 . 1 . . . B 851 ASP CB . 18694 1 1147 . 2 2 12 12 ASP N N 15 116.671 0.033 . 1 . . . B 851 ASP N . 18694 1 1148 . 2 2 13 13 PHE H H 1 7.290 0.011 . 1 . . . B 852 PHE H . 18694 1 1149 . 2 2 13 13 PHE HA H 1 4.320 0.021 . 1 . . . B 852 PHE HA . 18694 1 1150 . 2 2 13 13 PHE HB2 H 1 3.243 0.017 . 1 . . . B 852 PHE HB2 . 18694 1 1151 . 2 2 13 13 PHE HB3 H 1 3.243 0.017 . 1 . . . B 852 PHE HB3 . 18694 1 1152 . 2 2 13 13 PHE HD1 H 1 7.072 0.022 . 3 . . . B 852 PHE HD1 . 18694 1 1153 . 2 2 13 13 PHE HD2 H 1 7.072 0.022 . 3 . . . B 852 PHE HD2 . 18694 1 1154 . 2 2 13 13 PHE HE1 H 1 7.532 0.024 . 3 . . . B 852 PHE HE1 . 18694 1 1155 . 2 2 13 13 PHE HE2 H 1 7.532 0.024 . 3 . . . B 852 PHE HE2 . 18694 1 1156 . 2 2 13 13 PHE C C 13 176.838 0.000 . 1 . . . B 852 PHE C . 18694 1 1157 . 2 2 13 13 PHE CA C 13 57.243 0.031 . 1 . . . B 852 PHE CA . 18694 1 1158 . 2 2 13 13 PHE CB C 13 39.544 0.018 . 1 . . . B 852 PHE CB . 18694 1 1159 . 2 2 13 13 PHE N N 15 118.549 0.053 . 1 . . . B 852 PHE N . 18694 1 1160 . 2 2 14 14 VAL H H 1 8.106 0.009 . 1 . . . B 853 VAL H . 18694 1 1161 . 2 2 14 14 VAL HA H 1 3.922 0.026 . 1 . . . B 853 VAL HA . 18694 1 1162 . 2 2 14 14 VAL HB H 1 1.843 0.012 . 1 . . . B 853 VAL HB . 18694 1 1163 . 2 2 14 14 VAL HG11 H 1 0.650 0.018 . 2 . . . B 853 VAL HG11 . 18694 1 1164 . 2 2 14 14 VAL HG12 H 1 0.650 0.018 . 2 . . . B 853 VAL HG12 . 18694 1 1165 . 2 2 14 14 VAL HG13 H 1 0.650 0.018 . 2 . . . B 853 VAL HG13 . 18694 1 1166 . 2 2 14 14 VAL HG21 H 1 0.818 0.011 . 2 . . . B 853 VAL HG21 . 18694 1 1167 . 2 2 14 14 VAL HG22 H 1 0.818 0.011 . 2 . . . B 853 VAL HG22 . 18694 1 1168 . 2 2 14 14 VAL HG23 H 1 0.818 0.011 . 2 . . . B 853 VAL HG23 . 18694 1 1169 . 2 2 14 14 VAL C C 13 179.082 0.013 . 1 . . . B 853 VAL C . 18694 1 1170 . 2 2 14 14 VAL CA C 13 63.476 0.003 . 1 . . . B 853 VAL CA . 18694 1 1171 . 2 2 14 14 VAL CG1 C 13 21.891 0.019 . 2 . . . B 853 VAL CG1 . 18694 1 1172 . 2 2 14 14 VAL CG2 C 13 21.616 0.109 . 2 . . . B 853 VAL CG2 . 18694 1 1173 . 2 2 14 14 VAL N N 15 117.171 0.079 . 1 . . . B 853 VAL N . 18694 1 1174 . 2 2 15 15 LEU H H 1 8.361 0.014 . 1 . . . B 854 LEU H . 18694 1 1175 . 2 2 15 15 LEU HA H 1 3.954 0.010 . 1 . . . B 854 LEU HA . 18694 1 1176 . 2 2 15 15 LEU HB2 H 1 1.771 0.022 . 1 . . . B 854 LEU HB2 . 18694 1 1177 . 2 2 15 15 LEU HB3 H 1 1.771 0.022 . 1 . . . B 854 LEU HB3 . 18694 1 1178 . 2 2 15 15 LEU HG H 1 1.430 0.007 . 1 . . . B 854 LEU HG . 18694 1 1179 . 2 2 15 15 LEU HD11 H 1 0.800 0.005 . 2 . . . B 854 LEU HD11 . 18694 1 1180 . 2 2 15 15 LEU HD12 H 1 0.800 0.005 . 2 . . . B 854 LEU HD12 . 18694 1 1181 . 2 2 15 15 LEU HD13 H 1 0.800 0.005 . 2 . . . B 854 LEU HD13 . 18694 1 1182 . 2 2 15 15 LEU HD21 H 1 0.758 0.018 . 2 . . . B 854 LEU HD21 . 18694 1 1183 . 2 2 15 15 LEU HD22 H 1 0.758 0.018 . 2 . . . B 854 LEU HD22 . 18694 1 1184 . 2 2 15 15 LEU HD23 H 1 0.758 0.018 . 2 . . . B 854 LEU HD23 . 18694 1 1185 . 2 2 15 15 LEU C C 13 179.214 0.017 . 1 . . . B 854 LEU C . 18694 1 1186 . 2 2 15 15 LEU CA C 13 55.035 0.025 . 1 . . . B 854 LEU CA . 18694 1 1187 . 2 2 15 15 LEU CD1 C 13 25.823 0.072 . 2 . . . B 854 LEU CD1 . 18694 1 1188 . 2 2 15 15 LEU CD2 C 13 22.973 0.007 . 2 . . . B 854 LEU CD2 . 18694 1 1189 . 2 2 15 15 LEU N N 15 119.806 0.026 . 1 . . . B 854 LEU N . 18694 1 1190 . 2 2 16 16 LYS H H 1 7.739 0.009 . 1 . . . B 855 LYS H . 18694 1 1191 . 2 2 16 16 LYS HA H 1 4.141 0.010 . 1 . . . B 855 LYS HA . 18694 1 1192 . 2 2 16 16 LYS HB2 H 1 1.874 0.004 . 2 . . . B 855 LYS HB2 . 18694 1 1193 . 2 2 16 16 LYS HB3 H 1 1.871 0.002 . 2 . . . B 855 LYS HB3 . 18694 1 1194 . 2 2 16 16 LYS HG2 H 1 1.463 0.003 . 2 . . . B 855 LYS HG2 . 18694 1 1195 . 2 2 16 16 LYS HG3 H 1 1.457 0.008 . 2 . . . B 855 LYS HG3 . 18694 1 1196 . 2 2 16 16 LYS HD2 H 1 1.683 0.000 . 1 . . . B 855 LYS HD2 . 18694 1 1197 . 2 2 16 16 LYS HD3 H 1 1.683 0.000 . 1 . . . B 855 LYS HD3 . 18694 1 1198 . 2 2 16 16 LYS HE2 H 1 2.979 0.000 . 1 . . . B 855 LYS HE2 . 18694 1 1199 . 2 2 16 16 LYS HE3 H 1 2.979 0.000 . 1 . . . B 855 LYS HE3 . 18694 1 1200 . 2 2 16 16 LYS C C 13 176.957 0.000 . 1 . . . B 855 LYS C . 18694 1 1201 . 2 2 16 16 LYS CA C 13 55.662 0.034 . 1 . . . B 855 LYS CA . 18694 1 1202 . 2 2 16 16 LYS CG C 13 25.318 0.012 . 1 . . . B 855 LYS CG . 18694 1 1203 . 2 2 16 16 LYS N N 15 117.264 0.032 . 1 . . . B 855 LYS N . 18694 1 1204 . 2 2 17 17 ASN H H 1 7.396 0.006 . 1 . . . B 856 ASN H . 18694 1 1205 . 2 2 17 17 ASN HA H 1 4.805 0.000 . 1 . . . B 856 ASN HA . 18694 1 1206 . 2 2 17 17 ASN HB2 H 1 2.917 0.008 . 1 . . . B 856 ASN HB2 . 18694 1 1207 . 2 2 17 17 ASN HB3 H 1 2.917 0.008 . 1 . . . B 856 ASN HB3 . 18694 1 1208 . 2 2 17 17 ASN C C 13 173.621 0.000 . 1 . . . B 856 ASN C . 18694 1 1209 . 2 2 17 17 ASN CA C 13 51.600 0.001 . 1 . . . B 856 ASN CA . 18694 1 1210 . 2 2 17 17 ASN N N 15 115.917 0.051 . 1 . . . B 856 ASN N . 18694 1 1211 . 2 2 18 18 THR H H 1 7.473 0.010 . 1 . . . B 857 THR H . 18694 1 1212 . 2 2 18 18 THR HA H 1 4.775 0.000 . 1 . . . B 857 THR HA . 18694 1 1213 . 2 2 18 18 THR HB H 1 4.146 0.000 . 1 . . . B 857 THR HB . 18694 1 1214 . 2 2 18 18 THR HG21 H 1 1.179 0.004 . 1 . . . B 857 THR HG21 . 18694 1 1215 . 2 2 18 18 THR HG22 H 1 1.179 0.004 . 1 . . . B 857 THR HG22 . 18694 1 1216 . 2 2 18 18 THR HG23 H 1 1.179 0.004 . 1 . . . B 857 THR HG23 . 18694 1 1217 . 2 2 18 18 THR C C 13 171.722 0.000 . 1 . . . B 857 THR C . 18694 1 1218 . 2 2 18 18 THR CA C 13 57.466 0.000 . 1 . . . B 857 THR CA . 18694 1 1219 . 2 2 18 18 THR CG2 C 13 21.588 0.005 . 1 . . . B 857 THR CG2 . 18694 1 1220 . 2 2 18 18 THR N N 15 115.043 0.050 . 1 . . . B 857 THR N . 18694 1 stop_ save_