data_18182 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18182 _Entry.Title ; Identification and structural basis for a novel interaction between Vav2 and Arap3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-05 _Entry.Accession_date 2012-01-05 _Entry.Last_release_date 2012-11-19 _Entry.Original_release_date 2012-11-19 _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 Bo Wu . . . 18182 2 Jiahai Zhang . . . 18182 3 Jihui Wu . . . 18182 4 Yunyu Shi . . . 18182 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' . 18182 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Identification and structural basis for a novel interaction between Vav2 and Arap3' . 18182 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18182 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 455 18182 '15N chemical shifts' 111 18182 '1H chemical shifts' 884 18182 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-11-19 2012-01-05 original author . 18182 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18183 'free aS' 18182 PDB 2LNW 'BMRB Entry Tracking System' 18182 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18182 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22750419 _Citation.Full_citation . _Citation.Title 'Identification and structural basis for a novel interaction between Vav2 and Arap3' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 180 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 84 _Citation.Page_last 95 _Citation.Year 2012 _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 Bo Wu . . . 18182 1 2 Fengsong Wang . . . 18182 1 3 Jiahai Zhang . . . 18182 1 4 Zhiyong Zhang . . . 18182 1 5 Liying Qin . . . 18182 1 6 Junhui Peng . . . 18182 1 7 Fudong Li . . . 18182 1 8 Jianping Liu . . . 18182 1 9 Guowei Lu . . . 18182 1 10 Qingguo Gong . . . 18182 1 11 Xuebiao Yao . . . 18182 1 12 Jihui Wu . . . 18182 1 13 Yunyu Shi . . . 18182 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18182 _Assembly.ID 1 _Assembly.Name 'Vav2 and Arap3' _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 Vav2 1 $entity_1 A . yes native no no . . . 18182 1 2 Arap3 2 $entity_2 B . yes native no no . . . 18182 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 18182 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_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 ; SRPPSREIDYTAYPWFAGNM ERQQTDNLLKSHASGTYLIR ERPAEAERFAISIKFNDEVK HIKVVEKDNWIHITEAKKFD SLLELVEYYQCHSLKESFKQ LDTTLKYPYKSRE ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13480.319 _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 18183 . entity . . . . . 100.00 113 100.00 100.00 1.92e-77 . . . . 18182 1 2 no PDB 2DLZ . "Solution Structure Of The Sh2 Domain Of Human Protein Vav-2" . . . . . 94.69 118 98.13 98.13 1.38e-71 . . . . 18182 1 3 no PDB 2LNW . "Identification And Structural Basis For A Novel Interaction Between Vav2 And Arap3" . . . . . 100.00 122 100.00 100.00 2.51e-77 . . . . 18182 1 4 no PDB 2LNX . "Solution Structure Of Vav2 Sh2 Domain" . . . . . 100.00 122 100.00 100.00 2.51e-77 . . . . 18182 1 5 no PDB 4ROJ . "Crystal Structure Of The Vav2 Sh2 Domain In Complex With Txnip Phosphorylated Peptide" . . . . . 92.92 117 100.00 100.00 2.11e-71 . . . . 18182 1 6 no DBJ BAJ17841 . "vav 2 guanine nucleotide exchange factor [synthetic construct]" . . . . . 100.00 839 100.00 100.00 1.84e-70 . . . . 18182 1 7 no EMBL CAE45861 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 801 100.00 100.00 8.36e-71 . . . . 18182 1 8 no EMBL CAH89854 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 839 100.00 100.00 1.91e-70 . . . . 18182 1 9 no GB AAB34377 . "VAV oncogene homolog [Homo sapiens]" . . . . . 100.00 878 100.00 100.00 2.94e-70 . . . . 18182 1 10 no GB AAH33187 . "VAV2 protein, partial [Homo sapiens]" . . . . . 100.00 369 100.00 100.00 4.18e-74 . . . . 18182 1 11 no GB AAI32966 . "Vav 2 guanine nucleotide exchange factor [Homo sapiens]" . . . . . 100.00 839 100.00 100.00 1.84e-70 . . . . 18182 1 12 no GB AAI32968 . "Vav 2 guanine nucleotide exchange factor [Homo sapiens]" . . . . . 100.00 839 100.00 100.00 1.89e-70 . . . . 18182 1 13 no GB EAW88108 . "vav 2 oncogene, isoform CRA_b [Homo sapiens]" . . . . . 100.00 868 100.00 100.00 2.95e-70 . . . . 18182 1 14 no REF NP_001124861 . "guanine nucleotide exchange factor VAV2 [Pongo abelii]" . . . . . 100.00 839 100.00 100.00 1.91e-70 . . . . 18182 1 15 no REF NP_001127870 . "guanine nucleotide exchange factor VAV2 isoform 1 [Homo sapiens]" . . . . . 100.00 878 100.00 100.00 2.64e-70 . . . . 18182 1 16 no REF NP_001252562 . "guanine nucleotide exchange factor VAV2 [Macaca mulatta]" . . . . . 100.00 878 100.00 100.00 2.66e-70 . . . . 18182 1 17 no REF NP_003362 . "guanine nucleotide exchange factor VAV2 isoform 2 [Homo sapiens]" . . . . . 100.00 839 100.00 100.00 1.84e-70 . . . . 18182 1 18 no REF XP_003911174 . "PREDICTED: guanine nucleotide exchange factor VAV2 isoform X7 [Papio anubis]" . . . . . 100.00 839 100.00 100.00 2.05e-70 . . . . 18182 1 19 no SP P52735 . "RecName: Full=Guanine nucleotide exchange factor VAV2; Short=VAV-2" . . . . . 100.00 878 100.00 100.00 2.64e-70 . . . . 18182 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 1 659 SER . 18182 1 2 660 ARG . 18182 1 3 661 PRO . 18182 1 4 662 PRO . 18182 1 5 663 SER . 18182 1 6 664 ARG . 18182 1 7 665 GLU . 18182 1 8 666 ILE . 18182 1 9 667 ASP . 18182 1 10 668 TYR . 18182 1 11 669 THR . 18182 1 12 670 ALA . 18182 1 13 671 TYR . 18182 1 14 672 PRO . 18182 1 15 673 TRP . 18182 1 16 674 PHE . 18182 1 17 675 ALA . 18182 1 18 676 GLY . 18182 1 19 677 ASN . 18182 1 20 678 MET . 18182 1 21 679 GLU . 18182 1 22 680 ARG . 18182 1 23 681 GLN . 18182 1 24 682 GLN . 18182 1 25 683 THR . 18182 1 26 684 ASP . 18182 1 27 685 ASN . 18182 1 28 686 LEU . 18182 1 29 687 LEU . 18182 1 30 688 LYS . 18182 1 31 689 SER . 18182 1 32 690 HIS . 18182 1 33 691 ALA . 18182 1 34 692 SER . 18182 1 35 693 GLY . 18182 1 36 694 THR . 18182 1 37 695 TYR . 18182 1 38 696 LEU . 18182 1 39 697 ILE . 18182 1 40 698 ARG . 18182 1 41 699 GLU . 18182 1 42 700 ARG . 18182 1 43 701 PRO . 18182 1 44 702 ALA . 18182 1 45 703 GLU . 18182 1 46 704 ALA . 18182 1 47 705 GLU . 18182 1 48 706 ARG . 18182 1 49 707 PHE . 18182 1 50 708 ALA . 18182 1 51 709 ILE . 18182 1 52 710 SER . 18182 1 53 711 ILE . 18182 1 54 712 LYS . 18182 1 55 713 PHE . 18182 1 56 714 ASN . 18182 1 57 715 ASP . 18182 1 58 716 GLU . 18182 1 59 717 VAL . 18182 1 60 718 LYS . 18182 1 61 719 HIS . 18182 1 62 720 ILE . 18182 1 63 721 LYS . 18182 1 64 722 VAL . 18182 1 65 723 VAL . 18182 1 66 724 GLU . 18182 1 67 725 LYS . 18182 1 68 726 ASP . 18182 1 69 727 ASN . 18182 1 70 728 TRP . 18182 1 71 729 ILE . 18182 1 72 730 HIS . 18182 1 73 731 ILE . 18182 1 74 732 THR . 18182 1 75 733 GLU . 18182 1 76 734 ALA . 18182 1 77 735 LYS . 18182 1 78 736 LYS . 18182 1 79 737 PHE . 18182 1 80 738 ASP . 18182 1 81 739 SER . 18182 1 82 740 LEU . 18182 1 83 741 LEU . 18182 1 84 742 GLU . 18182 1 85 743 LEU . 18182 1 86 744 VAL . 18182 1 87 745 GLU . 18182 1 88 746 TYR . 18182 1 89 747 TYR . 18182 1 90 748 GLN . 18182 1 91 749 CYS . 18182 1 92 750 HIS . 18182 1 93 751 SER . 18182 1 94 752 LEU . 18182 1 95 753 LYS . 18182 1 96 754 GLU . 18182 1 97 755 SER . 18182 1 98 756 PHE . 18182 1 99 757 LYS . 18182 1 100 758 GLN . 18182 1 101 759 LEU . 18182 1 102 760 ASP . 18182 1 103 761 THR . 18182 1 104 762 THR . 18182 1 105 763 LEU . 18182 1 106 764 LYS . 18182 1 107 765 TYR . 18182 1 108 766 PRO . 18182 1 109 767 TYR . 18182 1 110 768 LYS . 18182 1 111 769 SER . 18182 1 112 770 ARG . 18182 1 113 771 GLU . 18182 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 . SER 1 1 18182 1 . ARG 2 2 18182 1 . PRO 3 3 18182 1 . PRO 4 4 18182 1 . SER 5 5 18182 1 . ARG 6 6 18182 1 . GLU 7 7 18182 1 . ILE 8 8 18182 1 . ASP 9 9 18182 1 . TYR 10 10 18182 1 . THR 11 11 18182 1 . ALA 12 12 18182 1 . TYR 13 13 18182 1 . PRO 14 14 18182 1 . TRP 15 15 18182 1 . PHE 16 16 18182 1 . ALA 17 17 18182 1 . GLY 18 18 18182 1 . ASN 19 19 18182 1 . MET 20 20 18182 1 . GLU 21 21 18182 1 . ARG 22 22 18182 1 . GLN 23 23 18182 1 . GLN 24 24 18182 1 . THR 25 25 18182 1 . ASP 26 26 18182 1 . ASN 27 27 18182 1 . LEU 28 28 18182 1 . LEU 29 29 18182 1 . LYS 30 30 18182 1 . SER 31 31 18182 1 . HIS 32 32 18182 1 . ALA 33 33 18182 1 . SER 34 34 18182 1 . GLY 35 35 18182 1 . THR 36 36 18182 1 . TYR 37 37 18182 1 . LEU 38 38 18182 1 . ILE 39 39 18182 1 . ARG 40 40 18182 1 . GLU 41 41 18182 1 . ARG 42 42 18182 1 . PRO 43 43 18182 1 . ALA 44 44 18182 1 . GLU 45 45 18182 1 . ALA 46 46 18182 1 . GLU 47 47 18182 1 . ARG 48 48 18182 1 . PHE 49 49 18182 1 . ALA 50 50 18182 1 . ILE 51 51 18182 1 . SER 52 52 18182 1 . ILE 53 53 18182 1 . LYS 54 54 18182 1 . PHE 55 55 18182 1 . ASN 56 56 18182 1 . ASP 57 57 18182 1 . GLU 58 58 18182 1 . VAL 59 59 18182 1 . LYS 60 60 18182 1 . HIS 61 61 18182 1 . ILE 62 62 18182 1 . LYS 63 63 18182 1 . VAL 64 64 18182 1 . VAL 65 65 18182 1 . GLU 66 66 18182 1 . LYS 67 67 18182 1 . ASP 68 68 18182 1 . ASN 69 69 18182 1 . TRP 70 70 18182 1 . ILE 71 71 18182 1 . HIS 72 72 18182 1 . ILE 73 73 18182 1 . THR 74 74 18182 1 . GLU 75 75 18182 1 . ALA 76 76 18182 1 . LYS 77 77 18182 1 . LYS 78 78 18182 1 . PHE 79 79 18182 1 . ASP 80 80 18182 1 . SER 81 81 18182 1 . LEU 82 82 18182 1 . LEU 83 83 18182 1 . GLU 84 84 18182 1 . LEU 85 85 18182 1 . VAL 86 86 18182 1 . GLU 87 87 18182 1 . TYR 88 88 18182 1 . TYR 89 89 18182 1 . GLN 90 90 18182 1 . CYS 91 91 18182 1 . HIS 92 92 18182 1 . SER 93 93 18182 1 . LEU 94 94 18182 1 . LYS 95 95 18182 1 . GLU 96 96 18182 1 . SER 97 97 18182 1 . PHE 98 98 18182 1 . LYS 99 99 18182 1 . GLN 100 100 18182 1 . LEU 101 101 18182 1 . ASP 102 102 18182 1 . THR 103 103 18182 1 . THR 104 104 18182 1 . LEU 105 105 18182 1 . LYS 106 106 18182 1 . TYR 107 107 18182 1 . PRO 108 108 18182 1 . TYR 109 109 18182 1 . LYS 110 110 18182 1 . SER 111 111 18182 1 . ARG 112 112 18182 1 . GLU 113 113 18182 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 18182 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_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 EEPVXEEVG _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID PTR _Entity.Nonpolymer_comp_label $chem_comp_PTR _Entity.Number_of_monomers 9 _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 1130.064 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1405 GLU . 18182 2 2 1406 GLU . 18182 2 3 1407 PRO . 18182 2 4 1408 VAL . 18182 2 5 1409 PTR . 18182 2 6 1410 GLU . 18182 2 7 1411 GLU . 18182 2 8 1412 VAL . 18182 2 9 1413 GLY . 18182 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 . GLU 1 1 18182 2 . GLU 2 2 18182 2 . PRO 3 3 18182 2 . VAL 4 4 18182 2 . PTR 5 5 18182 2 . GLU 6 6 18182 2 . GLU 7 7 18182 2 . VAL 8 8 18182 2 . GLY 9 9 18182 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 18182 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18182 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18182 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 18182 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 18182 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18182 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PTR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PTR _Chem_comp.Entry_ID 18182 _Chem_comp.ID PTR _Chem_comp.Provenance . _Chem_comp.Name O-PHOSPHOTYROSINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code . _Chem_comp.PDB_code PTR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code Y _Chem_comp.Three_letter_code PTR _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID TYR _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOTYROSINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C9 H12 N O6 P' _Chem_comp.Formula_weight 261.168 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jan 26 08:57:40 2012 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 18182 PTR c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18182 PTR DCWXELXMIBXGTH-QMMMGPOBSA-N InChIKey InChI 1.03 18182 PTR InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 InChI InChI 1.03 18182 PTR N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES_CANONICAL CACTVS 3.341 18182 PTR N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES CACTVS 3.341 18182 PTR O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O SMILES ACDLabs 10.04 18182 PTR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18182 PTR O-phosphono-L-tyrosine 'SYSTEMATIC NAME' ACDLabs 10.04 18182 PTR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N . N . . N . . N 0 . . . . no no . . . . 46.366 . 11.139 . -0.665 . 1.298 0.975 3.302 1 . 18182 PTR CA . CA . . C . . S 0 . . . . no no . . . . 44.969 . 11.616 . -0.749 . -0.036 0.399 3.512 2 . 18182 PTR C . C . . C . . N 0 . . . . no no . . . . 44.978 . 13.010 . -1.358 . -0.148 -0.106 4.928 3 . 18182 PTR O . O . . O . . N 0 . . . . no no . . . . 43.891 . 13.514 . -1.708 . 0.833 -0.507 5.505 4 . 18182 PTR OXT . OXT . . O . . N 0 . . . . no yes . . . . 46.088 . 13.575 . -1.497 . -1.339 -0.110 5.546 5 . 18182 PTR CB . CB . . C . . N 0 . . . . no no . . . . 44.332 . 11.618 . 0.644 . -0.250 -0.760 2.538 6 . 18182 PTR CG . CG . . C . . N 0 . . . . yes no . . . . 44.885 . 12.640 . 1.620 . -0.138 -0.254 1.123 7 . 18182 PTR CD1 . CD1 . . C . . N 0 . . . . yes no . . . . 45.913 . 12.302 . 2.506 . 1.089 -0.250 0.487 8 . 18182 PTR CD2 . CD2 . . C . . N 0 . . . . yes no . . . . 44.319 . 13.921 . 1.716 . -1.264 0.198 0.461 9 . 18182 PTR CE1 . CE1 . . C . . N 0 . . . . yes no . . . . 46.364 . 13.214 . 3.480 . 1.194 0.212 -0.810 10 . 18182 PTR CE2 . CE2 . . C . . N 0 . . . . yes no . . . . 44.753 . 14.849 . 2.683 . -1.163 0.668 -0.834 11 . 18182 PTR CZ . CZ . . C . . N 0 . . . . yes no . . . . 45.772 . 14.487 . 3.562 . 0.067 0.673 -1.474 12 . 18182 PTR OH . OH . . O . . N 0 . . . . no no . . . . 46.216 . 15.385 . 4.594 . 0.168 1.129 -2.750 13 . 18182 PTR P . P . . P . . N 0 . . . . no no . . . . 45.382 . 15.884 . 5.757 . -0.065 -0.136 -3.717 14 . 18182 PTR O1P . O1P . . O . . N 0 . . . . no no . . . . 44.096 . 16.422 . 5.355 . -1.409 -0.705 -3.467 15 . 18182 PTR O2P . O2P . . O . . N 0 . . . . no no . . . . 46.274 . 16.938 . 6.218 . 0.040 0.334 -5.253 16 . 18182 PTR O3P . O3P . . O . . N 0 . . . . no no . . . . 45.279 . 14.830 . 6.778 . 1.053 -1.253 -3.419 17 . 18182 PTR H . H . . H . . N 0 . . . . no no . . . . 46.360 . 10.204 . -0.256 . 1.963 0.235 3.473 18 . 18182 PTR HN2 . HN2 . . H . . N 0 . . . . no yes . . . . 46.972 . 11.785 . -0.159 . 1.365 1.204 2.322 19 . 18182 PTR HA . HA . . H . . N 0 . . . . no no . . . . 44.360 . 10.939 . -1.392 . -0.793 1.164 3.339 20 . 18182 PTR HXT . HXT . . H . . N 0 . . . . no yes . . . . 46.093 . 14.445 . -1.877 . -1.411 -0.435 6.454 21 . 18182 PTR HB2 . HB2 . . H . . N 0 . . . . no no . . . . 43.226 . 11.735 . 0.556 . 0.506 -1.525 2.711 22 . 18182 PTR HB3 . HB3 . . H . . N 0 . . . . no no . . . . 44.388 . 10.597 . 1.089 . -1.241 -1.187 2.694 23 . 18182 PTR HD1 . HD1 . . H . . N 0 . . . . no no . . . . 46.374 . 11.302 . 2.435 . 1.966 -0.609 1.004 24 . 18182 PTR HD2 . HD2 . . H . . N 0 . . . . no no . . . . 43.515 . 14.204 . 1.015 . -2.222 0.194 0.959 25 . 18182 PTR HE1 . HE1 . . H . . N 0 . . . . no no . . . . 47.174 . 12.933 . 4.173 . 2.154 0.216 -1.306 26 . 18182 PTR HE2 . HE2 . . H . . N 0 . . . . no no . . . . 44.298 . 15.851 . 2.751 . -2.041 1.026 -1.349 27 . 18182 PTR HO2P . HO2P . . H . . N 0 . . . . no no . . . . 45.751 . 17.250 . 6.947 . -0.105 -0.451 -5.797 28 . 18182 PTR HO3P . HO3P . . H . . N 0 . . . . no no . . . . 44.756 . 15.142 . 7.507 . 1.911 -0.843 -3.593 29 . 18182 PTR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 18182 PTR 2 . SING N H no N 2 . 18182 PTR 3 . SING N HN2 no N 3 . 18182 PTR 4 . SING CA C no N 4 . 18182 PTR 5 . SING CA CB no N 5 . 18182 PTR 6 . SING CA HA no N 6 . 18182 PTR 7 . DOUB C O no N 7 . 18182 PTR 8 . SING C OXT no N 8 . 18182 PTR 9 . SING OXT HXT no N 9 . 18182 PTR 10 . SING CB CG no N 10 . 18182 PTR 11 . SING CB HB2 no N 11 . 18182 PTR 12 . SING CB HB3 no N 12 . 18182 PTR 13 . DOUB CG CD1 yes N 13 . 18182 PTR 14 . SING CG CD2 yes N 14 . 18182 PTR 15 . SING CD1 CE1 yes N 15 . 18182 PTR 16 . SING CD1 HD1 no N 16 . 18182 PTR 17 . DOUB CD2 CE2 yes N 17 . 18182 PTR 18 . SING CD2 HD2 no N 18 . 18182 PTR 19 . DOUB CE1 CZ yes N 19 . 18182 PTR 20 . SING CE1 HE1 no N 20 . 18182 PTR 21 . SING CE2 CZ yes N 21 . 18182 PTR 22 . SING CE2 HE2 no N 22 . 18182 PTR 23 . SING CZ OH no N 23 . 18182 PTR 24 . SING OH P no N 24 . 18182 PTR 25 . DOUB P O1P no N 25 . 18182 PTR 26 . SING P O2P no N 26 . 18182 PTR 27 . SING P O3P no N 27 . 18182 PTR 28 . SING O2P HO2P no N 28 . 18182 PTR 29 . SING O3P HO3P no N 29 . 18182 PTR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18182 _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 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 18182 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . 3 . . mM . . . . 18182 1 3 'potassium phosphate' 'natural abundance' . . . . . . 5 . . mM . . . . 18182 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18182 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18182 1 6 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 18182 1 7 'sodium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 18182 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18182 1 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18182 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18182 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 18182 2 2 entity_2 'natural abundance' . . 2 $entity_2 . . 3 . . mM . . . . 18182 2 3 'potassium phosphate' 'natural abundance' . . . . . . 5 . . mM . . . . 18182 2 4 'sodium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 18182 2 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18182 2 6 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 18182 2 7 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18182 2 8 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18182 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18182 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 18182 1 pH 6.2 . pH 18182 1 pressure 1 . atm 18182 1 temperature 298 . K 18182 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 18182 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 18182 2 pH 6.2 . pH 18182 2 pressure 1 . atm 18182 2 temperature 298 . K 18182 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18182 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18182 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18182 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18182 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18182 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18182 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18182 _Software.ID 3 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18182 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 18182 3 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 18182 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18182 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 18182 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 18182 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18182 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18182 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18182 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18182 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18182 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18182 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18182 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18182 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18182 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18182 1 11 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18182 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18182 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 18182 _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 . . . . . . . . . 18182 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18182 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18182 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 18182 _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 2 '3D CBCA(CO)NH' . . . 18182 1 3 '3D HNCACB' . . . 18182 1 4 '3D HNCO' . . . 18182 1 5 '3D HCACO' . . . 18182 1 6 '3D HBHA(CO)NH' . . . 18182 1 7 '3D C(CO)NH' . . . 18182 1 8 '3D 1H-15N NOESY' . . . 18182 1 9 '3D H(CCO)NH' . . . 18182 1 10 '3D HCCH-TOCSY' . . . 18182 1 12 '3D 1H-13C NOESY' . . . 18182 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 SER HA H 1 4.415 0.002 . 1 . . . A 659 SER HA . 18182 1 2 . 1 1 1 1 SER HB2 H 1 3.826 0.004 . 2 . . . A 659 SER HB2 . 18182 1 3 . 1 1 1 1 SER HB3 H 1 3.826 0.004 . 2 . . . A 659 SER HB3 . 18182 1 4 . 1 1 1 1 SER HG H 1 8.467 0.004 . 1 . . . A 659 SER HG . 18182 1 5 . 1 1 1 1 SER C C 13 173.841 0.018 . 1 . . . A 659 SER C . 18182 1 6 . 1 1 1 1 SER CA C 13 58.555 0.107 . 1 . . . A 659 SER CA . 18182 1 7 . 1 1 1 1 SER CB C 13 63.988 0.030 . 1 . . . A 659 SER CB . 18182 1 8 . 1 1 1 1 SER N N 15 117.845 0.009 . 1 . . . A 659 SER N . 18182 1 9 . 1 1 2 2 ARG H H 1 8.295 0.003 . 1 . . . A 660 ARG H . 18182 1 10 . 1 1 2 2 ARG HA H 1 4.630 0.003 . 1 . . . A 660 ARG HA . 18182 1 11 . 1 1 2 2 ARG HB2 H 1 1.676 0.002 . 2 . . . A 660 ARG HB2 . 18182 1 12 . 1 1 2 2 ARG HB3 H 1 1.794 0.005 . 2 . . . A 660 ARG HB3 . 18182 1 13 . 1 1 2 2 ARG HG2 H 1 1.644 0.003 . 2 . . . A 660 ARG HG2 . 18182 1 14 . 1 1 2 2 ARG HG3 H 1 1.975 0.010 . 2 . . . A 660 ARG HG3 . 18182 1 15 . 1 1 2 2 ARG HD2 H 1 3.132 0.004 . 2 . . . A 660 ARG HD2 . 18182 1 16 . 1 1 2 2 ARG HD3 H 1 3.132 0.004 . 2 . . . A 660 ARG HD3 . 18182 1 17 . 1 1 2 2 ARG HE H 1 7.223 0.001 . 1 . . . A 660 ARG HE . 18182 1 18 . 1 1 2 2 ARG C C 13 173.529 0.100 . 1 . . . A 660 ARG C . 18182 1 19 . 1 1 2 2 ARG CA C 13 53.869 0.150 . 1 . . . A 660 ARG CA . 18182 1 20 . 1 1 2 2 ARG CB C 13 30.428 0.150 . 1 . . . A 660 ARG CB . 18182 1 21 . 1 1 2 2 ARG CD C 13 43.210 0.150 . 1 . . . A 660 ARG CD . 18182 1 22 . 1 1 2 2 ARG N N 15 123.565 0.003 . 1 . . . A 660 ARG N . 18182 1 23 . 1 1 3 3 PRO HA H 1 4.672 0.003 . 1 . . . A 661 PRO HA . 18182 1 24 . 1 1 3 3 PRO HB2 H 1 1.862 0.002 . 2 . . . A 661 PRO HB2 . 18182 1 25 . 1 1 3 3 PRO HB3 H 1 2.326 0.003 . 2 . . . A 661 PRO HB3 . 18182 1 26 . 1 1 3 3 PRO HG2 H 1 1.978 0.002 . 2 . . . A 661 PRO HG2 . 18182 1 27 . 1 1 3 3 PRO HG3 H 1 2.000 0.001 . 2 . . . A 661 PRO HG3 . 18182 1 28 . 1 1 3 3 PRO HD2 H 1 3.546 0.003 . 2 . . . A 661 PRO HD2 . 18182 1 29 . 1 1 3 3 PRO HD3 H 1 3.781 0.002 . 2 . . . A 661 PRO HD3 . 18182 1 30 . 1 1 4 4 PRO HA H 1 4.412 0.004 . 1 . . . A 662 PRO HA . 18182 1 31 . 1 1 4 4 PRO HB2 H 1 1.916 0.004 . 2 . . . A 662 PRO HB2 . 18182 1 32 . 1 1 4 4 PRO HB3 H 1 2.291 0.004 . 2 . . . A 662 PRO HB3 . 18182 1 33 . 1 1 4 4 PRO HG2 H 1 2.004 0.002 . 2 . . . A 662 PRO HG2 . 18182 1 34 . 1 1 4 4 PRO HG3 H 1 2.004 0.002 . 2 . . . A 662 PRO HG3 . 18182 1 35 . 1 1 4 4 PRO HD2 H 1 3.623 0.004 . 2 . . . A 662 PRO HD2 . 18182 1 36 . 1 1 4 4 PRO HD3 H 1 3.780 0.003 . 2 . . . A 662 PRO HD3 . 18182 1 37 . 1 1 4 4 PRO C C 13 177.096 0.011 . 1 . . . A 662 PRO C . 18182 1 38 . 1 1 4 4 PRO CA C 13 63.296 0.020 . 1 . . . A 662 PRO CA . 18182 1 39 . 1 1 4 4 PRO CB C 13 32.022 0.050 . 1 . . . A 662 PRO CB . 18182 1 40 . 1 1 4 4 PRO CG C 13 27.583 0.150 . 1 . . . A 662 PRO CG . 18182 1 41 . 1 1 4 4 PRO CD C 13 50.601 0.150 . 1 . . . A 662 PRO CD . 18182 1 42 . 1 1 5 5 SER H H 1 8.406 0.003 . 1 . . . A 663 SER H . 18182 1 43 . 1 1 5 5 SER HA H 1 4.374 0.003 . 1 . . . A 663 SER HA . 18182 1 44 . 1 1 5 5 SER HB2 H 1 3.884 0.006 . 2 . . . A 663 SER HB2 . 18182 1 45 . 1 1 5 5 SER HB3 H 1 3.884 0.006 . 2 . . . A 663 SER HB3 . 18182 1 46 . 1 1 5 5 SER C C 13 174.815 0.014 . 1 . . . A 663 SER C . 18182 1 47 . 1 1 5 5 SER CA C 13 58.797 0.076 . 1 . . . A 663 SER CA . 18182 1 48 . 1 1 5 5 SER CB C 13 64.024 0.132 . 1 . . . A 663 SER CB . 18182 1 49 . 1 1 5 5 SER N N 15 116.025 0.009 . 1 . . . A 663 SER N . 18182 1 50 . 1 1 6 6 ARG H H 1 8.371 0.002 . 1 . . . A 664 ARG H . 18182 1 51 . 1 1 6 6 ARG HA H 1 4.379 0.001 . 1 . . . A 664 ARG HA . 18182 1 52 . 1 1 6 6 ARG HB2 H 1 1.762 0.004 . 2 . . . A 664 ARG HB2 . 18182 1 53 . 1 1 6 6 ARG HB3 H 1 1.885 0.003 . 2 . . . A 664 ARG HB3 . 18182 1 54 . 1 1 6 6 ARG HG2 H 1 1.617 0.005 . 2 . . . A 664 ARG HG2 . 18182 1 55 . 1 1 6 6 ARG HG3 H 1 1.617 0.005 . 2 . . . A 664 ARG HG3 . 18182 1 56 . 1 1 6 6 ARG HD2 H 1 3.177 0.005 . 2 . . . A 664 ARG HD2 . 18182 1 57 . 1 1 6 6 ARG HD3 H 1 3.177 0.005 . 2 . . . A 664 ARG HD3 . 18182 1 58 . 1 1 6 6 ARG HE H 1 7.270 0.001 . 1 . . . A 664 ARG HE . 18182 1 59 . 1 1 6 6 ARG C C 13 175.958 0.100 . 1 . . . A 664 ARG C . 18182 1 60 . 1 1 6 6 ARG CA C 13 56.136 0.011 . 1 . . . A 664 ARG CA . 18182 1 61 . 1 1 6 6 ARG CB C 13 30.712 0.048 . 1 . . . A 664 ARG CB . 18182 1 62 . 1 1 6 6 ARG CG C 13 27.155 0.150 . 1 . . . A 664 ARG CG . 18182 1 63 . 1 1 6 6 ARG CD C 13 43.238 0.065 . 1 . . . A 664 ARG CD . 18182 1 64 . 1 1 6 6 ARG N N 15 122.062 0.030 . 1 . . . A 664 ARG N . 18182 1 65 . 1 1 7 7 GLU H H 1 8.352 0.002 . 1 . . . A 665 GLU H . 18182 1 66 . 1 1 7 7 GLU HA H 1 4.313 0.003 . 1 . . . A 665 GLU HA . 18182 1 67 . 1 1 7 7 GLU HB2 H 1 1.888 0.005 . 2 . . . A 665 GLU HB2 . 18182 1 68 . 1 1 7 7 GLU HB3 H 1 2.029 0.005 . 2 . . . A 665 GLU HB3 . 18182 1 69 . 1 1 7 7 GLU HG2 H 1 2.235 0.002 . 2 . . . A 665 GLU HG2 . 18182 1 70 . 1 1 7 7 GLU HG3 H 1 2.235 0.002 . 2 . . . A 665 GLU HG3 . 18182 1 71 . 1 1 7 7 GLU C C 13 175.842 0.051 . 1 . . . A 665 GLU C . 18182 1 72 . 1 1 7 7 GLU CA C 13 56.410 0.093 . 1 . . . A 665 GLU CA . 18182 1 73 . 1 1 7 7 GLU CB C 13 29.972 0.008 . 1 . . . A 665 GLU CB . 18182 1 74 . 1 1 7 7 GLU CG C 13 36.056 0.150 . 1 . . . A 665 GLU CG . 18182 1 75 . 1 1 7 7 GLU N N 15 122.160 0.100 . 1 . . . A 665 GLU N . 18182 1 76 . 1 1 8 8 ILE H H 1 7.938 0.004 . 1 . . . A 666 ILE H . 18182 1 77 . 1 1 8 8 ILE HA H 1 3.840 0.003 . 1 . . . A 666 ILE HA . 18182 1 78 . 1 1 8 8 ILE HB H 1 1.415 0.006 . 1 . . . A 666 ILE HB . 18182 1 79 . 1 1 8 8 ILE HG12 H 1 0.952 0.004 . 2 . . . A 666 ILE HG12 . 18182 1 80 . 1 1 8 8 ILE HG13 H 1 1.378 0.005 . 2 . . . A 666 ILE HG13 . 18182 1 81 . 1 1 8 8 ILE HG21 H 1 0.295 0.006 . 1 . . . A 666 ILE HG21 . 18182 1 82 . 1 1 8 8 ILE HG22 H 1 0.295 0.006 . 1 . . . A 666 ILE HG22 . 18182 1 83 . 1 1 8 8 ILE HG23 H 1 0.295 0.006 . 1 . . . A 666 ILE HG23 . 18182 1 84 . 1 1 8 8 ILE HD11 H 1 0.847 0.005 . 1 . . . A 666 ILE HD11 . 18182 1 85 . 1 1 8 8 ILE HD12 H 1 0.847 0.005 . 1 . . . A 666 ILE HD12 . 18182 1 86 . 1 1 8 8 ILE HD13 H 1 0.847 0.005 . 1 . . . A 666 ILE HD13 . 18182 1 87 . 1 1 8 8 ILE C C 13 174.373 0.010 . 1 . . . A 666 ILE C . 18182 1 88 . 1 1 8 8 ILE CA C 13 60.927 0.052 . 1 . . . A 666 ILE CA . 18182 1 89 . 1 1 8 8 ILE CB C 13 39.541 0.071 . 1 . . . A 666 ILE CB . 18182 1 90 . 1 1 8 8 ILE CG1 C 13 27.782 0.150 . 1 . . . A 666 ILE CG1 . 18182 1 91 . 1 1 8 8 ILE CG2 C 13 17.127 0.089 . 1 . . . A 666 ILE CG2 . 18182 1 92 . 1 1 8 8 ILE CD1 C 13 12.892 0.150 . 1 . . . A 666 ILE CD1 . 18182 1 93 . 1 1 8 8 ILE N N 15 123.828 0.041 . 1 . . . A 666 ILE N . 18182 1 94 . 1 1 9 9 ASP H H 1 8.111 0.003 . 1 . . . A 667 ASP H . 18182 1 95 . 1 1 9 9 ASP HA H 1 4.619 0.003 . 1 . . . A 667 ASP HA . 18182 1 96 . 1 1 9 9 ASP HB2 H 1 2.512 0.004 . 2 . . . A 667 ASP HB2 . 18182 1 97 . 1 1 9 9 ASP HB3 H 1 2.732 0.003 . 2 . . . A 667 ASP HB3 . 18182 1 98 . 1 1 9 9 ASP C C 13 177.006 0.006 . 1 . . . A 667 ASP C . 18182 1 99 . 1 1 9 9 ASP CA C 13 52.052 0.077 . 1 . . . A 667 ASP CA . 18182 1 100 . 1 1 9 9 ASP CB C 13 40.364 0.121 . 1 . . . A 667 ASP CB . 18182 1 101 . 1 1 9 9 ASP N N 15 124.338 0.005 . 1 . . . A 667 ASP N . 18182 1 102 . 1 1 10 10 TYR H H 1 8.495 0.003 . 1 . . . A 668 TYR H . 18182 1 103 . 1 1 10 10 TYR HA H 1 4.188 0.004 . 1 . . . A 668 TYR HA . 18182 1 104 . 1 1 10 10 TYR HB2 H 1 1.305 0.007 . 2 . . . A 668 TYR HB2 . 18182 1 105 . 1 1 10 10 TYR HB3 H 1 2.145 0.005 . 2 . . . A 668 TYR HB3 . 18182 1 106 . 1 1 10 10 TYR HD1 H 1 6.855 0.005 . 3 . . . A 668 TYR HD1 . 18182 1 107 . 1 1 10 10 TYR HD2 H 1 6.855 0.005 . 3 . . . A 668 TYR HD2 . 18182 1 108 . 1 1 10 10 TYR HE1 H 1 6.690 0.004 . 3 . . . A 668 TYR HE1 . 18182 1 109 . 1 1 10 10 TYR HE2 H 1 6.690 0.004 . 3 . . . A 668 TYR HE2 . 18182 1 110 . 1 1 10 10 TYR C C 13 175.947 0.016 . 1 . . . A 668 TYR C . 18182 1 111 . 1 1 10 10 TYR CA C 13 60.683 0.087 . 1 . . . A 668 TYR CA . 18182 1 112 . 1 1 10 10 TYR CB C 13 36.236 0.068 . 1 . . . A 668 TYR CB . 18182 1 113 . 1 1 10 10 TYR N N 15 125.199 0.009 . 1 . . . A 668 TYR N . 18182 1 114 . 1 1 11 11 THR H H 1 8.011 0.004 . 1 . . . A 669 THR H . 18182 1 115 . 1 1 11 11 THR HA H 1 4.148 0.004 . 1 . . . A 669 THR HA . 18182 1 116 . 1 1 11 11 THR HB H 1 4.301 0.003 . 1 . . . A 669 THR HB . 18182 1 117 . 1 1 11 11 THR HG21 H 1 1.418 0.002 . 1 . . . A 669 THR HG21 . 18182 1 118 . 1 1 11 11 THR HG22 H 1 1.418 0.002 . 1 . . . A 669 THR HG22 . 18182 1 119 . 1 1 11 11 THR HG23 H 1 1.418 0.002 . 1 . . . A 669 THR HG23 . 18182 1 120 . 1 1 11 11 THR C C 13 175.184 0.002 . 1 . . . A 669 THR C . 18182 1 121 . 1 1 11 11 THR CA C 13 65.022 0.057 . 1 . . . A 669 THR CA . 18182 1 122 . 1 1 11 11 THR CB C 13 69.280 0.046 . 1 . . . A 669 THR CB . 18182 1 123 . 1 1 11 11 THR CG2 C 13 22.028 0.150 . 1 . . . A 669 THR CG2 . 18182 1 124 . 1 1 11 11 THR N N 15 108.617 0.025 . 1 . . . A 669 THR N . 18182 1 125 . 1 1 12 12 ALA H H 1 7.411 0.004 . 1 . . . A 670 ALA H . 18182 1 126 . 1 1 12 12 ALA HA H 1 4.076 0.003 . 1 . . . A 670 ALA HA . 18182 1 127 . 1 1 12 12 ALA HB1 H 1 0.982 0.004 . 1 . . . A 670 ALA HB1 . 18182 1 128 . 1 1 12 12 ALA HB2 H 1 0.982 0.004 . 1 . . . A 670 ALA HB2 . 18182 1 129 . 1 1 12 12 ALA HB3 H 1 0.982 0.004 . 1 . . . A 670 ALA HB3 . 18182 1 130 . 1 1 12 12 ALA C C 13 177.815 0.007 . 1 . . . A 670 ALA C . 18182 1 131 . 1 1 12 12 ALA CA C 13 52.556 0.035 . 1 . . . A 670 ALA CA . 18182 1 132 . 1 1 12 12 ALA CB C 13 18.874 0.026 . 1 . . . A 670 ALA CB . 18182 1 133 . 1 1 12 12 ALA N N 15 121.275 0.047 . 1 . . . A 670 ALA N . 18182 1 134 . 1 1 13 13 TYR H H 1 7.538 0.003 . 1 . . . A 671 TYR H . 18182 1 135 . 1 1 13 13 TYR HA H 1 4.301 0.003 . 1 . . . A 671 TYR HA . 18182 1 136 . 1 1 13 13 TYR HB2 H 1 3.789 0.007 . 2 . . . A 671 TYR HB2 . 18182 1 137 . 1 1 13 13 TYR HB3 H 1 3.789 0.007 . 2 . . . A 671 TYR HB3 . 18182 1 138 . 1 1 13 13 TYR HD1 H 1 7.030 0.003 . 3 . . . A 671 TYR HD1 . 18182 1 139 . 1 1 13 13 TYR HD2 H 1 7.030 0.003 . 3 . . . A 671 TYR HD2 . 18182 1 140 . 1 1 13 13 TYR HE1 H 1 6.723 0.003 . 3 . . . A 671 TYR HE1 . 18182 1 141 . 1 1 13 13 TYR HE2 H 1 6.723 0.003 . 3 . . . A 671 TYR HE2 . 18182 1 142 . 1 1 13 13 TYR C C 13 176.698 0.100 . 1 . . . A 671 TYR C . 18182 1 143 . 1 1 13 13 TYR CA C 13 56.986 0.150 . 1 . . . A 671 TYR CA . 18182 1 144 . 1 1 13 13 TYR CB C 13 36.815 0.150 . 1 . . . A 671 TYR CB . 18182 1 145 . 1 1 13 13 TYR N N 15 117.883 0.006 . 1 . . . A 671 TYR N . 18182 1 146 . 1 1 14 14 PRO HA H 1 4.356 0.010 . 1 . . . A 672 PRO HA . 18182 1 147 . 1 1 14 14 PRO HB2 H 1 1.959 0.010 . 2 . . . A 672 PRO HB2 . 18182 1 148 . 1 1 14 14 PRO HB3 H 1 2.171 0.005 . 2 . . . A 672 PRO HB3 . 18182 1 149 . 1 1 14 14 PRO HG2 H 1 1.443 0.010 . 2 . . . A 672 PRO HG2 . 18182 1 150 . 1 1 14 14 PRO HG3 H 1 1.443 0.010 . 2 . . . A 672 PRO HG3 . 18182 1 151 . 1 1 14 14 PRO HD2 H 1 2.898 0.010 . 2 . . . A 672 PRO HD2 . 18182 1 152 . 1 1 14 14 PRO HD3 H 1 2.898 0.010 . 2 . . . A 672 PRO HD3 . 18182 1 153 . 1 1 14 14 PRO C C 13 173.452 0.100 . 1 . . . A 672 PRO C . 18182 1 154 . 1 1 14 14 PRO CA C 13 64.323 0.002 . 1 . . . A 672 PRO CA . 18182 1 155 . 1 1 14 14 PRO CB C 13 31.223 0.076 . 1 . . . A 672 PRO CB . 18182 1 156 . 1 1 14 14 PRO CG C 13 27.653 0.150 . 1 . . . A 672 PRO CG . 18182 1 157 . 1 1 15 15 TRP H H 1 6.229 0.003 . 1 . . . A 673 TRP H . 18182 1 158 . 1 1 15 15 TRP HA H 1 4.792 0.005 . 1 . . . A 673 TRP HA . 18182 1 159 . 1 1 15 15 TRP HB2 H 1 2.763 0.004 . 2 . . . A 673 TRP HB2 . 18182 1 160 . 1 1 15 15 TRP HB3 H 1 3.761 0.007 . 2 . . . A 673 TRP HB3 . 18182 1 161 . 1 1 15 15 TRP HD1 H 1 7.331 0.004 . 1 . . . A 673 TRP HD1 . 18182 1 162 . 1 1 15 15 TRP HE1 H 1 9.485 0.003 . 1 . . . A 673 TRP HE1 . 18182 1 163 . 1 1 15 15 TRP HE3 H 1 6.017 0.004 . 1 . . . A 673 TRP HE3 . 18182 1 164 . 1 1 15 15 TRP HZ2 H 1 6.687 0.003 . 1 . . . A 673 TRP HZ2 . 18182 1 165 . 1 1 15 15 TRP HZ3 H 1 6.523 0.003 . 1 . . . A 673 TRP HZ3 . 18182 1 166 . 1 1 15 15 TRP HH2 H 1 6.478 0.010 . 1 . . . A 673 TRP HH2 . 18182 1 167 . 1 1 15 15 TRP C C 13 175.577 0.007 . 1 . . . A 673 TRP C . 18182 1 168 . 1 1 15 15 TRP CA C 13 53.157 0.155 . 1 . . . A 673 TRP CA . 18182 1 169 . 1 1 15 15 TRP CB C 13 32.373 0.011 . 1 . . . A 673 TRP CB . 18182 1 170 . 1 1 15 15 TRP N N 15 110.044 0.023 . 1 . . . A 673 TRP N . 18182 1 171 . 1 1 16 16 PHE H H 1 7.625 0.002 . 1 . . . A 674 PHE H . 18182 1 172 . 1 1 16 16 PHE HA H 1 5.171 0.006 . 1 . . . A 674 PHE HA . 18182 1 173 . 1 1 16 16 PHE HB2 H 1 2.646 0.006 . 2 . . . A 674 PHE HB2 . 18182 1 174 . 1 1 16 16 PHE HB3 H 1 3.192 0.008 . 2 . . . A 674 PHE HB3 . 18182 1 175 . 1 1 16 16 PHE HD1 H 1 7.203 0.003 . 3 . . . A 674 PHE HD1 . 18182 1 176 . 1 1 16 16 PHE HD2 H 1 7.203 0.003 . 3 . . . A 674 PHE HD2 . 18182 1 177 . 1 1 16 16 PHE HE1 H 1 7.460 0.003 . 3 . . . A 674 PHE HE1 . 18182 1 178 . 1 1 16 16 PHE HE2 H 1 7.460 0.003 . 3 . . . A 674 PHE HE2 . 18182 1 179 . 1 1 16 16 PHE HZ H 1 7.810 0.003 . 1 . . . A 674 PHE HZ . 18182 1 180 . 1 1 16 16 PHE C C 13 174.832 0.016 . 1 . . . A 674 PHE C . 18182 1 181 . 1 1 16 16 PHE CA C 13 59.872 0.040 . 1 . . . A 674 PHE CA . 18182 1 182 . 1 1 16 16 PHE CB C 13 40.208 0.121 . 1 . . . A 674 PHE CB . 18182 1 183 . 1 1 16 16 PHE N N 15 123.205 0.035 . 1 . . . A 674 PHE N . 18182 1 184 . 1 1 17 17 ALA H H 1 9.097 0.004 . 1 . . . A 675 ALA H . 18182 1 185 . 1 1 17 17 ALA HA H 1 4.948 0.007 . 1 . . . A 675 ALA HA . 18182 1 186 . 1 1 17 17 ALA HB1 H 1 1.222 0.004 . 1 . . . A 675 ALA HB1 . 18182 1 187 . 1 1 17 17 ALA HB2 H 1 1.222 0.004 . 1 . . . A 675 ALA HB2 . 18182 1 188 . 1 1 17 17 ALA HB3 H 1 1.222 0.004 . 1 . . . A 675 ALA HB3 . 18182 1 189 . 1 1 17 17 ALA C C 13 177.266 0.100 . 1 . . . A 675 ALA C . 18182 1 190 . 1 1 17 17 ALA CA C 13 51.268 0.150 . 1 . . . A 675 ALA CA . 18182 1 191 . 1 1 17 17 ALA CB C 13 22.428 0.150 . 1 . . . A 675 ALA CB . 18182 1 192 . 1 1 17 17 ALA N N 15 130.669 0.031 . 1 . . . A 675 ALA N . 18182 1 193 . 1 1 18 18 GLY HA2 H 1 3.511 0.003 . 2 . . . A 676 GLY HA2 . 18182 1 194 . 1 1 18 18 GLY HA3 H 1 3.848 0.005 . 2 . . . A 676 GLY HA3 . 18182 1 195 . 1 1 18 18 GLY C C 13 174.230 0.100 . 1 . . . A 676 GLY C . 18182 1 196 . 1 1 18 18 GLY CA C 13 46.930 0.030 . 1 . . . A 676 GLY CA . 18182 1 197 . 1 1 19 19 ASN H H 1 8.682 0.004 . 1 . . . A 677 ASN H . 18182 1 198 . 1 1 19 19 ASN HA H 1 4.894 0.002 . 1 . . . A 677 ASN HA . 18182 1 199 . 1 1 19 19 ASN HB2 H 1 2.809 0.002 . 2 . . . A 677 ASN HB2 . 18182 1 200 . 1 1 19 19 ASN HB3 H 1 2.809 0.002 . 2 . . . A 677 ASN HB3 . 18182 1 201 . 1 1 19 19 ASN HD21 H 1 7.456 0.003 . 2 . . . A 677 ASN HD21 . 18182 1 202 . 1 1 19 19 ASN HD22 H 1 6.772 0.001 . 2 . . . A 677 ASN HD22 . 18182 1 203 . 1 1 19 19 ASN C C 13 174.597 0.013 . 1 . . . A 677 ASN C . 18182 1 204 . 1 1 19 19 ASN CA C 13 52.942 0.062 . 1 . . . A 677 ASN CA . 18182 1 205 . 1 1 19 19 ASN CB C 13 36.959 0.055 . 1 . . . A 677 ASN CB . 18182 1 206 . 1 1 19 19 ASN N N 15 124.910 0.011 . 1 . . . A 677 ASN N . 18182 1 207 . 1 1 19 19 ASN ND2 N 15 110.574 0.003 . 1 . . . A 677 ASN ND2 . 18182 1 208 . 1 1 20 20 MET H H 1 7.006 0.004 . 1 . . . A 678 MET H . 18182 1 209 . 1 1 20 20 MET HA H 1 4.115 0.004 . 1 . . . A 678 MET HA . 18182 1 210 . 1 1 20 20 MET HB2 H 1 1.451 0.003 . 2 . . . A 678 MET HB2 . 18182 1 211 . 1 1 20 20 MET HB3 H 1 1.947 0.006 . 2 . . . A 678 MET HB3 . 18182 1 212 . 1 1 20 20 MET HG2 H 1 2.359 0.003 . 2 . . . A 678 MET HG2 . 18182 1 213 . 1 1 20 20 MET HG3 H 1 2.454 0.001 . 2 . . . A 678 MET HG3 . 18182 1 214 . 1 1 20 20 MET HE1 H 1 1.915 0.003 . 1 . . . A 678 MET HE1 . 18182 1 215 . 1 1 20 20 MET HE2 H 1 1.915 0.003 . 1 . . . A 678 MET HE2 . 18182 1 216 . 1 1 20 20 MET HE3 H 1 1.915 0.003 . 1 . . . A 678 MET HE3 . 18182 1 217 . 1 1 20 20 MET C C 13 175.451 0.001 . 1 . . . A 678 MET C . 18182 1 218 . 1 1 20 20 MET CA C 13 56.675 0.111 . 1 . . . A 678 MET CA . 18182 1 219 . 1 1 20 20 MET CB C 13 35.208 0.053 . 1 . . . A 678 MET CB . 18182 1 220 . 1 1 20 20 MET CG C 13 31.526 0.150 . 1 . . . A 678 MET CG . 18182 1 221 . 1 1 20 20 MET N N 15 122.347 0.008 . 1 . . . A 678 MET N . 18182 1 222 . 1 1 21 21 GLU H H 1 8.761 0.005 . 1 . . . A 679 GLU H . 18182 1 223 . 1 1 21 21 GLU HA H 1 4.291 0.005 . 1 . . . A 679 GLU HA . 18182 1 224 . 1 1 21 21 GLU HB2 H 1 2.079 0.004 . 2 . . . A 679 GLU HB2 . 18182 1 225 . 1 1 21 21 GLU HB3 H 1 2.314 0.001 . 2 . . . A 679 GLU HB3 . 18182 1 226 . 1 1 21 21 GLU HG2 H 1 2.404 0.004 . 2 . . . A 679 GLU HG2 . 18182 1 227 . 1 1 21 21 GLU HG3 H 1 2.443 0.010 . 2 . . . A 679 GLU HG3 . 18182 1 228 . 1 1 21 21 GLU C C 13 178.232 0.003 . 1 . . . A 679 GLU C . 18182 1 229 . 1 1 21 21 GLU CA C 13 56.127 0.078 . 1 . . . A 679 GLU CA . 18182 1 230 . 1 1 21 21 GLU CB C 13 30.932 0.075 . 1 . . . A 679 GLU CB . 18182 1 231 . 1 1 21 21 GLU CG C 13 36.732 0.150 . 1 . . . A 679 GLU CG . 18182 1 232 . 1 1 21 21 GLU N N 15 124.989 0.011 . 1 . . . A 679 GLU N . 18182 1 233 . 1 1 22 22 ARG H H 1 9.406 0.003 . 1 . . . A 680 ARG H . 18182 1 234 . 1 1 22 22 ARG HA H 1 3.336 0.003 . 1 . . . A 680 ARG HA . 18182 1 235 . 1 1 22 22 ARG HB2 H 1 2.001 0.005 . 2 . . . A 680 ARG HB2 . 18182 1 236 . 1 1 22 22 ARG HB3 H 1 2.001 0.005 . 2 . . . A 680 ARG HB3 . 18182 1 237 . 1 1 22 22 ARG HG2 H 1 1.211 0.010 . 2 . . . A 680 ARG HG2 . 18182 1 238 . 1 1 22 22 ARG HG3 H 1 1.489 0.004 . 2 . . . A 680 ARG HG3 . 18182 1 239 . 1 1 22 22 ARG HD2 H 1 2.714 0.003 . 2 . . . A 680 ARG HD2 . 18182 1 240 . 1 1 22 22 ARG HD3 H 1 3.034 0.002 . 2 . . . A 680 ARG HD3 . 18182 1 241 . 1 1 22 22 ARG HE H 1 7.700 0.003 . 1 . . . A 680 ARG HE . 18182 1 242 . 1 1 22 22 ARG C C 13 177.707 0.011 . 1 . . . A 680 ARG C . 18182 1 243 . 1 1 22 22 ARG CA C 13 61.044 0.040 . 1 . . . A 680 ARG CA . 18182 1 244 . 1 1 22 22 ARG CB C 13 30.057 0.152 . 1 . . . A 680 ARG CB . 18182 1 245 . 1 1 22 22 ARG CG C 13 27.808 0.150 . 1 . . . A 680 ARG CG . 18182 1 246 . 1 1 22 22 ARG CD C 13 42.497 0.150 . 1 . . . A 680 ARG CD . 18182 1 247 . 1 1 22 22 ARG N N 15 125.521 0.009 . 1 . . . A 680 ARG N . 18182 1 248 . 1 1 23 23 GLN H H 1 9.048 0.004 . 1 . . . A 681 GLN H . 18182 1 249 . 1 1 23 23 GLN HA H 1 4.065 0.003 . 1 . . . A 681 GLN HA . 18182 1 250 . 1 1 23 23 GLN HB2 H 1 2.013 0.010 . 2 . . . A 681 GLN HB2 . 18182 1 251 . 1 1 23 23 GLN HB3 H 1 2.133 0.008 . 2 . . . A 681 GLN HB3 . 18182 1 252 . 1 1 23 23 GLN HG2 H 1 2.373 0.004 . 2 . . . A 681 GLN HG2 . 18182 1 253 . 1 1 23 23 GLN HG3 H 1 2.373 0.004 . 2 . . . A 681 GLN HG3 . 18182 1 254 . 1 1 23 23 GLN HE21 H 1 7.530 0.010 . 2 . . . A 681 GLN HE21 . 18182 1 255 . 1 1 23 23 GLN HE22 H 1 6.954 0.001 . 2 . . . A 681 GLN HE22 . 18182 1 256 . 1 1 23 23 GLN C C 13 178.317 0.006 . 1 . . . A 681 GLN C . 18182 1 257 . 1 1 23 23 GLN CA C 13 59.751 0.042 . 1 . . . A 681 GLN CA . 18182 1 258 . 1 1 23 23 GLN CB C 13 27.784 0.076 . 1 . . . A 681 GLN CB . 18182 1 259 . 1 1 23 23 GLN CG C 13 33.938 0.073 . 1 . . . A 681 GLN CG . 18182 1 260 . 1 1 23 23 GLN N N 15 117.320 0.008 . 1 . . . A 681 GLN N . 18182 1 261 . 1 1 24 24 GLN H H 1 7.182 0.003 . 1 . . . A 682 GLN H . 18182 1 262 . 1 1 24 24 GLN HA H 1 4.121 0.004 . 1 . . . A 682 GLN HA . 18182 1 263 . 1 1 24 24 GLN HB2 H 1 2.015 0.004 . 2 . . . A 682 GLN HB2 . 18182 1 264 . 1 1 24 24 GLN HB3 H 1 2.141 0.002 . 2 . . . A 682 GLN HB3 . 18182 1 265 . 1 1 24 24 GLN HG2 H 1 2.524 0.005 . 2 . . . A 682 GLN HG2 . 18182 1 266 . 1 1 24 24 GLN HG3 H 1 2.524 0.005 . 2 . . . A 682 GLN HG3 . 18182 1 267 . 1 1 24 24 GLN HE21 H 1 7.535 0.001 . 2 . . . A 682 GLN HE21 . 18182 1 268 . 1 1 24 24 GLN HE22 H 1 6.965 0.010 . 2 . . . A 682 GLN HE22 . 18182 1 269 . 1 1 24 24 GLN C C 13 178.190 0.020 . 1 . . . A 682 GLN C . 18182 1 270 . 1 1 24 24 GLN CA C 13 58.743 0.118 . 1 . . . A 682 GLN CA . 18182 1 271 . 1 1 24 24 GLN CB C 13 28.315 0.034 . 1 . . . A 682 GLN CB . 18182 1 272 . 1 1 24 24 GLN CG C 13 33.813 0.051 . 1 . . . A 682 GLN CG . 18182 1 273 . 1 1 24 24 GLN N N 15 117.909 0.008 . 1 . . . A 682 GLN N . 18182 1 274 . 1 1 24 24 GLN NE2 N 15 111.794 0.100 . 1 . . . A 682 GLN NE2 . 18182 1 275 . 1 1 25 25 THR H H 1 7.903 0.002 . 1 . . . A 683 THR H . 18182 1 276 . 1 1 25 25 THR HA H 1 3.681 0.004 . 1 . . . A 683 THR HA . 18182 1 277 . 1 1 25 25 THR HB H 1 4.328 0.004 . 1 . . . A 683 THR HB . 18182 1 278 . 1 1 25 25 THR HG21 H 1 1.230 0.004 . 1 . . . A 683 THR HG21 . 18182 1 279 . 1 1 25 25 THR HG22 H 1 1.230 0.004 . 1 . . . A 683 THR HG22 . 18182 1 280 . 1 1 25 25 THR HG23 H 1 1.230 0.004 . 1 . . . A 683 THR HG23 . 18182 1 281 . 1 1 25 25 THR C C 13 175.786 0.100 . 1 . . . A 683 THR C . 18182 1 282 . 1 1 25 25 THR CA C 13 67.702 0.150 . 1 . . . A 683 THR CA . 18182 1 283 . 1 1 25 25 THR CB C 13 68.000 0.150 . 1 . . . A 683 THR CB . 18182 1 284 . 1 1 25 25 THR CG2 C 13 22.631 0.150 . 1 . . . A 683 THR CG2 . 18182 1 285 . 1 1 25 25 THR N N 15 117.007 0.038 . 1 . . . A 683 THR N . 18182 1 286 . 1 1 26 26 ASP H H 1 8.430 0.003 . 1 . . . A 684 ASP H . 18182 1 287 . 1 1 26 26 ASP HA H 1 4.280 0.002 . 1 . . . A 684 ASP HA . 18182 1 288 . 1 1 26 26 ASP HB2 H 1 2.581 0.005 . 2 . . . A 684 ASP HB2 . 18182 1 289 . 1 1 26 26 ASP HB3 H 1 2.722 0.005 . 2 . . . A 684 ASP HB3 . 18182 1 290 . 1 1 26 26 ASP C C 13 178.269 0.007 . 1 . . . A 684 ASP C . 18182 1 291 . 1 1 26 26 ASP CA C 13 58.136 0.036 . 1 . . . A 684 ASP CA . 18182 1 292 . 1 1 26 26 ASP CB C 13 40.178 0.076 . 1 . . . A 684 ASP CB . 18182 1 293 . 1 1 26 26 ASP N N 15 122.824 0.030 . 1 . . . A 684 ASP N . 18182 1 294 . 1 1 27 27 ASN H H 1 7.647 0.004 . 1 . . . A 685 ASN H . 18182 1 295 . 1 1 27 27 ASN HA H 1 4.359 0.004 . 1 . . . A 685 ASN HA . 18182 1 296 . 1 1 27 27 ASN HB2 H 1 2.825 0.003 . 2 . . . A 685 ASN HB2 . 18182 1 297 . 1 1 27 27 ASN HB3 H 1 2.825 0.003 . 2 . . . A 685 ASN HB3 . 18182 1 298 . 1 1 27 27 ASN HD21 H 1 7.631 0.010 . 2 . . . A 685 ASN HD21 . 18182 1 299 . 1 1 27 27 ASN HD22 H 1 7.023 0.002 . 2 . . . A 685 ASN HD22 . 18182 1 300 . 1 1 27 27 ASN C C 13 177.065 0.025 . 1 . . . A 685 ASN C . 18182 1 301 . 1 1 27 27 ASN CA C 13 55.911 0.040 . 1 . . . A 685 ASN CA . 18182 1 302 . 1 1 27 27 ASN CB C 13 38.506 0.150 . 1 . . . A 685 ASN CB . 18182 1 303 . 1 1 27 27 ASN N N 15 115.634 0.001 . 1 . . . A 685 ASN N . 18182 1 304 . 1 1 28 28 LEU H H 1 8.093 0.003 . 1 . . . A 686 LEU H . 18182 1 305 . 1 1 28 28 LEU HA H 1 4.229 0.003 . 1 . . . A 686 LEU HA . 18182 1 306 . 1 1 28 28 LEU HB2 H 1 1.600 0.007 . 2 . . . A 686 LEU HB2 . 18182 1 307 . 1 1 28 28 LEU HB3 H 1 1.779 0.004 . 2 . . . A 686 LEU HB3 . 18182 1 308 . 1 1 28 28 LEU HG H 1 1.696 0.006 . 1 . . . A 686 LEU HG . 18182 1 309 . 1 1 28 28 LEU HD11 H 1 0.929 0.003 . 2 . . . A 686 LEU HD11 . 18182 1 310 . 1 1 28 28 LEU HD12 H 1 0.929 0.003 . 2 . . . A 686 LEU HD12 . 18182 1 311 . 1 1 28 28 LEU HD13 H 1 0.929 0.003 . 2 . . . A 686 LEU HD13 . 18182 1 312 . 1 1 28 28 LEU HD21 H 1 0.780 0.005 . 2 . . . A 686 LEU HD21 . 18182 1 313 . 1 1 28 28 LEU HD22 H 1 0.780 0.005 . 2 . . . A 686 LEU HD22 . 18182 1 314 . 1 1 28 28 LEU HD23 H 1 0.780 0.005 . 2 . . . A 686 LEU HD23 . 18182 1 315 . 1 1 28 28 LEU C C 13 179.502 0.004 . 1 . . . A 686 LEU C . 18182 1 316 . 1 1 28 28 LEU CA C 13 57.980 0.048 . 1 . . . A 686 LEU CA . 18182 1 317 . 1 1 28 28 LEU CB C 13 43.103 0.093 . 1 . . . A 686 LEU CB . 18182 1 318 . 1 1 28 28 LEU CG C 13 27.231 0.150 . 1 . . . A 686 LEU CG . 18182 1 319 . 1 1 28 28 LEU CD1 C 13 25.306 0.150 . 2 . . . A 686 LEU CD1 . 18182 1 320 . 1 1 28 28 LEU CD2 C 13 25.306 0.150 . 2 . . . A 686 LEU CD2 . 18182 1 321 . 1 1 28 28 LEU N N 15 120.594 0.009 . 1 . . . A 686 LEU N . 18182 1 322 . 1 1 29 29 LEU H H 1 8.386 0.003 . 1 . . . A 687 LEU H . 18182 1 323 . 1 1 29 29 LEU HA H 1 4.082 0.006 . 1 . . . A 687 LEU HA . 18182 1 324 . 1 1 29 29 LEU HB2 H 1 1.231 0.005 . 2 . . . A 687 LEU HB2 . 18182 1 325 . 1 1 29 29 LEU HB3 H 1 1.878 0.005 . 2 . . . A 687 LEU HB3 . 18182 1 326 . 1 1 29 29 LEU HG H 1 1.632 0.014 . 1 . . . A 687 LEU HG . 18182 1 327 . 1 1 29 29 LEU HD11 H 1 0.577 0.002 . 2 . . . A 687 LEU HD11 . 18182 1 328 . 1 1 29 29 LEU HD12 H 1 0.577 0.002 . 2 . . . A 687 LEU HD12 . 18182 1 329 . 1 1 29 29 LEU HD13 H 1 0.577 0.002 . 2 . . . A 687 LEU HD13 . 18182 1 330 . 1 1 29 29 LEU HD21 H 1 0.511 0.005 . 2 . . . A 687 LEU HD21 . 18182 1 331 . 1 1 29 29 LEU HD22 H 1 0.511 0.005 . 2 . . . A 687 LEU HD22 . 18182 1 332 . 1 1 29 29 LEU HD23 H 1 0.511 0.005 . 2 . . . A 687 LEU HD23 . 18182 1 333 . 1 1 29 29 LEU C C 13 178.910 0.017 . 1 . . . A 687 LEU C . 18182 1 334 . 1 1 29 29 LEU CA C 13 56.917 0.024 . 1 . . . A 687 LEU CA . 18182 1 335 . 1 1 29 29 LEU CB C 13 42.898 0.065 . 1 . . . A 687 LEU CB . 18182 1 336 . 1 1 29 29 LEU CG C 13 27.297 0.034 . 1 . . . A 687 LEU CG . 18182 1 337 . 1 1 29 29 LEU CD1 C 13 22.929 0.150 . 2 . . . A 687 LEU CD1 . 18182 1 338 . 1 1 29 29 LEU CD2 C 13 26.785 0.150 . 2 . . . A 687 LEU CD2 . 18182 1 339 . 1 1 29 29 LEU N N 15 115.149 0.045 . 1 . . . A 687 LEU N . 18182 1 340 . 1 1 30 30 LYS H H 1 7.752 0.004 . 1 . . . A 688 LYS H . 18182 1 341 . 1 1 30 30 LYS HA H 1 3.738 0.004 . 1 . . . A 688 LYS HA . 18182 1 342 . 1 1 30 30 LYS HB2 H 1 1.905 0.004 . 2 . . . A 688 LYS HB2 . 18182 1 343 . 1 1 30 30 LYS HB3 H 1 2.064 0.005 . 2 . . . A 688 LYS HB3 . 18182 1 344 . 1 1 30 30 LYS HG2 H 1 1.461 0.002 . 2 . . . A 688 LYS HG2 . 18182 1 345 . 1 1 30 30 LYS HG3 H 1 1.517 0.007 . 2 . . . A 688 LYS HG3 . 18182 1 346 . 1 1 30 30 LYS HD2 H 1 1.683 0.003 . 2 . . . A 688 LYS HD2 . 18182 1 347 . 1 1 30 30 LYS HD3 H 1 1.683 0.003 . 2 . . . A 688 LYS HD3 . 18182 1 348 . 1 1 30 30 LYS HE2 H 1 2.990 0.002 . 2 . . . A 688 LYS HE2 . 18182 1 349 . 1 1 30 30 LYS HE3 H 1 2.990 0.002 . 2 . . . A 688 LYS HE3 . 18182 1 350 . 1 1 30 30 LYS C C 13 177.312 0.004 . 1 . . . A 688 LYS C . 18182 1 351 . 1 1 30 30 LYS CA C 13 60.509 0.012 . 1 . . . A 688 LYS CA . 18182 1 352 . 1 1 30 30 LYS CB C 13 32.090 0.058 . 1 . . . A 688 LYS CB . 18182 1 353 . 1 1 30 30 LYS CG C 13 24.745 0.150 . 1 . . . A 688 LYS CG . 18182 1 354 . 1 1 30 30 LYS CD C 13 29.419 0.150 . 1 . . . A 688 LYS CD . 18182 1 355 . 1 1 30 30 LYS CE C 13 42.134 0.150 . 1 . . . A 688 LYS CE . 18182 1 356 . 1 1 30 30 LYS N N 15 118.086 0.025 . 1 . . . A 688 LYS N . 18182 1 357 . 1 1 31 31 SER H H 1 7.629 0.003 . 1 . . . A 689 SER H . 18182 1 358 . 1 1 31 31 SER HA H 1 4.460 0.003 . 1 . . . A 689 SER HA . 18182 1 359 . 1 1 31 31 SER HB2 H 1 3.800 0.007 . 2 . . . A 689 SER HB2 . 18182 1 360 . 1 1 31 31 SER HB3 H 1 3.860 0.007 . 2 . . . A 689 SER HB3 . 18182 1 361 . 1 1 31 31 SER C C 13 174.501 0.032 . 1 . . . A 689 SER C . 18182 1 362 . 1 1 31 31 SER CA C 13 58.559 0.020 . 1 . . . A 689 SER CA . 18182 1 363 . 1 1 31 31 SER CB C 13 63.528 0.006 . 1 . . . A 689 SER CB . 18182 1 364 . 1 1 31 31 SER N N 15 111.134 0.038 . 1 . . . A 689 SER N . 18182 1 365 . 1 1 32 32 HIS H H 1 7.701 0.003 . 1 . . . A 690 HIS H . 18182 1 366 . 1 1 32 32 HIS HA H 1 4.656 0.003 . 1 . . . A 690 HIS HA . 18182 1 367 . 1 1 32 32 HIS HB2 H 1 3.058 0.004 . 2 . . . A 690 HIS HB2 . 18182 1 368 . 1 1 32 32 HIS HB3 H 1 3.631 0.013 . 2 . . . A 690 HIS HB3 . 18182 1 369 . 1 1 32 32 HIS HD2 H 1 7.560 0.016 . 1 . . . A 690 HIS HD2 . 18182 1 370 . 1 1 32 32 HIS HE1 H 1 8.245 0.010 . 1 . . . A 690 HIS HE1 . 18182 1 371 . 1 1 32 32 HIS C C 13 173.855 0.005 . 1 . . . A 690 HIS C . 18182 1 372 . 1 1 32 32 HIS CA C 13 56.219 0.049 . 1 . . . A 690 HIS CA . 18182 1 373 . 1 1 32 32 HIS CB C 13 31.924 0.040 . 1 . . . A 690 HIS CB . 18182 1 374 . 1 1 32 32 HIS N N 15 120.218 0.035 . 1 . . . A 690 HIS N . 18182 1 375 . 1 1 33 33 ALA H H 1 8.453 0.002 . 1 . . . A 691 ALA H . 18182 1 376 . 1 1 33 33 ALA HA H 1 4.331 0.003 . 1 . . . A 691 ALA HA . 18182 1 377 . 1 1 33 33 ALA HB1 H 1 1.398 0.003 . 1 . . . A 691 ALA HB1 . 18182 1 378 . 1 1 33 33 ALA HB2 H 1 1.398 0.003 . 1 . . . A 691 ALA HB2 . 18182 1 379 . 1 1 33 33 ALA HB3 H 1 1.398 0.003 . 1 . . . A 691 ALA HB3 . 18182 1 380 . 1 1 33 33 ALA C C 13 179.494 0.004 . 1 . . . A 691 ALA C . 18182 1 381 . 1 1 33 33 ALA CA C 13 51.850 0.098 . 1 . . . A 691 ALA CA . 18182 1 382 . 1 1 33 33 ALA CB C 13 20.045 0.041 . 1 . . . A 691 ALA CB . 18182 1 383 . 1 1 33 33 ALA N N 15 120.317 0.025 . 1 . . . A 691 ALA N . 18182 1 384 . 1 1 34 34 SER H H 1 8.997 0.005 . 1 . . . A 692 SER H . 18182 1 385 . 1 1 34 34 SER HA H 1 4.089 0.008 . 1 . . . A 692 SER HA . 18182 1 386 . 1 1 34 34 SER HB2 H 1 3.978 0.005 . 2 . . . A 692 SER HB2 . 18182 1 387 . 1 1 34 34 SER HB3 H 1 4.045 0.010 . 2 . . . A 692 SER HB3 . 18182 1 388 . 1 1 34 34 SER C C 13 175.336 0.100 . 1 . . . A 692 SER C . 18182 1 389 . 1 1 34 34 SER CA C 13 60.531 0.150 . 1 . . . A 692 SER CA . 18182 1 390 . 1 1 34 34 SER CB C 13 63.308 0.027 . 1 . . . A 692 SER CB . 18182 1 391 . 1 1 34 34 SER N N 15 117.274 0.011 . 1 . . . A 692 SER N . 18182 1 392 . 1 1 35 35 GLY H H 1 9.926 0.005 . 1 . . . A 693 GLY H . 18182 1 393 . 1 1 35 35 GLY HA2 H 1 3.689 0.006 . 2 . . . A 693 GLY HA2 . 18182 1 394 . 1 1 35 35 GLY HA3 H 1 4.655 0.006 . 2 . . . A 693 GLY HA3 . 18182 1 395 . 1 1 35 35 GLY C C 13 174.808 0.011 . 1 . . . A 693 GLY C . 18182 1 396 . 1 1 35 35 GLY CA C 13 44.859 0.126 . 1 . . . A 693 GLY CA . 18182 1 397 . 1 1 35 35 GLY N N 15 113.573 0.009 . 1 . . . A 693 GLY N . 18182 1 398 . 1 1 36 36 THR H H 1 8.291 0.006 . 1 . . . A 694 THR H . 18182 1 399 . 1 1 36 36 THR HA H 1 5.962 0.008 . 1 . . . A 694 THR HA . 18182 1 400 . 1 1 36 36 THR HB H 1 4.067 0.004 . 1 . . . A 694 THR HB . 18182 1 401 . 1 1 36 36 THR HG21 H 1 1.099 0.004 . 1 . . . A 694 THR HG21 . 18182 1 402 . 1 1 36 36 THR HG22 H 1 1.099 0.004 . 1 . . . A 694 THR HG22 . 18182 1 403 . 1 1 36 36 THR HG23 H 1 1.099 0.004 . 1 . . . A 694 THR HG23 . 18182 1 404 . 1 1 36 36 THR C C 13 173.297 0.020 . 1 . . . A 694 THR C . 18182 1 405 . 1 1 36 36 THR CA C 13 63.612 0.024 . 1 . . . A 694 THR CA . 18182 1 406 . 1 1 36 36 THR CB C 13 68.317 0.070 . 1 . . . A 694 THR CB . 18182 1 407 . 1 1 36 36 THR CG2 C 13 21.266 0.150 . 1 . . . A 694 THR CG2 . 18182 1 408 . 1 1 36 36 THR N N 15 121.076 0.020 . 1 . . . A 694 THR N . 18182 1 409 . 1 1 37 37 TYR H H 1 8.805 0.003 . 1 . . . A 695 TYR H . 18182 1 410 . 1 1 37 37 TYR HA H 1 6.041 0.004 . 1 . . . A 695 TYR HA . 18182 1 411 . 1 1 37 37 TYR HB2 H 1 2.668 0.006 . 2 . . . A 695 TYR HB2 . 18182 1 412 . 1 1 37 37 TYR HB3 H 1 2.808 0.011 . 2 . . . A 695 TYR HB3 . 18182 1 413 . 1 1 37 37 TYR HD1 H 1 7.337 0.005 . 3 . . . A 695 TYR HD1 . 18182 1 414 . 1 1 37 37 TYR HD2 H 1 7.337 0.005 . 3 . . . A 695 TYR HD2 . 18182 1 415 . 1 1 37 37 TYR HE1 H 1 7.127 0.003 . 3 . . . A 695 TYR HE1 . 18182 1 416 . 1 1 37 37 TYR HE2 H 1 7.127 0.003 . 3 . . . A 695 TYR HE2 . 18182 1 417 . 1 1 37 37 TYR C C 13 171.831 0.028 . 1 . . . A 695 TYR C . 18182 1 418 . 1 1 37 37 TYR CA C 13 55.305 0.101 . 1 . . . A 695 TYR CA . 18182 1 419 . 1 1 37 37 TYR CB C 13 44.359 0.104 . 1 . . . A 695 TYR CB . 18182 1 420 . 1 1 37 37 TYR N N 15 123.616 0.022 . 1 . . . A 695 TYR N . 18182 1 421 . 1 1 38 38 LEU H H 1 9.105 0.004 . 1 . . . A 696 LEU H . 18182 1 422 . 1 1 38 38 LEU HA H 1 5.159 0.005 . 1 . . . A 696 LEU HA . 18182 1 423 . 1 1 38 38 LEU HB2 H 1 1.367 0.006 . 2 . . . A 696 LEU HB2 . 18182 1 424 . 1 1 38 38 LEU HB3 H 1 1.673 0.004 . 2 . . . A 696 LEU HB3 . 18182 1 425 . 1 1 38 38 LEU HG H 1 1.547 0.003 . 1 . . . A 696 LEU HG . 18182 1 426 . 1 1 38 38 LEU HD11 H 1 0.612 0.005 . 2 . . . A 696 LEU HD11 . 18182 1 427 . 1 1 38 38 LEU HD12 H 1 0.612 0.005 . 2 . . . A 696 LEU HD12 . 18182 1 428 . 1 1 38 38 LEU HD13 H 1 0.612 0.005 . 2 . . . A 696 LEU HD13 . 18182 1 429 . 1 1 38 38 LEU HD21 H 1 0.182 0.005 . 2 . . . A 696 LEU HD21 . 18182 1 430 . 1 1 38 38 LEU HD22 H 1 0.182 0.005 . 2 . . . A 696 LEU HD22 . 18182 1 431 . 1 1 38 38 LEU HD23 H 1 0.182 0.005 . 2 . . . A 696 LEU HD23 . 18182 1 432 . 1 1 38 38 LEU C C 13 174.331 0.021 . 1 . . . A 696 LEU C . 18182 1 433 . 1 1 38 38 LEU CA C 13 53.857 0.077 . 1 . . . A 696 LEU CA . 18182 1 434 . 1 1 38 38 LEU CB C 13 46.893 0.058 . 1 . . . A 696 LEU CB . 18182 1 435 . 1 1 38 38 LEU CG C 13 24.886 0.009 . 1 . . . A 696 LEU CG . 18182 1 436 . 1 1 38 38 LEU CD1 C 13 26.973 0.150 . 2 . . . A 696 LEU CD1 . 18182 1 437 . 1 1 38 38 LEU CD2 C 13 23.608 0.150 . 2 . . . A 696 LEU CD2 . 18182 1 438 . 1 1 38 38 LEU N N 15 115.449 0.021 . 1 . . . A 696 LEU N . 18182 1 439 . 1 1 39 39 ILE H H 1 9.313 0.004 . 1 . . . A 697 ILE H . 18182 1 440 . 1 1 39 39 ILE HA H 1 5.419 0.008 . 1 . . . A 697 ILE HA . 18182 1 441 . 1 1 39 39 ILE HB H 1 2.319 0.007 . 1 . . . A 697 ILE HB . 18182 1 442 . 1 1 39 39 ILE HG12 H 1 1.347 0.007 . 2 . . . A 697 ILE HG12 . 18182 1 443 . 1 1 39 39 ILE HG13 H 1 1.443 0.006 . 2 . . . A 697 ILE HG13 . 18182 1 444 . 1 1 39 39 ILE HG21 H 1 1.000 0.004 . 1 . . . A 697 ILE HG21 . 18182 1 445 . 1 1 39 39 ILE HG22 H 1 1.000 0.004 . 1 . . . A 697 ILE HG22 . 18182 1 446 . 1 1 39 39 ILE HG23 H 1 1.000 0.004 . 1 . . . A 697 ILE HG23 . 18182 1 447 . 1 1 39 39 ILE HD11 H 1 0.710 0.007 . 1 . . . A 697 ILE HD11 . 18182 1 448 . 1 1 39 39 ILE HD12 H 1 0.710 0.007 . 1 . . . A 697 ILE HD12 . 18182 1 449 . 1 1 39 39 ILE HD13 H 1 0.710 0.007 . 1 . . . A 697 ILE HD13 . 18182 1 450 . 1 1 39 39 ILE C C 13 173.476 0.037 . 1 . . . A 697 ILE C . 18182 1 451 . 1 1 39 39 ILE CA C 13 59.925 0.013 . 1 . . . A 697 ILE CA . 18182 1 452 . 1 1 39 39 ILE CB C 13 38.929 0.092 . 1 . . . A 697 ILE CB . 18182 1 453 . 1 1 39 39 ILE CG1 C 13 31.118 0.150 . 1 . . . A 697 ILE CG1 . 18182 1 454 . 1 1 39 39 ILE CG2 C 13 20.359 0.150 . 1 . . . A 697 ILE CG2 . 18182 1 455 . 1 1 39 39 ILE CD1 C 13 13.854 0.150 . 1 . . . A 697 ILE CD1 . 18182 1 456 . 1 1 39 39 ILE N N 15 121.911 0.011 . 1 . . . A 697 ILE N . 18182 1 457 . 1 1 40 40 ARG H H 1 9.185 0.006 . 1 . . . A 698 ARG H . 18182 1 458 . 1 1 40 40 ARG HA H 1 5.292 0.005 . 1 . . . A 698 ARG HA . 18182 1 459 . 1 1 40 40 ARG HB2 H 1 1.207 0.006 . 2 . . . A 698 ARG HB2 . 18182 1 460 . 1 1 40 40 ARG HB3 H 1 2.072 0.003 . 2 . . . A 698 ARG HB3 . 18182 1 461 . 1 1 40 40 ARG HG2 H 1 1.242 0.007 . 2 . . . A 698 ARG HG2 . 18182 1 462 . 1 1 40 40 ARG HG3 H 1 1.242 0.007 . 2 . . . A 698 ARG HG3 . 18182 1 463 . 1 1 40 40 ARG HD2 H 1 2.713 0.005 . 2 . . . A 698 ARG HD2 . 18182 1 464 . 1 1 40 40 ARG HD3 H 1 3.286 0.008 . 2 . . . A 698 ARG HD3 . 18182 1 465 . 1 1 40 40 ARG HE H 1 6.805 0.001 . 1 . . . A 698 ARG HE . 18182 1 466 . 1 1 40 40 ARG C C 13 174.308 0.037 . 1 . . . A 698 ARG C . 18182 1 467 . 1 1 40 40 ARG CA C 13 51.744 0.048 . 1 . . . A 698 ARG CA . 18182 1 468 . 1 1 40 40 ARG CB C 13 33.517 0.031 . 1 . . . A 698 ARG CB . 18182 1 469 . 1 1 40 40 ARG CG C 13 26.359 0.150 . 1 . . . A 698 ARG CG . 18182 1 470 . 1 1 40 40 ARG CD C 13 43.626 0.150 . 1 . . . A 698 ARG CD . 18182 1 471 . 1 1 40 40 ARG N N 15 122.878 0.023 . 1 . . . A 698 ARG N . 18182 1 472 . 1 1 41 41 GLU H H 1 8.634 0.003 . 1 . . . A 699 GLU H . 18182 1 473 . 1 1 41 41 GLU HA H 1 4.897 0.005 . 1 . . . A 699 GLU HA . 18182 1 474 . 1 1 41 41 GLU HB2 H 1 1.899 0.005 . 2 . . . A 699 GLU HB2 . 18182 1 475 . 1 1 41 41 GLU HB3 H 1 1.899 0.005 . 2 . . . A 699 GLU HB3 . 18182 1 476 . 1 1 41 41 GLU HG2 H 1 2.258 0.005 . 2 . . . A 699 GLU HG2 . 18182 1 477 . 1 1 41 41 GLU HG3 H 1 2.258 0.005 . 2 . . . A 699 GLU HG3 . 18182 1 478 . 1 1 41 41 GLU C C 13 176.242 0.013 . 1 . . . A 699 GLU C . 18182 1 479 . 1 1 41 41 GLU CA C 13 55.526 0.077 . 1 . . . A 699 GLU CA . 18182 1 480 . 1 1 41 41 GLU CB C 13 32.133 0.150 . 1 . . . A 699 GLU CB . 18182 1 481 . 1 1 41 41 GLU CG C 13 37.169 0.150 . 1 . . . A 699 GLU CG . 18182 1 482 . 1 1 41 41 GLU N N 15 122.405 0.022 . 1 . . . A 699 GLU N . 18182 1 483 . 1 1 42 42 ARG H H 1 8.639 0.004 . 1 . . . A 700 ARG H . 18182 1 484 . 1 1 42 42 ARG HA H 1 4.694 0.002 . 1 . . . A 700 ARG HA . 18182 1 485 . 1 1 42 42 ARG HB2 H 1 1.746 0.001 . 2 . . . A 700 ARG HB2 . 18182 1 486 . 1 1 42 42 ARG HB3 H 1 1.879 0.010 . 2 . . . A 700 ARG HB3 . 18182 1 487 . 1 1 42 42 ARG HG2 H 1 1.295 0.007 . 2 . . . A 700 ARG HG2 . 18182 1 488 . 1 1 42 42 ARG HG3 H 1 1.295 0.007 . 2 . . . A 700 ARG HG3 . 18182 1 489 . 1 1 42 42 ARG HD2 H 1 2.912 0.002 . 2 . . . A 700 ARG HD2 . 18182 1 490 . 1 1 42 42 ARG HD3 H 1 3.092 0.003 . 2 . . . A 700 ARG HD3 . 18182 1 491 . 1 1 42 42 ARG HE H 1 8.648 0.004 . 1 . . . A 700 ARG HE . 18182 1 492 . 1 1 42 42 ARG CB C 13 31.573 0.150 . 1 . . . A 700 ARG CB . 18182 1 493 . 1 1 42 42 ARG N N 15 125.045 0.034 . 1 . . . A 700 ARG N . 18182 1 494 . 1 1 43 43 PRO HA H 1 4.414 0.005 . 1 . . . A 701 PRO HA . 18182 1 495 . 1 1 43 43 PRO HB2 H 1 2.060 0.002 . 2 . . . A 701 PRO HB2 . 18182 1 496 . 1 1 43 43 PRO HB3 H 1 2.060 0.002 . 2 . . . A 701 PRO HB3 . 18182 1 497 . 1 1 43 43 PRO HG2 H 1 1.958 0.005 . 2 . . . A 701 PRO HG2 . 18182 1 498 . 1 1 43 43 PRO HG3 H 1 1.958 0.005 . 2 . . . A 701 PRO HG3 . 18182 1 499 . 1 1 43 43 PRO HD2 H 1 3.608 0.004 . 2 . . . A 701 PRO HD2 . 18182 1 500 . 1 1 43 43 PRO HD3 H 1 3.608 0.004 . 2 . . . A 701 PRO HD3 . 18182 1 501 . 1 1 43 43 PRO CA C 13 63.411 0.056 . 1 . . . A 701 PRO CA . 18182 1 502 . 1 1 43 43 PRO CB C 13 30.498 0.073 . 1 . . . A 701 PRO CB . 18182 1 503 . 1 1 44 44 ALA H H 1 7.888 0.002 . 1 . . . A 702 ALA H . 18182 1 504 . 1 1 44 44 ALA HA H 1 4.322 0.004 . 1 . . . A 702 ALA HA . 18182 1 505 . 1 1 44 44 ALA HB1 H 1 1.291 0.006 . 1 . . . A 702 ALA HB1 . 18182 1 506 . 1 1 44 44 ALA HB2 H 1 1.291 0.006 . 1 . . . A 702 ALA HB2 . 18182 1 507 . 1 1 44 44 ALA HB3 H 1 1.291 0.006 . 1 . . . A 702 ALA HB3 . 18182 1 508 . 1 1 44 44 ALA C C 13 176.610 0.100 . 1 . . . A 702 ALA C . 18182 1 509 . 1 1 44 44 ALA CA C 13 51.802 0.092 . 1 . . . A 702 ALA CA . 18182 1 510 . 1 1 44 44 ALA CB C 13 20.391 0.067 . 1 . . . A 702 ALA CB . 18182 1 511 . 1 1 44 44 ALA N N 15 122.925 0.008 . 1 . . . A 702 ALA N . 18182 1 512 . 1 1 45 45 GLU H H 1 7.947 0.005 . 1 . . . A 703 GLU H . 18182 1 513 . 1 1 45 45 GLU HA H 1 4.237 0.006 . 1 . . . A 703 GLU HA . 18182 1 514 . 1 1 45 45 GLU HB2 H 1 1.884 0.007 . 2 . . . A 703 GLU HB2 . 18182 1 515 . 1 1 45 45 GLU HB3 H 1 2.025 0.003 . 2 . . . A 703 GLU HB3 . 18182 1 516 . 1 1 45 45 GLU HG2 H 1 2.201 0.007 . 2 . . . A 703 GLU HG2 . 18182 1 517 . 1 1 45 45 GLU HG3 H 1 2.239 0.010 . 2 . . . A 703 GLU HG3 . 18182 1 518 . 1 1 45 45 GLU C C 13 176.717 0.025 . 1 . . . A 703 GLU C . 18182 1 519 . 1 1 45 45 GLU CA C 13 56.901 0.150 . 1 . . . A 703 GLU CA . 18182 1 520 . 1 1 45 45 GLU CB C 13 30.086 0.150 . 1 . . . A 703 GLU CB . 18182 1 521 . 1 1 45 45 GLU CG C 13 35.551 0.150 . 1 . . . A 703 GLU CG . 18182 1 522 . 1 1 45 45 GLU N N 15 118.799 0.035 . 1 . . . A 703 GLU N . 18182 1 523 . 1 1 46 46 ALA H H 1 8.643 0.003 . 1 . . . A 704 ALA H . 18182 1 524 . 1 1 46 46 ALA HA H 1 4.415 0.003 . 1 . . . A 704 ALA HA . 18182 1 525 . 1 1 46 46 ALA HB1 H 1 1.465 0.002 . 1 . . . A 704 ALA HB1 . 18182 1 526 . 1 1 46 46 ALA HB2 H 1 1.465 0.002 . 1 . . . A 704 ALA HB2 . 18182 1 527 . 1 1 46 46 ALA HB3 H 1 1.465 0.002 . 1 . . . A 704 ALA HB3 . 18182 1 528 . 1 1 46 46 ALA C C 13 178.411 0.016 . 1 . . . A 704 ALA C . 18182 1 529 . 1 1 46 46 ALA CA C 13 54.208 0.176 . 1 . . . A 704 ALA CA . 18182 1 530 . 1 1 46 46 ALA CB C 13 19.243 0.056 . 1 . . . A 704 ALA CB . 18182 1 531 . 1 1 46 46 ALA N N 15 120.631 0.045 . 1 . . . A 704 ALA N . 18182 1 532 . 1 1 47 47 GLU H H 1 7.635 0.003 . 1 . . . A 705 GLU H . 18182 1 533 . 1 1 47 47 GLU HA H 1 4.856 0.006 . 1 . . . A 705 GLU HA . 18182 1 534 . 1 1 47 47 GLU HB2 H 1 1.690 0.004 . 2 . . . A 705 GLU HB2 . 18182 1 535 . 1 1 47 47 GLU HB3 H 1 1.864 0.002 . 2 . . . A 705 GLU HB3 . 18182 1 536 . 1 1 47 47 GLU HG2 H 1 2.137 0.004 . 2 . . . A 705 GLU HG2 . 18182 1 537 . 1 1 47 47 GLU HG3 H 1 2.137 0.004 . 2 . . . A 705 GLU HG3 . 18182 1 538 . 1 1 47 47 GLU C C 13 176.013 0.012 . 1 . . . A 705 GLU C . 18182 1 539 . 1 1 47 47 GLU CA C 13 54.858 0.150 . 1 . . . A 705 GLU CA . 18182 1 540 . 1 1 47 47 GLU CB C 13 26.834 0.063 . 1 . . . A 705 GLU CB . 18182 1 541 . 1 1 47 47 GLU CG C 13 35.839 0.150 . 1 . . . A 705 GLU CG . 18182 1 542 . 1 1 47 47 GLU N N 15 119.341 0.005 . 1 . . . A 705 GLU N . 18182 1 543 . 1 1 48 48 ARG H H 1 7.971 0.005 . 1 . . . A 706 ARG H . 18182 1 544 . 1 1 48 48 ARG HA H 1 3.965 0.003 . 1 . . . A 706 ARG HA . 18182 1 545 . 1 1 48 48 ARG HB2 H 1 1.312 0.006 . 2 . . . A 706 ARG HB2 . 18182 1 546 . 1 1 48 48 ARG HB3 H 1 1.581 0.005 . 2 . . . A 706 ARG HB3 . 18182 1 547 . 1 1 48 48 ARG HG2 H 1 1.065 0.005 . 2 . . . A 706 ARG HG2 . 18182 1 548 . 1 1 48 48 ARG HG3 H 1 1.214 0.006 . 2 . . . A 706 ARG HG3 . 18182 1 549 . 1 1 48 48 ARG HD2 H 1 3.091 0.004 . 2 . . . A 706 ARG HD2 . 18182 1 550 . 1 1 48 48 ARG HD3 H 1 3.044 0.003 . 2 . . . A 706 ARG HD3 . 18182 1 551 . 1 1 48 48 ARG HE H 1 7.423 0.010 . 1 . . . A 706 ARG HE . 18182 1 552 . 1 1 48 48 ARG C C 13 175.117 0.007 . 1 . . . A 706 ARG C . 18182 1 553 . 1 1 48 48 ARG CA C 13 58.155 0.041 . 1 . . . A 706 ARG CA . 18182 1 554 . 1 1 48 48 ARG CB C 13 31.691 0.150 . 1 . . . A 706 ARG CB . 18182 1 555 . 1 1 48 48 ARG CG C 13 27.226 0.150 . 1 . . . A 706 ARG CG . 18182 1 556 . 1 1 48 48 ARG CD C 13 43.630 0.150 . 1 . . . A 706 ARG CD . 18182 1 557 . 1 1 48 48 ARG N N 15 120.355 0.033 . 1 . . . A 706 ARG N . 18182 1 558 . 1 1 49 49 PHE H H 1 7.857 0.003 . 1 . . . A 707 PHE H . 18182 1 559 . 1 1 49 49 PHE HA H 1 5.905 0.003 . 1 . . . A 707 PHE HA . 18182 1 560 . 1 1 49 49 PHE HB2 H 1 2.416 0.008 . 2 . . . A 707 PHE HB2 . 18182 1 561 . 1 1 49 49 PHE HB3 H 1 3.090 0.006 . 2 . . . A 707 PHE HB3 . 18182 1 562 . 1 1 49 49 PHE HD1 H 1 6.941 0.005 . 3 . . . A 707 PHE HD1 . 18182 1 563 . 1 1 49 49 PHE HD2 H 1 6.941 0.005 . 3 . . . A 707 PHE HD2 . 18182 1 564 . 1 1 49 49 PHE HE1 H 1 7.343 0.006 . 3 . . . A 707 PHE HE1 . 18182 1 565 . 1 1 49 49 PHE HE2 H 1 7.343 0.006 . 3 . . . A 707 PHE HE2 . 18182 1 566 . 1 1 49 49 PHE HZ H 1 6.170 0.002 . 1 . . . A 707 PHE HZ . 18182 1 567 . 1 1 49 49 PHE C C 13 173.875 0.008 . 1 . . . A 707 PHE C . 18182 1 568 . 1 1 49 49 PHE CA C 13 54.809 0.078 . 1 . . . A 707 PHE CA . 18182 1 569 . 1 1 49 49 PHE CB C 13 43.075 0.035 . 1 . . . A 707 PHE CB . 18182 1 570 . 1 1 49 49 PHE N N 15 112.251 0.034 . 1 . . . A 707 PHE N . 18182 1 571 . 1 1 50 50 ALA H H 1 9.205 0.004 . 1 . . . A 708 ALA H . 18182 1 572 . 1 1 50 50 ALA HA H 1 5.454 0.007 . 1 . . . A 708 ALA HA . 18182 1 573 . 1 1 50 50 ALA HB1 H 1 1.276 0.005 . 1 . . . A 708 ALA HB1 . 18182 1 574 . 1 1 50 50 ALA HB2 H 1 1.276 0.005 . 1 . . . A 708 ALA HB2 . 18182 1 575 . 1 1 50 50 ALA HB3 H 1 1.276 0.005 . 1 . . . A 708 ALA HB3 . 18182 1 576 . 1 1 50 50 ALA C C 13 176.479 0.020 . 1 . . . A 708 ALA C . 18182 1 577 . 1 1 50 50 ALA CA C 13 50.842 0.089 . 1 . . . A 708 ALA CA . 18182 1 578 . 1 1 50 50 ALA CB C 13 21.718 0.024 . 1 . . . A 708 ALA CB . 18182 1 579 . 1 1 50 50 ALA N N 15 118.730 0.011 . 1 . . . A 708 ALA N . 18182 1 580 . 1 1 51 51 ILE H H 1 9.262 0.006 . 1 . . . A 709 ILE H . 18182 1 581 . 1 1 51 51 ILE HA H 1 4.746 0.007 . 1 . . . A 709 ILE HA . 18182 1 582 . 1 1 51 51 ILE HB H 1 1.484 0.005 . 1 . . . A 709 ILE HB . 18182 1 583 . 1 1 51 51 ILE HG12 H 1 1.479 0.005 . 2 . . . A 709 ILE HG12 . 18182 1 584 . 1 1 51 51 ILE HG13 H 1 1.479 0.005 . 2 . . . A 709 ILE HG13 . 18182 1 585 . 1 1 51 51 ILE HG21 H 1 0.648 0.006 . 1 . . . A 709 ILE HG21 . 18182 1 586 . 1 1 51 51 ILE HG22 H 1 0.648 0.006 . 1 . . . A 709 ILE HG22 . 18182 1 587 . 1 1 51 51 ILE HG23 H 1 0.648 0.006 . 1 . . . A 709 ILE HG23 . 18182 1 588 . 1 1 51 51 ILE HD11 H 1 0.485 0.004 . 1 . . . A 709 ILE HD11 . 18182 1 589 . 1 1 51 51 ILE HD12 H 1 0.485 0.004 . 1 . . . A 709 ILE HD12 . 18182 1 590 . 1 1 51 51 ILE HD13 H 1 0.485 0.004 . 1 . . . A 709 ILE HD13 . 18182 1 591 . 1 1 51 51 ILE C C 13 175.120 0.013 . 1 . . . A 709 ILE C . 18182 1 592 . 1 1 51 51 ILE CA C 13 60.723 0.086 . 1 . . . A 709 ILE CA . 18182 1 593 . 1 1 51 51 ILE CB C 13 40.300 0.116 . 1 . . . A 709 ILE CB . 18182 1 594 . 1 1 51 51 ILE CG1 C 13 27.420 0.150 . 1 . . . A 709 ILE CG1 . 18182 1 595 . 1 1 51 51 ILE CG2 C 13 17.063 0.150 . 1 . . . A 709 ILE CG2 . 18182 1 596 . 1 1 51 51 ILE CD1 C 13 13.907 0.150 . 1 . . . A 709 ILE CD1 . 18182 1 597 . 1 1 51 51 ILE N N 15 120.037 0.017 . 1 . . . A 709 ILE N . 18182 1 598 . 1 1 52 52 SER H H 1 9.205 0.004 . 1 . . . A 710 SER H . 18182 1 599 . 1 1 52 52 SER HA H 1 5.468 0.004 . 1 . . . A 710 SER HA . 18182 1 600 . 1 1 52 52 SER HB2 H 1 3.237 0.008 . 2 . . . A 710 SER HB2 . 18182 1 601 . 1 1 52 52 SER HB3 H 1 3.237 0.008 . 2 . . . A 710 SER HB3 . 18182 1 602 . 1 1 52 52 SER C C 13 172.060 0.025 . 1 . . . A 710 SER C . 18182 1 603 . 1 1 52 52 SER CA C 13 57.761 0.022 . 1 . . . A 710 SER CA . 18182 1 604 . 1 1 52 52 SER CB C 13 65.210 0.021 . 1 . . . A 710 SER CB . 18182 1 605 . 1 1 52 52 SER N N 15 125.087 0.016 . 1 . . . A 710 SER N . 18182 1 606 . 1 1 53 53 ILE H H 1 8.989 0.003 . 1 . . . A 711 ILE H . 18182 1 607 . 1 1 53 53 ILE HA H 1 5.195 0.005 . 1 . . . A 711 ILE HA . 18182 1 608 . 1 1 53 53 ILE HB H 1 1.266 0.005 . 1 . . . A 711 ILE HB . 18182 1 609 . 1 1 53 53 ILE HG12 H 1 1.457 0.003 . 2 . . . A 711 ILE HG12 . 18182 1 610 . 1 1 53 53 ILE HG13 H 1 0.805 0.008 . 2 . . . A 711 ILE HG13 . 18182 1 611 . 1 1 53 53 ILE HG21 H 1 0.558 0.003 . 1 . . . A 711 ILE HG21 . 18182 1 612 . 1 1 53 53 ILE HG22 H 1 0.558 0.003 . 1 . . . A 711 ILE HG22 . 18182 1 613 . 1 1 53 53 ILE HG23 H 1 0.558 0.003 . 1 . . . A 711 ILE HG23 . 18182 1 614 . 1 1 53 53 ILE HD11 H 1 0.628 0.005 . 1 . . . A 711 ILE HD11 . 18182 1 615 . 1 1 53 53 ILE HD12 H 1 0.628 0.005 . 1 . . . A 711 ILE HD12 . 18182 1 616 . 1 1 53 53 ILE HD13 H 1 0.628 0.005 . 1 . . . A 711 ILE HD13 . 18182 1 617 . 1 1 53 53 ILE C C 13 173.070 0.048 . 1 . . . A 711 ILE C . 18182 1 618 . 1 1 53 53 ILE CA C 13 57.755 0.074 . 1 . . . A 711 ILE CA . 18182 1 619 . 1 1 53 53 ILE CB C 13 43.357 0.079 . 1 . . . A 711 ILE CB . 18182 1 620 . 1 1 53 53 ILE CG1 C 13 28.435 0.150 . 1 . . . A 711 ILE CG1 . 18182 1 621 . 1 1 53 53 ILE CG2 C 13 15.167 0.150 . 1 . . . A 711 ILE CG2 . 18182 1 622 . 1 1 53 53 ILE CD1 C 13 16.787 0.150 . 1 . . . A 711 ILE CD1 . 18182 1 623 . 1 1 53 53 ILE N N 15 121.753 0.019 . 1 . . . A 711 ILE N . 18182 1 624 . 1 1 54 54 LYS H H 1 8.894 0.004 . 1 . . . A 712 LYS H . 18182 1 625 . 1 1 54 54 LYS HA H 1 4.787 0.005 . 1 . . . A 712 LYS HA . 18182 1 626 . 1 1 54 54 LYS HB2 H 1 1.454 0.001 . 2 . . . A 712 LYS HB2 . 18182 1 627 . 1 1 54 54 LYS HB3 H 1 2.325 0.008 . 2 . . . A 712 LYS HB3 . 18182 1 628 . 1 1 54 54 LYS HG2 H 1 1.692 0.005 . 2 . . . A 712 LYS HG2 . 18182 1 629 . 1 1 54 54 LYS HG3 H 1 0.983 0.002 . 2 . . . A 712 LYS HG3 . 18182 1 630 . 1 1 54 54 LYS HD2 H 1 1.540 0.004 . 2 . . . A 712 LYS HD2 . 18182 1 631 . 1 1 54 54 LYS HD3 H 1 1.679 0.005 . 2 . . . A 712 LYS HD3 . 18182 1 632 . 1 1 54 54 LYS HE2 H 1 3.089 0.003 . 2 . . . A 712 LYS HE2 . 18182 1 633 . 1 1 54 54 LYS HE3 H 1 3.019 0.005 . 2 . . . A 712 LYS HE3 . 18182 1 634 . 1 1 54 54 LYS C C 13 174.899 0.019 . 1 . . . A 712 LYS C . 18182 1 635 . 1 1 54 54 LYS CA C 13 54.367 0.063 . 1 . . . A 712 LYS CA . 18182 1 636 . 1 1 54 54 LYS CB C 13 33.358 0.096 . 1 . . . A 712 LYS CB . 18182 1 637 . 1 1 54 54 LYS CG C 13 23.973 0.150 . 1 . . . A 712 LYS CG . 18182 1 638 . 1 1 54 54 LYS CD C 13 27.849 0.150 . 1 . . . A 712 LYS CD . 18182 1 639 . 1 1 54 54 LYS CE C 13 43.073 0.150 . 1 . . . A 712 LYS CE . 18182 1 640 . 1 1 54 54 LYS N N 15 128.758 0.035 . 1 . . . A 712 LYS N . 18182 1 641 . 1 1 55 55 PHE H H 1 9.464 0.002 . 1 . . . A 713 PHE H . 18182 1 642 . 1 1 55 55 PHE HA H 1 4.947 0.008 . 1 . . . A 713 PHE HA . 18182 1 643 . 1 1 55 55 PHE HB2 H 1 2.501 0.006 . 2 . . . A 713 PHE HB2 . 18182 1 644 . 1 1 55 55 PHE HB3 H 1 2.786 0.006 . 2 . . . A 713 PHE HB3 . 18182 1 645 . 1 1 55 55 PHE HD1 H 1 7.085 0.005 . 3 . . . A 713 PHE HD1 . 18182 1 646 . 1 1 55 55 PHE HD2 H 1 7.085 0.005 . 3 . . . A 713 PHE HD2 . 18182 1 647 . 1 1 55 55 PHE HE1 H 1 7.383 0.006 . 3 . . . A 713 PHE HE1 . 18182 1 648 . 1 1 55 55 PHE HE2 H 1 7.383 0.006 . 3 . . . A 713 PHE HE2 . 18182 1 649 . 1 1 55 55 PHE C C 13 174.238 0.024 . 1 . . . A 713 PHE C . 18182 1 650 . 1 1 55 55 PHE CA C 13 58.165 0.044 . 1 . . . A 713 PHE CA . 18182 1 651 . 1 1 55 55 PHE CB C 13 41.804 0.062 . 1 . . . A 713 PHE CB . 18182 1 652 . 1 1 55 55 PHE N N 15 130.369 0.027 . 1 . . . A 713 PHE N . 18182 1 653 . 1 1 56 56 ASN H H 1 8.411 0.003 . 1 . . . A 714 ASN H . 18182 1 654 . 1 1 56 56 ASN HA H 1 3.941 0.003 . 1 . . . A 714 ASN HA . 18182 1 655 . 1 1 56 56 ASN HB2 H 1 2.537 0.005 . 2 . . . A 714 ASN HB2 . 18182 1 656 . 1 1 56 56 ASN HB3 H 1 2.758 0.007 . 2 . . . A 714 ASN HB3 . 18182 1 657 . 1 1 56 56 ASN HD21 H 1 7.223 0.001 . 2 . . . A 714 ASN HD21 . 18182 1 658 . 1 1 56 56 ASN HD22 H 1 6.528 0.002 . 2 . . . A 714 ASN HD22 . 18182 1 659 . 1 1 56 56 ASN C C 13 174.003 0.031 . 1 . . . A 714 ASN C . 18182 1 660 . 1 1 56 56 ASN CA C 13 55.230 0.150 . 1 . . . A 714 ASN CA . 18182 1 661 . 1 1 56 56 ASN CB C 13 36.140 0.128 . 1 . . . A 714 ASN CB . 18182 1 662 . 1 1 56 56 ASN N N 15 125.719 0.010 . 1 . . . A 714 ASN N . 18182 1 663 . 1 1 57 57 ASP H H 1 8.542 0.004 . 1 . . . A 715 ASP H . 18182 1 664 . 1 1 57 57 ASP HA H 1 4.621 0.004 . 1 . . . A 715 ASP HA . 18182 1 665 . 1 1 57 57 ASP HB2 H 1 2.703 0.001 . 2 . . . A 715 ASP HB2 . 18182 1 666 . 1 1 57 57 ASP HB3 H 1 2.869 0.003 . 2 . . . A 715 ASP HB3 . 18182 1 667 . 1 1 57 57 ASP C C 13 174.858 0.100 . 1 . . . A 715 ASP C . 18182 1 668 . 1 1 57 57 ASP CA C 13 55.182 0.016 . 1 . . . A 715 ASP CA . 18182 1 669 . 1 1 57 57 ASP CB C 13 40.886 0.139 . 1 . . . A 715 ASP CB . 18182 1 670 . 1 1 57 57 ASP N N 15 117.904 0.021 . 1 . . . A 715 ASP N . 18182 1 671 . 1 1 58 58 GLU H H 1 7.889 0.003 . 1 . . . A 716 GLU H . 18182 1 672 . 1 1 58 58 GLU HA H 1 4.710 0.003 . 1 . . . A 716 GLU HA . 18182 1 673 . 1 1 58 58 GLU HB2 H 1 2.042 0.010 . 2 . . . A 716 GLU HB2 . 18182 1 674 . 1 1 58 58 GLU HB3 H 1 1.963 0.004 . 2 . . . A 716 GLU HB3 . 18182 1 675 . 1 1 58 58 GLU HG2 H 1 2.251 0.004 . 2 . . . A 716 GLU HG2 . 18182 1 676 . 1 1 58 58 GLU HG3 H 1 2.251 0.004 . 2 . . . A 716 GLU HG3 . 18182 1 677 . 1 1 58 58 GLU C C 13 173.755 0.008 . 1 . . . A 716 GLU C . 18182 1 678 . 1 1 58 58 GLU CA C 13 55.047 0.052 . 1 . . . A 716 GLU CA . 18182 1 679 . 1 1 58 58 GLU CB C 13 34.286 0.205 . 1 . . . A 716 GLU CB . 18182 1 680 . 1 1 58 58 GLU CG C 13 36.248 0.150 . 1 . . . A 716 GLU CG . 18182 1 681 . 1 1 58 58 GLU N N 15 118.707 0.004 . 1 . . . A 716 GLU N . 18182 1 682 . 1 1 59 59 VAL H H 1 8.536 0.002 . 1 . . . A 717 VAL H . 18182 1 683 . 1 1 59 59 VAL HA H 1 4.430 0.003 . 1 . . . A 717 VAL HA . 18182 1 684 . 1 1 59 59 VAL HB H 1 1.985 0.003 . 1 . . . A 717 VAL HB . 18182 1 685 . 1 1 59 59 VAL HG11 H 1 0.427 0.005 . 2 . . . A 717 VAL HG11 . 18182 1 686 . 1 1 59 59 VAL HG12 H 1 0.427 0.005 . 2 . . . A 717 VAL HG12 . 18182 1 687 . 1 1 59 59 VAL HG13 H 1 0.427 0.005 . 2 . . . A 717 VAL HG13 . 18182 1 688 . 1 1 59 59 VAL HG21 H 1 0.818 0.003 . 2 . . . A 717 VAL HG21 . 18182 1 689 . 1 1 59 59 VAL HG22 H 1 0.818 0.003 . 2 . . . A 717 VAL HG22 . 18182 1 690 . 1 1 59 59 VAL HG23 H 1 0.818 0.003 . 2 . . . A 717 VAL HG23 . 18182 1 691 . 1 1 59 59 VAL C C 13 175.071 0.016 . 1 . . . A 717 VAL C . 18182 1 692 . 1 1 59 59 VAL CA C 13 62.139 0.018 . 1 . . . A 717 VAL CA . 18182 1 693 . 1 1 59 59 VAL CB C 13 32.071 0.070 . 1 . . . A 717 VAL CB . 18182 1 694 . 1 1 59 59 VAL CG1 C 13 22.613 0.150 . 2 . . . A 717 VAL CG1 . 18182 1 695 . 1 1 59 59 VAL CG2 C 13 22.613 0.150 . 2 . . . A 717 VAL CG2 . 18182 1 696 . 1 1 59 59 VAL N N 15 120.720 0.007 . 1 . . . A 717 VAL N . 18182 1 697 . 1 1 60 60 LYS H H 1 8.879 0.002 . 1 . . . A 718 LYS H . 18182 1 698 . 1 1 60 60 LYS HA H 1 4.555 0.006 . 1 . . . A 718 LYS HA . 18182 1 699 . 1 1 60 60 LYS HB2 H 1 1.452 0.010 . 2 . . . A 718 LYS HB2 . 18182 1 700 . 1 1 60 60 LYS HB3 H 1 1.526 0.005 . 2 . . . A 718 LYS HB3 . 18182 1 701 . 1 1 60 60 LYS HG2 H 1 1.260 0.005 . 2 . . . A 718 LYS HG2 . 18182 1 702 . 1 1 60 60 LYS HG3 H 1 1.442 0.004 . 2 . . . A 718 LYS HG3 . 18182 1 703 . 1 1 60 60 LYS HD2 H 1 1.541 0.006 . 2 . . . A 718 LYS HD2 . 18182 1 704 . 1 1 60 60 LYS HD3 H 1 1.541 0.006 . 2 . . . A 718 LYS HD3 . 18182 1 705 . 1 1 60 60 LYS HE2 H 1 2.933 0.007 . 2 . . . A 718 LYS HE2 . 18182 1 706 . 1 1 60 60 LYS HE3 H 1 2.933 0.007 . 2 . . . A 718 LYS HE3 . 18182 1 707 . 1 1 60 60 LYS C C 13 174.578 0.025 . 1 . . . A 718 LYS C . 18182 1 708 . 1 1 60 60 LYS CA C 13 53.117 0.029 . 1 . . . A 718 LYS CA . 18182 1 709 . 1 1 60 60 LYS CB C 13 34.906 0.051 . 1 . . . A 718 LYS CB . 18182 1 710 . 1 1 60 60 LYS CG C 13 24.592 0.150 . 1 . . . A 718 LYS CG . 18182 1 711 . 1 1 60 60 LYS CD C 13 28.502 0.150 . 1 . . . A 718 LYS CD . 18182 1 712 . 1 1 60 60 LYS CE C 13 42.329 0.150 . 1 . . . A 718 LYS CE . 18182 1 713 . 1 1 60 60 LYS N N 15 126.403 0.018 . 1 . . . A 718 LYS N . 18182 1 714 . 1 1 61 61 HIS H H 1 8.846 0.004 . 1 . . . A 719 HIS H . 18182 1 715 . 1 1 61 61 HIS HA H 1 5.510 0.007 . 1 . . . A 719 HIS HA . 18182 1 716 . 1 1 61 61 HIS HB2 H 1 2.546 0.007 . 2 . . . A 719 HIS HB2 . 18182 1 717 . 1 1 61 61 HIS HB3 H 1 2.546 0.007 . 2 . . . A 719 HIS HB3 . 18182 1 718 . 1 1 61 61 HIS HD2 H 1 6.854 0.004 . 1 . . . A 719 HIS HD2 . 18182 1 719 . 1 1 61 61 HIS HE1 H 1 7.336 0.001 . 1 . . . A 719 HIS HE1 . 18182 1 720 . 1 1 61 61 HIS C C 13 174.482 0.041 . 1 . . . A 719 HIS C . 18182 1 721 . 1 1 61 61 HIS CA C 13 55.418 0.074 . 1 . . . A 719 HIS CA . 18182 1 722 . 1 1 61 61 HIS CB C 13 35.249 0.047 . 1 . . . A 719 HIS CB . 18182 1 723 . 1 1 61 61 HIS N N 15 118.939 0.006 . 1 . . . A 719 HIS N . 18182 1 724 . 1 1 62 62 ILE H H 1 9.704 0.005 . 1 . . . A 720 ILE H . 18182 1 725 . 1 1 62 62 ILE HA H 1 4.508 0.006 . 1 . . . A 720 ILE HA . 18182 1 726 . 1 1 62 62 ILE HB H 1 1.491 0.005 . 1 . . . A 720 ILE HB . 18182 1 727 . 1 1 62 62 ILE HG12 H 1 0.235 0.006 . 2 . . . A 720 ILE HG12 . 18182 1 728 . 1 1 62 62 ILE HG13 H 1 1.037 0.007 . 2 . . . A 720 ILE HG13 . 18182 1 729 . 1 1 62 62 ILE HG21 H 1 0.805 0.004 . 1 . . . A 720 ILE HG21 . 18182 1 730 . 1 1 62 62 ILE HG22 H 1 0.805 0.004 . 1 . . . A 720 ILE HG22 . 18182 1 731 . 1 1 62 62 ILE HG23 H 1 0.805 0.004 . 1 . . . A 720 ILE HG23 . 18182 1 732 . 1 1 62 62 ILE HD11 H 1 0.041 0.004 . 1 . . . A 720 ILE HD11 . 18182 1 733 . 1 1 62 62 ILE HD12 H 1 0.041 0.004 . 1 . . . A 720 ILE HD12 . 18182 1 734 . 1 1 62 62 ILE HD13 H 1 0.041 0.004 . 1 . . . A 720 ILE HD13 . 18182 1 735 . 1 1 62 62 ILE C C 13 176.221 0.008 . 1 . . . A 720 ILE C . 18182 1 736 . 1 1 62 62 ILE CA C 13 60.283 0.085 . 1 . . . A 720 ILE CA . 18182 1 737 . 1 1 62 62 ILE CB C 13 43.022 0.102 . 1 . . . A 720 ILE CB . 18182 1 738 . 1 1 62 62 ILE CG1 C 13 27.248 0.150 . 1 . . . A 720 ILE CG1 . 18182 1 739 . 1 1 62 62 ILE CG2 C 13 18.807 0.150 . 1 . . . A 720 ILE CG2 . 18182 1 740 . 1 1 62 62 ILE CD1 C 13 14.100 0.150 . 1 . . . A 720 ILE CD1 . 18182 1 741 . 1 1 62 62 ILE N N 15 124.690 0.026 . 1 . . . A 720 ILE N . 18182 1 742 . 1 1 63 63 LYS H H 1 9.100 0.002 . 1 . . . A 721 LYS H . 18182 1 743 . 1 1 63 63 LYS HA H 1 4.135 0.004 . 1 . . . A 721 LYS HA . 18182 1 744 . 1 1 63 63 LYS HB2 H 1 1.257 0.004 . 2 . . . A 721 LYS HB2 . 18182 1 745 . 1 1 63 63 LYS HB3 H 1 1.591 0.004 . 2 . . . A 721 LYS HB3 . 18182 1 746 . 1 1 63 63 LYS HG2 H 1 0.525 0.004 . 2 . . . A 721 LYS HG2 . 18182 1 747 . 1 1 63 63 LYS HG3 H 1 0.895 0.005 . 2 . . . A 721 LYS HG3 . 18182 1 748 . 1 1 63 63 LYS HD2 H 1 1.005 0.004 . 2 . . . A 721 LYS HD2 . 18182 1 749 . 1 1 63 63 LYS HD3 H 1 1.248 0.004 . 2 . . . A 721 LYS HD3 . 18182 1 750 . 1 1 63 63 LYS HE2 H 1 1.972 0.004 . 2 . . . A 721 LYS HE2 . 18182 1 751 . 1 1 63 63 LYS HE3 H 1 1.972 0.004 . 2 . . . A 721 LYS HE3 . 18182 1 752 . 1 1 63 63 LYS C C 13 174.783 0.023 . 1 . . . A 721 LYS C . 18182 1 753 . 1 1 63 63 LYS CA C 13 58.478 0.150 . 1 . . . A 721 LYS CA . 18182 1 754 . 1 1 63 63 LYS CB C 13 33.853 0.075 . 1 . . . A 721 LYS CB . 18182 1 755 . 1 1 63 63 LYS CG C 13 26.770 0.150 . 1 . . . A 721 LYS CG . 18182 1 756 . 1 1 63 63 LYS CD C 13 29.289 0.150 . 1 . . . A 721 LYS CD . 18182 1 757 . 1 1 63 63 LYS CE C 13 41.129 0.150 . 1 . . . A 721 LYS CE . 18182 1 758 . 1 1 63 63 LYS N N 15 126.432 0.006 . 1 . . . A 721 LYS N . 18182 1 759 . 1 1 64 64 VAL H H 1 8.441 0.007 . 1 . . . A 722 VAL H . 18182 1 760 . 1 1 64 64 VAL HA H 1 4.258 0.006 . 1 . . . A 722 VAL HA . 18182 1 761 . 1 1 64 64 VAL HB H 1 2.040 0.006 . 1 . . . A 722 VAL HB . 18182 1 762 . 1 1 64 64 VAL HG11 H 1 0.765 0.004 . 2 . . . A 722 VAL HG11 . 18182 1 763 . 1 1 64 64 VAL HG12 H 1 0.765 0.004 . 2 . . . A 722 VAL HG12 . 18182 1 764 . 1 1 64 64 VAL HG13 H 1 0.765 0.004 . 2 . . . A 722 VAL HG13 . 18182 1 765 . 1 1 64 64 VAL HG21 H 1 0.655 0.005 . 2 . . . A 722 VAL HG21 . 18182 1 766 . 1 1 64 64 VAL HG22 H 1 0.655 0.005 . 2 . . . A 722 VAL HG22 . 18182 1 767 . 1 1 64 64 VAL HG23 H 1 0.655 0.005 . 2 . . . A 722 VAL HG23 . 18182 1 768 . 1 1 64 64 VAL C C 13 174.284 0.051 . 1 . . . A 722 VAL C . 18182 1 769 . 1 1 64 64 VAL CA C 13 61.293 0.152 . 1 . . . A 722 VAL CA . 18182 1 770 . 1 1 64 64 VAL CB C 13 32.546 0.038 . 1 . . . A 722 VAL CB . 18182 1 771 . 1 1 64 64 VAL CG1 C 13 22.835 0.150 . 2 . . . A 722 VAL CG1 . 18182 1 772 . 1 1 64 64 VAL CG2 C 13 20.205 0.150 . 2 . . . A 722 VAL CG2 . 18182 1 773 . 1 1 64 64 VAL N N 15 123.306 0.008 . 1 . . . A 722 VAL N . 18182 1 774 . 1 1 65 65 VAL H H 1 8.462 0.006 . 1 . . . A 723 VAL H . 18182 1 775 . 1 1 65 65 VAL HA H 1 4.282 0.003 . 1 . . . A 723 VAL HA . 18182 1 776 . 1 1 65 65 VAL HB H 1 1.144 0.009 . 1 . . . A 723 VAL HB . 18182 1 777 . 1 1 65 65 VAL HG11 H 1 0.774 0.004 . 2 . . . A 723 VAL HG11 . 18182 1 778 . 1 1 65 65 VAL HG12 H 1 0.774 0.004 . 2 . . . A 723 VAL HG12 . 18182 1 779 . 1 1 65 65 VAL HG13 H 1 0.774 0.004 . 2 . . . A 723 VAL HG13 . 18182 1 780 . 1 1 65 65 VAL HG21 H 1 0.820 0.003 . 2 . . . A 723 VAL HG21 . 18182 1 781 . 1 1 65 65 VAL HG22 H 1 0.820 0.003 . 2 . . . A 723 VAL HG22 . 18182 1 782 . 1 1 65 65 VAL HG23 H 1 0.820 0.003 . 2 . . . A 723 VAL HG23 . 18182 1 783 . 1 1 65 65 VAL C C 13 174.127 0.036 . 1 . . . A 723 VAL C . 18182 1 784 . 1 1 65 65 VAL CA C 13 61.600 0.093 . 1 . . . A 723 VAL CA . 18182 1 785 . 1 1 65 65 VAL CB C 13 33.717 0.079 . 1 . . . A 723 VAL CB . 18182 1 786 . 1 1 65 65 VAL CG1 C 13 21.793 0.150 . 2 . . . A 723 VAL CG1 . 18182 1 787 . 1 1 65 65 VAL CG2 C 13 21.793 0.150 . 2 . . . A 723 VAL CG2 . 18182 1 788 . 1 1 65 65 VAL N N 15 126.508 0.026 . 1 . . . A 723 VAL N . 18182 1 789 . 1 1 66 66 GLU H H 1 8.619 0.003 . 1 . . . A 724 GLU H . 18182 1 790 . 1 1 66 66 GLU HA H 1 5.226 0.003 . 1 . . . A 724 GLU HA . 18182 1 791 . 1 1 66 66 GLU HB2 H 1 1.893 0.006 . 2 . . . A 724 GLU HB2 . 18182 1 792 . 1 1 66 66 GLU HB3 H 1 2.147 0.003 . 2 . . . A 724 GLU HB3 . 18182 1 793 . 1 1 66 66 GLU HG2 H 1 2.156 0.005 . 2 . . . A 724 GLU HG2 . 18182 1 794 . 1 1 66 66 GLU HG3 H 1 2.156 0.005 . 2 . . . A 724 GLU HG3 . 18182 1 795 . 1 1 66 66 GLU C C 13 175.409 0.001 . 1 . . . A 724 GLU C . 18182 1 796 . 1 1 66 66 GLU CA C 13 54.751 0.070 . 1 . . . A 724 GLU CA . 18182 1 797 . 1 1 66 66 GLU CB C 13 32.457 0.078 . 1 . . . A 724 GLU CB . 18182 1 798 . 1 1 66 66 GLU CG C 13 36.635 0.150 . 1 . . . A 724 GLU CG . 18182 1 799 . 1 1 66 66 GLU N N 15 126.016 0.007 . 1 . . . A 724 GLU N . 18182 1 800 . 1 1 67 67 LYS H H 1 8.740 0.004 . 1 . . . A 725 LYS H . 18182 1 801 . 1 1 67 67 LYS HA H 1 4.497 0.003 . 1 . . . A 725 LYS HA . 18182 1 802 . 1 1 67 67 LYS HB2 H 1 1.737 0.006 . 2 . . . A 725 LYS HB2 . 18182 1 803 . 1 1 67 67 LYS HB3 H 1 1.859 0.004 . 2 . . . A 725 LYS HB3 . 18182 1 804 . 1 1 67 67 LYS HG2 H 1 1.409 0.006 . 2 . . . A 725 LYS HG2 . 18182 1 805 . 1 1 67 67 LYS HG3 H 1 1.409 0.006 . 2 . . . A 725 LYS HG3 . 18182 1 806 . 1 1 67 67 LYS HD2 H 1 1.696 0.001 . 2 . . . A 725 LYS HD2 . 18182 1 807 . 1 1 67 67 LYS HD3 H 1 1.696 0.001 . 2 . . . A 725 LYS HD3 . 18182 1 808 . 1 1 67 67 LYS HE2 H 1 2.988 0.003 . 2 . . . A 725 LYS HE2 . 18182 1 809 . 1 1 67 67 LYS HE3 H 1 2.988 0.003 . 2 . . . A 725 LYS HE3 . 18182 1 810 . 1 1 67 67 LYS C C 13 175.635 0.005 . 1 . . . A 725 LYS C . 18182 1 811 . 1 1 67 67 LYS CA C 13 56.423 0.013 . 1 . . . A 725 LYS CA . 18182 1 812 . 1 1 67 67 LYS CB C 13 35.298 0.082 . 1 . . . A 725 LYS CB . 18182 1 813 . 1 1 67 67 LYS CG C 13 24.783 0.150 . 1 . . . A 725 LYS CG . 18182 1 814 . 1 1 67 67 LYS CD C 13 29.198 0.150 . 1 . . . A 725 LYS CD . 18182 1 815 . 1 1 67 67 LYS CE C 13 42.087 0.150 . 1 . . . A 725 LYS CE . 18182 1 816 . 1 1 67 67 LYS N N 15 125.813 0.010 . 1 . . . A 725 LYS N . 18182 1 817 . 1 1 68 68 ASP H H 1 9.499 0.005 . 1 . . . A 726 ASP H . 18182 1 818 . 1 1 68 68 ASP HA H 1 4.231 0.004 . 1 . . . A 726 ASP HA . 18182 1 819 . 1 1 68 68 ASP HB2 H 1 2.945 0.003 . 2 . . . A 726 ASP HB2 . 18182 1 820 . 1 1 68 68 ASP HB3 H 1 2.945 0.003 . 2 . . . A 726 ASP HB3 . 18182 1 821 . 1 1 68 68 ASP C C 13 174.341 0.024 . 1 . . . A 726 ASP C . 18182 1 822 . 1 1 68 68 ASP CA C 13 56.253 0.005 . 1 . . . A 726 ASP CA . 18182 1 823 . 1 1 68 68 ASP CB C 13 39.499 0.030 . 1 . . . A 726 ASP CB . 18182 1 824 . 1 1 68 68 ASP N N 15 126.958 0.025 . 1 . . . A 726 ASP N . 18182 1 825 . 1 1 69 69 ASN H H 1 8.348 0.004 . 1 . . . A 727 ASN H . 18182 1 826 . 1 1 69 69 ASN HA H 1 4.265 0.005 . 1 . . . A 727 ASN HA . 18182 1 827 . 1 1 69 69 ASN HB2 H 1 2.426 0.006 . 2 . . . A 727 ASN HB2 . 18182 1 828 . 1 1 69 69 ASN HB3 H 1 2.618 0.005 . 2 . . . A 727 ASN HB3 . 18182 1 829 . 1 1 69 69 ASN HD21 H 1 7.237 0.009 . 2 . . . A 727 ASN HD21 . 18182 1 830 . 1 1 69 69 ASN HD22 H 1 6.702 0.010 . 2 . . . A 727 ASN HD22 . 18182 1 831 . 1 1 69 69 ASN C C 13 173.779 0.011 . 1 . . . A 727 ASN C . 18182 1 832 . 1 1 69 69 ASN CA C 13 54.689 0.081 . 1 . . . A 727 ASN CA . 18182 1 833 . 1 1 69 69 ASN CB C 13 37.488 0.080 . 1 . . . A 727 ASN CB . 18182 1 834 . 1 1 69 69 ASN N N 15 110.214 0.013 . 1 . . . A 727 ASN N . 18182 1 835 . 1 1 70 70 TRP H H 1 8.063 0.003 . 1 . . . A 728 TRP H . 18182 1 836 . 1 1 70 70 TRP HA H 1 5.390 0.005 . 1 . . . A 728 TRP HA . 18182 1 837 . 1 1 70 70 TRP HB2 H 1 3.270 0.005 . 2 . . . A 728 TRP HB2 . 18182 1 838 . 1 1 70 70 TRP HB3 H 1 3.473 0.006 . 2 . . . A 728 TRP HB3 . 18182 1 839 . 1 1 70 70 TRP HD1 H 1 7.275 0.004 . 1 . . . A 728 TRP HD1 . 18182 1 840 . 1 1 70 70 TRP HE1 H 1 10.106 0.003 . 1 . . . A 728 TRP HE1 . 18182 1 841 . 1 1 70 70 TRP HE3 H 1 7.556 0.005 . 1 . . . A 728 TRP HE3 . 18182 1 842 . 1 1 70 70 TRP HZ2 H 1 7.373 0.006 . 1 . . . A 728 TRP HZ2 . 18182 1 843 . 1 1 70 70 TRP HZ3 H 1 7.035 0.001 . 1 . . . A 728 TRP HZ3 . 18182 1 844 . 1 1 70 70 TRP HH2 H 1 7.105 0.004 . 1 . . . A 728 TRP HH2 . 18182 1 845 . 1 1 70 70 TRP C C 13 174.779 0.044 . 1 . . . A 728 TRP C . 18182 1 846 . 1 1 70 70 TRP CA C 13 56.826 0.058 . 1 . . . A 728 TRP CA . 18182 1 847 . 1 1 70 70 TRP CB C 13 33.555 0.053 . 1 . . . A 728 TRP CB . 18182 1 848 . 1 1 70 70 TRP N N 15 119.007 0.026 . 1 . . . A 728 TRP N . 18182 1 849 . 1 1 71 71 ILE H H 1 9.378 0.005 . 1 . . . A 729 ILE H . 18182 1 850 . 1 1 71 71 ILE HA H 1 5.600 0.005 . 1 . . . A 729 ILE HA . 18182 1 851 . 1 1 71 71 ILE HB H 1 1.669 0.004 . 1 . . . A 729 ILE HB . 18182 1 852 . 1 1 71 71 ILE HG12 H 1 1.008 0.005 . 2 . . . A 729 ILE HG12 . 18182 1 853 . 1 1 71 71 ILE HG13 H 1 1.454 0.003 . 2 . . . A 729 ILE HG13 . 18182 1 854 . 1 1 71 71 ILE HG21 H 1 0.737 0.005 . 1 . . . A 729 ILE HG21 . 18182 1 855 . 1 1 71 71 ILE HG22 H 1 0.737 0.005 . 1 . . . A 729 ILE HG22 . 18182 1 856 . 1 1 71 71 ILE HG23 H 1 0.737 0.005 . 1 . . . A 729 ILE HG23 . 18182 1 857 . 1 1 71 71 ILE HD11 H 1 0.819 0.003 . 1 . . . A 729 ILE HD11 . 18182 1 858 . 1 1 71 71 ILE HD12 H 1 0.819 0.003 . 1 . . . A 729 ILE HD12 . 18182 1 859 . 1 1 71 71 ILE HD13 H 1 0.819 0.003 . 1 . . . A 729 ILE HD13 . 18182 1 860 . 1 1 71 71 ILE C C 13 175.184 0.017 . 1 . . . A 729 ILE C . 18182 1 861 . 1 1 71 71 ILE CA C 13 58.854 0.091 . 1 . . . A 729 ILE CA . 18182 1 862 . 1 1 71 71 ILE CB C 13 41.596 0.138 . 1 . . . A 729 ILE CB . 18182 1 863 . 1 1 71 71 ILE CG1 C 13 28.755 0.150 . 1 . . . A 729 ILE CG1 . 18182 1 864 . 1 1 71 71 ILE CG2 C 13 17.089 0.150 . 1 . . . A 729 ILE CG2 . 18182 1 865 . 1 1 71 71 ILE CD1 C 13 13.729 0.150 . 1 . . . A 729 ILE CD1 . 18182 1 866 . 1 1 71 71 ILE N N 15 122.016 0.014 . 1 . . . A 729 ILE N . 18182 1 867 . 1 1 72 72 HIS H H 1 9.048 0.004 . 1 . . . A 730 HIS H . 18182 1 868 . 1 1 72 72 HIS HA H 1 5.218 0.004 . 1 . . . A 730 HIS HA . 18182 1 869 . 1 1 72 72 HIS HB2 H 1 3.479 0.004 . 2 . . . A 730 HIS HB2 . 18182 1 870 . 1 1 72 72 HIS HB3 H 1 3.578 0.004 . 2 . . . A 730 HIS HB3 . 18182 1 871 . 1 1 72 72 HIS HD2 H 1 6.373 0.003 . 1 . . . A 730 HIS HD2 . 18182 1 872 . 1 1 72 72 HIS HE1 H 1 7.828 0.001 . 1 . . . A 730 HIS HE1 . 18182 1 873 . 1 1 72 72 HIS C C 13 173.714 0.009 . 1 . . . A 730 HIS C . 18182 1 874 . 1 1 72 72 HIS CA C 13 56.642 0.003 . 1 . . . A 730 HIS CA . 18182 1 875 . 1 1 72 72 HIS CB C 13 32.505 0.046 . 1 . . . A 730 HIS CB . 18182 1 876 . 1 1 72 72 HIS N N 15 121.306 0.005 . 1 . . . A 730 HIS N . 18182 1 877 . 1 1 73 73 ILE H H 1 9.499 0.004 . 1 . . . A 731 ILE H . 18182 1 878 . 1 1 73 73 ILE HA H 1 4.937 0.004 . 1 . . . A 731 ILE HA . 18182 1 879 . 1 1 73 73 ILE HB H 1 2.106 0.007 . 1 . . . A 731 ILE HB . 18182 1 880 . 1 1 73 73 ILE HG12 H 1 1.209 0.009 . 2 . . . A 731 ILE HG12 . 18182 1 881 . 1 1 73 73 ILE HG13 H 1 1.574 0.005 . 2 . . . A 731 ILE HG13 . 18182 1 882 . 1 1 73 73 ILE HG21 H 1 1.002 0.004 . 1 . . . A 731 ILE HG21 . 18182 1 883 . 1 1 73 73 ILE HG22 H 1 1.002 0.004 . 1 . . . A 731 ILE HG22 . 18182 1 884 . 1 1 73 73 ILE HG23 H 1 1.002 0.004 . 1 . . . A 731 ILE HG23 . 18182 1 885 . 1 1 73 73 ILE HD11 H 1 0.301 0.008 . 1 . . . A 731 ILE HD11 . 18182 1 886 . 1 1 73 73 ILE HD12 H 1 0.301 0.008 . 1 . . . A 731 ILE HD12 . 18182 1 887 . 1 1 73 73 ILE HD13 H 1 0.301 0.008 . 1 . . . A 731 ILE HD13 . 18182 1 888 . 1 1 73 73 ILE C C 13 175.442 0.100 . 1 . . . A 731 ILE C . 18182 1 889 . 1 1 73 73 ILE CA C 13 62.678 0.037 . 1 . . . A 731 ILE CA . 18182 1 890 . 1 1 73 73 ILE CB C 13 39.406 0.050 . 1 . . . A 731 ILE CB . 18182 1 891 . 1 1 73 73 ILE CG1 C 13 26.251 0.150 . 1 . . . A 731 ILE CG1 . 18182 1 892 . 1 1 73 73 ILE CG2 C 13 19.754 0.150 . 1 . . . A 731 ILE CG2 . 18182 1 893 . 1 1 73 73 ILE CD1 C 13 13.899 0.150 . 1 . . . A 731 ILE CD1 . 18182 1 894 . 1 1 73 73 ILE N N 15 112.643 0.010 . 1 . . . A 731 ILE N . 18182 1 895 . 1 1 74 74 THR H H 1 8.364 0.003 . 1 . . . A 732 THR H . 18182 1 896 . 1 1 74 74 THR HA H 1 4.812 0.005 . 1 . . . A 732 THR HA . 18182 1 897 . 1 1 74 74 THR HB H 1 4.185 0.003 . 1 . . . A 732 THR HB . 18182 1 898 . 1 1 74 74 THR HG21 H 1 1.258 0.007 . 1 . . . A 732 THR HG21 . 18182 1 899 . 1 1 74 74 THR HG22 H 1 1.258 0.007 . 1 . . . A 732 THR HG22 . 18182 1 900 . 1 1 74 74 THR HG23 H 1 1.258 0.007 . 1 . . . A 732 THR HG23 . 18182 1 901 . 1 1 74 74 THR C C 13 173.575 0.010 . 1 . . . A 732 THR C . 18182 1 902 . 1 1 74 74 THR CA C 13 58.650 0.035 . 1 . . . A 732 THR CA . 18182 1 903 . 1 1 74 74 THR CB C 13 70.177 0.157 . 1 . . . A 732 THR CB . 18182 1 904 . 1 1 74 74 THR CG2 C 13 21.246 0.150 . 1 . . . A 732 THR CG2 . 18182 1 905 . 1 1 74 74 THR N N 15 115.752 0.039 . 1 . . . A 732 THR N . 18182 1 906 . 1 1 75 75 GLU H H 1 8.754 0.003 . 1 . . . A 733 GLU H . 18182 1 907 . 1 1 75 75 GLU HA H 1 2.973 0.003 . 1 . . . A 733 GLU HA . 18182 1 908 . 1 1 75 75 GLU HB2 H 1 1.745 0.003 . 2 . . . A 733 GLU HB2 . 18182 1 909 . 1 1 75 75 GLU HB3 H 1 1.745 0.003 . 2 . . . A 733 GLU HB3 . 18182 1 910 . 1 1 75 75 GLU HG2 H 1 1.929 0.007 . 2 . . . A 733 GLU HG2 . 18182 1 911 . 1 1 75 75 GLU HG3 H 1 2.095 0.009 . 2 . . . A 733 GLU HG3 . 18182 1 912 . 1 1 75 75 GLU C C 13 175.609 0.011 . 1 . . . A 733 GLU C . 18182 1 913 . 1 1 75 75 GLU CA C 13 58.662 0.007 . 1 . . . A 733 GLU CA . 18182 1 914 . 1 1 75 75 GLU CB C 13 28.963 0.059 . 1 . . . A 733 GLU CB . 18182 1 915 . 1 1 75 75 GLU CG C 13 36.480 0.150 . 1 . . . A 733 GLU CG . 18182 1 916 . 1 1 75 75 GLU N N 15 124.910 0.031 . 1 . . . A 733 GLU N . 18182 1 917 . 1 1 76 76 ALA H H 1 7.538 0.004 . 1 . . . A 734 ALA H . 18182 1 918 . 1 1 76 76 ALA HA H 1 3.940 0.005 . 1 . . . A 734 ALA HA . 18182 1 919 . 1 1 76 76 ALA HB1 H 1 1.226 0.003 . 1 . . . A 734 ALA HB1 . 18182 1 920 . 1 1 76 76 ALA HB2 H 1 1.226 0.003 . 1 . . . A 734 ALA HB2 . 18182 1 921 . 1 1 76 76 ALA HB3 H 1 1.226 0.003 . 1 . . . A 734 ALA HB3 . 18182 1 922 . 1 1 76 76 ALA C C 13 177.033 0.015 . 1 . . . A 734 ALA C . 18182 1 923 . 1 1 76 76 ALA CA C 13 53.174 0.024 . 1 . . . A 734 ALA CA . 18182 1 924 . 1 1 76 76 ALA CB C 13 19.493 0.040 . 1 . . . A 734 ALA CB . 18182 1 925 . 1 1 76 76 ALA N N 15 117.847 0.008 . 1 . . . A 734 ALA N . 18182 1 926 . 1 1 77 77 LYS H H 1 7.326 0.002 . 1 . . . A 735 LYS H . 18182 1 927 . 1 1 77 77 LYS HA H 1 4.111 0.004 . 1 . . . A 735 LYS HA . 18182 1 928 . 1 1 77 77 LYS HB2 H 1 1.298 0.006 . 2 . . . A 735 LYS HB2 . 18182 1 929 . 1 1 77 77 LYS HB3 H 1 1.444 0.005 . 2 . . . A 735 LYS HB3 . 18182 1 930 . 1 1 77 77 LYS HG2 H 1 0.698 0.003 . 2 . . . A 735 LYS HG2 . 18182 1 931 . 1 1 77 77 LYS HG3 H 1 0.743 0.004 . 2 . . . A 735 LYS HG3 . 18182 1 932 . 1 1 77 77 LYS HD2 H 1 1.162 0.002 . 2 . . . A 735 LYS HD2 . 18182 1 933 . 1 1 77 77 LYS HD3 H 1 1.162 0.002 . 2 . . . A 735 LYS HD3 . 18182 1 934 . 1 1 77 77 LYS HE2 H 1 2.323 0.002 . 2 . . . A 735 LYS HE2 . 18182 1 935 . 1 1 77 77 LYS HE3 H 1 2.323 0.002 . 2 . . . A 735 LYS HE3 . 18182 1 936 . 1 1 77 77 LYS C C 13 171.953 0.027 . 1 . . . A 735 LYS C . 18182 1 937 . 1 1 77 77 LYS CA C 13 54.699 0.020 . 1 . . . A 735 LYS CA . 18182 1 938 . 1 1 77 77 LYS CB C 13 33.285 0.032 . 1 . . . A 735 LYS CB . 18182 1 939 . 1 1 77 77 LYS CG C 13 24.053 0.150 . 1 . . . A 735 LYS CG . 18182 1 940 . 1 1 77 77 LYS CD C 13 27.910 0.083 . 1 . . . A 735 LYS CD . 18182 1 941 . 1 1 77 77 LYS CE C 13 41.663 0.150 . 1 . . . A 735 LYS CE . 18182 1 942 . 1 1 77 77 LYS N N 15 119.518 0.002 . 1 . . . A 735 LYS N . 18182 1 943 . 1 1 78 78 LYS H H 1 7.893 0.003 . 1 . . . A 736 LYS H . 18182 1 944 . 1 1 78 78 LYS HA H 1 4.731 0.006 . 1 . . . A 736 LYS HA . 18182 1 945 . 1 1 78 78 LYS HB2 H 1 1.059 0.002 . 2 . . . A 736 LYS HB2 . 18182 1 946 . 1 1 78 78 LYS HB3 H 1 1.347 0.006 . 2 . . . A 736 LYS HB3 . 18182 1 947 . 1 1 78 78 LYS HG2 H 1 0.879 0.010 . 2 . . . A 736 LYS HG2 . 18182 1 948 . 1 1 78 78 LYS HG3 H 1 0.879 0.010 . 2 . . . A 736 LYS HG3 . 18182 1 949 . 1 1 78 78 LYS HD2 H 1 0.732 0.006 . 2 . . . A 736 LYS HD2 . 18182 1 950 . 1 1 78 78 LYS HD3 H 1 0.940 0.004 . 2 . . . A 736 LYS HD3 . 18182 1 951 . 1 1 78 78 LYS HE2 H 1 2.109 0.005 . 2 . . . A 736 LYS HE2 . 18182 1 952 . 1 1 78 78 LYS HE3 H 1 2.109 0.005 . 2 . . . A 736 LYS HE3 . 18182 1 953 . 1 1 78 78 LYS C C 13 175.123 0.008 . 1 . . . A 736 LYS C . 18182 1 954 . 1 1 78 78 LYS CA C 13 55.110 0.028 . 1 . . . A 736 LYS CA . 18182 1 955 . 1 1 78 78 LYS CB C 13 34.970 0.149 . 1 . . . A 736 LYS CB . 18182 1 956 . 1 1 78 78 LYS CG C 13 24.639 0.150 . 1 . . . A 736 LYS CG . 18182 1 957 . 1 1 78 78 LYS CD C 13 28.834 0.150 . 1 . . . A 736 LYS CD . 18182 1 958 . 1 1 78 78 LYS CE C 13 41.536 0.134 . 1 . . . A 736 LYS CE . 18182 1 959 . 1 1 78 78 LYS N N 15 123.200 0.003 . 1 . . . A 736 LYS N . 18182 1 960 . 1 1 79 79 PHE H H 1 9.121 0.005 . 1 . . . A 737 PHE H . 18182 1 961 . 1 1 79 79 PHE HA H 1 4.994 0.004 . 1 . . . A 737 PHE HA . 18182 1 962 . 1 1 79 79 PHE HB2 H 1 2.839 0.006 . 2 . . . A 737 PHE HB2 . 18182 1 963 . 1 1 79 79 PHE HB3 H 1 3.333 0.006 . 2 . . . A 737 PHE HB3 . 18182 1 964 . 1 1 79 79 PHE HD1 H 1 7.314 0.008 . 3 . . . A 737 PHE HD1 . 18182 1 965 . 1 1 79 79 PHE HD2 H 1 7.314 0.008 . 3 . . . A 737 PHE HD2 . 18182 1 966 . 1 1 79 79 PHE HE1 H 1 7.037 0.004 . 3 . . . A 737 PHE HE1 . 18182 1 967 . 1 1 79 79 PHE HE2 H 1 7.037 0.004 . 3 . . . A 737 PHE HE2 . 18182 1 968 . 1 1 79 79 PHE HZ H 1 5.858 0.004 . 1 . . . A 737 PHE HZ . 18182 1 969 . 1 1 79 79 PHE C C 13 175.595 0.004 . 1 . . . A 737 PHE C . 18182 1 970 . 1 1 79 79 PHE CA C 13 56.941 0.058 . 1 . . . A 737 PHE CA . 18182 1 971 . 1 1 79 79 PHE CB C 13 43.413 0.019 . 1 . . . A 737 PHE CB . 18182 1 972 . 1 1 79 79 PHE N N 15 117.916 0.016 . 1 . . . A 737 PHE N . 18182 1 973 . 1 1 80 80 ASP H H 1 9.377 0.002 . 1 . . . A 738 ASP H . 18182 1 974 . 1 1 80 80 ASP HA H 1 4.749 0.004 . 1 . . . A 738 ASP HA . 18182 1 975 . 1 1 80 80 ASP HB2 H 1 2.685 0.004 . 2 . . . A 738 ASP HB2 . 18182 1 976 . 1 1 80 80 ASP HB3 H 1 2.863 0.004 . 2 . . . A 738 ASP HB3 . 18182 1 977 . 1 1 80 80 ASP C C 13 176.035 0.010 . 1 . . . A 738 ASP C . 18182 1 978 . 1 1 80 80 ASP CA C 13 55.712 0.050 . 1 . . . A 738 ASP CA . 18182 1 979 . 1 1 80 80 ASP CB C 13 41.709 0.016 . 1 . . . A 738 ASP CB . 18182 1 980 . 1 1 80 80 ASP N N 15 119.341 0.001 . 1 . . . A 738 ASP N . 18182 1 981 . 1 1 81 81 SER H H 1 7.447 0.003 . 1 . . . A 739 SER H . 18182 1 982 . 1 1 81 81 SER HA H 1 4.694 0.004 . 1 . . . A 739 SER HA . 18182 1 983 . 1 1 81 81 SER HB2 H 1 4.047 0.003 . 2 . . . A 739 SER HB2 . 18182 1 984 . 1 1 81 81 SER HB3 H 1 4.159 0.005 . 2 . . . A 739 SER HB3 . 18182 1 985 . 1 1 81 81 SER C C 13 173.791 0.009 . 1 . . . A 739 SER C . 18182 1 986 . 1 1 81 81 SER CA C 13 57.049 0.026 . 1 . . . A 739 SER CA . 18182 1 987 . 1 1 81 81 SER CB C 13 66.839 0.111 . 1 . . . A 739 SER CB . 18182 1 988 . 1 1 81 81 SER N N 15 108.518 0.016 . 1 . . . A 739 SER N . 18182 1 989 . 1 1 82 82 LEU H H 1 8.969 0.003 . 1 . . . A 740 LEU H . 18182 1 990 . 1 1 82 82 LEU HA H 1 3.811 0.007 . 1 . . . A 740 LEU HA . 18182 1 991 . 1 1 82 82 LEU HB2 H 1 1.015 0.005 . 2 . . . A 740 LEU HB2 . 18182 1 992 . 1 1 82 82 LEU HB3 H 1 1.429 0.005 . 2 . . . A 740 LEU HB3 . 18182 1 993 . 1 1 82 82 LEU HG H 1 1.003 0.004 . 1 . . . A 740 LEU HG . 18182 1 994 . 1 1 82 82 LEU HD11 H 1 0.221 0.005 . 2 . . . A 740 LEU HD11 . 18182 1 995 . 1 1 82 82 LEU HD12 H 1 0.221 0.005 . 2 . . . A 740 LEU HD12 . 18182 1 996 . 1 1 82 82 LEU HD13 H 1 0.221 0.005 . 2 . . . A 740 LEU HD13 . 18182 1 997 . 1 1 82 82 LEU HD21 H 1 -0.369 0.003 . 2 . . . A 740 LEU HD21 . 18182 1 998 . 1 1 82 82 LEU HD22 H 1 -0.369 0.003 . 2 . . . A 740 LEU HD22 . 18182 1 999 . 1 1 82 82 LEU HD23 H 1 -0.369 0.003 . 2 . . . A 740 LEU HD23 . 18182 1 1000 . 1 1 82 82 LEU C C 13 177.172 0.008 . 1 . . . A 740 LEU C . 18182 1 1001 . 1 1 82 82 LEU CA C 13 57.469 0.051 . 1 . . . A 740 LEU CA . 18182 1 1002 . 1 1 82 82 LEU CB C 13 40.819 0.033 . 1 . . . A 740 LEU CB . 18182 1 1003 . 1 1 82 82 LEU CG C 13 26.070 0.150 . 1 . . . A 740 LEU CG . 18182 1 1004 . 1 1 82 82 LEU CD1 C 13 22.921 0.150 . 2 . . . A 740 LEU CD1 . 18182 1 1005 . 1 1 82 82 LEU CD2 C 13 22.921 0.150 . 2 . . . A 740 LEU CD2 . 18182 1 1006 . 1 1 82 82 LEU N N 15 122.626 0.016 . 1 . . . A 740 LEU N . 18182 1 1007 . 1 1 83 83 LEU H H 1 7.770 0.003 . 1 . . . A 741 LEU H . 18182 1 1008 . 1 1 83 83 LEU HA H 1 3.837 0.003 . 1 . . . A 741 LEU HA . 18182 1 1009 . 1 1 83 83 LEU HB2 H 1 1.605 0.007 . 2 . . . A 741 LEU HB2 . 18182 1 1010 . 1 1 83 83 LEU HB3 H 1 1.730 0.008 . 2 . . . A 741 LEU HB3 . 18182 1 1011 . 1 1 83 83 LEU HG H 1 1.570 0.004 . 1 . . . A 741 LEU HG . 18182 1 1012 . 1 1 83 83 LEU HD11 H 1 0.898 0.006 . 2 . . . A 741 LEU HD11 . 18182 1 1013 . 1 1 83 83 LEU HD12 H 1 0.898 0.006 . 2 . . . A 741 LEU HD12 . 18182 1 1014 . 1 1 83 83 LEU HD13 H 1 0.898 0.006 . 2 . . . A 741 LEU HD13 . 18182 1 1015 . 1 1 83 83 LEU HD21 H 1 0.898 0.006 . 2 . . . A 741 LEU HD21 . 18182 1 1016 . 1 1 83 83 LEU HD22 H 1 0.898 0.006 . 2 . . . A 741 LEU HD22 . 18182 1 1017 . 1 1 83 83 LEU HD23 H 1 0.898 0.006 . 2 . . . A 741 LEU HD23 . 18182 1 1018 . 1 1 83 83 LEU C C 13 177.492 0.008 . 1 . . . A 741 LEU C . 18182 1 1019 . 1 1 83 83 LEU CA C 13 58.264 0.028 . 1 . . . A 741 LEU CA . 18182 1 1020 . 1 1 83 83 LEU CB C 13 41.929 0.102 . 1 . . . A 741 LEU CB . 18182 1 1021 . 1 1 83 83 LEU CG C 13 27.101 0.030 . 1 . . . A 741 LEU CG . 18182 1 1022 . 1 1 83 83 LEU CD1 C 13 24.884 0.150 . 2 . . . A 741 LEU CD1 . 18182 1 1023 . 1 1 83 83 LEU CD2 C 13 24.884 0.150 . 2 . . . A 741 LEU CD2 . 18182 1 1024 . 1 1 83 83 LEU N N 15 116.575 0.010 . 1 . . . A 741 LEU N . 18182 1 1025 . 1 1 84 84 GLU H H 1 7.585 0.002 . 1 . . . A 742 GLU H . 18182 1 1026 . 1 1 84 84 GLU HA H 1 3.918 0.004 . 1 . . . A 742 GLU HA . 18182 1 1027 . 1 1 84 84 GLU HB2 H 1 2.145 0.003 . 2 . . . A 742 GLU HB2 . 18182 1 1028 . 1 1 84 84 GLU HB3 H 1 2.316 0.005 . 2 . . . A 742 GLU HB3 . 18182 1 1029 . 1 1 84 84 GLU HG2 H 1 2.428 0.004 . 2 . . . A 742 GLU HG2 . 18182 1 1030 . 1 1 84 84 GLU HG3 H 1 2.428 0.004 . 2 . . . A 742 GLU HG3 . 18182 1 1031 . 1 1 84 84 GLU C C 13 178.252 0.001 . 1 . . . A 742 GLU C . 18182 1 1032 . 1 1 84 84 GLU CA C 13 59.391 0.026 . 1 . . . A 742 GLU CA . 18182 1 1033 . 1 1 84 84 GLU CB C 13 30.459 0.012 . 1 . . . A 742 GLU CB . 18182 1 1034 . 1 1 84 84 GLU CG C 13 37.571 0.150 . 1 . . . A 742 GLU CG . 18182 1 1035 . 1 1 84 84 GLU N N 15 116.865 0.010 . 1 . . . A 742 GLU N . 18182 1 1036 . 1 1 85 85 LEU H H 1 7.109 0.004 . 1 . . . A 743 LEU H . 18182 1 1037 . 1 1 85 85 LEU HA H 1 2.028 0.006 . 1 . . . A 743 LEU HA . 18182 1 1038 . 1 1 85 85 LEU HB2 H 1 1.147 0.006 . 2 . . . A 743 LEU HB2 . 18182 1 1039 . 1 1 85 85 LEU HB3 H 1 1.683 0.006 . 2 . . . A 743 LEU HB3 . 18182 1 1040 . 1 1 85 85 LEU HG H 1 0.998 0.004 . 1 . . . A 743 LEU HG . 18182 1 1041 . 1 1 85 85 LEU HD11 H 1 0.591 0.003 . 2 . . . A 743 LEU HD11 . 18182 1 1042 . 1 1 85 85 LEU HD12 H 1 0.591 0.003 . 2 . . . A 743 LEU HD12 . 18182 1 1043 . 1 1 85 85 LEU HD13 H 1 0.591 0.003 . 2 . . . A 743 LEU HD13 . 18182 1 1044 . 1 1 85 85 LEU HD21 H 1 0.591 0.003 . 2 . . . A 743 LEU HD21 . 18182 1 1045 . 1 1 85 85 LEU HD22 H 1 0.591 0.003 . 2 . . . A 743 LEU HD22 . 18182 1 1046 . 1 1 85 85 LEU HD23 H 1 0.591 0.003 . 2 . . . A 743 LEU HD23 . 18182 1 1047 . 1 1 85 85 LEU C C 13 177.335 0.002 . 1 . . . A 743 LEU C . 18182 1 1048 . 1 1 85 85 LEU CA C 13 58.771 0.068 . 1 . . . A 743 LEU CA . 18182 1 1049 . 1 1 85 85 LEU CB C 13 41.827 0.048 . 1 . . . A 743 LEU CB . 18182 1 1050 . 1 1 85 85 LEU CG C 13 28.894 0.150 . 1 . . . A 743 LEU CG . 18182 1 1051 . 1 1 85 85 LEU CD1 C 13 24.489 0.150 . 2 . . . A 743 LEU CD1 . 18182 1 1052 . 1 1 85 85 LEU CD2 C 13 24.489 0.150 . 2 . . . A 743 LEU CD2 . 18182 1 1053 . 1 1 85 85 LEU N N 15 122.164 0.011 . 1 . . . A 743 LEU N . 18182 1 1054 . 1 1 86 86 VAL H H 1 8.113 0.007 . 1 . . . A 744 VAL H . 18182 1 1055 . 1 1 86 86 VAL HA H 1 2.853 0.005 . 1 . . . A 744 VAL HA . 18182 1 1056 . 1 1 86 86 VAL HB H 1 1.395 0.006 . 1 . . . A 744 VAL HB . 18182 1 1057 . 1 1 86 86 VAL HG11 H 1 -0.146 0.006 . 2 . . . A 744 VAL HG11 . 18182 1 1058 . 1 1 86 86 VAL HG12 H 1 -0.146 0.006 . 2 . . . A 744 VAL HG12 . 18182 1 1059 . 1 1 86 86 VAL HG13 H 1 -0.146 0.006 . 2 . . . A 744 VAL HG13 . 18182 1 1060 . 1 1 86 86 VAL HG21 H 1 -0.109 0.003 . 2 . . . A 744 VAL HG21 . 18182 1 1061 . 1 1 86 86 VAL HG22 H 1 -0.109 0.003 . 2 . . . A 744 VAL HG22 . 18182 1 1062 . 1 1 86 86 VAL HG23 H 1 -0.109 0.003 . 2 . . . A 744 VAL HG23 . 18182 1 1063 . 1 1 86 86 VAL C C 13 177.675 0.010 . 1 . . . A 744 VAL C . 18182 1 1064 . 1 1 86 86 VAL CA C 13 67.113 0.081 . 1 . . . A 744 VAL CA . 18182 1 1065 . 1 1 86 86 VAL CB C 13 31.111 0.070 . 1 . . . A 744 VAL CB . 18182 1 1066 . 1 1 86 86 VAL CG1 C 13 22.700 0.150 . 2 . . . A 744 VAL CG1 . 18182 1 1067 . 1 1 86 86 VAL CG2 C 13 20.790 1.245 . 2 . . . A 744 VAL CG2 . 18182 1 1068 . 1 1 86 86 VAL N N 15 119.760 0.022 . 1 . . . A 744 VAL N . 18182 1 1069 . 1 1 87 87 GLU H H 1 8.182 0.005 . 1 . . . A 745 GLU H . 18182 1 1070 . 1 1 87 87 GLU HA H 1 3.762 0.003 . 1 . . . A 745 GLU HA . 18182 1 1071 . 1 1 87 87 GLU HB2 H 1 1.934 0.010 . 2 . . . A 745 GLU HB2 . 18182 1 1072 . 1 1 87 87 GLU HB3 H 1 1.934 0.010 . 2 . . . A 745 GLU HB3 . 18182 1 1073 . 1 1 87 87 GLU HG2 H 1 2.131 0.002 . 2 . . . A 745 GLU HG2 . 18182 1 1074 . 1 1 87 87 GLU HG3 H 1 2.556 0.004 . 2 . . . A 745 GLU HG3 . 18182 1 1075 . 1 1 87 87 GLU C C 13 179.530 0.009 . 1 . . . A 745 GLU C . 18182 1 1076 . 1 1 87 87 GLU CA C 13 59.438 0.061 . 1 . . . A 745 GLU CA . 18182 1 1077 . 1 1 87 87 GLU CB C 13 29.152 0.089 . 1 . . . A 745 GLU CB . 18182 1 1078 . 1 1 87 87 GLU CG C 13 36.967 0.150 . 1 . . . A 745 GLU CG . 18182 1 1079 . 1 1 87 87 GLU N N 15 116.227 0.012 . 1 . . . A 745 GLU N . 18182 1 1080 . 1 1 88 88 TYR H H 1 7.795 0.003 . 1 . . . A 746 TYR H . 18182 1 1081 . 1 1 88 88 TYR HA H 1 4.147 0.004 . 1 . . . A 746 TYR HA . 18182 1 1082 . 1 1 88 88 TYR HB2 H 1 2.605 0.008 . 2 . . . A 746 TYR HB2 . 18182 1 1083 . 1 1 88 88 TYR HB3 H 1 2.846 0.002 . 2 . . . A 746 TYR HB3 . 18182 1 1084 . 1 1 88 88 TYR HD1 H 1 6.904 0.003 . 3 . . . A 746 TYR HD1 . 18182 1 1085 . 1 1 88 88 TYR HD2 H 1 6.904 0.003 . 3 . . . A 746 TYR HD2 . 18182 1 1086 . 1 1 88 88 TYR HE1 H 1 6.184 0.003 . 3 . . . A 746 TYR HE1 . 18182 1 1087 . 1 1 88 88 TYR HE2 H 1 6.184 0.003 . 3 . . . A 746 TYR HE2 . 18182 1 1088 . 1 1 88 88 TYR C C 13 179.970 0.009 . 1 . . . A 746 TYR C . 18182 1 1089 . 1 1 88 88 TYR CA C 13 62.730 0.017 . 1 . . . A 746 TYR CA . 18182 1 1090 . 1 1 88 88 TYR CB C 13 38.888 0.066 . 1 . . . A 746 TYR CB . 18182 1 1091 . 1 1 88 88 TYR N N 15 120.102 0.013 . 1 . . . A 746 TYR N . 18182 1 1092 . 1 1 89 89 TYR H H 1 7.798 0.003 . 1 . . . A 747 TYR H . 18182 1 1093 . 1 1 89 89 TYR HA H 1 5.101 0.005 . 1 . . . A 747 TYR HA . 18182 1 1094 . 1 1 89 89 TYR HB2 H 1 2.415 0.006 . 2 . . . A 747 TYR HB2 . 18182 1 1095 . 1 1 89 89 TYR HB3 H 1 3.312 0.008 . 2 . . . A 747 TYR HB3 . 18182 1 1096 . 1 1 89 89 TYR HD1 H 1 7.235 0.009 . 3 . . . A 747 TYR HD1 . 18182 1 1097 . 1 1 89 89 TYR HD2 H 1 7.235 0.009 . 3 . . . A 747 TYR HD2 . 18182 1 1098 . 1 1 89 89 TYR HE1 H 1 6.888 0.003 . 3 . . . A 747 TYR HE1 . 18182 1 1099 . 1 1 89 89 TYR HE2 H 1 6.888 0.003 . 3 . . . A 747 TYR HE2 . 18182 1 1100 . 1 1 89 89 TYR C C 13 175.885 0.017 . 1 . . . A 747 TYR C . 18182 1 1101 . 1 1 89 89 TYR CA C 13 61.177 0.060 . 1 . . . A 747 TYR CA . 18182 1 1102 . 1 1 89 89 TYR CB C 13 37.043 0.072 . 1 . . . A 747 TYR CB . 18182 1 1103 . 1 1 89 89 TYR N N 15 118.508 0.012 . 1 . . . A 747 TYR N . 18182 1 1104 . 1 1 90 90 GLN H H 1 7.925 0.003 . 1 . . . A 748 GLN H . 18182 1 1105 . 1 1 90 90 GLN HA H 1 4.420 0.008 . 1 . . . A 748 GLN HA . 18182 1 1106 . 1 1 90 90 GLN HB2 H 1 1.975 0.003 . 2 . . . A 748 GLN HB2 . 18182 1 1107 . 1 1 90 90 GLN HB3 H 1 2.344 0.005 . 2 . . . A 748 GLN HB3 . 18182 1 1108 . 1 1 90 90 GLN HG2 H 1 2.595 0.006 . 2 . . . A 748 GLN HG2 . 18182 1 1109 . 1 1 90 90 GLN HG3 H 1 2.728 0.002 . 2 . . . A 748 GLN HG3 . 18182 1 1110 . 1 1 90 90 GLN HE21 H 1 7.032 0.002 . 2 . . . A 748 GLN HE21 . 18182 1 1111 . 1 1 90 90 GLN HE22 H 1 6.602 0.002 . 2 . . . A 748 GLN HE22 . 18182 1 1112 . 1 1 90 90 GLN C C 13 177.767 0.007 . 1 . . . A 748 GLN C . 18182 1 1113 . 1 1 90 90 GLN CA C 13 57.871 0.036 . 1 . . . A 748 GLN CA . 18182 1 1114 . 1 1 90 90 GLN CB C 13 28.673 0.074 . 1 . . . A 748 GLN CB . 18182 1 1115 . 1 1 90 90 GLN CG C 13 33.425 0.150 . 1 . . . A 748 GLN CG . 18182 1 1116 . 1 1 90 90 GLN N N 15 118.741 0.020 . 1 . . . A 748 GLN N . 18182 1 1117 . 1 1 90 90 GLN NE2 N 15 108.739 0.012 . 1 . . . A 748 GLN NE2 . 18182 1 1118 . 1 1 91 91 CYS H H 1 7.178 0.003 . 1 . . . A 749 CYS H . 18182 1 1119 . 1 1 91 91 CYS HA H 1 4.641 0.003 . 1 . . . A 749 CYS HA . 18182 1 1120 . 1 1 91 91 CYS HB2 H 1 2.696 0.006 . 2 . . . A 749 CYS HB2 . 18182 1 1121 . 1 1 91 91 CYS HB3 H 1 2.696 0.006 . 2 . . . A 749 CYS HB3 . 18182 1 1122 . 1 1 91 91 CYS C C 13 173.010 0.023 . 1 . . . A 749 CYS C . 18182 1 1123 . 1 1 91 91 CYS CA C 13 57.535 0.024 . 1 . . . A 749 CYS CA . 18182 1 1124 . 1 1 91 91 CYS CB C 13 29.179 0.006 . 1 . . . A 749 CYS CB . 18182 1 1125 . 1 1 91 91 CYS N N 15 111.312 0.015 . 1 . . . A 749 CYS N . 18182 1 1126 . 1 1 92 92 HIS H H 1 7.540 0.002 . 1 . . . A 750 HIS H . 18182 1 1127 . 1 1 92 92 HIS HA H 1 4.368 0.004 . 1 . . . A 750 HIS HA . 18182 1 1128 . 1 1 92 92 HIS HB2 H 1 2.070 0.005 . 2 . . . A 750 HIS HB2 . 18182 1 1129 . 1 1 92 92 HIS HB3 H 1 2.875 0.005 . 2 . . . A 750 HIS HB3 . 18182 1 1130 . 1 1 92 92 HIS HD2 H 1 6.904 0.003 . 1 . . . A 750 HIS HD2 . 18182 1 1131 . 1 1 92 92 HIS HE1 H 1 8.379 0.001 . 1 . . . A 750 HIS HE1 . 18182 1 1132 . 1 1 92 92 HIS C C 13 171.815 0.027 . 1 . . . A 750 HIS C . 18182 1 1133 . 1 1 92 92 HIS CA C 13 55.168 0.057 . 1 . . . A 750 HIS CA . 18182 1 1134 . 1 1 92 92 HIS CB C 13 29.306 0.046 . 1 . . . A 750 HIS CB . 18182 1 1135 . 1 1 92 92 HIS N N 15 120.386 0.005 . 1 . . . A 750 HIS N . 18182 1 1136 . 1 1 93 93 SER H H 1 8.397 0.003 . 1 . . . A 751 SER H . 18182 1 1137 . 1 1 93 93 SER HA H 1 3.812 0.004 . 1 . . . A 751 SER HA . 18182 1 1138 . 1 1 93 93 SER HB2 H 1 3.664 0.008 . 2 . . . A 751 SER HB2 . 18182 1 1139 . 1 1 93 93 SER HB3 H 1 3.938 0.008 . 2 . . . A 751 SER HB3 . 18182 1 1140 . 1 1 93 93 SER C C 13 176.644 0.012 . 1 . . . A 751 SER C . 18182 1 1141 . 1 1 93 93 SER CA C 13 58.040 0.027 . 1 . . . A 751 SER CA . 18182 1 1142 . 1 1 93 93 SER CB C 13 62.954 0.035 . 1 . . . A 751 SER CB . 18182 1 1143 . 1 1 93 93 SER N N 15 113.259 0.012 . 1 . . . A 751 SER N . 18182 1 1144 . 1 1 94 94 LEU H H 1 8.580 0.003 . 1 . . . A 752 LEU H . 18182 1 1145 . 1 1 94 94 LEU HA H 1 4.140 0.005 . 1 . . . A 752 LEU HA . 18182 1 1146 . 1 1 94 94 LEU HB2 H 1 1.512 0.007 . 2 . . . A 752 LEU HB2 . 18182 1 1147 . 1 1 94 94 LEU HB3 H 1 2.323 0.007 . 2 . . . A 752 LEU HB3 . 18182 1 1148 . 1 1 94 94 LEU HG H 1 1.634 0.006 . 1 . . . A 752 LEU HG . 18182 1 1149 . 1 1 94 94 LEU HD11 H 1 0.503 0.005 . 2 . . . A 752 LEU HD11 . 18182 1 1150 . 1 1 94 94 LEU HD12 H 1 0.503 0.005 . 2 . . . A 752 LEU HD12 . 18182 1 1151 . 1 1 94 94 LEU HD13 H 1 0.503 0.005 . 2 . . . A 752 LEU HD13 . 18182 1 1152 . 1 1 94 94 LEU HD21 H 1 0.266 0.004 . 2 . . . A 752 LEU HD21 . 18182 1 1153 . 1 1 94 94 LEU HD22 H 1 0.266 0.004 . 2 . . . A 752 LEU HD22 . 18182 1 1154 . 1 1 94 94 LEU HD23 H 1 0.266 0.004 . 2 . . . A 752 LEU HD23 . 18182 1 1155 . 1 1 94 94 LEU C C 13 177.462 0.004 . 1 . . . A 752 LEU C . 18182 1 1156 . 1 1 94 94 LEU CA C 13 58.300 0.012 . 1 . . . A 752 LEU CA . 18182 1 1157 . 1 1 94 94 LEU CB C 13 42.332 0.060 . 1 . . . A 752 LEU CB . 18182 1 1158 . 1 1 94 94 LEU CG C 13 28.265 0.150 . 1 . . . A 752 LEU CG . 18182 1 1159 . 1 1 94 94 LEU CD1 C 13 23.967 0.150 . 2 . . . A 752 LEU CD1 . 18182 1 1160 . 1 1 94 94 LEU CD2 C 13 23.967 0.150 . 2 . . . A 752 LEU CD2 . 18182 1 1161 . 1 1 94 94 LEU N N 15 127.166 0.031 . 1 . . . A 752 LEU N . 18182 1 1162 . 1 1 95 95 LYS H H 1 8.322 0.005 . 1 . . . A 753 LYS H . 18182 1 1163 . 1 1 95 95 LYS HA H 1 4.440 0.005 . 1 . . . A 753 LYS HA . 18182 1 1164 . 1 1 95 95 LYS HB2 H 1 1.456 0.003 . 2 . . . A 753 LYS HB2 . 18182 1 1165 . 1 1 95 95 LYS HB3 H 1 1.736 0.005 . 2 . . . A 753 LYS HB3 . 18182 1 1166 . 1 1 95 95 LYS HG2 H 1 1.269 0.007 . 2 . . . A 753 LYS HG2 . 18182 1 1167 . 1 1 95 95 LYS HG3 H 1 1.269 0.007 . 2 . . . A 753 LYS HG3 . 18182 1 1168 . 1 1 95 95 LYS HE2 H 1 2.917 0.004 . 2 . . . A 753 LYS HE2 . 18182 1 1169 . 1 1 95 95 LYS HE3 H 1 2.917 0.004 . 2 . . . A 753 LYS HE3 . 18182 1 1170 . 1 1 95 95 LYS C C 13 176.253 0.100 . 1 . . . A 753 LYS C . 18182 1 1171 . 1 1 95 95 LYS CA C 13 57.229 0.050 . 1 . . . A 753 LYS CA . 18182 1 1172 . 1 1 95 95 LYS CB C 13 32.344 0.001 . 1 . . . A 753 LYS CB . 18182 1 1173 . 1 1 95 95 LYS CG C 13 24.552 0.150 . 1 . . . A 753 LYS CG . 18182 1 1174 . 1 1 95 95 LYS CD C 13 29.672 0.150 . 1 . . . A 753 LYS CD . 18182 1 1175 . 1 1 95 95 LYS CE C 13 42.139 0.150 . 1 . . . A 753 LYS CE . 18182 1 1176 . 1 1 95 95 LYS N N 15 122.119 0.002 . 1 . . . A 753 LYS N . 18182 1 1177 . 1 1 96 96 GLU H H 1 7.197 0.003 . 1 . . . A 754 GLU H . 18182 1 1178 . 1 1 96 96 GLU HA H 1 4.137 0.002 . 1 . . . A 754 GLU HA . 18182 1 1179 . 1 1 96 96 GLU HB2 H 1 2.213 0.006 . 2 . . . A 754 GLU HB2 . 18182 1 1180 . 1 1 96 96 GLU HB3 H 1 2.213 0.006 . 2 . . . A 754 GLU HB3 . 18182 1 1181 . 1 1 96 96 GLU HG2 H 1 2.436 0.004 . 2 . . . A 754 GLU HG2 . 18182 1 1182 . 1 1 96 96 GLU HG3 H 1 2.607 0.004 . 2 . . . A 754 GLU HG3 . 18182 1 1183 . 1 1 96 96 GLU C C 13 176.704 0.003 . 1 . . . A 754 GLU C . 18182 1 1184 . 1 1 96 96 GLU CA C 13 58.489 0.019 . 1 . . . A 754 GLU CA . 18182 1 1185 . 1 1 96 96 GLU CB C 13 29.677 0.100 . 1 . . . A 754 GLU CB . 18182 1 1186 . 1 1 96 96 GLU CG C 13 35.041 0.150 . 1 . . . A 754 GLU CG . 18182 1 1187 . 1 1 96 96 GLU N N 15 115.310 0.052 . 1 . . . A 754 GLU N . 18182 1 1188 . 1 1 97 97 SER H H 1 7.857 0.003 . 1 . . . A 755 SER H . 18182 1 1189 . 1 1 97 97 SER HA H 1 4.583 0.004 . 1 . . . A 755 SER HA . 18182 1 1190 . 1 1 97 97 SER HB2 H 1 3.351 0.032 . 2 . . . A 755 SER HB2 . 18182 1 1191 . 1 1 97 97 SER HB3 H 1 3.459 0.006 . 2 . . . A 755 SER HB3 . 18182 1 1192 . 1 1 97 97 SER C C 13 171.185 0.031 . 1 . . . A 755 SER C . 18182 1 1193 . 1 1 97 97 SER CA C 13 59.569 0.156 . 1 . . . A 755 SER CA . 18182 1 1194 . 1 1 97 97 SER CB C 13 66.435 0.073 . 1 . . . A 755 SER CB . 18182 1 1195 . 1 1 97 97 SER N N 15 113.390 0.006 . 1 . . . A 755 SER N . 18182 1 1196 . 1 1 98 98 PHE H H 1 8.409 0.004 . 1 . . . A 756 PHE H . 18182 1 1197 . 1 1 98 98 PHE HA H 1 4.765 0.004 . 1 . . . A 756 PHE HA . 18182 1 1198 . 1 1 98 98 PHE HB2 H 1 2.725 0.007 . 2 . . . A 756 PHE HB2 . 18182 1 1199 . 1 1 98 98 PHE HB3 H 1 2.961 0.003 . 2 . . . A 756 PHE HB3 . 18182 1 1200 . 1 1 98 98 PHE HD1 H 1 7.186 0.003 . 3 . . . A 756 PHE HD1 . 18182 1 1201 . 1 1 98 98 PHE HD2 H 1 7.186 0.003 . 3 . . . A 756 PHE HD2 . 18182 1 1202 . 1 1 98 98 PHE HE1 H 1 6.943 0.004 . 3 . . . A 756 PHE HE1 . 18182 1 1203 . 1 1 98 98 PHE HE2 H 1 6.943 0.004 . 3 . . . A 756 PHE HE2 . 18182 1 1204 . 1 1 98 98 PHE C C 13 175.774 0.014 . 1 . . . A 756 PHE C . 18182 1 1205 . 1 1 98 98 PHE CA C 13 56.871 0.039 . 1 . . . A 756 PHE CA . 18182 1 1206 . 1 1 98 98 PHE CB C 13 39.711 0.041 . 1 . . . A 756 PHE CB . 18182 1 1207 . 1 1 98 98 PHE N N 15 121.328 0.020 . 1 . . . A 756 PHE N . 18182 1 1208 . 1 1 99 99 LYS H H 1 8.602 0.004 . 1 . . . A 757 LYS H . 18182 1 1209 . 1 1 99 99 LYS HA H 1 4.113 0.002 . 1 . . . A 757 LYS HA . 18182 1 1210 . 1 1 99 99 LYS HB2 H 1 1.913 0.001 . 2 . . . A 757 LYS HB2 . 18182 1 1211 . 1 1 99 99 LYS HB3 H 1 1.876 0.004 . 2 . . . A 757 LYS HB3 . 18182 1 1212 . 1 1 99 99 LYS HG2 H 1 1.462 0.004 . 2 . . . A 757 LYS HG2 . 18182 1 1213 . 1 1 99 99 LYS HG3 H 1 1.462 0.004 . 2 . . . A 757 LYS HG3 . 18182 1 1214 . 1 1 99 99 LYS HD2 H 1 1.686 0.003 . 2 . . . A 757 LYS HD2 . 18182 1 1215 . 1 1 99 99 LYS HD3 H 1 1.686 0.003 . 2 . . . A 757 LYS HD3 . 18182 1 1216 . 1 1 99 99 LYS HE2 H 1 2.972 0.003 . 2 . . . A 757 LYS HE2 . 18182 1 1217 . 1 1 99 99 LYS HE3 H 1 2.972 0.003 . 2 . . . A 757 LYS HE3 . 18182 1 1218 . 1 1 99 99 LYS C C 13 177.188 0.004 . 1 . . . A 757 LYS C . 18182 1 1219 . 1 1 99 99 LYS CA C 13 59.736 0.078 . 1 . . . A 757 LYS CA . 18182 1 1220 . 1 1 99 99 LYS CB C 13 32.356 0.031 . 1 . . . A 757 LYS CB . 18182 1 1221 . 1 1 99 99 LYS CG C 13 24.847 0.150 . 1 . . . A 757 LYS CG . 18182 1 1222 . 1 1 99 99 LYS CD C 13 29.192 0.150 . 1 . . . A 757 LYS CD . 18182 1 1223 . 1 1 99 99 LYS CE C 13 42.136 0.150 . 1 . . . A 757 LYS CE . 18182 1 1224 . 1 1 99 99 LYS N N 15 121.656 0.039 . 1 . . . A 757 LYS N . 18182 1 1225 . 1 1 100 100 GLN H H 1 9.139 0.003 . 1 . . . A 758 GLN H . 18182 1 1226 . 1 1 100 100 GLN HA H 1 4.383 0.004 . 1 . . . A 758 GLN HA . 18182 1 1227 . 1 1 100 100 GLN HB2 H 1 2.046 0.006 . 2 . . . A 758 GLN HB2 . 18182 1 1228 . 1 1 100 100 GLN HB3 H 1 2.299 0.003 . 2 . . . A 758 GLN HB3 . 18182 1 1229 . 1 1 100 100 GLN HG2 H 1 2.290 0.003 . 2 . . . A 758 GLN HG2 . 18182 1 1230 . 1 1 100 100 GLN HG3 H 1 2.517 0.003 . 2 . . . A 758 GLN HG3 . 18182 1 1231 . 1 1 100 100 GLN HE21 H 1 7.533 0.010 . 2 . . . A 758 GLN HE21 . 18182 1 1232 . 1 1 100 100 GLN HE22 H 1 6.965 0.010 . 2 . . . A 758 GLN HE22 . 18182 1 1233 . 1 1 100 100 GLN C C 13 175.849 0.013 . 1 . . . A 758 GLN C . 18182 1 1234 . 1 1 100 100 GLN CA C 13 55.832 0.045 . 1 . . . A 758 GLN CA . 18182 1 1235 . 1 1 100 100 GLN CB C 13 28.317 0.034 . 1 . . . A 758 GLN CB . 18182 1 1236 . 1 1 100 100 GLN CG C 13 34.037 0.150 . 1 . . . A 758 GLN CG . 18182 1 1237 . 1 1 100 100 GLN N N 15 115.783 0.025 . 1 . . . A 758 GLN N . 18182 1 1238 . 1 1 100 100 GLN NE2 N 15 111.787 0.100 . 1 . . . A 758 GLN NE2 . 18182 1 1239 . 1 1 101 101 LEU H H 1 7.924 0.002 . 1 . . . A 759 LEU H . 18182 1 1240 . 1 1 101 101 LEU HA H 1 3.692 0.006 . 1 . . . A 759 LEU HA . 18182 1 1241 . 1 1 101 101 LEU HB2 H 1 1.258 0.004 . 2 . . . A 759 LEU HB2 . 18182 1 1242 . 1 1 101 101 LEU HB3 H 1 1.258 0.004 . 2 . . . A 759 LEU HB3 . 18182 1 1243 . 1 1 101 101 LEU HG H 1 1.238 0.005 . 1 . . . A 759 LEU HG . 18182 1 1244 . 1 1 101 101 LEU HD11 H 1 0.287 0.005 . 2 . . . A 759 LEU HD11 . 18182 1 1245 . 1 1 101 101 LEU HD12 H 1 0.287 0.005 . 2 . . . A 759 LEU HD12 . 18182 1 1246 . 1 1 101 101 LEU HD13 H 1 0.287 0.005 . 2 . . . A 759 LEU HD13 . 18182 1 1247 . 1 1 101 101 LEU HD21 H 1 0.224 0.004 . 2 . . . A 759 LEU HD21 . 18182 1 1248 . 1 1 101 101 LEU HD22 H 1 0.224 0.004 . 2 . . . A 759 LEU HD22 . 18182 1 1249 . 1 1 101 101 LEU HD23 H 1 0.224 0.004 . 2 . . . A 759 LEU HD23 . 18182 1 1250 . 1 1 101 101 LEU C C 13 173.219 0.013 . 1 . . . A 759 LEU C . 18182 1 1251 . 1 1 101 101 LEU CA C 13 52.448 0.054 . 1 . . . A 759 LEU CA . 18182 1 1252 . 1 1 101 101 LEU CB C 13 41.988 0.108 . 1 . . . A 759 LEU CB . 18182 1 1253 . 1 1 101 101 LEU CG C 13 26.593 0.005 . 1 . . . A 759 LEU CG . 18182 1 1254 . 1 1 101 101 LEU CD1 C 13 25.218 0.150 . 2 . . . A 759 LEU CD1 . 18182 1 1255 . 1 1 101 101 LEU CD2 C 13 25.218 0.150 . 2 . . . A 759 LEU CD2 . 18182 1 1256 . 1 1 101 101 LEU N N 15 124.876 0.032 . 1 . . . A 759 LEU N . 18182 1 1257 . 1 1 102 102 ASP H H 1 6.564 0.004 . 1 . . . A 760 ASP H . 18182 1 1258 . 1 1 102 102 ASP HA H 1 4.567 0.003 . 1 . . . A 760 ASP HA . 18182 1 1259 . 1 1 102 102 ASP HB2 H 1 2.316 0.003 . 2 . . . A 760 ASP HB2 . 18182 1 1260 . 1 1 102 102 ASP HB3 H 1 3.036 0.003 . 2 . . . A 760 ASP HB3 . 18182 1 1261 . 1 1 102 102 ASP C C 13 173.570 0.011 . 1 . . . A 760 ASP C . 18182 1 1262 . 1 1 102 102 ASP CA C 13 51.875 0.082 . 1 . . . A 760 ASP CA . 18182 1 1263 . 1 1 102 102 ASP CB C 13 39.029 0.055 . 1 . . . A 760 ASP CB . 18182 1 1264 . 1 1 102 102 ASP N N 15 119.263 0.010 . 1 . . . A 760 ASP N . 18182 1 1265 . 1 1 103 103 THR H H 1 7.699 0.003 . 1 . . . A 761 THR H . 18182 1 1266 . 1 1 103 103 THR HA H 1 4.701 0.004 . 1 . . . A 761 THR HA . 18182 1 1267 . 1 1 103 103 THR HB H 1 4.035 0.001 . 1 . . . A 761 THR HB . 18182 1 1268 . 1 1 103 103 THR HG1 H 1 6.281 0.005 . 1 . . . A 761 THR HG1 . 18182 1 1269 . 1 1 103 103 THR HG21 H 1 0.612 0.004 . 1 . . . A 761 THR HG21 . 18182 1 1270 . 1 1 103 103 THR HG22 H 1 0.612 0.004 . 1 . . . A 761 THR HG22 . 18182 1 1271 . 1 1 103 103 THR HG23 H 1 0.612 0.004 . 1 . . . A 761 THR HG23 . 18182 1 1272 . 1 1 103 103 THR C C 13 172.169 0.013 . 1 . . . A 761 THR C . 18182 1 1273 . 1 1 103 103 THR CA C 13 60.491 0.036 . 1 . . . A 761 THR CA . 18182 1 1274 . 1 1 103 103 THR CB C 13 69.358 0.082 . 1 . . . A 761 THR CB . 18182 1 1275 . 1 1 103 103 THR CG2 C 13 19.420 0.150 . 1 . . . A 761 THR CG2 . 18182 1 1276 . 1 1 103 103 THR N N 15 117.311 0.034 . 1 . . . A 761 THR N . 18182 1 1277 . 1 1 104 104 THR H H 1 7.300 0.002 . 1 . . . A 762 THR H . 18182 1 1278 . 1 1 104 104 THR HA H 1 4.603 0.005 . 1 . . . A 762 THR HA . 18182 1 1279 . 1 1 104 104 THR HB H 1 4.053 0.003 . 1 . . . A 762 THR HB . 18182 1 1280 . 1 1 104 104 THR HG21 H 1 0.746 0.002 . 1 . . . A 762 THR HG21 . 18182 1 1281 . 1 1 104 104 THR HG22 H 1 0.746 0.002 . 1 . . . A 762 THR HG22 . 18182 1 1282 . 1 1 104 104 THR HG23 H 1 0.746 0.002 . 1 . . . A 762 THR HG23 . 18182 1 1283 . 1 1 104 104 THR C C 13 175.647 0.100 . 1 . . . A 762 THR C . 18182 1 1284 . 1 1 104 104 THR CA C 13 60.899 0.063 . 1 . . . A 762 THR CA . 18182 1 1285 . 1 1 104 104 THR CB C 13 70.981 0.075 . 1 . . . A 762 THR CB . 18182 1 1286 . 1 1 104 104 THR CG2 C 13 21.925 0.150 . 1 . . . A 762 THR CG2 . 18182 1 1287 . 1 1 104 104 THR N N 15 114.211 0.011 . 1 . . . A 762 THR N . 18182 1 1288 . 1 1 105 105 LEU H H 1 8.113 0.005 . 1 . . . A 763 LEU H . 18182 1 1289 . 1 1 105 105 LEU HA H 1 3.523 0.006 . 1 . . . A 763 LEU HA . 18182 1 1290 . 1 1 105 105 LEU HB2 H 1 0.878 0.005 . 2 . . . A 763 LEU HB2 . 18182 1 1291 . 1 1 105 105 LEU HB3 H 1 0.878 0.005 . 2 . . . A 763 LEU HB3 . 18182 1 1292 . 1 1 105 105 LEU HG H 1 1.088 0.004 . 1 . . . A 763 LEU HG . 18182 1 1293 . 1 1 105 105 LEU HD11 H 1 0.389 0.006 . 2 . . . A 763 LEU HD11 . 18182 1 1294 . 1 1 105 105 LEU HD12 H 1 0.389 0.006 . 2 . . . A 763 LEU HD12 . 18182 1 1295 . 1 1 105 105 LEU HD13 H 1 0.389 0.006 . 2 . . . A 763 LEU HD13 . 18182 1 1296 . 1 1 105 105 LEU HD21 H 1 0.120 0.004 . 2 . . . A 763 LEU HD21 . 18182 1 1297 . 1 1 105 105 LEU HD22 H 1 0.120 0.004 . 2 . . . A 763 LEU HD22 . 18182 1 1298 . 1 1 105 105 LEU HD23 H 1 0.120 0.004 . 2 . . . A 763 LEU HD23 . 18182 1 1299 . 1 1 105 105 LEU C C 13 174.500 0.019 . 1 . . . A 763 LEU C . 18182 1 1300 . 1 1 105 105 LEU CA C 13 54.155 0.069 . 1 . . . A 763 LEU CA . 18182 1 1301 . 1 1 105 105 LEU CB C 13 35.747 0.131 . 1 . . . A 763 LEU CB . 18182 1 1302 . 1 1 105 105 LEU CG C 13 24.856 0.015 . 1 . . . A 763 LEU CG . 18182 1 1303 . 1 1 105 105 LEU CD1 C 13 22.583 0.150 . 2 . . . A 763 LEU CD1 . 18182 1 1304 . 1 1 105 105 LEU CD2 C 13 25.824 0.150 . 2 . . . A 763 LEU CD2 . 18182 1 1305 . 1 1 105 105 LEU N N 15 117.640 0.017 . 1 . . . A 763 LEU N . 18182 1 1306 . 1 1 106 106 LYS H H 1 7.181 0.003 . 1 . . . A 764 LYS H . 18182 1 1307 . 1 1 106 106 LYS HA H 1 4.011 0.005 . 1 . . . A 764 LYS HA . 18182 1 1308 . 1 1 106 106 LYS HB2 H 1 0.977 0.005 . 2 . . . A 764 LYS HB2 . 18182 1 1309 . 1 1 106 106 LYS HB3 H 1 1.291 0.004 . 2 . . . A 764 LYS HB3 . 18182 1 1310 . 1 1 106 106 LYS HG2 H 1 0.414 0.006 . 2 . . . A 764 LYS HG2 . 18182 1 1311 . 1 1 106 106 LYS HG3 H 1 0.884 0.006 . 2 . . . A 764 LYS HG3 . 18182 1 1312 . 1 1 106 106 LYS HD2 H 1 1.428 0.006 . 2 . . . A 764 LYS HD2 . 18182 1 1313 . 1 1 106 106 LYS HD3 H 1 1.454 0.002 . 2 . . . A 764 LYS HD3 . 18182 1 1314 . 1 1 106 106 LYS HE2 H 1 2.854 0.003 . 2 . . . A 764 LYS HE2 . 18182 1 1315 . 1 1 106 106 LYS HE3 H 1 2.854 0.003 . 2 . . . A 764 LYS HE3 . 18182 1 1316 . 1 1 106 106 LYS C C 13 176.781 0.006 . 1 . . . A 764 LYS C . 18182 1 1317 . 1 1 106 106 LYS CA C 13 59.888 0.004 . 1 . . . A 764 LYS CA . 18182 1 1318 . 1 1 106 106 LYS CB C 13 35.223 0.047 . 1 . . . A 764 LYS CB . 18182 1 1319 . 1 1 106 106 LYS CG C 13 24.957 0.150 . 1 . . . A 764 LYS CG . 18182 1 1320 . 1 1 106 106 LYS CD C 13 29.865 0.150 . 1 . . . A 764 LYS CD . 18182 1 1321 . 1 1 106 106 LYS CE C 13 42.183 0.150 . 1 . . . A 764 LYS CE . 18182 1 1322 . 1 1 106 106 LYS N N 15 127.345 0.023 . 1 . . . A 764 LYS N . 18182 1 1323 . 1 1 107 107 TYR H H 1 7.877 0.003 . 1 . . . A 765 TYR H . 18182 1 1324 . 1 1 107 107 TYR HA H 1 5.521 0.003 . 1 . . . A 765 TYR HA . 18182 1 1325 . 1 1 107 107 TYR HB2 H 1 3.036 0.005 . 2 . . . A 765 TYR HB2 . 18182 1 1326 . 1 1 107 107 TYR HB3 H 1 3.036 0.005 . 2 . . . A 765 TYR HB3 . 18182 1 1327 . 1 1 107 107 TYR HD1 H 1 7.115 0.006 . 3 . . . A 765 TYR HD1 . 18182 1 1328 . 1 1 107 107 TYR HD2 H 1 7.115 0.006 . 3 . . . A 765 TYR HD2 . 18182 1 1329 . 1 1 107 107 TYR HE1 H 1 6.910 0.004 . 3 . . . A 765 TYR HE1 . 18182 1 1330 . 1 1 107 107 TYR HE2 H 1 6.910 0.004 . 3 . . . A 765 TYR HE2 . 18182 1 1331 . 1 1 107 107 TYR C C 13 172.106 0.100 . 1 . . . A 765 TYR C . 18182 1 1332 . 1 1 107 107 TYR CA C 13 52.621 0.150 . 1 . . . A 765 TYR CA . 18182 1 1333 . 1 1 107 107 TYR CB C 13 40.518 0.150 . 1 . . . A 765 TYR CB . 18182 1 1334 . 1 1 107 107 TYR N N 15 115.756 0.031 . 1 . . . A 765 TYR N . 18182 1 1335 . 1 1 108 108 PRO HA H 1 3.673 0.005 . 1 . . . A 766 PRO HA . 18182 1 1336 . 1 1 108 108 PRO HB2 H 1 1.866 0.010 . 2 . . . A 766 PRO HB2 . 18182 1 1337 . 1 1 108 108 PRO HB3 H 1 1.960 0.010 . 2 . . . A 766 PRO HB3 . 18182 1 1338 . 1 1 108 108 PRO HG2 H 1 2.234 0.006 . 2 . . . A 766 PRO HG2 . 18182 1 1339 . 1 1 108 108 PRO HG3 H 1 2.369 0.004 . 2 . . . A 766 PRO HG3 . 18182 1 1340 . 1 1 108 108 PRO HD2 H 1 3.957 0.001 . 2 . . . A 766 PRO HD2 . 18182 1 1341 . 1 1 108 108 PRO HD3 H 1 4.297 0.004 . 2 . . . A 766 PRO HD3 . 18182 1 1342 . 1 1 108 108 PRO C C 13 180.696 0.100 . 1 . . . A 766 PRO C . 18182 1 1343 . 1 1 108 108 PRO CA C 13 62.611 0.150 . 1 . . . A 766 PRO CA . 18182 1 1344 . 1 1 108 108 PRO CD C 13 50.705 0.002 . 1 . . . A 766 PRO CD . 18182 1 1345 . 1 1 109 109 TYR H H 1 8.341 0.003 . 1 . . . A 767 TYR H . 18182 1 1346 . 1 1 109 109 TYR HA H 1 3.817 0.004 . 1 . . . A 767 TYR HA . 18182 1 1347 . 1 1 109 109 TYR HB2 H 1 2.463 0.005 . 2 . . . A 767 TYR HB2 . 18182 1 1348 . 1 1 109 109 TYR HB3 H 1 2.707 0.005 . 2 . . . A 767 TYR HB3 . 18182 1 1349 . 1 1 109 109 TYR HD1 H 1 6.953 0.005 . 3 . . . A 767 TYR HD1 . 18182 1 1350 . 1 1 109 109 TYR HD2 H 1 6.953 0.005 . 3 . . . A 767 TYR HD2 . 18182 1 1351 . 1 1 109 109 TYR HE1 H 1 6.479 0.003 . 3 . . . A 767 TYR HE1 . 18182 1 1352 . 1 1 109 109 TYR HE2 H 1 6.479 0.003 . 3 . . . A 767 TYR HE2 . 18182 1 1353 . 1 1 109 109 TYR C C 13 174.769 0.016 . 1 . . . A 767 TYR C . 18182 1 1354 . 1 1 109 109 TYR CA C 13 61.183 0.150 . 1 . . . A 767 TYR CA . 18182 1 1355 . 1 1 109 109 TYR CB C 13 37.467 0.042 . 1 . . . A 767 TYR CB . 18182 1 1356 . 1 1 109 109 TYR N N 15 122.570 0.100 . 1 . . . A 767 TYR N . 18182 1 1357 . 1 1 110 110 LYS H H 1 6.790 0.003 . 1 . . . A 768 LYS H . 18182 1 1358 . 1 1 110 110 LYS HA H 1 3.942 0.006 . 1 . . . A 768 LYS HA . 18182 1 1359 . 1 1 110 110 LYS HB2 H 1 1.523 0.003 . 2 . . . A 768 LYS HB2 . 18182 1 1360 . 1 1 110 110 LYS HB3 H 1 1.465 0.002 . 2 . . . A 768 LYS HB3 . 18182 1 1361 . 1 1 110 110 LYS HG2 H 1 0.388 0.007 . 2 . . . A 768 LYS HG2 . 18182 1 1362 . 1 1 110 110 LYS HG3 H 1 0.719 0.003 . 2 . . . A 768 LYS HG3 . 18182 1 1363 . 1 1 110 110 LYS HD2 H 1 1.450 0.001 . 2 . . . A 768 LYS HD2 . 18182 1 1364 . 1 1 110 110 LYS HD3 H 1 1.450 0.001 . 2 . . . A 768 LYS HD3 . 18182 1 1365 . 1 1 110 110 LYS HE2 H 1 2.908 0.006 . 2 . . . A 768 LYS HE2 . 18182 1 1366 . 1 1 110 110 LYS HE3 H 1 2.908 0.006 . 2 . . . A 768 LYS HE3 . 18182 1 1367 . 1 1 110 110 LYS C C 13 176.453 0.010 . 1 . . . A 768 LYS C . 18182 1 1368 . 1 1 110 110 LYS CA C 13 56.901 0.015 . 1 . . . A 768 LYS CA . 18182 1 1369 . 1 1 110 110 LYS CB C 13 32.581 0.075 . 1 . . . A 768 LYS CB . 18182 1 1370 . 1 1 110 110 LYS CG C 13 24.970 0.150 . 1 . . . A 768 LYS CG . 18182 1 1371 . 1 1 110 110 LYS CD C 13 29.399 0.150 . 1 . . . A 768 LYS CD . 18182 1 1372 . 1 1 110 110 LYS CE C 13 42.197 0.150 . 1 . . . A 768 LYS CE . 18182 1 1373 . 1 1 110 110 LYS N N 15 118.398 0.026 . 1 . . . A 768 LYS N . 18182 1 1374 . 1 1 111 111 SER H H 1 7.769 0.002 . 1 . . . A 769 SER H . 18182 1 1375 . 1 1 111 111 SER HA H 1 4.384 0.004 . 1 . . . A 769 SER HA . 18182 1 1376 . 1 1 111 111 SER HB2 H 1 3.911 0.006 . 2 . . . A 769 SER HB2 . 18182 1 1377 . 1 1 111 111 SER HB3 H 1 3.911 0.006 . 2 . . . A 769 SER HB3 . 18182 1 1378 . 1 1 111 111 SER C C 13 174.124 0.025 . 1 . . . A 769 SER C . 18182 1 1379 . 1 1 111 111 SER CA C 13 58.802 0.093 . 1 . . . A 769 SER CA . 18182 1 1380 . 1 1 111 111 SER CB C 13 64.206 0.067 . 1 . . . A 769 SER CB . 18182 1 1381 . 1 1 111 111 SER N N 15 114.260 0.009 . 1 . . . A 769 SER N . 18182 1 1382 . 1 1 112 112 ARG H H 1 8.109 0.002 . 1 . . . A 770 ARG H . 18182 1 1383 . 1 1 112 112 ARG HA H 1 4.378 0.001 . 1 . . . A 770 ARG HA . 18182 1 1384 . 1 1 112 112 ARG HB2 H 1 1.690 0.002 . 2 . . . A 770 ARG HB2 . 18182 1 1385 . 1 1 112 112 ARG HB3 H 1 1.933 0.007 . 2 . . . A 770 ARG HB3 . 18182 1 1386 . 1 1 112 112 ARG HG2 H 1 1.577 0.005 . 2 . . . A 770 ARG HG2 . 18182 1 1387 . 1 1 112 112 ARG HG3 H 1 1.694 0.002 . 2 . . . A 770 ARG HG3 . 18182 1 1388 . 1 1 112 112 ARG HD2 H 1 3.073 0.006 . 2 . . . A 770 ARG HD2 . 18182 1 1389 . 1 1 112 112 ARG HD3 H 1 3.073 0.006 . 2 . . . A 770 ARG HD3 . 18182 1 1390 . 1 1 112 112 ARG C C 13 175.139 0.005 . 1 . . . A 770 ARG C . 18182 1 1391 . 1 1 112 112 ARG CA C 13 55.628 0.098 . 1 . . . A 770 ARG CA . 18182 1 1392 . 1 1 112 112 ARG CB C 13 30.935 0.060 . 1 . . . A 770 ARG CB . 18182 1 1393 . 1 1 112 112 ARG CG C 13 26.734 0.150 . 1 . . . A 770 ARG CG . 18182 1 1394 . 1 1 112 112 ARG CD C 13 43.059 0.150 . 1 . . . A 770 ARG CD . 18182 1 1395 . 1 1 112 112 ARG N N 15 122.485 0.014 . 1 . . . A 770 ARG N . 18182 1 1396 . 1 1 113 113 GLU H H 1 7.933 0.005 . 1 . . . A 771 GLU H . 18182 1 1397 . 1 1 113 113 GLU HA H 1 4.076 0.003 . 1 . . . A 771 GLU HA . 18182 1 1398 . 1 1 113 113 GLU HB2 H 1 1.851 0.003 . 2 . . . A 771 GLU HB2 . 18182 1 1399 . 1 1 113 113 GLU HB3 H 1 2.005 0.009 . 2 . . . A 771 GLU HB3 . 18182 1 1400 . 1 1 113 113 GLU HG2 H 1 2.180 0.002 . 2 . . . A 771 GLU HG2 . 18182 1 1401 . 1 1 113 113 GLU HG3 H 1 2.180 0.002 . 2 . . . A 771 GLU HG3 . 18182 1 1402 . 1 1 113 113 GLU C C 13 180.992 0.100 . 1 . . . A 771 GLU C . 18182 1 1403 . 1 1 113 113 GLU CA C 13 58.333 0.150 . 1 . . . A 771 GLU CA . 18182 1 1404 . 1 1 113 113 GLU N N 15 126.820 0.004 . 1 . . . A 771 GLU N . 18182 1 1405 . 2 2 2 2 GLU HA H 1 4.631 0.002 . 1 . . . . 1405 GLU HA . 18182 1 1406 . 2 2 2 2 GLU HB2 H 1 1.859 0.001 . 2 . . . . 1405 GLU HB2 . 18182 1 1407 . 2 2 2 2 GLU HB3 H 1 2.080 0.002 . 2 . . . . 1405 GLU HB3 . 18182 1 1408 . 2 2 2 2 GLU HG2 H 1 2.316 0.002 . 2 . . . . 1405 GLU QG . 18182 1 1409 . 2 2 2 2 GLU HG3 H 1 2.316 0.002 . 2 . . . . 1405 GLU QG . 18182 1 1410 . 2 2 3 3 PRO HA H 1 4.375 0.002 . 1 . . . . 1406 PRO HA . 18182 1 1411 . 2 2 3 3 PRO HB2 H 1 1.714 0.004 . 2 . . . . 1406 PRO HB2 . 18182 1 1412 . 2 2 3 3 PRO HB3 H 1 2.178 0.003 . 2 . . . . 1406 PRO HB3 . 18182 1 1413 . 2 2 3 3 PRO HG2 H 1 1.995 0.005 . 2 . . . . 1406 PRO QG . 18182 1 1414 . 2 2 3 3 PRO HG3 H 1 1.995 0.005 . 2 . . . . 1406 PRO QG . 18182 1 1415 . 2 2 3 3 PRO HD2 H 1 3.694 0.003 . 2 . . . . 1406 PRO HD2 . 18182 1 1416 . 2 2 3 3 PRO HD3 H 1 3.791 0.003 . 2 . . . . 1406 PRO HD3 . 18182 1 1417 . 2 2 4 4 VAL HA H 1 4.028 0.003 . 1 . . . . 1407 VAL HA . 18182 1 1418 . 2 2 4 4 VAL HB H 1 1.943 0.003 . 1 . . . . 1407 VAL HB . 18182 1 1419 . 2 2 4 4 VAL HG11 H 1 0.871 0.003 . 2 . . . . 1407 VAL MG1 . 18182 1 1420 . 2 2 4 4 VAL HG12 H 1 0.871 0.003 . 2 . . . . 1407 VAL MG1 . 18182 1 1421 . 2 2 4 4 VAL HG13 H 1 0.871 0.003 . 2 . . . . 1407 VAL MG1 . 18182 1 1422 . 2 2 4 4 VAL HG21 H 1 0.826 0.003 . 2 . . . . 1407 VAL MG2 . 18182 1 1423 . 2 2 4 4 VAL HG22 H 1 0.826 0.003 . 2 . . . . 1407 VAL MG2 . 18182 1 1424 . 2 2 4 4 VAL HG23 H 1 0.826 0.003 . 2 . . . . 1407 VAL MG2 . 18182 1 1425 . 2 2 5 5 PTR HA H 1 4.605 0.002 . 1 . . . . 1408 PTR HA . 18182 1 1426 . 2 2 5 5 PTR HB2 H 1 2.885 0.005 . 1 . . . . 1408 PTR HB2 . 18182 1 1427 . 2 2 5 5 PTR HB3 H 1 3.045 0.005 . 1 . . . . 1408 PTR HB3 . 18182 1 1428 . 2 2 5 5 PTR HD1 H 1 7.066 0.003 . 1 . . . . 1408 PTR HD1 . 18182 1 1429 . 2 2 5 5 PTR HD2 H 1 7.126 0.004 . 1 . . . . 1408 PTR HD2 . 18182 1 1430 . 2 2 5 5 PTR HE1 H 1 6.800 0.004 . 1 . . . . 1408 PTR HE1 . 18182 1 1431 . 2 2 5 5 PTR HE2 H 1 6.998 0.007 . 1 . . . . 1408 PTR HE2 . 18182 1 1432 . 2 2 6 6 GLU H H 1 8.326 0.002 . 1 . . . . 1409 GLU HN . 18182 1 1433 . 2 2 6 6 GLU HA H 1 4.246 0.004 . 1 . . . . 1409 GLU HA . 18182 1 1434 . 2 2 6 6 GLU HB2 H 1 1.954 0.004 . 2 . . . . 1409 GLU HB2 . 18182 1 1435 . 2 2 6 6 GLU HB3 H 1 1.846 0.005 . 2 . . . . 1409 GLU HB3 . 18182 1 1436 . 2 2 6 6 GLU HG2 H 1 2.184 0.005 . 2 . . . . 1409 GLU QG . 18182 1 1437 . 2 2 6 6 GLU HG3 H 1 2.184 0.005 . 2 . . . . 1409 GLU QG . 18182 1 1438 . 2 2 7 7 GLU HA H 1 4.136 0.001 . 1 . . . . 1410 GLU HA . 18182 1 1439 . 2 2 7 7 GLU HB2 H 1 1.966 0.010 . 2 . . . . 1410 GLU QB . 18182 1 1440 . 2 2 7 7 GLU HB3 H 1 1.966 0.010 . 2 . . . . 1410 GLU QB . 18182 1 1441 . 2 2 7 7 GLU HG2 H 1 3.564 0.003 . 2 . . . . 1410 GLU QG . 18182 1 1442 . 2 2 7 7 GLU HG3 H 1 3.564 0.003 . 2 . . . . 1410 GLU QG . 18182 1 1443 . 2 2 8 8 VAL HA H 1 4.135 0.004 . 1 . . . . 1411 VAL HA . 18182 1 1444 . 2 2 8 8 VAL HB H 1 2.087 0.005 . 1 . . . . 1411 VAL HB . 18182 1 1445 . 2 2 8 8 VAL HG11 H 1 0.919 0.004 . 2 . . . . 1411 VAL QG . 18182 1 1446 . 2 2 8 8 VAL HG12 H 1 0.919 0.004 . 2 . . . . 1411 VAL QG . 18182 1 1447 . 2 2 8 8 VAL HG13 H 1 0.919 0.004 . 2 . . . . 1411 VAL QG . 18182 1 1448 . 2 2 8 8 VAL HG21 H 1 0.919 0.004 . 2 . . . . 1411 VAL QG . 18182 1 1449 . 2 2 8 8 VAL HG22 H 1 0.919 0.004 . 2 . . . . 1411 VAL QG . 18182 1 1450 . 2 2 8 8 VAL HG23 H 1 0.919 0.004 . 2 . . . . 1411 VAL QG . 18182 1 stop_ save_