data_16497 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16497 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for the Integrin AlphaIIb-Beta3 Transmembrane Complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-15 _Entry.Accession_date 2009-09-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Tong-Lay Lau . . . 16497 2 Tobias Ulmer . S. . 16497 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16497 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 203 16497 '15N chemical shifts' 71 16497 '1H chemical shifts' 462 16497 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-04-09 2009-09-15 update author 'add related PDB ID' 16497 1 . . 2009-09-24 2009-09-15 original author 'original release' 16497 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K9J 'BMRB Entry Tracking System' 16497 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16497 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19279667 _Citation.Full_citation . _Citation.Title 'The structure of the integrin alphaIIbbeta3 transmembrane complex explains integrin transmembrane signalling' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 9 _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 1351 _Citation.Page_last 1361 _Citation.Year 2009 _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 Tong-Lay Lau . . . 16497 1 2 Chungho Kim . . . 16497 1 3 Mark Ginsberg . H. . 16497 1 4 Tobias Ulmer . S. . 16497 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16497 _Assembly.ID 1 _Assembly.Name 'Integrin aIIbb3 transmembrane complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'Integrin aIIb transmembrane segment' 1 $Integrin_aIIb_transmembrane_segment_b3_complexed A . yes native no yes . . . 16497 1 2 'Integrin b3 transmembrane segment' 2 $Integrin_b3_transmembrane_segment_aIIb_complexed B . yes native no yes . . . 16497 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2K9J . . . . . 'structure of protein' 16497 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Integrin_aIIb_transmembrane_segment_b3_complexed _Entity.Sf_category entity _Entity.Sf_framecode Integrin_aIIb_transmembrane_segment_b3_complexed _Entity.Entry_ID 16497 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Integrin_aIIb_transmembrane_segment,_b3_complexed _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GALEERAIPIWWVLVGVLGG LLLLTILVLAMWKVGFFKRN RP ; _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 42 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 16496 . AIIbTMCD . . . . . 92.86 54 100.00 100.00 5.21e-05 . . . . 16497 1 2 no PDB 2K1A . "Bicelle-Embedded Integrin Alpha(Iib) Transmembrane Segment" . . . . . 100.00 42 100.00 100.00 2.08e-18 . . . . 16497 1 3 no PDB 2K9J . "Integrin Alphaiib-Beta3 Transmembrane Complex" . . . . . 100.00 42 100.00 100.00 2.08e-18 . . . . 16497 1 4 no PDB 2KNC . "Platelet Integrin Alfaiib-Beta3 Transmembrane-Cytoplasmic Heterocomplex" . . . . . 92.86 54 100.00 100.00 5.21e-05 . . . . 16497 1 5 no DBJ BAG37735 . "unnamed protein product [Homo sapiens]" . . . . . 97.62 1039 100.00 100.00 2.88e-18 . . . . 16497 1 6 no DBJ BAI46167 . "integrin, alpha 2b [synthetic construct]" . . . . . 97.62 1039 100.00 100.00 2.88e-18 . . . . 16497 1 7 no EMBL CAA29987 . "platelet glycoprotein IIb (648 AA) [Homo sapiens]" . . . . . 97.62 648 100.00 100.00 3.33e-19 . . . . 16497 1 8 no GB AAA35926 . "platelet glycoprotein IIb (GPIIb) [Homo sapiens]" . . . . . 95.24 1039 100.00 100.00 8.00e-05 . . . . 16497 1 9 no GB AAA52597 . "glycoprotein IIb, partial [Homo sapiens]" . . . . . 97.62 172 100.00 100.00 1.22e-17 . . . . 16497 1 10 no GB AAA53150 . "platelet Glycoprotein IIb (GPIIb), partial [Homo sapiens]" . . . . . 97.62 1039 100.00 100.00 2.88e-18 . . . . 16497 1 11 no GB AAA60114 . "platelet membrane glycoprotein IIb [Homo sapiens]" . . . . . 97.62 1039 100.00 100.00 2.88e-18 . . . . 16497 1 12 no GB AAA65936 . "glycoprotein IIb, partial [Papio cynocephalus]" . . . . . 97.62 604 100.00 100.00 1.66e-19 . . . . 16497 1 13 no PRF 1403305A . "protein GPIIb" . . . . . 97.62 649 100.00 100.00 3.82e-19 . . . . 16497 1 14 no REF NP_000410 . "integrin alpha-IIb preproprotein [Homo sapiens]" . . . . . 97.62 1039 100.00 100.00 2.88e-18 . . . . 16497 1 15 no REF XP_001114526 . "PREDICTED: integrin alpha-IIb [Macaca mulatta]" . . . . . 97.62 1039 100.00 100.00 1.03e-18 . . . . 16497 1 16 no REF XP_001150497 . "PREDICTED: integrin alpha-IIb isoform X2 [Pan troglodytes]" . . . . . 97.62 1108 100.00 100.00 1.63e-18 . . . . 16497 1 17 no REF XP_002827479 . "PREDICTED: integrin alpha-IIb [Pongo abelii]" . . . . . 97.62 1039 100.00 100.00 1.85e-18 . . . . 16497 1 18 no REF XP_003282434 . "PREDICTED: LOW QUALITY PROTEIN: integrin alpha-IIb [Nomascus leucogenys]" . . . . . 97.62 1040 100.00 100.00 1.45e-18 . . . . 16497 1 19 no SP P08514 . "RecName: Full=Integrin alpha-IIb; AltName: Full=GPalpha IIb; Short=GPIIb; AltName: Full=Platelet membrane glycoprotein IIb; Alt" . . . . . 97.62 1039 100.00 100.00 2.88e-18 . . . . 16497 1 20 no SP P53711 . "RecName: Full=Integrin alpha-IIb; AltName: Full=GPalpha IIb; Short=GPIIb; AltName: Full=Platelet membrane glycoprotein IIb; Alt" . . . . . 97.62 604 100.00 100.00 1.66e-19 . . . . 16497 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 1 957 GLY . 16497 1 2 958 ALA . 16497 1 3 959 LEU . 16497 1 4 960 GLU . 16497 1 5 961 GLU . 16497 1 6 962 ARG . 16497 1 7 963 ALA . 16497 1 8 964 ILE . 16497 1 9 965 PRO . 16497 1 10 966 ILE . 16497 1 11 967 TRP . 16497 1 12 968 TRP . 16497 1 13 969 VAL . 16497 1 14 970 LEU . 16497 1 15 971 VAL . 16497 1 16 972 GLY . 16497 1 17 973 VAL . 16497 1 18 974 LEU . 16497 1 19 975 GLY . 16497 1 20 976 GLY . 16497 1 21 977 LEU . 16497 1 22 978 LEU . 16497 1 23 979 LEU . 16497 1 24 980 LEU . 16497 1 25 981 THR . 16497 1 26 982 ILE . 16497 1 27 983 LEU . 16497 1 28 984 VAL . 16497 1 29 985 LEU . 16497 1 30 986 ALA . 16497 1 31 987 MET . 16497 1 32 988 TRP . 16497 1 33 989 LYS . 16497 1 34 990 VAL . 16497 1 35 991 GLY . 16497 1 36 992 PHE . 16497 1 37 993 PHE . 16497 1 38 994 LYS . 16497 1 39 995 ARG . 16497 1 40 996 ASN . 16497 1 41 997 ARG . 16497 1 42 998 PRO . 16497 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16497 1 . ALA 2 2 16497 1 . LEU 3 3 16497 1 . GLU 4 4 16497 1 . GLU 5 5 16497 1 . ARG 6 6 16497 1 . ALA 7 7 16497 1 . ILE 8 8 16497 1 . PRO 9 9 16497 1 . ILE 10 10 16497 1 . TRP 11 11 16497 1 . TRP 12 12 16497 1 . VAL 13 13 16497 1 . LEU 14 14 16497 1 . VAL 15 15 16497 1 . GLY 16 16 16497 1 . VAL 17 17 16497 1 . LEU 18 18 16497 1 . GLY 19 19 16497 1 . GLY 20 20 16497 1 . LEU 21 21 16497 1 . LEU 22 22 16497 1 . LEU 23 23 16497 1 . LEU 24 24 16497 1 . THR 25 25 16497 1 . ILE 26 26 16497 1 . LEU 27 27 16497 1 . VAL 28 28 16497 1 . LEU 29 29 16497 1 . ALA 30 30 16497 1 . MET 31 31 16497 1 . TRP 32 32 16497 1 . LYS 33 33 16497 1 . VAL 34 34 16497 1 . GLY 35 35 16497 1 . PHE 36 36 16497 1 . PHE 37 37 16497 1 . LYS 38 38 16497 1 . ARG 39 39 16497 1 . ASN 40 40 16497 1 . ARG 41 41 16497 1 . PRO 42 42 16497 1 stop_ save_ save_Integrin_b3_transmembrane_segment_aIIb_complexed _Entity.Sf_category entity _Entity.Sf_framecode Integrin_b3_transmembrane_segment_aIIb_complexed _Entity.Entry_ID 16497 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Integrin_b3_transmembrane_segment,_aIIb_complexed _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PESPKGPDILVVLLSVMGAI LLIGLAALLIWKLLITIHDR KEF ; _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 43 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 16496 . B3TMCD . . . . . 90.70 79 100.00 100.00 6.87e-07 . . . . 16497 2 2 no BMRB 17185 . beta3 . . . . . 100.00 43 100.00 100.00 2.90e-19 . . . . 16497 2 3 no PDB 2K9J . "Integrin Alphaiib-Beta3 Transmembrane Complex" . . . . . 100.00 43 100.00 100.00 2.90e-19 . . . . 16497 2 4 no PDB 2KNC . "Platelet Integrin Alfaiib-Beta3 Transmembrane-Cytoplasmic Heterocomplex" . . . . . 90.70 79 100.00 100.00 6.87e-07 . . . . 16497 2 5 no PDB 2RMZ . "Bicelle-Embedded Integrin Beta3 Transmembrane Segment" . . . . . 100.00 43 100.00 100.00 2.90e-19 . . . . 16497 2 6 no PDB 2RN0 . "Micelle-Embedded Integrin Beta3 Transmembrane Segment" . . . . . 100.00 43 100.00 100.00 2.90e-19 . . . . 16497 2 7 no DBJ BAG62151 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 751 97.67 97.67 8.70e-19 . . . . 16497 2 8 no DBJ BAJ17755 . "integrin, beta 3 [synthetic construct]" . . . . . 100.00 788 97.67 97.67 9.15e-19 . . . . 16497 2 9 no GB AAA35927 . "plate glycoprotein IIIa (GPIIIa) [Homo sapiens]" . . . . . 100.00 788 97.67 97.67 9.15e-19 . . . . 16497 2 10 no GB AAA36121 . "integrin beta-3, partial [Homo sapiens]" . . . . . 100.00 74 97.67 97.67 9.82e-19 . . . . 16497 2 11 no GB AAA52589 . "glycoprotein IIIa precursor [Homo sapiens]" . . . . . 100.00 788 97.67 97.67 9.15e-19 . . . . 16497 2 12 no GB AAA52600 . "platelet glycoprotein IIIa, partial [Homo sapiens]" . . . . . 100.00 761 97.67 97.67 8.83e-19 . . . . 16497 2 13 no GB AAA60122 . "glycoprotein IIIa [Homo sapiens]" . . . . . 100.00 788 97.67 97.67 9.15e-19 . . . . 16497 2 14 no REF NP_000203 . "integrin beta-3 precursor [Homo sapiens]" . . . . . 100.00 788 97.67 97.67 9.15e-19 . . . . 16497 2 15 no REF XP_002748172 . "PREDICTED: integrin beta-3 [Callithrix jacchus]" . . . . . 100.00 788 97.67 97.67 9.15e-19 . . . . 16497 2 16 no REF XP_002834363 . "PREDICTED: integrin beta-3 isoform X1 [Pongo abelii]" . . . . . 100.00 788 97.67 97.67 9.15e-19 . . . . 16497 2 17 no REF XP_003270746 . "PREDICTED: integrin beta-3 [Nomascus leucogenys]" . . . . . 100.00 788 97.67 97.67 9.15e-19 . . . . 16497 2 18 no REF XP_004041501 . "PREDICTED: integrin beta-3 [Gorilla gorilla gorilla]" . . . . . 100.00 788 97.67 97.67 9.15e-19 . . . . 16497 2 19 no SP P05106 . "RecName: Full=Integrin beta-3; AltName: Full=Platelet membrane glycoprotein IIIa; Short=GPIIIa; AltName: CD_antigen=CD61; Flags" . . . . . 100.00 788 97.67 97.67 9.15e-19 . . . . 16497 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 685 PRO . 16497 2 2 686 GLU . 16497 2 3 687 SER . 16497 2 4 688 PRO . 16497 2 5 689 LYS . 16497 2 6 690 GLY . 16497 2 7 691 PRO . 16497 2 8 692 ASP . 16497 2 9 693 ILE . 16497 2 10 694 LEU . 16497 2 11 695 VAL . 16497 2 12 696 VAL . 16497 2 13 697 LEU . 16497 2 14 698 LEU . 16497 2 15 699 SER . 16497 2 16 700 VAL . 16497 2 17 701 MET . 16497 2 18 702 GLY . 16497 2 19 703 ALA . 16497 2 20 704 ILE . 16497 2 21 705 LEU . 16497 2 22 706 LEU . 16497 2 23 707 ILE . 16497 2 24 708 GLY . 16497 2 25 709 LEU . 16497 2 26 710 ALA . 16497 2 27 711 ALA . 16497 2 28 712 LEU . 16497 2 29 713 LEU . 16497 2 30 714 ILE . 16497 2 31 715 TRP . 16497 2 32 716 LYS . 16497 2 33 717 LEU . 16497 2 34 718 LEU . 16497 2 35 719 ILE . 16497 2 36 720 THR . 16497 2 37 721 ILE . 16497 2 38 722 HIS . 16497 2 39 723 ASP . 16497 2 40 724 ARG . 16497 2 41 725 LYS . 16497 2 42 726 GLU . 16497 2 43 727 PHE . 16497 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 . PRO 1 1 16497 2 . GLU 2 2 16497 2 . SER 3 3 16497 2 . PRO 4 4 16497 2 . LYS 5 5 16497 2 . GLY 6 6 16497 2 . PRO 7 7 16497 2 . ASP 8 8 16497 2 . ILE 9 9 16497 2 . LEU 10 10 16497 2 . VAL 11 11 16497 2 . VAL 12 12 16497 2 . LEU 13 13 16497 2 . LEU 14 14 16497 2 . SER 15 15 16497 2 . VAL 16 16 16497 2 . MET 17 17 16497 2 . GLY 18 18 16497 2 . ALA 19 19 16497 2 . ILE 20 20 16497 2 . LEU 21 21 16497 2 . LEU 22 22 16497 2 . ILE 23 23 16497 2 . GLY 24 24 16497 2 . LEU 25 25 16497 2 . ALA 26 26 16497 2 . ALA 27 27 16497 2 . LEU 28 28 16497 2 . LEU 29 29 16497 2 . ILE 30 30 16497 2 . TRP 31 31 16497 2 . LYS 32 32 16497 2 . LEU 33 33 16497 2 . LEU 34 34 16497 2 . ILE 35 35 16497 2 . THR 36 36 16497 2 . ILE 37 37 16497 2 . HIS 38 38 16497 2 . ASP 39 39 16497 2 . ARG 40 40 16497 2 . LYS 41 41 16497 2 . GLU 42 42 16497 2 . PHE 43 43 16497 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 16497 _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 $Integrin_aIIb_transmembrane_segment_b3_complexed . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16497 1 2 2 $Integrin_b3_transmembrane_segment_aIIb_complexed . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16497 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 16497 _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 $Integrin_aIIb_transmembrane_segment_b3_complexed . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pET-44 . . . . . . 16497 1 2 2 $Integrin_b3_transmembrane_segment_aIIb_complexed . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pET-44 . . . . . . 16497 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16497 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Integrin aIIb transmembrane segment, b3 complexed' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $Integrin_aIIb_transmembrane_segment_b3_complexed . . 0.4 . . mM . . . . 16497 1 2 'Integrin b3 transmembrane segment, aIIb complexed' 'natural abundance' . . 2 $Integrin_b3_transmembrane_segment_aIIb_complexed . . 0.8 . . mM . . . . 16497 1 3 HEPES/NaOH 'natural abundance' . . . . . . 25 . . mM . . . . 16497 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16497 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16497 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16497 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Integrin aIIb transmembrane segment, b3 complexed' 'natural abundance' . . 1 $Integrin_aIIb_transmembrane_segment_b3_complexed . . 0.9 . . mM . . . . 16497 2 2 'Integrin b3 transmembrane segment, aIIb complexed' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 2 $Integrin_b3_transmembrane_segment_aIIb_complexed . . 0.6 . . mM . . . . 16497 2 3 HEPES/NaOH 'natural abundance' . . . . . . 25 . . mM . . . . 16497 2 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16497 2 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16497 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 16497 _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' 0.025 . M 16497 1 pH 7.4 . pH 16497 1 pressure 1 . atm 16497 1 temperature 301.2 . K 16497 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16497 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16497 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16497 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16497 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 16497 _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 Avance . 700 . . . 16497 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 16497 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16497 1 2 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16497 1 3 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16497 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16497 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16497 1 6 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16497 1 7 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16497 1 8 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16497 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 16497 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.742 internal indirect 0.25144954 . . . . . . . . . 16497 1 H 1 water protons . . . . ppm 4.742 internal direct 1 . . . . . . . . . 16497 1 N 15 water protons . . . . ppm 4.742 internal indirect 0.10132900 . . . . . . . . . 16497 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 16497 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 16497 1 2 '3D HNCA' . . . 16497 1 3 '3D HBHA(CO)NH' . . . 16497 1 4 '3D HBHA(CO)NH' . . . 16497 1 5 '3D H(CCO)NH' . . . 16497 1 6 '3D H(CCO)NH' . . . 16497 1 7 '3D HCCH-COSY' . . . 16497 1 8 '3D HCCH-COSY' . . . 16497 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 7 7 PRO HA H 1 4.362 0.020 . 1 . . . . 691 PRO HA . 16497 1 2 . 2 2 7 7 PRO HB2 H 1 2.254 0.020 . 2 . . . . 691 PRO HB2 . 16497 1 3 . 2 2 7 7 PRO HB3 H 1 1.873 0.020 . 2 . . . . 691 PRO HB3 . 16497 1 4 . 2 2 7 7 PRO C C 13 176.183 0.300 . 1 . . . . 691 PRO C . 16497 1 5 . 2 2 7 7 PRO CA C 13 62.991 0.300 . 1 . . . . 691 PRO CA . 16497 1 6 . 2 2 8 8 ASP H H 1 8.163 0.020 . 1 . . . . 692 ASP H . 16497 1 7 . 2 2 8 8 ASP HA H 1 4.453 0.020 . 1 . . . . 692 ASP HA . 16497 1 8 . 2 2 8 8 ASP HB2 H 1 2.751 0.020 . 1 . . . . 692 ASP HB2 . 16497 1 9 . 2 2 8 8 ASP HB3 H 1 2.751 0.020 . 1 . . . . 692 ASP HB3 . 16497 1 10 . 2 2 8 8 ASP C C 13 176.944 0.300 . 1 . . . . 692 ASP C . 16497 1 11 . 2 2 8 8 ASP CA C 13 54.399 0.300 . 1 . . . . 692 ASP CA . 16497 1 12 . 2 2 8 8 ASP N N 15 120.444 0.300 . 1 . . . . 692 ASP N . 16497 1 13 . 2 2 9 9 ILE H H 1 8.130 0.020 . 1 . . . . 693 ILE H . 16497 1 14 . 2 2 9 9 ILE HA H 1 3.789 0.020 . 1 . . . . 693 ILE HA . 16497 1 15 . 2 2 9 9 ILE HB H 1 1.954 0.020 . 1 . . . . 693 ILE HB . 16497 1 16 . 2 2 9 9 ILE HD11 H 1 0.877 0.020 . 1 . . . . 693 ILE HD1 . 16497 1 17 . 2 2 9 9 ILE HD12 H 1 0.877 0.020 . 1 . . . . 693 ILE HD1 . 16497 1 18 . 2 2 9 9 ILE HD13 H 1 0.877 0.020 . 1 . . . . 693 ILE HD1 . 16497 1 19 . 2 2 9 9 ILE C C 13 176.539 0.300 . 1 . . . . 693 ILE C . 16497 1 20 . 2 2 9 9 ILE CA C 13 63.863 0.300 . 1 . . . . 693 ILE CA . 16497 1 21 . 2 2 9 9 ILE CD1 C 13 13.078 0.300 . 1 . . . . 693 ILE CD1 . 16497 1 22 . 2 2 9 9 ILE N N 15 122.940 0.300 . 1 . . . . 693 ILE N . 16497 1 23 . 2 2 10 10 LEU H H 1 7.993 0.020 . 1 . . . . 694 LEU H . 16497 1 24 . 2 2 10 10 LEU HA H 1 4.030 0.020 . 1 . . . . 694 LEU HA . 16497 1 25 . 2 2 10 10 LEU HB2 H 1 1.747 0.020 . 2 . . . . 694 LEU HB2 . 16497 1 26 . 2 2 10 10 LEU HB3 H 1 1.747 0.020 . 2 . . . . 694 LEU HB3 . 16497 1 27 . 2 2 10 10 LEU HD11 H 1 0.979 0.020 . 1 . . . . 694 LEU HD1 . 16497 1 28 . 2 2 10 10 LEU HD12 H 1 0.979 0.020 . 1 . . . . 694 LEU HD1 . 16497 1 29 . 2 2 10 10 LEU HD13 H 1 0.979 0.020 . 1 . . . . 694 LEU HD1 . 16497 1 30 . 2 2 10 10 LEU HD21 H 1 0.979 0.020 . 1 . . . . 694 LEU HD2 . 16497 1 31 . 2 2 10 10 LEU HD22 H 1 0.979 0.020 . 1 . . . . 694 LEU HD2 . 16497 1 32 . 2 2 10 10 LEU HD23 H 1 0.979 0.020 . 1 . . . . 694 LEU HD2 . 16497 1 33 . 2 2 10 10 LEU C C 13 178.499 0.300 . 1 . . . . 694 LEU C . 16497 1 34 . 2 2 10 10 LEU CA C 13 57.775 0.300 . 1 . . . . 694 LEU CA . 16497 1 35 . 2 2 10 10 LEU CD1 C 13 24.112 0.300 . 1 . . . . 694 LEU CD1 . 16497 1 36 . 2 2 10 10 LEU CD2 C 13 24.112 0.300 . 1 . . . . 694 LEU CD2 . 16497 1 37 . 2 2 10 10 LEU N N 15 120.732 0.300 . 1 . . . . 694 LEU N . 16497 1 38 . 2 2 11 11 VAL H H 1 7.601 0.020 . 1 . . . . 695 VAL H . 16497 1 39 . 2 2 11 11 VAL HA H 1 3.596 0.020 . 1 . . . . 695 VAL HA . 16497 1 40 . 2 2 11 11 VAL HB H 1 2.278 0.020 . 1 . . . . 695 VAL HB . 16497 1 41 . 2 2 11 11 VAL HG11 H 1 1.108 0.020 . 1 . . . . 695 VAL HG1 . 16497 1 42 . 2 2 11 11 VAL HG12 H 1 1.108 0.020 . 1 . . . . 695 VAL HG1 . 16497 1 43 . 2 2 11 11 VAL HG13 H 1 1.108 0.020 . 1 . . . . 695 VAL HG1 . 16497 1 44 . 2 2 11 11 VAL HG21 H 1 0.971 0.020 . 1 . . . . 695 VAL HG2 . 16497 1 45 . 2 2 11 11 VAL HG22 H 1 0.971 0.020 . 1 . . . . 695 VAL HG2 . 16497 1 46 . 2 2 11 11 VAL HG23 H 1 0.971 0.020 . 1 . . . . 695 VAL HG2 . 16497 1 47 . 2 2 11 11 VAL C C 13 179.285 0.300 . 1 . . . . 695 VAL C . 16497 1 48 . 2 2 11 11 VAL CA C 13 66.397 0.300 . 1 . . . . 695 VAL CA . 16497 1 49 . 2 2 11 11 VAL CG1 C 13 22.906 0.300 . 1 . . . . 695 VAL CG1 . 16497 1 50 . 2 2 11 11 VAL CG2 C 13 21.065 0.300 . 1 . . . . 695 VAL CG2 . 16497 1 51 . 2 2 11 11 VAL N N 15 118.002 0.300 . 1 . . . . 695 VAL N . 16497 1 52 . 2 2 12 12 VAL H H 1 7.948 0.020 . 1 . . . . 696 VAL H . 16497 1 53 . 2 2 12 12 VAL HA H 1 3.551 0.020 . 1 . . . . 696 VAL HA . 16497 1 54 . 2 2 12 12 VAL HB H 1 2.342 0.020 . 1 . . . . 696 VAL HB . 16497 1 55 . 2 2 12 12 VAL HG11 H 1 1.088 0.020 . 1 . . . . 696 VAL HG1 . 16497 1 56 . 2 2 12 12 VAL HG12 H 1 1.088 0.020 . 1 . . . . 696 VAL HG1 . 16497 1 57 . 2 2 12 12 VAL HG13 H 1 1.088 0.020 . 1 . . . . 696 VAL HG1 . 16497 1 58 . 2 2 12 12 VAL HG21 H 1 0.925 0.020 . 1 . . . . 696 VAL HG2 . 16497 1 59 . 2 2 12 12 VAL HG22 H 1 0.925 0.020 . 1 . . . . 696 VAL HG2 . 16497 1 60 . 2 2 12 12 VAL HG23 H 1 0.925 0.020 . 1 . . . . 696 VAL HG2 . 16497 1 61 . 2 2 12 12 VAL C C 13 177.074 0.300 . 1 . . . . 696 VAL C . 16497 1 62 . 2 2 12 12 VAL CA C 13 66.931 0.300 . 1 . . . . 696 VAL CA . 16497 1 63 . 2 2 12 12 VAL CG1 C 13 22.593 0.300 . 1 . . . . 696 VAL CG1 . 16497 1 64 . 2 2 12 12 VAL CG2 C 13 21.141 0.300 . 1 . . . . 696 VAL CG2 . 16497 1 65 . 2 2 12 12 VAL N N 15 121.984 0.300 . 1 . . . . 696 VAL N . 16497 1 66 . 2 2 13 13 LEU H H 1 8.556 0.020 . 1 . . . . 697 LEU H . 16497 1 67 . 2 2 13 13 LEU HA H 1 3.869 0.020 . 1 . . . . 697 LEU HA . 16497 1 68 . 2 2 13 13 LEU HB2 H 1 1.911 0.020 . 2 . . . . 697 LEU HB2 . 16497 1 69 . 2 2 13 13 LEU HB3 H 1 1.911 0.020 . 2 . . . . 697 LEU HB3 . 16497 1 70 . 2 2 13 13 LEU HD11 H 1 0.861 0.020 . 1 . . . . 697 LEU HD1 . 16497 1 71 . 2 2 13 13 LEU HD12 H 1 0.861 0.020 . 1 . . . . 697 LEU HD1 . 16497 1 72 . 2 2 13 13 LEU HD13 H 1 0.861 0.020 . 1 . . . . 697 LEU HD1 . 16497 1 73 . 2 2 13 13 LEU HD21 H 1 0.841 0.020 . 1 . . . . 697 LEU HD2 . 16497 1 74 . 2 2 13 13 LEU HD22 H 1 0.841 0.020 . 1 . . . . 697 LEU HD2 . 16497 1 75 . 2 2 13 13 LEU HD23 H 1 0.841 0.020 . 1 . . . . 697 LEU HD2 . 16497 1 76 . 2 2 13 13 LEU C C 13 179.066 0.300 . 1 . . . . 697 LEU C . 16497 1 77 . 2 2 13 13 LEU CA C 13 58.507 0.300 . 1 . . . . 697 LEU CA . 16497 1 78 . 2 2 13 13 LEU CD1 C 13 24.182 0.300 . 1 . . . . 697 LEU CD1 . 16497 1 79 . 2 2 13 13 LEU CD2 C 13 23.667 0.300 . 1 . . . . 697 LEU CD2 . 16497 1 80 . 2 2 13 13 LEU N N 15 118.413 0.300 . 1 . . . . 697 LEU N . 16497 1 81 . 2 2 14 14 LEU H H 1 8.524 0.020 . 1 . . . . 698 LEU H . 16497 1 82 . 2 2 14 14 LEU HA H 1 4.021 0.020 . 1 . . . . 698 LEU HA . 16497 1 83 . 2 2 14 14 LEU HB2 H 1 1.863 0.020 . 2 . . . . 698 LEU HB2 . 16497 1 84 . 2 2 14 14 LEU HB3 H 1 1.457 0.020 . 2 . . . . 698 LEU HB3 . 16497 1 85 . 2 2 14 14 LEU HD11 H 1 0.882 0.020 . 1 . . . . 698 LEU HD1 . 16497 1 86 . 2 2 14 14 LEU HD12 H 1 0.882 0.020 . 1 . . . . 698 LEU HD1 . 16497 1 87 . 2 2 14 14 LEU HD13 H 1 0.882 0.020 . 1 . . . . 698 LEU HD1 . 16497 1 88 . 2 2 14 14 LEU HD21 H 1 0.849 0.020 . 1 . . . . 698 LEU HD2 . 16497 1 89 . 2 2 14 14 LEU HD22 H 1 0.849 0.020 . 1 . . . . 698 LEU HD2 . 16497 1 90 . 2 2 14 14 LEU HD23 H 1 0.849 0.020 . 1 . . . . 698 LEU HD2 . 16497 1 91 . 2 2 14 14 LEU C C 13 179.147 0.300 . 1 . . . . 698 LEU C . 16497 1 92 . 2 2 14 14 LEU CA C 13 57.671 0.300 . 1 . . . . 698 LEU CA . 16497 1 93 . 2 2 14 14 LEU CD1 C 13 25.230 0.300 . 1 . . . . 698 LEU CD1 . 16497 1 94 . 2 2 14 14 LEU CD2 C 13 22.855 0.300 . 1 . . . . 698 LEU CD2 . 16497 1 95 . 2 2 14 14 LEU N N 15 116.419 0.300 . 1 . . . . 698 LEU N . 16497 1 96 . 2 2 15 15 SER H H 1 8.078 0.020 . 1 . . . . 699 SER H . 16497 1 97 . 2 2 15 15 SER HA H 1 4.135 0.020 . 1 . . . . 699 SER HA . 16497 1 98 . 2 2 15 15 SER HB2 H 1 3.719 0.020 . 1 . . . . 699 SER HB2 . 16497 1 99 . 2 2 15 15 SER HB3 H 1 3.719 0.020 . 1 . . . . 699 SER HB3 . 16497 1 100 . 2 2 15 15 SER HG H 1 4.266 0.020 . 1 . . . . 699 SER HG . 16497 1 101 . 2 2 15 15 SER C C 13 175.462 0.300 . 1 . . . . 699 SER C . 16497 1 102 . 2 2 15 15 SER CA C 13 63.067 0.300 . 1 . . . . 699 SER CA . 16497 1 103 . 2 2 15 15 SER N N 15 115.587 0.300 . 1 . . . . 699 SER N . 16497 1 104 . 2 2 16 16 VAL H H 1 8.153 0.020 . 1 . . . . 700 VAL H . 16497 1 105 . 2 2 16 16 VAL HA H 1 3.564 0.020 . 1 . . . . 700 VAL HA . 16497 1 106 . 2 2 16 16 VAL HB H 1 2.095 0.020 . 1 . . . . 700 VAL HB . 16497 1 107 . 2 2 16 16 VAL HG11 H 1 1.061 0.020 . 1 . . . . 700 VAL HG1 . 16497 1 108 . 2 2 16 16 VAL HG12 H 1 1.061 0.020 . 1 . . . . 700 VAL HG1 . 16497 1 109 . 2 2 16 16 VAL HG13 H 1 1.061 0.020 . 1 . . . . 700 VAL HG1 . 16497 1 110 . 2 2 16 16 VAL HG21 H 1 0.911 0.020 . 1 . . . . 700 VAL HG2 . 16497 1 111 . 2 2 16 16 VAL HG22 H 1 0.911 0.020 . 1 . . . . 700 VAL HG2 . 16497 1 112 . 2 2 16 16 VAL HG23 H 1 0.911 0.020 . 1 . . . . 700 VAL HG2 . 16497 1 113 . 2 2 16 16 VAL C C 13 177.357 0.300 . 1 . . . . 700 VAL C . 16497 1 114 . 2 2 16 16 VAL CA C 13 66.528 0.300 . 1 . . . . 700 VAL CA . 16497 1 115 . 2 2 16 16 VAL CG1 C 13 23.024 0.300 . 1 . . . . 700 VAL CG1 . 16497 1 116 . 2 2 16 16 VAL CG2 C 13 21.291 0.300 . 1 . . . . 700 VAL CG2 . 16497 1 117 . 2 2 16 16 VAL N N 15 121.241 0.300 . 1 . . . . 700 VAL N . 16497 1 118 . 2 2 17 17 MET H H 1 8.339 0.020 . 1 . . . . 701 MET H . 16497 1 119 . 2 2 17 17 MET HA H 1 3.975 0.020 . 1 . . . . 701 MET HA . 16497 1 120 . 2 2 17 17 MET HB2 H 1 2.009 0.020 . 1 . . . . 701 MET HB2 . 16497 1 121 . 2 2 17 17 MET HB3 H 1 2.009 0.020 . 1 . . . . 701 MET HB3 . 16497 1 122 . 2 2 17 17 MET C C 13 178.321 0.300 . 1 . . . . 701 MET C . 16497 1 123 . 2 2 17 17 MET CA C 13 60.074 0.300 . 1 . . . . 701 MET CA . 16497 1 124 . 2 2 17 17 MET N N 15 117.048 0.300 . 1 . . . . 701 MET N . 16497 1 125 . 2 2 18 18 GLY H H 1 8.694 0.020 . 1 . . . . 702 GLY H . 16497 1 126 . 2 2 18 18 GLY HA2 H 1 3.613 0.020 . 1 . . . . 702 GLY HA2 . 16497 1 127 . 2 2 18 18 GLY HA3 H 1 3.613 0.020 . 1 . . . . 702 GLY HA3 . 16497 1 128 . 2 2 18 18 GLY C C 13 174.150 0.300 . 1 . . . . 702 GLY C . 16497 1 129 . 2 2 18 18 GLY CA C 13 46.750 0.300 . 1 . . . . 702 GLY CA . 16497 1 130 . 2 2 18 18 GLY N N 15 105.382 0.300 . 1 . . . . 702 GLY N . 16497 1 131 . 2 2 19 19 ALA H H 1 8.257 0.020 . 1 . . . . 703 ALA H . 16497 1 132 . 2 2 19 19 ALA HA H 1 3.995 0.020 . 1 . . . . 703 ALA HA . 16497 1 133 . 2 2 19 19 ALA HB1 H 1 1.447 0.020 . 1 . . . . 703 ALA HB . 16497 1 134 . 2 2 19 19 ALA HB2 H 1 1.447 0.020 . 1 . . . . 703 ALA HB . 16497 1 135 . 2 2 19 19 ALA HB3 H 1 1.447 0.020 . 1 . . . . 703 ALA HB . 16497 1 136 . 2 2 19 19 ALA C C 13 178.750 0.300 . 1 . . . . 703 ALA C . 16497 1 137 . 2 2 19 19 ALA CA C 13 55.293 0.300 . 1 . . . . 703 ALA CA . 16497 1 138 . 2 2 19 19 ALA N N 15 123.277 0.300 . 1 . . . . 703 ALA N . 16497 1 139 . 2 2 20 20 ILE H H 1 7.804 0.020 . 1 . . . . 704 ILE H . 16497 1 140 . 2 2 20 20 ILE HA H 1 3.545 0.020 . 1 . . . . 704 ILE HA . 16497 1 141 . 2 2 20 20 ILE HB H 1 1.993 0.020 . 1 . . . . 704 ILE HB . 16497 1 142 . 2 2 20 20 ILE HD11 H 1 0.779 0.020 . 1 . . . . 704 ILE HD1 . 16497 1 143 . 2 2 20 20 ILE HD12 H 1 0.779 0.020 . 1 . . . . 704 ILE HD1 . 16497 1 144 . 2 2 20 20 ILE HD13 H 1 0.779 0.020 . 1 . . . . 704 ILE HD1 . 16497 1 145 . 2 2 20 20 ILE C C 13 177.349 0.300 . 1 . . . . 704 ILE C . 16497 1 146 . 2 2 20 20 ILE CA C 13 64.098 0.300 . 1 . . . . 704 ILE CA . 16497 1 147 . 2 2 20 20 ILE CD1 C 13 13.128 0.300 . 1 . . . . 704 ILE CD1 . 16497 1 148 . 2 2 20 20 ILE N N 15 116.465 0.300 . 1 . . . . 704 ILE N . 16497 1 149 . 2 2 21 21 LEU H H 1 8.031 0.020 . 1 . . . . 705 LEU H . 16497 1 150 . 2 2 21 21 LEU HA H 1 3.980 0.020 . 1 . . . . 705 LEU HA . 16497 1 151 . 2 2 21 21 LEU HB2 H 1 1.812 0.020 . 2 . . . . 705 LEU HB2 . 16497 1 152 . 2 2 21 21 LEU HB3 H 1 1.656 0.020 . 2 . . . . 705 LEU HB3 . 16497 1 153 . 2 2 21 21 LEU HD11 H 1 0.880 0.020 . 1 . . . . 705 LEU HD1 . 16497 1 154 . 2 2 21 21 LEU HD12 H 1 0.880 0.020 . 1 . . . . 705 LEU HD1 . 16497 1 155 . 2 2 21 21 LEU HD13 H 1 0.880 0.020 . 1 . . . . 705 LEU HD1 . 16497 1 156 . 2 2 21 21 LEU HD21 H 1 0.880 0.020 . 1 . . . . 705 LEU HD2 . 16497 1 157 . 2 2 21 21 LEU HD22 H 1 0.880 0.020 . 1 . . . . 705 LEU HD2 . 16497 1 158 . 2 2 21 21 LEU HD23 H 1 0.880 0.020 . 1 . . . . 705 LEU HD2 . 16497 1 159 . 2 2 21 21 LEU C C 13 175.688 0.300 . 1 . . . . 705 LEU C . 16497 1 160 . 2 2 21 21 LEU CA C 13 57.775 0.300 . 1 . . . . 705 LEU CA . 16497 1 161 . 2 2 21 21 LEU CD1 C 13 24.445 0.300 . 1 . . . . 705 LEU CD1 . 16497 1 162 . 2 2 21 21 LEU CD2 C 13 24.445 0.300 . 1 . . . . 705 LEU CD2 . 16497 1 163 . 2 2 21 21 LEU N N 15 119.050 0.300 . 1 . . . . 705 LEU N . 16497 1 164 . 2 2 22 22 LEU H H 1 8.420 0.020 . 1 . . . . 706 LEU H . 16497 1 165 . 2 2 22 22 LEU HA H 1 3.991 0.020 . 1 . . . . 706 LEU HA . 16497 1 166 . 2 2 22 22 LEU HB2 H 1 1.847 0.020 . 2 . . . . 706 LEU HB2 . 16497 1 167 . 2 2 22 22 LEU HB3 H 1 1.634 0.020 . 2 . . . . 706 LEU HB3 . 16497 1 168 . 2 2 22 22 LEU HD11 H 1 0.853 0.020 . 1 . . . . 706 LEU HD1 . 16497 1 169 . 2 2 22 22 LEU HD12 H 1 0.853 0.020 . 1 . . . . 706 LEU HD1 . 16497 1 170 . 2 2 22 22 LEU HD13 H 1 0.853 0.020 . 1 . . . . 706 LEU HD1 . 16497 1 171 . 2 2 22 22 LEU HD21 H 1 0.853 0.020 . 1 . . . . 706 LEU HD2 . 16497 1 172 . 2 2 22 22 LEU HD22 H 1 0.853 0.020 . 1 . . . . 706 LEU HD2 . 16497 1 173 . 2 2 22 22 LEU HD23 H 1 0.853 0.020 . 1 . . . . 706 LEU HD2 . 16497 1 174 . 2 2 22 22 LEU C C 13 178.466 0.300 . 1 . . . . 706 LEU C . 16497 1 175 . 2 2 22 22 LEU CA C 13 57.880 0.300 . 1 . . . . 706 LEU CA . 16497 1 176 . 2 2 22 22 LEU CD1 C 13 23.727 0.300 . 1 . . . . 706 LEU CD1 . 16497 1 177 . 2 2 22 22 LEU CD2 C 13 23.727 0.300 . 1 . . . . 706 LEU CD2 . 16497 1 178 . 2 2 22 22 LEU N N 15 117.626 0.300 . 1 . . . . 706 LEU N . 16497 1 179 . 2 2 23 23 ILE H H 1 8.323 0.020 . 1 . . . . 707 ILE H . 16497 1 180 . 2 2 23 23 ILE HA H 1 3.516 0.020 . 1 . . . . 707 ILE HA . 16497 1 181 . 2 2 23 23 ILE HB H 1 1.943 0.020 . 1 . . . . 707 ILE HB . 16497 1 182 . 2 2 23 23 ILE HD11 H 1 0.773 0.020 . 1 . . . . 707 ILE HD1 . 16497 1 183 . 2 2 23 23 ILE HD12 H 1 0.773 0.020 . 1 . . . . 707 ILE HD1 . 16497 1 184 . 2 2 23 23 ILE HD13 H 1 0.773 0.020 . 1 . . . . 707 ILE HD1 . 16497 1 185 . 2 2 23 23 ILE C C 13 177.633 0.300 . 1 . . . . 707 ILE C . 16497 1 186 . 2 2 23 23 ILE CA C 13 64.829 0.300 . 1 . . . . 707 ILE CA . 16497 1 187 . 2 2 23 23 ILE CD1 C 13 12.874 0.300 . 1 . . . . 707 ILE CD1 . 16497 1 188 . 2 2 23 23 ILE N N 15 118.559 0.300 . 1 . . . . 707 ILE N . 16497 1 189 . 2 2 24 24 GLY H H 1 8.459 0.020 . 1 . . . . 708 GLY H . 16497 1 190 . 2 2 24 24 GLY HA2 H 1 3.638 0.020 . 1 . . . . 708 GLY HA2 . 16497 1 191 . 2 2 24 24 GLY HA3 H 1 3.638 0.020 . 1 . . . . 708 GLY HA3 . 16497 1 192 . 2 2 24 24 GLY C C 13 174.571 0.300 . 1 . . . . 708 GLY C . 16497 1 193 . 2 2 24 24 GLY CA C 13 47.194 0.300 . 1 . . . . 708 GLY CA . 16497 1 194 . 2 2 24 24 GLY N N 15 106.444 0.300 . 1 . . . . 708 GLY N . 16497 1 195 . 2 2 25 25 LEU H H 1 8.677 0.020 . 1 . . . . 709 LEU H . 16497 1 196 . 2 2 25 25 LEU HA H 1 3.989 0.020 . 1 . . . . 709 LEU HA . 16497 1 197 . 2 2 25 25 LEU HB2 H 1 1.929 0.020 . 2 . . . . 709 LEU HB2 . 16497 1 198 . 2 2 25 25 LEU HB3 H 1 1.929 0.020 . 2 . . . . 709 LEU HB3 . 16497 1 199 . 2 2 25 25 LEU HD11 H 1 0.837 0.020 . 1 . . . . 709 LEU HD1 . 16497 1 200 . 2 2 25 25 LEU HD12 H 1 0.837 0.020 . 1 . . . . 709 LEU HD1 . 16497 1 201 . 2 2 25 25 LEU HD13 H 1 0.837 0.020 . 1 . . . . 709 LEU HD1 . 16497 1 202 . 2 2 25 25 LEU HD21 H 1 0.837 0.020 . 1 . . . . 709 LEU HD2 . 16497 1 203 . 2 2 25 25 LEU HD22 H 1 0.837 0.020 . 1 . . . . 709 LEU HD2 . 16497 1 204 . 2 2 25 25 LEU HD23 H 1 0.837 0.020 . 1 . . . . 709 LEU HD2 . 16497 1 205 . 2 2 25 25 LEU C C 13 178.313 0.300 . 1 . . . . 709 LEU C . 16497 1 206 . 2 2 25 25 LEU CA C 13 57.627 0.300 . 1 . . . . 709 LEU CA . 16497 1 207 . 2 2 25 25 LEU CD1 C 13 23.688 0.300 . 1 . . . . 709 LEU CD1 . 16497 1 208 . 2 2 25 25 LEU CD2 C 13 23.688 0.300 . 1 . . . . 709 LEU CD2 . 16497 1 209 . 2 2 25 25 LEU N N 15 120.887 0.300 . 1 . . . . 709 LEU N . 16497 1 210 . 2 2 26 26 ALA H H 1 8.543 0.020 . 1 . . . . 710 ALA H . 16497 1 211 . 2 2 26 26 ALA HA H 1 3.934 0.020 . 1 . . . . 710 ALA HA . 16497 1 212 . 2 2 26 26 ALA HB1 H 1 1.464 0.020 . 1 . . . . 710 ALA HB . 16497 1 213 . 2 2 26 26 ALA HB2 H 1 1.464 0.020 . 1 . . . . 710 ALA HB . 16497 1 214 . 2 2 26 26 ALA HB3 H 1 1.464 0.020 . 1 . . . . 710 ALA HB . 16497 1 215 . 2 2 26 26 ALA C C 13 178.839 0.300 . 1 . . . . 710 ALA C . 16497 1 216 . 2 2 26 26 ALA CA C 13 55.319 0.300 . 1 . . . . 710 ALA CA . 16497 1 217 . 2 2 26 26 ALA N N 15 120.514 0.300 . 1 . . . . 710 ALA N . 16497 1 218 . 2 2 27 27 ALA H H 1 8.319 0.020 . 1 . . . . 711 ALA H . 16497 1 219 . 2 2 27 27 ALA HA H 1 3.955 0.020 . 1 . . . . 711 ALA HA . 16497 1 220 . 2 2 27 27 ALA HB1 H 1 1.462 0.020 . 1 . . . . 711 ALA HB . 16497 1 221 . 2 2 27 27 ALA HB2 H 1 1.462 0.020 . 1 . . . . 711 ALA HB . 16497 1 222 . 2 2 27 27 ALA HB3 H 1 1.462 0.020 . 1 . . . . 711 ALA HB . 16497 1 223 . 2 2 27 27 ALA C C 13 178.920 0.300 . 1 . . . . 711 ALA C . 16497 1 224 . 2 2 27 27 ALA CA C 13 55.267 0.300 . 1 . . . . 711 ALA CA . 16497 1 225 . 2 2 27 27 ALA N N 15 118.681 0.300 . 1 . . . . 711 ALA N . 16497 1 226 . 2 2 28 28 LEU H H 1 8.115 0.020 . 1 . . . . 712 LEU H . 16497 1 227 . 2 2 28 28 LEU HA H 1 3.980 0.020 . 1 . . . . 712 LEU HA . 16497 1 228 . 2 2 28 28 LEU HB2 H 1 1.938 0.020 . 2 . . . . 712 LEU HB2 . 16497 1 229 . 2 2 28 28 LEU HB3 H 1 1.938 0.020 . 2 . . . . 712 LEU HB3 . 16497 1 230 . 2 2 28 28 LEU HD11 H 1 0.989 0.020 . 1 . . . . 712 LEU HD1 . 16497 1 231 . 2 2 28 28 LEU HD12 H 1 0.989 0.020 . 1 . . . . 712 LEU HD1 . 16497 1 232 . 2 2 28 28 LEU HD13 H 1 0.989 0.020 . 1 . . . . 712 LEU HD1 . 16497 1 233 . 2 2 28 28 LEU HD21 H 1 0.989 0.020 . 1 . . . . 712 LEU HD2 . 16497 1 234 . 2 2 28 28 LEU HD22 H 1 0.989 0.020 . 1 . . . . 712 LEU HD2 . 16497 1 235 . 2 2 28 28 LEU HD23 H 1 0.989 0.020 . 1 . . . . 712 LEU HD2 . 16497 1 236 . 2 2 28 28 LEU CA C 13 57.958 0.300 . 1 . . . . 712 LEU CA . 16497 1 237 . 2 2 28 28 LEU CD1 C 13 24.903 0.300 . 1 . . . . 712 LEU CD1 . 16497 1 238 . 2 2 28 28 LEU CD2 C 13 24.903 0.300 . 1 . . . . 712 LEU CD2 . 16497 1 239 . 2 2 28 28 LEU N N 15 117.350 0.300 . 1 . . . . 712 LEU N . 16497 1 240 . 2 2 29 29 LEU HA H 1 4.048 0.020 . 1 . . . . 713 LEU HA . 16497 1 241 . 2 2 29 29 LEU HB2 H 1 1.812 0.020 . 2 . . . . 713 LEU HB2 . 16497 1 242 . 2 2 29 29 LEU HB3 H 1 1.812 0.020 . 2 . . . . 713 LEU HB3 . 16497 1 243 . 2 2 29 29 LEU HD11 H 1 0.882 0.020 . 1 . . . . 713 LEU HD1 . 16497 1 244 . 2 2 29 29 LEU HD12 H 1 0.882 0.020 . 1 . . . . 713 LEU HD1 . 16497 1 245 . 2 2 29 29 LEU HD13 H 1 0.882 0.020 . 1 . . . . 713 LEU HD1 . 16497 1 246 . 2 2 29 29 LEU HD21 H 1 0.852 0.020 . 1 . . . . 713 LEU HD2 . 16497 1 247 . 2 2 29 29 LEU HD22 H 1 0.852 0.020 . 1 . . . . 713 LEU HD2 . 16497 1 248 . 2 2 29 29 LEU HD23 H 1 0.852 0.020 . 1 . . . . 713 LEU HD2 . 16497 1 249 . 2 2 29 29 LEU C C 13 178.661 0.300 . 1 . . . . 713 LEU C . 16497 1 250 . 2 2 29 29 LEU CA C 13 57.723 0.300 . 1 . . . . 713 LEU CA . 16497 1 251 . 2 2 29 29 LEU CD1 C 13 24.702 0.300 . 1 . . . . 713 LEU CD1 . 16497 1 252 . 2 2 29 29 LEU CD2 C 13 23.782 0.300 . 1 . . . . 713 LEU CD2 . 16497 1 253 . 2 2 30 30 ILE H H 1 8.620 0.020 . 1 . . . . 714 ILE H . 16497 1 254 . 2 2 30 30 ILE HA H 1 3.944 0.020 . 1 . . . . 714 ILE HA . 16497 1 255 . 2 2 30 30 ILE HB H 1 2.041 0.020 . 1 . . . . 714 ILE HB . 16497 1 256 . 2 2 30 30 ILE HD11 H 1 0.819 0.020 . 1 . . . . 714 ILE HD1 . 16497 1 257 . 2 2 30 30 ILE HD12 H 1 0.819 0.020 . 1 . . . . 714 ILE HD1 . 16497 1 258 . 2 2 30 30 ILE HD13 H 1 0.819 0.020 . 1 . . . . 714 ILE HD1 . 16497 1 259 . 2 2 30 30 ILE C C 13 177.495 0.300 . 1 . . . . 714 ILE C . 16497 1 260 . 2 2 30 30 ILE CA C 13 65.117 0.300 . 1 . . . . 714 ILE CA . 16497 1 261 . 2 2 30 30 ILE CD1 C 13 12.733 0.300 . 1 . . . . 714 ILE CD1 . 16497 1 262 . 2 2 30 30 ILE N N 15 119.988 0.300 . 1 . . . . 714 ILE N . 16497 1 263 . 2 2 31 31 TRP H H 1 8.649 0.020 . 1 . . . . 715 TRP H . 16497 1 264 . 2 2 31 31 TRP HA H 1 4.313 0.020 . 1 . . . . 715 TRP HA . 16497 1 265 . 2 2 31 31 TRP HB2 H 1 3.664 0.020 . 2 . . . . 715 TRP HB2 . 16497 1 266 . 2 2 31 31 TRP HB3 H 1 3.312 0.020 . 2 . . . . 715 TRP HB3 . 16497 1 267 . 2 2 31 31 TRP C C 13 176.175 0.300 . 1 . . . . 715 TRP C . 16497 1 268 . 2 2 31 31 TRP CA C 13 62.321 0.300 . 1 . . . . 715 TRP CA . 16497 1 269 . 2 2 31 31 TRP N N 15 120.836 0.300 . 1 . . . . 715 TRP N . 16497 1 270 . 2 2 32 32 LYS H H 1 8.361 0.020 . 1 . . . . 716 LYS H . 16497 1 271 . 2 2 32 32 LYS HA H 1 3.764 0.020 . 1 . . . . 716 LYS HA . 16497 1 272 . 2 2 32 32 LYS HB2 H 1 1.890 0.020 . 1 . . . . 716 LYS HB2 . 16497 1 273 . 2 2 32 32 LYS HB3 H 1 1.890 0.020 . 1 . . . . 716 LYS HB3 . 16497 1 274 . 2 2 32 32 LYS C C 13 179.455 0.300 . 1 . . . . 716 LYS C . 16497 1 275 . 2 2 32 32 LYS CA C 13 56.469 0.300 . 1 . . . . 716 LYS CA . 16497 1 276 . 2 2 32 32 LYS N N 15 117.816 0.300 . 1 . . . . 716 LYS N . 16497 1 277 . 2 2 33 33 LEU H H 1 8.534 0.020 . 1 . . . . 717 LEU H . 16497 1 278 . 2 2 33 33 LEU HA H 1 4.045 0.020 . 1 . . . . 717 LEU HA . 16497 1 279 . 2 2 33 33 LEU HB2 H 1 1.845 0.020 . 2 . . . . 717 LEU HB2 . 16497 1 280 . 2 2 33 33 LEU HB3 H 1 1.845 0.020 . 2 . . . . 717 LEU HB3 . 16497 1 281 . 2 2 33 33 LEU HD11 H 1 0.926 0.020 . 1 . . . . 717 LEU HD1 . 16497 1 282 . 2 2 33 33 LEU HD12 H 1 0.926 0.020 . 1 . . . . 717 LEU HD1 . 16497 1 283 . 2 2 33 33 LEU HD13 H 1 0.926 0.020 . 1 . . . . 717 LEU HD1 . 16497 1 284 . 2 2 33 33 LEU HD21 H 1 0.926 0.020 . 1 . . . . 717 LEU HD2 . 16497 1 285 . 2 2 33 33 LEU HD22 H 1 0.926 0.020 . 1 . . . . 717 LEU HD2 . 16497 1 286 . 2 2 33 33 LEU HD23 H 1 0.926 0.020 . 1 . . . . 717 LEU HD2 . 16497 1 287 . 2 2 33 33 LEU C C 13 177.495 0.300 . 1 . . . . 717 LEU C . 16497 1 288 . 2 2 33 33 LEU CA C 13 58.089 0.300 . 1 . . . . 717 LEU CA . 16497 1 289 . 2 2 33 33 LEU CD1 C 13 24.263 0.300 . 1 . . . . 717 LEU CD1 . 16497 1 290 . 2 2 33 33 LEU CD2 C 13 24.263 0.300 . 1 . . . . 717 LEU CD2 . 16497 1 291 . 2 2 33 33 LEU N N 15 122.855 0.300 . 1 . . . . 717 LEU N . 16497 1 292 . 2 2 34 34 LEU H H 1 8.317 0.020 . 1 . . . . 718 LEU H . 16497 1 293 . 2 2 34 34 LEU HA H 1 3.979 0.020 . 1 . . . . 718 LEU HA . 16497 1 294 . 2 2 34 34 LEU HB2 H 1 1.464 0.020 . 2 . . . . 718 LEU HB2 . 16497 1 295 . 2 2 34 34 LEU HB3 H 1 1.464 0.020 . 2 . . . . 718 LEU HB3 . 16497 1 296 . 2 2 34 34 LEU HD11 H 1 0.897 0.020 . 1 . . . . 718 LEU HD1 . 16497 1 297 . 2 2 34 34 LEU HD12 H 1 0.897 0.020 . 1 . . . . 718 LEU HD1 . 16497 1 298 . 2 2 34 34 LEU HD13 H 1 0.897 0.020 . 1 . . . . 718 LEU HD1 . 16497 1 299 . 2 2 34 34 LEU HD21 H 1 0.849 0.020 . 1 . . . . 718 LEU HD2 . 16497 1 300 . 2 2 34 34 LEU HD22 H 1 0.849 0.020 . 1 . . . . 718 LEU HD2 . 16497 1 301 . 2 2 34 34 LEU HD23 H 1 0.849 0.020 . 1 . . . . 718 LEU HD2 . 16497 1 302 . 2 2 34 34 LEU CA C 13 57.697 0.300 . 1 . . . . 718 LEU CA . 16497 1 303 . 2 2 34 34 LEU CD1 C 13 25.632 0.300 . 1 . . . . 718 LEU CD1 . 16497 1 304 . 2 2 34 34 LEU CD2 C 13 22.689 0.300 . 1 . . . . 718 LEU CD2 . 16497 1 305 . 2 2 34 34 LEU N N 15 117.822 0.300 . 1 . . . . 718 LEU N . 16497 1 306 . 2 2 35 35 ILE HA H 1 3.827 0.020 . 1 . . . . 719 ILE HA . 16497 1 307 . 2 2 35 35 ILE HB H 1 1.756 0.020 . 1 . . . . 719 ILE HB . 16497 1 308 . 2 2 35 35 ILE HD11 H 1 0.562 0.020 . 1 . . . . 719 ILE HD1 . 16497 1 309 . 2 2 35 35 ILE HD12 H 1 0.562 0.020 . 1 . . . . 719 ILE HD1 . 16497 1 310 . 2 2 35 35 ILE HD13 H 1 0.562 0.020 . 1 . . . . 719 ILE HD1 . 16497 1 311 . 2 2 35 35 ILE C C 13 177.074 0.300 . 1 . . . . 719 ILE C . 16497 1 312 . 2 2 35 35 ILE CD1 C 13 13.149 0.300 . 1 . . . . 719 ILE CD1 . 16497 1 313 . 2 2 36 36 THR H H 1 7.535 0.020 . 1 . . . . 720 THR H . 16497 1 314 . 2 2 36 36 THR HA H 1 4.031 0.020 . 1 . . . . 720 THR HA . 16497 1 315 . 2 2 36 36 THR HB H 1 4.358 0.020 . 1 . . . . 720 THR HB . 16497 1 316 . 2 2 36 36 THR C C 13 176.636 0.300 . 1 . . . . 720 THR C . 16497 1 317 . 2 2 36 36 THR CA C 13 66.501 0.300 . 1 . . . . 720 THR CA . 16497 1 318 . 2 2 36 36 THR N N 15 118.784 0.300 . 1 . . . . 720 THR N . 16497 1 319 . 2 2 37 37 ILE H H 1 7.740 0.020 . 1 . . . . 721 ILE H . 16497 1 320 . 2 2 37 37 ILE HA H 1 3.842 0.020 . 1 . . . . 721 ILE HA . 16497 1 321 . 2 2 37 37 ILE HB H 1 1.942 0.020 . 1 . . . . 721 ILE HB . 16497 1 322 . 2 2 37 37 ILE HD11 H 1 0.820 0.020 . 1 . . . . 721 ILE HD1 . 16497 1 323 . 2 2 37 37 ILE HD12 H 1 0.820 0.020 . 1 . . . . 721 ILE HD1 . 16497 1 324 . 2 2 37 37 ILE HD13 H 1 0.820 0.020 . 1 . . . . 721 ILE HD1 . 16497 1 325 . 2 2 37 37 ILE C C 13 177.892 0.300 . 1 . . . . 721 ILE C . 16497 1 326 . 2 2 37 37 ILE CA C 13 64.542 0.300 . 1 . . . . 721 ILE CA . 16497 1 327 . 2 2 37 37 ILE CD1 C 13 13.360 0.300 . 1 . . . . 721 ILE CD1 . 16497 1 328 . 2 2 37 37 ILE N N 15 120.744 0.300 . 1 . . . . 721 ILE N . 16497 1 329 . 2 2 38 38 HIS H H 1 8.227 0.020 . 1 . . . . 722 HIS H . 16497 1 330 . 2 2 38 38 HIS HA H 1 4.315 0.020 . 1 . . . . 722 HIS HA . 16497 1 331 . 2 2 38 38 HIS HB2 H 1 3.253 0.020 . 2 . . . . 722 HIS HB2 . 16497 1 332 . 2 2 38 38 HIS HB3 H 1 3.143 0.020 . 2 . . . . 722 HIS HB3 . 16497 1 333 . 2 2 38 38 HIS C C 13 176.661 0.300 . 1 . . . . 722 HIS C . 16497 1 334 . 2 2 38 38 HIS CA C 13 58.873 0.300 . 1 . . . . 722 HIS CA . 16497 1 335 . 2 2 38 38 HIS N N 15 119.142 0.300 . 1 . . . . 722 HIS N . 16497 1 336 . 2 2 39 39 ASP H H 1 8.394 0.020 . 1 . . . . 723 ASP H . 16497 1 337 . 2 2 39 39 ASP HA H 1 4.365 0.020 . 1 . . . . 723 ASP HA . 16497 1 338 . 2 2 39 39 ASP HB2 H 1 2.441 0.020 . 1 . . . . 723 ASP HB2 . 16497 1 339 . 2 2 39 39 ASP HB3 H 1 2.441 0.020 . 1 . . . . 723 ASP HB3 . 16497 1 340 . 2 2 39 39 ASP C C 13 176.944 0.300 . 1 . . . . 723 ASP C . 16497 1 341 . 2 2 39 39 ASP CA C 13 55.346 0.300 . 1 . . . . 723 ASP CA . 16497 1 342 . 2 2 39 39 ASP N N 15 118.724 0.300 . 1 . . . . 723 ASP N . 16497 1 343 . 2 2 40 40 ARG H H 1 7.562 0.020 . 1 . . . . 724 ARG H . 16497 1 344 . 2 2 40 40 ARG HA H 1 4.274 0.020 . 1 . . . . 724 ARG HA . 16497 1 345 . 2 2 40 40 ARG HB2 H 1 1.853 0.020 . 1 . . . . 724 ARG HB2 . 16497 1 346 . 2 2 40 40 ARG HB3 H 1 1.853 0.020 . 1 . . . . 724 ARG HB3 . 16497 1 347 . 2 2 40 40 ARG C C 13 176.434 0.300 . 1 . . . . 724 ARG C . 16497 1 348 . 2 2 40 40 ARG CA C 13 56.407 0.300 . 1 . . . . 724 ARG CA . 16497 1 349 . 2 2 40 40 ARG N N 15 119.735 0.300 . 1 . . . . 724 ARG N . 16497 1 350 . 2 2 41 41 LYS H H 1 7.818 0.020 . 1 . . . . 725 LYS H . 16497 1 351 . 2 2 41 41 LYS HA H 1 4.243 0.020 . 1 . . . . 725 LYS HA . 16497 1 352 . 2 2 41 41 LYS HB2 H 1 1.764 0.020 . 1 . . . . 725 LYS HB2 . 16497 1 353 . 2 2 41 41 LYS HB3 H 1 1.764 0.020 . 1 . . . . 725 LYS HB3 . 16497 1 354 . 2 2 41 41 LYS C C 13 176.231 0.300 . 1 . . . . 725 LYS C . 16497 1 355 . 2 2 41 41 LYS CA C 13 56.260 0.300 . 1 . . . . 725 LYS CA . 16497 1 356 . 2 2 41 41 LYS N N 15 120.756 0.300 . 1 . . . . 725 LYS N . 16497 1 357 . 2 2 42 42 GLU H H 1 8.078 0.020 . 1 . . . . 726 GLU H . 16497 1 358 . 2 2 42 42 GLU HA H 1 4.222 0.020 . 1 . . . . 726 GLU HA . 16497 1 359 . 2 2 42 42 GLU HB2 H 1 1.953 0.020 . 2 . . . . 726 GLU HB2 . 16497 1 360 . 2 2 42 42 GLU HB3 H 1 1.845 0.020 . 2 . . . . 726 GLU HB3 . 16497 1 361 . 2 2 42 42 GLU C C 13 175.122 0.300 . 1 . . . . 726 GLU C . 16497 1 362 . 2 2 42 42 GLU CA C 13 56.051 0.300 . 1 . . . . 726 GLU CA . 16497 1 363 . 2 2 42 42 GLU N N 15 121.081 0.300 . 1 . . . . 726 GLU N . 16497 1 364 . 2 2 43 43 PHE H H 1 7.628 0.020 . 1 . . . . 727 PHE H . 16497 1 365 . 2 2 43 43 PHE CA C 13 58.771 0.300 . 1 . . . . 727 PHE CA . 16497 1 366 . 2 2 43 43 PHE N N 15 125.208 0.300 . 1 . . . . 727 PHE N . 16497 1 367 . 1 1 3 3 LEU H H 1 8.452 0.020 . 1 . . . . 959 LEU H . 16497 1 368 . 1 1 3 3 LEU HA H 1 4.284 0.020 . 1 . . . . 959 LEU HA . 16497 1 369 . 1 1 3 3 LEU HD11 H 1 0.942 0.020 . 1 . . . . 959 LEU HD1 . 16497 1 370 . 1 1 3 3 LEU HD12 H 1 0.942 0.020 . 1 . . . . 959 LEU HD1 . 16497 1 371 . 1 1 3 3 LEU HD13 H 1 0.942 0.020 . 1 . . . . 959 LEU HD1 . 16497 1 372 . 1 1 3 3 LEU HD21 H 1 0.942 0.020 . 1 . . . . 959 LEU HD2 . 16497 1 373 . 1 1 3 3 LEU HD22 H 1 0.942 0.020 . 1 . . . . 959 LEU HD2 . 16497 1 374 . 1 1 3 3 LEU HD23 H 1 0.942 0.020 . 1 . . . . 959 LEU HD2 . 16497 1 375 . 1 1 3 3 LEU C C 13 177.776 0.300 . 1 . . . . 959 LEU C . 16497 1 376 . 1 1 3 3 LEU CA C 13 55.711 0.300 . 1 . . . . 959 LEU CA . 16497 1 377 . 1 1 3 3 LEU CD1 C 13 24.634 0.300 . 1 . . . . 959 LEU CD1 . 16497 1 378 . 1 1 3 3 LEU CD2 C 13 24.634 0.300 . 1 . . . . 959 LEU CD2 . 16497 1 379 . 1 1 3 3 LEU N N 15 119.555 0.300 . 1 . . . . 959 LEU N . 16497 1 380 . 1 1 4 4 GLU H H 1 8.310 0.020 . 1 . . . . 960 GLU H . 16497 1 381 . 1 1 4 4 GLU HA H 1 4.233 0.020 . 1 . . . . 960 GLU HA . 16497 1 382 . 1 1 4 4 GLU HB2 H 1 2.048 0.020 . 1 . . . . 960 GLU HB2 . 16497 1 383 . 1 1 4 4 GLU HB3 H 1 2.048 0.020 . 1 . . . . 960 GLU HB3 . 16497 1 384 . 1 1 4 4 GLU C C 13 177.095 0.300 . 1 . . . . 960 GLU C . 16497 1 385 . 1 1 4 4 GLU CA C 13 57.144 0.300 . 1 . . . . 960 GLU CA . 16497 1 386 . 1 1 4 4 GLU N N 15 120.942 0.300 . 1 . . . . 960 GLU N . 16497 1 387 . 1 1 5 5 GLU H H 1 8.187 0.020 . 1 . . . . 961 GLU H . 16497 1 388 . 1 1 5 5 GLU HA H 1 4.210 0.020 . 1 . . . . 961 GLU HA . 16497 1 389 . 1 1 5 5 GLU HB2 H 1 2.053 0.020 . 1 . . . . 961 GLU HB2 . 16497 1 390 . 1 1 5 5 GLU HB3 H 1 2.053 0.020 . 1 . . . . 961 GLU HB3 . 16497 1 391 . 1 1 5 5 GLU CA C 13 56.543 0.300 . 1 . . . . 961 GLU CA . 16497 1 392 . 1 1 5 5 GLU N N 15 121.043 0.300 . 1 . . . . 961 GLU N . 16497 1 393 . 1 1 6 6 ARG H H 1 8.022 0.020 . 1 . . . . 962 ARG H . 16497 1 394 . 1 1 6 6 ARG HA H 1 4.212 0.020 . 1 . . . . 962 ARG HA . 16497 1 395 . 1 1 6 6 ARG C C 13 175.291 0.300 . 1 . . . . 962 ARG C . 16497 1 396 . 1 1 6 6 ARG CA C 13 55.289 0.300 . 1 . . . . 962 ARG CA . 16497 1 397 . 1 1 6 6 ARG N N 15 120.230 0.300 . 1 . . . . 962 ARG N . 16497 1 398 . 1 1 7 7 ALA H H 1 8.060 0.020 . 1 . . . . 963 ALA H . 16497 1 399 . 1 1 7 7 ALA HA H 1 4.291 0.020 . 1 . . . . 963 ALA HA . 16497 1 400 . 1 1 7 7 ALA HB1 H 1 1.377 0.020 . 1 . . . . 963 ALA HB . 16497 1 401 . 1 1 7 7 ALA HB2 H 1 1.377 0.020 . 1 . . . . 963 ALA HB . 16497 1 402 . 1 1 7 7 ALA HB3 H 1 1.377 0.020 . 1 . . . . 963 ALA HB . 16497 1 403 . 1 1 7 7 ALA C C 13 176.981 0.300 . 1 . . . . 963 ALA C . 16497 1 404 . 1 1 7 7 ALA CA C 13 52.073 0.300 . 1 . . . . 963 ALA CA . 16497 1 405 . 1 1 7 7 ALA N N 15 123.718 0.300 . 1 . . . . 963 ALA N . 16497 1 406 . 1 1 8 8 ILE H H 1 7.967 0.020 . 1 . . . . 964 ILE H . 16497 1 407 . 1 1 8 8 ILE HA H 1 4.114 0.020 . 1 . . . . 964 ILE HA . 16497 1 408 . 1 1 8 8 ILE HB H 1 1.842 0.020 . 1 . . . . 964 ILE HB . 16497 1 409 . 1 1 8 8 ILE HD11 H 1 0.913 0.020 . 1 . . . . 964 ILE HD1 . 16497 1 410 . 1 1 8 8 ILE HD12 H 1 0.913 0.020 . 1 . . . . 964 ILE HD1 . 16497 1 411 . 1 1 8 8 ILE HD13 H 1 0.913 0.020 . 1 . . . . 964 ILE HD1 . 16497 1 412 . 1 1 8 8 ILE CA C 13 58.141 0.300 . 1 . . . . 964 ILE CA . 16497 1 413 . 1 1 8 8 ILE CD1 C 13 12.823 0.300 . 1 . . . . 964 ILE CD1 . 16497 1 414 . 1 1 8 8 ILE N N 15 119.904 0.300 . 1 . . . . 964 ILE N . 16497 1 415 . 1 1 10 10 ILE HA H 1 3.583 0.020 . 1 . . . . 966 ILE HA . 16497 1 416 . 1 1 10 10 ILE HB H 1 1.971 0.020 . 1 . . . . 966 ILE HB . 16497 1 417 . 1 1 10 10 ILE HD11 H 1 0.848 0.020 . 1 . . . . 966 ILE HD1 . 16497 1 418 . 1 1 10 10 ILE HD12 H 1 0.848 0.020 . 1 . . . . 966 ILE HD1 . 16497 1 419 . 1 1 10 10 ILE HD13 H 1 0.848 0.020 . 1 . . . . 966 ILE HD1 . 16497 1 420 . 1 1 10 10 ILE CD1 C 13 12.736 0.300 . 1 . . . . 966 ILE CD1 . 16497 1 421 . 1 1 11 11 TRP H H 1 8.123 0.020 . 1 . . . . 967 TRP H . 16497 1 422 . 1 1 11 11 TRP HA H 1 4.351 0.020 . 1 . . . . 967 TRP HA . 16497 1 423 . 1 1 11 11 TRP C C 13 177.966 0.300 . 1 . . . . 967 TRP C . 16497 1 424 . 1 1 11 11 TRP CA C 13 59.991 0.300 . 1 . . . . 967 TRP CA . 16497 1 425 . 1 1 11 11 TRP N N 15 119.449 0.300 . 1 . . . . 967 TRP N . 16497 1 426 . 1 1 12 12 TRP H H 1 7.230 0.020 . 1 . . . . 968 TRP H . 16497 1 427 . 1 1 12 12 TRP HA H 1 4.089 0.020 . 1 . . . . 968 TRP HA . 16497 1 428 . 1 1 12 12 TRP CA C 13 59.264 0.300 . 1 . . . . 968 TRP CA . 16497 1 429 . 1 1 12 12 TRP N N 15 119.447 0.300 . 1 . . . . 968 TRP N . 16497 1 430 . 1 1 13 13 VAL H H 1 7.360 0.020 . 1 . . . . 969 VAL H . 16497 1 431 . 1 1 13 13 VAL HA H 1 3.620 0.020 . 1 . . . . 969 VAL HA . 16497 1 432 . 1 1 13 13 VAL HG11 H 1 1.057 0.020 . 1 . . . . 969 VAL HG1 . 16497 1 433 . 1 1 13 13 VAL HG12 H 1 1.057 0.020 . 1 . . . . 969 VAL HG1 . 16497 1 434 . 1 1 13 13 VAL HG13 H 1 1.057 0.020 . 1 . . . . 969 VAL HG1 . 16497 1 435 . 1 1 13 13 VAL HG21 H 1 0.926 0.020 . 1 . . . . 969 VAL HG2 . 16497 1 436 . 1 1 13 13 VAL HG22 H 1 0.926 0.020 . 1 . . . . 969 VAL HG2 . 16497 1 437 . 1 1 13 13 VAL HG23 H 1 0.926 0.020 . 1 . . . . 969 VAL HG2 . 16497 1 438 . 1 1 13 13 VAL C C 13 177.784 0.300 . 1 . . . . 969 VAL C . 16497 1 439 . 1 1 13 13 VAL CA C 13 66.112 0.300 . 1 . . . . 969 VAL CA . 16497 1 440 . 1 1 13 13 VAL CG1 C 13 22.656 0.300 . 1 . . . . 969 VAL CG1 . 16497 1 441 . 1 1 13 13 VAL CG2 C 13 21.274 0.300 . 1 . . . . 969 VAL CG2 . 16497 1 442 . 1 1 13 13 VAL N N 15 117.767 0.300 . 1 . . . . 969 VAL N . 16497 1 443 . 1 1 14 14 LEU H H 1 8.025 0.020 . 1 . . . . 970 LEU H . 16497 1 444 . 1 1 14 14 LEU HA H 1 3.986 0.020 . 1 . . . . 970 LEU HA . 16497 1 445 . 1 1 14 14 LEU HB2 H 1 1.887 0.020 . 2 . . . . 970 LEU HB2 . 16497 1 446 . 1 1 14 14 LEU HB3 H 1 1.887 0.020 . 2 . . . . 970 LEU HB3 . 16497 1 447 . 1 1 14 14 LEU HD11 H 1 0.840 0.020 . 1 . . . . 970 LEU HD1 . 16497 1 448 . 1 1 14 14 LEU HD12 H 1 0.840 0.020 . 1 . . . . 970 LEU HD1 . 16497 1 449 . 1 1 14 14 LEU HD13 H 1 0.840 0.020 . 1 . . . . 970 LEU HD1 . 16497 1 450 . 1 1 14 14 LEU HD21 H 1 0.885 0.020 . 1 . . . . 970 LEU HD2 . 16497 1 451 . 1 1 14 14 LEU HD22 H 1 0.885 0.020 . 1 . . . . 970 LEU HD2 . 16497 1 452 . 1 1 14 14 LEU HD23 H 1 0.885 0.020 . 1 . . . . 970 LEU HD2 . 16497 1 453 . 1 1 14 14 LEU C C 13 178.473 0.300 . 1 . . . . 970 LEU C . 16497 1 454 . 1 1 14 14 LEU CA C 13 57.901 0.300 . 1 . . . . 970 LEU CA . 16497 1 455 . 1 1 14 14 LEU CD1 C 13 24.518 0.300 . 1 . . . . 970 LEU CD1 . 16497 1 456 . 1 1 14 14 LEU CD2 C 13 23.570 0.300 . 1 . . . . 970 LEU CD2 . 16497 1 457 . 1 1 14 14 LEU N N 15 118.505 0.300 . 1 . . . . 970 LEU N . 16497 1 458 . 1 1 15 15 VAL H H 1 8.255 0.020 . 1 . . . . 971 VAL H . 16497 1 459 . 1 1 15 15 VAL HA H 1 3.631 0.020 . 1 . . . . 971 VAL HA . 16497 1 460 . 1 1 15 15 VAL HB H 1 2.289 0.020 . 1 . . . . 971 VAL HB . 16497 1 461 . 1 1 15 15 VAL HG11 H 1 0.994 0.020 . 1 . . . . 971 VAL HG1 . 16497 1 462 . 1 1 15 15 VAL HG12 H 1 0.994 0.020 . 1 . . . . 971 VAL HG1 . 16497 1 463 . 1 1 15 15 VAL HG13 H 1 0.994 0.020 . 1 . . . . 971 VAL HG1 . 16497 1 464 . 1 1 15 15 VAL HG21 H 1 0.961 0.020 . 1 . . . . 971 VAL HG2 . 16497 1 465 . 1 1 15 15 VAL HG22 H 1 0.961 0.020 . 1 . . . . 971 VAL HG2 . 16497 1 466 . 1 1 15 15 VAL HG23 H 1 0.961 0.020 . 1 . . . . 971 VAL HG2 . 16497 1 467 . 1 1 15 15 VAL C C 13 177.829 0.300 . 1 . . . . 971 VAL C . 16497 1 468 . 1 1 15 15 VAL CA C 13 66.839 0.300 . 1 . . . . 971 VAL CA . 16497 1 469 . 1 1 15 15 VAL CG1 C 13 22.901 0.300 . 1 . . . . 971 VAL CG1 . 16497 1 470 . 1 1 15 15 VAL CG2 C 13 21.521 0.300 . 1 . . . . 971 VAL CG2 . 16497 1 471 . 1 1 15 15 VAL N N 15 118.845 0.300 . 1 . . . . 971 VAL N . 16497 1 472 . 1 1 16 16 GLY H H 1 8.145 0.020 . 1 . . . . 972 GLY H . 16497 1 473 . 1 1 16 16 GLY HA2 H 1 3.610 0.020 . 1 . . . . 972 GLY HA2 . 16497 1 474 . 1 1 16 16 GLY HA3 H 1 3.610 0.020 . 1 . . . . 972 GLY HA3 . 16497 1 475 . 1 1 16 16 GLY C C 13 175.240 0.300 . 1 . . . . 972 GLY C . 16497 1 476 . 1 1 16 16 GLY CA C 13 47.118 0.300 . 1 . . . . 972 GLY CA . 16497 1 477 . 1 1 16 16 GLY N N 15 107.638 0.300 . 1 . . . . 972 GLY N . 16497 1 478 . 1 1 17 17 VAL H H 1 8.628 0.020 . 1 . . . . 973 VAL H . 16497 1 479 . 1 1 17 17 VAL HA H 1 3.713 0.020 . 1 . . . . 973 VAL HA . 16497 1 480 . 1 1 17 17 VAL HB H 1 2.326 0.020 . 1 . . . . 973 VAL HB . 16497 1 481 . 1 1 17 17 VAL HG11 H 1 1.076 0.020 . 1 . . . . 973 VAL HG1 . 16497 1 482 . 1 1 17 17 VAL HG12 H 1 1.076 0.020 . 1 . . . . 973 VAL HG1 . 16497 1 483 . 1 1 17 17 VAL HG13 H 1 1.076 0.020 . 1 . . . . 973 VAL HG1 . 16497 1 484 . 1 1 17 17 VAL HG21 H 1 0.884 0.020 . 1 . . . . 973 VAL HG2 . 16497 1 485 . 1 1 17 17 VAL HG22 H 1 0.884 0.020 . 1 . . . . 973 VAL HG2 . 16497 1 486 . 1 1 17 17 VAL HG23 H 1 0.884 0.020 . 1 . . . . 973 VAL HG2 . 16497 1 487 . 1 1 17 17 VAL C C 13 177.519 0.300 . 1 . . . . 973 VAL C . 16497 1 488 . 1 1 17 17 VAL CA C 13 65.816 0.300 . 1 . . . . 973 VAL CA . 16497 1 489 . 1 1 17 17 VAL CG1 C 13 22.951 0.300 . 1 . . . . 973 VAL CG1 . 16497 1 490 . 1 1 17 17 VAL CG2 C 13 21.122 0.300 . 1 . . . . 973 VAL CG2 . 16497 1 491 . 1 1 17 17 VAL N N 15 123.231 0.300 . 1 . . . . 973 VAL N . 16497 1 492 . 1 1 18 18 LEU H H 1 8.270 0.020 . 1 . . . . 974 LEU H . 16497 1 493 . 1 1 18 18 LEU HA H 1 4.023 0.020 . 1 . . . . 974 LEU HA . 16497 1 494 . 1 1 18 18 LEU HB2 H 1 1.780 0.020 . 2 . . . . 974 LEU HB2 . 16497 1 495 . 1 1 18 18 LEU HB3 H 1 1.780 0.020 . 2 . . . . 974 LEU HB3 . 16497 1 496 . 1 1 18 18 LEU HD11 H 1 0.894 0.020 . 1 . . . . 974 LEU HD1 . 16497 1 497 . 1 1 18 18 LEU HD12 H 1 0.894 0.020 . 1 . . . . 974 LEU HD1 . 16497 1 498 . 1 1 18 18 LEU HD13 H 1 0.894 0.020 . 1 . . . . 974 LEU HD1 . 16497 1 499 . 1 1 18 18 LEU HD21 H 1 0.842 0.020 . 1 . . . . 974 LEU HD2 . 16497 1 500 . 1 1 18 18 LEU HD22 H 1 0.842 0.020 . 1 . . . . 974 LEU HD2 . 16497 1 501 . 1 1 18 18 LEU HD23 H 1 0.842 0.020 . 1 . . . . 974 LEU HD2 . 16497 1 502 . 1 1 18 18 LEU C C 13 178.844 0.300 . 1 . . . . 974 LEU C . 16497 1 503 . 1 1 18 18 LEU CA C 13 57.954 0.300 . 1 . . . . 974 LEU CA . 16497 1 504 . 1 1 18 18 LEU CD1 C 13 24.524 0.300 . 1 . . . . 974 LEU CD1 . 16497 1 505 . 1 1 18 18 LEU CD2 C 13 23.316 0.300 . 1 . . . . 974 LEU CD2 . 16497 1 506 . 1 1 18 18 LEU N N 15 119.442 0.300 . 1 . . . . 974 LEU N . 16497 1 507 . 1 1 19 19 GLY H H 1 8.895 0.020 . 1 . . . . 975 GLY H . 16497 1 508 . 1 1 19 19 GLY HA2 H 1 3.622 0.020 . 1 . . . . 975 GLY HA2 . 16497 1 509 . 1 1 19 19 GLY HA3 H 1 3.622 0.020 . 1 . . . . 975 GLY HA3 . 16497 1 510 . 1 1 19 19 GLY C C 13 175.308 0.300 . 1 . . . . 975 GLY C . 16497 1 511 . 1 1 19 19 GLY CA C 13 47.009 0.300 . 1 . . . . 975 GLY CA . 16497 1 512 . 1 1 19 19 GLY N N 15 106.592 0.300 . 1 . . . . 975 GLY N . 16497 1 513 . 1 1 20 20 GLY H H 1 8.737 0.020 . 1 . . . . 976 GLY H . 16497 1 514 . 1 1 20 20 GLY HA2 H 1 3.592 0.020 . 1 . . . . 976 GLY HA2 . 16497 1 515 . 1 1 20 20 GLY HA3 H 1 3.592 0.020 . 1 . . . . 976 GLY HA3 . 16497 1 516 . 1 1 20 20 GLY C C 13 174.785 0.300 . 1 . . . . 976 GLY C . 16497 1 517 . 1 1 20 20 GLY CA C 13 47.244 0.300 . 1 . . . . 976 GLY CA . 16497 1 518 . 1 1 20 20 GLY N N 15 109.470 0.300 . 1 . . . . 976 GLY N . 16497 1 519 . 1 1 21 21 LEU H H 1 8.643 0.020 . 1 . . . . 977 LEU H . 16497 1 520 . 1 1 21 21 LEU HA H 1 4.008 0.020 . 1 . . . . 977 LEU HA . 16497 1 521 . 1 1 21 21 LEU HB2 H 1 1.791 0.020 . 2 . . . . 977 LEU HB2 . 16497 1 522 . 1 1 21 21 LEU HB3 H 1 1.791 0.020 . 2 . . . . 977 LEU HB3 . 16497 1 523 . 1 1 21 21 LEU HD11 H 1 0.833 0.020 . 1 . . . . 977 LEU HD1 . 16497 1 524 . 1 1 21 21 LEU HD12 H 1 0.833 0.020 . 1 . . . . 977 LEU HD1 . 16497 1 525 . 1 1 21 21 LEU HD13 H 1 0.833 0.020 . 1 . . . . 977 LEU HD1 . 16497 1 526 . 1 1 21 21 LEU HD21 H 1 0.813 0.020 . 1 . . . . 977 LEU HD2 . 16497 1 527 . 1 1 21 21 LEU HD22 H 1 0.813 0.020 . 1 . . . . 977 LEU HD2 . 16497 1 528 . 1 1 21 21 LEU HD23 H 1 0.813 0.020 . 1 . . . . 977 LEU HD2 . 16497 1 529 . 1 1 21 21 LEU HG H 1 1.692 0.020 . 1 . . . . 977 LEU HG . 16497 1 530 . 1 1 21 21 LEU C C 13 179.980 0.300 . 1 . . . . 977 LEU C . 16497 1 531 . 1 1 21 21 LEU CA C 13 57.614 0.300 . 1 . . . . 977 LEU CA . 16497 1 532 . 1 1 21 21 LEU CD1 C 13 24.904 0.300 . 1 . . . . 977 LEU CD1 . 16497 1 533 . 1 1 21 21 LEU CD2 C 13 23.134 0.300 . 1 . . . . 977 LEU CD2 . 16497 1 534 . 1 1 21 21 LEU N N 15 121.122 0.300 . 1 . . . . 977 LEU N . 16497 1 535 . 1 1 22 22 LEU H H 1 8.500 0.020 . 1 . . . . 978 LEU H . 16497 1 536 . 1 1 22 22 LEU HA H 1 4.013 0.020 . 1 . . . . 978 LEU HA . 16497 1 537 . 1 1 22 22 LEU HB2 H 1 1.799 0.020 . 2 . . . . 978 LEU HB2 . 16497 1 538 . 1 1 22 22 LEU HB3 H 1 1.799 0.020 . 2 . . . . 978 LEU HB3 . 16497 1 539 . 1 1 22 22 LEU HD11 H 1 0.890 0.020 . 1 . . . . 978 LEU HD1 . 16497 1 540 . 1 1 22 22 LEU HD12 H 1 0.890 0.020 . 1 . . . . 978 LEU HD1 . 16497 1 541 . 1 1 22 22 LEU HD13 H 1 0.890 0.020 . 1 . . . . 978 LEU HD1 . 16497 1 542 . 1 1 22 22 LEU HD21 H 1 0.893 0.020 . 1 . . . . 978 LEU HD2 . 16497 1 543 . 1 1 22 22 LEU HD22 H 1 0.893 0.020 . 1 . . . . 978 LEU HD2 . 16497 1 544 . 1 1 22 22 LEU HD23 H 1 0.893 0.020 . 1 . . . . 978 LEU HD2 . 16497 1 545 . 1 1 22 22 LEU HG H 1 1.704 0.020 . 1 . . . . 978 LEU HG . 16497 1 546 . 1 1 22 22 LEU C C 13 178.185 0.300 . 1 . . . . 978 LEU C . 16497 1 547 . 1 1 22 22 LEU CA C 13 58.088 0.300 . 1 . . . . 978 LEU CA . 16497 1 548 . 1 1 22 22 LEU CD1 C 13 24.114 0.300 . 1 . . . . 978 LEU CD1 . 16497 1 549 . 1 1 22 22 LEU CD2 C 13 24.120 0.300 . 1 . . . . 978 LEU CD2 . 16497 1 550 . 1 1 22 22 LEU N N 15 123.128 0.300 . 1 . . . . 978 LEU N . 16497 1 551 . 1 1 23 23 LEU H H 1 8.200 0.020 . 1 . . . . 979 LEU H . 16497 1 552 . 1 1 23 23 LEU HA H 1 4.008 0.020 . 1 . . . . 979 LEU HA . 16497 1 553 . 1 1 23 23 LEU HB2 H 1 1.791 0.020 . 2 . . . . 979 LEU HB2 . 16497 1 554 . 1 1 23 23 LEU HB3 H 1 1.791 0.020 . 2 . . . . 979 LEU HB3 . 16497 1 555 . 1 1 23 23 LEU HD11 H 1 0.837 0.020 . 1 . . . . 979 LEU HD1 . 16497 1 556 . 1 1 23 23 LEU HD12 H 1 0.837 0.020 . 1 . . . . 979 LEU HD1 . 16497 1 557 . 1 1 23 23 LEU HD13 H 1 0.837 0.020 . 1 . . . . 979 LEU HD1 . 16497 1 558 . 1 1 23 23 LEU HD21 H 1 0.839 0.020 . 1 . . . . 979 LEU HD2 . 16497 1 559 . 1 1 23 23 LEU HD22 H 1 0.839 0.020 . 1 . . . . 979 LEU HD2 . 16497 1 560 . 1 1 23 23 LEU HD23 H 1 0.839 0.020 . 1 . . . . 979 LEU HD2 . 16497 1 561 . 1 1 23 23 LEU HG H 1 1.665 0.020 . 1 . . . . 979 LEU HG . 16497 1 562 . 1 1 23 23 LEU C C 13 178.420 0.300 . 1 . . . . 979 LEU C . 16497 1 563 . 1 1 23 23 LEU CA C 13 57.801 0.300 . 1 . . . . 979 LEU CA . 16497 1 564 . 1 1 23 23 LEU CD1 C 13 24.102 0.300 . 1 . . . . 979 LEU CD1 . 16497 1 565 . 1 1 23 23 LEU CD2 C 13 24.179 0.300 . 1 . . . . 979 LEU CD2 . 16497 1 566 . 1 1 23 23 LEU N N 15 118.566 0.300 . 1 . . . . 979 LEU N . 16497 1 567 . 1 1 24 24 LEU H H 1 8.503 0.020 . 1 . . . . 980 LEU H . 16497 1 568 . 1 1 24 24 LEU HA H 1 4.008 0.020 . 1 . . . . 980 LEU HA . 16497 1 569 . 1 1 24 24 LEU HB2 H 1 1.791 0.020 . 2 . . . . 980 LEU HB2 . 16497 1 570 . 1 1 24 24 LEU HB3 H 1 1.791 0.020 . 2 . . . . 980 LEU HB3 . 16497 1 571 . 1 1 24 24 LEU HD11 H 1 0.869 0.020 . 1 . . . . 980 LEU HD1 . 16497 1 572 . 1 1 24 24 LEU HD12 H 1 0.869 0.020 . 1 . . . . 980 LEU HD1 . 16497 1 573 . 1 1 24 24 LEU HD13 H 1 0.869 0.020 . 1 . . . . 980 LEU HD1 . 16497 1 574 . 1 1 24 24 LEU HD21 H 1 0.869 0.020 . 1 . . . . 980 LEU HD2 . 16497 1 575 . 1 1 24 24 LEU HD22 H 1 0.869 0.020 . 1 . . . . 980 LEU HD2 . 16497 1 576 . 1 1 24 24 LEU HD23 H 1 0.869 0.020 . 1 . . . . 980 LEU HD2 . 16497 1 577 . 1 1 24 24 LEU HG H 1 1.673 0.020 . 1 . . . . 980 LEU HG . 16497 1 578 . 1 1 24 24 LEU C C 13 177.655 0.300 . 1 . . . . 980 LEU C . 16497 1 579 . 1 1 24 24 LEU CA C 13 57.279 0.300 . 1 . . . . 980 LEU CA . 16497 1 580 . 1 1 24 24 LEU CD1 C 13 24.185 0.300 . 1 . . . . 980 LEU CD1 . 16497 1 581 . 1 1 24 24 LEU CD2 C 13 24.312 0.300 . 1 . . . . 980 LEU CD2 . 16497 1 582 . 1 1 24 24 LEU N N 15 118.806 0.300 . 1 . . . . 980 LEU N . 16497 1 583 . 1 1 25 25 THR H H 1 8.087 0.020 . 1 . . . . 981 THR H . 16497 1 584 . 1 1 25 25 THR HA H 1 4.372 0.020 . 1 . . . . 981 THR HA . 16497 1 585 . 1 1 25 25 THR HB H 1 3.684 0.020 . 1 . . . . 981 THR HB . 16497 1 586 . 1 1 25 25 THR HG1 H 1 4.175 0.020 . 1 . . . . 981 THR HG1 . 16497 1 587 . 1 1 25 25 THR C C 13 175.754 0.300 . 1 . . . . 981 THR C . 16497 1 588 . 1 1 25 25 THR CA C 13 68.119 0.300 . 1 . . . . 981 THR CA . 16497 1 589 . 1 1 25 25 THR N N 15 116.775 0.300 . 1 . . . . 981 THR N . 16497 1 590 . 1 1 26 26 ILE H H 1 7.728 0.020 . 1 . . . . 982 ILE H . 16497 1 591 . 1 1 26 26 ILE HA H 1 3.634 0.020 . 1 . . . . 982 ILE HA . 16497 1 592 . 1 1 26 26 ILE HB H 1 2.049 0.020 . 1 . . . . 982 ILE HB . 16497 1 593 . 1 1 26 26 ILE HD11 H 1 0.813 0.020 . 1 . . . . 982 ILE HD1 . 16497 1 594 . 1 1 26 26 ILE HD12 H 1 0.813 0.020 . 1 . . . . 982 ILE HD1 . 16497 1 595 . 1 1 26 26 ILE HD13 H 1 0.813 0.020 . 1 . . . . 982 ILE HD1 . 16497 1 596 . 1 1 26 26 ILE C C 13 176.981 0.300 . 1 . . . . 982 ILE C . 16497 1 597 . 1 1 26 26 ILE CA C 13 64.984 0.300 . 1 . . . . 982 ILE CA . 16497 1 598 . 1 1 26 26 ILE CD1 C 13 12.896 0.300 . 1 . . . . 982 ILE CD1 . 16497 1 599 . 1 1 26 26 ILE N N 15 120.155 0.300 . 1 . . . . 982 ILE N . 16497 1 600 . 1 1 27 27 LEU H H 1 8.095 0.020 . 1 . . . . 983 LEU H . 16497 1 601 . 1 1 27 27 LEU HA H 1 4.032 0.020 . 1 . . . . 983 LEU HA . 16497 1 602 . 1 1 27 27 LEU HB2 H 1 1.801 0.020 . 2 . . . . 983 LEU HB2 . 16497 1 603 . 1 1 27 27 LEU HB3 H 1 1.801 0.020 . 2 . . . . 983 LEU HB3 . 16497 1 604 . 1 1 27 27 LEU HD11 H 1 0.837 0.020 . 1 . . . . 983 LEU HD1 . 16497 1 605 . 1 1 27 27 LEU HD12 H 1 0.837 0.020 . 1 . . . . 983 LEU HD1 . 16497 1 606 . 1 1 27 27 LEU HD13 H 1 0.837 0.020 . 1 . . . . 983 LEU HD1 . 16497 1 607 . 1 1 27 27 LEU HD21 H 1 0.837 0.020 . 1 . . . . 983 LEU HD2 . 16497 1 608 . 1 1 27 27 LEU HD22 H 1 0.837 0.020 . 1 . . . . 983 LEU HD2 . 16497 1 609 . 1 1 27 27 LEU HD23 H 1 0.837 0.020 . 1 . . . . 983 LEU HD2 . 16497 1 610 . 1 1 27 27 LEU HG H 1 1.801 0.020 . 1 . . . . 983 LEU HG . 16497 1 611 . 1 1 27 27 LEU C C 13 178.314 0.300 . 1 . . . . 983 LEU C . 16497 1 612 . 1 1 27 27 LEU CA C 13 57.958 0.300 . 1 . . . . 983 LEU CA . 16497 1 613 . 1 1 27 27 LEU CD1 C 13 24.079 0.300 . 1 . . . . 983 LEU CD1 . 16497 1 614 . 1 1 27 27 LEU CD2 C 13 24.035 0.300 . 1 . . . . 983 LEU CD2 . 16497 1 615 . 1 1 27 27 LEU N N 15 119.896 0.300 . 1 . . . . 983 LEU N . 16497 1 616 . 1 1 28 28 VAL H H 1 8.807 0.020 . 1 . . . . 984 VAL H . 16497 1 617 . 1 1 28 28 VAL HA H 1 3.911 0.020 . 1 . . . . 984 VAL HA . 16497 1 618 . 1 1 28 28 VAL HB H 1 2.257 0.020 . 1 . . . . 984 VAL HB . 16497 1 619 . 1 1 28 28 VAL HG11 H 1 1.134 0.020 . 1 . . . . 984 VAL HG1 . 16497 1 620 . 1 1 28 28 VAL HG12 H 1 1.134 0.020 . 1 . . . . 984 VAL HG1 . 16497 1 621 . 1 1 28 28 VAL HG13 H 1 1.134 0.020 . 1 . . . . 984 VAL HG1 . 16497 1 622 . 1 1 28 28 VAL HG21 H 1 0.998 0.020 . 1 . . . . 984 VAL HG2 . 16497 1 623 . 1 1 28 28 VAL HG22 H 1 0.998 0.020 . 1 . . . . 984 VAL HG2 . 16497 1 624 . 1 1 28 28 VAL HG23 H 1 0.998 0.020 . 1 . . . . 984 VAL HG2 . 16497 1 625 . 1 1 28 28 VAL C C 13 178.085 0.300 . 1 . . . . 984 VAL C . 16497 1 626 . 1 1 28 28 VAL CA C 13 66.813 0.300 . 1 . . . . 984 VAL CA . 16497 1 627 . 1 1 28 28 VAL CG1 C 13 23.063 0.300 . 1 . . . . 984 VAL CG1 . 16497 1 628 . 1 1 28 28 VAL CG2 C 13 21.680 0.300 . 1 . . . . 984 VAL CG2 . 16497 1 629 . 1 1 28 28 VAL N N 15 119.214 0.300 . 1 . . . . 984 VAL N . 16497 1 630 . 1 1 29 29 LEU H H 1 8.383 0.020 . 1 . . . . 985 LEU H . 16497 1 631 . 1 1 29 29 LEU HA H 1 3.784 0.020 . 1 . . . . 985 LEU HA . 16497 1 632 . 1 1 29 29 LEU HB2 H 1 2.045 0.020 . 2 . . . . 985 LEU HB2 . 16497 1 633 . 1 1 29 29 LEU HB3 H 1 2.045 0.020 . 2 . . . . 985 LEU HB3 . 16497 1 634 . 1 1 29 29 LEU HD11 H 1 0.921 0.020 . 1 . . . . 985 LEU HD1 . 16497 1 635 . 1 1 29 29 LEU HD12 H 1 0.921 0.020 . 1 . . . . 985 LEU HD1 . 16497 1 636 . 1 1 29 29 LEU HD13 H 1 0.921 0.020 . 1 . . . . 985 LEU HD1 . 16497 1 637 . 1 1 29 29 LEU HD21 H 1 0.913 0.020 . 1 . . . . 985 LEU HD2 . 16497 1 638 . 1 1 29 29 LEU HD22 H 1 0.913 0.020 . 1 . . . . 985 LEU HD2 . 16497 1 639 . 1 1 29 29 LEU HD23 H 1 0.913 0.020 . 1 . . . . 985 LEU HD2 . 16497 1 640 . 1 1 29 29 LEU C C 13 178.429 0.300 . 1 . . . . 985 LEU C . 16497 1 641 . 1 1 29 29 LEU CA C 13 58.088 0.300 . 1 . . . . 985 LEU CA . 16497 1 642 . 1 1 29 29 LEU CD1 C 13 25.343 0.300 . 1 . . . . 985 LEU CD1 . 16497 1 643 . 1 1 29 29 LEU CD2 C 13 23.416 0.300 . 1 . . . . 985 LEU CD2 . 16497 1 644 . 1 1 29 29 LEU N N 15 120.996 0.300 . 1 . . . . 985 LEU N . 16497 1 645 . 1 1 30 30 ALA H H 1 8.397 0.020 . 1 . . . . 986 ALA H . 16497 1 646 . 1 1 30 30 ALA HA H 1 4.114 0.020 . 1 . . . . 986 ALA HA . 16497 1 647 . 1 1 30 30 ALA HB1 H 1 1.623 0.020 . 1 . . . . 986 ALA HB . 16497 1 648 . 1 1 30 30 ALA HB2 H 1 1.623 0.020 . 1 . . . . 986 ALA HB . 16497 1 649 . 1 1 30 30 ALA HB3 H 1 1.623 0.020 . 1 . . . . 986 ALA HB . 16497 1 650 . 1 1 30 30 ALA C C 13 179.162 0.300 . 1 . . . . 986 ALA C . 16497 1 651 . 1 1 30 30 ALA CA C 13 55.163 0.300 . 1 . . . . 986 ALA CA . 16497 1 652 . 1 1 30 30 ALA N N 15 121.876 0.300 . 1 . . . . 986 ALA N . 16497 1 653 . 1 1 31 31 MET H H 1 8.700 0.020 . 1 . . . . 987 MET H . 16497 1 654 . 1 1 31 31 MET HA H 1 3.986 0.020 . 1 . . . . 987 MET HA . 16497 1 655 . 1 1 31 31 MET HB2 H 1 2.062 0.020 . 1 . . . . 987 MET HB2 . 16497 1 656 . 1 1 31 31 MET HB3 H 1 2.062 0.020 . 1 . . . . 987 MET HB3 . 16497 1 657 . 1 1 31 31 MET HG2 H 1 2.784 0.020 . 2 . . . . 987 MET HG2 . 16497 1 658 . 1 1 31 31 MET HG3 H 1 2.531 0.020 . 2 . . . . 987 MET HG3 . 16497 1 659 . 1 1 31 31 MET C C 13 178.109 0.300 . 1 . . . . 987 MET C . 16497 1 660 . 1 1 31 31 MET CA C 13 58.633 0.300 . 1 . . . . 987 MET CA . 16497 1 661 . 1 1 31 31 MET N N 15 116.556 0.300 . 1 . . . . 987 MET N . 16497 1 662 . 1 1 32 32 TRP H H 1 9.347 0.020 . 1 . . . . 988 TRP H . 16497 1 663 . 1 1 32 32 TRP HA H 1 4.057 0.020 . 1 . . . . 988 TRP HA . 16497 1 664 . 1 1 32 32 TRP HB2 H 1 3.932 0.020 . 2 . . . . 988 TRP HB2 . 16497 1 665 . 1 1 32 32 TRP HB3 H 1 3.443 0.020 . 2 . . . . 988 TRP HB3 . 16497 1 666 . 1 1 32 32 TRP C C 13 180.427 0.300 . 1 . . . . 988 TRP C . 16497 1 667 . 1 1 32 32 TRP CA C 13 59.815 0.300 . 1 . . . . 988 TRP CA . 16497 1 668 . 1 1 32 32 TRP N N 15 122.282 0.300 . 1 . . . . 988 TRP N . 16497 1 669 . 1 1 33 33 LYS H H 1 8.504 0.020 . 1 . . . . 989 LYS H . 16497 1 670 . 1 1 33 33 LYS HA H 1 3.711 0.020 . 1 . . . . 989 LYS HA . 16497 1 671 . 1 1 33 33 LYS HB2 H 1 2.044 0.020 . 1 . . . . 989 LYS HB2 . 16497 1 672 . 1 1 33 33 LYS HB3 H 1 2.044 0.020 . 1 . . . . 989 LYS HB3 . 16497 1 673 . 1 1 33 33 LYS C C 13 177.754 0.300 . 1 . . . . 989 LYS C . 16497 1 674 . 1 1 33 33 LYS CA C 13 57.718 0.300 . 1 . . . . 989 LYS CA . 16497 1 675 . 1 1 33 33 LYS N N 15 121.768 0.300 . 1 . . . . 989 LYS N . 16497 1 676 . 1 1 34 34 VAL H H 1 7.627 0.020 . 1 . . . . 990 VAL H . 16497 1 677 . 1 1 34 34 VAL HA H 1 4.264 0.020 . 1 . . . . 990 VAL HA . 16497 1 678 . 1 1 34 34 VAL HB H 1 2.423 0.020 . 1 . . . . 990 VAL HB . 16497 1 679 . 1 1 34 34 VAL HG11 H 1 1.032 0.020 . 1 . . . . 990 VAL HG1 . 16497 1 680 . 1 1 34 34 VAL HG12 H 1 1.032 0.020 . 1 . . . . 990 VAL HG1 . 16497 1 681 . 1 1 34 34 VAL HG13 H 1 1.032 0.020 . 1 . . . . 990 VAL HG1 . 16497 1 682 . 1 1 34 34 VAL HG21 H 1 1.097 0.020 . 1 . . . . 990 VAL HG2 . 16497 1 683 . 1 1 34 34 VAL HG22 H 1 1.097 0.020 . 1 . . . . 990 VAL HG2 . 16497 1 684 . 1 1 34 34 VAL HG23 H 1 1.097 0.020 . 1 . . . . 990 VAL HG2 . 16497 1 685 . 1 1 34 34 VAL C C 13 175.966 0.300 . 1 . . . . 990 VAL C . 16497 1 686 . 1 1 34 34 VAL CA C 13 61.036 0.300 . 1 . . . . 990 VAL CA . 16497 1 687 . 1 1 34 34 VAL CG1 C 13 20.912 0.300 . 1 . . . . 990 VAL CG1 . 16497 1 688 . 1 1 34 34 VAL CG2 C 13 20.075 0.300 . 1 . . . . 990 VAL CG2 . 16497 1 689 . 1 1 34 34 VAL N N 15 109.925 0.300 . 1 . . . . 990 VAL N . 16497 1 690 . 1 1 35 35 GLY H H 1 7.596 0.020 . 1 . . . . 991 GLY H . 16497 1 691 . 1 1 35 35 GLY HA2 H 1 4.217 0.020 . 2 . . . . 991 GLY HA2 . 16497 1 692 . 1 1 35 35 GLY HA3 H 1 3.913 0.020 . 2 . . . . 991 GLY HA3 . 16497 1 693 . 1 1 35 35 GLY C C 13 176.451 0.300 . 1 . . . . 991 GLY C . 16497 1 694 . 1 1 35 35 GLY CA C 13 45.707 0.300 . 1 . . . . 991 GLY CA . 16497 1 695 . 1 1 35 35 GLY N N 15 107.223 0.300 . 1 . . . . 991 GLY N . 16497 1 696 . 1 1 36 36 PHE H H 1 8.339 0.020 . 1 . . . . 992 PHE H . 16497 1 697 . 1 1 36 36 PHE HA H 1 4.035 0.020 . 1 . . . . 992 PHE HA . 16497 1 698 . 1 1 36 36 PHE HB2 H 1 3.315 0.020 . 2 . . . . 992 PHE HB2 . 16497 1 699 . 1 1 36 36 PHE HB3 H 1 3.195 0.020 . 2 . . . . 992 PHE HB3 . 16497 1 700 . 1 1 36 36 PHE C C 13 175.179 0.300 . 1 . . . . 992 PHE C . 16497 1 701 . 1 1 36 36 PHE CA C 13 61.044 0.300 . 1 . . . . 992 PHE CA . 16497 1 702 . 1 1 36 36 PHE N N 15 121.025 0.300 . 1 . . . . 992 PHE N . 16497 1 703 . 1 1 37 37 PHE H H 1 8.602 0.020 . 1 . . . . 993 PHE H . 16497 1 704 . 1 1 37 37 PHE HA H 1 4.451 0.020 . 1 . . . . 993 PHE HA . 16497 1 705 . 1 1 37 37 PHE HB2 H 1 3.458 0.020 . 2 . . . . 993 PHE HB2 . 16497 1 706 . 1 1 37 37 PHE HB3 H 1 3.084 0.020 . 2 . . . . 993 PHE HB3 . 16497 1 707 . 1 1 37 37 PHE C C 13 174.619 0.300 . 1 . . . . 993 PHE C . 16497 1 708 . 1 1 37 37 PHE CA C 13 57.509 0.300 . 1 . . . . 993 PHE CA . 16497 1 709 . 1 1 37 37 PHE N N 15 112.060 0.300 . 1 . . . . 993 PHE N . 16497 1 710 . 1 1 38 38 LYS H H 1 7.132 0.020 . 1 . . . . 994 LYS H . 16497 1 711 . 1 1 38 38 LYS HA H 1 4.312 0.020 . 1 . . . . 994 LYS HA . 16497 1 712 . 1 1 38 38 LYS HB2 H 1 1.846 0.020 . 2 . . . . 994 LYS HB2 . 16497 1 713 . 1 1 38 38 LYS HB3 H 1 1.756 0.020 . 2 . . . . 994 LYS HB3 . 16497 1 714 . 1 1 38 38 LYS C C 13 176.307 0.300 . 1 . . . . 994 LYS C . 16497 1 715 . 1 1 38 38 LYS CA C 13 56.678 0.300 . 1 . . . . 994 LYS CA . 16497 1 716 . 1 1 38 38 LYS N N 15 120.113 0.300 . 1 . . . . 994 LYS N . 16497 1 717 . 1 1 39 39 ARG H H 1 8.579 0.020 . 1 . . . . 995 ARG H . 16497 1 718 . 1 1 39 39 ARG HA H 1 4.361 0.020 . 1 . . . . 995 ARG HA . 16497 1 719 . 1 1 39 39 ARG HB2 H 1 1.864 0.020 . 2 . . . . 995 ARG HB2 . 16497 1 720 . 1 1 39 39 ARG HB3 H 1 1.680 0.020 . 2 . . . . 995 ARG HB3 . 16497 1 721 . 1 1 39 39 ARG HD2 H 1 3.189 0.020 . 1 . . . . 995 ARG HD2 . 16497 1 722 . 1 1 39 39 ARG HD3 H 1 3.189 0.020 . 1 . . . . 995 ARG HD3 . 16497 1 723 . 1 1 39 39 ARG HG2 H 1 1.495 0.020 . 1 . . . . 995 ARG HG2 . 16497 1 724 . 1 1 39 39 ARG HG3 H 1 1.495 0.020 . 1 . . . . 995 ARG HG3 . 16497 1 725 . 1 1 39 39 ARG C C 13 176.088 0.300 . 1 . . . . 995 ARG C . 16497 1 726 . 1 1 39 39 ARG CA C 13 54.458 0.300 . 1 . . . . 995 ARG CA . 16497 1 727 . 1 1 39 39 ARG N N 15 123.453 0.300 . 1 . . . . 995 ARG N . 16497 1 728 . 1 1 40 40 ASN H H 1 8.894 0.020 . 1 . . . . 996 ASN H . 16497 1 729 . 1 1 40 40 ASN HA H 1 4.812 0.020 . 1 . . . . 996 ASN HA . 16497 1 730 . 1 1 40 40 ASN C C 13 174.187 0.300 . 1 . . . . 996 ASN C . 16497 1 731 . 1 1 40 40 ASN CA C 13 52.468 0.300 . 1 . . . . 996 ASN CA . 16497 1 732 . 1 1 40 40 ASN N N 15 121.934 0.300 . 1 . . . . 996 ASN N . 16497 1 733 . 1 1 41 41 ARG H H 1 8.048 0.020 . 1 . . . . 997 ARG H . 16497 1 734 . 1 1 41 41 ARG HA H 1 4.323 0.020 . 1 . . . . 997 ARG HA . 16497 1 735 . 1 1 41 41 ARG CA C 13 53.204 0.300 . 1 . . . . 997 ARG CA . 16497 1 736 . 1 1 41 41 ARG N N 15 122.633 0.300 . 1 . . . . 997 ARG N . 16497 1 stop_ save_