data_15775 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shift assignment for the transmembrane and C-terminal domains of amyloid precursor protein (APP C99) ; _BMRB_accession_number 15775 _BMRB_flat_file_name bmr15775.str _Entry_type original _Submission_date 2008-05-15 _Accession_date 2008-05-15 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sanders Charles R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 99 "13C chemical shifts" 284 "15N chemical shifts" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-02-24 update BMRB 'complete entry citation' 2008-08-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural Studies of the Transmembrane C-Terminal Domain of the Amyloid Precursor Protein (APP): Does APP Function as a Cholesterol Sensor?' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18702528 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Beel Andrew J. . 2 Mobley Charles K. . 3 Kim Hak J. . 4 Tian Fang . . 5 Hadziselimovic Arina . . 6 Jap Bing . . 7 Prestegard James H . 8 Sanders Charles R. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 47 _Journal_issue 36 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9428 _Page_last 9446 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'The transmembrane C-terminal domain of the Amyloid Precursor Protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'APP C99' $APP_C99 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_APP_C99 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common APP_C99 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; MDAEFRHDSGYEVHHQKLVF FAEDVGSNKGAIIGLMVGGV VIATVIVITLVMLKKKQYTS IHHGVVEVDAAVTPEERHLS KMQQNGYENPTYKFFEQMQN QGRILQISITLAAALEHHHH HH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 671 MET 2 672 ASP 3 673 ALA 4 674 GLU 5 675 PHE 6 676 ARG 7 677 HIS 8 678 ASP 9 679 SER 10 680 GLY 11 681 TYR 12 682 GLU 13 683 VAL 14 684 HIS 15 685 HIS 16 686 GLN 17 687 LYS 18 688 LEU 19 689 VAL 20 690 PHE 21 691 PHE 22 692 ALA 23 693 GLU 24 694 ASP 25 695 VAL 26 696 GLY 27 697 SER 28 698 ASN 29 699 LYS 30 700 GLY 31 701 ALA 32 702 ILE 33 703 ILE 34 704 GLY 35 705 LEU 36 706 MET 37 707 VAL 38 708 GLY 39 709 GLY 40 710 VAL 41 711 VAL 42 712 ILE 43 713 ALA 44 714 THR 45 715 VAL 46 716 ILE 47 717 VAL 48 718 ILE 49 719 THR 50 720 LEU 51 721 VAL 52 722 MET 53 723 LEU 54 724 LYS 55 725 LYS 56 726 LYS 57 727 GLN 58 728 TYR 59 729 THR 60 730 SER 61 731 ILE 62 732 HIS 63 733 HIS 64 734 GLY 65 735 VAL 66 736 VAL 67 737 GLU 68 738 VAL 69 739 ASP 70 740 ALA 71 741 ALA 72 742 VAL 73 743 THR 74 744 PRO 75 745 GLU 76 746 GLU 77 747 ARG 78 748 HIS 79 749 LEU 80 750 SER 81 751 LYS 82 752 MET 83 753 GLN 84 754 GLN 85 755 ASN 86 756 GLY 87 757 TYR 88 758 GLU 89 759 ASN 90 760 PRO 91 761 THR 92 762 TYR 93 763 LYS 94 764 PHE 95 765 PHE 96 766 GLU 97 767 GLN 98 768 MET 99 769 GLN 100 770 ASN 101 771 GLN 102 772 GLY 103 773 ARG 104 774 ILE 105 775 LEU 106 776 GLN 107 777 ILE 108 778 SER 109 779 ILE 110 780 THR 111 781 LEU 112 782 ALA 113 783 ALA 114 784 ALA 115 785 LEU 116 786 GLU 117 787 HIS 118 788 HIS 119 789 HIS 120 790 HIS 121 791 HIS 122 792 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LP1 "The Solution Nmr Structure Of The Transmembrane C-Terminal Domain Of The Amyloid Precursor Protein (C99)" 100.00 122 100.00 100.00 3.29e-82 DBJ BAA22264 "amyloid precursor protein [Homo sapiens]" 81.97 770 100.00 100.00 1.92e-59 DBJ BAA84580 "amyloid precursor protein [Sus scrofa]" 81.97 770 100.00 100.00 6.08e-59 DBJ BAC34997 "unnamed protein product [Mus musculus]" 81.97 218 97.00 98.00 8.22e-63 DBJ BAC36369 "unnamed protein product [Mus musculus]" 81.97 384 97.00 98.00 4.15e-61 DBJ BAE01907 "unnamed protein product [Macaca fascicularis]" 81.97 751 100.00 100.00 2.55e-59 EMBL CAA30050 "amyloid A4 protein [Homo sapiens]" 81.97 751 100.00 100.00 2.55e-59 EMBL CAA30488 "unnamed protein product [Rattus rattus]" 81.97 695 97.00 98.00 4.49e-59 EMBL CAA31830 "A4 amyloid protein precursor [Homo sapiens]" 81.97 695 100.00 100.00 6.03e-62 EMBL CAA66230 "putative amyloid precursor protein [Cavia sp.]" 81.97 695 100.00 100.00 6.03e-62 EMBL CAA68374 "unnamed protein product [Homo sapiens]" 81.97 695 100.00 100.00 5.39e-62 GB AAA35540 "amyloid protein, partial [Homo sapiens]" 79.51 97 98.97 98.97 4.49e-62 GB AAA36829 "amyloid b-protein precursor [Macaca fascicularis]" 81.97 695 100.00 100.00 5.39e-62 GB AAA37139 "beta-amyloid protein [Mus musculus]" 81.97 695 97.00 98.00 4.10e-59 GB AAA51722 "amyloid beta-protein precursor, partial [Homo sapiens]" 81.97 412 100.00 100.00 3.94e-64 GB AAA51726 "beta-amyloid A4, partial [Homo sapiens]" 81.97 264 100.00 100.00 5.60e-65 PIR PQ0438 "Alzheimer's disease amyloid A4 protein precursor - rabbit (fragment)" 54.92 82 100.00 100.00 3.97e-38 PRF 1303338A "amyloid A4 protein precursor" 81.97 695 100.00 100.00 5.39e-62 PRF 1403400A "amyloid protein A4" 81.97 751 100.00 100.00 2.55e-59 PRF 1507304A "beta amyloid peptide precursor" 81.97 412 100.00 100.00 3.77e-64 PRF 1507304B "beta amyloid peptide precursor" 81.97 574 100.00 100.00 6.80e-63 PRF 1507304C "beta amyloid peptide precursor" 81.97 165 100.00 100.00 1.16e-65 REF NP_000475 "amyloid beta A4 protein isoform a precursor [Homo sapiens]" 81.97 770 100.00 100.00 1.92e-59 REF NP_001006601 "amyloid beta A4 protein isoform APP-770 precursor [Canis lupus familiaris]" 81.97 770 100.00 100.00 3.19e-59 REF NP_001013036 "amyloid beta A4 protein precursor [Pan troglodytes]" 81.97 770 100.00 100.00 2.16e-59 REF NP_001070264 "amyloid beta A4 protein precursor [Bos taurus]" 81.97 695 100.00 100.00 5.61e-62 REF NP_001127014 "amyloid beta A4 protein precursor [Pongo abelii]" 81.97 695 100.00 100.00 7.25e-62 SP P05067 "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; AltName: Full=APPI; Short=APP; AltName: Full=Alzheimer disease amylo" 81.97 770 100.00 100.00 1.92e-59 SP P08592 "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" 81.97 770 97.00 98.00 1.66e-56 SP P12023 "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" 81.97 770 97.00 98.00 1.32e-56 SP P53601 "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" 81.97 770 100.00 100.00 1.65e-59 SP P79307 "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" 81.97 770 100.00 100.00 6.08e-59 TPG DAA33655 "TPA: amyloid beta A4 protein [Bos taurus]" 81.97 695 100.00 100.00 5.61e-62 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $APP_C99 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $APP_C99 'recombinant technology' . Escherichia coli . pET-21a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '13C, 15N, 2H(70%) in 9% LMPG micelle solution, 250 mM imidazole-acetate, 1 mM EDTA, pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $APP_C99 2.5 mM '[U-100% 13C; U-100% 15N; 80% 2H]' 'LMPG micelle' 9 % . imidazole-acetate 250 mM . EDTA 1 mM . stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version 2000 loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 6.5 . pH pressure 1 . atm temperature 318 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $Felix stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HN(COCA)CB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'APP C99' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 673 3 ALA H H 8.1390 0.03 1 2 673 3 ALA C C 177.382 0.2 1 3 673 3 ALA CA C 52.236 0.25 1 4 673 3 ALA CB C 18.716 0.35 1 5 673 3 ALA N N 124.570 0.1 1 6 674 4 GLU H H 8.0860 0.03 1 7 674 4 GLU C C 176.123 0.2 1 8 674 4 GLU CA C 56.182 0.25 1 9 674 4 GLU CB C 29.365 0.35 1 10 674 4 GLU N N 119.561 0.1 1 11 675 5 PHE H H 7.8710 0.03 1 12 675 5 PHE C C 175.422 0.2 1 13 675 5 PHE CA C 57.203 0.25 1 14 675 5 PHE CB C 38.784 0.35 1 15 675 5 PHE N N 120.624 0.1 1 16 676 6 ARG H H 7.8410 0.03 1 17 676 6 ARG CA C 55.516 0.25 1 18 676 6 ARG CB C 29.689 0.35 1 19 676 6 ARG N N 122.130 0.1 1 20 677 7 HIS C C 174.292 0.2 1 21 678 8 ASP H H 8.1770 0.03 1 22 678 8 ASP C C 176.159 0.2 1 23 678 8 ASP CA C 53.923 0.25 1 24 678 8 ASP CB C 40.749 0.35 1 25 678 8 ASP N N 121.723 0.1 1 26 679 9 SER H H 8.1190 0.03 1 27 679 9 SER C C 175.022 0.2 1 28 679 9 SER CA C 58.428 0.25 1 29 679 9 SER CB C 63.586 0.35 1 30 679 9 SER N N 116.437 0.1 1 31 680 10 GLY H H 8.2540 0.03 1 32 680 10 GLY C C 174.008 0.2 1 33 680 10 GLY CA C 45.099 0.25 1 34 680 10 GLY N N 110.751 0.1 1 35 681 11 TYR H H 7.7850 0.03 1 36 681 11 TYR C C 175.648 0.2 1 37 681 11 TYR CA C 57.983 0.25 1 38 681 11 TYR CB C 38.307 0.35 1 39 681 11 TYR N N 120.438 0.1 1 40 682 12 GLU H H 8.0790 0.03 1 41 682 12 GLU CA C 56.172 0.25 1 42 682 12 GLU CB C 29.586 0.35 1 43 682 12 GLU N N 122.316 0.1 1 44 687 17 LYS C C 177.202 0.2 1 45 688 18 LEU H H 7.9300 0.03 1 46 688 18 LEU C C 177.245 0.2 1 47 688 18 LEU CA C 56.078 0.25 1 48 688 18 LEU CB C 40.851 0.35 1 49 688 18 LEU N N 120.996 0.1 1 50 689 19 VAL H H 7.5580 0.03 1 51 689 19 VAL C C 176.362 0.2 1 52 689 19 VAL CA C 63.671 0.25 1 53 689 19 VAL CB C 31.490 0.35 1 54 689 19 VAL N N 118.167 0.1 1 55 690 20 PHE H H 7.6370 0.03 1 56 690 20 PHE C C 176.353 0.2 1 57 690 20 PHE CA C 58.499 0.25 1 58 690 20 PHE CB C 38.456 0.35 1 59 690 20 PHE N N 120.127 0.1 1 60 691 21 PHE H H 7.6430 0.03 1 61 691 21 PHE C C 175.948 0.2 1 62 691 21 PHE CA C 58.522 0.25 1 63 691 21 PHE CB C 38.771 0.35 1 64 691 21 PHE N N 118.695 0.1 1 65 692 22 ALA H H 7.9350 0.03 1 66 692 22 ALA C C 178.283 0.2 1 67 692 22 ALA CA C 53.446 0.25 1 68 692 22 ALA CB C 18.266 0.35 1 69 692 22 ALA N N 122.085 0.1 1 70 693 23 GLU H H 8.0080 0.03 1 71 693 23 GLU C C 177.164 0.2 1 72 693 23 GLU CA C 57.306 0.25 1 73 693 23 GLU CB C 28.857 0.35 1 74 693 23 GLU N N 117.139 0.1 1 75 694 24 ASP H H 7.9310 0.03 1 76 694 24 ASP C C 177.172 0.2 1 77 694 24 ASP CA C 54.776 0.25 1 78 694 24 ASP CB C 40.097 0.35 1 79 694 24 ASP N N 119.273 0.1 1 80 695 25 VAL H H 7.7330 0.03 1 81 695 25 VAL C C 176.702 0.2 1 82 695 25 VAL CA C 63.577 0.25 1 83 695 25 VAL CB C 31.320 0.35 1 84 695 25 VAL N N 118.731 0.1 1 85 696 26 GLY H H 7.9820 0.03 1 86 696 26 GLY C C 174.241 0.2 1 87 696 26 GLY CA C 45.767 0.25 1 88 696 26 GLY N N 107.608 0.1 1 89 697 27 SER H H 7.6770 0.03 1 90 697 27 SER C C 174.356 0.2 1 91 697 27 SER CA C 58.419 0.25 1 92 697 27 SER CB C 63.632 0.35 1 93 697 27 SER N N 114.367 0.1 1 94 698 28 ASN H H 7.9610 0.03 1 95 698 28 ASN C C 175.238 0.2 1 96 698 28 ASN CA C 52.987 0.25 1 97 698 28 ASN CB C 38.663 0.35 1 98 698 28 ASN N N 120.938 0.1 1 99 699 29 LYS H H 8.2820 0.03 1 100 699 29 LYS C C 177.714 0.2 1 101 699 29 LYS CA C 58.796 0.25 1 102 699 29 LYS CB C 31.653 0.35 1 103 699 29 LYS N N 122.281 0.1 1 104 700 30 GLY H H 8.3400 0.03 1 105 700 30 GLY C C 175.126 0.2 1 106 700 30 GLY CA C 46.888 0.25 1 107 700 30 GLY N N 106.683 0.1 1 108 701 31 ALA H H 7.7150 0.03 1 109 701 31 ALA C C 178.774 0.2 1 110 701 31 ALA CA C 54.484 0.25 1 111 701 31 ALA CB C 17.796 0.35 1 112 701 31 ALA N N 122.746 0.1 1 113 702 32 ILE H H 7.5580 0.03 1 114 702 32 ILE C C 177.636 0.2 1 115 702 32 ILE CA C 64.103 0.25 1 116 702 32 ILE CB C 36.339 0.35 1 117 702 32 ILE N N 116.514 0.1 1 118 703 33 ILE H H 7.9310 0.03 1 119 703 33 ILE C C 178.022 0.2 1 120 703 33 ILE CA C 64.701 0.25 1 121 703 33 ILE CB C 36.017 0.35 1 122 703 33 ILE N N 119.558 0.1 1 123 704 34 GLY H H 8.2230 0.03 1 124 704 34 GLY C C 174.760 0.2 1 125 704 34 GLY CA C 47.536 0.25 1 126 704 34 GLY N N 106.684 0.1 1 127 705 35 LEU H H 8.0730 0.03 1 128 705 35 LEU C C 178.392 0.2 1 129 705 35 LEU CA C 57.766 0.25 1 130 705 35 LEU CB C 41.192 0.35 1 131 705 35 LEU N N 121.037 0.1 1 132 706 36 MET H H 7.9890 0.03 1 133 706 36 MET C C 177.705 0.2 1 134 706 36 MET CA C 59.157 0.25 1 135 706 36 MET N N 117.646 0.1 1 136 707 37 VAL H H 8.3980 0.03 1 137 707 37 VAL C C 177.980 0.2 1 138 707 37 VAL CA C 66.437 0.25 1 139 707 37 VAL CB C 30.250 0.35 1 140 707 37 VAL N N 117.993 0.1 1 141 708 38 GLY H H 8.5230 0.03 1 142 708 38 GLY C C 174.916 0.2 1 143 708 38 GLY CA C 47.173 0.25 1 144 708 38 GLY N N 106.333 0.1 1 145 709 39 GLY H H 8.5300 0.03 1 146 709 39 GLY C C 174.357 0.2 1 147 709 39 GLY CA C 47.079 0.25 1 148 709 39 GLY N N 108.592 0.1 1 149 710 40 VAL H H 7.9950 0.03 1 150 710 40 VAL C C 178.940 0.2 1 151 710 40 VAL CA C 66.398 0.25 1 152 710 40 VAL CB C 30.644 0.35 1 153 710 40 VAL N N 121.037 0.1 1 154 711 41 VAL H H 8.2810 0.03 1 155 711 41 VAL C C 177.241 0.2 1 156 711 41 VAL CA C 67.233 0.25 1 157 711 41 VAL CB C 30.324 0.35 1 158 711 41 VAL N N 122.600 0.1 1 159 712 42 ILE H H 8.2410 0.03 1 160 712 42 ILE C C 177.379 0.2 1 161 712 42 ILE CA C 64.714 0.25 1 162 712 42 ILE CB C 36.412 0.35 1 163 712 42 ILE N N 118.880 0.1 1 164 713 43 ALA H H 8.3520 0.03 1 165 713 43 ALA C C 178.593 0.2 1 166 713 43 ALA CA C 55.322 0.25 1 167 713 43 ALA CB C 17.400 0.35 1 168 713 43 ALA N N 120.783 0.1 1 169 714 44 THR H H 7.9470 0.03 1 170 714 44 THR C C 176.180 0.2 1 171 714 44 THR CA C 67.701 0.25 1 172 714 44 THR CB C 67.059 0.35 1 173 714 44 THR N N 114.276 0.1 1 174 715 45 VAL H H 8.0270 0.03 1 175 715 45 VAL C C 178.973 0.2 1 176 715 45 VAL CA C 66.576 0.25 1 177 715 45 VAL N N 120.472 0.1 1 178 716 46 ILE H H 8.2290 0.03 1 179 716 46 ILE C C 176.997 0.2 1 180 716 46 ILE CA C 65.733 0.25 1 181 716 46 ILE CB C 36.018 0.35 1 182 716 46 ILE N N 122.186 0.1 1 183 717 47 VAL H H 8.2460 0.03 1 184 717 47 VAL C C 177.610 0.2 1 185 717 47 VAL CA C 67.400 0.25 1 186 717 47 VAL CB C 29.976 0.35 1 187 717 47 VAL N N 119.307 0.1 1 188 718 48 ILE H H 8.3850 0.03 1 189 718 48 ILE C C 177.606 0.2 1 190 718 48 ILE CA C 65.183 0.25 1 191 718 48 ILE CB C 36.830 0.35 1 192 718 48 ILE N N 117.969 0.1 1 193 719 49 THR H H 7.9870 0.03 1 194 719 49 THR C C 176.204 0.2 1 195 719 49 THR CA C 67.766 0.25 1 196 719 49 THR CB C 67.521 0.35 1 197 719 49 THR N N 117.096 0.1 1 198 720 50 LEU H H 8.1770 0.03 1 199 720 50 LEU C C 179.266 0.2 1 200 720 50 LEU CA C 58.141 0.25 1 201 720 50 LEU CB C 40.969 0.35 1 202 720 50 LEU N N 120.849 0.1 1 203 721 51 VAL H H 8.2490 0.03 1 204 721 51 VAL C C 178.380 0.2 1 205 721 51 VAL CA C 66.392 0.25 1 206 721 51 VAL CB C 30.257 0.35 1 207 721 51 VAL N N 118.776 0.1 1 208 722 52 MET H H 8.2830 0.03 1 209 722 52 MET C C 179.116 0.2 1 210 722 52 MET CA C 57.953 0.25 1 211 722 52 MET CB C 30.943 0.35 1 212 722 52 MET N N 118.434 0.1 1 213 723 53 LEU H H 8.3900 0.03 1 214 723 53 LEU CA C 57.298 0.25 1 215 723 53 LEU CB C 40.851 0.35 1 216 723 53 LEU N N 119.703 0.1 1 217 727 57 GLN C C 176.684 0.2 1 218 728 58 TYR H H 7.9000 0.03 1 219 728 58 TYR C C 176.574 0.2 1 220 728 58 TYR CA C 58.706 0.25 1 221 728 58 TYR CB C 38.077 0.35 1 222 728 58 TYR N N 119.448 0.1 1 223 729 59 THR H H 7.7870 0.03 1 224 729 59 THR C C 174.857 0.2 1 225 729 59 THR CA C 62.448 0.25 1 226 729 59 THR CB C 68.672 0.35 1 227 729 59 THR N N 113.376 0.1 1 228 730 60 SER H H 7.8250 0.03 1 229 730 60 SER C C 174.736 0.2 1 230 730 60 SER CA C 58.609 0.25 1 231 730 60 SER CB C 63.422 0.35 1 232 730 60 SER N N 117.210 0.1 1 233 731 61 ILE H H 7.6300 0.03 1 234 731 61 ILE C C 175.977 0.2 1 235 731 61 ILE CA C 61.217 0.25 1 236 731 61 ILE CB C 37.778 0.35 1 237 731 61 ILE N N 120.779 0.1 1 238 732 62 HIS H H 8.0340 0.03 1 239 732 62 HIS CA C 55.052 0.25 1 240 732 62 HIS CB C 28.706 0.35 1 241 732 62 HIS N N 120.779 0.1 1 242 733 63 HIS C C 174.825 0.2 1 243 734 64 GLY H H 8.2160 0.03 1 244 734 64 GLY C C 173.774 0.2 1 245 734 64 GLY CA C 44.944 0.25 1 246 734 64 GLY N N 110.214 0.1 1 247 735 65 VAL H H 7.8260 0.03 1 248 735 65 VAL C C 176.042 0.2 1 249 735 65 VAL CA C 61.984 0.25 1 250 735 65 VAL CB C 32.021 0.35 1 251 735 65 VAL N N 119.845 0.1 1 252 736 66 VAL H H 7.9040 0.03 1 253 736 66 VAL C C 175.857 0.2 1 254 736 66 VAL CA C 61.709 0.25 1 255 736 66 VAL CB C 32.025 0.35 1 256 736 66 VAL N N 123.429 0.1 1 257 737 67 GLU H H 8.1900 0.03 1 258 737 67 GLU C C 176.272 0.2 1 259 737 67 GLU CA C 55.883 0.25 1 260 737 67 GLU CB C 29.560 0.35 1 261 737 67 GLU N N 125.095 0.1 1 262 738 68 VAL H H 7.9090 0.03 1 263 738 68 VAL C C 175.782 0.2 1 264 738 68 VAL CA C 61.889 0.25 1 265 738 68 VAL CB C 32.061 0.35 1 266 738 68 VAL N N 121.095 0.1 1 267 739 69 ASP H H 8.1250 0.03 1 268 739 69 ASP C C 175.878 0.2 1 269 739 69 ASP CA C 53.929 0.25 1 270 739 69 ASP CB C 40.531 0.35 1 271 739 69 ASP N N 123.432 0.1 1 272 740 70 ALA H H 7.8720 0.03 1 273 740 70 ALA C C 177.255 0.2 1 274 740 70 ALA CA C 52.144 0.25 1 275 740 70 ALA CB C 18.706 0.35 1 276 740 70 ALA N N 124.522 0.1 1 277 741 71 ALA H H 7.9820 0.03 1 278 741 71 ALA C C 177.622 0.2 1 279 741 71 ALA CA C 51.969 0.25 1 280 741 71 ALA CB C 18.596 0.35 1 281 741 71 ALA N N 123.219 0.1 1 282 742 72 VAL H H 7.6630 0.03 1 283 742 72 VAL C C 176.111 0.2 1 284 742 72 VAL CA C 61.513 0.25 1 285 742 72 VAL CB C 32.070 0.35 1 286 742 72 VAL N N 118.516 0.1 1 287 743 73 THR H H 7.9500 0.03 1 288 743 73 THR CA C 59.360 0.25 1 289 743 73 THR CB C 68.971 0.35 1 290 743 73 THR N N 119.110 0.1 1 291 747 77 ARG C C 176.040 0.2 1 292 748 78 HIS H H 7.9630 0.03 1 293 748 78 HIS C C 174.974 0.2 1 294 748 78 HIS CA C 55.525 0.25 1 295 748 78 HIS CB C 28.526 0.35 1 296 748 78 HIS N N 120.780 0.1 1 297 749 79 LEU H H 8.0220 0.03 1 298 749 79 LEU C C 177.546 0.2 1 299 749 79 LEU CA C 55.319 0.25 1 300 749 79 LEU CB C 41.364 0.35 1 301 749 79 LEU N N 122.657 0.1 1 302 750 80 SER H H 8.0330 0.03 1 303 750 80 SER CA C 58.422 0.25 1 304 750 80 SER CB C 63.528 0.35 1 305 750 80 SER N N 116.236 0.1 1 306 752 82 MET C C 176.449 0.2 1 307 753 83 GLN H H 7.9430 0.03 1 308 753 83 GLN C C 176.144 0.2 1 309 753 83 GLN CA C 55.785 0.25 1 310 753 83 GLN CB C 28.676 0.35 1 311 753 83 GLN N N 120.327 0.1 1 312 754 84 GLN H H 8.0730 0.03 1 313 754 84 GLN C C 175.820 0.2 1 314 754 84 GLN CA C 55.796 0.25 1 315 754 84 GLN CB C 28.820 0.35 1 316 754 84 GLN N N 120.923 0.1 1 317 755 85 ASN H H 8.1790 0.03 1 318 755 85 ASN C C 175.586 0.2 1 319 755 85 ASN CA C 53.156 0.25 1 320 755 85 ASN CB C 38.618 0.35 1 321 755 85 ASN N N 119.262 0.1 1 322 756 86 GLY H H 8.0910 0.03 1 323 756 86 GLY C C 173.807 0.2 1 324 756 86 GLY CA C 45.125 0.25 1 325 756 86 GLY N N 109.349 0.1 1 326 757 87 TYR H H 7.7220 0.03 1 327 757 87 TYR C C 175.547 0.2 1 328 757 87 TYR CA C 57.489 0.25 1 329 757 87 TYR CB C 38.092 0.35 1 330 757 87 TYR N N 119.779 0.1 1 331 758 88 GLU H H 7.9940 0.03 1 332 758 88 GLU C C 175.386 0.2 1 333 758 88 GLU CA C 55.703 0.25 1 334 758 88 GLU CB C 29.633 0.35 1 335 758 88 GLU N N 122.269 0.1 1 336 759 89 ASN H H 8.1060 0.03 1 337 759 89 ASN CA C 51.473 0.25 1 338 759 89 ASN CB C 38.548 0.35 1 339 759 89 ASN N N 120.981 0.1 1 340 760 90 PRO C C 177.776 0.2 1 341 761 91 THR H H 7.9310 0.03 1 342 761 91 THR C C 175.532 0.2 1 343 761 91 THR CA C 64.711 0.25 1 344 761 91 THR CB C 68.176 0.35 1 345 761 91 THR N N 113.996 0.1 1 346 762 92 TYR H H 7.6430 0.03 1 347 762 92 TYR C C 177.468 0.2 1 348 762 92 TYR CA C 59.647 0.25 1 349 762 92 TYR CB C 37.363 0.35 1 350 762 92 TYR N N 121.312 0.1 1 351 763 93 LYS H H 7.8850 0.03 1 352 763 93 LYS C C 178.366 0.2 1 353 763 93 LYS CA C 57.969 0.25 1 354 763 93 LYS CB C 31.201 0.35 1 355 763 93 LYS N N 120.060 0.1 1 356 764 94 PHE H H 7.7800 0.03 1 357 764 94 PHE C C 177.096 0.2 1 358 764 94 PHE CA C 60.386 0.25 1 359 764 94 PHE CB C 38.541 0.35 1 360 764 94 PHE N N 119.591 0.1 1 361 765 95 PHE H H 7.6900 0.03 1 362 765 95 PHE C C 178.522 0.2 1 363 765 95 PHE CA C 60.390 0.25 1 364 765 95 PHE CB C 37.951 0.35 1 365 765 95 PHE N N 117.769 0.1 1 366 766 96 GLU H H 8.0410 0.03 1 367 766 96 GLU C C 178.554 0.2 1 368 766 96 GLU CA C 58.604 0.25 1 369 766 96 GLU CB C 28.789 0.35 1 370 766 96 GLU N N 119.586 0.1 1 371 767 97 GLN H H 7.7220 0.03 1 372 767 97 GLN C C 177.965 0.2 1 373 767 97 GLN CA C 57.203 0.25 1 374 767 97 GLN CB C 27.744 0.35 1 375 767 97 GLN N N 117.532 0.1 1 376 768 98 MET H H 7.6290 0.03 1 377 768 98 MET C C 177.208 0.2 1 378 768 98 MET CA C 56.641 0.25 1 379 768 98 MET CB C 32.015 0.35 1 380 768 98 MET N N 118.321 0.1 1 381 769 99 GLN H H 7.7010 0.03 1 382 769 99 GLN C C 176.728 0.2 1 383 769 99 GLN CA C 57.110 0.25 1 384 769 99 GLN CB C 28.248 0.35 1 385 769 99 GLN N N 117.753 0.1 1 386 770 100 ASN H H 7.8190 0.03 1 387 770 100 ASN C C 175.919 0.2 1 388 770 100 ASN CA C 53.649 0.25 1 389 770 100 ASN CB C 38.319 0.35 1 390 770 100 ASN N N 117.421 0.1 1 391 771 101 GLN H H 7.9430 0.03 1 392 771 101 GLN C C 176.856 0.2 1 393 771 101 GLN CA C 56.066 0.25 1 394 771 101 GLN CB C 27.909 0.35 1 395 771 101 GLN N N 119.530 0.1 1 396 772 102 GLY H H 8.1370 0.03 1 397 772 102 GLY C C 175.600 0.2 1 398 772 102 GLY CA C 46.416 0.25 1 399 772 102 GLY N N 108.546 0.1 1 400 773 103 ARG H H 8.0150 0.03 1 401 773 103 ARG C C 178.012 0.2 1 402 773 103 ARG CA C 57.683 0.25 1 403 773 103 ARG CB C 29.278 0.35 1 404 773 103 ARG N N 120.694 0.1 1 405 774 104 ILE H H 7.7670 0.03 1 406 774 104 ILE C C 178.196 0.2 1 407 774 104 ILE CA C 63.577 0.25 1 408 774 104 ILE CB C 36.283 0.35 1 409 774 104 ILE N N 118.416 0.1 1 410 775 105 LEU H H 7.8650 0.03 1 411 775 105 LEU C C 178.342 0.2 1 412 775 105 LEU CA C 57.485 0.25 1 413 775 105 LEU CB C 40.275 0.35 1 414 775 105 LEU N N 122.271 0.1 1 415 776 106 GLN H H 7.7930 0.03 1 416 776 106 GLN C C 179.174 0.2 1 417 776 106 GLN CA C 58.594 0.25 1 418 776 106 GLN CB C 27.656 0.35 1 419 776 106 GLN N N 118.066 0.1 1 420 777 107 ILE H H 8.1050 0.03 1 421 777 107 ILE C C 177.468 0.2 1 422 777 107 ILE CA C 64.613 0.25 1 423 777 107 ILE CB C 37.334 0.35 1 424 777 107 ILE N N 120.284 0.1 1 425 778 108 SER H H 7.9870 0.03 1 426 778 108 SER C C 175.673 0.2 1 427 778 108 SER CA C 62.827 0.25 1 428 778 108 SER N N 117.096 0.1 1 429 779 109 ILE H H 7.9290 0.03 1 430 779 109 ILE C C 178.253 0.2 1 431 779 109 ILE CA C 64.322 0.25 1 432 779 109 ILE CB C 36.742 0.35 1 433 779 109 ILE N N 121.832 0.1 1 434 780 110 THR H H 7.7150 0.03 1 435 780 110 THR C C 176.834 0.2 1 436 780 110 THR CA C 66.285 0.25 1 437 780 110 THR CB C 68.076 0.35 1 438 780 110 THR N N 118.250 0.1 1 439 781 111 LEU H H 8.2100 0.03 1 440 781 111 LEU C C 178.164 0.2 1 441 781 111 LEU CA C 57.573 0.25 1 442 781 111 LEU CB C 40.786 0.35 1 443 781 111 LEU N N 122.404 0.1 1 444 782 112 ALA H H 8.1190 0.03 1 445 782 112 ALA C C 179.617 0.2 1 446 782 112 ALA CA C 55.042 0.25 1 447 782 112 ALA CB C 17.536 0.35 1 448 782 112 ALA N N 120.878 0.1 1 449 783 113 ALA H H 7.9490 0.03 1 450 783 113 ALA C C 180.058 0.2 1 451 783 113 ALA CA C 54.203 0.25 1 452 783 113 ALA CB C 17.168 0.35 1 453 783 113 ALA N N 119.564 0.1 1 454 784 114 ALA H H 7.7860 0.03 1 455 784 114 ALA C C 180.166 0.2 1 456 784 114 ALA CA C 54.781 0.25 1 457 784 114 ALA CB C 17.536 0.35 1 458 784 114 ALA N N 121.226 0.1 1 459 785 115 LEU H H 7.9170 0.03 1 460 785 115 LEU C C 178.768 0.2 1 461 785 115 LEU CA C 57.018 0.25 1 462 785 115 LEU CB C 40.585 0.35 1 463 785 115 LEU N N 118.399 0.1 1 464 786 116 GLU H H 7.8850 0.03 1 465 786 116 GLU C C 177.959 0.2 1 466 786 116 GLU CA C 58.058 0.25 1 467 786 116 GLU CB C 28.294 0.35 1 468 786 116 GLU N N 119.043 0.1 1 469 787 117 HIS H H 7.9620 0.03 1 470 787 117 HIS C C 175.625 0.2 1 471 787 117 HIS CA C 56.453 0.25 1 472 787 117 HIS CB C 27.957 0.35 1 473 787 117 HIS N N 116.253 0.1 1 474 788 118 HIS H H 7.8900 0.03 1 475 788 118 HIS C C 176.170 0.2 1 476 788 118 HIS CA C 56.457 0.25 1 477 788 118 HIS CB C 28.619 0.35 1 478 788 118 HIS N N 117.326 0.1 1 479 789 119 HIS H H 8.1060 0.03 1 480 789 119 HIS CA C 57.109 0.25 1 481 789 119 HIS CB C 31.667 0.35 1 482 789 119 HIS N N 120.928 0.1 1 stop_ save_