data_25871 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Apo form of Calmodulin-Like Domain of Human Non-Muscle alpha-actinin 1 ; _BMRB_accession_number 25871 _BMRB_flat_file_name bmr25871.str _Entry_type original _Submission_date 2016-06-27 _Accession_date 2016-06-27 _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 'Drmota Prebil' Sara . . 2 Slapsak Urska . . 3 'de Almeida Ribeiro' Euripedes . . 4 Pavsic Miha . . 5 Ilc Gregor . . 6 Zielinska Karolina . . 7 Hartl Markus . . 8 Backman Lars . . 9 Plavec Janez . . 10 Lenarcic Brigita . . 11 Djinovic-Carugo Kristina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 852 "13C chemical shifts" 504 "15N chemical shifts" 152 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-06-27 original BMRB . stop_ _Original_release_date 2016-06-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure and calcium-binding studies of calmodulin-like domain of human non-muscle alpha-actinin-1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27272015 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Drmota Prebil' Sara . . 2 Slapsak Urska . . 3 'de Almeida Ribeiro' Euripedes . . 4 Pavsic Miha . . 5 Ilc Gregor . . 6 Zielinska Karolina . . 7 Hartl Markus . . 8 Backman Lars . . 9 Plavec Janez . . 10 Lenarcic Brigita . . 11 Djinovic-Carugo Kristina . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 6 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 27383 _Page_last 27383 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Apo form of Calmodulin-Like Domain of Human Non-Muscle alpha-actinin 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Calmodulin-Like Domain of alpha-actinin 1' $Calmodulin-Like_Domain_of_alpha-actinin_1 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_Calmodulin-Like_Domain_of_alpha-actinin_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Calmodulin-Like_Domain_of_alpha-actinin_1 _Molecular_mass 16986.877 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 153 _Mol_residue_sequence ; GSSISQEQMNEFRASFNHFD RDHSGTLGPEEFKACLISLG YDIGNDPQGEAEFARIMSIV DPNRLGVVTFQAFIDFMSRE TADTDTADQVMASFKILAGD KNYITMDELRRELPPDQAEY CIARMAPYTGPDSVPGALDY MSFSTALYGESDL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 740 GLY 2 741 SER 3 742 SER 4 743 ILE 5 744 SER 6 745 GLN 7 746 GLU 8 747 GLN 9 748 MET 10 749 ASN 11 750 GLU 12 751 PHE 13 752 ARG 14 753 ALA 15 754 SER 16 755 PHE 17 756 ASN 18 757 HIS 19 758 PHE 20 759 ASP 21 760 ARG 22 761 ASP 23 762 HIS 24 763 SER 25 764 GLY 26 765 THR 27 766 LEU 28 767 GLY 29 768 PRO 30 769 GLU 31 770 GLU 32 771 PHE 33 772 LYS 34 773 ALA 35 774 CYS 36 775 LEU 37 776 ILE 38 777 SER 39 778 LEU 40 779 GLY 41 780 TYR 42 781 ASP 43 782 ILE 44 783 GLY 45 784 ASN 46 785 ASP 47 786 PRO 48 787 GLN 49 788 GLY 50 789 GLU 51 790 ALA 52 791 GLU 53 792 PHE 54 793 ALA 55 794 ARG 56 795 ILE 57 796 MET 58 797 SER 59 798 ILE 60 799 VAL 61 800 ASP 62 801 PRO 63 802 ASN 64 803 ARG 65 804 LEU 66 805 GLY 67 806 VAL 68 807 VAL 69 808 THR 70 809 PHE 71 810 GLN 72 811 ALA 73 812 PHE 74 813 ILE 75 814 ASP 76 815 PHE 77 816 MET 78 817 SER 79 818 ARG 80 819 GLU 81 820 THR 82 821 ALA 83 822 ASP 84 823 THR 85 824 ASP 86 825 THR 87 826 ALA 88 827 ASP 89 828 GLN 90 829 VAL 91 830 MET 92 831 ALA 93 832 SER 94 833 PHE 95 834 LYS 96 835 ILE 97 836 LEU 98 837 ALA 99 838 GLY 100 839 ASP 101 840 LYS 102 841 ASN 103 842 TYR 104 843 ILE 105 844 THR 106 845 MET 107 846 ASP 108 847 GLU 109 848 LEU 110 849 ARG 111 850 ARG 112 851 GLU 113 852 LEU 114 853 PRO 115 854 PRO 116 855 ASP 117 856 GLN 118 857 ALA 119 858 GLU 120 859 TYR 121 860 CYS 122 861 ILE 123 862 ALA 124 863 ARG 125 864 MET 126 865 ALA 127 866 PRO 128 867 TYR 129 868 THR 130 869 GLY 131 870 PRO 132 871 ASP 133 872 SER 134 873 VAL 135 874 PRO 136 875 GLY 137 876 ALA 138 877 LEU 139 878 ASP 140 879 TYR 141 880 MET 142 881 SER 143 882 PHE 144 883 SER 145 884 THR 146 885 ALA 147 886 LEU 148 887 TYR 149 888 GLY 150 889 GLU 151 890 SER 152 891 ASP 153 892 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $Calmodulin-Like_Domain_of_alpha-actinin_1 humans 9606 Eukaryota Metazoa Homo sapiens ACTN1 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 $Calmodulin-Like_Domain_of_alpha-actinin_1 'recombinant technology' . Escherichia coli 'BL21(DE3) pLysS' pET-3d stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Calmodulin-Like_Domain_of_alpha-actinin_1 1 mM '[U-100% 13C; U-100% 15N]' HEPES 20 mM 'natural abundance' 'Sodium chloride' 100 mM 'natural abundance' DTT 1.5 mM 'natural abundance' EGTA 0.05 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version + loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'Prediction of Protein Backbone Torsion Angles' stop_ _Details . save_ save_YASARA _Saveframe_category software _Name YASARA _Version . loop_ _Vendor _Address _Electronic_address 'Krieger, Koraimann, Vriend' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 800 _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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _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' 0.1 . M pH 7.6 . pH pressure 1 . atm temperature 298 . 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 carbon' ppm 0 external direct . . . 1 DSS H 1 'methyl protons' ppm 0 external direct . . . 1 'ammonium hydroxide' N 15 nitrogen ppm 0 external direct . . . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' 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 'Calmodulin-Like Domain of alpha-actinin 1' _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 1 743 4 ILE H H 8.122 0.020 1 2 743 4 ILE HA H 4.356 0.020 1 3 743 4 ILE HB H 1.837 0.020 1 4 743 4 ILE HG12 H 1.533 0.020 2 5 743 4 ILE HG13 H 1.211 0.020 2 6 743 4 ILE HG2 H 1.004 0.020 1 7 743 4 ILE HD1 H 0.857 0.020 1 8 743 4 ILE CA C 60.624 0.400 1 9 743 4 ILE CB C 39.023 0.400 1 10 743 4 ILE CG1 C 27.005 0.400 1 11 743 4 ILE CG2 C 17.917 0.400 1 12 743 4 ILE CD1 C 13.323 0.400 1 13 743 4 ILE N N 122.085 0.400 1 14 744 5 SER H H 8.844 0.020 1 15 744 5 SER HA H 4.472 0.020 1 16 744 5 SER HB2 H 4.380 0.020 2 17 744 5 SER HB3 H 4.054 0.020 2 18 744 5 SER CA C 57.581 0.400 1 19 744 5 SER CB C 65.276 0.400 1 20 744 5 SER N N 123.378 0.400 1 21 745 6 GLN H H 9.035 0.020 1 22 745 6 GLN HA H 3.978 0.020 1 23 745 6 GLN HB2 H 2.160 0.020 2 24 745 6 GLN HB3 H 2.036 0.020 2 25 745 6 GLN HG2 H 2.415 0.020 2 26 745 6 GLN HG3 H 2.406 0.020 2 27 745 6 GLN HE21 H 7.553 0.020 2 28 745 6 GLN HE22 H 6.942 0.020 2 29 745 6 GLN CA C 58.887 0.400 1 30 745 6 GLN CB C 28.526 0.400 1 31 745 6 GLN CG C 33.965 0.400 1 32 745 6 GLN N N 121.612 0.400 1 33 745 6 GLN NE2 N 113.467 0.400 1 34 746 7 GLU H H 8.718 0.020 1 35 746 7 GLU HA H 4.034 0.020 1 36 746 7 GLU HB2 H 2.023 0.020 2 37 746 7 GLU HB3 H 1.941 0.020 2 38 746 7 GLU HG2 H 2.392 0.020 2 39 746 7 GLU HG3 H 2.274 0.020 2 40 746 7 GLU CA C 60.297 0.400 1 41 746 7 GLU CB C 28.944 0.400 1 42 746 7 GLU CG C 36.974 0.400 1 43 746 7 GLU N N 118.618 0.400 1 44 747 8 GLN H H 7.821 0.020 1 45 747 8 GLN HA H 3.824 0.020 1 46 747 8 GLN HB2 H 1.614 0.020 2 47 747 8 GLN HB3 H 2.078 0.020 2 48 747 8 GLN HG2 H 2.065 0.020 2 49 747 8 GLN HG3 H 2.055 0.020 2 50 747 8 GLN HE21 H 7.217 0.020 2 51 747 8 GLN HE22 H 6.952 0.020 2 52 747 8 GLN CA C 58.504 0.400 1 53 747 8 GLN CB C 28.955 0.400 1 54 747 8 GLN CG C 34.873 0.400 1 55 747 8 GLN N N 120.436 0.400 1 56 747 8 GLN NE2 N 112.925 0.400 1 57 748 9 MET H H 8.477 0.020 1 58 748 9 MET HA H 4.228 0.020 1 59 748 9 MET HB2 H 2.218 0.020 2 60 748 9 MET HB3 H 2.204 0.020 2 61 748 9 MET HG2 H 2.700 0.020 2 62 748 9 MET HG3 H 2.654 0.020 2 63 748 9 MET HE H 2.143 0.020 1 64 748 9 MET CA C 58.305 0.400 1 65 748 9 MET CB C 30.922 0.400 1 66 748 9 MET CG C 32.425 0.400 1 67 748 9 MET CE C 17.082 0.400 1 68 748 9 MET N N 119.174 0.400 1 69 749 10 ASN H H 8.302 0.020 1 70 749 10 ASN HA H 4.505 0.020 1 71 749 10 ASN HB2 H 3.027 0.020 2 72 749 10 ASN HB3 H 2.893 0.020 2 73 749 10 ASN HD21 H 7.748 0.020 2 74 749 10 ASN HD22 H 7.003 0.020 2 75 749 10 ASN CA C 55.962 0.400 1 76 749 10 ASN CB C 37.905 0.400 1 77 749 10 ASN N N 117.610 0.400 1 78 749 10 ASN ND2 N 112.139 0.400 1 79 750 11 GLU H H 7.789 0.020 1 80 750 11 GLU HA H 4.246 0.020 1 81 750 11 GLU HB2 H 2.073 0.020 2 82 750 11 GLU HB3 H 2.086 0.020 2 83 750 11 GLU HG2 H 2.397 0.020 2 84 750 11 GLU HG3 H 2.253 0.020 2 85 750 11 GLU CA C 59.525 0.400 1 86 750 11 GLU CB C 29.409 0.400 1 87 750 11 GLU CG C 36.173 0.400 1 88 750 11 GLU N N 122.737 0.400 1 89 751 12 PHE H H 8.772 0.020 1 90 751 12 PHE HA H 4.978 0.020 1 91 751 12 PHE HB2 H 3.455 0.020 2 92 751 12 PHE HB3 H 3.500 0.020 2 93 751 12 PHE HD1 H 7.179 0.020 1 94 751 12 PHE HD2 H 7.179 0.020 1 95 751 12 PHE HE2 H 7.305 0.020 1 96 751 12 PHE HZ H 7.427 0.020 1 97 751 12 PHE CA C 58.643 0.400 1 98 751 12 PHE CB C 37.478 0.400 1 99 751 12 PHE CD1 C 129.902 0.400 1 100 751 12 PHE CD2 C 129.902 0.400 1 101 751 12 PHE CE2 C 131.598 0.400 1 102 751 12 PHE CZ C 131.523 0.400 1 103 751 12 PHE N N 120.358 0.400 1 104 752 13 ARG H H 8.990 0.020 1 105 752 13 ARG HA H 4.147 0.020 1 106 752 13 ARG HB2 H 2.063 0.020 2 107 752 13 ARG HB3 H 2.082 0.020 2 108 752 13 ARG HG2 H 1.623 0.020 2 109 752 13 ARG HG3 H 1.577 0.020 2 110 752 13 ARG HD2 H 3.076 0.020 2 111 752 13 ARG HD3 H 3.066 0.020 2 112 752 13 ARG CA C 56.801 0.400 1 113 752 13 ARG CB C 30.362 0.400 1 114 752 13 ARG CG C 27.227 0.400 1 115 752 13 ARG CD C 43.135 0.400 1 116 752 13 ARG N N 120.173 0.400 1 117 753 14 ALA H H 8.136 0.020 1 118 753 14 ALA HA H 4.255 0.020 1 119 753 14 ALA HB H 1.623 0.020 1 120 753 14 ALA CA C 55.425 0.400 1 121 753 14 ALA CB C 18.012 0.400 1 122 753 14 ALA N N 120.965 0.400 1 123 754 15 SER H H 8.366 0.020 1 124 754 15 SER HA H 4.451 0.020 1 125 754 15 SER HB2 H 4.243 0.020 2 126 754 15 SER HB3 H 4.217 0.020 2 127 754 15 SER CA C 63.045 0.400 1 128 754 15 SER CB C 63.111 0.400 1 129 754 15 SER N N 115.350 0.400 1 130 755 16 PHE H H 8.498 0.020 1 131 755 16 PHE HA H 3.986 0.020 1 132 755 16 PHE HB2 H 3.026 0.020 2 133 755 16 PHE HB3 H 3.351 0.020 2 134 755 16 PHE HD1 H 6.939 0.020 1 135 755 16 PHE HD2 H 6.939 0.020 1 136 755 16 PHE HE1 H 6.438 0.020 1 137 755 16 PHE HE2 H 6.438 0.020 1 138 755 16 PHE HZ H 6.844 0.020 1 139 755 16 PHE CA C 62.353 0.400 1 140 755 16 PHE CB C 40.165 0.400 1 141 755 16 PHE CD1 C 130.707 0.400 1 142 755 16 PHE CD2 C 130.711 0.400 1 143 755 16 PHE CE1 C 131.846 0.400 1 144 755 16 PHE CE2 C 131.846 0.400 1 145 755 16 PHE CZ C 131.347 0.400 1 146 755 16 PHE N N 121.902 0.400 1 147 756 17 ASN H H 8.722 0.020 1 148 756 17 ASN HA H 4.530 0.020 1 149 756 17 ASN HB2 H 3.025 0.020 2 150 756 17 ASN HB3 H 2.910 0.020 2 151 756 17 ASN HD21 H 7.633 0.020 2 152 756 17 ASN HD22 H 6.812 0.020 2 153 756 17 ASN CA C 55.804 0.400 1 154 756 17 ASN CB C 37.933 0.400 1 155 756 17 ASN N N 114.071 0.400 1 156 756 17 ASN ND2 N 110.638 0.400 1 157 757 18 HIS H H 8.027 0.020 1 158 757 18 HIS HA H 4.122 0.020 1 159 757 18 HIS HB2 H 3.156 0.020 1 160 757 18 HIS HB3 H 3.156 0.020 1 161 757 18 HIS HE1 H 7.660 0.020 1 162 757 18 HIS CA C 59.470 0.400 1 163 757 18 HIS CB C 30.047 0.400 1 164 757 18 HIS CE1 C 138.375 0.400 1 165 757 18 HIS N N 119.524 0.400 1 166 758 19 PHE H H 7.322 0.020 1 167 758 19 PHE HA H 4.107 0.020 1 168 758 19 PHE HB2 H 2.522 0.020 2 169 758 19 PHE HB3 H 3.184 0.020 2 170 758 19 PHE HD1 H 7.660 0.020 1 171 758 19 PHE HD2 H 7.660 0.020 1 172 758 19 PHE HE1 H 7.660 0.020 1 173 758 19 PHE HE2 H 7.660 0.020 1 174 758 19 PHE HZ H 7.473 0.020 1 175 758 19 PHE CA C 60.068 0.400 1 176 758 19 PHE CB C 39.988 0.400 1 177 758 19 PHE CD1 C 132.196 0.400 1 178 758 19 PHE CD2 C 132.196 0.400 1 179 758 19 PHE CE1 C 132.437 0.400 1 180 758 19 PHE CE2 C 132.437 0.400 1 181 758 19 PHE CZ C 131.970 0.400 1 182 758 19 PHE N N 113.439 0.400 1 183 759 20 ASP H H 7.439 0.020 1 184 759 20 ASP HA H 4.616 0.020 1 185 759 20 ASP HB2 H 2.887 0.020 2 186 759 20 ASP HB3 H 2.187 0.020 2 187 759 20 ASP CA C 52.608 0.400 1 188 759 20 ASP CB C 38.681 0.400 1 189 759 20 ASP N N 121.632 0.400 1 190 760 21 ARG H H 7.797 0.020 1 191 760 21 ARG HA H 3.825 0.020 1 192 760 21 ARG HB2 H 1.789 0.020 2 193 760 21 ARG HB3 H 1.799 0.020 2 194 760 21 ARG HG2 H 1.652 0.020 2 195 760 21 ARG HG3 H 1.628 0.020 2 196 760 21 ARG HD2 H 3.170 0.020 2 197 760 21 ARG HD3 H 3.160 0.020 2 198 760 21 ARG CA C 58.631 0.400 1 199 760 21 ARG CB C 30.073 0.400 1 200 760 21 ARG CG C 27.381 0.400 1 201 760 21 ARG CD C 43.193 0.400 1 202 760 21 ARG N N 123.429 0.400 1 203 761 22 ASP H H 8.470 0.020 1 204 761 22 ASP HA H 4.481 0.020 1 205 761 22 ASP HB2 H 2.545 0.020 2 206 761 22 ASP HB3 H 2.859 0.020 2 207 761 22 ASP CA C 52.478 0.400 1 208 761 22 ASP CB C 39.500 0.400 1 209 761 22 ASP N N 115.027 0.400 1 210 762 23 HIS H H 7.716 0.020 1 211 762 23 HIS HA H 4.237 0.020 1 212 762 23 HIS HB2 H 3.335 0.020 2 213 762 23 HIS HB3 H 3.273 0.020 2 214 762 23 HIS HD2 H 7.107 0.020 1 215 762 23 HIS HE1 H 8.176 0.020 1 216 762 23 HIS CA C 56.493 0.400 1 217 762 23 HIS CB C 26.581 0.400 1 218 762 23 HIS CD2 C 120.588 0.400 1 219 762 23 HIS CE1 C 137.121 0.400 1 220 762 23 HIS N N 117.442 0.400 1 221 763 24 SER H H 9.708 0.020 1 222 763 24 SER HA H 4.441 0.020 1 223 763 24 SER HB2 H 4.146 0.020 2 224 763 24 SER HB3 H 3.749 0.020 2 225 763 24 SER CA C 59.706 0.400 1 226 763 24 SER CB C 65.228 0.400 1 227 763 24 SER N N 117.624 0.400 1 228 764 25 GLY H H 11.185 0.020 1 229 764 25 GLY HA2 H 3.812 0.020 2 230 764 25 GLY HA3 H 4.398 0.020 2 231 764 25 GLY CA C 45.759 0.400 1 232 764 25 GLY N N 117.320 0.400 1 233 765 26 THR H H 7.972 0.020 1 234 765 26 THR HA H 5.197 0.020 1 235 765 26 THR HB H 3.920 0.020 1 236 765 26 THR HG2 H 1.097 0.020 1 237 765 26 THR CA C 59.125 0.400 1 238 765 26 THR CB C 73.022 0.400 1 239 765 26 THR CG2 C 22.199 0.400 1 240 765 26 THR N N 110.392 0.400 1 241 766 27 LEU H H 8.589 0.020 1 242 766 27 LEU HA H 4.824 0.020 1 243 766 27 LEU HB2 H 1.470 0.020 2 244 766 27 LEU HB3 H 1.363 0.020 2 245 766 27 LEU HG H 0.335 0.020 1 246 766 27 LEU HD1 H 0.362 0.020 2 247 766 27 LEU HD2 H 0.786 0.020 2 248 766 27 LEU CA C 52.752 0.400 1 249 766 27 LEU CB C 45.213 0.400 1 250 766 27 LEU CG C 26.150 0.400 1 251 766 27 LEU CD1 C 21.655 0.400 1 252 766 27 LEU CD2 C 25.894 0.400 1 253 766 27 LEU N N 117.658 0.400 1 254 767 28 GLY H H 8.601 0.020 1 255 767 28 GLY HA2 H 4.697 0.020 2 256 767 28 GLY HA3 H 3.970 0.020 2 257 767 28 GLY CA C 43.936 0.400 1 258 767 28 GLY N N 108.644 0.400 1 259 768 29 PRO HA H 4.281 0.020 1 260 768 29 PRO HB2 H 2.571 0.020 2 261 768 29 PRO HB3 H 2.207 0.020 2 262 768 29 PRO HG2 H 2.311 0.020 2 263 768 29 PRO HG3 H 1.841 0.020 2 264 768 29 PRO HD2 H 3.777 0.020 2 265 768 29 PRO HD3 H 3.968 0.020 2 266 768 29 PRO CA C 66.873 0.400 1 267 768 29 PRO CB C 32.191 0.400 1 268 768 29 PRO CG C 28.489 0.400 1 269 768 29 PRO CD C 49.066 0.400 1 270 769 30 GLU H H 8.649 0.020 1 271 769 30 GLU HA H 3.932 0.020 1 272 769 30 GLU HB2 H 2.036 0.020 2 273 769 30 GLU HB3 H 2.011 0.020 2 274 769 30 GLU HG2 H 2.325 0.020 2 275 769 30 GLU HG3 H 2.321 0.020 2 276 769 30 GLU CA C 59.773 0.400 1 277 769 30 GLU CB C 28.828 0.400 1 278 769 30 GLU CG C 36.616 0.400 1 279 769 30 GLU N N 115.170 0.400 1 280 770 31 GLU H H 7.846 0.020 1 281 770 31 GLU HA H 4.113 0.020 1 282 770 31 GLU HB2 H 2.357 0.020 2 283 770 31 GLU HB3 H 2.152 0.020 2 284 770 31 GLU HG2 H 2.680 0.020 2 285 770 31 GLU HG3 H 2.410 0.020 2 286 770 31 GLU CA C 59.618 0.400 1 287 770 31 GLU CB C 30.303 0.400 1 288 770 31 GLU CG C 37.276 0.400 1 289 770 31 GLU N N 121.294 0.400 1 290 771 32 PHE H H 8.876 0.020 1 291 771 32 PHE HA H 4.242 0.020 1 292 771 32 PHE HB2 H 3.095 0.020 2 293 771 32 PHE HB3 H 2.972 0.020 2 294 771 32 PHE HD1 H 6.948 0.020 1 295 771 32 PHE HD2 H 6.948 0.020 1 296 771 32 PHE HE1 H 6.626 0.020 1 297 771 32 PHE HE2 H 6.626 0.020 1 298 771 32 PHE HZ H 7.212 0.020 1 299 771 32 PHE CA C 59.104 0.400 1 300 771 32 PHE CB C 38.726 0.400 1 301 771 32 PHE CD1 C 131.079 0.400 1 302 771 32 PHE CD2 C 131.079 0.400 1 303 771 32 PHE CE1 C 128.935 0.400 1 304 771 32 PHE CE2 C 128.935 0.400 1 305 771 32 PHE CZ C 131.492 0.400 1 306 771 32 PHE N N 119.292 0.400 1 307 772 33 LYS H H 8.404 0.020 1 308 772 33 LYS HA H 3.176 0.020 1 309 772 33 LYS HB2 H 1.206 0.020 2 310 772 33 LYS HB3 H 1.460 0.020 2 311 772 33 LYS HG2 H 1.009 0.020 2 312 772 33 LYS HG3 H 0.498 0.020 2 313 772 33 LYS HD2 H 1.078 0.020 2 314 772 33 LYS HD3 H 1.178 0.020 2 315 772 33 LYS HE2 H 2.085 0.020 1 316 772 33 LYS HE3 H 2.085 0.020 1 317 772 33 LYS CA C 60.485 0.400 1 318 772 33 LYS CB C 31.684 0.400 1 319 772 33 LYS CG C 24.480 0.400 1 320 772 33 LYS CD C 29.106 0.400 1 321 772 33 LYS CE C 40.997 0.400 1 322 772 33 LYS N N 120.139 0.400 1 323 773 34 ALA H H 7.180 0.020 1 324 773 34 ALA HA H 3.792 0.020 1 325 773 34 ALA HB H 1.322 0.020 1 326 773 34 ALA CA C 54.967 0.400 1 327 773 34 ALA CB C 17.946 0.400 1 328 773 34 ALA N N 118.856 0.400 1 329 774 35 CYS H H 7.731 0.020 1 330 774 35 CYS HA H 3.186 0.020 1 331 774 35 CYS HB2 H 2.219 0.020 2 332 774 35 CYS HB3 H 2.850 0.020 2 333 774 35 CYS CA C 61.579 0.400 1 334 774 35 CYS CB C 26.030 0.400 1 335 774 35 CYS N N 121.600 0.400 1 336 775 36 LEU H H 8.353 0.020 1 337 775 36 LEU HA H 3.839 0.020 1 338 775 36 LEU HB2 H 1.659 0.020 2 339 775 36 LEU HB3 H 0.892 0.020 2 340 775 36 LEU HG H 0.719 0.020 1 341 775 36 LEU HD1 H 0.070 0.020 2 342 775 36 LEU HD2 H 0.252 0.020 2 343 775 36 LEU CA C 58.349 0.400 1 344 775 36 LEU CB C 40.528 0.400 1 345 775 36 LEU CG C 25.674 0.400 1 346 775 36 LEU CD1 C 26.284 0.400 1 347 775 36 LEU CD2 C 21.620 0.400 1 348 775 36 LEU N N 120.029 0.400 1 349 776 37 ILE H H 8.405 0.020 1 350 776 37 ILE HA H 4.229 0.020 1 351 776 37 ILE HB H 1.775 0.020 1 352 776 37 ILE HG12 H 1.118 0.020 2 353 776 37 ILE HG13 H 1.670 0.020 2 354 776 37 ILE HG2 H 0.947 0.020 1 355 776 37 ILE HD1 H 0.775 0.020 1 356 776 37 ILE CA C 65.523 0.400 1 357 776 37 ILE CB C 38.261 0.400 1 358 776 37 ILE CG1 C 30.027 0.400 1 359 776 37 ILE CG2 C 16.902 0.400 1 360 776 37 ILE CD1 C 13.781 0.400 1 361 776 37 ILE N N 121.900 0.400 1 362 777 38 SER H H 8.144 0.020 1 363 777 38 SER HA H 4.435 0.020 1 364 777 38 SER HB2 H 4.218 0.020 2 365 777 38 SER HB3 H 4.238 0.020 2 366 777 38 SER CA C 61.843 0.400 1 367 777 38 SER CB C 62.953 0.400 1 368 777 38 SER N N 119.490 0.400 1 369 778 39 LEU H H 7.644 0.020 1 370 778 39 LEU HA H 4.642 0.020 1 371 778 39 LEU HB2 H 2.157 0.020 2 372 778 39 LEU HB3 H 2.073 0.020 2 373 778 39 LEU HG H 1.249 0.020 1 374 778 39 LEU HD1 H 2.124 0.020 2 375 778 39 LEU HD2 H 1.224 0.020 2 376 778 39 LEU CA C 55.077 0.400 1 377 778 39 LEU CB C 42.620 0.400 1 378 778 39 LEU CG C 27.284 0.400 1 379 778 39 LEU CD1 C 26.643 0.400 1 380 778 39 LEU CD2 C 22.866 0.400 1 381 778 39 LEU N N 122.142 0.400 1 382 779 40 GLY H H 7.982 0.020 1 383 779 40 GLY HA2 H 3.720 0.020 2 384 779 40 GLY HA3 H 3.808 0.020 2 385 779 40 GLY CA C 45.150 0.400 1 386 779 40 GLY N N 106.613 0.400 1 387 780 41 TYR H H 8.174 0.020 1 388 780 41 TYR HA H 4.165 0.020 1 389 780 41 TYR HB2 H 2.615 0.020 2 390 780 41 TYR HB3 H 2.564 0.020 2 391 780 41 TYR HD1 H 7.241 0.020 1 392 780 41 TYR HD2 H 7.241 0.020 1 393 780 41 TYR HE1 H 6.776 0.020 1 394 780 41 TYR HE2 H 6.776 0.020 1 395 780 41 TYR CA C 59.373 0.400 1 396 780 41 TYR CB C 38.394 0.400 1 397 780 41 TYR CD1 C 133.263 0.400 1 398 780 41 TYR CD2 C 133.263 0.400 1 399 780 41 TYR CE1 C 117.872 0.400 1 400 780 41 TYR CE2 C 117.872 0.400 1 401 780 41 TYR N N 121.620 0.400 1 402 781 42 ASP H H 8.650 0.020 1 403 781 42 ASP HA H 4.689 0.020 1 404 781 42 ASP HB2 H 2.795 0.020 2 405 781 42 ASP HB3 H 2.508 0.020 2 406 781 42 ASP CA C 53.565 0.400 1 407 781 42 ASP CB C 40.115 0.400 1 408 781 42 ASP N N 124.225 0.400 1 409 782 43 ILE H H 7.300 0.020 1 410 782 43 ILE HA H 4.249 0.020 1 411 782 43 ILE HB H 1.693 0.020 1 412 782 43 ILE HG12 H 1.058 0.020 2 413 782 43 ILE HG13 H 1.357 0.020 2 414 782 43 ILE HG2 H 0.811 0.020 1 415 782 43 ILE HD1 H 0.775 0.020 1 416 782 43 ILE CA C 59.490 0.400 1 417 782 43 ILE CB C 38.425 0.400 1 418 782 43 ILE CG1 C 26.886 0.400 1 419 782 43 ILE CG2 C 18.346 0.400 1 420 782 43 ILE CD1 C 13.858 0.400 1 421 782 43 ILE N N 123.492 0.400 1 422 783 44 GLY H H 8.345 0.020 1 423 783 44 GLY HA2 H 3.743 0.020 2 424 783 44 GLY HA3 H 4.151 0.020 2 425 783 44 GLY CA C 44.630 0.400 1 426 783 44 GLY N N 113.404 0.400 1 427 784 45 ASN H H 8.476 0.020 1 428 784 45 ASN HA H 4.928 0.020 1 429 784 45 ASN HB2 H 2.868 0.020 2 430 784 45 ASN HB3 H 2.678 0.020 2 431 784 45 ASN HD21 H 7.602 0.020 2 432 784 45 ASN HD22 H 6.859 0.020 2 433 784 45 ASN CA C 52.055 0.400 1 434 784 45 ASN CB C 37.467 0.400 1 435 784 45 ASN N N 119.115 0.400 1 436 784 45 ASN ND2 N 112.783 0.400 1 437 785 46 ASP H H 8.081 0.020 1 438 785 46 ASP HA H 4.820 0.020 1 439 785 46 ASP HB2 H 3.024 0.020 2 440 785 46 ASP HB3 H 2.783 0.020 2 441 785 46 ASP CA C 52.365 0.400 1 442 785 46 ASP CB C 39.736 0.400 1 443 785 46 ASP N N 119.675 0.400 1 444 786 47 PRO HA H 4.306 0.020 1 445 786 47 PRO HB2 H 1.900 0.020 2 446 786 47 PRO HB3 H 2.426 0.020 2 447 786 47 PRO HG2 H 2.188 0.020 2 448 786 47 PRO HG3 H 1.951 0.020 2 449 786 47 PRO HD2 H 3.827 0.020 2 450 786 47 PRO HD3 H 3.824 0.020 2 451 786 47 PRO CA C 66.213 0.400 1 452 786 47 PRO CB C 31.980 0.400 1 453 786 47 PRO CG C 28.440 0.400 1 454 786 47 PRO CD C 50.650 0.400 1 455 787 48 GLN H H 8.413 0.020 1 456 787 48 GLN HA H 4.178 0.020 1 457 787 48 GLN HB2 H 2.092 0.020 2 458 787 48 GLN HB3 H 2.184 0.020 2 459 787 48 GLN HG2 H 2.433 0.020 2 460 787 48 GLN HG3 H 2.484 0.020 2 461 787 48 GLN HE21 H 6.855 0.020 2 462 787 48 GLN HE22 H 7.626 0.020 2 463 787 48 GLN CA C 59.433 0.400 1 464 787 48 GLN CB C 27.668 0.400 1 465 787 48 GLN CG C 34.419 0.400 1 466 787 48 GLN N N 118.154 0.400 1 467 787 48 GLN NE2 N 112.239 0.400 1 468 788 49 GLY H H 8.644 0.020 1 469 788 49 GLY HA2 H 4.037 0.020 2 470 788 49 GLY HA3 H 4.333 0.020 2 471 788 49 GLY CA C 47.451 0.400 1 472 788 49 GLY N N 113.343 0.400 1 473 789 50 GLU H H 8.539 0.020 1 474 789 50 GLU HA H 4.161 0.020 1 475 789 50 GLU HB2 H 2.090 0.020 2 476 789 50 GLU HB3 H 2.073 0.020 2 477 789 50 GLU HG2 H 2.396 0.020 2 478 789 50 GLU HG3 H 2.256 0.020 2 479 789 50 GLU CA C 59.433 0.400 1 480 789 50 GLU CB C 29.641 0.400 1 481 789 50 GLU CG C 36.464 0.400 1 482 789 50 GLU N N 121.232 0.400 1 483 790 51 ALA H H 8.035 0.020 1 484 790 51 ALA HA H 4.273 0.020 1 485 790 51 ALA HB H 1.574 0.020 1 486 790 51 ALA CA C 54.948 0.400 1 487 790 51 ALA CB C 17.901 0.400 1 488 790 51 ALA N N 122.805 0.400 1 489 791 52 GLU H H 8.309 0.020 1 490 791 52 GLU HA H 4.749 0.020 1 491 791 52 GLU HB2 H 2.101 0.020 2 492 791 52 GLU HB3 H 2.163 0.020 2 493 791 52 GLU HG2 H 2.606 0.020 2 494 791 52 GLU HG3 H 2.290 0.020 2 495 791 52 GLU CA C 58.467 0.400 1 496 791 52 GLU CB C 28.579 0.400 1 497 791 52 GLU CG C 34.427 0.400 1 498 791 52 GLU N N 122.504 0.400 1 499 792 53 PHE H H 8.835 0.020 1 500 792 53 PHE HA H 4.198 0.020 1 501 792 53 PHE HB2 H 3.156 0.020 2 502 792 53 PHE HB3 H 3.082 0.020 2 503 792 53 PHE HD1 H 7.078 0.020 1 504 792 53 PHE HD2 H 7.078 0.020 1 505 792 53 PHE HE1 H 6.680 0.020 1 506 792 53 PHE HE2 H 6.680 0.020 1 507 792 53 PHE HZ H 7.028 0.020 1 508 792 53 PHE CA C 61.619 0.400 1 509 792 53 PHE CB C 38.465 0.400 1 510 792 53 PHE CD1 C 131.074 0.400 1 511 792 53 PHE CD2 C 131.074 0.400 1 512 792 53 PHE CE1 C 129.799 0.400 1 513 792 53 PHE CE2 C 129.799 0.400 1 514 792 53 PHE CZ C 131.357 0.400 1 515 792 53 PHE N N 119.966 0.400 1 516 793 54 ALA H H 8.147 0.020 1 517 793 54 ALA HA H 3.906 0.020 1 518 793 54 ALA HB H 1.493 0.020 1 519 793 54 ALA CA C 55.020 0.400 1 520 793 54 ALA CB C 17.636 0.400 1 521 793 54 ALA N N 119.978 0.400 1 522 794 55 ARG H H 7.953 0.020 1 523 794 55 ARG HA H 3.937 0.020 1 524 794 55 ARG HB2 H 2.348 0.020 2 525 794 55 ARG HB3 H 2.077 0.020 2 526 794 55 ARG HG2 H 1.712 0.020 2 527 794 55 ARG HG3 H 1.698 0.020 2 528 794 55 ARG HD2 H 3.460 0.020 2 529 794 55 ARG HD3 H 3.071 0.020 2 530 794 55 ARG CA C 59.636 0.400 1 531 794 55 ARG CB C 30.257 0.400 1 532 794 55 ARG CG C 27.317 0.400 1 533 794 55 ARG CD C 42.968 0.400 1 534 794 55 ARG N N 121.286 0.400 1 535 795 56 ILE H H 8.091 0.020 1 536 795 56 ILE HA H 3.311 0.020 1 537 795 56 ILE HB H 1.556 0.020 1 538 795 56 ILE HG12 H 0.915 0.020 1 539 795 56 ILE HG13 H 0.915 0.020 1 540 795 56 ILE HG2 H 0.205 0.020 1 541 795 56 ILE HD1 H 0.759 0.020 1 542 795 56 ILE CA C 66.176 0.400 1 543 795 56 ILE CB C 38.334 0.400 1 544 795 56 ILE CG1 C 28.715 0.400 1 545 795 56 ILE CG2 C 16.793 0.400 1 546 795 56 ILE CD1 C 14.196 0.400 1 547 795 56 ILE N N 121.594 0.400 1 548 796 57 MET H H 8.543 0.020 1 549 796 57 MET HA H 4.266 0.020 1 550 796 57 MET HB2 H 1.731 0.020 2 551 796 57 MET HB3 H 1.768 0.020 2 552 796 57 MET HG2 H 1.363 0.020 2 553 796 57 MET HG3 H 2.125 0.020 2 554 796 57 MET HE H 1.745 0.020 1 555 796 57 MET CA C 56.204 0.400 1 556 796 57 MET CB C 29.453 0.400 1 557 796 57 MET CG C 32.040 0.400 1 558 796 57 MET CE C 15.250 0.400 1 559 796 57 MET N N 118.593 0.400 1 560 797 58 SER H H 7.740 0.020 1 561 797 58 SER HA H 4.131 0.020 1 562 797 58 SER HB2 H 3.991 0.020 2 563 797 58 SER HB3 H 3.932 0.020 2 564 797 58 SER CA C 61.233 0.400 1 565 797 58 SER CB C 63.017 0.400 1 566 797 58 SER N N 114.792 0.400 1 567 798 59 ILE H H 7.352 0.020 1 568 798 59 ILE HA H 3.869 0.020 1 569 798 59 ILE HB H 2.041 0.020 1 570 798 59 ILE HG12 H 1.056 0.020 2 571 798 59 ILE HG13 H 1.041 0.020 2 572 798 59 ILE HG2 H 1.041 0.020 1 573 798 59 ILE HD1 H 0.978 0.020 1 574 798 59 ILE CA C 63.939 0.400 1 575 798 59 ILE CB C 38.891 0.400 1 576 798 59 ILE CG1 C 28.328 0.400 1 577 798 59 ILE CG2 C 17.533 0.400 1 578 798 59 ILE CD1 C 14.065 0.400 1 579 798 59 ILE N N 121.041 0.400 1 580 799 60 VAL H H 7.806 0.020 1 581 799 60 VAL HA H 4.211 0.020 1 582 799 60 VAL HB H 1.959 0.020 1 583 799 60 VAL HG1 H 0.674 0.020 2 584 799 60 VAL HG2 H 0.692 0.020 2 585 799 60 VAL CA C 63.184 0.400 1 586 799 60 VAL CB C 32.410 0.400 1 587 799 60 VAL CG1 C 22.003 0.400 1 588 799 60 VAL CG2 C 21.041 0.400 1 589 799 60 VAL N N 110.418 0.400 1 590 800 61 ASP H H 8.124 0.020 1 591 800 61 ASP HA H 5.257 0.020 1 592 800 61 ASP HB2 H 2.108 0.020 2 593 800 61 ASP HB3 H 2.753 0.020 2 594 800 61 ASP CA C 51.735 0.400 1 595 800 61 ASP CB C 41.334 0.400 1 596 800 61 ASP N N 119.703 0.400 1 597 801 62 PRO HA H 4.360 0.020 1 598 801 62 PRO HB2 H 2.337 0.020 2 599 801 62 PRO HB3 H 1.934 0.020 2 600 801 62 PRO HG2 H 2.068 0.020 2 601 801 62 PRO HG3 H 2.031 0.020 2 602 801 62 PRO HD2 H 3.363 0.020 2 603 801 62 PRO HD3 H 3.695 0.020 2 604 801 62 PRO CA C 65.035 0.400 1 605 801 62 PRO CB C 31.897 0.400 1 606 801 62 PRO CG C 27.321 0.400 1 607 801 62 PRO CD C 50.464 0.400 1 608 802 63 ASN H H 8.967 0.020 1 609 802 63 ASN HA H 4.779 0.020 1 610 802 63 ASN HB2 H 2.892 0.020 2 611 802 63 ASN HB3 H 2.764 0.020 2 612 802 63 ASN HD21 H 7.335 0.020 2 613 802 63 ASN HD22 H 7.061 0.020 2 614 802 63 ASN CA C 53.228 0.400 1 615 802 63 ASN CB C 38.214 0.400 1 616 802 63 ASN N N 115.156 0.400 1 617 802 63 ASN ND2 N 113.830 0.400 1 618 803 64 ARG H H 8.013 0.020 1 619 803 64 ARG HA H 3.849 0.020 1 620 803 64 ARG HB2 H 1.840 0.020 2 621 803 64 ARG HB3 H 1.923 0.020 2 622 803 64 ARG HG2 H 1.566 0.020 2 623 803 64 ARG HG3 H 1.501 0.020 2 624 803 64 ARG HD2 H 3.190 0.020 2 625 803 64 ARG HD3 H 3.157 0.020 2 626 803 64 ARG CA C 56.976 0.400 1 627 803 64 ARG CB C 26.440 0.400 1 628 803 64 ARG CG C 27.624 0.400 1 629 803 64 ARG CD C 43.613 0.400 1 630 803 64 ARG N N 117.568 0.400 1 631 804 65 LEU H H 10.338 0.020 1 632 804 65 LEU HA H 4.212 0.020 1 633 804 65 LEU HB2 H 1.872 0.020 2 634 804 65 LEU HB3 H 1.517 0.020 2 635 804 65 LEU HG H 1.575 0.020 1 636 804 65 LEU HD1 H 0.922 0.020 2 637 804 65 LEU HD2 H 0.812 0.020 2 638 804 65 LEU CA C 56.161 0.400 1 639 804 65 LEU CB C 42.888 0.400 1 640 804 65 LEU CG C 27.319 0.400 1 641 804 65 LEU CD1 C 25.243 0.400 1 642 804 65 LEU CD2 C 22.275 0.400 1 643 804 65 LEU N N 122.899 0.400 1 644 805 66 GLY H H 10.955 0.020 1 645 805 66 GLY HA2 H 3.357 0.020 2 646 805 66 GLY HA3 H 4.069 0.020 2 647 805 66 GLY CA C 45.281 0.400 1 648 805 66 GLY N N 110.909 0.400 1 649 806 67 VAL H H 6.806 0.020 1 650 806 67 VAL HA H 4.583 0.020 1 651 806 67 VAL HB H 1.754 0.020 1 652 806 67 VAL HG1 H 0.783 0.020 2 653 806 67 VAL HG2 H 0.686 0.020 2 654 806 67 VAL CA C 59.415 0.400 1 655 806 67 VAL CB C 36.303 0.400 1 656 806 67 VAL CG1 C 21.541 0.400 1 657 806 67 VAL CG2 C 18.914 0.400 1 658 806 67 VAL N N 111.683 0.400 1 659 807 68 VAL H H 9.156 0.020 1 660 807 68 VAL HA H 4.186 0.020 1 661 807 68 VAL HB H 1.642 0.020 1 662 807 68 VAL HG1 H 0.274 0.020 2 663 807 68 VAL HG2 H 0.148 0.020 2 664 807 68 VAL CA C 61.680 0.400 1 665 807 68 VAL CB C 32.903 0.400 1 666 807 68 VAL CG1 C 19.738 0.400 1 667 807 68 VAL CG2 C 20.129 0.400 1 668 807 68 VAL N N 123.649 0.400 1 669 808 69 THR H H 7.948 0.020 1 670 808 69 THR HA H 4.782 0.020 1 671 808 69 THR HB H 4.345 0.020 1 672 808 69 THR HG2 H 1.316 0.020 1 673 808 69 THR CA C 62.526 0.400 1 674 808 69 THR CB C 69.707 0.400 1 675 808 69 THR CG2 C 21.881 0.400 1 676 808 69 THR N N 116.404 0.400 1 677 809 70 PHE H H 8.528 0.020 1 678 809 70 PHE HA H 3.502 0.020 1 679 809 70 PHE HB2 H 2.461 0.020 2 680 809 70 PHE HB3 H 2.700 0.020 2 681 809 70 PHE HD1 H 6.435 0.020 1 682 809 70 PHE HD2 H 6.435 0.020 1 683 809 70 PHE HE1 H 7.176 0.020 1 684 809 70 PHE HE2 H 7.176 0.020 1 685 809 70 PHE HZ H 7.094 0.020 1 686 809 70 PHE CA C 61.778 0.400 1 687 809 70 PHE CB C 38.435 0.400 1 688 809 70 PHE CD1 C 131.769 0.400 1 689 809 70 PHE CD2 C 131.769 0.400 1 690 809 70 PHE CE1 C 130.736 0.400 1 691 809 70 PHE CE2 C 130.736 0.400 1 692 809 70 PHE CZ C 131.731 0.400 1 693 809 70 PHE N N 121.514 0.400 1 694 810 71 GLN H H 8.638 0.020 1 695 810 71 GLN HA H 3.621 0.020 1 696 810 71 GLN HB2 H 2.163 0.020 2 697 810 71 GLN HB3 H 1.896 0.020 2 698 810 71 GLN HG2 H 2.347 0.020 2 699 810 71 GLN HG3 H 2.394 0.020 2 700 810 71 GLN HE21 H 7.821 0.020 2 701 810 71 GLN HE22 H 6.831 0.020 2 702 810 71 GLN CA C 58.548 0.400 1 703 810 71 GLN CB C 28.397 0.400 1 704 810 71 GLN CG C 33.767 0.400 1 705 810 71 GLN N N 116.869 0.400 1 706 810 71 GLN NE2 N 115.335 0.400 1 707 811 72 ALA H H 7.795 0.020 1 708 811 72 ALA HA H 4.148 0.020 1 709 811 72 ALA HB H 1.588 0.020 1 710 811 72 ALA CA C 55.089 0.400 1 711 811 72 ALA CB C 19.240 0.400 1 712 811 72 ALA N N 121.318 0.400 1 713 812 73 PHE H H 8.093 0.020 1 714 812 73 PHE HA H 4.177 0.020 1 715 812 73 PHE HB2 H 3.313 0.020 1 716 812 73 PHE HB3 H 3.313 0.020 1 717 812 73 PHE HD1 H 7.093 0.020 1 718 812 73 PHE HD2 H 7.093 0.020 1 719 812 73 PHE HE1 H 6.943 0.020 1 720 812 73 PHE HE2 H 6.943 0.020 1 721 812 73 PHE HZ H 7.281 0.020 1 722 812 73 PHE CA C 60.497 0.400 1 723 812 73 PHE CB C 39.026 0.400 1 724 812 73 PHE CD1 C 131.672 0.400 1 725 812 73 PHE CD2 C 131.672 0.400 1 726 812 73 PHE CE1 C 130.892 0.400 1 727 812 73 PHE CE2 C 130.892 0.400 1 728 812 73 PHE CZ C 133.683 0.400 1 729 812 73 PHE N N 119.498 0.400 1 730 813 74 ILE H H 8.316 0.020 1 731 813 74 ILE HA H 3.145 0.020 1 732 813 74 ILE HB H 1.572 0.020 1 733 813 74 ILE HG12 H 0.851 0.020 2 734 813 74 ILE HG13 H 0.847 0.020 2 735 813 74 ILE HG2 H 0.620 0.020 1 736 813 74 ILE HD1 H 0.524 0.020 1 737 813 74 ILE CA C 62.176 0.400 1 738 813 74 ILE CB C 35.790 0.400 1 739 813 74 ILE CG1 C 26.776 0.400 1 740 813 74 ILE CG2 C 18.354 0.400 1 741 813 74 ILE CD1 C 11.427 0.400 1 742 813 74 ILE N N 119.554 0.400 1 743 814 75 ASP H H 8.434 0.020 1 744 814 75 ASP HA H 4.240 0.020 1 745 814 75 ASP HB2 H 2.629 0.020 2 746 814 75 ASP HB3 H 2.777 0.020 2 747 814 75 ASP CA C 57.903 0.400 1 748 814 75 ASP CB C 40.242 0.400 1 749 814 75 ASP N N 123.772 0.400 1 750 815 76 PHE H H 7.904 0.020 1 751 815 76 PHE HA H 4.173 0.020 1 752 815 76 PHE HB2 H 3.170 0.020 1 753 815 76 PHE HB3 H 3.170 0.020 1 754 815 76 PHE HD1 H 7.022 0.020 1 755 815 76 PHE HD2 H 7.022 0.020 1 756 815 76 PHE HE1 H 6.620 0.020 1 757 815 76 PHE HE2 H 6.620 0.020 1 758 815 76 PHE HZ H 7.350 0.020 1 759 815 76 PHE CA C 61.125 0.400 1 760 815 76 PHE CB C 39.292 0.400 1 761 815 76 PHE CD1 C 131.295 0.400 1 762 815 76 PHE CD2 C 131.295 0.400 1 763 815 76 PHE CE1 C 128.916 0.400 1 764 815 76 PHE CE2 C 128.916 0.400 1 765 815 76 PHE CZ C 131.676 0.400 1 766 815 76 PHE N N 121.079 0.400 1 767 816 77 MET H H 8.270 0.020 1 768 816 77 MET HA H 3.864 0.020 1 769 816 77 MET HB2 H 1.277 0.020 1 770 816 77 MET HB3 H 1.277 0.020 1 771 816 77 MET HG2 H 1.141 0.020 2 772 816 77 MET HG3 H 1.833 0.020 2 773 816 77 MET HE H 1.720 0.020 1 774 816 77 MET CA C 55.934 0.400 1 775 816 77 MET CB C 30.451 0.400 1 776 816 77 MET CG C 31.857 0.400 1 777 816 77 MET CE C 17.171 0.400 1 778 816 77 MET N N 117.231 0.400 1 779 817 78 SER H H 8.100 0.020 1 780 817 78 SER HA H 4.209 0.020 1 781 817 78 SER HB2 H 3.867 0.020 2 782 817 78 SER HB3 H 4.013 0.020 2 783 817 78 SER CA C 60.410 0.400 1 784 817 78 SER CB C 63.328 0.400 1 785 817 78 SER N N 114.308 0.400 1 786 818 79 ARG H H 7.329 0.020 1 787 818 79 ARG HA H 4.164 0.020 1 788 818 79 ARG HB2 H 1.831 0.020 2 789 818 79 ARG HB3 H 1.809 0.020 2 790 818 79 ARG HG2 H 1.710 0.020 2 791 818 79 ARG HG3 H 1.589 0.020 2 792 818 79 ARG HD2 H 3.182 0.020 2 793 818 79 ARG HD3 H 3.159 0.020 2 794 818 79 ARG CA C 57.468 0.400 1 795 818 79 ARG CB C 30.385 0.400 1 796 818 79 ARG CG C 27.408 0.400 1 797 818 79 ARG CD C 43.273 0.400 1 798 818 79 ARG N N 121.459 0.400 1 799 819 80 GLU H H 8.059 0.020 1 800 819 80 GLU HA H 4.164 0.020 1 801 819 80 GLU HB2 H 1.956 0.020 2 802 819 80 GLU HB3 H 1.820 0.020 2 803 819 80 GLU HG2 H 1.791 0.020 1 804 819 80 GLU HG3 H 1.791 0.020 1 805 819 80 GLU CA C 57.468 0.400 1 806 819 80 GLU CB C 30.526 0.400 1 807 819 80 GLU CG C 36.513 0.400 1 808 819 80 GLU N N 119.944 0.400 1 809 820 81 THR H H 7.789 0.020 1 810 820 81 THR HA H 4.309 0.020 1 811 820 81 THR HB H 4.263 0.020 1 812 820 81 THR HG2 H 1.230 0.020 1 813 820 81 THR CA C 62.191 0.400 1 814 820 81 THR CB C 69.877 0.400 1 815 820 81 THR CG2 C 21.576 0.400 1 816 820 81 THR N N 112.658 0.400 1 817 821 82 ALA H H 8.003 0.020 1 818 821 82 ALA HA H 4.332 0.020 1 819 821 82 ALA HB H 1.399 0.020 1 820 821 82 ALA CA C 52.816 0.400 1 821 821 82 ALA CB C 19.459 0.400 1 822 821 82 ALA N N 126.145 0.400 1 823 822 83 ASP H H 8.330 0.020 1 824 822 83 ASP HA H 4.642 0.020 1 825 822 83 ASP HB2 H 2.706 0.020 2 826 822 83 ASP HB3 H 2.587 0.020 2 827 822 83 ASP CA C 54.439 0.400 1 828 822 83 ASP CB C 40.866 0.400 1 829 822 83 ASP N N 120.003 0.400 1 830 823 84 THR H H 8.093 0.020 1 831 823 84 THR HA H 4.304 0.020 1 832 823 84 THR HB H 4.271 0.020 1 833 823 84 THR HG2 H 1.196 0.020 1 834 823 84 THR CA C 62.284 0.400 1 835 823 84 THR CB C 69.738 0.400 1 836 823 84 THR CG2 C 21.630 0.400 1 837 823 84 THR N N 114.181 0.400 1 838 824 85 ASP H H 8.426 0.020 1 839 824 85 ASP HA H 4.651 0.020 1 840 824 85 ASP HB2 H 2.733 0.020 2 841 824 85 ASP HB3 H 2.586 0.020 2 842 824 85 ASP CA C 54.595 0.400 1 843 824 85 ASP CB C 41.145 0.400 1 844 824 85 ASP N N 123.285 0.400 1 845 825 86 THR H H 8.157 0.020 1 846 825 86 THR HA H 4.313 0.020 1 847 825 86 THR HB H 4.263 0.020 1 848 825 86 THR HG2 H 1.199 0.020 1 849 825 86 THR CA C 62.329 0.400 1 850 825 86 THR CB C 69.541 0.400 1 851 825 86 THR CG2 C 21.677 0.400 1 852 825 86 THR N N 114.970 0.400 1 853 826 87 ALA H H 8.374 0.020 1 854 826 87 ALA HA H 4.201 0.020 1 855 826 87 ALA HB H 1.489 0.020 1 856 826 87 ALA CA C 54.473 0.400 1 857 826 87 ALA CB C 18.696 0.400 1 858 826 87 ALA N N 124.991 0.400 1 859 827 88 ASP H H 8.255 0.020 1 860 827 88 ASP HA H 4.462 0.020 1 861 827 88 ASP HB2 H 2.714 0.020 2 862 827 88 ASP HB3 H 2.689 0.020 2 863 827 88 ASP CA C 56.151 0.400 1 864 827 88 ASP CB C 40.929 0.400 1 865 827 88 ASP N N 117.795 0.400 1 866 828 89 GLN H H 8.086 0.020 1 867 828 89 GLN HA H 4.121 0.020 1 868 828 89 GLN HB2 H 2.093 0.020 2 869 828 89 GLN HB3 H 2.108 0.020 2 870 828 89 GLN HG2 H 2.412 0.020 2 871 828 89 GLN HG3 H 2.349 0.020 2 872 828 89 GLN HE21 H 7.465 0.020 2 873 828 89 GLN HE22 H 6.803 0.020 2 874 828 89 GLN CA C 57.950 0.400 1 875 828 89 GLN CB C 28.586 0.400 1 876 828 89 GLN CG C 34.111 0.400 1 877 828 89 GLN N N 120.646 0.400 1 878 828 89 GLN NE2 N 112.262 0.400 1 879 829 90 VAL H H 8.048 0.020 1 880 829 90 VAL HA H 3.551 0.020 1 881 829 90 VAL HB H 1.929 0.020 1 882 829 90 VAL HG1 H 0.514 0.020 2 883 829 90 VAL HG2 H 0.838 0.020 2 884 829 90 VAL CA C 65.321 0.400 1 885 829 90 VAL CB C 31.750 0.400 1 886 829 90 VAL CG1 C 21.532 0.400 1 887 829 90 VAL CG2 C 21.908 0.400 1 888 829 90 VAL N N 120.933 0.400 1 889 830 91 MET H H 8.088 0.020 1 890 830 91 MET HA H 4.030 0.020 1 891 830 91 MET HB2 H 2.132 0.020 2 892 830 91 MET HB3 H 2.200 0.020 2 893 830 91 MET HG2 H 2.763 0.020 2 894 830 91 MET HG3 H 2.761 0.020 2 895 830 91 MET HE H 2.315 0.020 1 896 830 91 MET CA C 58.013 0.400 1 897 830 91 MET CB C 32.110 0.400 1 898 830 91 MET CG C 32.632 0.400 1 899 830 91 MET CE C 17.486 0.400 1 900 830 91 MET N N 119.386 0.400 1 901 831 92 ALA H H 7.829 0.020 1 902 831 92 ALA HA H 4.075 0.020 1 903 831 92 ALA HB H 1.408 0.020 1 904 831 92 ALA CA C 54.619 0.400 1 905 831 92 ALA CB C 18.126 0.400 1 906 831 92 ALA N N 121.027 0.400 1 907 832 93 SER H H 7.711 0.020 1 908 832 93 SER HA H 4.181 0.020 1 909 832 93 SER HB2 H 3.834 0.020 2 910 832 93 SER HB3 H 3.769 0.020 2 911 832 93 SER CA C 61.039 0.400 1 912 832 93 SER CB C 62.671 0.400 1 913 832 93 SER N N 114.314 0.400 1 914 833 94 PHE H H 7.717 0.020 1 915 833 94 PHE HA H 4.230 0.020 1 916 833 94 PHE HB2 H 2.940 0.020 2 917 833 94 PHE HB3 H 2.583 0.020 2 918 833 94 PHE HD1 H 7.047 0.020 1 919 833 94 PHE HD2 H 7.047 0.020 1 920 833 94 PHE HE1 H 6.843 0.020 1 921 833 94 PHE HE2 H 6.843 0.020 1 922 833 94 PHE CA C 58.434 0.400 1 923 833 94 PHE CB C 38.249 0.400 1 924 833 94 PHE CD1 C 130.116 0.400 1 925 833 94 PHE CD2 C 130.116 0.400 1 926 833 94 PHE CE1 C 131.397 0.400 1 927 833 94 PHE CE2 C 131.397 0.400 1 928 833 94 PHE N N 121.898 0.400 1 929 834 95 LYS H H 7.844 0.020 1 930 834 95 LYS HA H 3.622 0.020 1 931 834 95 LYS HB2 H 1.822 0.020 2 932 834 95 LYS HB3 H 1.874 0.020 2 933 834 95 LYS HG2 H 1.489 0.020 2 934 834 95 LYS HG3 H 1.492 0.020 2 935 834 95 LYS HD2 H 1.774 0.020 2 936 834 95 LYS HD3 H 1.743 0.020 2 937 834 95 LYS HE2 H 3.033 0.020 2 938 834 95 LYS HE3 H 2.997 0.020 2 939 834 95 LYS CA C 59.425 0.400 1 940 834 95 LYS CB C 32.184 0.400 1 941 834 95 LYS CG C 25.340 0.400 1 942 834 95 LYS CD C 29.348 0.400 1 943 834 95 LYS CE C 42.276 0.400 1 944 834 95 LYS N N 118.752 0.400 1 945 835 96 ILE H H 7.311 0.020 1 946 835 96 ILE HA H 3.770 0.020 1 947 835 96 ILE HB H 1.876 0.020 1 948 835 96 ILE HG12 H 1.180 0.020 2 949 835 96 ILE HG13 H 1.605 0.020 2 950 835 96 ILE HG2 H 0.863 0.020 1 951 835 96 ILE HD1 H 0.820 0.020 1 952 835 96 ILE CA C 63.719 0.400 1 953 835 96 ILE CB C 37.906 0.400 1 954 835 96 ILE CG1 C 28.901 0.400 1 955 835 96 ILE CG2 C 17.161 0.400 1 956 835 96 ILE CD1 C 12.638 0.400 1 957 835 96 ILE N N 118.528 0.400 1 958 836 97 LEU H H 7.617 0.020 1 959 836 97 LEU HA H 3.990 0.020 1 960 836 97 LEU HB2 H 1.740 0.020 2 961 836 97 LEU HB3 H 1.411 0.020 2 962 836 97 LEU HG H 1.704 0.020 1 963 836 97 LEU HD1 H 0.786 0.020 2 964 836 97 LEU HD2 H 0.775 0.020 2 965 836 97 LEU CA C 57.166 0.400 1 966 836 97 LEU CB C 42.496 0.400 1 967 836 97 LEU CG C 26.742 0.400 1 968 836 97 LEU CD1 C 24.710 0.400 1 969 836 97 LEU CD2 C 23.640 0.400 1 970 836 97 LEU N N 121.176 0.400 1 971 837 98 ALA H H 8.092 0.020 1 972 837 98 ALA HA H 3.924 0.020 1 973 837 98 ALA HB H 1.140 0.020 1 974 837 98 ALA CA C 53.417 0.400 1 975 837 98 ALA CB C 19.392 0.400 1 976 837 98 ALA N N 119.189 0.400 1 977 838 99 GLY H H 7.667 0.020 1 978 838 99 GLY HA2 H 3.868 0.020 2 979 838 99 GLY HA3 H 3.743 0.020 2 980 838 99 GLY CA C 47.029 0.400 1 981 838 99 GLY N N 106.965 0.400 1 982 839 100 ASP H H 8.703 0.020 1 983 839 100 ASP HA H 4.517 0.020 1 984 839 100 ASP HB2 H 2.701 0.020 2 985 839 100 ASP HB3 H 2.695 0.020 2 986 839 100 ASP CA C 54.581 0.400 1 987 839 100 ASP CB C 40.584 0.400 1 988 839 100 ASP N N 122.392 0.400 1 989 840 101 LYS H H 7.592 0.020 1 990 840 101 LYS HA H 4.332 0.020 1 991 840 101 LYS HB2 H 1.902 0.020 2 992 840 101 LYS HB3 H 1.124 0.020 2 993 840 101 LYS HG2 H 1.375 0.020 1 994 840 101 LYS HG3 H 1.375 0.020 1 995 840 101 LYS HD2 H 1.230 0.020 2 996 840 101 LYS HD3 H 1.629 0.020 2 997 840 101 LYS HE2 H 2.963 0.020 2 998 840 101 LYS HE3 H 2.807 0.020 2 999 840 101 LYS CA C 55.967 0.400 1 1000 840 101 LYS CB C 33.751 0.400 1 1001 840 101 LYS CG C 23.598 0.400 1 1002 840 101 LYS CD C 28.541 0.400 1 1003 840 101 LYS CE C 40.876 0.400 1 1004 840 101 LYS N N 117.603 0.400 1 1005 841 102 ASN H H 8.689 0.020 1 1006 841 102 ASN HA H 4.642 0.020 1 1007 841 102 ASN HB2 H 2.998 0.020 2 1008 841 102 ASN HB3 H 2.622 0.020 2 1009 841 102 ASN HD21 H 7.808 0.020 2 1010 841 102 ASN HD22 H 7.005 0.020 2 1011 841 102 ASN CA C 53.696 0.400 1 1012 841 102 ASN CB C 39.256 0.400 1 1013 841 102 ASN N N 116.654 0.400 1 1014 841 102 ASN ND2 N 113.408 0.400 1 1015 842 103 TYR H H 6.638 0.020 1 1016 842 103 TYR HA H 5.013 0.020 1 1017 842 103 TYR HB2 H 2.805 0.020 2 1018 842 103 TYR HB3 H 1.663 0.020 2 1019 842 103 TYR HD1 H 6.209 0.020 1 1020 842 103 TYR HD2 H 6.209 0.020 1 1021 842 103 TYR HE1 H 6.616 0.020 1 1022 842 103 TYR HE2 H 6.616 0.020 1 1023 842 103 TYR CA C 55.133 0.400 1 1024 842 103 TYR CB C 40.628 0.400 1 1025 842 103 TYR CD1 C 133.412 0.400 1 1026 842 103 TYR CD2 C 133.412 0.400 1 1027 842 103 TYR CE1 C 118.111 0.400 1 1028 842 103 TYR CE2 C 118.111 0.400 1 1029 842 103 TYR N N 112.231 0.400 1 1030 843 104 ILE H H 8.626 0.020 1 1031 843 104 ILE HA H 4.800 0.020 1 1032 843 104 ILE HB H 1.520 0.020 1 1033 843 104 ILE HG12 H 1.607 0.020 2 1034 843 104 ILE HG13 H 1.068 0.020 2 1035 843 104 ILE HG2 H 0.800 0.020 1 1036 843 104 ILE HD1 H 0.598 0.020 1 1037 843 104 ILE CA C 59.462 0.400 1 1038 843 104 ILE CB C 43.469 0.400 1 1039 843 104 ILE CG1 C 28.394 0.400 1 1040 843 104 ILE CG2 C 17.827 0.400 1 1041 843 104 ILE CD1 C 14.977 0.400 1 1042 843 104 ILE N N 115.455 0.400 1 1043 844 105 THR H H 9.329 0.020 1 1044 844 105 THR HA H 5.393 0.020 1 1045 844 105 THR HB H 4.691 0.020 1 1046 844 105 THR HG2 H 1.260 0.020 1 1047 844 105 THR CA C 60.380 0.400 1 1048 844 105 THR CB C 71.475 0.400 1 1049 844 105 THR CG2 C 22.325 0.400 1 1050 844 105 THR N N 117.140 0.400 1 1051 845 106 MET H H 8.555 0.020 1 1052 845 106 MET HA H 3.852 0.020 1 1053 845 106 MET HB2 H 2.060 0.020 2 1054 845 106 MET HB3 H 2.194 0.020 2 1055 845 106 MET HG2 H 2.532 0.020 2 1056 845 106 MET HG3 H 2.935 0.020 2 1057 845 106 MET HE H 2.170 0.020 1 1058 845 106 MET CA C 60.389 0.400 1 1059 845 106 MET CB C 33.110 0.400 1 1060 845 106 MET CG C 32.891 0.400 1 1061 845 106 MET CE C 17.660 0.400 1 1062 845 106 MET N N 119.879 0.400 1 1063 846 107 ASP H H 8.375 0.020 1 1064 846 107 ASP HA H 4.310 0.020 1 1065 846 107 ASP HB2 H 2.585 0.020 2 1066 846 107 ASP HB3 H 2.569 0.020 2 1067 846 107 ASP CA C 57.489 0.400 1 1068 846 107 ASP CB C 40.672 0.400 1 1069 846 107 ASP N N 116.360 0.400 1 1070 847 108 GLU H H 7.852 0.020 1 1071 847 108 GLU HA H 3.886 0.020 1 1072 847 108 GLU HB2 H 1.793 0.020 2 1073 847 108 GLU HB3 H 2.382 0.020 2 1074 847 108 GLU HG2 H 2.302 0.020 2 1075 847 108 GLU HG3 H 2.300 0.020 2 1076 847 108 GLU CA C 59.754 0.400 1 1077 847 108 GLU CB C 29.757 0.400 1 1078 847 108 GLU CG C 37.589 0.400 1 1079 847 108 GLU N N 120.575 0.400 1 1080 848 109 LEU H H 7.834 0.020 1 1081 848 109 LEU HA H 3.860 0.020 1 1082 848 109 LEU HB2 H 1.207 0.020 2 1083 848 109 LEU HB3 H 1.978 0.020 2 1084 848 109 LEU HG H 1.610 0.020 1 1085 848 109 LEU HD1 H 0.723 0.020 2 1086 848 109 LEU HD2 H 0.661 0.020 2 1087 848 109 LEU CA C 58.683 0.400 1 1088 848 109 LEU CB C 42.524 0.400 1 1089 848 109 LEU CG C 27.124 0.400 1 1090 848 109 LEU CD1 C 24.656 0.400 1 1091 848 109 LEU CD2 C 27.626 0.400 1 1092 848 109 LEU N N 118.753 0.400 1 1093 849 110 ARG H H 8.055 0.020 1 1094 849 110 ARG HA H 3.960 0.020 1 1095 849 110 ARG HB2 H 1.806 0.020 2 1096 849 110 ARG HB3 H 1.782 0.020 2 1097 849 110 ARG HG2 H 1.492 0.020 1 1098 849 110 ARG HG3 H 1.492 0.020 1 1099 849 110 ARG HD2 H 3.075 0.020 2 1100 849 110 ARG HD3 H 3.072 0.020 2 1101 849 110 ARG CA C 58.596 0.400 1 1102 849 110 ARG CB C 30.145 0.400 1 1103 849 110 ARG CG C 29.940 0.400 1 1104 849 110 ARG CD C 43.239 0.400 1 1105 849 110 ARG N N 113.976 0.400 1 1106 850 111 ARG H H 7.739 0.020 1 1107 850 111 ARG HA H 4.231 0.020 1 1108 850 111 ARG HB2 H 1.982 0.020 1 1109 850 111 ARG HB3 H 1.982 0.020 1 1110 850 111 ARG HG2 H 1.731 0.020 2 1111 850 111 ARG HG3 H 1.559 0.020 2 1112 850 111 ARG HD2 H 3.234 0.020 2 1113 850 111 ARG HD3 H 3.212 0.020 2 1114 850 111 ARG CA C 58.379 0.400 1 1115 850 111 ARG CB C 31.113 0.400 1 1116 850 111 ARG CG C 27.666 0.400 1 1117 850 111 ARG CD C 43.605 0.400 1 1118 850 111 ARG N N 118.184 0.400 1 1119 851 112 GLU H H 7.591 0.020 1 1120 851 112 GLU HA H 4.380 0.020 1 1121 851 112 GLU HB2 H 2.168 0.020 2 1122 851 112 GLU HB3 H 1.766 0.020 2 1123 851 112 GLU HG2 H 2.431 0.020 2 1124 851 112 GLU HG3 H 2.300 0.020 2 1125 851 112 GLU CA C 56.994 0.400 1 1126 851 112 GLU CB C 31.685 0.400 1 1127 851 112 GLU CG C 35.350 0.400 1 1128 851 112 GLU N N 115.550 0.400 1 1129 852 113 LEU H H 7.891 0.020 1 1130 852 113 LEU HA H 4.926 0.020 1 1131 852 113 LEU HB2 H 1.759 0.020 2 1132 852 113 LEU HB3 H 1.359 0.020 2 1133 852 113 LEU HG H 1.706 0.020 1 1134 852 113 LEU HD1 H 0.871 0.020 2 1135 852 113 LEU HD2 H 0.910 0.020 2 1136 852 113 LEU CA C 52.291 0.400 1 1137 852 113 LEU CB C 42.638 0.400 1 1138 852 113 LEU CG C 27.060 0.400 1 1139 852 113 LEU CD1 C 26.784 0.400 1 1140 852 113 LEU CD2 C 22.968 0.400 1 1141 852 113 LEU N N 119.170 0.400 1 1142 854 115 PRO HA H 4.305 0.020 1 1143 854 115 PRO HB2 H 2.468 0.020 2 1144 854 115 PRO HB3 H 2.074 0.020 2 1145 854 115 PRO HG2 H 2.176 0.020 2 1146 854 115 PRO HG3 H 2.204 0.020 2 1147 854 115 PRO HD2 H 3.899 0.020 2 1148 854 115 PRO HD3 H 3.830 0.020 2 1149 854 115 PRO CA C 66.402 0.400 1 1150 854 115 PRO CB C 32.324 0.400 1 1151 854 115 PRO CG C 27.625 0.400 1 1152 854 115 PRO CD C 50.281 0.400 1 1153 855 116 ASP H H 8.796 0.020 1 1154 855 116 ASP HA H 4.379 0.020 1 1155 855 116 ASP HB2 H 2.751 0.020 2 1156 855 116 ASP HB3 H 2.623 0.020 2 1157 855 116 ASP CA C 57.058 0.400 1 1158 855 116 ASP CB C 39.239 0.400 1 1159 855 116 ASP N N 114.853 0.400 1 1160 856 117 GLN H H 7.471 0.020 1 1161 856 117 GLN HA H 4.240 0.020 1 1162 856 117 GLN HB2 H 2.012 0.020 2 1163 856 117 GLN HB3 H 2.154 0.020 2 1164 856 117 GLN HG2 H 2.344 0.020 2 1165 856 117 GLN HG3 H 2.416 0.020 2 1166 856 117 GLN HE21 H 7.462 0.020 2 1167 856 117 GLN HE22 H 6.635 0.020 2 1168 856 117 GLN CA C 58.384 0.400 1 1169 856 117 GLN CB C 29.343 0.400 1 1170 856 117 GLN CG C 33.994 0.400 1 1171 856 117 GLN N N 121.513 0.400 1 1172 856 117 GLN NE2 N 110.243 0.400 1 1173 857 118 ALA H H 8.889 0.020 1 1174 857 118 ALA HA H 3.830 0.020 1 1175 857 118 ALA HB H 1.348 0.020 1 1176 857 118 ALA CA C 56.405 0.400 1 1177 857 118 ALA CB C 17.984 0.400 1 1178 857 118 ALA N N 122.821 0.400 1 1179 858 119 GLU H H 8.143 0.020 1 1180 858 119 GLU HA H 4.056 0.020 1 1181 858 119 GLU HB2 H 2.025 0.020 2 1182 858 119 GLU HB3 H 2.170 0.020 2 1183 858 119 GLU HG2 H 2.593 0.020 2 1184 858 119 GLU HG3 H 2.466 0.020 2 1185 858 119 GLU CA C 58.781 0.400 1 1186 858 119 GLU CB C 28.667 0.400 1 1187 858 119 GLU CG C 35.622 0.400 1 1188 858 119 GLU N N 114.091 0.400 1 1189 859 120 TYR H H 7.708 0.020 1 1190 859 120 TYR HA H 4.127 0.020 1 1191 859 120 TYR HB2 H 3.422 0.020 2 1192 859 120 TYR HB3 H 3.285 0.020 2 1193 859 120 TYR HD1 H 7.282 0.020 1 1194 859 120 TYR HD2 H 7.281 0.020 1 1195 859 120 TYR HE1 H 6.875 0.020 1 1196 859 120 TYR HE2 H 6.875 0.020 1 1197 859 120 TYR CA C 61.148 0.400 1 1198 859 120 TYR CB C 38.738 0.400 1 1199 859 120 TYR CD1 C 133.736 0.400 1 1200 859 120 TYR CD2 C 133.736 0.400 1 1201 859 120 TYR CE1 C 117.837 0.400 1 1202 859 120 TYR CE2 C 117.837 0.400 1 1203 859 120 TYR N N 120.670 0.400 1 1204 860 121 CYS H H 8.119 0.020 1 1205 860 121 CYS HA H 4.188 0.020 1 1206 860 121 CYS HB2 H 3.101 0.020 2 1207 860 121 CYS HB3 H 2.608 0.020 2 1208 860 121 CYS CA C 64.438 0.400 1 1209 860 121 CYS CB C 27.465 0.400 1 1210 860 121 CYS N N 115.848 0.400 1 1211 861 122 ILE H H 8.451 0.020 1 1212 861 122 ILE HA H 3.364 0.020 1 1213 861 122 ILE HB H 1.759 0.020 1 1214 861 122 ILE HG12 H 0.769 0.020 2 1215 861 122 ILE HG13 H 1.928 0.020 2 1216 861 122 ILE HG2 H 0.920 0.020 1 1217 861 122 ILE HD1 H 0.829 0.020 1 1218 861 122 ILE CA C 65.732 0.400 1 1219 861 122 ILE CB C 38.722 0.400 1 1220 861 122 ILE CG1 C 31.927 0.400 1 1221 861 122 ILE CG2 C 17.014 0.400 1 1222 861 122 ILE CD1 C 13.878 0.400 1 1223 861 122 ILE N N 120.124 0.400 1 1224 862 123 ALA H H 7.304 0.020 1 1225 862 123 ALA HA H 4.250 0.020 1 1226 862 123 ALA HB H 1.431 0.020 1 1227 862 123 ALA CA C 53.428 0.400 1 1228 862 123 ALA CB C 19.075 0.400 1 1229 862 123 ALA N N 116.691 0.400 1 1230 863 124 ARG H H 7.357 0.020 1 1231 863 124 ARG HA H 4.292 0.020 1 1232 863 124 ARG HB2 H 2.434 0.020 2 1233 863 124 ARG HB3 H 1.333 0.020 2 1234 863 124 ARG HG2 H 1.368 0.020 2 1235 863 124 ARG HG3 H 1.236 0.020 2 1236 863 124 ARG HD2 H 2.777 0.020 2 1237 863 124 ARG HD3 H 2.168 0.020 2 1238 863 124 ARG CA C 56.439 0.400 1 1239 863 124 ARG CB C 31.458 0.400 1 1240 863 124 ARG CG C 28.343 0.400 1 1241 863 124 ARG CD C 42.157 0.400 1 1242 863 124 ARG N N 117.259 0.400 1 1243 864 125 MET H H 7.147 0.020 1 1244 864 125 MET HA H 4.598 0.020 1 1245 864 125 MET HB2 H 1.706 0.020 1 1246 864 125 MET HB3 H 1.706 0.020 1 1247 864 125 MET HG2 H 2.345 0.020 2 1248 864 125 MET HG3 H 2.791 0.020 2 1249 864 125 MET HE H 1.741 0.020 1 1250 864 125 MET CA C 55.180 0.400 1 1251 864 125 MET CB C 37.428 0.400 1 1252 864 125 MET CG C 34.503 0.400 1 1253 864 125 MET CE C 15.133 0.400 1 1254 864 125 MET N N 117.570 0.400 1 1255 865 126 ALA H H 8.548 0.020 1 1256 865 126 ALA HA H 3.933 0.020 1 1257 865 126 ALA HB H 1.296 0.020 1 1258 865 126 ALA CA C 49.280 0.400 1 1259 865 126 ALA CB C 18.649 0.400 1 1260 865 126 ALA N N 124.616 0.400 1 1261 866 127 PRO HA H 4.519 0.020 1 1262 866 127 PRO HB2 H 2.357 0.020 2 1263 866 127 PRO HB3 H 1.694 0.020 2 1264 866 127 PRO HG2 H 2.035 0.020 2 1265 866 127 PRO HG3 H 1.949 0.020 2 1266 866 127 PRO HD2 H 3.473 0.020 2 1267 866 127 PRO HD3 H 3.555 0.020 2 1268 866 127 PRO CA C 62.821 0.400 1 1269 866 127 PRO CB C 31.991 0.400 1 1270 866 127 PRO CG C 27.682 0.400 1 1271 866 127 PRO CD C 50.243 0.400 1 1272 867 128 TYR H H 8.127 0.020 1 1273 867 128 TYR HA H 4.155 0.020 1 1274 867 128 TYR HB2 H 3.160 0.020 2 1275 867 128 TYR HB3 H 3.187 0.020 2 1276 867 128 TYR HD1 H 6.754 0.020 1 1277 867 128 TYR HD2 H 6.754 0.020 1 1278 867 128 TYR HE1 H 6.718 0.020 1 1279 867 128 TYR HE2 H 6.718 0.020 1 1280 867 128 TYR CA C 56.951 0.400 1 1281 867 128 TYR CB C 43.347 0.400 1 1282 867 128 TYR CD1 C 133.170 0.400 1 1283 867 128 TYR CD2 C 133.170 0.400 1 1284 867 128 TYR CE1 C 118.714 0.400 1 1285 867 128 TYR CE2 C 118.714 0.400 1 1286 867 128 TYR N N 122.454 0.400 1 1287 869 130 GLY H H 5.440 0.020 1 1288 869 130 GLY HA2 H 4.086 0.020 2 1289 869 130 GLY HA3 H 3.619 0.020 2 1290 869 130 GLY CA C 45.090 0.400 1 1291 869 130 GLY N N 105.881 0.400 1 1292 870 131 PRO HA H 4.361 0.020 1 1293 870 131 PRO HB2 H 2.332 0.020 2 1294 870 131 PRO HB3 H 2.020 0.020 2 1295 870 131 PRO HG2 H 2.077 0.020 2 1296 870 131 PRO HG3 H 2.094 0.020 2 1297 870 131 PRO HD2 H 3.667 0.020 1 1298 870 131 PRO HD3 H 3.667 0.020 1 1299 870 131 PRO CA C 64.841 0.400 1 1300 870 131 PRO CB C 31.630 0.400 1 1301 870 131 PRO CG C 27.506 0.400 1 1302 870 131 PRO CD C 49.665 0.400 1 1303 871 132 ASP H H 9.263 0.020 1 1304 871 132 ASP HA H 4.636 0.020 1 1305 871 132 ASP HB2 H 3.095 0.020 2 1306 871 132 ASP HB3 H 2.749 0.020 2 1307 871 132 ASP CA C 52.950 0.400 1 1308 871 132 ASP CB C 39.150 0.400 1 1309 871 132 ASP N N 116.217 0.400 1 1310 872 133 SER H H 7.487 0.020 1 1311 872 133 SER HA H 3.530 0.020 1 1312 872 133 SER HB2 H 3.693 0.020 2 1313 872 133 SER HB3 H 3.752 0.020 2 1314 872 133 SER CA C 59.184 0.400 1 1315 872 133 SER CB C 63.286 0.400 1 1316 872 133 SER N N 112.352 0.400 1 1317 873 134 VAL H H 6.411 0.020 1 1318 873 134 VAL HA H 4.753 0.020 1 1319 873 134 VAL HB H 2.264 0.020 1 1320 873 134 VAL HG1 H 0.956 0.020 2 1321 873 134 VAL HG2 H 0.588 0.020 2 1322 873 134 VAL CA C 58.068 0.400 1 1323 873 134 VAL CB C 32.917 0.400 1 1324 873 134 VAL CG1 C 21.692 0.400 1 1325 873 134 VAL CG2 C 18.282 0.400 1 1326 873 134 VAL N N 113.588 0.400 1 1327 874 135 PRO HA H 4.330 0.020 1 1328 874 135 PRO HB2 H 2.329 0.020 2 1329 874 135 PRO HB3 H 1.856 0.020 2 1330 874 135 PRO HG2 H 2.102 0.020 2 1331 874 135 PRO HG3 H 2.037 0.020 2 1332 874 135 PRO HD2 H 3.828 0.020 2 1333 874 135 PRO HD3 H 3.609 0.020 2 1334 874 135 PRO CA C 64.310 0.400 1 1335 874 135 PRO CB C 31.623 0.400 1 1336 874 135 PRO CG C 28.282 0.400 1 1337 874 135 PRO CD C 50.545 0.400 1 1338 875 136 GLY H H 8.798 0.020 1 1339 875 136 GLY HA2 H 4.345 0.020 2 1340 875 136 GLY HA3 H 3.736 0.020 2 1341 875 136 GLY CA C 45.492 0.400 1 1342 875 136 GLY N N 112.109 0.400 1 1343 876 137 ALA H H 7.762 0.020 1 1344 876 137 ALA HA H 4.137 0.020 1 1345 876 137 ALA HB H 1.134 0.020 1 1346 876 137 ALA CA C 53.263 0.400 1 1347 876 137 ALA CB C 20.554 0.400 1 1348 876 137 ALA N N 120.267 0.400 1 1349 877 138 LEU H H 9.598 0.020 1 1350 877 138 LEU HA H 4.804 0.020 1 1351 877 138 LEU HB2 H 1.841 0.020 2 1352 877 138 LEU HB3 H 1.171 0.020 2 1353 877 138 LEU HG H 0.804 0.020 1 1354 877 138 LEU HD1 H 0.807 0.020 2 1355 877 138 LEU HD2 H 0.665 0.020 2 1356 877 138 LEU CA C 54.292 0.400 1 1357 877 138 LEU CB C 44.841 0.400 1 1358 877 138 LEU CG C 27.970 0.400 1 1359 877 138 LEU CD1 C 27.891 0.400 1 1360 877 138 LEU CD2 C 22.745 0.400 1 1361 877 138 LEU N N 125.696 0.400 1 1362 878 139 ASP H H 9.028 0.020 1 1363 878 139 ASP HA H 4.919 0.020 1 1364 878 139 ASP HB2 H 2.438 0.020 2 1365 878 139 ASP HB3 H 2.973 0.020 2 1366 878 139 ASP CA C 52.130 0.400 1 1367 878 139 ASP CB C 40.798 0.400 1 1368 878 139 ASP N N 119.836 0.400 1 1369 879 140 TYR H H 7.454 0.020 1 1370 879 140 TYR HA H 4.618 0.020 1 1371 879 140 TYR HB2 H 2.991 0.020 2 1372 879 140 TYR HB3 H 2.372 0.020 2 1373 879 140 TYR HD1 H 6.835 0.020 1 1374 879 140 TYR HD2 H 6.835 0.020 1 1375 879 140 TYR HE1 H 6.572 0.020 1 1376 879 140 TYR HE2 H 6.572 0.020 1 1377 879 140 TYR CA C 59.557 0.400 1 1378 879 140 TYR CB C 37.524 0.400 1 1379 879 140 TYR CD1 C 132.851 0.400 1 1380 879 140 TYR CD2 C 132.851 0.400 1 1381 879 140 TYR CE1 C 118.374 0.400 1 1382 879 140 TYR CE2 C 118.374 0.400 1 1383 879 140 TYR N N 126.600 0.400 1 1384 880 141 MET H H 7.620 0.020 1 1385 880 141 MET HA H 4.619 0.020 1 1386 880 141 MET HB2 H 2.154 0.020 2 1387 880 141 MET HB3 H 2.142 0.020 2 1388 880 141 MET HG2 H 2.475 0.020 1 1389 880 141 MET HG3 H 2.475 0.020 1 1390 880 141 MET HE H 2.129 0.020 1 1391 880 141 MET CA C 56.205 0.400 1 1392 880 141 MET CB C 32.338 0.400 1 1393 880 141 MET CG C 32.280 0.400 1 1394 880 141 MET CE C 16.297 0.400 1 1395 880 141 MET N N 119.910 0.400 1 1396 881 142 SER H H 7.721 0.020 1 1397 881 142 SER HA H 4.501 0.020 1 1398 881 142 SER HB2 H 4.194 0.020 2 1399 881 142 SER HB3 H 3.874 0.020 2 1400 881 142 SER CA C 58.957 0.400 1 1401 881 142 SER CB C 64.284 0.400 1 1402 881 142 SER N N 114.353 0.400 1 1403 882 143 PHE H H 7.386 0.020 1 1404 882 143 PHE HA H 4.749 0.020 1 1405 882 143 PHE HB2 H 3.177 0.020 2 1406 882 143 PHE HB3 H 3.289 0.020 2 1407 882 143 PHE HD1 H 7.220 0.020 1 1408 882 143 PHE HD2 H 7.220 0.020 1 1409 882 143 PHE HE1 H 7.281 0.020 1 1410 882 143 PHE HE2 H 7.281 0.020 1 1411 882 143 PHE CA C 59.451 0.400 1 1412 882 143 PHE CB C 40.296 0.400 1 1413 882 143 PHE CD1 C 131.699 0.400 1 1414 882 143 PHE CD2 C 131.699 0.400 1 1415 882 143 PHE CE1 C 133.801 0.400 1 1416 882 143 PHE CE2 C 133.801 0.400 1 1417 882 143 PHE N N 122.746 0.400 1 1418 883 144 SER H H 7.464 0.020 1 1419 883 144 SER HA H 4.338 0.020 1 1420 883 144 SER HB2 H 3.991 0.020 2 1421 883 144 SER HB3 H 3.875 0.020 2 1422 883 144 SER CA C 57.455 0.400 1 1423 883 144 SER CB C 64.684 0.400 1 1424 883 144 SER N N 120.214 0.400 1 1425 884 145 THR H H 7.993 0.020 1 1426 884 145 THR HA H 4.008 0.020 1 1427 884 145 THR HB H 4.348 0.020 1 1428 884 145 THR HG2 H 1.308 0.020 1 1429 884 145 THR CA C 63.367 0.400 1 1430 884 145 THR CB C 69.088 0.400 1 1431 884 145 THR CG2 C 22.072 0.400 1 1432 884 145 THR N N 110.671 0.400 1 1433 885 146 ALA H H 7.905 0.020 1 1434 885 146 ALA HA H 4.270 0.020 1 1435 885 146 ALA HB H 1.255 0.020 1 1436 885 146 ALA CA C 52.160 0.400 1 1437 885 146 ALA CB C 19.310 0.400 1 1438 885 146 ALA N N 125.453 0.400 1 1439 886 147 LEU H H 8.087 0.020 1 1440 886 147 LEU HA H 4.047 0.020 1 1441 886 147 LEU HB2 H 1.464 0.020 2 1442 886 147 LEU HB3 H 1.330 0.020 2 1443 886 147 LEU HG H 1.497 0.020 1 1444 886 147 LEU HD1 H 0.778 0.020 2 1445 886 147 LEU HD2 H 0.851 0.020 2 1446 886 147 LEU CA C 55.496 0.400 1 1447 886 147 LEU CB C 42.339 0.400 1 1448 886 147 LEU CG C 27.322 0.400 1 1449 886 147 LEU CD1 C 23.895 0.400 1 1450 886 147 LEU CD2 C 25.145 0.400 1 1451 886 147 LEU N N 120.791 0.400 1 1452 887 148 TYR H H 8.272 0.020 1 1453 887 148 TYR HA H 4.403 0.020 1 1454 887 148 TYR HB2 H 2.861 0.020 2 1455 887 148 TYR HB3 H 2.785 0.020 2 1456 887 148 TYR HD1 H 7.075 0.020 1 1457 887 148 TYR HD2 H 7.075 0.020 1 1458 887 148 TYR HE1 H 6.811 0.020 1 1459 887 148 TYR HE2 H 6.811 0.020 1 1460 887 148 TYR CA C 58.794 0.400 1 1461 887 148 TYR CB C 38.621 0.400 1 1462 887 148 TYR CD1 C 133.147 0.400 1 1463 887 148 TYR CD2 C 133.147 0.400 1 1464 887 148 TYR CE1 C 118.194 0.400 1 1465 887 148 TYR CE2 C 118.194 0.400 1 1466 887 148 TYR N N 121.620 0.400 1 1467 888 149 GLY H H 8.087 0.020 1 1468 888 149 GLY HA2 H 3.815 0.020 2 1469 888 149 GLY HA3 H 3.718 0.020 2 1470 888 149 GLY CA C 45.195 0.400 1 1471 888 149 GLY N N 112.443 0.400 1 1472 889 150 GLU H H 7.991 0.020 1 1473 889 150 GLU HA H 4.295 0.020 1 1474 889 150 GLU HB2 H 2.061 0.020 2 1475 889 150 GLU HB3 H 1.901 0.020 2 1476 889 150 GLU HG2 H 2.245 0.020 2 1477 889 150 GLU HG3 H 2.205 0.020 2 1478 889 150 GLU CA C 56.593 0.400 1 1479 889 150 GLU CB C 30.601 0.400 1 1480 889 150 GLU CG C 36.364 0.400 1 1481 889 150 GLU N N 120.272 0.400 1 1482 890 151 SER H H 8.325 0.020 1 1483 890 151 SER HA H 4.452 0.020 1 1484 890 151 SER HB2 H 3.865 0.020 2 1485 890 151 SER HB3 H 3.831 0.020 2 1486 890 151 SER CA C 58.334 0.400 1 1487 890 151 SER CB C 64.174 0.400 1 1488 890 151 SER N N 116.330 0.400 1 1489 891 152 ASP H H 8.387 0.020 1 1490 891 152 ASP HA H 4.652 0.020 1 1491 891 152 ASP HB2 H 2.715 0.020 2 1492 891 152 ASP HB3 H 2.584 0.020 2 1493 891 152 ASP CA C 54.534 0.400 1 1494 891 152 ASP CB C 40.981 0.400 1 1495 891 152 ASP N N 122.987 0.400 1 1496 892 153 LEU H H 7.726 0.020 1 1497 892 153 LEU HA H 4.149 0.020 1 1498 892 153 LEU HB2 H 1.552 0.020 1 1499 892 153 LEU HB3 H 1.552 0.020 1 1500 892 153 LEU HG H 1.568 0.020 1 1501 892 153 LEU HD1 H 0.884 0.020 2 1502 892 153 LEU HD2 H 0.840 0.020 2 1503 892 153 LEU CA C 56.925 0.400 1 1504 892 153 LEU CB C 43.475 0.400 1 1505 892 153 LEU CG C 27.359 0.400 1 1506 892 153 LEU CD1 C 25.293 0.400 1 1507 892 153 LEU CD2 C 23.601 0.400 1 1508 892 153 LEU N N 127.304 0.400 1 stop_ save_