data_50084 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; E6AP C-lobe ; _BMRB_accession_number 50084 _BMRB_flat_file_name bmr50084.str _Entry_type original _Submission_date 2019-11-07 _Accession_date 2019-11-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Atomic assignment of the E6AP C-lobe (G761-L875)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Beasley Steven A. . 2 Spratt Donald E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 690 "13C chemical shifts" 524 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-07-17 original BMRB . stop_ _Original_release_date 2019-11-07 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; An Angelman Syndrome Substitution in the HECT E3 Ubiquitin Ligase C-terminal Lobe of E6AP Affects Protein Stability and Activity ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32639967 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Beasley Steven A. . 2 Kellum Chloe E. . 3 Orlomoski Rachel J. . 4 Idrizi Feston . . 5 Spratt Donald E. . stop_ _Journal_abbreviation 'PLoS ONE' _Journal_name_full 'PloS one' _Journal_volume 15 _Journal_issue 7 _Journal_ISSN 1932-6203 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e0235925 _Page_last e0235925 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'E6AP Clobe' _Enzyme_commission_number 'EC 2.3.2.26' loop_ _Mol_system_component_name _Mol_label 'E6AP Clobe' $entity_1 stop_ _System_molecular_weight 13235.1 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function ubiquitylation stop_ _Database_query_date . _Details ; Recombinant E6AP Clobe. The first 2 residues are a cloning artifact after affinity tag cleavage; G781-L875 is the remainder based on Uniprot Q96J02. ; save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 13235.10 _Mol_thiol_state 'all free' loop_ _Biological_function 'HECT E3 ligase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; GSGSRNLDFQALEETTEYDG GYTRDSVLIREFWEIVHSFT DEQKRLFLQFTTGTDRAPVG GLGKLKMIIAKNGPDTERLP TSHTCFNVLLLPEYSSKEKL KERLLKAITYAKGFGML ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 759 GLY 2 760 SER 3 761 GLY 4 762 SER 5 763 ARG 6 764 ASN 7 765 LEU 8 766 ASP 9 767 PHE 10 768 GLN 11 769 ALA 12 770 LEU 13 771 GLU 14 772 GLU 15 773 THR 16 774 THR 17 775 GLU 18 776 TYR 19 777 ASP 20 778 GLY 21 779 GLY 22 780 TYR 23 781 THR 24 782 ARG 25 783 ASP 26 784 SER 27 785 VAL 28 786 LEU 29 787 ILE 30 788 ARG 31 789 GLU 32 790 PHE 33 791 TRP 34 792 GLU 35 793 ILE 36 794 VAL 37 795 HIS 38 796 SER 39 797 PHE 40 798 THR 41 799 ASP 42 800 GLU 43 801 GLN 44 802 LYS 45 803 ARG 46 804 LEU 47 805 PHE 48 806 LEU 49 807 GLN 50 808 PHE 51 809 THR 52 810 THR 53 811 GLY 54 812 THR 55 813 ASP 56 814 ARG 57 815 ALA 58 816 PRO 59 817 VAL 60 818 GLY 61 819 GLY 62 820 LEU 63 821 GLY 64 822 LYS 65 823 LEU 66 824 LYS 67 825 MET 68 826 ILE 69 827 ILE 70 828 ALA 71 829 LYS 72 830 ASN 73 831 GLY 74 832 PRO 75 833 ASP 76 834 THR 77 835 GLU 78 836 ARG 79 837 LEU 80 838 PRO 81 839 THR 82 840 SER 83 841 HIS 84 842 THR 85 843 CYS 86 844 PHE 87 845 ASN 88 846 VAL 89 847 LEU 90 848 LEU 91 849 LEU 92 850 PRO 93 851 GLU 94 852 TYR 95 853 SER 96 854 SER 97 855 LYS 98 856 GLU 99 857 LYS 100 858 LEU 101 859 LYS 102 860 GLU 103 861 ARG 104 862 LEU 105 863 LEU 106 864 LYS 107 865 ALA 108 866 ILE 109 867 THR 110 868 TYR 111 869 ALA 112 870 LYS 113 871 GLY 114 872 PHE 115 873 GLY 116 874 MET 117 875 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNIPROT Q05086 'E6AP Clobe (G761-L875)' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens Ube3A stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli BL21(DE3) plasmid pE6AP-Clobe 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 $entity_1 3.5 mM '[U-100% 13C; U-100% 15N]' MES-NaOH 20 mM 'natural abundance' NaCl 120 mM 'natural abundance' EDTA 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRView _Version v9.1.0-b63 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment, data analysis, peak picking, processing, refinement' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength '600 MHz' _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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY aliphatic' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY aromatic' _Sample_label $sample_1 save_ save_3D_C(CO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '20 mM MES-NaOH pH6.0, 120 mM NaCl, 1 mM EDTA, 10% D2O' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 141 . mM pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 internal indirect . . . . DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal indirect . . . . 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D HN(CA)CO' '3D HNCO' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D HCCH-TOCSY aliphatic' '3D HCCH-TOCSY aromatic' '3D C(CO)NH' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'E6AP Clobe' _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 1 760 2 SER HA H 4.578 0.04 1 2 760 2 SER HB2 H 3.949 0.04 1 3 760 2 SER HB3 H 3.949 0.04 1 4 760 2 SER C C 175.063 0.4 1 5 760 2 SER CA C 58.652 0.4 1 6 760 2 SER CB C 64.030 0.4 1 7 761 3 GLY H H 8.656 0.04 1 8 761 3 GLY HA2 H 4.078 0.04 1 9 761 3 GLY HA3 H 4.078 0.04 1 10 761 3 GLY C C 174.378 0.4 1 11 761 3 GLY CA C 45.435 0.4 1 12 761 3 GLY N N 111.365 0.4 1 13 762 4 SER H H 8.345 0.04 1 14 762 4 SER HA H 4.513 0.04 1 15 762 4 SER HB2 H 3.944 0.04 1 16 762 4 SER HB3 H 3.944 0.04 1 17 762 4 SER C C 174.885 0.4 1 18 762 4 SER CA C 58.584 0.4 1 19 762 4 SER CB C 63.980 0.4 1 20 762 4 SER N N 115.903 0.4 1 21 763 5 ARG H H 8.524 0.04 1 22 763 5 ARG HA H 4.458 0.04 1 23 763 5 ARG HB2 H 1.965 0.04 1 24 763 5 ARG HB3 H 1.821 0.04 1 25 763 5 ARG HG2 H 1.714 0.04 1 26 763 5 ARG HG3 H 1.648 0.04 1 27 763 5 ARG HD2 H 3.267 0.04 1 28 763 5 ARG HD3 H 3.267 0.04 1 29 763 5 ARG C C 176.147 0.4 1 30 763 5 ARG CA C 56.249 0.4 1 31 763 5 ARG CB C 30.510 0.4 1 32 763 5 ARG CG C 27.120 0.4 1 33 763 5 ARG CD C 43.395 0.4 1 34 763 5 ARG N N 122.807 0.4 1 35 764 6 ASN H H 8.555 0.04 1 36 764 6 ASN HA H 4.705 0.04 1 37 764 6 ASN HB2 H 2.875 0.04 1 38 764 6 ASN HB3 H 2.829 0.04 1 39 764 6 ASN HD21 H 7.676 0.04 1 40 764 6 ASN HD22 H 7.007 0.04 1 41 764 6 ASN C C 175.039 0.4 1 42 764 6 ASN CA C 53.874 0.4 1 43 764 6 ASN CB C 38.988 0.4 1 44 764 6 ASN CG C 176.868 0.4 1 45 764 6 ASN N N 119.304 0.4 1 46 764 6 ASN ND2 N 112.879 0.4 1 47 765 7 LEU H H 8.549 0.04 1 48 765 7 LEU HA H 4.485 0.04 1 49 765 7 LEU HB2 H 1.891 0.04 1 50 765 7 LEU HB3 H 1.511 0.04 1 51 765 7 LEU HG H 1.754 0.04 1 52 765 7 LEU HD1 H 1.042 0.04 2 53 765 7 LEU HD2 H 0.969 0.04 2 54 765 7 LEU C C 175.366 0.4 1 55 765 7 LEU CA C 54.254 0.4 1 56 765 7 LEU CB C 42.587 0.4 1 57 765 7 LEU CG C 26.796 0.4 1 58 765 7 LEU CD1 C 25.880 0.4 2 59 765 7 LEU CD2 C 24.015 0.4 2 60 765 7 LEU N N 122.774 0.4 1 61 766 8 ASP H H 8.226 0.04 1 62 766 8 ASP HA H 4.882 0.04 1 63 766 8 ASP HB2 H 3.111 0.04 1 64 766 8 ASP HB3 H 2.697 0.04 1 65 766 8 ASP C C 176.354 0.4 1 66 766 8 ASP CA C 53.482 0.4 1 67 766 8 ASP CB C 40.917 0.4 1 68 766 8 ASP N N 122.335 0.4 1 69 767 9 PHE H H 9.392 0.04 1 70 767 9 PHE HA H 4.619 0.04 1 71 767 9 PHE HB2 H 3.546 0.04 1 72 767 9 PHE HB3 H 3.383 0.04 1 73 767 9 PHE HD1 H 7.168 0.04 3 74 767 9 PHE HD2 H 7.168 0.04 3 75 767 9 PHE C C 178.255 0.4 1 76 767 9 PHE CA C 58.691 0.4 1 77 767 9 PHE CB C 38.261 0.4 1 78 767 9 PHE CD1 C 130.321 0.4 3 79 767 9 PHE CD2 C 130.321 0.4 3 80 767 9 PHE N N 125.875 0.4 1 81 768 10 GLN H H 8.850 0.04 1 82 768 10 GLN HA H 4.111 0.04 1 83 768 10 GLN HB2 H 2.370 0.04 1 84 768 10 GLN HB3 H 2.291 0.04 1 85 768 10 GLN HG2 H 2.248 0.04 1 86 768 10 GLN HG3 H 2.186 0.04 1 87 768 10 GLN HE21 H 7.548 0.04 1 88 768 10 GLN HE22 H 6.604 0.04 1 89 768 10 GLN C C 177.949 0.4 1 90 768 10 GLN CA C 60.086 0.4 1 91 768 10 GLN CB C 27.584 0.4 1 92 768 10 GLN CG C 33.901 0.4 1 93 768 10 GLN CD C 179.959 0.4 1 94 768 10 GLN N N 124.925 0.4 1 95 768 10 GLN NE2 N 112.197 0.4 1 96 769 11 ALA H H 7.768 0.04 1 97 769 11 ALA HA H 4.114 0.04 1 98 769 11 ALA HB H 1.419 0.04 1 99 769 11 ALA C C 179.920 0.4 1 100 769 11 ALA CA C 54.358 0.4 1 101 769 11 ALA CB C 18.182 0.4 1 102 769 11 ALA N N 121.545 0.4 1 103 770 12 LEU H H 6.928 0.04 1 104 770 12 LEU HA H 4.020 0.04 1 105 770 12 LEU HB2 H 2.039 0.04 1 106 770 12 LEU HB3 H 1.264 0.04 1 107 770 12 LEU HG H 1.752 0.04 1 108 770 12 LEU HD1 H 0.720 0.04 2 109 770 12 LEU HD2 H 1.013 0.04 2 110 770 12 LEU C C 179.169 0.4 1 111 770 12 LEU CA C 56.961 0.4 1 112 770 12 LEU CB C 42.819 0.4 1 113 770 12 LEU CG C 28.528 0.4 1 114 770 12 LEU CD1 C 25.784 0.4 2 115 770 12 LEU CD2 C 24.526 0.4 2 116 770 12 LEU N N 116.201 0.4 1 117 771 13 GLU H H 7.855 0.04 1 118 771 13 GLU HA H 3.123 0.04 1 119 771 13 GLU HB2 H 1.599 0.04 1 120 771 13 GLU HB3 H 0.746 0.04 1 121 771 13 GLU HG2 H 1.377 0.04 1 122 771 13 GLU HG3 H 0.425 0.04 1 123 771 13 GLU C C 178.912 0.4 1 124 771 13 GLU CA C 59.918 0.4 1 125 771 13 GLU CB C 27.964 0.4 1 126 771 13 GLU CG C 34.101 0.4 1 127 771 13 GLU N N 121.860 0.4 1 128 772 14 GLU H H 7.680 0.04 1 129 772 14 GLU HA H 4.039 0.04 1 130 772 14 GLU HB2 H 2.110 0.04 1 131 772 14 GLU HB3 H 2.110 0.04 1 132 772 14 GLU HG2 H 2.407 0.04 1 133 772 14 GLU HG3 H 2.292 0.04 1 134 772 14 GLU C C 178.083 0.4 1 135 772 14 GLU CA C 58.864 0.4 1 136 772 14 GLU CB C 29.815 0.4 1 137 772 14 GLU CG C 36.075 0.4 1 138 772 14 GLU N N 116.564 0.4 1 139 773 15 THR H H 7.306 0.04 1 140 773 15 THR HA H 4.560 0.04 1 141 773 15 THR HB H 4.546 0.04 1 142 773 15 THR HG2 H 1.352 0.04 1 143 773 15 THR C C 174.845 0.4 1 144 773 15 THR CA C 60.901 0.4 1 145 773 15 THR CB C 70.022 0.4 1 146 773 15 THR CG2 C 22.010 0.4 1 147 773 15 THR N N 106.197 0.4 1 148 774 16 THR H H 7.298 0.04 1 149 774 16 THR HA H 4.596 0.04 1 150 774 16 THR HB H 4.215 0.04 1 151 774 16 THR HG2 H 1.049 0.04 1 152 774 16 THR C C 173.173 0.4 1 153 774 16 THR CA C 65.550 0.4 1 154 774 16 THR CB C 69.799 0.4 1 155 774 16 THR CG2 C 22.533 0.4 1 156 774 16 THR N N 122.408 0.4 1 157 775 17 GLU H H 8.425 0.04 1 158 775 17 GLU HA H 4.588 0.04 1 159 775 17 GLU HB2 H 2.167 0.04 1 160 775 17 GLU HB3 H 1.737 0.04 1 161 775 17 GLU HG2 H 2.363 0.04 1 162 775 17 GLU HG3 H 2.297 0.04 1 163 775 17 GLU C C 173.518 0.4 1 164 775 17 GLU CA C 54.244 0.4 1 165 775 17 GLU CB C 32.747 0.4 1 166 775 17 GLU CG C 36.324 0.4 1 167 775 17 GLU N N 126.233 0.4 1 168 776 18 TYR H H 8.319 0.04 1 169 776 18 TYR HA H 5.546 0.04 1 170 776 18 TYR HB2 H 3.014 0.04 1 171 776 18 TYR HB3 H 2.632 0.04 1 172 776 18 TYR HD1 H 7.141 0.04 3 173 776 18 TYR HD2 H 7.141 0.04 3 174 776 18 TYR HE1 H 6.718 0.04 3 175 776 18 TYR HE2 H 6.718 0.04 3 176 776 18 TYR C C 175.531 0.4 1 177 776 18 TYR CA C 57.556 0.4 1 178 776 18 TYR CB C 43.159 0.4 1 179 776 18 TYR CD1 C 132.811 0.4 3 180 776 18 TYR CD2 C 132.811 0.4 3 181 776 18 TYR CE1 C 118.455 0.4 3 182 776 18 TYR CE2 C 118.455 0.4 3 183 776 18 TYR N N 116.169 0.4 1 184 777 19 ASP H H 8.870 0.04 1 185 777 19 ASP HA H 5.456 0.04 1 186 777 19 ASP HB2 H 2.488 0.04 1 187 777 19 ASP HB3 H 2.488 0.04 1 188 777 19 ASP C C 178.476 0.4 1 189 777 19 ASP CA C 52.583 0.4 1 190 777 19 ASP CB C 45.824 0.4 1 191 777 19 ASP N N 120.522 0.4 1 192 778 20 GLY H H 9.122 0.04 1 193 778 20 GLY HA2 H 3.987 0.04 1 194 778 20 GLY HA3 H 3.987 0.04 1 195 778 20 GLY C C 173.525 0.4 1 196 778 20 GLY CA C 46.751 0.4 1 197 778 20 GLY N N 109.197 0.4 1 198 779 21 GLY H H 8.956 0.04 1 199 779 21 GLY HA2 H 4.547 0.04 1 200 779 21 GLY HA3 H 3.562 0.04 1 201 779 21 GLY C C 175.886 0.4 1 202 779 21 GLY CA C 44.212 0.4 1 203 779 21 GLY N N 107.420 0.4 1 204 780 22 TYR H H 6.563 0.04 1 205 780 22 TYR HA H 5.162 0.04 1 206 780 22 TYR HB2 H 3.129 0.04 1 207 780 22 TYR HB3 H 3.129 0.04 1 208 780 22 TYR HD1 H 7.172 0.04 3 209 780 22 TYR HD2 H 7.172 0.04 3 210 780 22 TYR C C 175.479 0.4 1 211 780 22 TYR CA C 55.138 0.4 1 212 780 22 TYR CB C 39.648 0.4 1 213 780 22 TYR N N 118.039 0.4 1 214 781 23 THR H H 8.452 0.04 1 215 781 23 THR HA H 4.495 0.04 1 216 781 23 THR HB H 4.486 0.04 1 217 781 23 THR HG2 H 1.196 0.04 1 218 781 23 THR C C 174.194 0.4 1 219 781 23 THR CA C 59.769 0.4 1 220 781 23 THR CB C 72.896 0.4 1 221 781 23 THR CG2 C 21.408 0.4 1 222 781 23 THR N N 109.616 0.4 1 223 782 24 ARG H H 8.701 0.04 1 224 782 24 ARG HA H 3.540 0.04 1 225 782 24 ARG HB2 H 1.923 0.04 1 226 782 24 ARG HB3 H 1.853 0.04 1 227 782 24 ARG HG2 H 1.733 0.04 1 228 782 24 ARG HG3 H 1.680 0.04 1 229 782 24 ARG HD2 H 3.312 0.04 1 230 782 24 ARG HD3 H 3.301 0.04 1 231 782 24 ARG C C 175.144 0.4 1 232 782 24 ARG CA C 58.157 0.4 1 233 782 24 ARG CB C 29.947 0.4 1 234 782 24 ARG CG C 26.805 0.4 1 235 782 24 ARG CD C 43.520 0.4 1 236 782 24 ARG N N 118.186 0.4 1 237 783 25 ASP H H 7.693 0.04 1 238 783 25 ASP HA H 4.696 0.04 1 239 783 25 ASP HB2 H 2.787 0.04 1 240 783 25 ASP HB3 H 2.381 0.04 1 241 783 25 ASP C C 176.500 0.4 1 242 783 25 ASP CA C 53.651 0.4 1 243 783 25 ASP CB C 42.042 0.4 1 244 783 25 ASP N N 113.136 0.4 1 245 784 26 SER H H 7.686 0.04 1 246 784 26 SER HA H 4.299 0.04 1 247 784 26 SER HB2 H 3.905 0.04 1 248 784 26 SER HB3 H 3.905 0.04 1 249 784 26 SER C C 174.872 0.4 1 250 784 26 SER CA C 60.382 0.4 1 251 784 26 SER CB C 63.148 0.4 1 252 784 26 SER N N 120.116 0.4 1 253 785 27 VAL H H 8.912 0.04 1 254 785 27 VAL HA H 3.518 0.04 1 255 785 27 VAL HB H 2.084 0.04 1 256 785 27 VAL HG1 H 1.143 0.04 2 257 785 27 VAL HG2 H 0.934 0.04 2 258 785 27 VAL C C 178.000 0.4 1 259 785 27 VAL CA C 67.277 0.4 1 260 785 27 VAL CB C 31.548 0.4 1 261 785 27 VAL CG1 C 22.650 0.4 2 262 785 27 VAL CG2 C 20.627 0.4 2 263 785 27 VAL N N 128.044 0.4 1 264 786 28 LEU H H 8.458 0.04 1 265 786 28 LEU HA H 4.175 0.04 1 266 786 28 LEU HB2 H 1.865 0.04 1 267 786 28 LEU HB3 H 1.419 0.04 1 268 786 28 LEU HG H 1.176 0.04 1 269 786 28 LEU HD1 H 1.169 0.04 2 270 786 28 LEU HD2 H 0.986 0.04 2 271 786 28 LEU C C 179.092 0.4 1 272 786 28 LEU CA C 56.351 0.4 1 273 786 28 LEU CB C 42.036 0.4 1 274 786 28 LEU CG C 27.751 0.4 1 275 786 28 LEU CD1 C 25.853 0.4 2 276 786 28 LEU CD2 C 24.623 0.4 2 277 786 28 LEU N N 118.779 0.4 1 278 787 29 ILE H H 6.318 0.04 1 279 787 29 ILE HA H 3.659 0.04 1 280 787 29 ILE HB H 2.231 0.04 1 281 787 29 ILE HG12 H 0.947 0.04 1 282 787 29 ILE HG13 H 0.947 0.04 1 283 787 29 ILE HG2 H 1.008 0.04 1 284 787 29 ILE HD1 H -0.034 0.04 1 285 787 29 ILE C C 177.844 0.4 1 286 787 29 ILE CA C 59.652 0.4 1 287 787 29 ILE CB C 34.781 0.4 1 288 787 29 ILE CG1 C 26.028 0.4 1 289 787 29 ILE CG2 C 19.263 0.4 1 290 787 29 ILE CD1 C 7.363 0.4 1 291 787 29 ILE N N 115.805 0.4 1 292 788 30 ARG H H 8.260 0.04 1 293 788 30 ARG HA H 4.241 0.04 1 294 788 30 ARG HB2 H 2.101 0.04 1 295 788 30 ARG HB3 H 1.972 0.04 1 296 788 30 ARG HG2 H 1.847 0.04 1 297 788 30 ARG HG3 H 1.678 0.04 1 298 788 30 ARG HD2 H 3.320 0.04 1 299 788 30 ARG HD3 H 3.320 0.04 1 300 788 30 ARG C C 180.914 0.4 1 301 788 30 ARG CA C 59.323 0.4 1 302 788 30 ARG CB C 29.769 0.4 1 303 788 30 ARG CG C 26.729 0.4 1 304 788 30 ARG CD C 43.844 0.4 1 305 788 30 ARG N N 120.138 0.4 1 306 789 31 GLU H H 8.269 0.04 1 307 789 31 GLU HA H 3.992 0.04 1 308 789 31 GLU HB2 H 2.525 0.04 1 309 789 31 GLU HB3 H 1.664 0.04 1 310 789 31 GLU HG2 H 2.864 0.04 1 311 789 31 GLU HG3 H 2.322 0.04 1 312 789 31 GLU C C 177.528 0.4 1 313 789 31 GLU CA C 59.051 0.4 1 314 789 31 GLU CB C 28.353 0.4 1 315 789 31 GLU CG C 35.340 0.4 1 316 789 31 GLU N N 118.503 0.4 1 317 790 32 PHE H H 8.636 0.04 1 318 790 32 PHE HA H 3.660 0.04 1 319 790 32 PHE HB2 H 2.802 0.04 1 320 790 32 PHE HB3 H 3.387 0.04 1 321 790 32 PHE HD1 H 5.909 0.04 3 322 790 32 PHE HD2 H 5.909 0.04 3 323 790 32 PHE HE1 H 5.842 0.04 3 324 790 32 PHE HE2 H 5.842 0.04 3 325 790 32 PHE C C 176.103 0.4 1 326 790 32 PHE CA C 62.192 0.4 1 327 790 32 PHE CB C 38.120 0.4 1 328 790 32 PHE CD1 C 130.586 0.4 3 329 790 32 PHE CD2 C 130.586 0.4 3 330 790 32 PHE CE1 C 130.655 0.4 3 331 790 32 PHE CE2 C 130.655 0.4 3 332 790 32 PHE N N 120.943 0.4 1 333 791 33 TRP H H 8.274 0.04 1 334 791 33 TRP HA H 4.080 0.04 1 335 791 33 TRP HB2 H 3.304 0.04 1 336 791 33 TRP HB3 H 3.095 0.04 1 337 791 33 TRP HD1 H 7.364 0.04 1 338 791 33 TRP HE1 H 10.013 0.04 1 339 791 33 TRP HE3 H 6.899 0.04 1 340 791 33 TRP HZ2 H 7.655 0.04 1 341 791 33 TRP HZ3 H 6.741 0.04 1 342 791 33 TRP HH2 H 6.955 0.04 1 343 791 33 TRP C C 177.538 0.4 1 344 791 33 TRP CA C 60.238 0.4 1 345 791 33 TRP CB C 28.758 0.4 1 346 791 33 TRP CD1 C 129.359 0.4 1 347 791 33 TRP CE3 C 121.467 0.4 1 348 791 33 TRP CZ2 C 115.201 0.4 1 349 791 33 TRP CZ3 C 120.496 0.4 1 350 791 33 TRP CH2 C 123.334 0.4 1 351 791 33 TRP N N 119.185 0.4 1 352 791 33 TRP NE1 N 125.879 0.4 1 353 792 34 GLU H H 7.705 0.04 1 354 792 34 GLU HA H 3.952 0.04 1 355 792 34 GLU HB2 H 2.280 0.04 1 356 792 34 GLU HB3 H 2.022 0.04 1 357 792 34 GLU HG2 H 2.586 0.04 1 358 792 34 GLU HG3 H 2.247 0.04 1 359 792 34 GLU C C 180.252 0.4 1 360 792 34 GLU CA C 59.781 0.4 1 361 792 34 GLU CB C 29.308 0.4 1 362 792 34 GLU CG C 36.306 0.4 1 363 792 34 GLU N N 118.385 0.4 1 364 793 35 ILE H H 7.783 0.04 1 365 793 35 ILE HA H 3.427 0.04 1 366 793 35 ILE HB H 1.655 0.04 1 367 793 35 ILE HG12 H 1.649 0.04 1 368 793 35 ILE HG13 H 0.829 0.04 1 369 793 35 ILE HG2 H 0.419 0.04 1 370 793 35 ILE HD1 H 0.832 0.04 1 371 793 35 ILE C C 178.608 0.4 1 372 793 35 ILE CA C 64.249 0.4 1 373 793 35 ILE CB C 37.941 0.4 1 374 793 35 ILE CG1 C 28.812 0.4 1 375 793 35 ILE CG2 C 17.942 0.4 1 376 793 35 ILE CD1 C 14.778 0.4 1 377 793 35 ILE N N 119.146 0.4 1 378 794 36 VAL H H 7.913 0.04 1 379 794 36 VAL HA H 1.869 0.04 1 380 794 36 VAL HB H 1.068 0.04 1 381 794 36 VAL HG1 H -0.040 0.04 2 382 794 36 VAL HG2 H -0.478 0.04 2 383 794 36 VAL C C 178.807 0.4 1 384 794 36 VAL CA C 65.002 0.4 1 385 794 36 VAL CB C 30.546 0.4 1 386 794 36 VAL CG1 C 21.303 0.4 2 387 794 36 VAL CG2 C 21.404 0.4 2 388 794 36 VAL N N 119.188 0.4 1 389 795 37 HIS H H 8.383 0.04 1 390 795 37 HIS HA H 4.594 0.04 1 391 795 37 HIS HB2 H 3.158 0.04 1 392 795 37 HIS HB3 H 3.140 0.04 1 393 795 37 HIS HD2 H 7.252 0.04 1 394 795 37 HIS C C 177.650 0.4 1 395 795 37 HIS CA C 59.068 0.4 1 396 795 37 HIS CB C 29.989 0.4 1 397 795 37 HIS CD2 C 120.073 0.4 1 398 795 37 HIS N N 116.278 0.4 1 399 796 38 SER H H 7.386 0.04 1 400 796 38 SER HA H 4.594 0.04 1 401 796 38 SER HB2 H 4.068 0.04 1 402 796 38 SER HB3 H 4.058 0.04 1 403 796 38 SER C C 174.314 0.4 1 404 796 38 SER CA C 58.953 0.4 1 405 796 38 SER CB C 64.384 0.4 1 406 796 38 SER N N 113.541 0.4 1 407 797 39 PHE H H 7.420 0.04 1 408 797 39 PHE HA H 5.007 0.04 1 409 797 39 PHE HB2 H 3.455 0.04 1 410 797 39 PHE HB3 H 3.455 0.04 1 411 797 39 PHE HD1 H 6.789 0.04 3 412 797 39 PHE HD2 H 6.789 0.04 3 413 797 39 PHE C C 178.017 0.4 1 414 797 39 PHE CA C 53.573 0.4 1 415 797 39 PHE CB C 38.951 0.4 1 416 797 39 PHE CD1 C 129.466 0.4 3 417 797 39 PHE CD2 C 129.466 0.4 3 418 797 39 PHE N N 123.180 0.4 1 419 798 40 THR H H 8.580 0.04 1 420 798 40 THR HA H 4.440 0.04 1 421 798 40 THR HB H 4.802 0.04 1 422 798 40 THR HG2 H 1.357 0.04 1 423 798 40 THR C C 175.369 0.4 1 424 798 40 THR CA C 60.861 0.4 1 425 798 40 THR CB C 70.874 0.4 1 426 798 40 THR CG2 C 21.935 0.4 1 427 798 40 THR N N 111.706 0.4 1 428 799 41 ASP H H 9.131 0.04 1 429 799 41 ASP HA H 4.339 0.04 1 430 799 41 ASP HB2 H 2.729 0.04 1 431 799 41 ASP HB3 H 2.729 0.04 1 432 799 41 ASP C C 178.129 0.4 1 433 799 41 ASP CA C 58.583 0.4 1 434 799 41 ASP CB C 40.054 0.4 1 435 799 41 ASP N N 121.873 0.4 1 436 800 42 GLU H H 8.466 0.04 1 437 800 42 GLU HA H 4.081 0.04 1 438 800 42 GLU HB2 H 2.061 0.04 1 439 800 42 GLU HB3 H 2.061 0.04 1 440 800 42 GLU HG2 H 2.256 0.04 1 441 800 42 GLU HG3 H 2.256 0.04 1 442 800 42 GLU C C 178.843 0.4 1 443 800 42 GLU CA C 59.688 0.4 1 444 800 42 GLU CB C 29.554 0.4 1 445 800 42 GLU CG C 36.028 0.4 1 446 800 42 GLU N N 118.778 0.4 1 447 801 43 GLN H H 7.556 0.04 1 448 801 43 GLN HA H 3.593 0.04 1 449 801 43 GLN HB2 H 2.102 0.04 1 450 801 43 GLN HB3 H 1.691 0.04 1 451 801 43 GLN HG2 H 2.245 0.04 1 452 801 43 GLN HG3 H 1.839 0.04 1 453 801 43 GLN HE21 H 7.252 0.04 1 454 801 43 GLN HE22 H 6.634 0.04 1 455 801 43 GLN C C 178.141 0.4 1 456 801 43 GLN CA C 58.849 0.4 1 457 801 43 GLN CB C 26.101 0.4 1 458 801 43 GLN CG C 34.214 0.4 1 459 801 43 GLN CD C 178.699 0.4 1 460 801 43 GLN N N 118.785 0.4 1 461 801 43 GLN NE2 N 109.817 0.4 1 462 802 44 LYS H H 8.779 0.04 1 463 802 44 LYS HA H 3.895 0.04 1 464 802 44 LYS HB2 H 2.107 0.04 1 465 802 44 LYS HB3 H 1.680 0.04 1 466 802 44 LYS HG2 H 1.648 0.04 1 467 802 44 LYS HG3 H 0.443 0.04 1 468 802 44 LYS HD2 H 1.393 0.04 1 469 802 44 LYS HD3 H 0.972 0.04 1 470 802 44 LYS HE2 H 2.867 0.04 1 471 802 44 LYS HE3 H 2.671 0.04 1 472 802 44 LYS C C 178.786 0.4 1 473 802 44 LYS CA C 61.611 0.4 1 474 802 44 LYS CB C 33.300 0.4 1 475 802 44 LYS CG C 28.702 0.4 1 476 802 44 LYS CD C 29.930 0.4 1 477 802 44 LYS CE C 42.196 0.4 1 478 802 44 LYS N N 119.543 0.4 1 479 803 45 ARG H H 8.020 0.04 1 480 803 45 ARG HA H 4.055 0.04 1 481 803 45 ARG HB2 H 1.699 0.04 1 482 803 45 ARG HB3 H 1.699 0.04 1 483 803 45 ARG HG2 H 2.093 0.04 1 484 803 45 ARG HG3 H 2.093 0.04 1 485 803 45 ARG HD2 H 3.307 0.04 1 486 803 45 ARG HD3 H 3.307 0.04 1 487 803 45 ARG C C 179.095 0.4 1 488 803 45 ARG CA C 60.962 0.4 1 489 803 45 ARG CB C 30.295 0.4 1 490 803 45 ARG CG C 29.222 0.4 1 491 803 45 ARG CD C 43.552 0.4 1 492 803 45 ARG N N 119.198 0.4 1 493 804 46 LEU H H 8.232 0.04 1 494 804 46 LEU HA H 4.148 0.04 1 495 804 46 LEU HB2 H 1.854 0.04 1 496 804 46 LEU HB3 H 1.457 0.04 1 497 804 46 LEU HG H 1.877 0.04 1 498 804 46 LEU HD1 H 0.804 0.04 2 499 804 46 LEU HD2 H 0.952 0.04 2 500 804 46 LEU C C 180.455 0.4 1 501 804 46 LEU CA C 57.831 0.4 1 502 804 46 LEU CB C 41.247 0.4 1 503 804 46 LEU CG C 26.293 0.4 1 504 804 46 LEU CD1 C 25.895 0.4 2 505 804 46 LEU CD2 C 22.193 0.4 2 506 804 46 LEU N N 119.613 0.4 1 507 805 47 PHE H H 9.033 0.04 1 508 805 47 PHE HA H 4.223 0.04 1 509 805 47 PHE HB2 H 3.777 0.04 1 510 805 47 PHE HB3 H 3.374 0.04 1 511 805 47 PHE HD1 H 6.758 0.04 3 512 805 47 PHE HD2 H 6.758 0.04 3 513 805 47 PHE C C 177.806 0.4 1 514 805 47 PHE CA C 62.490 0.4 1 515 805 47 PHE CB C 39.186 0.4 1 516 805 47 PHE CD1 C 130.633 0.4 3 517 805 47 PHE CD2 C 130.633 0.4 3 518 805 47 PHE N N 122.314 0.4 1 519 806 48 LEU H H 8.677 0.04 1 520 806 48 LEU HA H 3.979 0.04 1 521 806 48 LEU HB2 H 2.120 0.04 1 522 806 48 LEU HB3 H 1.949 0.04 1 523 806 48 LEU HG H 2.277 0.04 1 524 806 48 LEU HD1 H 1.005 0.04 2 525 806 48 LEU HD2 H 0.859 0.04 2 526 806 48 LEU C C 180.501 0.4 1 527 806 48 LEU CA C 58.238 0.4 1 528 806 48 LEU CB C 41.536 0.4 1 529 806 48 LEU CG C 27.532 0.4 1 530 806 48 LEU CD1 C 26.136 0.4 2 531 806 48 LEU CD2 C 22.983 0.4 2 532 806 48 LEU N N 122.803 0.4 1 533 807 49 GLN H H 8.685 0.04 1 534 807 49 GLN HA H 3.657 0.04 1 535 807 49 GLN HB2 H 2.104 0.04 1 536 807 49 GLN HB3 H 2.104 0.04 1 537 807 49 GLN HG2 H 2.272 0.04 1 538 807 49 GLN HG3 H 2.180 0.04 1 539 807 49 GLN HE21 H 7.417 0.04 1 540 807 49 GLN HE22 H 6.593 0.04 1 541 807 49 GLN C C 178.473 0.4 1 542 807 49 GLN CA C 59.610 0.4 1 543 807 49 GLN CB C 28.628 0.4 1 544 807 49 GLN CG C 34.088 0.4 1 545 807 49 GLN CD C 178.856 0.4 1 546 807 49 GLN N N 123.265 0.4 1 547 807 49 GLN NE2 N 110.390 0.4 1 548 808 50 PHE H H 8.405 0.04 1 549 808 50 PHE HA H 4.211 0.04 1 550 808 50 PHE HB2 H 3.431 0.04 1 551 808 50 PHE HB3 H 3.076 0.04 1 552 808 50 PHE HD1 H 7.055 0.04 3 553 808 50 PHE HD2 H 7.055 0.04 3 554 808 50 PHE C C 176.066 0.4 1 555 808 50 PHE CA C 60.838 0.4 1 556 808 50 PHE CB C 40.357 0.4 1 557 808 50 PHE N N 120.186 0.4 1 558 809 51 THR H H 7.792 0.04 1 559 809 51 THR HA H 3.666 0.04 1 560 809 51 THR HB H 3.632 0.04 1 561 809 51 THR HG2 H 0.919 0.04 1 562 809 51 THR C C 174.730 0.4 1 563 809 51 THR CA C 65.290 0.4 1 564 809 51 THR CB C 69.728 0.4 1 565 809 51 THR CG2 C 23.197 0.4 1 566 809 51 THR N N 110.055 0.4 1 567 810 52 THR H H 8.147 0.04 1 568 810 52 THR HA H 5.110 0.04 1 569 810 52 THR HB H 4.337 0.04 1 570 810 52 THR HG2 H 1.135 0.04 1 571 810 52 THR C C 176.564 0.4 1 572 810 52 THR CA C 61.353 0.4 1 573 810 52 THR CB C 72.278 0.4 1 574 810 52 THR CG2 C 21.144 0.4 1 575 810 52 THR N N 106.551 0.4 1 576 811 53 GLY H H 7.830 0.04 1 577 811 53 GLY HA2 H 4.375 0.04 1 578 811 53 GLY HA3 H 3.846 0.04 1 579 811 53 GLY C C 173.120 0.4 1 580 811 53 GLY CA C 45.395 0.4 1 581 811 53 GLY N N 110.903 0.4 1 582 812 54 THR H H 7.806 0.04 1 583 812 54 THR HA H 4.789 0.04 1 584 812 54 THR HB H 4.147 0.04 1 585 812 54 THR HG2 H 1.167 0.04 1 586 812 54 THR C C 170.348 0.4 1 587 812 54 THR CA C 59.758 0.4 1 588 812 54 THR CB C 69.742 0.4 1 589 812 54 THR CG2 C 20.064 0.4 1 590 812 54 THR N N 114.808 0.4 1 591 813 55 ASP H H 8.033 0.04 1 592 813 55 ASP HA H 4.650 0.04 1 593 813 55 ASP HB2 H 3.050 0.04 1 594 813 55 ASP HB3 H 2.584 0.04 1 595 813 55 ASP C C 174.921 0.4 1 596 813 55 ASP CA C 52.951 0.4 1 597 813 55 ASP CB C 40.878 0.4 1 598 813 55 ASP N N 120.941 0.4 1 599 814 56 ARG H H 7.652 0.04 1 600 814 56 ARG HA H 4.437 0.04 1 601 814 56 ARG HB2 H 1.802 0.04 1 602 814 56 ARG HB3 H 1.714 0.04 1 603 814 56 ARG HG2 H 1.662 0.04 1 604 814 56 ARG HG3 H 1.662 0.04 1 605 814 56 ARG HD2 H 3.197 0.04 1 606 814 56 ARG HD3 H 3.197 0.04 1 607 814 56 ARG C C 175.473 0.4 1 608 814 56 ARG CA C 54.597 0.4 1 609 814 56 ARG CB C 31.845 0.4 1 610 814 56 ARG CG C 26.452 0.4 1 611 814 56 ARG CD C 43.431 0.4 1 612 814 56 ARG N N 117.910 0.4 1 613 815 57 ALA H H 8.597 0.04 1 614 815 57 ALA HA H 4.358 0.04 1 615 815 57 ALA HB H 1.324 0.04 1 616 815 57 ALA C C 175.230 0.4 1 617 815 57 ALA CA C 50.122 0.4 1 618 815 57 ALA CB C 18.363 0.4 1 619 815 57 ALA N N 125.384 0.4 1 620 816 58 PRO HA H 4.572 0.04 1 621 816 58 PRO HB2 H 2.292 0.04 1 622 816 58 PRO HB3 H 1.903 0.04 1 623 816 58 PRO HG2 H 1.794 0.04 1 624 816 58 PRO HG3 H 1.794 0.04 1 625 816 58 PRO HD2 H 3.733 0.04 1 626 816 58 PRO HD3 H 3.189 0.04 1 627 816 58 PRO C C 177.086 0.4 1 628 816 58 PRO CA C 62.053 0.4 1 629 816 58 PRO CB C 32.084 0.4 1 630 816 58 PRO CG C 27.132 0.4 1 631 816 58 PRO CD C 49.988 0.4 1 632 817 59 VAL H H 8.544 0.04 1 633 817 59 VAL HA H 3.780 0.04 1 634 817 59 VAL HB H 2.000 0.04 1 635 817 59 VAL HG1 H 1.066 0.04 2 636 817 59 VAL HG2 H 0.958 0.04 2 637 817 59 VAL C C 177.400 0.4 1 638 817 59 VAL CA C 65.381 0.4 1 639 817 59 VAL CB C 31.336 0.4 1 640 817 59 VAL CG1 C 21.778 0.4 2 641 817 59 VAL CG2 C 20.904 0.4 2 642 817 59 VAL N N 123.164 0.4 1 643 818 60 GLY H H 8.770 0.04 1 644 818 60 GLY HA2 H 4.209 0.04 1 645 818 60 GLY HA3 H 3.813 0.04 1 646 818 60 GLY C C 175.297 0.4 1 647 818 60 GLY CA C 44.935 0.4 1 648 818 60 GLY N N 113.972 0.4 1 649 819 61 GLY H H 8.215 0.04 1 650 819 61 GLY HA2 H 4.551 0.04 1 651 819 61 GLY HA3 H 3.854 0.04 1 652 819 61 GLY C C 174.259 0.4 1 653 819 61 GLY CA C 44.573 0.4 1 654 819 61 GLY N N 108.620 0.4 1 655 820 62 LEU H H 8.870 0.04 1 656 820 62 LEU HA H 3.911 0.04 1 657 820 62 LEU HB2 H 1.844 0.04 1 658 820 62 LEU HB3 H 1.523 0.04 1 659 820 62 LEU HG H 1.928 0.04 1 660 820 62 LEU HD1 H 0.878 0.04 2 661 820 62 LEU HD2 H 0.886 0.04 2 662 820 62 LEU C C 177.963 0.4 1 663 820 62 LEU CA C 57.267 0.4 1 664 820 62 LEU CB C 41.577 0.4 1 665 820 62 LEU CG C 27.536 0.4 1 666 820 62 LEU CD1 C 26.797 0.4 2 667 820 62 LEU CD2 C 24.287 0.4 2 668 820 62 LEU N N 116.630 0.4 1 669 821 63 GLY H H 8.793 0.04 1 670 821 63 GLY HA2 H 4.025 0.04 1 671 821 63 GLY HA3 H 3.751 0.04 1 672 821 63 GLY C C 175.856 0.4 1 673 821 63 GLY CA C 46.119 0.4 1 674 821 63 GLY N N 104.837 0.4 1 675 822 64 LYS H H 7.606 0.04 1 676 822 64 LYS HA H 4.300 0.04 1 677 822 64 LYS HB2 H 2.041 0.04 1 678 822 64 LYS HB3 H 1.861 0.04 1 679 822 64 LYS HG2 H 1.670 0.04 1 680 822 64 LYS HG3 H 1.318 0.04 1 681 822 64 LYS HD2 H 1.638 0.04 1 682 822 64 LYS HD3 H 1.638 0.04 1 683 822 64 LYS HE2 H 3.060 0.04 1 684 822 64 LYS HE3 H 2.962 0.04 1 685 822 64 LYS C C 177.143 0.4 1 686 822 64 LYS CA C 54.839 0.4 1 687 822 64 LYS CB C 31.470 0.4 1 688 822 64 LYS CG C 24.276 0.4 1 689 822 64 LYS CD C 27.560 0.4 1 690 822 64 LYS CE C 42.347 0.4 1 691 822 64 LYS N N 117.001 0.4 1 692 823 65 LEU H H 7.588 0.04 1 693 823 65 LEU HA H 4.069 0.04 1 694 823 65 LEU HB2 H 1.733 0.04 1 695 823 65 LEU HB3 H 1.503 0.04 1 696 823 65 LEU HG H 1.550 0.04 1 697 823 65 LEU HD1 H 0.934 0.04 2 698 823 65 LEU HD2 H 0.901 0.04 2 699 823 65 LEU C C 175.764 0.4 1 700 823 65 LEU CA C 55.928 0.4 1 701 823 65 LEU CB C 42.792 0.4 1 702 823 65 LEU CG C 27.514 0.4 1 703 823 65 LEU CD1 C 25.840 0.4 2 704 823 65 LEU CD2 C 24.363 0.4 2 705 823 65 LEU N N 121.027 0.4 1 706 824 66 LYS H H 7.750 0.04 1 707 824 66 LYS HA H 4.095 0.04 1 708 824 66 LYS HB2 H 1.865 0.04 1 709 824 66 LYS HB3 H 1.739 0.04 1 710 824 66 LYS HG2 H 1.481 0.04 1 711 824 66 LYS HG3 H 1.349 0.04 1 712 824 66 LYS HD2 H 1.733 0.04 1 713 824 66 LYS HD3 H 1.733 0.04 1 714 824 66 LYS HE2 H 3.044 0.04 1 715 824 66 LYS HE3 H 3.044 0.04 1 716 824 66 LYS C C 174.886 0.4 1 717 824 66 LYS CA C 55.942 0.4 1 718 824 66 LYS CB C 30.434 0.4 1 719 824 66 LYS CG C 24.436 0.4 1 720 824 66 LYS CD C 28.602 0.4 1 721 824 66 LYS CE C 41.915 0.4 1 722 824 66 LYS N N 118.872 0.4 1 723 825 67 MET H H 8.384 0.04 1 724 825 67 MET HA H 4.726 0.04 1 725 825 67 MET HB2 H 1.739 0.04 1 726 825 67 MET HB3 H 1.739 0.04 1 727 825 67 MET HG2 H 2.525 0.04 1 728 825 67 MET HG3 H 2.406 0.04 1 729 825 67 MET HE H 2.198 0.04 1 730 825 67 MET C C 174.429 0.4 1 731 825 67 MET CA C 55.829 0.4 1 732 825 67 MET CB C 35.354 0.4 1 733 825 67 MET CG C 31.978 0.4 1 734 825 67 MET CE C 17.635 0.4 1 735 825 67 MET N N 122.751 0.4 1 736 826 68 ILE H H 8.286 0.04 1 737 826 68 ILE HA H 4.874 0.04 1 738 826 68 ILE HB H 1.657 0.04 1 739 826 68 ILE HG12 H 1.581 0.04 1 740 826 68 ILE HG13 H 0.986 0.04 1 741 826 68 ILE HG2 H 0.674 0.04 1 742 826 68 ILE HD1 H 0.811 0.04 1 743 826 68 ILE C C 175.321 0.4 1 744 826 68 ILE CA C 58.733 0.4 1 745 826 68 ILE CB C 41.457 0.4 1 746 826 68 ILE CG1 C 27.790 0.4 1 747 826 68 ILE CG2 C 17.048 0.4 1 748 826 68 ILE CD1 C 13.665 0.4 1 749 826 68 ILE N N 125.363 0.4 1 750 827 69 ILE H H 8.449 0.04 1 751 827 69 ILE HA H 4.913 0.04 1 752 827 69 ILE HB H 1.895 0.04 1 753 827 69 ILE HG12 H 1.474 0.04 1 754 827 69 ILE HG13 H 0.809 0.04 1 755 827 69 ILE HG2 H 0.576 0.04 1 756 827 69 ILE HD1 H 0.255 0.04 1 757 827 69 ILE C C 173.977 0.4 1 758 827 69 ILE CA C 60.929 0.4 1 759 827 69 ILE CB C 37.917 0.4 1 760 827 69 ILE CG1 C 26.920 0.4 1 761 827 69 ILE CG2 C 18.051 0.4 1 762 827 69 ILE CD1 C 13.850 0.4 1 763 827 69 ILE N N 124.955 0.4 1 764 828 70 ALA H H 9.254 0.04 1 765 828 70 ALA HA H 5.086 0.04 1 766 828 70 ALA HB H 1.172 0.04 1 767 828 70 ALA C C 175.837 0.4 1 768 828 70 ALA CA C 48.764 0.4 1 769 828 70 ALA CB C 22.205 0.4 1 770 828 70 ALA N N 130.174 0.4 1 771 829 71 LYS H H 7.306 0.04 1 772 829 71 LYS HA H 3.952 0.04 1 773 829 71 LYS HB2 H 1.355 0.04 1 774 829 71 LYS HB3 H -0.244 0.04 1 775 829 71 LYS HG2 H 1.058 0.04 1 776 829 71 LYS HG3 H 1.058 0.04 1 777 829 71 LYS HD2 H 1.300 0.04 1 778 829 71 LYS HD3 H 1.300 0.04 1 779 829 71 LYS HE2 H 2.526 0.04 1 780 829 71 LYS HE3 H 2.526 0.04 1 781 829 71 LYS C C 176.129 0.4 1 782 829 71 LYS CA C 57.737 0.4 1 783 829 71 LYS CB C 30.941 0.4 1 784 829 71 LYS CG C 25.201 0.4 1 785 829 71 LYS CD C 28.944 0.4 1 786 829 71 LYS CE C 42.007 0.4 1 787 829 71 LYS N N 124.102 0.4 1 788 830 72 ASN H H 7.203 0.04 1 789 830 72 ASN HA H 5.130 0.04 1 790 830 72 ASN HB2 H 2.178 0.04 1 791 830 72 ASN HB3 H 2.093 0.04 1 792 830 72 ASN HD21 H 7.420 0.04 1 793 830 72 ASN HD22 H 6.947 0.04 1 794 830 72 ASN C C 173.836 0.4 1 795 830 72 ASN CA C 50.455 0.4 1 796 830 72 ASN CB C 40.149 0.4 1 797 830 72 ASN CG C 175.830 0.4 1 798 830 72 ASN N N 125.853 0.4 1 799 830 72 ASN ND2 N 111.367 0.4 1 800 831 73 GLY H H 7.723 0.04 1 801 831 73 GLY HA2 H 4.298 0.04 1 802 831 73 GLY HA3 H 3.769 0.04 1 803 831 73 GLY C C 169.985 0.4 1 804 831 73 GLY CA C 44.826 0.4 1 805 831 73 GLY N N 108.758 0.4 1 806 832 74 PRO HA H 4.726 0.04 1 807 832 74 PRO HB2 H 2.287 0.04 1 808 832 74 PRO HB3 H 2.203 0.04 1 809 832 74 PRO HG2 H 2.047 0.04 1 810 832 74 PRO HG3 H 1.745 0.04 1 811 832 74 PRO HD2 H 3.559 0.04 1 812 832 74 PRO HD3 H 3.408 0.04 1 813 832 74 PRO C C 174.521 0.4 1 814 832 74 PRO CA C 61.993 0.4 1 815 832 74 PRO CB C 33.553 0.4 1 816 832 74 PRO CG C 26.242 0.4 1 817 832 74 PRO CD C 48.970 0.4 1 818 833 75 ASP H H 7.877 0.04 1 819 833 75 ASP HA H 3.835 0.04 1 820 833 75 ASP HB2 H 2.985 0.04 1 821 833 75 ASP HB3 H 2.531 0.04 1 822 833 75 ASP C C 174.403 0.4 1 823 833 75 ASP CA C 57.621 0.4 1 824 833 75 ASP CB C 42.447 0.4 1 825 833 75 ASP N N 115.884 0.4 1 826 834 76 THR H H 7.179 0.04 1 827 834 76 THR HA H 4.718 0.04 1 828 834 76 THR HB H 4.306 0.04 1 829 834 76 THR HG2 H 1.238 0.04 1 830 834 76 THR C C 172.412 0.4 1 831 834 76 THR CA C 59.333 0.4 1 832 834 76 THR CB C 68.482 0.4 1 833 834 76 THR CG2 C 20.556 0.4 1 834 834 76 THR N N 118.041 0.4 1 835 835 77 GLU H H 8.312 0.04 1 836 835 77 GLU HA H 4.592 0.04 1 837 835 77 GLU HB2 H 2.223 0.04 1 838 835 77 GLU HB3 H 1.991 0.04 1 839 835 77 GLU HG2 H 2.354 0.04 1 840 835 77 GLU HG3 H 2.354 0.04 1 841 835 77 GLU C C 177.902 0.4 1 842 835 77 GLU CA C 56.381 0.4 1 843 835 77 GLU CB C 29.747 0.4 1 844 835 77 GLU CG C 36.463 0.4 1 845 835 77 GLU N N 121.413 0.4 1 846 836 78 ARG H H 8.449 0.04 1 847 836 78 ARG HA H 4.255 0.04 1 848 836 78 ARG HB2 H 2.017 0.04 1 849 836 78 ARG HB3 H 1.852 0.04 1 850 836 78 ARG HG2 H 1.856 0.04 1 851 836 78 ARG HG3 H 1.782 0.04 1 852 836 78 ARG HD2 H 3.294 0.04 1 853 836 78 ARG HD3 H 3.294 0.04 1 854 836 78 ARG C C 176.088 0.4 1 855 836 78 ARG CA C 57.275 0.4 1 856 836 78 ARG CB C 30.730 0.4 1 857 836 78 ARG CG C 27.849 0.4 1 858 836 78 ARG CD C 43.349 0.4 1 859 836 78 ARG N N 121.819 0.4 1 860 837 79 LEU H H 8.447 0.04 1 861 837 79 LEU HA H 4.443 0.04 1 862 837 79 LEU HB2 H 1.822 0.04 1 863 837 79 LEU HB3 H 1.634 0.04 1 864 837 79 LEU HG H 1.720 0.04 1 865 837 79 LEU HD1 H 1.035 0.04 2 866 837 79 LEU HD2 H 0.968 0.04 2 867 837 79 LEU C C 174.951 0.4 1 868 837 79 LEU CA C 53.641 0.4 1 869 837 79 LEU CB C 41.304 0.4 1 870 837 79 LEU CG C 26.910 0.4 1 871 837 79 LEU CD1 C 23.565 0.4 2 872 837 79 LEU CD2 C 25.043 0.4 2 873 837 79 LEU N N 120.676 0.4 1 874 838 80 PRO HA H 4.929 0.04 1 875 838 80 PRO HB2 H 2.148 0.04 1 876 838 80 PRO HB3 H 1.909 0.04 1 877 838 80 PRO HG2 H 2.669 0.04 1 878 838 80 PRO HG3 H 1.984 0.04 1 879 838 80 PRO HD2 H 4.297 0.04 1 880 838 80 PRO HD3 H 3.544 0.04 1 881 838 80 PRO C C 174.141 0.4 1 882 838 80 PRO CA C 63.100 0.4 1 883 838 80 PRO CB C 32.869 0.4 1 884 838 80 PRO CG C 27.791 0.4 1 885 838 80 PRO CD C 50.028 0.4 1 886 839 81 THR H H 8.161 0.04 1 887 839 81 THR HA H 4.954 0.04 1 888 839 81 THR HB H 4.368 0.04 1 889 839 81 THR HG2 H 1.297 0.04 1 890 839 81 THR C C 172.327 0.4 1 891 839 81 THR CA C 60.013 0.4 1 892 839 81 THR CB C 72.198 0.4 1 893 839 81 THR CG2 C 22.540 0.4 1 894 839 81 THR N N 110.540 0.4 1 895 840 82 SER H H 8.319 0.04 1 896 840 82 SER HA H 5.339 0.04 1 897 840 82 SER HB2 H 3.662 0.04 1 898 840 82 SER HB3 H 3.183 0.04 1 899 840 82 SER C C 174.222 0.4 1 900 840 82 SER CA C 55.783 0.4 1 901 840 82 SER CB C 66.505 0.4 1 902 840 82 SER N N 112.729 0.4 1 903 841 83 HIS H H 8.921 0.04 1 904 841 83 HIS HA H 5.267 0.04 1 905 841 83 HIS HB2 H 3.278 0.04 1 906 841 83 HIS HB3 H 3.107 0.04 1 907 841 83 HIS HD2 H 7.097 0.04 1 908 841 83 HIS C C 176.917 0.4 1 909 841 83 HIS CA C 53.389 0.4 1 910 841 83 HIS CB C 30.513 0.4 1 911 841 83 HIS CD2 C 118.766 0.4 1 912 841 83 HIS N N 119.708 0.4 1 913 842 84 THR H H 8.768 0.04 1 914 842 84 THR HA H 4.211 0.04 1 915 842 84 THR HB H 3.841 0.04 1 916 842 84 THR HG2 H 1.048 0.04 1 917 842 84 THR C C 177.071 0.4 1 918 842 84 THR CA C 64.989 0.4 1 919 842 84 THR CB C 68.297 0.4 1 920 842 84 THR CG2 C 22.191 0.4 1 921 842 84 THR N N 117.942 0.4 1 922 843 85 CYS H H 8.376 0.04 1 923 843 85 CYS HA H 4.175 0.04 1 924 843 85 CYS HB2 H 2.514 0.04 1 925 843 85 CYS HB3 H 2.589 0.04 1 926 843 85 CYS C C 174.473 0.4 1 927 843 85 CYS CA C 60.355 0.4 1 928 843 85 CYS CB C 26.831 0.4 1 929 843 85 CYS N N 117.899 0.4 1 930 844 86 PHE H H 7.125 0.04 1 931 844 86 PHE HA H 4.958 0.04 1 932 844 86 PHE HB2 H 3.567 0.04 1 933 844 86 PHE HB3 H 2.512 0.04 1 934 844 86 PHE HD1 H 7.064 0.04 3 935 844 86 PHE HD2 H 7.064 0.04 3 936 844 86 PHE C C 173.925 0.4 1 937 844 86 PHE CA C 55.883 0.4 1 938 844 86 PHE CB C 41.257 0.4 1 939 844 86 PHE CD1 C 131.563 0.4 3 940 844 86 PHE CD2 C 131.563 0.4 3 941 844 86 PHE N N 116.606 0.4 1 942 845 87 ASN H H 7.849 0.04 1 943 845 87 ASN HA H 4.559 0.04 1 944 845 87 ASN HB2 H 3.277 0.04 1 945 845 87 ASN HB3 H 2.579 0.04 1 946 845 87 ASN HD21 H 7.445 0.04 1 947 845 87 ASN HD22 H 6.637 0.04 1 948 845 87 ASN C C 172.610 0.4 1 949 845 87 ASN CA C 54.016 0.4 1 950 845 87 ASN CB C 37.097 0.4 1 951 845 87 ASN CG C 176.327 0.4 1 952 845 87 ASN N N 117.500 0.4 1 953 845 87 ASN ND2 N 110.707 0.4 1 954 846 88 VAL H H 7.319 0.04 1 955 846 88 VAL HA H 4.971 0.04 1 956 846 88 VAL HB H 1.885 0.04 1 957 846 88 VAL HG1 H 0.967 0.04 2 958 846 88 VAL HG2 H 0.812 0.04 2 959 846 88 VAL C C 174.724 0.4 1 960 846 88 VAL CA C 60.259 0.4 1 961 846 88 VAL CB C 35.219 0.4 1 962 846 88 VAL CG1 C 21.976 0.4 2 963 846 88 VAL CG2 C 21.271 0.4 2 964 846 88 VAL N N 115.106 0.4 1 965 847 89 LEU H H 9.319 0.04 1 966 847 89 LEU HA H 4.673 0.04 1 967 847 89 LEU HB2 H 2.089 0.04 1 968 847 89 LEU HB3 H 1.347 0.04 1 969 847 89 LEU HG H 1.186 0.04 1 970 847 89 LEU HD1 H 1.159 0.04 2 971 847 89 LEU HD2 H 1.003 0.04 2 972 847 89 LEU C C 173.863 0.4 1 973 847 89 LEU CA C 53.481 0.4 1 974 847 89 LEU CB C 44.059 0.4 1 975 847 89 LEU CG C 27.641 0.4 1 976 847 89 LEU CD1 C 23.852 0.4 2 977 847 89 LEU CD2 C 24.032 0.4 2 978 847 89 LEU N N 129.440 0.4 1 979 848 90 LEU H H 9.093 0.04 1 980 848 90 LEU HA H 4.857 0.04 1 981 848 90 LEU HB2 H 2.015 0.04 1 982 848 90 LEU HB3 H 0.953 0.04 1 983 848 90 LEU HG H 1.305 0.04 1 984 848 90 LEU HD1 H 0.634 0.04 2 985 848 90 LEU HD2 H 0.485 0.04 2 986 848 90 LEU C C 174.963 0.4 1 987 848 90 LEU CA C 54.713 0.4 1 988 848 90 LEU CB C 40.333 0.4 1 989 848 90 LEU CG C 27.749 0.4 1 990 848 90 LEU CD1 C 24.892 0.4 2 991 848 90 LEU CD2 C 25.172 0.4 2 992 848 90 LEU N N 129.254 0.4 1 993 849 91 LEU H H 8.672 0.04 1 994 849 91 LEU HA H 5.086 0.04 1 995 849 91 LEU HB2 H 1.962 0.04 1 996 849 91 LEU HB3 H 1.097 0.04 1 997 849 91 LEU HG H 1.821 0.04 1 998 849 91 LEU HD1 H 0.999 0.04 2 999 849 91 LEU HD2 H 0.588 0.04 2 1000 849 91 LEU C C 174.780 0.4 1 1001 849 91 LEU CA C 50.814 0.4 1 1002 849 91 LEU CB C 46.552 0.4 1 1003 849 91 LEU CG C 26.290 0.4 1 1004 849 91 LEU CD1 C 24.708 0.4 2 1005 849 91 LEU CD2 C 25.644 0.4 2 1006 849 91 LEU N N 125.692 0.4 1 1007 850 92 PRO HA H 3.947 0.04 1 1008 850 92 PRO HB2 H 1.981 0.04 1 1009 850 92 PRO HB3 H 0.333 0.04 1 1010 850 92 PRO HG2 H 1.805 0.04 1 1011 850 92 PRO HG3 H 1.595 0.04 1 1012 850 92 PRO HD2 H 4.203 0.04 1 1013 850 92 PRO HD3 H 3.445 0.04 1 1014 850 92 PRO C C 173.539 0.4 1 1015 850 92 PRO CA C 62.463 0.4 1 1016 850 92 PRO CB C 33.116 0.4 1 1017 850 92 PRO CG C 27.342 0.4 1 1018 850 92 PRO CD C 51.407 0.4 1 1019 851 93 GLU H H 7.993 0.04 1 1020 851 93 GLU HA H 4.524 0.04 1 1021 851 93 GLU HB2 H 1.959 0.04 1 1022 851 93 GLU HB3 H 1.745 0.04 1 1023 851 93 GLU HG2 H 2.363 0.04 1 1024 851 93 GLU HG3 H 2.225 0.04 1 1025 851 93 GLU C C 175.085 0.4 1 1026 851 93 GLU CA C 54.175 0.4 1 1027 851 93 GLU CB C 28.711 0.4 1 1028 851 93 GLU CG C 37.732 0.4 1 1029 851 93 GLU N N 121.599 0.4 1 1030 852 94 TYR H H 7.391 0.04 1 1031 852 94 TYR HA H 5.069 0.04 1 1032 852 94 TYR HB2 H 3.179 0.04 1 1033 852 94 TYR HB3 H 2.582 0.04 1 1034 852 94 TYR HD1 H 7.411 0.04 3 1035 852 94 TYR HD2 H 7.411 0.04 3 1036 852 94 TYR HE1 H 6.941 0.04 3 1037 852 94 TYR HE2 H 6.941 0.04 3 1038 852 94 TYR C C 176.784 0.4 1 1039 852 94 TYR CA C 58.855 0.4 1 1040 852 94 TYR CB C 40.435 0.4 1 1041 852 94 TYR CD1 C 132.612 0.4 3 1042 852 94 TYR CD2 C 132.612 0.4 3 1043 852 94 TYR CE1 C 118.459 0.4 3 1044 852 94 TYR CE2 C 118.459 0.4 3 1045 852 94 TYR N N 121.851 0.4 1 1046 853 95 SER H H 7.861 0.04 1 1047 853 95 SER HA H 4.270 0.04 1 1048 853 95 SER HB2 H 4.180 0.04 1 1049 853 95 SER HB3 H 3.879 0.04 1 1050 853 95 SER C C 174.040 0.4 1 1051 853 95 SER CA C 59.442 0.4 1 1052 853 95 SER CB C 64.401 0.4 1 1053 853 95 SER N N 110.564 0.4 1 1054 854 96 SER H H 7.219 0.04 1 1055 854 96 SER HA H 4.925 0.04 1 1056 854 96 SER HB2 H 4.288 0.04 1 1057 854 96 SER HB3 H 4.072 0.04 1 1058 854 96 SER C C 173.807 0.4 1 1059 854 96 SER CA C 57.445 0.4 1 1060 854 96 SER CB C 66.619 0.4 1 1061 854 96 SER N N 112.162 0.4 1 1062 855 97 LYS H H 9.051 0.04 1 1063 855 97 LYS HA H 3.865 0.04 1 1064 855 97 LYS HB2 H 1.779 0.04 1 1065 855 97 LYS HB3 H 1.779 0.04 1 1066 855 97 LYS HG2 H 1.381 0.04 1 1067 855 97 LYS HG3 H 1.255 0.04 1 1068 855 97 LYS HD2 H 1.701 0.04 1 1069 855 97 LYS HD3 H 1.701 0.04 1 1070 855 97 LYS HE2 H 2.939 0.04 1 1071 855 97 LYS HE3 H 2.939 0.04 1 1072 855 97 LYS C C 177.673 0.4 1 1073 855 97 LYS CA C 59.411 0.4 1 1074 855 97 LYS CB C 32.601 0.4 1 1075 855 97 LYS CG C 25.520 0.4 1 1076 855 97 LYS CD C 29.823 0.4 1 1077 855 97 LYS CE C 41.952 0.4 1 1078 855 97 LYS N N 122.337 0.4 1 1079 856 98 GLU H H 8.725 0.04 1 1080 856 98 GLU HA H 3.926 0.04 1 1081 856 98 GLU HB2 H 2.058 0.04 1 1082 856 98 GLU HB3 H 1.933 0.04 1 1083 856 98 GLU HG2 H 2.454 0.04 1 1084 856 98 GLU HG3 H 2.277 0.04 1 1085 856 98 GLU C C 179.008 0.4 1 1086 856 98 GLU CA C 60.206 0.4 1 1087 856 98 GLU CB C 28.418 0.4 1 1088 856 98 GLU CG C 36.811 0.4 1 1089 856 98 GLU N N 118.848 0.4 1 1090 857 99 LYS H H 7.883 0.04 1 1091 857 99 LYS HA H 4.101 0.04 1 1092 857 99 LYS HB2 H 1.830 0.04 1 1093 857 99 LYS HB3 H 1.696 0.04 1 1094 857 99 LYS HG2 H 1.349 0.04 1 1095 857 99 LYS HG3 H 1.349 0.04 1 1096 857 99 LYS HD2 H 1.840 0.04 1 1097 857 99 LYS HD3 H 1.840 0.04 1 1098 857 99 LYS HE2 H 3.078 0.04 1 1099 857 99 LYS HE3 H 3.078 0.04 1 1100 857 99 LYS C C 177.118 0.4 1 1101 857 99 LYS CA C 59.539 0.4 1 1102 857 99 LYS CB C 33.727 0.4 1 1103 857 99 LYS CG C 25.468 0.4 1 1104 857 99 LYS CD C 30.731 0.4 1 1105 857 99 LYS CE C 42.320 0.4 1 1106 857 99 LYS N N 121.843 0.4 1 1107 858 100 LEU H H 7.780 0.04 1 1108 858 100 LEU HA H 3.802 0.04 1 1109 858 100 LEU HB2 H 2.205 0.04 1 1110 858 100 LEU HB3 H 1.682 0.04 1 1111 858 100 LEU HG H 1.613 0.04 1 1112 858 100 LEU HD1 H 1.096 0.04 2 1113 858 100 LEU HD2 H 1.352 0.04 2 1114 858 100 LEU C C 177.002 0.4 1 1115 858 100 LEU CA C 58.588 0.4 1 1116 858 100 LEU CB C 40.956 0.4 1 1117 858 100 LEU CG C 28.191 0.4 1 1118 858 100 LEU CD1 C 27.015 0.4 2 1119 858 100 LEU CD2 C 25.707 0.4 2 1120 858 100 LEU N N 118.740 0.4 1 1121 859 101 LYS H H 8.349 0.04 1 1122 859 101 LYS HA H 3.662 0.04 1 1123 859 101 LYS HB2 H 1.982 0.04 1 1124 859 101 LYS HB3 H 1.713 0.04 1 1125 859 101 LYS HG2 H 1.480 0.04 1 1126 859 101 LYS HG3 H 1.227 0.04 1 1127 859 101 LYS HD2 H 1.694 0.04 1 1128 859 101 LYS HD3 H 1.694 0.04 1 1129 859 101 LYS HE2 H 2.966 0.04 1 1130 859 101 LYS HE3 H 2.966 0.04 1 1131 859 101 LYS C C 176.703 0.4 1 1132 859 101 LYS CA C 61.066 0.4 1 1133 859 101 LYS CB C 32.543 0.4 1 1134 859 101 LYS CG C 25.225 0.4 1 1135 859 101 LYS CD C 29.780 0.4 1 1136 859 101 LYS CE C 42.192 0.4 1 1137 859 101 LYS N N 117.093 0.4 1 1138 860 102 GLU H H 7.778 0.04 1 1139 860 102 GLU HA H 3.913 0.04 1 1140 860 102 GLU HB2 H 2.053 0.04 1 1141 860 102 GLU HB3 H 1.953 0.04 1 1142 860 102 GLU HG2 H 2.462 0.04 1 1143 860 102 GLU HG3 H 2.224 0.04 1 1144 860 102 GLU C C 179.773 0.4 1 1145 860 102 GLU CA C 60.219 0.4 1 1146 860 102 GLU CB C 29.280 0.4 1 1147 860 102 GLU CG C 35.439 0.4 1 1148 860 102 GLU N N 117.942 0.4 1 1149 861 103 ARG H H 8.576 0.04 1 1150 861 103 ARG HA H 4.013 0.04 1 1151 861 103 ARG HB2 H 1.739 0.04 1 1152 861 103 ARG HB3 H 1.739 0.04 1 1153 861 103 ARG HG2 H 1.773 0.04 1 1154 861 103 ARG HG3 H 0.852 0.04 1 1155 861 103 ARG HD2 H 2.998 0.04 1 1156 861 103 ARG HD3 H 2.922 0.04 1 1157 861 103 ARG C C 178.762 0.4 1 1158 861 103 ARG CA C 58.591 0.4 1 1159 861 103 ARG CB C 32.727 0.4 1 1160 861 103 ARG CG C 25.520 0.4 1 1161 861 103 ARG CD C 44.428 0.4 1 1162 861 103 ARG N N 118.366 0.4 1 1163 862 104 LEU H H 8.700 0.04 1 1164 862 104 LEU HA H 4.026 0.04 1 1165 862 104 LEU HB2 H 2.021 0.04 1 1166 862 104 LEU HB3 H 1.698 0.04 1 1167 862 104 LEU HG H 1.779 0.04 1 1168 862 104 LEU HD1 H 1.072 0.04 2 1169 862 104 LEU HD2 H 0.922 0.04 2 1170 862 104 LEU C C 178.477 0.4 1 1171 862 104 LEU CA C 58.549 0.4 1 1172 862 104 LEU CB C 42.991 0.4 1 1173 862 104 LEU CG C 27.590 0.4 1 1174 862 104 LEU CD1 C 23.594 0.4 2 1175 862 104 LEU CD2 C 26.387 0.4 2 1176 862 104 LEU N N 118.809 0.4 1 1177 863 105 LEU H H 8.584 0.04 1 1178 863 105 LEU HA H 3.985 0.04 1 1179 863 105 LEU HB2 H 1.976 0.04 1 1180 863 105 LEU HB3 H 1.340 0.04 1 1181 863 105 LEU HG H 1.746 0.04 1 1182 863 105 LEU HD1 H 0.592 0.04 2 1183 863 105 LEU HD2 H 0.816 0.04 2 1184 863 105 LEU C C 180.141 0.4 1 1185 863 105 LEU CA C 57.884 0.4 1 1186 863 105 LEU CB C 41.237 0.4 1 1187 863 105 LEU CG C 27.612 0.4 1 1188 863 105 LEU CD1 C 23.337 0.4 2 1189 863 105 LEU CD2 C 25.463 0.4 2 1190 863 105 LEU N N 117.021 0.4 1 1191 864 106 LYS H H 7.943 0.04 1 1192 864 106 LYS HA H 3.951 0.04 1 1193 864 106 LYS HB2 H 1.920 0.04 1 1194 864 106 LYS HB3 H 1.920 0.04 1 1195 864 106 LYS HG2 H 1.480 0.04 1 1196 864 106 LYS HG3 H 1.480 0.04 1 1197 864 106 LYS HD2 H 1.699 0.04 1 1198 864 106 LYS HD3 H 1.699 0.04 1 1199 864 106 LYS HE2 H 2.962 0.04 1 1200 864 106 LYS HE3 H 2.962 0.04 1 1201 864 106 LYS C C 178.267 0.4 1 1202 864 106 LYS CA C 59.135 0.4 1 1203 864 106 LYS CB C 31.913 0.4 1 1204 864 106 LYS CG C 25.362 0.4 1 1205 864 106 LYS CD C 28.794 0.4 1 1206 864 106 LYS CE C 42.165 0.4 1 1207 864 106 LYS N N 120.590 0.4 1 1208 865 107 ALA H H 7.896 0.04 1 1209 865 107 ALA HA H 4.092 0.04 1 1210 865 107 ALA HB H 1.332 0.04 1 1211 865 107 ALA C C 179.700 0.4 1 1212 865 107 ALA CA C 54.889 0.4 1 1213 865 107 ALA CB C 18.665 0.4 1 1214 865 107 ALA N N 119.673 0.4 1 1215 866 108 ILE H H 7.770 0.04 1 1216 866 108 ILE HA H 3.890 0.04 1 1217 866 108 ILE HB H 1.839 0.04 1 1218 866 108 ILE HG12 H 1.229 0.04 1 1219 866 108 ILE HG13 H 1.645 0.04 1 1220 866 108 ILE HG2 H 0.701 0.04 1 1221 866 108 ILE HD1 H 0.684 0.04 1 1222 866 108 ILE C C 176.516 0.4 1 1223 866 108 ILE CA C 63.326 0.4 1 1224 866 108 ILE CB C 37.048 0.4 1 1225 866 108 ILE CG1 C 25.138 0.4 1 1226 866 108 ILE CG2 C 16.079 0.4 1 1227 866 108 ILE CD1 C 14.139 0.4 1 1228 866 108 ILE N N 106.997 0.4 1 1229 867 109 THR H H 7.430 0.04 1 1230 867 109 THR HA H 4.164 0.04 1 1231 867 109 THR HB H 4.164 0.04 1 1232 867 109 THR HG2 H 1.079 0.04 1 1233 867 109 THR C C 175.259 0.4 1 1234 867 109 THR CA C 64.054 0.4 1 1235 867 109 THR CB C 69.231 0.4 1 1236 867 109 THR CG2 C 21.298 0.4 1 1237 867 109 THR N N 113.535 0.4 1 1238 868 110 TYR H H 7.599 0.04 1 1239 868 110 TYR HA H 4.490 0.04 1 1240 868 110 TYR HB2 H 3.105 0.04 1 1241 868 110 TYR HB3 H 3.105 0.04 1 1242 868 110 TYR HD1 H 7.186 0.04 3 1243 868 110 TYR HD2 H 7.186 0.04 3 1244 868 110 TYR HE1 H 6.871 0.04 3 1245 868 110 TYR HE2 H 6.871 0.04 3 1246 868 110 TYR C C 176.112 0.4 1 1247 868 110 TYR CA C 59.007 0.4 1 1248 868 110 TYR CB C 37.985 0.4 1 1249 868 110 TYR CD1 C 133.225 0.4 3 1250 868 110 TYR CD2 C 133.225 0.4 3 1251 868 110 TYR CE1 C 118.234 0.4 3 1252 868 110 TYR CE2 C 118.234 0.4 3 1253 868 110 TYR N N 121.899 0.4 1 1254 869 111 ALA H H 7.854 0.04 1 1255 869 111 ALA HA H 4.257 0.04 1 1256 869 111 ALA HB H 1.499 0.04 1 1257 869 111 ALA C C 177.552 0.4 1 1258 869 111 ALA CA C 53.027 0.4 1 1259 869 111 ALA CB C 19.253 0.4 1 1260 869 111 ALA N N 123.545 0.4 1 1261 870 112 LYS H H 8.001 0.04 1 1262 870 112 LYS HA H 4.259 0.04 1 1263 870 112 LYS HB2 H 1.742 0.04 1 1264 870 112 LYS HB3 H 1.742 0.04 1 1265 870 112 LYS HG2 H 1.468 0.04 1 1266 870 112 LYS HG3 H 1.468 0.04 1 1267 870 112 LYS HD2 H 1.709 0.04 1 1268 870 112 LYS HD3 H 1.709 0.04 1 1269 870 112 LYS HE2 H 3.015 0.04 1 1270 870 112 LYS HE3 H 3.015 0.04 1 1271 870 112 LYS C C 177.075 0.4 1 1272 870 112 LYS CA C 56.714 0.4 1 1273 870 112 LYS CB C 32.873 0.4 1 1274 870 112 LYS CG C 24.729 0.4 1 1275 870 112 LYS CD C 28.942 0.4 1 1276 870 112 LYS CE C 42.134 0.4 1 1277 870 112 LYS N N 119.234 0.4 1 1278 871 113 GLY H H 8.176 0.04 1 1279 871 113 GLY HA2 H 3.917 0.04 1 1280 871 113 GLY HA3 H 3.917 0.04 1 1281 871 113 GLY C C 173.980 0.4 1 1282 871 113 GLY CA C 45.220 0.4 1 1283 871 113 GLY N N 108.814 0.4 1 1284 872 114 PHE H H 8.121 0.04 1 1285 872 114 PHE HA H 4.610 0.04 1 1286 872 114 PHE HB2 H 3.209 0.04 1 1287 872 114 PHE HB3 H 3.055 0.04 1 1288 872 114 PHE HD1 H 7.234 0.04 3 1289 872 114 PHE HD2 H 7.234 0.04 3 1290 872 114 PHE HE1 H 7.346 0.04 3 1291 872 114 PHE HE2 H 7.346 0.04 3 1292 872 114 PHE C C 176.367 0.4 1 1293 872 114 PHE CA C 58.144 0.4 1 1294 872 114 PHE CB C 39.441 0.4 1 1295 872 114 PHE CD1 C 131.926 0.4 3 1296 872 114 PHE CD2 C 131.926 0.4 3 1297 872 114 PHE CE1 C 131.381 0.4 3 1298 872 114 PHE CE2 C 131.381 0.4 3 1299 872 114 PHE N N 119.710 0.4 1 1300 873 115 GLY H H 8.390 0.04 1 1301 873 115 GLY HA2 H 3.899 0.04 1 1302 873 115 GLY HA3 H 3.899 0.04 1 1303 873 115 GLY C C 173.889 0.4 1 1304 873 115 GLY CA C 45.394 0.4 1 1305 873 115 GLY N N 110.497 0.4 1 1306 874 116 MET H H 8.050 0.04 1 1307 874 116 MET HA H 4.512 0.04 1 1308 874 116 MET HB2 H 2.135 0.04 1 1309 874 116 MET HB3 H 2.003 0.04 1 1310 874 116 MET HG2 H 2.587 0.04 1 1311 874 116 MET HG3 H 2.526 0.04 1 1312 874 116 MET HE H 2.105 0.04 1 1313 874 116 MET C C 175.196 0.4 1 1314 874 116 MET CA C 55.512 0.4 1 1315 874 116 MET CB C 33.106 0.4 1 1316 874 116 MET CG C 32.064 0.4 1 1317 874 116 MET CE C 17.101 0.4 1 1318 874 116 MET N N 119.715 0.4 1 1319 875 117 LEU H H 7.873 0.04 1 1320 875 117 LEU HA H 4.213 0.04 1 1321 875 117 LEU HB2 H 1.625 0.04 1 1322 875 117 LEU HB3 H 1.625 0.04 1 1323 875 117 LEU HG H 1.608 0.04 1 1324 875 117 LEU HD1 H 0.918 0.04 2 1325 875 117 LEU HD2 H 0.878 0.04 2 1326 875 117 LEU C C 182.346 0.4 1 1327 875 117 LEU CA C 56.818 0.4 1 1328 875 117 LEU CB C 43.420 0.4 1 1329 875 117 LEU CG C 27.320 0.4 1 1330 875 117 LEU CD1 C 25.316 0.4 2 1331 875 117 LEU CD2 C 23.627 0.4 2 1332 875 117 LEU N N 128.828 0.4 1 stop_ save_