data_30020 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The C-terminal domain of rice beta-galactosidase 1 ; _BMRB_accession_number 30020 _BMRB_flat_file_name bmr30020.str _Entry_type original _Submission_date 2016-02-22 _Accession_date 2016-02-22 _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 Rimlumduan T. . . 2 Hua Y.-l. . . 3 Tanaka T. . . 4 Ketudat-Cairns J.R. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 653 "13C chemical shifts" 444 "15N chemical shifts" 114 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-08 original BMRB . stop_ _Original_release_date 2016-08-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of a plant beta-galactosidase C-terminal domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27451952 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rimlumduan T. . . 2 Hua Y.-l. . . 3 Tanaka T. . . 4 Ketudat-Cairns J.R. . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_volume 1864 _Journal_issue 10 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1411 _Page_last 1418 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'beta-galactosidase 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 13029.779 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; GSHMRTVSGVCADVSEYHPN IKNWQIESYGEPEFHTAKVH LKCAPGQTISAIKFASFGTP LGTCGTFQQGECHSINSNSV LERKCIGLERCVVAISPSNF GGDPCPEVMKRVAVEAVCST AA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . GLY 2 . SER 3 . HIS 4 . MET 5 726 ARG 6 727 THR 7 728 VAL 8 729 SER 9 730 GLY 10 731 VAL 11 732 CYS 12 733 ALA 13 734 ASP 14 735 VAL 15 736 SER 16 737 GLU 17 738 TYR 18 739 HIS 19 740 PRO 20 741 ASN 21 742 ILE 22 743 LYS 23 744 ASN 24 745 TRP 25 746 GLN 26 747 ILE 27 748 GLU 28 749 SER 29 750 TYR 30 751 GLY 31 752 GLU 32 753 PRO 33 754 GLU 34 755 PHE 35 756 HIS 36 757 THR 37 758 ALA 38 759 LYS 39 760 VAL 40 761 HIS 41 762 LEU 42 763 LYS 43 764 CYS 44 765 ALA 45 766 PRO 46 767 GLY 47 768 GLN 48 769 THR 49 770 ILE 50 771 SER 51 772 ALA 52 773 ILE 53 774 LYS 54 775 PHE 55 776 ALA 56 777 SER 57 778 PHE 58 779 GLY 59 780 THR 60 781 PRO 61 782 LEU 62 783 GLY 63 784 THR 64 785 CYS 65 786 GLY 66 787 THR 67 788 PHE 68 789 GLN 69 790 GLN 70 791 GLY 71 792 GLU 72 793 CYS 73 794 HIS 74 795 SER 75 796 ILE 76 797 ASN 77 798 SER 78 799 ASN 79 800 SER 80 801 VAL 81 802 LEU 82 803 GLU 83 804 ARG 84 805 LYS 85 806 CYS 86 807 ILE 87 808 GLY 88 809 LEU 89 810 GLU 90 811 ARG 91 812 CYS 92 813 VAL 93 814 VAL 94 815 ALA 95 816 ILE 96 817 SER 97 818 PRO 98 819 SER 99 820 ASN 100 821 PHE 101 822 GLY 102 823 GLY 103 824 ASP 104 825 PRO 105 826 CYS 106 827 PRO 107 828 GLU 108 829 VAL 109 830 MET 110 831 LYS 111 832 ARG 112 833 VAL 113 834 ALA 114 835 VAL 115 836 GLU 116 837 ALA 117 838 VAL 118 839 CYS 119 840 SER 120 841 THR 121 842 ALA 122 843 ALA 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 $entity_1 Rice 39946 Eukaryota Metazoa Oryza sativa OsI_10152 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 $entity_1 'recombinant technology' . Escherichia coli 'Origami B(DE3)' . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM OsBGal1 Cter, 20 mM sodium phosphate, 100 mM sodium chloride, 95 % H2O, 5 % [U-2H] D2O, 95% H2O/5% D2O.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 5 % [U-2H] H2O 95 % 'natural abundance' $entity_1 0.5 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.54 mM OsBGal1 Cter, 20 mM sodium phosphate, 100 mM sodium chloride, 100 % [U-2H] D2O, 100% D2O.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 100 % [U-2H] $entity_1 0.54 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '0.79 mM [U-100% 15N] OsBGal1 Cter, 20 mM sodium phosphate, 100 mM sodium chloride, 95 % H2O, 5 % [U-2H] D2O, 95% H2O/5% D2O.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 5 % [U-2H] H2O 95 % 'natural abundance' $entity_1 0.79 mM '[U-100% 15N]' 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details ; 0.5 mM [U-100% 13C; U-100% 15N] OsBGal1 Cter, 20 mM sodium phosphate, 100 mM sodium chloride, 95 % H2O, 5 % [U-2H] D2O, 95% H2O/5% D2O. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 5 % [U-2H] H2O 95 % 'natural abundance' $entity_1 0.5 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details '0.18 mM [U-10% 13C] OsBGal1 Cter, 20 mM sodium phosphate, 100 mM sodium chloride, 95 % H2O, 5 % [U-2H] D2O, 95% H2O/5% D2O.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 5 % [U-2H] H2O 95 % 'natural abundance' $entity_1 0.18 mM '[U-10% 13C]' 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name X-PLOR _Version v3.1 loop_ _Vendor _Address _Electronic_address Brunger . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'UNITY INOVA' _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE DRX' _Field_strength 800 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_3 save_ save_3D_HNHA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_4 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_4 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_4 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_4 save_ save_3D_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_4 save_ save_3D_HBCBCACOCAHA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBCBCACOCAHA' _Sample_label $sample_4 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_5 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' 120 . mM pH 7.4 . 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 0.000 na indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 external indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 na indirect . . . 0.10132912 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_ _Software_label $software_1 $software_3 stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '3D 1H-15N NOESY' '2D 1H-15N HSQC' '3D HNCO' '3D CBCA(CO)NH' '3D HNCACB' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_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 1 726 5 ARG H H 8.44 0.01 1 2 726 5 ARG HA H 4.45 0.01 1 3 726 5 ARG HB2 H 1.74 0.01 2 4 726 5 ARG HB3 H 1.83 0.01 2 5 726 5 ARG HG2 H 1.56 0.01 2 6 726 5 ARG HG3 H 1.62 0.01 2 7 726 5 ARG HD2 H 3.17 0.01 1 8 726 5 ARG HD3 H 3.17 0.01 1 9 726 5 ARG C C 176.0 0.04 1 10 726 5 ARG CA C 55.9 0.04 1 11 726 5 ARG CB C 31.1 0.04 1 12 726 5 ARG CG C 27.2 0.04 1 13 726 5 ARG CD C 43.4 0.04 1 14 726 5 ARG N N 122.8 0.15 1 15 727 6 THR H H 8.29 0.01 1 16 727 6 THR HA H 4.45 0.01 1 17 727 6 THR HB H 4.14 0.01 1 18 727 6 THR HG2 H 1.13 0.01 1 19 727 6 THR C C 174.1 0.04 1 20 727 6 THR CA C 61.9 0.04 1 21 727 6 THR CB C 70.2 0.04 1 22 727 6 THR CG2 C 21.8 0.04 1 23 727 6 THR N N 117.4 0.15 1 24 728 7 VAL H H 8.34 0.01 1 25 728 7 VAL HA H 4.56 0.01 1 26 728 7 VAL HB H 2.04 0.01 1 27 728 7 VAL HG1 H 0.93 0.01 1 28 728 7 VAL HG2 H 0.90 0.01 1 29 728 7 VAL C C 175.7 0.04 1 30 728 7 VAL CA C 61.7 0.04 1 31 728 7 VAL CB C 33.9 0.04 1 32 728 7 VAL CG1 C 21.3 0.04 1 33 728 7 VAL CG2 C 20.4 0.04 1 34 728 7 VAL N N 122.0 0.15 1 35 729 8 SER H H 8.68 0.01 1 36 729 8 SER HA H 4.73 0.01 1 37 729 8 SER HB2 H 3.89 0.01 1 38 729 8 SER HB3 H 3.89 0.01 1 39 729 8 SER C C 173.8 0.04 1 40 729 8 SER CA C 57.8 0.04 1 41 729 8 SER CB C 64.8 0.04 1 42 729 8 SER N N 118.4 0.15 1 43 730 9 GLY H H 8.53 0.01 1 44 730 9 GLY HA2 H 4.01 0.01 2 45 730 9 GLY HA3 H 4.67 0.01 2 46 730 9 GLY C C 173.3 0.04 1 47 730 9 GLY CA C 45.4 0.04 1 48 730 9 GLY N N 110.3 0.15 1 49 731 10 VAL H H 8.42 0.01 1 50 731 10 VAL HA H 4.67 0.01 1 51 731 10 VAL HB H 2.16 0.01 1 52 731 10 VAL HG1 H 0.94 0.01 1 53 731 10 VAL HG2 H 0.95 0.01 1 54 731 10 VAL C C 174.2 0.04 1 55 731 10 VAL CA C 61.0 0.04 1 56 731 10 VAL CB C 34.6 0.04 1 57 731 10 VAL CG1 C 21.6 0.04 1 58 731 10 VAL CG2 C 20.6 0.04 1 59 731 10 VAL N N 118.2 0.15 1 60 732 11 CYS H H 8.75 0.01 1 61 732 11 CYS HA H 5.77 0.01 1 62 732 11 CYS HB2 H 3.17 0.01 2 63 732 11 CYS HB3 H 3.72 0.01 2 64 732 11 CYS C C 173.6 0.04 1 65 732 11 CYS CA C 53.6 0.04 1 66 732 11 CYS CB C 49.3 0.04 1 67 732 11 CYS N N 121.6 0.15 1 68 733 12 ALA H H 9.04 0.01 1 69 733 12 ALA HA H 4.74 0.01 1 70 733 12 ALA HB H 1.35 0.01 1 71 733 12 ALA C C 174.8 0.04 1 72 733 12 ALA CA C 51.9 0.04 1 73 733 12 ALA CB C 23.8 0.04 1 74 733 12 ALA N N 124.3 0.15 1 75 734 13 ASP H H 8.27 0.01 1 76 734 13 ASP HA H 5.34 0.01 1 77 734 13 ASP HB2 H 2.72 0.01 2 78 734 13 ASP HB3 H 2.92 0.01 2 79 734 13 ASP C C 175.6 0.04 1 80 734 13 ASP CA C 53.8 0.04 1 81 734 13 ASP CB C 41.8 0.04 1 82 734 13 ASP N N 120.5 0.15 1 83 735 14 VAL H H 8.65 0.01 1 84 735 14 VAL HA H 4.47 0.01 1 85 735 14 VAL HB H 1.84 0.01 1 86 735 14 VAL HG1 H 0.98 0.01 1 87 735 14 VAL HG2 H 1.11 0.01 1 88 735 14 VAL C C 174.8 0.04 1 89 735 14 VAL CA C 61.2 0.04 1 90 735 14 VAL CB C 35.9 0.04 1 91 735 14 VAL CG1 C 21.5 0.04 1 92 735 14 VAL CG2 C 21.8 0.04 1 93 735 14 VAL N N 124.0 0.15 1 94 736 15 SER H H 8.55 0.01 1 95 736 15 SER HA H 4.74 0.01 1 96 736 15 SER HB2 H 3.89 0.01 1 97 736 15 SER HB3 H 3.89 0.01 1 98 736 15 SER C C 174.4 0.04 1 99 736 15 SER CA C 58.3 0.04 1 100 736 15 SER CB C 64.3 0.04 1 101 736 15 SER N N 120.8 0.15 1 102 737 16 GLU H H 8.44 0.01 1 103 737 16 GLU HA H 4.09 0.01 1 104 737 16 GLU HB2 H 1.95 0.01 2 105 737 16 GLU HB3 H 2.10 0.01 2 106 737 16 GLU HG2 H 2.13 0.01 2 107 737 16 GLU HG3 H 2.38 0.01 2 108 737 16 GLU C C 175.5 0.04 1 109 737 16 GLU CA C 57.6 0.04 1 110 737 16 GLU CB C 30.9 0.04 1 111 737 16 GLU CG C 36.5 0.04 1 112 737 16 GLU N N 121.7 0.15 1 113 738 17 TYR H H 8.14 0.01 1 114 738 17 TYR HA H 4.56 0.01 1 115 738 17 TYR HB2 H 2.90 0.01 1 116 738 17 TYR HB3 H 2.90 0.01 1 117 738 17 TYR HD1 H 6.98 0.01 1 118 738 17 TYR HD2 H 6.98 0.01 1 119 738 17 TYR HE1 H 6.68 0.01 1 120 738 17 TYR HE2 H 6.68 0.01 1 121 738 17 TYR C C 174.8 0.04 1 122 738 17 TYR CA C 57.6 0.04 1 123 738 17 TYR CB C 39.3 0.04 1 124 738 17 TYR N N 120.4 0.15 1 125 739 18 HIS H H 7.99 0.01 1 126 739 18 HIS HA H 4.61 0.01 1 127 739 18 HIS HB2 H 2.91 0.01 2 128 739 18 HIS HB3 H 2.98 0.01 2 129 739 18 HIS HD2 H 6.99 0.01 1 130 739 18 HIS HE1 H 7.74 0.01 1 131 739 18 HIS CA C 54.2 0.04 1 132 739 18 HIS CB C 31.4 0.04 1 133 739 18 HIS N N 125.3 0.15 1 134 740 19 PRO HA H 4.26 0.01 1 135 740 19 PRO HB2 H 1.81 0.01 2 136 740 19 PRO HB3 H 2.19 0.01 2 137 740 19 PRO HG2 H 1.82 0.01 1 138 740 19 PRO HG3 H 1.82 0.01 1 139 740 19 PRO HD2 H 3.08 0.01 2 140 740 19 PRO HD3 H 3.34 0.01 2 141 740 19 PRO CA C 63.6 0.04 1 142 740 19 PRO CB C 32.1 0.04 1 143 740 19 PRO CG C 27.2 0.04 1 144 740 19 PRO CD C 50.5 0.04 1 145 741 20 ASN HA H 4.69 0.01 1 146 741 20 ASN HB2 H 2.74 0.01 2 147 741 20 ASN HB3 H 2.86 0.01 2 148 741 20 ASN HD21 H 6.91 0.01 2 149 741 20 ASN HD22 H 7.58 0.01 2 150 741 20 ASN C C 175.4 0.04 1 151 741 20 ASN CA C 53.3 0.04 1 152 741 20 ASN CB C 38.5 0.04 1 153 741 20 ASN CG C 177.2 0.04 1 154 741 20 ASN ND2 N 112.8 0.15 1 155 742 21 ILE H H 7.85 0.01 1 156 742 21 ILE HA H 4.04 0.01 1 157 742 21 ILE HB H 1.79 0.01 1 158 742 21 ILE HG12 H 1.09 0.01 2 159 742 21 ILE HG13 H 1.34 0.01 2 160 742 21 ILE HG2 H 0.80 0.01 1 161 742 21 ILE HD1 H 0.77 0.01 1 162 742 21 ILE C C 176.0 0.04 1 163 742 21 ILE CA C 61.4 0.04 1 164 742 21 ILE CB C 38.8 0.04 1 165 742 21 ILE CG1 C 27.4 0.04 1 166 742 21 ILE CG2 C 17.5 0.04 1 167 742 21 ILE CD1 C 13.1 0.04 1 168 742 21 ILE N N 120.7 0.15 1 169 743 22 LYS H H 8.24 0.01 1 170 743 22 LYS HA H 4.18 0.01 1 171 743 22 LYS HB2 H 1.60 0.01 1 172 743 22 LYS HB3 H 1.60 0.01 1 173 743 22 LYS HG2 H 1.27 0.01 2 174 743 22 LYS HG3 H 1.30 0.01 2 175 743 22 LYS HD2 H 1.57 0.01 1 176 743 22 LYS HD3 H 1.57 0.01 1 177 743 22 LYS HE2 H 2.88 0.01 1 178 743 22 LYS HE3 H 2.88 0.01 1 179 743 22 LYS CA C 56.5 0.04 1 180 743 22 LYS CB C 32.7 0.04 1 181 743 22 LYS CG C 24.7 0.04 1 182 743 22 LYS CD C 29.0 0.04 1 183 743 22 LYS CE C 42.1 0.04 1 184 743 22 LYS N N 124.0 0.15 1 185 744 23 ASN HA H 4.62 0.01 1 186 744 23 ASN HB2 H 2.70 0.01 2 187 744 23 ASN HB3 H 2.78 0.01 2 188 744 23 ASN HD21 H 6.89 0.01 2 189 744 23 ASN HD22 H 7.56 0.01 2 190 744 23 ASN C C 175.1 0.04 1 191 744 23 ASN CA C 53.4 0.04 1 192 744 23 ASN CB C 38.4 0.04 1 193 744 23 ASN CG C 177.0 0.04 1 194 744 23 ASN ND2 N 112.5 0.15 1 195 745 24 TRP H H 7.90 0.01 1 196 745 24 TRP HA H 4.50 0.01 1 197 745 24 TRP HB2 H 3.24 0.01 1 198 745 24 TRP HB3 H 3.24 0.01 1 199 745 24 TRP HD1 H 7.20 0.01 1 200 745 24 TRP HE1 H 10.11 0.01 1 201 745 24 TRP HE3 H 7.48 0.01 1 202 745 24 TRP HZ2 H 7.38 0.01 1 203 745 24 TRP HZ3 H 7.05 0.01 1 204 745 24 TRP HH2 H 7.13 0.01 1 205 745 24 TRP C C 176.2 0.04 1 206 745 24 TRP CA C 57.8 0.04 1 207 745 24 TRP CB C 29.0 0.04 1 208 745 24 TRP N N 120.7 0.15 1 209 745 24 TRP NE1 N 129.6 0.15 1 210 746 25 GLN H H 7.97 0.01 1 211 746 25 GLN HA H 4.14 0.01 1 212 746 25 GLN HB2 H 1.78 0.01 2 213 746 25 GLN HB3 H 1.92 0.01 2 214 746 25 GLN HG2 H 1.91 0.01 2 215 746 25 GLN HG3 H 2.02 0.01 2 216 746 25 GLN HE21 H 6.77 0.01 2 217 746 25 GLN HE22 H 7.32 0.01 2 218 746 25 GLN C C 175.8 0.04 1 219 746 25 GLN CA C 56.2 0.04 1 220 746 25 GLN CB C 29.1 0.04 1 221 746 25 GLN CG C 33.7 0.04 1 222 746 25 GLN CD C 180.4 0.04 1 223 746 25 GLN N N 121.0 0.15 1 224 746 25 GLN NE2 N 112.1 0.15 1 225 747 26 ILE H H 7.81 0.01 1 226 747 26 ILE HA H 4.00 0.01 1 227 747 26 ILE HB H 1.79 0.01 1 228 747 26 ILE HG12 H 1.10 0.01 2 229 747 26 ILE HG13 H 1.40 0.01 2 230 747 26 ILE HG2 H 0.83 0.01 1 231 747 26 ILE HD1 H 0.81 0.01 1 232 747 26 ILE C C 176.4 0.04 1 233 747 26 ILE CA C 61.7 0.04 1 234 747 26 ILE CB C 38.8 0.04 1 235 747 26 ILE CG1 C 27.5 0.04 1 236 747 26 ILE CG2 C 17.5 0.04 1 237 747 26 ILE CD1 C 13.1 0.04 1 238 747 26 ILE N N 120.5 0.15 1 239 748 27 GLU H H 8.39 0.01 1 240 748 27 GLU HA H 4.20 0.01 1 241 748 27 GLU HB2 H 1.86 0.01 2 242 748 27 GLU HB3 H 1.94 0.01 2 243 748 27 GLU HG2 H 2.18 0.01 1 244 748 27 GLU HG3 H 2.18 0.01 1 245 748 27 GLU C C 176.4 0.04 1 246 748 27 GLU CA C 57.0 0.04 1 247 748 27 GLU CB C 29.9 0.04 1 248 748 27 GLU CG C 36.3 0.04 1 249 748 27 GLU N N 123.1 0.15 1 250 749 28 SER H H 8.03 0.01 1 251 749 28 SER HA H 4.29 0.01 1 252 749 28 SER HB2 H 3.67 0.01 1 253 749 28 SER HB3 H 3.67 0.01 1 254 749 28 SER C C 174.2 0.04 1 255 749 28 SER CA C 58.4 0.04 1 256 749 28 SER CB C 63.8 0.04 1 257 749 28 SER N N 115.6 0.15 1 258 750 29 TYR H H 8.07 0.01 1 259 750 29 TYR HA H 4.43 0.01 1 260 750 29 TYR HB2 H 2.90 0.01 2 261 750 29 TYR HB3 H 3.02 0.01 2 262 750 29 TYR HD1 H 7.00 0.01 1 263 750 29 TYR HD2 H 7.00 0.01 1 264 750 29 TYR HE1 H 6.75 0.01 1 265 750 29 TYR HE2 H 6.75 0.01 1 266 750 29 TYR C C 176.2 0.04 1 267 750 29 TYR CA C 58.3 0.04 1 268 750 29 TYR CB C 38.4 0.04 1 269 750 29 TYR N N 121.5 0.15 1 270 751 30 GLY H H 8.17 0.01 1 271 751 30 GLY HA2 H 3.79 0.01 2 272 751 30 GLY HA3 H 3.90 0.01 2 273 751 30 GLY C C 173.6 0.04 1 274 751 30 GLY CA C 45.0 0.04 1 275 751 30 GLY N N 110.1 0.15 1 276 752 31 GLU H H 8.05 0.01 1 277 752 31 GLU HA H 4.53 0.01 1 278 752 31 GLU HB2 H 1.86 0.01 2 279 752 31 GLU HB3 H 2.02 0.01 2 280 752 31 GLU HG2 H 2.23 0.01 1 281 752 31 GLU HG3 H 2.23 0.01 1 282 752 31 GLU CA C 54.4 0.04 1 283 752 31 GLU CB C 29.7 0.04 1 284 752 31 GLU CG C 36.1 0.04 1 285 752 31 GLU N N 121.4 0.15 1 286 753 32 PRO HA H 4.24 0.01 1 287 753 32 PRO HB2 H 1.73 0.01 2 288 753 32 PRO HB3 H 2.12 0.01 2 289 753 32 PRO HG2 H 1.91 0.01 1 290 753 32 PRO HG3 H 1.91 0.01 1 291 753 32 PRO HD2 H 3.64 0.01 2 292 753 32 PRO HD3 H 3.72 0.01 2 293 753 32 PRO C C 177.1 0.04 1 294 753 32 PRO CA C 63.8 0.04 1 295 753 32 PRO CB C 31.9 0.04 1 296 753 32 PRO CG C 27.4 0.04 1 297 753 32 PRO CD C 50.6 0.04 1 298 754 33 GLU H H 8.44 0.01 1 299 754 33 GLU HA H 4.11 0.01 1 300 754 33 GLU HB2 H 1.82 0.01 1 301 754 33 GLU HB3 H 1.82 0.01 1 302 754 33 GLU HG2 H 2.02 0.01 2 303 754 33 GLU HG3 H 2.09 0.01 2 304 754 33 GLU C C 176.3 0.04 1 305 754 33 GLU CA C 56.7 0.04 1 306 754 33 GLU CB C 29.9 0.04 1 307 754 33 GLU CG C 36.2 0.04 1 308 754 33 GLU N N 119.4 0.15 1 309 755 34 PHE H H 7.99 0.01 1 310 755 34 PHE HA H 4.45 0.01 1 311 755 34 PHE HB2 H 2.96 0.01 1 312 755 34 PHE HB3 H 2.96 0.01 1 313 755 34 PHE HD1 H 7.04 0.01 1 314 755 34 PHE HD2 H 7.04 0.01 1 315 755 34 PHE HE1 H 7.23 0.01 1 316 755 34 PHE HE2 H 7.23 0.01 1 317 755 34 PHE HZ H 7.19 0.01 1 318 755 34 PHE CA C 58.2 0.04 1 319 755 34 PHE CB C 39.5 0.04 1 320 755 34 PHE N N 120.1 0.15 1 321 756 35 HIS HA H 4.48 0.01 1 322 756 35 HIS HB2 H 2.83 0.01 2 323 756 35 HIS HB3 H 2.92 0.01 2 324 756 35 HIS HD2 H 6.73 0.01 1 325 756 35 HIS HE1 H 7.70 0.01 1 326 756 35 HIS C C 174.6 0.04 1 327 756 35 HIS CA C 56.1 0.04 1 328 756 35 HIS CB C 30.8 0.04 1 329 757 36 THR H H 7.73 0.01 1 330 757 36 THR HA H 4.35 0.01 1 331 757 36 THR HB H 4.07 0.01 1 332 757 36 THR HG2 H 1.18 0.01 1 333 757 36 THR C C 174.1 0.04 1 334 757 36 THR CA C 61.4 0.04 1 335 757 36 THR CB C 70.7 0.04 1 336 757 36 THR CG2 C 21.9 0.04 1 337 757 36 THR N N 114.5 0.15 1 338 758 37 ALA H H 8.79 0.01 1 339 758 37 ALA HA H 4.34 0.01 1 340 758 37 ALA HB H 1.38 0.01 1 341 758 37 ALA C C 176.5 0.04 1 342 758 37 ALA CA C 52.3 0.04 1 343 758 37 ALA CB C 20.6 0.04 1 344 758 37 ALA N N 128.3 0.15 1 345 759 38 LYS H H 8.33 0.01 1 346 759 38 LYS HA H 4.90 0.01 1 347 759 38 LYS HB2 H 1.27 0.01 2 348 759 38 LYS HB3 H 1.44 0.01 2 349 759 38 LYS HG2 H 1.11 0.01 2 350 759 38 LYS HG3 H 1.28 0.01 2 351 759 38 LYS HD2 H 1.39 0.01 1 352 759 38 LYS HD3 H 1.39 0.01 1 353 759 38 LYS HE2 H 2.83 0.01 1 354 759 38 LYS HE3 H 2.83 0.01 1 355 759 38 LYS C C 175.2 0.04 1 356 759 38 LYS CA C 54.7 0.04 1 357 759 38 LYS CB C 35.9 0.04 1 358 759 38 LYS CG C 24.9 0.04 1 359 759 38 LYS CD C 29.2 0.04 1 360 759 38 LYS CE C 42.5 0.04 1 361 759 38 LYS N N 118.1 0.15 1 362 760 39 VAL H H 8.70 0.01 1 363 760 39 VAL HA H 4.09 0.01 1 364 760 39 VAL HB H 1.90 0.01 1 365 760 39 VAL HG1 H 0.72 0.01 1 366 760 39 VAL HG2 H 0.82 0.01 1 367 760 39 VAL C C 173.8 0.04 1 368 760 39 VAL CA C 61.4 0.04 1 369 760 39 VAL CB C 33.4 0.04 1 370 760 39 VAL CG1 C 21.2 0.04 1 371 760 39 VAL CG2 C 21.7 0.04 1 372 760 39 VAL N N 120.1 0.15 1 373 761 40 HIS H H 8.57 0.01 1 374 761 40 HIS HA H 5.21 0.01 1 375 761 40 HIS HB2 H 2.90 0.01 2 376 761 40 HIS HB3 H 2.95 0.01 2 377 761 40 HIS HD2 H 6.74 0.01 1 378 761 40 HIS HE1 H 7.59 0.01 1 379 761 40 HIS C C 174.7 0.04 1 380 761 40 HIS CA C 54.8 0.04 1 381 761 40 HIS CB C 32.2 0.04 1 382 761 40 HIS N N 126.3 0.15 1 383 762 41 LEU H H 8.48 0.01 1 384 762 41 LEU HA H 4.61 0.01 1 385 762 41 LEU HB2 H 1.12 0.01 2 386 762 41 LEU HB3 H 1.75 0.01 2 387 762 41 LEU HG H 1.36 0.01 1 388 762 41 LEU HD1 H 0.70 0.01 1 389 762 41 LEU HD2 H 0.69 0.01 1 390 762 41 LEU C C 175.0 0.04 1 391 762 41 LEU CA C 53.5 0.04 1 392 762 41 LEU CB C 45.1 0.04 1 393 762 41 LEU CG C 26.6 0.04 1 394 762 41 LEU CD1 C 25.8 0.04 1 395 762 41 LEU CD2 C 24.0 0.04 1 396 762 41 LEU N N 123.9 0.15 1 397 763 42 LYS H H 8.15 0.01 1 398 763 42 LYS HA H 4.98 0.01 1 399 763 42 LYS HB2 H 1.67 0.01 2 400 763 42 LYS HB3 H 1.73 0.01 2 401 763 42 LYS HG2 H 1.26 0.01 2 402 763 42 LYS HG3 H 1.37 0.01 2 403 763 42 LYS HD2 H 1.54 0.01 2 404 763 42 LYS HD3 H 1.61 0.01 2 405 763 42 LYS HE2 H 2.87 0.01 1 406 763 42 LYS HE3 H 2.87 0.01 1 407 763 42 LYS C C 175.0 0.04 1 408 763 42 LYS CA C 55.4 0.04 1 409 763 42 LYS CB C 35.5 0.04 1 410 763 42 LYS CG C 24.2 0.04 1 411 763 42 LYS CD C 29.7 0.04 1 412 763 42 LYS CE C 42.0 0.04 1 413 763 42 LYS N N 121.5 0.15 1 414 764 43 CYS H H 8.53 0.01 1 415 764 43 CYS HA H 4.82 0.01 1 416 764 43 CYS HB2 H 2.68 0.01 2 417 764 43 CYS HB3 H 3.28 0.01 2 418 764 43 CYS C C 173.7 0.04 1 419 764 43 CYS CA C 52.9 0.04 1 420 764 43 CYS CB C 40.7 0.04 1 421 764 43 CYS N N 122.0 0.15 1 422 765 44 ALA H H 7.99 0.01 1 423 765 44 ALA HA H 4.45 0.01 1 424 765 44 ALA HB H 1.22 0.01 1 425 765 44 ALA CA C 51.0 0.04 1 426 765 44 ALA CB C 17.1 0.04 1 427 765 44 ALA N N 123.3 0.15 1 428 766 45 PRO HA H 4.26 0.01 1 429 766 45 PRO HB2 H 2.28 0.01 1 430 766 45 PRO HB3 H 2.28 0.01 1 431 766 45 PRO HG2 H 1.98 0.01 2 432 766 45 PRO HG3 H 2.10 0.01 2 433 766 45 PRO HD2 H 3.51 0.01 2 434 766 45 PRO HD3 H 3.78 0.01 2 435 766 45 PRO C C 178.2 0.04 1 436 766 45 PRO CA C 64.2 0.04 1 437 766 45 PRO CB C 31.5 0.04 1 438 766 45 PRO CG C 27.9 0.04 1 439 766 45 PRO CD C 50.0 0.04 1 440 767 46 GLY H H 8.55 0.01 1 441 767 46 GLY HA2 H 3.65 0.01 2 442 767 46 GLY HA3 H 4.29 0.01 2 443 767 46 GLY C C 174.2 0.04 1 444 767 46 GLY CA C 45.2 0.04 1 445 767 46 GLY N N 112.9 0.15 1 446 768 47 GLN H H 8.23 0.01 1 447 768 47 GLN HA H 4.89 0.01 1 448 768 47 GLN HB2 H 1.79 0.01 2 449 768 47 GLN HB3 H 2.37 0.01 2 450 768 47 GLN HG2 H 1.94 0.01 2 451 768 47 GLN HG3 H 2.14 0.01 2 452 768 47 GLN HE21 H 6.58 0.01 2 453 768 47 GLN HE22 H 7.22 0.01 2 454 768 47 GLN C C 175.5 0.04 1 455 768 47 GLN CA C 54.1 0.04 1 456 768 47 GLN CB C 32.1 0.04 1 457 768 47 GLN CG C 33.7 0.04 1 458 768 47 GLN CD C 179.1 0.04 1 459 768 47 GLN N N 119.4 0.15 1 460 768 47 GLN NE2 N 110.7 0.15 1 461 769 48 THR H H 8.60 0.01 1 462 769 48 THR HA H 4.44 0.01 1 463 769 48 THR HB H 3.55 0.01 1 464 769 48 THR HG2 H 0.93 0.01 1 465 769 48 THR C C 173.9 0.04 1 466 769 48 THR CA C 59.6 0.04 1 467 769 48 THR CB C 72.9 0.04 1 468 769 48 THR CG2 C 22.6 0.04 1 469 769 48 THR N N 108.0 0.15 1 470 770 49 ILE H H 8.65 0.01 1 471 770 49 ILE HA H 4.46 0.01 1 472 770 49 ILE HB H 2.19 0.01 1 473 770 49 ILE HG12 H 0.72 0.01 2 474 770 49 ILE HG13 H 2.01 0.01 2 475 770 49 ILE HG2 H 0.65 0.01 1 476 770 49 ILE HD1 H 0.64 0.01 1 477 770 49 ILE C C 176.8 0.04 1 478 770 49 ILE CA C 62.4 0.04 1 479 770 49 ILE CB C 36.9 0.04 1 480 770 49 ILE CG1 C 29.9 0.04 1 481 770 49 ILE CG2 C 17.5 0.04 1 482 770 49 ILE CD1 C 15.0 0.04 1 483 770 49 ILE N N 122.8 0.15 1 484 771 50 SER H H 9.50 0.01 1 485 771 50 SER HA H 4.67 0.01 1 486 771 50 SER HB2 H 3.67 0.01 2 487 771 50 SER HB3 H 3.91 0.01 2 488 771 50 SER C C 174.8 0.04 1 489 771 50 SER CA C 57.8 0.04 1 490 771 50 SER CB C 64.9 0.04 1 491 771 50 SER N N 124.9 0.15 1 492 772 51 ALA H H 7.65 0.01 1 493 772 51 ALA HA H 4.38 0.01 1 494 772 51 ALA HB H 1.28 0.01 1 495 772 51 ALA C C 174.9 0.04 1 496 772 51 ALA CA C 52.3 0.04 1 497 772 51 ALA CB C 21.6 0.04 1 498 772 51 ALA N N 121.7 0.15 1 499 773 52 ILE H H 9.28 0.01 1 500 773 52 ILE HA H 4.38 0.01 1 501 773 52 ILE HB H 2.22 0.01 1 502 773 52 ILE HG12 H 1.03 0.01 2 503 773 52 ILE HG13 H 1.46 0.01 2 504 773 52 ILE HG2 H 0.75 0.01 1 505 773 52 ILE HD1 H 0.51 0.01 1 506 773 52 ILE C C 175.2 0.04 1 507 773 52 ILE CA C 57.9 0.04 1 508 773 52 ILE CB C 35.5 0.04 1 509 773 52 ILE CG1 C 26.1 0.04 1 510 773 52 ILE CG2 C 17.9 0.04 1 511 773 52 ILE CD1 C 8.6 0.04 1 512 773 52 ILE N N 122.0 0.15 1 513 774 53 LYS H H 8.58 0.01 1 514 774 53 LYS HA H 4.25 0.01 1 515 774 53 LYS HB2 H 1.66 0.01 1 516 774 53 LYS HB3 H 1.66 0.01 1 517 774 53 LYS HG2 H 1.34 0.01 2 518 774 53 LYS HG3 H 1.44 0.01 2 519 774 53 LYS HD2 H 1.58 0.01 1 520 774 53 LYS HD3 H 1.58 0.01 1 521 774 53 LYS HE2 H 2.94 0.01 1 522 774 53 LYS HE3 H 2.94 0.01 1 523 774 53 LYS C C 176.4 0.04 1 524 774 53 LYS CA C 57.7 0.04 1 525 774 53 LYS CB C 33.6 0.04 1 526 774 53 LYS CG C 24.8 0.04 1 527 774 53 LYS CD C 29.0 0.04 1 528 774 53 LYS CE C 41.9 0.04 1 529 774 53 LYS N N 129.0 0.15 1 530 775 54 PHE H H 8.17 0.01 1 531 775 54 PHE HA H 4.57 0.01 1 532 775 54 PHE HB2 H 2.72 0.01 2 533 775 54 PHE HB3 H 3.30 0.01 2 534 775 54 PHE HD1 H 6.88 0.01 1 535 775 54 PHE HD2 H 6.88 0.01 1 536 775 54 PHE HE1 H 6.87 0.01 1 537 775 54 PHE HE2 H 6.87 0.01 1 538 775 54 PHE HZ H 6.61 0.01 1 539 775 54 PHE C C 173.2 0.04 1 540 775 54 PHE CA C 58.0 0.04 1 541 775 54 PHE CB C 43.5 0.04 1 542 775 54 PHE N N 117.9 0.15 1 543 776 55 ALA H H 7.41 0.01 1 544 776 55 ALA HA H 4.94 0.01 1 545 776 55 ALA HB H 0.98 0.01 1 546 776 55 ALA C C 175.4 0.04 1 547 776 55 ALA CA C 51.4 0.04 1 548 776 55 ALA CB C 22.2 0.04 1 549 776 55 ALA N N 127.7 0.15 1 550 777 56 SER H H 8.34 0.01 1 551 777 56 SER HA H 4.39 0.01 1 552 777 56 SER HB2 H 3.38 0.01 2 553 777 56 SER HB3 H 3.81 0.01 2 554 777 56 SER C C 173.2 0.04 1 555 777 56 SER CA C 59.0 0.04 1 556 777 56 SER CB C 65.1 0.04 1 557 777 56 SER N N 112.1 0.15 1 558 778 57 PHE H H 8.09 0.01 1 559 778 57 PHE HA H 5.45 0.01 1 560 778 57 PHE HB2 H 1.75 0.01 2 561 778 57 PHE HB3 H 2.28 0.01 2 562 778 57 PHE HD1 H 6.66 0.01 1 563 778 57 PHE HD2 H 6.66 0.01 1 564 778 57 PHE HE1 H 6.89 0.01 1 565 778 57 PHE HE2 H 6.89 0.01 1 566 778 57 PHE HZ H 6.78 0.01 1 567 778 57 PHE C C 174.1 0.04 1 568 778 57 PHE CA C 53.2 0.04 1 569 778 57 PHE CB C 38.9 0.04 1 570 778 57 PHE N N 128.0 0.15 1 571 779 58 GLY H H 8.56 0.01 1 572 779 58 GLY HA2 H 3.10 0.01 2 573 779 58 GLY HA3 H 4.11 0.01 2 574 779 58 GLY C C 171.3 0.04 1 575 779 58 GLY CA C 46.8 0.04 1 576 779 58 GLY N N 113.5 0.15 1 577 780 59 THR H H 8.52 0.01 1 578 780 59 THR HA H 4.96 0.01 1 579 780 59 THR HB H 4.53 0.01 1 580 780 59 THR HG1 H 5.14 0.01 1 581 780 59 THR HG2 H 1.10 0.01 1 582 780 59 THR CA C 56.9 0.04 1 583 780 59 THR CB C 69.9 0.04 1 584 780 59 THR CG2 C 21.5 0.04 1 585 780 59 THR N N 113.0 0.15 1 586 781 60 PRO HA H 4.74 0.01 1 587 781 60 PRO HB2 H 1.90 0.01 2 588 781 60 PRO HB3 H 2.15 0.01 2 589 781 60 PRO HG2 H 1.72 0.01 2 590 781 60 PRO HG3 H 1.86 0.01 2 591 781 60 PRO HD2 H 3.13 0.01 2 592 781 60 PRO HD3 H 3.49 0.01 2 593 781 60 PRO C C 175.6 0.04 1 594 781 60 PRO CA C 63.3 0.04 1 595 781 60 PRO CB C 32.5 0.04 1 596 781 60 PRO CG C 27.4 0.04 1 597 781 60 PRO CD C 50.6 0.04 1 598 782 61 LEU H H 8.75 0.01 1 599 782 61 LEU HA H 4.72 0.01 1 600 782 61 LEU HB2 H 1.48 0.01 2 601 782 61 LEU HB3 H 1.60 0.01 2 602 782 61 LEU HG H 1.57 0.01 1 603 782 61 LEU HD1 H 0.88 0.01 1 604 782 61 LEU HD2 H 0.90 0.01 1 605 782 61 LEU C C 177.3 0.04 1 606 782 61 LEU CA C 53.6 0.04 1 607 782 61 LEU CB C 44.9 0.04 1 608 782 61 LEU CG C 27.4 0.04 1 609 782 61 LEU CD1 C 25.4 0.04 1 610 782 61 LEU CD2 C 23.6 0.04 1 611 782 61 LEU N N 120.9 0.15 1 612 783 62 GLY H H 8.42 0.01 1 613 783 62 GLY HA2 H 3.63 0.01 2 614 783 62 GLY HA3 H 4.23 0.01 2 615 783 62 GLY C C 173.4 0.04 1 616 783 62 GLY CA C 44.6 0.04 1 617 783 62 GLY N N 105.4 0.15 1 618 784 63 THR H H 6.83 0.01 1 619 784 63 THR HA H 4.29 0.01 1 620 784 63 THR HB H 4.04 0.01 1 621 784 63 THR HG2 H 0.96 0.01 1 622 784 63 THR C C 171.7 0.04 1 623 784 63 THR CA C 58.9 0.04 1 624 784 63 THR CB C 71.2 0.04 1 625 784 63 THR CG2 C 20.6 0.04 1 626 784 63 THR N N 109.2 0.15 1 627 785 64 CYS H H 7.96 0.01 1 628 785 64 CYS HA H 3.47 0.01 1 629 785 64 CYS HB2 H 2.78 0.01 2 630 785 64 CYS HB3 H 2.93 0.01 2 631 785 64 CYS C C 175.3 0.04 1 632 785 64 CYS CA C 57.2 0.04 1 633 785 64 CYS CB C 37.9 0.04 1 634 785 64 CYS N N 117.3 0.15 1 635 786 65 GLY H H 7.69 0.01 1 636 786 65 GLY HA2 H 3.77 0.01 2 637 786 65 GLY HA3 H 4.34 0.01 2 638 786 65 GLY C C 175.5 0.04 1 639 786 65 GLY CA C 45.6 0.04 1 640 786 65 GLY N N 118.9 0.15 1 641 787 66 THR H H 8.61 0.01 1 642 787 66 THR HA H 4.46 0.01 1 643 787 66 THR HB H 4.40 0.01 1 644 787 66 THR HG2 H 0.94 0.01 1 645 787 66 THR C C 174.2 0.04 1 646 787 66 THR CA C 59.7 0.04 1 647 787 66 THR CB C 69.7 0.04 1 648 787 66 THR CG2 C 21.5 0.04 1 649 787 66 THR N N 112.6 0.15 1 650 788 67 PHE H H 7.36 0.01 1 651 788 67 PHE HA H 4.96 0.01 1 652 788 67 PHE HB2 H 1.43 0.01 2 653 788 67 PHE HB3 H 1.47 0.01 2 654 788 67 PHE HD1 H 6.95 0.01 1 655 788 67 PHE HD2 H 6.95 0.01 1 656 788 67 PHE HE1 H 7.20 0.01 1 657 788 67 PHE HE2 H 7.20 0.01 1 658 788 67 PHE HZ H 7.06 0.01 1 659 788 67 PHE C C 177.0 0.04 1 660 788 67 PHE CA C 57.8 0.04 1 661 788 67 PHE CB C 38.1 0.04 1 662 788 67 PHE N N 122.2 0.15 1 663 789 68 GLN H H 8.41 0.01 1 664 789 68 GLN HA H 4.49 0.01 1 665 789 68 GLN HB2 H 1.73 0.01 2 666 789 68 GLN HB3 H 2.04 0.01 2 667 789 68 GLN HG2 H 2.24 0.01 2 668 789 68 GLN HG3 H 2.28 0.01 2 669 789 68 GLN HE21 H 6.77 0.01 2 670 789 68 GLN HE22 H 7.55 0.01 2 671 789 68 GLN C C 174.7 0.04 1 672 789 68 GLN CA C 53.9 0.04 1 673 789 68 GLN CB C 33.8 0.04 1 674 789 68 GLN CG C 33.8 0.04 1 675 789 68 GLN CD C 180.7 0.04 1 676 789 68 GLN N N 116.9 0.15 1 677 789 68 GLN NE2 N 112.2 0.15 1 678 790 69 GLN H H 9.07 0.01 1 679 790 69 GLN HA H 3.92 0.01 1 680 790 69 GLN HB2 H 1.78 0.01 2 681 790 69 GLN HB3 H 1.89 0.01 2 682 790 69 GLN HG2 H 1.91 0.01 2 683 790 69 GLN HG3 H 2.09 0.01 2 684 790 69 GLN HE21 H 6.54 0.01 2 685 790 69 GLN HE22 H 7.36 0.01 2 686 790 69 GLN C C 176.1 0.04 1 687 790 69 GLN CA C 58.3 0.04 1 688 790 69 GLN CB C 29.2 0.04 1 689 790 69 GLN CG C 33.8 0.04 1 690 790 69 GLN CD C 179.0 0.04 1 691 790 69 GLN N N 123.0 0.15 1 692 790 69 GLN NE2 N 111.4 0.15 1 693 791 70 GLY H H 9.37 0.01 1 694 791 70 GLY HA2 H 3.99 0.01 2 695 791 70 GLY HA3 H 4.40 0.01 2 696 791 70 GLY C C 174.1 0.04 1 697 791 70 GLY CA C 42.8 0.04 1 698 791 70 GLY N N 114.4 0.15 1 699 792 71 GLU H H 8.72 0.01 1 700 792 71 GLU HA H 3.89 0.01 1 701 792 71 GLU HB2 H 1.95 0.01 1 702 792 71 GLU HB3 H 1.95 0.01 1 703 792 71 GLU HG2 H 2.24 0.01 2 704 792 71 GLU HG3 H 2.30 0.01 2 705 792 71 GLU C C 175.7 0.04 1 706 792 71 GLU CA C 58.8 0.04 1 707 792 71 GLU CB C 29.9 0.04 1 708 792 71 GLU CG C 36.4 0.04 1 709 792 71 GLU N N 118.0 0.15 1 710 793 72 CYS H H 6.95 0.01 1 711 793 72 CYS HA H 4.96 0.01 1 712 793 72 CYS HB2 H 2.87 0.01 2 713 793 72 CYS HB3 H 3.56 0.01 2 714 793 72 CYS CA C 52.9 0.04 1 715 793 72 CYS CB C 40.2 0.04 1 716 793 72 CYS N N 114.7 0.15 1 717 794 73 HIS HA H 4.59 0.01 1 718 794 73 HIS HB2 H 2.70 0.01 2 719 794 73 HIS HB3 H 2.95 0.01 2 720 794 73 HIS HD2 H 6.68 0.01 1 721 794 73 HIS HE1 H 8.19 0.01 1 722 794 73 HIS C C 173.1 0.04 1 723 794 73 HIS CA C 56.7 0.04 1 724 794 73 HIS CB C 33.9 0.04 1 725 795 74 SER H H 8.18 0.01 1 726 795 74 SER HA H 4.62 0.01 1 727 795 74 SER HB2 H 3.78 0.01 2 728 795 74 SER HB3 H 3.98 0.01 2 729 795 74 SER CA C 57.3 0.04 1 730 795 74 SER CB C 63.0 0.04 1 731 795 74 SER N N 119.5 0.15 1 732 796 75 ILE HA H 4.10 0.01 1 733 796 75 ILE HB H 2.12 0.01 1 734 796 75 ILE HG12 H 1.39 0.01 2 735 796 75 ILE HG13 H 1.46 0.01 2 736 796 75 ILE HG2 H 1.08 0.01 1 737 796 75 ILE HD1 H 0.97 0.01 1 738 796 75 ILE C C 176.2 0.04 1 739 796 75 ILE CA C 63.7 0.04 1 740 796 75 ILE CB C 38.0 0.04 1 741 796 75 ILE CG1 C 27.0 0.04 1 742 796 75 ILE CG2 C 17.6 0.04 1 743 796 75 ILE CD1 C 14.1 0.04 1 744 797 76 ASN H H 7.88 0.01 1 745 797 76 ASN HA H 5.00 0.01 1 746 797 76 ASN HB2 H 2.78 0.01 2 747 797 76 ASN HB3 H 3.04 0.01 2 748 797 76 ASN HD21 H 7.03 0.01 2 749 797 76 ASN HD22 H 7.63 0.01 2 750 797 76 ASN C C 175.0 0.04 1 751 797 76 ASN CA C 53.2 0.04 1 752 797 76 ASN CB C 38.9 0.04 1 753 797 76 ASN N N 118.3 0.15 1 754 797 76 ASN ND2 N 114.2 0.15 1 755 798 77 SER H H 7.71 0.01 1 756 798 77 SER HA H 4.07 0.01 1 757 798 77 SER HB2 H 3.26 0.01 1 758 798 77 SER HB3 H 3.26 0.01 1 759 798 77 SER HG H 6.38 0.01 1 760 798 77 SER C C 173.6 0.04 1 761 798 77 SER CA C 64.3 0.04 1 762 798 77 SER CB C 64.0 0.04 1 763 798 77 SER N N 114.8 0.15 1 764 799 78 ASN H H 8.40 0.01 1 765 799 78 ASN HA H 4.00 0.01 1 766 799 78 ASN HB2 H 2.65 0.01 2 767 799 78 ASN HB3 H 2.72 0.01 2 768 799 78 ASN HD21 H 6.81 0.01 2 769 799 78 ASN HD22 H 7.77 0.01 2 770 799 78 ASN C C 176.3 0.04 1 771 799 78 ASN CA C 57.7 0.04 1 772 799 78 ASN CB C 38.3 0.04 1 773 799 78 ASN CG C 176.4 0.04 1 774 799 78 ASN N N 117.0 0.15 1 775 799 78 ASN ND2 N 112.3 0.15 1 776 800 79 SER H H 8.38 0.01 1 777 800 79 SER HA H 4.09 0.01 1 778 800 79 SER HB2 H 3.91 0.01 1 779 800 79 SER HB3 H 3.91 0.01 1 780 800 79 SER C C 177.2 0.04 1 781 800 79 SER CA C 61.6 0.04 1 782 800 79 SER CB C 62.5 0.04 1 783 800 79 SER N N 114.9 0.15 1 784 801 80 VAL H H 7.96 0.01 1 785 801 80 VAL HA H 3.49 0.01 1 786 801 80 VAL HB H 1.74 0.01 1 787 801 80 VAL HG1 H 0.08 0.01 1 788 801 80 VAL HG2 H 0.80 0.01 1 789 801 80 VAL C C 177.2 0.04 1 790 801 80 VAL CA C 66.4 0.04 1 791 801 80 VAL CB C 31.4 0.04 1 792 801 80 VAL CG1 C 19.9 0.04 1 793 801 80 VAL CG2 C 23.5 0.04 1 794 801 80 VAL N N 121.1 0.15 1 795 802 81 LEU H H 7.06 0.01 1 796 802 81 LEU HA H 3.78 0.01 1 797 802 81 LEU HB2 H 1.33 0.01 2 798 802 81 LEU HB3 H 1.91 0.01 2 799 802 81 LEU HG H 1.81 0.01 1 800 802 81 LEU HD1 H 0.86 0.01 1 801 802 81 LEU HD2 H 0.88 0.01 1 802 802 81 LEU C C 179.0 0.04 1 803 802 81 LEU CA C 55.9 0.04 1 804 802 81 LEU CB C 40.1 0.04 1 805 802 81 LEU CG C 28.7 0.04 1 806 802 81 LEU CD1 C 25.8 0.04 1 807 802 81 LEU CD2 C 22.4 0.04 1 808 802 81 LEU N N 119.7 0.15 1 809 803 82 GLU H H 8.69 0.01 1 810 803 82 GLU HA H 3.68 0.01 1 811 803 82 GLU HB2 H 1.87 0.01 2 812 803 82 GLU HB3 H 2.11 0.01 2 813 803 82 GLU HG2 H 1.99 0.01 2 814 803 82 GLU HG3 H 2.47 0.01 2 815 803 82 GLU C C 179.1 0.04 1 816 803 82 GLU CA C 59.7 0.04 1 817 803 82 GLU CB C 30.0 0.04 1 818 803 82 GLU CG C 37.5 0.04 1 819 803 82 GLU N N 117.8 0.15 1 820 804 83 ARG H H 8.00 0.01 1 821 804 83 ARG HA H 3.97 0.01 1 822 804 83 ARG HB2 H 1.83 0.01 2 823 804 83 ARG HB3 H 1.93 0.01 2 824 804 83 ARG HG2 H 1.69 0.01 1 825 804 83 ARG HG3 H 1.69 0.01 1 826 804 83 ARG HD2 H 3.15 0.01 1 827 804 83 ARG HD3 H 3.15 0.01 1 828 804 83 ARG C C 179.2 0.04 1 829 804 83 ARG CA C 58.9 0.04 1 830 804 83 ARG CB C 30.1 0.04 1 831 804 83 ARG CG C 27.5 0.04 1 832 804 83 ARG CD C 43.5 0.04 1 833 804 83 ARG N N 117.9 0.15 1 834 805 84 LYS H H 7.91 0.01 1 835 805 84 LYS HA H 4.18 0.01 1 836 805 84 LYS HB2 H 1.70 0.01 2 837 805 84 LYS HB3 H 1.81 0.01 2 838 805 84 LYS HG2 H 1.36 0.01 2 839 805 84 LYS HG3 H 1.52 0.01 2 840 805 84 LYS HD2 H 1.62 0.01 1 841 805 84 LYS HD3 H 1.62 0.01 1 842 805 84 LYS HE2 H 2.87 0.01 1 843 805 84 LYS HE3 H 2.87 0.01 1 844 805 84 LYS C C 178.3 0.04 1 845 805 84 LYS CA C 57.3 0.04 1 846 805 84 LYS CB C 33.6 0.04 1 847 805 84 LYS CG C 25.4 0.04 1 848 805 84 LYS N N 114.2 0.15 1 849 806 85 CYS H H 7.55 0.01 1 850 806 85 CYS HA H 4.84 0.01 1 851 806 85 CYS HB2 H 3.02 0.01 2 852 806 85 CYS HB3 H 3.09 0.01 2 853 806 85 CYS C C 174.7 0.04 1 854 806 85 CYS CA C 57.0 0.04 1 855 806 85 CYS CB C 44.5 0.04 1 856 806 85 CYS N N 110.7 0.15 1 857 807 86 ILE H H 7.57 0.01 1 858 807 86 ILE HA H 3.67 0.01 1 859 807 86 ILE HB H 2.00 0.01 1 860 807 86 ILE HG12 H 1.05 0.01 2 861 807 86 ILE HG13 H 1.57 0.01 2 862 807 86 ILE HG2 H 0.85 0.01 1 863 807 86 ILE HD1 H 0.76 0.01 1 864 807 86 ILE C C 178.0 0.04 1 865 807 86 ILE CA C 63.6 0.04 1 866 807 86 ILE CB C 35.3 0.04 1 867 807 86 ILE CG1 C 29.3 0.04 1 868 807 86 ILE CG2 C 16.6 0.04 1 869 807 86 ILE CD1 C 11.9 0.04 1 870 807 86 ILE N N 117.5 0.15 1 871 808 87 GLY H H 9.41 0.01 1 872 808 87 GLY HA2 H 3.63 0.01 2 873 808 87 GLY HA3 H 4.33 0.01 2 874 808 87 GLY C C 173.7 0.04 1 875 808 87 GLY CA C 44.4 0.04 1 876 808 87 GLY N N 114.1 0.15 1 877 809 88 LEU H H 7.73 0.01 1 878 809 88 LEU HA H 4.76 0.01 1 879 809 88 LEU HB2 H 1.66 0.01 2 880 809 88 LEU HB3 H 1.81 0.01 2 881 809 88 LEU HG H 1.46 0.01 1 882 809 88 LEU HD1 H 1.04 0.01 1 883 809 88 LEU HD2 H 0.90 0.01 1 884 809 88 LEU C C 176.7 0.04 1 885 809 88 LEU CA C 53.5 0.04 1 886 809 88 LEU CB C 43.9 0.04 1 887 809 88 LEU CG C 27.3 0.04 1 888 809 88 LEU CD1 C 26.0 0.04 1 889 809 88 LEU CD2 C 22.9 0.04 1 890 809 88 LEU N N 120.0 0.15 1 891 810 89 GLU H H 8.77 0.01 1 892 810 89 GLU HA H 4.22 0.01 1 893 810 89 GLU HB2 H 1.92 0.01 2 894 810 89 GLU HB3 H 2.20 0.01 2 895 810 89 GLU HG2 H 2.14 0.01 2 896 810 89 GLU HG3 H 2.42 0.01 2 897 810 89 GLU C C 174.2 0.04 1 898 810 89 GLU CA C 58.6 0.04 1 899 810 89 GLU CB C 31.6 0.04 1 900 810 89 GLU CG C 36.6 0.04 1 901 810 89 GLU N N 121.2 0.15 1 902 811 90 ARG H H 7.28 0.01 1 903 811 90 ARG HA H 5.21 0.01 1 904 811 90 ARG HB2 H 1.82 0.01 1 905 811 90 ARG HB3 H 1.82 0.01 1 906 811 90 ARG HG2 H 1.51 0.01 1 907 811 90 ARG HG3 H 1.51 0.01 1 908 811 90 ARG HD2 H 3.16 0.01 1 909 811 90 ARG HD3 H 3.16 0.01 1 910 811 90 ARG C C 174.0 0.04 1 911 811 90 ARG CA C 53.5 0.04 1 912 811 90 ARG CB C 33.5 0.04 1 913 811 90 ARG CG C 26.5 0.04 1 914 811 90 ARG CD C 43.8 0.04 1 915 811 90 ARG N N 111.1 0.15 1 916 812 91 CYS H H 9.12 0.01 1 917 812 91 CYS HA H 4.92 0.01 1 918 812 91 CYS HB2 H 2.84 0.01 2 919 812 91 CYS HB3 H 3.32 0.01 2 920 812 91 CYS C C 171.6 0.04 1 921 812 91 CYS CA C 53.9 0.04 1 922 812 91 CYS CB C 46.4 0.04 1 923 812 91 CYS N N 118.3 0.15 1 924 813 92 VAL H H 8.45 0.01 1 925 813 92 VAL HA H 5.02 0.01 1 926 813 92 VAL HB H 1.75 0.01 1 927 813 92 VAL HG1 H 0.58 0.01 1 928 813 92 VAL HG2 H 0.58 0.01 1 929 813 92 VAL C C 175.1 0.04 1 930 813 92 VAL CA C 60.4 0.04 1 931 813 92 VAL CB C 33.9 0.04 1 932 813 92 VAL CG1 C 20.9 0.04 1 933 813 92 VAL CG2 C 20.9 0.04 1 934 813 92 VAL N N 124.5 0.15 1 935 814 93 VAL H H 8.65 0.01 1 936 814 93 VAL HA H 4.14 0.01 1 937 814 93 VAL HB H 1.67 0.01 1 938 814 93 VAL HG1 H 0.62 0.01 1 939 814 93 VAL HG2 H 0.69 0.01 1 940 814 93 VAL C C 174.6 0.04 1 941 814 93 VAL CA C 60.7 0.04 1 942 814 93 VAL CB C 35.4 0.04 1 943 814 93 VAL CG1 C 20.8 0.04 1 944 814 93 VAL CG2 C 21.4 0.04 1 945 814 93 VAL N N 126.1 0.15 1 946 815 94 ALA H H 8.57 0.01 1 947 815 94 ALA HA H 4.35 0.01 1 948 815 94 ALA HB H 1.20 0.01 1 949 815 94 ALA C C 177.2 0.04 1 950 815 94 ALA CA C 52.3 0.04 1 951 815 94 ALA CB C 18.6 0.04 1 952 815 94 ALA N N 129.9 0.15 1 953 816 95 ILE H H 8.62 0.01 1 954 816 95 ILE HA H 3.70 0.01 1 955 816 95 ILE HB H 1.75 0.01 1 956 816 95 ILE HG12 H 1.50 0.01 1 957 816 95 ILE HG13 H 1.50 0.01 1 958 816 95 ILE HG2 H 0.52 0.01 1 959 816 95 ILE HD1 H 0.59 0.01 1 960 816 95 ILE C C 173.6 0.04 1 961 816 95 ILE CA C 61.7 0.04 1 962 816 95 ILE CB C 36.3 0.04 1 963 816 95 ILE CG1 C 26.6 0.04 1 964 816 95 ILE CG2 C 18.0 0.04 1 965 816 95 ILE CD1 C 13.8 0.04 1 966 816 95 ILE N N 121.8 0.15 1 967 817 96 SER H H 6.99 0.01 1 968 817 96 SER HA H 5.08 0.01 1 969 817 96 SER HB2 H 3.73 0.01 2 970 817 96 SER HB3 H 4.07 0.01 2 971 817 96 SER CA C 54.6 0.04 1 972 817 96 SER CB C 64.5 0.04 1 973 817 96 SER N N 118.8 0.15 1 974 818 97 PRO HA H 4.36 0.01 1 975 818 97 PRO HB2 H 2.11 0.01 1 976 818 97 PRO HB3 H 2.11 0.01 1 977 818 97 PRO HG2 H 1.96 0.01 2 978 818 97 PRO HG3 H 2.39 0.01 2 979 818 97 PRO HD2 H 4.00 0.01 2 980 818 97 PRO HD3 H 4.16 0.01 2 981 818 97 PRO CB C 32.1 0.04 1 982 818 97 PRO CG C 28.3 0.04 1 983 818 97 PRO CD C 51.1 0.04 1 984 819 98 SER HA H 4.10 0.01 1 985 819 98 SER HB2 H 3.81 0.01 1 986 819 98 SER HB3 H 3.81 0.01 1 987 819 98 SER C C 177.0 0.04 1 988 819 98 SER CA C 61.4 0.04 1 989 819 98 SER CB C 62.2 0.04 1 990 820 99 ASN H H 7.67 0.01 1 991 820 99 ASN HA H 4.56 0.01 1 992 820 99 ASN HB2 H 2.17 0.01 2 993 820 99 ASN HB3 H 2.60 0.01 2 994 820 99 ASN HD21 H 6.87 0.01 2 995 820 99 ASN HD22 H 7.87 0.01 2 996 820 99 ASN C C 175.5 0.04 1 997 820 99 ASN CA C 54.2 0.04 1 998 820 99 ASN CB C 38.8 0.04 1 999 820 99 ASN N N 119.4 0.15 1 1000 820 99 ASN ND2 N 112.9 0.15 1 1001 821 100 PHE H H 7.38 0.01 1 1002 821 100 PHE HA H 4.40 0.01 1 1003 821 100 PHE HB2 H 2.51 0.01 2 1004 821 100 PHE HB3 H 3.67 0.01 2 1005 821 100 PHE HD1 H 6.89 0.01 1 1006 821 100 PHE HD2 H 6.89 0.01 1 1007 821 100 PHE HE1 H 6.97 0.01 1 1008 821 100 PHE HE2 H 6.97 0.01 1 1009 821 100 PHE HZ H 6.60 0.01 1 1010 821 100 PHE C C 174.7 0.04 1 1011 821 100 PHE CA C 58.7 0.04 1 1012 821 100 PHE CB C 40.7 0.04 1 1013 821 100 PHE N N 114.2 0.15 1 1014 822 101 GLY H H 7.72 0.01 1 1015 822 101 GLY HA2 H 3.82 0.01 2 1016 822 101 GLY HA3 H 3.96 0.01 2 1017 822 101 GLY C C 174.0 0.04 1 1018 822 101 GLY CA C 46.3 0.04 1 1019 822 101 GLY N N 108.3 0.15 1 1020 823 102 GLY H H 8.27 0.01 1 1021 823 102 GLY HA2 H 3.63 0.01 2 1022 823 102 GLY HA3 H 4.37 0.01 2 1023 823 102 GLY CA C 43.7 0.04 1 1024 823 102 GLY N N 108.5 0.15 1 1025 824 103 ASP HA H 4.79 0.01 1 1026 824 103 ASP HB2 H 2.38 0.01 2 1027 824 103 ASP HB3 H 2.98 0.01 2 1028 824 103 ASP CA C 50.4 0.04 1 1029 824 103 ASP CB C 42.4 0.04 1 1030 825 104 PRO HA H 4.45 0.01 1 1031 825 104 PRO HB2 H 2.07 0.01 1 1032 825 104 PRO HB3 H 2.07 0.01 1 1033 825 104 PRO HG2 H 1.96 0.01 1 1034 825 104 PRO HG3 H 1.96 0.01 1 1035 825 104 PRO HD2 H 3.79 0.01 1 1036 825 104 PRO HD3 H 3.79 0.01 1 1037 825 104 PRO C C 176.4 0.04 1 1038 825 104 PRO CA C 63.4 0.04 1 1039 825 104 PRO CB C 31.8 0.04 1 1040 826 105 CYS H H 8.28 0.01 1 1041 826 105 CYS HA H 4.76 0.01 1 1042 826 105 CYS HB2 H 3.12 0.01 2 1043 826 105 CYS HB3 H 3.27 0.01 2 1044 826 105 CYS CA C 54.6 0.04 1 1045 826 105 CYS CB C 44.6 0.04 1 1046 826 105 CYS N N 112.8 0.15 1 1047 827 106 PRO HA H 4.51 0.01 1 1048 827 106 PRO HB2 H 1.80 0.01 2 1049 827 106 PRO HB3 H 2.24 0.01 2 1050 827 106 PRO HG2 H 1.79 0.01 2 1051 827 106 PRO HG3 H 2.02 0.01 2 1052 827 106 PRO HD2 H 3.36 0.01 2 1053 827 106 PRO HD3 H 3.54 0.01 2 1054 827 106 PRO C C 177.0 0.04 1 1055 827 106 PRO CA C 64.0 0.04 1 1056 827 106 PRO CB C 32.4 0.04 1 1057 827 106 PRO CG C 27.4 0.04 1 1058 827 106 PRO CD C 50.1 0.04 1 1059 828 107 GLU H H 8.95 0.01 1 1060 828 107 GLU HA H 3.97 0.01 1 1061 828 107 GLU HB2 H 2.13 0.01 1 1062 828 107 GLU HB3 H 2.13 0.01 1 1063 828 107 GLU HG2 H 2.16 0.01 1 1064 828 107 GLU HG3 H 2.16 0.01 1 1065 828 107 GLU C C 175.3 0.04 1 1066 828 107 GLU CA C 57.5 0.04 1 1067 828 107 GLU CB C 28.0 0.04 1 1068 828 107 GLU CG C 36.6 0.04 1 1069 828 107 GLU N N 115.2 0.15 1 1070 829 108 VAL H H 7.47 0.01 1 1071 829 108 VAL HA H 4.12 0.01 1 1072 829 108 VAL HB H 1.99 0.01 1 1073 829 108 VAL HG1 H 0.79 0.01 1 1074 829 108 VAL HG2 H 0.74 0.01 1 1075 829 108 VAL C C 175.1 0.04 1 1076 829 108 VAL CA C 60.8 0.04 1 1077 829 108 VAL CB C 34.2 0.04 1 1078 829 108 VAL CG1 C 21.7 0.04 1 1079 829 108 VAL CG2 C 21.5 0.04 1 1080 829 108 VAL N N 120.4 0.15 1 1081 830 109 MET H H 8.35 0.01 1 1082 830 109 MET HA H 4.35 0.01 1 1083 830 109 MET HB2 H 1.93 0.01 2 1084 830 109 MET HB3 H 2.02 0.01 2 1085 830 109 MET HG2 H 2.42 0.01 2 1086 830 109 MET HG3 H 2.51 0.01 2 1087 830 109 MET C C 176.2 0.04 1 1088 830 109 MET CA C 56.1 0.04 1 1089 830 109 MET CB C 32.0 0.04 1 1090 830 109 MET CG C 32.0 0.04 1 1091 830 109 MET N N 125.5 0.15 1 1092 831 110 LYS H H 9.26 0.01 1 1093 831 110 LYS HA H 4.49 0.01 1 1094 831 110 LYS HB2 H 1.50 0.01 1 1095 831 110 LYS HB3 H 1.50 0.01 1 1096 831 110 LYS HG2 H 1.36 0.01 1 1097 831 110 LYS HG3 H 1.36 0.01 1 1098 831 110 LYS C C 175.7 0.04 1 1099 831 110 LYS CA C 55.4 0.04 1 1100 831 110 LYS CB C 36.0 0.04 1 1101 831 110 LYS N N 126.9 0.15 1 1102 832 111 ARG H H 9.14 0.01 1 1103 832 111 ARG HA H 5.18 0.01 1 1104 832 111 ARG HB2 H 1.46 0.01 2 1105 832 111 ARG HB3 H 1.82 0.01 2 1106 832 111 ARG HG2 H 1.44 0.01 2 1107 832 111 ARG HG3 H 1.60 0.01 2 1108 832 111 ARG HD2 H 3.10 0.01 2 1109 832 111 ARG HD3 H 3.20 0.01 2 1110 832 111 ARG C C 175.2 0.04 1 1111 832 111 ARG CA C 53.8 0.04 1 1112 832 111 ARG CB C 35.0 0.04 1 1113 832 111 ARG CG C 26.3 0.04 1 1114 832 111 ARG CD C 43.9 0.04 1 1115 832 111 ARG N N 117.2 0.15 1 1116 833 112 VAL H H 8.79 0.01 1 1117 833 112 VAL HA H 5.15 0.01 1 1118 833 112 VAL HB H 1.67 0.01 1 1119 833 112 VAL HG1 H 0.62 0.01 1 1120 833 112 VAL HG2 H 0.67 0.01 1 1121 833 112 VAL C C 173.2 0.04 1 1122 833 112 VAL CA C 61.2 0.04 1 1123 833 112 VAL CB C 33.3 0.04 1 1124 833 112 VAL CG1 C 21.7 0.04 1 1125 833 112 VAL CG2 C 24.2 0.04 1 1126 833 112 VAL N N 118.2 0.15 1 1127 834 113 ALA H H 8.09 0.01 1 1128 834 113 ALA HA H 5.14 0.01 1 1129 834 113 ALA HB H 0.21 0.01 1 1130 834 113 ALA C C 176.1 0.04 1 1131 834 113 ALA CA C 49.5 0.04 1 1132 834 113 ALA CB C 21.4 0.04 1 1133 834 113 ALA N N 128.0 0.15 1 1134 835 114 VAL H H 8.84 0.01 1 1135 835 114 VAL HA H 5.11 0.01 1 1136 835 114 VAL HB H 1.89 0.01 1 1137 835 114 VAL HG1 H 1.02 0.01 1 1138 835 114 VAL HG2 H 0.92 0.01 1 1139 835 114 VAL C C 173.7 0.04 1 1140 835 114 VAL CA C 59.3 0.04 1 1141 835 114 VAL CB C 36.0 0.04 1 1142 835 114 VAL CG1 C 21.6 0.04 1 1143 835 114 VAL CG2 C 22.1 0.04 1 1144 835 114 VAL N N 119.2 0.15 1 1145 836 115 GLU H H 9.35 0.01 1 1146 836 115 GLU HA H 5.22 0.01 1 1147 836 115 GLU HB2 H 2.13 0.01 2 1148 836 115 GLU HB3 H 2.28 0.01 2 1149 836 115 GLU HG2 H 2.15 0.01 2 1150 836 115 GLU HG3 H 2.52 0.01 2 1151 836 115 GLU C C 174.7 0.04 1 1152 836 115 GLU CA C 55.7 0.04 1 1153 836 115 GLU CB C 33.0 0.04 1 1154 836 115 GLU CG C 36.8 0.04 1 1155 836 115 GLU N N 125.9 0.15 1 1156 837 116 ALA H H 9.75 0.01 1 1157 837 116 ALA HA H 5.17 0.01 1 1158 837 116 ALA HB H 1.39 0.01 1 1159 837 116 ALA C C 174.7 0.04 1 1160 837 116 ALA CA C 50.0 0.04 1 1161 837 116 ALA CB C 23.1 0.04 1 1162 837 116 ALA N N 129.9 0.15 1 1163 838 117 VAL H H 8.52 0.01 1 1164 838 117 VAL HA H 4.48 0.01 1 1165 838 117 VAL HB H 1.91 0.01 1 1166 838 117 VAL HG1 H 0.89 0.01 2 1167 838 117 VAL HG2 H 0.84 0.01 2 1168 838 117 VAL C C 175.2 0.04 1 1169 838 117 VAL CA C 61.9 0.04 1 1170 838 117 VAL CB C 34.3 0.04 1 1171 838 117 VAL CG1 C 21.3 0.04 2 1172 838 117 VAL CG2 C 21.5 0.04 2 1173 838 117 VAL N N 120.9 0.15 1 1174 839 118 CYS H H 8.83 0.01 1 1175 839 118 CYS HA H 5.38 0.01 1 1176 839 118 CYS HB2 H 2.80 0.01 2 1177 839 118 CYS HB3 H 3.03 0.01 2 1178 839 118 CYS C C 174.2 0.04 1 1179 839 118 CYS CA C 55.1 0.04 1 1180 839 118 CYS CB C 44.9 0.04 1 1181 839 118 CYS N N 125.0 0.15 1 1182 840 119 SER H H 9.33 0.01 1 1183 840 119 SER HA H 5.18 0.01 1 1184 840 119 SER HB2 H 3.80 0.01 2 1185 840 119 SER HB3 H 3.89 0.01 2 1186 840 119 SER C C 174.1 0.04 1 1187 840 119 SER CA C 57.3 0.04 1 1188 840 119 SER CB C 66.6 0.04 1 1189 840 119 SER N N 115.3 0.15 1 1190 841 120 THR H H 8.49 0.01 1 1191 841 120 THR HA H 4.37 0.01 1 1192 841 120 THR HB H 4.18 0.01 1 1193 841 120 THR HG2 H 1.31 0.01 1 1194 841 120 THR C C 174.0 0.04 1 1195 841 120 THR CA C 63.1 0.04 1 1196 841 120 THR CB C 70.0 0.04 1 1197 841 120 THR CG2 C 22.1 0.04 1 1198 841 120 THR N N 117.3 0.15 1 1199 842 121 ALA H H 8.50 0.01 1 1200 842 121 ALA HA H 4.29 0.01 1 1201 842 121 ALA HB H 1.33 0.01 1 1202 842 121 ALA C C 176.4 0.04 1 1203 842 121 ALA CA C 52.7 0.04 1 1204 842 121 ALA CB C 19.3 0.04 1 1205 842 121 ALA N N 128.8 0.15 1 1206 843 122 ALA H H 7.99 0.01 1 1207 843 122 ALA HA H 4.07 0.01 1 1208 843 122 ALA HB H 1.28 0.01 1 1209 843 122 ALA CA C 53.8 0.04 1 1210 843 122 ALA CB C 20.2 0.04 1 1211 843 122 ALA N N 129.6 0.15 1 stop_ save_