data_17332 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the talin Vbs2b domain ; _BMRB_accession_number 17332 _BMRB_flat_file_name bmr17332.str _Entry_type original _Submission_date 2010-12-02 _Accession_date 2010-12-02 _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 Goult Benjamin T. . 2 Gingras Alexandre R. . 3 Bate Neil . . 4 Roberts Gordon C.K. . 5 Barsukov Igor L. . 6 Critchley David R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 713 "13C chemical shifts" 522 "15N chemical shifts" 148 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-07-25 original author . stop_ _Original_release_date 2012-07-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'High resolution NMR structure of gpW (W protein of bacteriophage lambda) at acidic pH' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goult Benjamin T. . 2 Gingras Alexandre R. . 3 Bate Neil . . 4 Roberts Gordon C.K. . 5 Barsukov Igor L. . 6 Critchley David R. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'focal adhesion' 'helical bundle' integrin rod talin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name vbs2b _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label vbs2b $Vbs2b stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Vbs2b _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Vbs2b _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; GIDPFTAHATGAGPAGRYDQ ATDTILTVTENIFSSMGDAG EMVRQARILAQATSDLVNAI KADAEGESDLENSRKLLSAA KILADATAKMVEAAKGAAAH PDSEEQQQRLREAAEGLRMA TNAAAQNAIKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 781 GLY 2 782 ILE 3 783 ASP 4 784 PRO 5 785 PHE 6 786 THR 7 787 ALA 8 788 HIS 9 789 ALA 10 790 THR 11 791 GLY 12 792 ALA 13 793 GLY 14 794 PRO 15 795 ALA 16 796 GLY 17 797 ARG 18 798 TYR 19 799 ASP 20 800 GLN 21 801 ALA 22 802 THR 23 803 ASP 24 804 THR 25 805 ILE 26 806 LEU 27 807 THR 28 808 VAL 29 809 THR 30 810 GLU 31 811 ASN 32 812 ILE 33 813 PHE 34 814 SER 35 815 SER 36 816 MET 37 817 GLY 38 818 ASP 39 819 ALA 40 820 GLY 41 821 GLU 42 822 MET 43 823 VAL 44 824 ARG 45 825 GLN 46 826 ALA 47 827 ARG 48 828 ILE 49 829 LEU 50 830 ALA 51 831 GLN 52 832 ALA 53 833 THR 54 834 SER 55 835 ASP 56 836 LEU 57 837 VAL 58 838 ASN 59 839 ALA 60 840 ILE 61 841 LYS 62 842 ALA 63 843 ASP 64 844 ALA 65 845 GLU 66 846 GLY 67 847 GLU 68 848 SER 69 849 ASP 70 850 LEU 71 851 GLU 72 852 ASN 73 853 SER 74 854 ARG 75 855 LYS 76 856 LEU 77 857 LEU 78 858 SER 79 859 ALA 80 860 ALA 81 861 LYS 82 862 ILE 83 863 LEU 84 864 ALA 85 865 ASP 86 866 ALA 87 867 THR 88 868 ALA 89 869 LYS 90 870 MET 91 871 VAL 92 872 GLU 93 873 ALA 94 874 ALA 95 875 LYS 96 876 GLY 97 877 ALA 98 878 ALA 99 879 ALA 100 880 HIS 101 881 PRO 102 882 ASP 103 883 SER 104 884 GLU 105 885 GLU 106 886 GLN 107 887 GLN 108 888 GLN 109 889 ARG 110 890 LEU 111 891 ARG 112 892 GLU 113 893 ALA 114 894 ALA 115 895 GLU 116 896 GLY 117 897 LEU 118 898 ARG 119 899 MET 120 900 ALA 121 901 THR 122 902 ASN 123 903 ALA 124 904 ALA 125 905 ALA 126 906 GLN 127 907 ASN 128 908 ALA 129 909 ILE 130 910 LYS 131 911 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1U89 "Solution Structure Of Vbs2 Fragment Of Talin" 78.63 139 100.00 100.00 1.23e-64 PDB 2L7A "Solution Structure Of The Talin Vbs2b Domain" 100.00 131 100.00 100.00 2.59e-86 DBJ BAA82979 "KIAA1027 protein [Homo sapiens]" 95.42 2550 100.00 100.00 4.99e-72 DBJ BAC65702 "mKIAA1027 protein [Mus musculus]" 95.42 2564 100.00 100.00 5.53e-72 DBJ BAE27781 "unnamed protein product [Mus musculus]" 95.42 2541 100.00 100.00 6.85e-72 DBJ BAG09941 "talin-1 [synthetic construct]" 95.42 2541 100.00 100.00 5.54e-72 EMBL CAA39588 "talin [Mus musculus]" 95.42 2541 100.00 100.00 6.40e-72 GB AAD13152 "talin [Homo sapiens]" 95.42 2541 99.20 99.20 1.02e-70 GB AAF23322 "talin [Homo sapiens]" 95.42 2541 99.20 99.20 9.42e-71 GB AAF27330 "talin [Homo sapiens]" 95.42 2540 100.00 100.00 4.88e-72 GB AAH42923 "Talin 1 [Homo sapiens]" 95.42 2541 100.00 100.00 5.54e-72 GB AAI00263 "Tln1 protein [Rattus norvegicus]" 68.70 1552 100.00 100.00 1.46e-46 PRF 1617167A talin 95.42 2541 100.00 100.00 6.40e-72 REF NP_001034114 "talin-1 [Rattus norvegicus]" 95.42 2541 100.00 100.00 5.13e-72 REF NP_001192357 "talin-1 [Bos taurus]" 95.42 2541 99.20 100.00 7.12e-71 REF NP_006280 "talin-1 [Homo sapiens]" 95.42 2541 100.00 100.00 5.54e-72 REF NP_035732 "talin-1 [Mus musculus]" 95.42 2541 100.00 100.00 6.85e-72 REF XP_001084941 "PREDICTED: talin-1 [Macaca mulatta]" 95.42 2428 99.20 100.00 3.09e-71 SP P26039 "RecName: Full=Talin-1" 95.42 2541 100.00 100.00 6.85e-72 SP Q9Y490 "RecName: Full=Talin-1" 95.42 2541 100.00 100.00 5.54e-72 TPG DAA26829 "TPA: talin 1 [Bos taurus]" 95.42 2541 97.60 98.40 8.87e-69 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Vbs2b Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $Vbs2b 'recombinant technology' . Escherichia coli BL21(DE3) * pet151 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Vbs2b 1 mM '[U-100% 15N]' D2O 10 % '[U-100% 2H]' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' TRIS 20 mM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_double _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Vbs2b 1 mM '[U-100% 13C; U-100% 15N]' D2O 10 % '[U-100% 2H]' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' TRIS 20 mM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_D20 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Vbs2b 1 mM '[U-100% 15N]' D2O 100 % '[U-100% 2H]' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' TRIS 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ save_CCPNAnalysis _Saveframe_category software _Name CCPNAnalysis _Version 1.15 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $double save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $D20 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $double save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $double save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $double save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $double save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $double 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' 50 0.1 mM pH 6.5 0.1 pH pressure 1 . atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $15N $double stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name vbs2b _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 1 782 2 ILE HA H 4.111 0.02 1 2 782 2 ILE HB H 1.708 0.02 1 3 782 2 ILE HG12 H 1.057 0.02 1 4 782 2 ILE HG13 H 1.328 0.02 1 5 782 2 ILE HG2 H 0.766 0.02 1 6 782 2 ILE HD1 H 0.741 0.02 1 7 782 2 ILE C C 175.700 0.2 1 8 782 2 ILE CA C 60.854 0.2 1 9 782 2 ILE CB C 38.996 0.2 1 10 782 2 ILE CG1 C 27.094 0.002 1 11 782 2 ILE CG2 C 17.407 0.2 1 12 782 2 ILE CD1 C 13.018 0.2 1 13 783 3 ASP H H 8.397 0.02 1 14 783 3 ASP HA H 4.780 0.02 1 15 783 3 ASP HB2 H 2.684 0.02 1 16 783 3 ASP HB3 H 2.484 0.02 1 17 783 3 ASP CA C 52.058 0.2 1 18 783 3 ASP CB C 41.259 0.001 1 19 783 3 ASP N N 126.432 0.2 1 20 784 4 PRO HA H 4.244 0.02 1 21 784 4 PRO HB2 H 1.560 0.02 1 22 784 4 PRO HB3 H 2.075 0.02 1 23 784 4 PRO HG2 H 1.821 0.02 1 24 784 4 PRO HG3 H 1.652 0.02 1 25 784 4 PRO HD2 H 3.785 0.02 1 26 784 4 PRO HD3 H 3.667 0.02 1 27 784 4 PRO C C 177.000 0.2 1 28 784 4 PRO CA C 63.527 0.2 1 29 784 4 PRO CB C 31.936 0.004 1 30 784 4 PRO CG C 26.895 0.2 1 31 784 4 PRO CD C 50.742 0.2 1 32 785 5 PHE H H 8.206 0.02 1 33 785 5 PHE HA H 4.490 0.02 1 34 785 5 PHE HB2 H 3.083 0.02 1 35 785 5 PHE HB3 H 3.002 0.02 1 36 785 5 PHE HD1 H 7.197 0.02 3 37 785 5 PHE HD2 H 7.197 0.02 3 38 785 5 PHE HE1 H 7.251 0.02 3 39 785 5 PHE HE2 H 7.251 0.02 3 40 785 5 PHE HZ H 7.188 0.02 1 41 785 5 PHE C C 176.215 0.2 1 42 785 5 PHE CA C 58.295 0.2 1 43 785 5 PHE CB C 38.901 0.2 1 44 785 5 PHE CD1 C 132.163 0.2 3 45 785 5 PHE CD2 C 132.163 0.2 3 46 785 5 PHE CE1 C 131.746 0.2 3 47 785 5 PHE CE2 C 131.746 0.2 3 48 785 5 PHE CZ C 130.100 0.2 1 49 785 5 PHE N N 118.835 0.2 1 50 786 6 THR H H 7.701 0.02 1 51 786 6 THR HA H 4.134 0.02 1 52 786 6 THR HB H 4.053 0.02 1 53 786 6 THR HG2 H 1.078 0.02 1 54 786 6 THR C C 174.042 0.2 1 55 786 6 THR CA C 61.996 0.2 1 56 786 6 THR CB C 69.726 0.2 1 57 786 6 THR CG2 C 21.486 0.2 1 58 786 6 THR N N 114.909 0.2 1 59 787 7 ALA H H 8.050 0.02 1 60 787 7 ALA HA H 4.119 0.02 1 61 787 7 ALA HB H 1.230 0.02 1 62 787 7 ALA C C 177.330 0.2 1 63 787 7 ALA CA C 52.711 0.2 1 64 787 7 ALA CB C 19.027 0.2 1 65 787 7 ALA N N 126.004 0.2 1 66 788 8 HIS H H 8.175 0.02 1 67 788 8 HIS HA H 4.538 0.02 1 68 788 8 HIS HB2 H 3.115 0.02 1 69 788 8 HIS HB3 H 3.023 0.02 1 70 788 8 HIS HD2 H 7.087 0.02 1 71 788 8 HIS C C 174.820 0.2 1 72 788 8 HIS CA C 55.455 0.2 1 73 788 8 HIS CB C 29.699 0.001 1 74 788 8 HIS CD2 C 120.576 0.2 1 75 788 8 HIS N N 117.614 0.2 1 76 789 9 ALA H H 8.241 0.02 1 77 789 9 ALA HA H 4.288 0.02 1 78 789 9 ALA HB H 1.295 0.02 1 79 789 9 ALA C C 177.870 0.2 1 80 789 9 ALA CA C 52.578 0.2 1 81 789 9 ALA CB C 19.228 0.2 1 82 789 9 ALA N N 125.323 0.2 1 83 790 10 THR H H 8.141 0.02 1 84 790 10 THR HA H 4.249 0.02 1 85 790 10 THR HB H 4.162 0.02 1 86 790 10 THR HG2 H 1.129 0.02 1 87 790 10 THR C C 175.225 0.2 1 88 790 10 THR CA C 61.992 0.2 1 89 790 10 THR CB C 69.801 0.2 1 90 790 10 THR CG2 C 21.508 0.2 1 91 790 10 THR N N 113.192 0.2 1 92 791 11 GLY H H 8.323 0.02 1 93 791 11 GLY HA2 H 3.889 0.02 1 94 791 11 GLY HA3 H 3.889 0.02 1 95 791 11 GLY C C 173.657 0.2 1 96 791 11 GLY CA C 45.256 0.2 1 97 791 11 GLY N N 111.269 0.2 1 98 792 12 ALA H H 8.120 0.02 1 99 792 12 ALA HA H 4.296 0.02 1 100 792 12 ALA HB H 1.292 0.02 1 101 792 12 ALA C C 177.786 0.2 1 102 792 12 ALA CA C 52.250 0.2 1 103 792 12 ALA CB C 19.593 0.2 1 104 792 12 ALA N N 123.650 0.2 1 105 793 13 GLY H H 8.150 0.02 1 106 793 13 GLY HA2 H 4.024 0.02 1 107 793 13 GLY HA3 H 3.922 0.02 1 108 793 13 GLY CA C 44.411 0.002 1 109 793 13 GLY N N 108.313 0.2 1 110 794 14 PRO HA H 4.311 0.02 1 111 794 14 PRO HB2 H 1.854 0.02 1 112 794 14 PRO HB3 H 2.169 0.02 1 113 794 14 PRO HG2 H 1.912 0.02 1 114 794 14 PRO HG3 H 1.912 0.02 1 115 794 14 PRO HD2 H 3.513 0.02 1 116 794 14 PRO HD3 H 3.513 0.02 1 117 794 14 PRO C C 176.800 0.2 1 118 794 14 PRO CA C 63.079 0.2 1 119 794 14 PRO CB C 32.105 0.002 1 120 794 14 PRO CG C 27.128 0.2 1 121 794 14 PRO CD C 49.662 0.2 1 122 795 15 ALA H H 8.358 0.02 1 123 795 15 ALA HA H 4.233 0.02 1 124 795 15 ALA HB H 1.317 0.02 1 125 795 15 ALA C C 178.204 0.2 1 126 795 15 ALA CA C 52.478 0.2 1 127 795 15 ALA CB C 19.436 0.2 1 128 795 15 ALA N N 124.330 0.2 1 129 796 16 GLY H H 8.444 0.02 1 130 796 16 GLY HA2 H 3.767 0.02 1 131 796 16 GLY HA3 H 4.072 0.02 1 132 796 16 GLY C C 175.470 0.2 1 133 796 16 GLY CA C 45.212 0.008 1 134 796 16 GLY N N 109.365 0.2 1 135 797 17 ARG H H 8.134 0.02 1 136 797 17 ARG HA H 3.861 0.02 1 137 797 17 ARG HB2 H 1.384 0.02 1 138 797 17 ARG HB3 H 1.140 0.02 1 139 797 17 ARG HG2 H 1.053 0.02 1 140 797 17 ARG HG3 H 1.053 0.02 1 141 797 17 ARG HD2 H 2.939 0.02 1 142 797 17 ARG HD3 H 2.858 0.02 1 143 797 17 ARG HE H 7.370 0.02 1 144 797 17 ARG HH11 H 6.707 0.02 1 145 797 17 ARG HH12 H 6.707 0.02 1 146 797 17 ARG HH21 H 6.707 0.02 1 147 797 17 ARG HH22 H 6.707 0.02 1 148 797 17 ARG C C 177.139 0.2 1 149 797 17 ARG CA C 58.257 0.2 1 150 797 17 ARG CB C 30.617 0.001 1 151 797 17 ARG CG C 26.650 0.2 1 152 797 17 ARG CD C 43.332 0.2 1 153 797 17 ARG N N 121.150 0.2 1 154 797 17 ARG NE N 84.903 0.2 1 155 797 17 ARG NH1 N 71.567 0.2 1 156 797 17 ARG NH2 N 71.567 0.2 1 157 798 18 TYR H H 8.365 0.02 1 158 798 18 TYR HA H 5.008 0.02 1 159 798 18 TYR HB2 H 3.344 0.02 1 160 798 18 TYR HB3 H 2.742 0.02 1 161 798 18 TYR HD1 H 6.925 0.02 3 162 798 18 TYR HD2 H 6.925 0.02 3 163 798 18 TYR HE1 H 6.536 0.02 3 164 798 18 TYR HE2 H 6.536 0.02 3 165 798 18 TYR C C 177.157 0.2 1 166 798 18 TYR CA C 55.847 0.2 1 167 798 18 TYR CB C 37.785 0.002 1 168 798 18 TYR CD1 C 132.865 0.2 3 169 798 18 TYR CD2 C 132.865 0.2 3 170 798 18 TYR CE1 C 118.600 0.2 3 171 798 18 TYR CE2 C 118.600 0.2 3 172 798 18 TYR N N 116.836 0.2 1 173 799 19 ASP H H 7.567 0.02 1 174 799 19 ASP HA H 4.236 0.02 1 175 799 19 ASP HB2 H 2.643 0.02 1 176 799 19 ASP HB3 H 2.599 0.02 1 177 799 19 ASP C C 177.414 0.2 1 178 799 19 ASP CA C 57.748 0.2 1 179 799 19 ASP CB C 40.053 0.2 1 180 799 19 ASP N N 121.878 0.2 1 181 800 20 GLN H H 8.449 0.02 1 182 800 20 GLN HA H 4.072 0.02 1 183 800 20 GLN HB2 H 2.032 0.02 1 184 800 20 GLN HB3 H 2.032 0.02 1 185 800 20 GLN HG2 H 2.368 0.02 1 186 800 20 GLN HG3 H 2.301 0.02 1 187 800 20 GLN HE21 H 7.473 0.02 1 188 800 20 GLN HE22 H 6.798 0.02 1 189 800 20 GLN C C 178.736 0.2 1 190 800 20 GLN CA C 59.192 0.2 1 191 800 20 GLN CB C 28.007 0.2 1 192 800 20 GLN CG C 34.143 0.001 1 193 800 20 GLN N N 119.231 0.2 1 194 800 20 GLN NE2 N 112.465 0.2 1 195 801 21 ALA H H 8.238 0.02 1 196 801 21 ALA HA H 4.176 0.02 1 197 801 21 ALA HB H 1.537 0.02 1 198 801 21 ALA C C 180.530 0.2 1 199 801 21 ALA CA C 54.997 0.2 1 200 801 21 ALA CB C 20.014 0.2 1 201 801 21 ALA N N 122.613 0.2 1 202 802 22 THR H H 8.413 0.02 1 203 802 22 THR HA H 3.729 0.02 1 204 802 22 THR HB H 4.134 0.02 1 205 802 22 THR HG2 H 1.163 0.02 1 206 802 22 THR C C 176.248 0.2 1 207 802 22 THR CA C 66.637 0.2 1 208 802 22 THR CB C 67.999 0.2 1 209 802 22 THR CG2 C 22.340 0.2 1 210 802 22 THR N N 111.425 0.2 1 211 803 23 ASP H H 8.218 0.02 1 212 803 23 ASP HA H 4.376 0.02 1 213 803 23 ASP HB2 H 2.808 0.02 1 214 803 23 ASP HB3 H 2.635 0.02 1 215 803 23 ASP C C 179.508 0.2 1 216 803 23 ASP CA C 57.838 0.2 1 217 803 23 ASP CB C 40.719 0.001 1 218 803 23 ASP N N 122.316 0.2 1 219 804 24 THR H H 7.947 0.02 1 220 804 24 THR HA H 3.869 0.02 1 221 804 24 THR HB H 4.331 0.02 1 222 804 24 THR HG2 H 1.091 0.02 1 223 804 24 THR C C 175.486 0.2 1 224 804 24 THR CA C 67.259 0.2 1 225 804 24 THR CB C 68.544 0.2 1 226 804 24 THR CG2 C 21.426 0.2 1 227 804 24 THR N N 117.876 0.2 1 228 805 25 ILE H H 7.882 0.02 1 229 805 25 ILE HA H 3.294 0.02 1 230 805 25 ILE HB H 1.850 0.02 1 231 805 25 ILE HG12 H 0.852 0.02 1 232 805 25 ILE HG13 H 1.697 0.02 1 233 805 25 ILE HG2 H 0.730 0.02 1 234 805 25 ILE HD1 H 0.715 0.02 1 235 805 25 ILE C C 178.735 0.2 1 236 805 25 ILE CA C 66.248 0.2 1 237 805 25 ILE CB C 38.436 0.2 1 238 805 25 ILE CG1 C 30.485 0.005 1 239 805 25 ILE CG2 C 16.752 0.2 1 240 805 25 ILE CD1 C 15.605 0.2 1 241 805 25 ILE N N 121.793 0.2 1 242 806 26 LEU H H 8.460 0.02 1 243 806 26 LEU HA H 3.946 0.02 1 244 806 26 LEU HB2 H 1.953 0.02 1 245 806 26 LEU HB3 H 1.479 0.02 1 246 806 26 LEU HG H 1.862 0.02 1 247 806 26 LEU HD1 H 0.805 0.02 1 248 806 26 LEU HD2 H 0.863 0.02 1 249 806 26 LEU C C 179.843 0.2 1 250 806 26 LEU CA C 58.463 0.2 1 251 806 26 LEU CB C 40.694 0.001 1 252 806 26 LEU CG C 26.865 0.2 1 253 806 26 LEU CD1 C 22.351 0.2 1 254 806 26 LEU CD2 C 25.179 0.2 1 255 806 26 LEU N N 121.018 0.2 1 256 807 27 THR H H 8.291 0.02 1 257 807 27 THR HA H 3.900 0.02 1 258 807 27 THR HB H 4.302 0.02 1 259 807 27 THR HG2 H 1.171 0.02 1 260 807 27 THR C C 176.270 0.2 1 261 807 27 THR CA C 66.908 0.2 1 262 807 27 THR CB C 68.823 0.2 1 263 807 27 THR CG2 C 21.420 0.2 1 264 807 27 THR N N 118.417 0.2 1 265 808 28 VAL H H 8.541 0.02 1 266 808 28 VAL HA H 3.642 0.02 1 267 808 28 VAL HB H 1.967 0.02 1 268 808 28 VAL HG1 H 1.002 0.02 1 269 808 28 VAL HG2 H 1.009 0.02 1 270 808 28 VAL C C 178.149 0.2 1 271 808 28 VAL CA C 66.739 0.2 1 272 808 28 VAL CB C 31.154 0.2 1 273 808 28 VAL CG1 C 23.259 0.2 1 274 808 28 VAL CG2 C 23.568 0.2 1 275 808 28 VAL N N 122.390 0.2 1 276 809 29 THR H H 7.971 0.02 1 277 809 29 THR HA H 3.571 0.02 1 278 809 29 THR HB H 4.224 0.02 1 279 809 29 THR HG2 H 1.168 0.02 1 280 809 29 THR C C 176.043 0.2 1 281 809 29 THR CA C 68.745 0.2 1 282 809 29 THR CB C 68.012 0.2 1 283 809 29 THR CG2 C 21.750 0.2 1 284 809 29 THR N N 115.165 0.2 1 285 810 30 GLU H H 7.443 0.02 1 286 810 30 GLU HA H 4.142 0.02 1 287 810 30 GLU HB2 H 2.117 0.02 1 288 810 30 GLU HB3 H 2.172 0.02 1 289 810 30 GLU HG2 H 2.363 0.02 1 290 810 30 GLU HG3 H 2.317 0.02 1 291 810 30 GLU C C 179.344 0.2 1 292 810 30 GLU CA C 59.313 0.2 1 293 810 30 GLU CB C 28.786 0.001 1 294 810 30 GLU CG C 35.778 0.004 1 295 810 30 GLU N N 119.362 0.2 1 296 811 31 ASN H H 8.153 0.02 1 297 811 31 ASN HA H 4.474 0.02 1 298 811 31 ASN HB2 H 3.110 0.02 1 299 811 31 ASN HB3 H 2.675 0.02 1 300 811 31 ASN HD21 H 7.101 0.02 1 301 811 31 ASN HD22 H 6.784 0.02 1 302 811 31 ASN C C 178.708 0.2 1 303 811 31 ASN CA C 55.188 0.2 1 304 811 31 ASN CB C 37.478 0.005 1 305 811 31 ASN N N 119.160 0.2 1 306 811 31 ASN ND2 N 109.453 0.2 1 307 812 32 ILE H H 8.062 0.02 1 308 812 32 ILE HA H 3.362 0.02 1 309 812 32 ILE HB H 1.967 0.02 1 310 812 32 ILE HG12 H 0.867 0.02 1 311 812 32 ILE HG13 H 1.843 0.02 1 312 812 32 ILE HG2 H 0.493 0.02 1 313 812 32 ILE HD1 H 0.640 0.02 1 314 812 32 ILE C C 176.869 0.2 1 315 812 32 ILE CA C 66.708 0.2 1 316 812 32 ILE CB C 37.199 0.2 1 317 812 32 ILE CG1 C 30.766 0.001 1 318 812 32 ILE CG2 C 17.231 0.2 1 319 812 32 ILE CD1 C 14.195 0.2 1 320 812 32 ILE N N 122.709 0.2 1 321 813 33 PHE H H 7.273 0.02 1 322 813 33 PHE HA H 4.063 0.02 1 323 813 33 PHE HB2 H 3.142 0.02 1 324 813 33 PHE HB3 H 3.179 0.02 1 325 813 33 PHE HD1 H 7.337 0.02 3 326 813 33 PHE HD2 H 7.337 0.02 3 327 813 33 PHE HE1 H 7.128 0.02 3 328 813 33 PHE HE2 H 7.128 0.02 3 329 813 33 PHE HZ H 7.032 0.02 1 330 813 33 PHE C C 179.442 0.2 1 331 813 33 PHE CA C 61.613 0.2 1 332 813 33 PHE CB C 38.415 0.2 1 333 813 33 PHE CD1 C 132.168 0.2 3 334 813 33 PHE CD2 C 132.168 0.2 3 335 813 33 PHE CE1 C 131.254 0.2 3 336 813 33 PHE CE2 C 131.254 0.2 3 337 813 33 PHE CZ C 129.315 0.2 1 338 813 33 PHE N N 116.316 0.2 1 339 814 34 SER H H 8.520 0.02 1 340 814 34 SER HA H 4.352 0.02 1 341 814 34 SER HB2 H 3.960 0.02 1 342 814 34 SER HB3 H 4.029 0.02 1 343 814 34 SER C C 175.067 0.2 1 344 814 34 SER CA C 60.581 0.2 1 345 814 34 SER CB C 63.017 0.001 1 346 814 34 SER N N 114.882 0.2 1 347 815 35 SER H H 7.455 0.02 1 348 815 35 SER HA H 4.548 0.02 1 349 815 35 SER HB2 H 3.943 0.02 1 350 815 35 SER HB3 H 3.773 0.02 1 351 815 35 SER C C 172.702 0.2 1 352 815 35 SER CA C 58.341 0.2 1 353 815 35 SER CB C 63.682 0.013 1 354 815 35 SER N N 115.816 0.2 1 355 816 36 MET H H 7.041 0.02 1 356 816 36 MET HA H 4.458 0.02 1 357 816 36 MET HB2 H 2.075 0.02 1 358 816 36 MET HB3 H 2.020 0.02 1 359 816 36 MET HG2 H 2.607 0.02 1 360 816 36 MET HG3 H 2.607 0.02 1 361 816 36 MET HE H 1.994 0.02 1 362 816 36 MET C C 176.655 0.2 1 363 816 36 MET CA C 57.268 0.2 1 364 816 36 MET CB C 31.794 0.003 1 365 816 36 MET CG C 31.905 0.2 1 366 816 36 MET CE C 16.754 0.2 1 367 816 36 MET N N 119.612 0.2 1 368 817 37 GLY H H 8.114 0.02 1 369 817 37 GLY HA2 H 4.224 0.02 1 370 817 37 GLY HA3 H 3.674 0.02 1 371 817 37 GLY C C 173.458 0.2 1 372 817 37 GLY CA C 45.126 0.005 1 373 817 37 GLY N N 112.696 0.2 1 374 818 38 ASP H H 8.210 0.02 1 375 818 38 ASP HA H 4.784 0.02 1 376 818 38 ASP HB2 H 3.107 0.02 1 377 818 38 ASP HB3 H 2.301 0.02 1 378 818 38 ASP C C 174.888 0.2 1 379 818 38 ASP CA C 52.046 0.2 1 380 818 38 ASP CB C 40.893 0.003 1 381 818 38 ASP N N 122.201 0.2 1 382 819 39 ALA H H 8.585 0.02 1 383 819 39 ALA HA H 3.857 0.02 1 384 819 39 ALA HB H 1.390 0.02 1 385 819 39 ALA C C 179.940 0.2 1 386 819 39 ALA CA C 55.800 0.2 1 387 819 39 ALA CB C 18.993 0.2 1 388 819 39 ALA N N 126.677 0.2 1 389 820 40 GLY H H 8.415 0.02 1 390 820 40 GLY HA2 H 3.668 0.02 1 391 820 40 GLY HA3 H 3.883 0.02 1 392 820 40 GLY C C 176.748 0.2 1 393 820 40 GLY CA C 46.934 0.013 1 394 820 40 GLY N N 103.770 0.2 1 395 821 41 GLU H H 7.756 0.02 1 396 821 41 GLU HA H 4.309 0.02 1 397 821 41 GLU HB2 H 1.817 0.02 1 398 821 41 GLU HB3 H 1.943 0.02 1 399 821 41 GLU HG2 H 2.384 0.02 1 400 821 41 GLU HG3 H 2.214 0.02 1 401 821 41 GLU C C 178.591 0.2 1 402 821 41 GLU CA C 57.593 0.2 1 403 821 41 GLU CB C 29.587 0.002 1 404 821 41 GLU CG C 35.231 0.002 1 405 821 41 GLU N N 124.464 0.2 1 406 822 42 MET H H 8.478 0.02 1 407 822 42 MET HA H 3.703 0.02 1 408 822 42 MET HB2 H 2.114 0.02 1 409 822 42 MET HB3 H 1.890 0.02 1 410 822 42 MET HG2 H 2.250 0.02 1 411 822 42 MET HG3 H 2.680 0.02 1 412 822 42 MET HE H 1.874 0.02 1 413 822 42 MET C C 178.391 0.2 1 414 822 42 MET CA C 60.649 0.2 1 415 822 42 MET CB C 34.082 0.004 1 416 822 42 MET CG C 32.632 0.001 1 417 822 42 MET CE C 17.105 0.2 1 418 822 42 MET N N 119.423 0.2 1 419 823 43 VAL H H 7.756 0.02 1 420 823 43 VAL HA H 3.469 0.02 1 421 823 43 VAL HB H 2.035 0.02 1 422 823 43 VAL HG1 H 0.848 0.02 1 423 823 43 VAL HG2 H 0.945 0.02 1 424 823 43 VAL C C 177.930 0.2 1 425 823 43 VAL CA C 66.618 0.2 1 426 823 43 VAL CB C 31.565 0.2 1 427 823 43 VAL CG1 C 21.044 0.2 1 428 823 43 VAL CG2 C 23.253 0.2 1 429 823 43 VAL N N 115.949 0.2 1 430 824 44 ARG H H 7.859 0.02 1 431 824 44 ARG HA H 3.861 0.02 1 432 824 44 ARG HB2 H 1.881 0.02 1 433 824 44 ARG HB3 H 1.881 0.02 1 434 824 44 ARG HG2 H 1.649 0.02 1 435 824 44 ARG HG3 H 1.292 0.02 1 436 824 44 ARG HD2 H 3.223 0.02 1 437 824 44 ARG HD3 H 3.066 0.02 1 438 824 44 ARG HE H 8.023 0.02 1 439 824 44 ARG HH11 H 6.844 0.02 1 440 824 44 ARG HH12 H 6.844 0.02 1 441 824 44 ARG HH21 H 6.844 0.02 1 442 824 44 ARG HH22 H 6.844 0.02 1 443 824 44 ARG C C 179.943 0.2 1 444 824 44 ARG CA C 60.366 0.2 1 445 824 44 ARG CB C 30.956 0.2 1 446 824 44 ARG CG C 28.597 0.002 1 447 824 44 ARG CD C 43.164 0.001 1 448 824 44 ARG N N 122.392 0.2 1 449 824 44 ARG NE N 83.757 0.2 1 450 824 44 ARG NH1 N 71.504 0.2 1 451 824 44 ARG NH2 N 71.504 0.2 1 452 825 45 GLN H H 8.429 0.02 1 453 825 45 GLN HA H 3.902 0.02 1 454 825 45 GLN HB2 H 2.109 0.02 1 455 825 45 GLN HB3 H 1.837 0.02 1 456 825 45 GLN HG2 H 2.551 0.02 1 457 825 45 GLN HG3 H 2.008 0.02 1 458 825 45 GLN HE21 H 6.261 0.02 1 459 825 45 GLN HE22 H 7.380 0.02 1 460 825 45 GLN C C 177.941 0.2 1 461 825 45 GLN CA C 58.076 0.2 1 462 825 45 GLN CB C 28.061 0.009 1 463 825 45 GLN CG C 33.170 0.004 1 464 825 45 GLN N N 116.658 0.2 1 465 825 45 GLN NE2 N 110.527 0.2 1 466 826 46 ALA H H 8.212 0.02 1 467 826 46 ALA HA H 3.880 0.02 1 468 826 46 ALA HB H 1.421 0.02 1 469 826 46 ALA C C 178.976 0.2 1 470 826 46 ALA CA C 55.363 0.2 1 471 826 46 ALA CB C 17.627 0.2 1 472 826 46 ALA N N 121.578 0.2 1 473 827 47 ARG H H 7.867 0.02 1 474 827 47 ARG HA H 3.997 0.02 1 475 827 47 ARG HB2 H 1.906 0.02 1 476 827 47 ARG HB3 H 1.928 0.02 1 477 827 47 ARG HG2 H 1.532 0.02 1 478 827 47 ARG HG3 H 1.777 0.02 1 479 827 47 ARG HD2 H 3.099 0.02 1 480 827 47 ARG HD3 H 3.099 0.02 1 481 827 47 ARG HE H 7.329 0.02 1 482 827 47 ARG C C 179.684 0.2 1 483 827 47 ARG CA C 59.627 0.2 1 484 827 47 ARG CB C 29.664 0.001 1 485 827 47 ARG CG C 27.773 0.004 1 486 827 47 ARG CD C 43.484 0.2 1 487 827 47 ARG N N 118.473 0.2 1 488 827 47 ARG NE N 84.020 0.2 1 489 828 48 ILE H H 7.581 0.02 1 490 828 48 ILE HA H 3.633 0.02 1 491 828 48 ILE HB H 1.967 0.02 1 492 828 48 ILE HG12 H 0.964 0.02 1 493 828 48 ILE HG13 H 1.711 0.02 1 494 828 48 ILE HG2 H 0.844 0.02 1 495 828 48 ILE HD1 H 0.721 0.02 1 496 828 48 ILE C C 178.946 0.2 1 497 828 48 ILE CA C 65.321 0.2 1 498 828 48 ILE CB C 37.592 0.2 1 499 828 48 ILE CG1 C 28.944 0.001 1 500 828 48 ILE CG2 C 17.618 0.2 1 501 828 48 ILE CD1 C 13.169 0.2 1 502 828 48 ILE N N 122.980 0.2 1 503 829 49 LEU H H 8.599 0.02 1 504 829 49 LEU HA H 3.819 0.02 1 505 829 49 LEU HB2 H 2.034 0.02 1 506 829 49 LEU HB3 H 1.558 0.02 1 507 829 49 LEU HG H 1.006 0.02 1 508 829 49 LEU HD1 H 0.759 0.02 1 509 829 49 LEU HD2 H 0.890 0.02 1 510 829 49 LEU C C 178.226 0.2 1 511 829 49 LEU CA C 57.918 0.2 1 512 829 49 LEU CB C 41.232 0.001 1 513 829 49 LEU CG C 23.534 0.2 1 514 829 49 LEU CD1 C 26.635 0.2 1 515 829 49 LEU CD2 C 24.732 0.2 1 516 829 49 LEU N N 122.135 0.2 1 517 830 50 ALA H H 8.175 0.02 1 518 830 50 ALA HA H 3.863 0.02 1 519 830 50 ALA HB H 1.389 0.02 1 520 830 50 ALA C C 180.198 0.2 1 521 830 50 ALA CA C 55.072 0.2 1 522 830 50 ALA CB C 17.734 0.2 1 523 830 50 ALA N N 120.916 0.2 1 524 831 51 GLN H H 7.688 0.02 1 525 831 51 GLN HA H 3.943 0.02 1 526 831 51 GLN HB2 H 2.136 0.02 1 527 831 51 GLN HB3 H 2.136 0.02 1 528 831 51 GLN HG2 H 2.324 0.02 1 529 831 51 GLN HG3 H 2.324 0.02 1 530 831 51 GLN HE21 H 7.581 0.02 1 531 831 51 GLN HE22 H 6.743 0.02 1 532 831 51 GLN C C 177.163 0.2 1 533 831 51 GLN CA C 58.467 0.2 1 534 831 51 GLN CB C 28.381 0.2 1 535 831 51 GLN CG C 33.662 0.2 1 536 831 51 GLN N N 119.301 0.2 1 537 831 51 GLN NE2 N 114.651 0.2 1 538 832 52 ALA H H 8.360 0.02 1 539 832 52 ALA HA H 4.198 0.02 1 540 832 52 ALA HB H 1.431 0.02 1 541 832 52 ALA C C 181.636 0.2 1 542 832 52 ALA CA C 55.005 0.2 1 543 832 52 ALA CB C 17.780 0.2 1 544 832 52 ALA N N 122.341 0.2 1 545 833 53 THR H H 8.709 0.02 1 546 833 53 THR HA H 3.848 0.02 1 547 833 53 THR HB H 4.053 0.02 1 548 833 53 THR HG2 H 1.105 0.02 1 549 833 53 THR C C 176.121 0.2 1 550 833 53 THR CA C 66.913 0.2 1 551 833 53 THR CB C 67.671 0.2 1 552 833 53 THR CG2 C 22.513 0.2 1 553 833 53 THR N N 114.266 0.2 1 554 834 54 SER H H 8.008 0.02 1 555 834 54 SER HA H 4.005 0.02 1 556 834 54 SER HB2 H 3.950 0.02 1 557 834 54 SER HB3 H 3.950 0.02 1 558 834 54 SER C C 176.555 0.2 1 559 834 54 SER CA C 62.082 0.2 1 560 834 54 SER CB C 62.516 0.2 1 561 834 54 SER N N 118.478 0.2 1 562 835 55 ASP H H 8.117 0.02 1 563 835 55 ASP HA H 4.392 0.02 1 564 835 55 ASP HB2 H 2.781 0.02 1 565 835 55 ASP HB3 H 2.608 0.02 1 566 835 55 ASP C C 178.971 0.2 1 567 835 55 ASP CA C 57.469 0.2 1 568 835 55 ASP CB C 39.973 0.001 1 569 835 55 ASP N N 120.218 0.2 1 570 836 56 LEU H H 7.597 0.02 1 571 836 56 LEU HA H 4.248 0.02 1 572 836 56 LEU HB2 H 1.904 0.02 1 573 836 56 LEU HB3 H 1.392 0.02 1 574 836 56 LEU HG H 1.243 0.02 1 575 836 56 LEU HD1 H 0.654 0.02 1 576 836 56 LEU HD2 H 0.692 0.02 1 577 836 56 LEU C C 177.676 0.2 1 578 836 56 LEU CA C 57.796 0.2 1 579 836 56 LEU CB C 40.891 0.006 1 580 836 56 LEU CG C 27.068 0.2 1 581 836 56 LEU CD1 C 26.907 0.2 1 582 836 56 LEU CD2 C 22.965 0.2 1 583 836 56 LEU N N 122.963 0.2 1 584 837 57 VAL H H 9.044 0.02 1 585 837 57 VAL HA H 3.274 0.02 1 586 837 57 VAL HB H 2.190 0.02 1 587 837 57 VAL HG1 H 0.849 0.02 1 588 837 57 VAL HG2 H 0.995 0.02 1 589 837 57 VAL C C 177.755 0.2 1 590 837 57 VAL CA C 67.644 0.2 1 591 837 57 VAL CB C 31.439 0.2 1 592 837 57 VAL CG1 C 21.395 0.2 1 593 837 57 VAL CG2 C 23.791 0.2 1 594 837 57 VAL N N 120.093 0.2 1 595 838 58 ASN H H 8.109 0.02 1 596 838 58 ASN HA H 4.355 0.02 1 597 838 58 ASN HB2 H 2.865 0.02 1 598 838 58 ASN HB3 H 2.709 0.02 1 599 838 58 ASN HD21 H 7.604 0.02 1 600 838 58 ASN HD22 H 6.795 0.02 1 601 838 58 ASN C C 178.142 0.2 1 602 838 58 ASN CA C 56.087 0.2 1 603 838 58 ASN CB C 37.599 0.003 1 604 838 58 ASN N N 116.464 0.2 1 605 838 58 ASN ND2 N 112.798 0.2 1 606 839 59 ALA H H 7.799 0.02 1 607 839 59 ALA HA H 4.167 0.02 1 608 839 59 ALA HB H 1.570 0.02 1 609 839 59 ALA C C 179.597 0.2 1 610 839 59 ALA CA C 55.388 0.2 1 611 839 59 ALA CB C 17.836 0.2 1 612 839 59 ALA N N 125.653 0.2 1 613 840 60 ILE H H 8.559 0.02 1 614 840 60 ILE HA H 3.730 0.02 1 615 840 60 ILE HB H 1.609 0.02 1 616 840 60 ILE HG12 H 0.362 0.02 1 617 840 60 ILE HG13 H 1.378 0.02 1 618 840 60 ILE HG2 H 0.782 0.02 1 619 840 60 ILE HD1 H 0.317 0.02 1 620 840 60 ILE C C 178.697 0.2 1 621 840 60 ILE CA C 65.608 0.2 1 622 840 60 ILE CB C 37.988 0.2 1 623 840 60 ILE CG1 C 28.720 0.2 1 624 840 60 ILE CG2 C 19.784 0.2 1 625 840 60 ILE CD1 C 13.768 0.2 1 626 840 60 ILE N N 119.884 0.2 1 627 841 61 LYS H H 8.498 0.02 1 628 841 61 LYS HA H 3.705 0.02 1 629 841 61 LYS HB2 H 1.787 0.02 1 630 841 61 LYS HB3 H 1.787 0.02 1 631 841 61 LYS HG2 H 1.607 0.02 1 632 841 61 LYS HG3 H 1.128 0.02 1 633 841 61 LYS HD2 H 1.540 0.02 1 634 841 61 LYS HD3 H 1.584 0.02 1 635 841 61 LYS HE2 H 2.823 0.02 1 636 841 61 LYS HE3 H 2.755 0.02 1 637 841 61 LYS C C 179.020 0.2 1 638 841 61 LYS CA C 60.642 0.2 1 639 841 61 LYS CB C 32.214 0.2 1 640 841 61 LYS CG C 26.162 0.003 1 641 841 61 LYS CD C 29.774 0.001 1 642 841 61 LYS CE C 41.794 0.2 1 643 841 61 LYS N N 118.456 0.2 1 644 842 62 ALA H H 7.754 0.02 1 645 842 62 ALA HA H 4.124 0.02 1 646 842 62 ALA HB H 1.458 0.02 1 647 842 62 ALA C C 181.167 0.2 1 648 842 62 ALA CA C 55.013 0.2 1 649 842 62 ALA CB C 17.715 0.2 1 650 842 62 ALA N N 121.766 0.2 1 651 843 63 ASP H H 8.234 0.02 1 652 843 63 ASP HA H 4.392 0.02 1 653 843 63 ASP HB2 H 3.017 0.02 1 654 843 63 ASP HB3 H 2.575 0.02 1 655 843 63 ASP C C 179.366 0.2 1 656 843 63 ASP CA C 56.957 0.2 1 657 843 63 ASP CB C 39.629 0.003 1 658 843 63 ASP N N 121.171 0.2 1 659 844 64 ALA H H 8.789 0.02 1 660 844 64 ALA HA H 3.902 0.02 1 661 844 64 ALA HB H 1.538 0.02 1 662 844 64 ALA C C 180.359 0.2 1 663 844 64 ALA CA C 55.160 0.2 1 664 844 64 ALA CB C 18.385 0.2 1 665 844 64 ALA N N 123.120 0.2 1 666 845 65 GLU H H 7.857 0.02 1 667 845 65 GLU HA H 4.015 0.02 1 668 845 65 GLU HB2 H 2.080 0.02 1 669 845 65 GLU HB3 H 2.031 0.02 1 670 845 65 GLU HG2 H 2.410 0.02 1 671 845 65 GLU HG3 H 2.247 0.02 1 672 845 65 GLU C C 177.704 0.2 1 673 845 65 GLU CA C 58.475 0.2 1 674 845 65 GLU CB C 29.513 0.2 1 675 845 65 GLU CG C 36.294 0.005 1 676 845 65 GLU N N 118.064 0.2 1 677 846 66 GLY H H 7.526 0.02 1 678 846 66 GLY HA2 H 4.159 0.02 1 679 846 66 GLY HA3 H 3.712 0.02 1 680 846 66 GLY C C 173.953 0.2 1 681 846 66 GLY CA C 44.933 0.002 1 682 846 66 GLY N N 104.733 0.2 1 683 847 67 GLU H H 7.149 0.02 1 684 847 67 GLU HA H 4.265 0.02 1 685 847 67 GLU HB2 H 2.089 0.02 1 686 847 67 GLU HB3 H 2.000 0.02 1 687 847 67 GLU HG2 H 2.203 0.02 1 688 847 67 GLU HG3 H 2.248 0.02 1 689 847 67 GLU C C 176.020 0.2 1 690 847 67 GLU CA C 55.855 0.2 1 691 847 67 GLU CB C 30.362 0.2 1 692 847 67 GLU CG C 37.054 0.001 1 693 847 67 GLU N N 122.156 0.2 1 694 848 68 SER H H 8.372 0.02 1 695 848 68 SER HA H 4.273 0.02 1 696 848 68 SER HB2 H 3.900 0.02 1 697 848 68 SER HB3 H 3.827 0.02 1 698 848 68 SER C C 174.580 0.2 1 699 848 68 SER CA C 59.481 0.2 1 700 848 68 SER CB C 63.622 0.001 1 701 848 68 SER N N 119.659 0.2 1 702 849 69 ASP H H 8.618 0.02 1 703 849 69 ASP HA H 4.688 0.02 1 704 849 69 ASP HB2 H 2.501 0.02 1 705 849 69 ASP HB3 H 2.892 0.02 1 706 849 69 ASP C C 176.141 0.2 1 707 849 69 ASP CA C 53.598 0.2 1 708 849 69 ASP CB C 42.172 0.001 1 709 849 69 ASP N N 123.578 0.2 1 710 850 70 LEU H H 8.597 0.02 1 711 850 70 LEU HA H 4.053 0.02 1 712 850 70 LEU HB2 H 1.699 0.02 1 713 850 70 LEU HB3 H 1.561 0.02 1 714 850 70 LEU HG H 1.628 0.02 1 715 850 70 LEU HD1 H 0.843 0.02 1 716 850 70 LEU HD2 H 0.898 0.02 1 717 850 70 LEU C C 179.344 0.2 1 718 850 70 LEU CA C 57.790 0.2 1 719 850 70 LEU CB C 41.867 0.002 1 720 850 70 LEU CG C 27.097 0.2 1 721 850 70 LEU CD1 C 23.819 0.2 1 722 850 70 LEU CD2 C 24.390 0.2 1 723 850 70 LEU N N 128.442 0.2 1 724 851 71 GLU H H 8.231 0.02 1 725 851 71 GLU HA H 4.084 0.02 1 726 851 71 GLU HB2 H 1.997 0.02 1 727 851 71 GLU HB3 H 2.063 0.02 1 728 851 71 GLU HG2 H 2.252 0.02 1 729 851 71 GLU HG3 H 2.220 0.02 1 730 851 71 GLU C C 180.345 0.2 1 731 851 71 GLU CA C 59.135 0.2 1 732 851 71 GLU CB C 28.774 0.001 1 733 851 71 GLU CG C 36.121 0.2 1 734 851 71 GLU N N 119.060 0.2 1 735 852 72 ASN H H 8.256 0.02 1 736 852 72 ASN HA H 4.498 0.02 1 737 852 72 ASN HB2 H 2.829 0.02 1 738 852 72 ASN HB3 H 2.637 0.02 1 739 852 72 ASN HD21 H 7.966 0.02 1 740 852 72 ASN HD22 H 7.055 0.02 1 741 852 72 ASN C C 178.065 0.2 1 742 852 72 ASN CA C 55.826 0.2 1 743 852 72 ASN CB C 37.975 0.012 1 744 852 72 ASN N N 119.501 0.2 1 745 852 72 ASN ND2 N 113.114 0.004 1 746 853 73 SER H H 8.374 0.02 1 747 853 73 SER HA H 4.023 0.02 1 748 853 73 SER HB2 H 3.928 0.02 1 749 853 73 SER HB3 H 3.928 0.02 1 750 853 73 SER C C 176.039 0.2 1 751 853 73 SER CA C 62.745 0.2 1 752 853 73 SER CB C 62.700 0.2 1 753 853 73 SER N N 114.852 0.2 1 754 854 74 ARG H H 8.045 0.02 1 755 854 74 ARG HA H 3.909 0.02 1 756 854 74 ARG HB2 H 1.928 0.02 1 757 854 74 ARG HB3 H 1.882 0.02 1 758 854 74 ARG HG2 H 1.568 0.02 1 759 854 74 ARG HG3 H 1.796 0.02 1 760 854 74 ARG HD2 H 3.115 0.02 1 761 854 74 ARG HD3 H 3.115 0.02 1 762 854 74 ARG HE H 7.512 0.02 1 763 854 74 ARG C C 179.603 0.2 1 764 854 74 ARG CA C 59.891 0.2 1 765 854 74 ARG CB C 30.035 0.006 1 766 854 74 ARG CG C 27.774 0.005 1 767 854 74 ARG CD C 43.453 0.2 1 768 854 74 ARG N N 119.111 0.2 1 769 854 74 ARG NE N 84.206 0.2 1 770 855 75 LYS H H 7.894 0.02 1 771 855 75 LYS HA H 3.985 0.02 1 772 855 75 LYS HB2 H 1.963 0.02 1 773 855 75 LYS HB3 H 1.927 0.02 1 774 855 75 LYS HG2 H 1.635 0.02 1 775 855 75 LYS HG3 H 1.413 0.02 1 776 855 75 LYS HD2 H 1.686 0.02 1 777 855 75 LYS HD3 H 1.686 0.02 1 778 855 75 LYS HE2 H 2.941 0.02 1 779 855 75 LYS HE3 H 2.941 0.02 1 780 855 75 LYS C C 179.882 0.2 1 781 855 75 LYS CA C 59.995 0.2 1 782 855 75 LYS CB C 32.468 0.2 1 783 855 75 LYS CG C 25.538 0.2 1 784 855 75 LYS CD C 29.566 0.2 1 785 855 75 LYS CE C 42.150 0.2 1 786 855 75 LYS N N 120.927 0.2 1 787 856 76 LEU H H 7.967 0.02 1 788 856 76 LEU HA H 3.957 0.02 1 789 856 76 LEU HB2 H 1.991 0.02 1 790 856 76 LEU HB3 H 1.387 0.02 1 791 856 76 LEU HG H 1.790 0.02 1 792 856 76 LEU HD1 H 0.828 0.02 1 793 856 76 LEU HD2 H 0.958 0.02 1 794 856 76 LEU C C 178.335 0.2 1 795 856 76 LEU CA C 58.149 0.2 1 796 856 76 LEU CB C 42.206 0.025 1 797 856 76 LEU CG C 27.442 0.2 1 798 856 76 LEU CD1 C 25.407 0.2 1 799 856 76 LEU CD2 C 23.060 0.2 1 800 856 76 LEU N N 121.576 0.2 1 801 857 77 LEU H H 8.263 0.02 1 802 857 77 LEU HA H 3.876 0.02 1 803 857 77 LEU HB2 H 1.800 0.02 1 804 857 77 LEU HB3 H 1.385 0.02 1 805 857 77 LEU HG H 1.711 0.02 1 806 857 77 LEU HD1 H 0.802 0.02 1 807 857 77 LEU HD2 H 0.790 0.02 1 808 857 77 LEU C C 180.687 0.2 1 809 857 77 LEU CA C 58.089 0.2 1 810 857 77 LEU CB C 41.082 0.003 1 811 857 77 LEU CG C 26.743 0.2 1 812 857 77 LEU CD2 C 22.898 0.2 1 813 857 77 LEU N N 117.877 0.2 1 814 858 78 SER H H 8.233 0.02 1 815 858 78 SER HA H 4.200 0.02 1 816 858 78 SER HB2 H 3.946 0.02 1 817 858 78 SER HB3 H 3.946 0.02 1 818 858 78 SER C C 176.199 0.2 1 819 858 78 SER CA C 61.524 0.2 1 820 858 78 SER CB C 62.501 0.2 1 821 858 78 SER N N 115.722 0.2 1 822 859 79 ALA H H 7.781 0.02 1 823 859 79 ALA HA H 4.047 0.02 1 824 859 79 ALA HB H 1.457 0.02 1 825 859 79 ALA C C 180.373 0.2 1 826 859 79 ALA CA C 54.849 0.2 1 827 859 79 ALA CB C 17.432 0.2 1 828 859 79 ALA N N 123.630 0.2 1 829 860 80 ALA H H 8.265 0.02 1 830 860 80 ALA HA H 3.844 0.02 1 831 860 80 ALA HB H 1.457 0.02 1 832 860 80 ALA C C 178.535 0.2 1 833 860 80 ALA CA C 55.083 0.2 1 834 860 80 ALA CB C 17.624 0.2 1 835 860 80 ALA N N 119.482 0.2 1 836 861 81 LYS H H 7.703 0.02 1 837 861 81 LYS HA H 3.978 0.02 1 838 861 81 LYS HB2 H 1.892 0.02 1 839 861 81 LYS HB3 H 1.994 0.02 1 840 861 81 LYS HG2 H 1.434 0.02 1 841 861 81 LYS HG3 H 1.343 0.02 1 842 861 81 LYS HD2 H 1.672 0.02 1 843 861 81 LYS HD3 H 1.566 0.02 1 844 861 81 LYS HE2 H 2.898 0.02 1 845 861 81 LYS HE3 H 2.898 0.02 1 846 861 81 LYS C C 178.353 0.2 1 847 861 81 LYS CA C 59.440 0.2 1 848 861 81 LYS CB C 32.271 0.011 1 849 861 81 LYS CG C 24.946 0.005 1 850 861 81 LYS CD C 28.830 0.020 1 851 861 81 LYS CE C 42.179 0.2 1 852 861 81 LYS N N 119.654 0.2 1 853 862 82 ILE H H 7.996 0.02 1 854 862 82 ILE HA H 3.796 0.02 1 855 862 82 ILE HB H 1.860 0.02 1 856 862 82 ILE HG12 H 1.202 0.02 1 857 862 82 ILE HG13 H 1.636 0.02 1 858 862 82 ILE HG2 H 0.912 0.02 1 859 862 82 ILE HD1 H 0.758 0.02 1 860 862 82 ILE C C 179.604 0.2 1 861 862 82 ILE CA C 64.599 0.2 1 862 862 82 ILE CB C 37.798 0.2 1 863 862 82 ILE CG1 C 29.441 0.003 1 864 862 82 ILE CG2 C 17.166 0.2 1 865 862 82 ILE CD1 C 12.866 0.2 1 866 862 82 ILE N N 119.269 0.2 1 867 863 83 LEU H H 7.889 0.02 1 868 863 83 LEU HA H 3.905 0.02 1 869 863 83 LEU HB2 H 1.618 0.02 1 870 863 83 LEU HB3 H 1.405 0.02 1 871 863 83 LEU HG H 1.365 0.02 1 872 863 83 LEU HD1 H 0.699 0.02 1 873 863 83 LEU HD2 H 0.673 0.02 1 874 863 83 LEU C C 178.817 0.2 1 875 863 83 LEU CA C 58.072 0.2 1 876 863 83 LEU CB C 42.334 0.011 1 877 863 83 LEU CG C 27.084 0.2 1 878 863 83 LEU CD1 C 24.680 0.2 1 879 863 83 LEU CD2 C 25.798 0.2 1 880 863 83 LEU N N 120.967 0.2 1 881 864 84 ALA H H 8.510 0.02 1 882 864 84 ALA HA H 3.925 0.02 1 883 864 84 ALA HB H 1.488 0.02 1 884 864 84 ALA C C 181.046 0.2 1 885 864 84 ALA CA C 55.801 0.2 1 886 864 84 ALA CB C 18.026 0.2 1 887 864 84 ALA N N 125.167 0.2 1 888 865 85 ASP H H 8.618 0.02 1 889 865 85 ASP HA H 4.351 0.02 1 890 865 85 ASP HB2 H 2.718 0.02 1 891 865 85 ASP HB3 H 2.570 0.02 1 892 865 85 ASP C C 178.786 0.2 1 893 865 85 ASP CA C 57.340 0.2 1 894 865 85 ASP CB C 40.066 0.2 1 895 865 85 ASP N N 121.049 0.2 1 896 866 86 ALA H H 8.372 0.02 1 897 866 86 ALA HA H 4.074 0.02 1 898 866 86 ALA HB H 1.367 0.02 1 899 866 86 ALA C C 181.722 0.2 1 900 866 86 ALA CA C 54.777 0.2 1 901 866 86 ALA CB C 18.225 0.2 1 902 866 86 ALA N N 122.435 0.2 1 903 867 87 THR H H 8.472 0.02 1 904 867 87 THR HA H 3.719 0.02 1 905 867 87 THR HB H 4.281 0.02 1 906 867 87 THR HG2 H 1.109 0.02 1 907 867 87 THR C C 175.129 0.2 1 908 867 87 THR CB C 67.849 0.053 1 909 867 87 THR CG2 C 21.294 0.2 1 910 867 87 THR N N 118.478 0.2 1 911 868 88 ALA H H 7.960 0.02 1 912 868 88 ALA HA H 4.004 0.02 1 913 868 88 ALA HB H 1.491 0.02 1 914 868 88 ALA C C 180.666 0.2 1 915 868 88 ALA CA C 55.679 0.2 1 916 868 88 ALA CB C 17.454 0.2 1 917 868 88 ALA N N 124.977 0.2 1 918 869 89 LYS H H 7.572 0.02 1 919 869 89 LYS HA H 4.023 0.02 1 920 869 89 LYS HB2 H 1.868 0.02 1 921 869 89 LYS HB3 H 1.840 0.02 1 922 869 89 LYS HG2 H 1.368 0.02 1 923 869 89 LYS HG3 H 1.554 0.02 1 924 869 89 LYS HD2 H 1.698 0.02 1 925 869 89 LYS HD3 H 1.698 0.02 1 926 869 89 LYS HE2 H 2.891 0.02 1 927 869 89 LYS HE3 H 2.891 0.02 1 928 869 89 LYS C C 179.293 0.2 1 929 869 89 LYS CA C 59.243 0.2 1 930 869 89 LYS CB C 32.431 0.2 1 931 869 89 LYS CG C 25.367 0.002 1 932 869 89 LYS CD C 29.039 0.2 1 933 869 89 LYS CE C 42.069 0.2 1 934 869 89 LYS N N 116.892 0.2 1 935 870 90 MET H H 7.721 0.02 1 936 870 90 MET HA H 4.180 0.02 1 937 870 90 MET HB2 H 1.717 0.02 1 938 870 90 MET HB3 H 2.410 0.02 1 939 870 90 MET HG2 H 2.592 0.02 1 940 870 90 MET HG3 H 2.121 0.02 1 941 870 90 MET HE H 1.950 0.02 1 942 870 90 MET C C 176.908 0.2 1 943 870 90 MET CA C 58.123 0.2 1 944 870 90 MET CB C 31.971 0.005 1 945 870 90 MET CG C 32.589 0.2 1 946 870 90 MET CE C 19.410 0.2 1 947 870 90 MET N N 120.625 0.2 1 948 871 91 VAL H H 8.855 0.02 1 949 871 91 VAL HA H 3.373 0.02 1 950 871 91 VAL HB H 2.115 0.02 1 951 871 91 VAL HG1 H 0.845 0.02 1 952 871 91 VAL HG2 H 0.996 0.02 1 953 871 91 VAL C C 178.168 0.2 1 954 871 91 VAL CA C 67.526 0.2 1 955 871 91 VAL CB C 31.693 0.2 1 956 871 91 VAL CG1 C 21.361 0.2 1 957 871 91 VAL CG2 C 22.978 0.2 1 958 871 91 VAL N N 120.765 0.2 1 959 872 92 GLU H H 7.784 0.02 1 960 872 92 GLU HA H 3.953 0.02 1 961 872 92 GLU HB2 H 2.021 0.02 1 962 872 92 GLU HB3 H 2.021 0.02 1 963 872 92 GLU HG2 H 2.263 0.02 1 964 872 92 GLU HG3 H 2.263 0.02 1 965 872 92 GLU C C 179.564 0.2 1 966 872 92 GLU CA C 59.250 0.2 1 967 872 92 GLU CB C 29.445 0.2 1 968 872 92 GLU CG C 35.978 0.2 1 969 872 92 GLU N N 118.007 0.2 1 970 873 93 ALA H H 8.131 0.02 1 971 873 93 ALA HA H 4.105 0.02 1 972 873 93 ALA HB H 1.353 0.02 1 973 873 93 ALA C C 179.947 0.2 1 974 873 93 ALA CA C 54.557 0.2 1 975 873 93 ALA CB C 17.929 0.2 1 976 873 93 ALA N N 122.381 0.2 1 977 874 94 ALA H H 8.863 0.02 1 978 874 94 ALA HA H 3.845 0.02 1 979 874 94 ALA HB H 1.312 0.02 1 980 874 94 ALA C C 178.777 0.2 1 981 874 94 ALA CA C 55.356 0.2 1 982 874 94 ALA CB C 17.764 0.2 1 983 874 94 ALA N N 122.554 0.2 1 984 875 95 LYS H H 7.960 0.02 1 985 875 95 LYS HA H 3.760 0.02 1 986 875 95 LYS HB2 H 1.816 0.02 1 987 875 95 LYS HB3 H 1.816 0.02 1 988 875 95 LYS HG2 H 1.260 0.02 1 989 875 95 LYS HG3 H 1.593 0.02 1 990 875 95 LYS HD2 H 1.579 0.02 1 991 875 95 LYS HD3 H 1.579 0.02 1 992 875 95 LYS HE2 H 2.811 0.02 1 993 875 95 LYS HE3 H 2.729 0.02 1 994 875 95 LYS C C 180.202 0.2 1 995 875 95 LYS CA C 60.072 0.2 1 996 875 95 LYS CB C 32.287 0.2 1 997 875 95 LYS CG C 25.815 0.2 1 998 875 95 LYS CD C 29.765 0.2 1 999 875 95 LYS CE C 41.795 0.003 1 1000 875 95 LYS N N 117.205 0.2 1 1001 876 96 GLY H H 8.001 0.02 1 1002 876 96 GLY HA2 H 3.871 0.02 1 1003 876 96 GLY HA3 H 3.871 0.02 1 1004 876 96 GLY C C 175.807 0.2 1 1005 876 96 GLY CA C 47.306 0.2 1 1006 876 96 GLY N N 107.594 0.2 1 1007 877 97 ALA H H 8.224 0.02 1 1008 877 97 ALA HA H 3.935 0.02 1 1009 877 97 ALA HB H 1.245 0.02 1 1010 877 97 ALA C C 178.554 0.2 1 1011 877 97 ALA CA C 54.341 0.2 1 1012 877 97 ALA CB C 18.282 0.2 1 1013 877 97 ALA N N 123.887 0.2 1 1014 878 98 ALA H H 7.990 0.02 1 1015 878 98 ALA HA H 3.966 0.02 1 1016 878 98 ALA HB H 1.401 0.02 1 1017 878 98 ALA C C 178.992 0.2 1 1018 878 98 ALA CA C 54.076 0.2 1 1019 878 98 ALA CB C 18.702 0.2 1 1020 878 98 ALA N N 118.748 0.2 1 1021 879 99 ALA H H 7.192 0.02 1 1022 879 99 ALA HA H 3.972 0.02 1 1023 879 99 ALA HB H 1.164 0.02 1 1024 879 99 ALA C C 177.609 0.2 1 1025 879 99 ALA CA C 53.145 0.2 1 1026 879 99 ALA CB C 19.082 0.2 1 1027 879 99 ALA N N 116.492 0.2 1 1028 880 100 HIS H H 7.272 0.02 1 1029 880 100 HIS HA H 5.059 0.02 1 1030 880 100 HIS HB2 H 3.088 0.02 1 1031 880 100 HIS HB3 H 3.021 0.02 1 1032 880 100 HIS HD2 H 7.272 0.02 1 1033 880 100 HIS CA C 52.631 0.2 1 1034 880 100 HIS CB C 29.271 0.002 1 1035 880 100 HIS CD2 C 121.715 0.2 1 1036 880 100 HIS N N 113.441 0.2 1 1037 881 101 PRO HA H 4.456 0.02 1 1038 881 101 PRO HB2 H 1.914 0.02 1 1039 881 101 PRO HB3 H 2.274 0.02 1 1040 881 101 PRO HG2 H 1.860 0.02 1 1041 881 101 PRO HG3 H 1.983 0.02 1 1042 881 101 PRO HD2 H 3.539 0.02 1 1043 881 101 PRO HD3 H 3.298 0.02 1 1044 881 101 PRO C C 176.820 0.2 1 1045 881 101 PRO CA C 64.850 0.2 1 1046 881 101 PRO CB C 31.918 0.001 1 1047 881 101 PRO CG C 27.080 0.003 1 1048 881 101 PRO CD C 50.158 0.012 1 1049 882 102 ASP H H 8.522 0.02 1 1050 882 102 ASP HA H 4.526 0.02 1 1051 882 102 ASP HB2 H 2.668 0.02 1 1052 882 102 ASP HB3 H 2.668 0.02 1 1053 882 102 ASP C C 175.923 0.2 1 1054 882 102 ASP CA C 53.358 0.2 1 1055 882 102 ASP CB C 40.357 0.2 1 1056 882 102 ASP N N 115.261 0.2 1 1057 883 103 SER H H 7.401 0.02 1 1058 883 103 SER HA H 4.568 0.02 1 1059 883 103 SER HB2 H 3.867 0.02 1 1060 883 103 SER HB3 H 4.004 0.02 1 1061 883 103 SER C C 175.904 0.2 1 1062 883 103 SER CA C 56.399 0.2 1 1063 883 103 SER CB C 62.948 0.002 1 1064 883 103 SER N N 113.492 0.2 1 1065 884 104 GLU H H 9.241 0.02 1 1066 884 104 GLU HA H 3.963 0.02 1 1067 884 104 GLU HB2 H 2.019 0.02 1 1068 884 104 GLU HB3 H 1.975 0.02 1 1069 884 104 GLU HG2 H 2.303 0.02 1 1070 884 104 GLU HG3 H 2.246 0.02 1 1071 884 104 GLU C C 178.868 0.2 1 1072 884 104 GLU CA C 59.546 0.2 1 1073 884 104 GLU CB C 29.136 0.009 1 1074 884 104 GLU CG C 36.200 0.2 1 1075 884 104 GLU N N 133.350 0.2 1 1076 885 105 GLU H H 8.503 0.02 1 1077 885 105 GLU HA H 4.004 0.02 1 1078 885 105 GLU HB2 H 1.783 0.02 1 1079 885 105 GLU HB3 H 1.959 0.02 1 1080 885 105 GLU HG2 H 2.103 0.02 1 1081 885 105 GLU HG3 H 2.201 0.02 1 1082 885 105 GLU C C 179.363 0.2 1 1083 885 105 GLU CA C 59.627 0.2 1 1084 885 105 GLU CB C 29.315 0.011 1 1085 885 105 GLU CG C 36.221 0.001 1 1086 885 105 GLU N N 120.233 0.2 1 1087 886 106 GLN H H 7.870 0.02 1 1088 886 106 GLN HA H 3.992 0.02 1 1089 886 106 GLN HB2 H 2.026 0.02 1 1090 886 106 GLN HB3 H 2.176 0.02 1 1091 886 106 GLN HG2 H 2.409 0.02 1 1092 886 106 GLN HG3 H 2.318 0.02 1 1093 886 106 GLN HE21 H 7.286 0.02 1 1094 886 106 GLN HE22 H 6.860 0.02 1 1095 886 106 GLN C C 179.371 0.2 1 1096 886 106 GLN CA C 57.970 0.2 1 1097 886 106 GLN CB C 27.367 0.003 1 1098 886 106 GLN CG C 33.091 0.007 1 1099 886 106 GLN N N 117.453 0.2 1 1100 886 106 GLN NE2 N 111.546 0.2 1 1101 887 107 GLN H H 7.817 0.02 1 1102 887 107 GLN HA H 3.870 0.02 1 1103 887 107 GLN HB2 H 2.160 0.02 1 1104 887 107 GLN HB3 H 2.191 0.02 1 1105 887 107 GLN HG2 H 2.597 0.02 1 1106 887 107 GLN HG3 H 2.418 0.02 1 1107 887 107 GLN HE21 H 7.336 0.02 1 1108 887 107 GLN HE22 H 6.739 0.02 1 1109 887 107 GLN C C 178.581 0.2 1 1110 887 107 GLN CA C 59.324 0.2 1 1111 887 107 GLN CB C 27.682 0.001 1 1112 887 107 GLN CG C 33.532 0.016 1 1113 887 107 GLN N N 119.601 0.2 1 1114 887 107 GLN NE2 N 111.420 0.2 1 1115 888 108 GLN H H 8.300 0.02 1 1116 888 108 GLN HA H 3.971 0.02 1 1117 888 108 GLN HB2 H 2.177 0.02 1 1118 888 108 GLN HB3 H 2.084 0.02 1 1119 888 108 GLN HG2 H 2.369 0.02 1 1120 888 108 GLN HG3 H 2.369 0.02 1 1121 888 108 GLN HE21 H 7.728 0.02 1 1122 888 108 GLN HE22 H 6.770 0.02 1 1123 888 108 GLN C C 178.427 0.2 1 1124 888 108 GLN CA C 58.915 0.2 1 1125 888 108 GLN CB C 27.317 0.002 1 1126 888 108 GLN CG C 32.967 0.2 1 1127 888 108 GLN N N 120.481 0.2 1 1128 888 108 GLN NE2 N 112.221 0.003 1 1129 889 109 ARG H H 8.023 0.02 1 1130 889 109 ARG HA H 4.046 0.02 1 1131 889 109 ARG HB2 H 1.845 0.02 1 1132 889 109 ARG HB3 H 1.954 0.02 1 1133 889 109 ARG HG2 H 1.645 0.02 1 1134 889 109 ARG HG3 H 1.782 0.02 1 1135 889 109 ARG HD2 H 3.140 0.02 1 1136 889 109 ARG HD3 H 3.140 0.02 1 1137 889 109 ARG HE H 7.394 0.02 1 1138 889 109 ARG C C 179.588 0.2 1 1139 889 109 ARG CA C 59.172 0.2 1 1140 889 109 ARG CB C 30.282 0.001 1 1141 889 109 ARG CG C 27.271 0.022 1 1142 889 109 ARG CD C 43.629 0.2 1 1143 889 109 ARG N N 119.153 0.2 1 1144 889 109 ARG NE N 84.536 0.2 1 1145 890 110 LEU H H 7.835 0.02 1 1146 890 110 LEU HA H 3.981 0.02 1 1147 890 110 LEU HB2 H 1.312 0.02 1 1148 890 110 LEU HB3 H 2.096 0.02 1 1149 890 110 LEU HG H 1.425 0.02 1 1150 890 110 LEU HD1 H 0.693 0.02 1 1151 890 110 LEU HD2 H 0.518 0.02 1 1152 890 110 LEU C C 177.867 0.2 1 1153 890 110 LEU CA C 58.201 0.2 1 1154 890 110 LEU CB C 41.860 0.002 1 1155 890 110 LEU CG C 26.526 0.2 1 1156 890 110 LEU CD1 C 23.772 0.2 1 1157 890 110 LEU CD2 C 26.257 0.2 1 1158 890 110 LEU N N 121.408 0.2 1 1159 891 111 ARG H H 8.073 0.02 1 1160 891 111 ARG HA H 3.979 0.02 1 1161 891 111 ARG HB2 H 1.912 0.02 1 1162 891 111 ARG HB3 H 2.013 0.02 1 1163 891 111 ARG HG2 H 1.532 0.02 1 1164 891 111 ARG HG3 H 1.799 0.02 1 1165 891 111 ARG HD2 H 3.169 0.02 1 1166 891 111 ARG HD3 H 3.078 0.02 1 1167 891 111 ARG HE H 7.230 0.02 1 1168 891 111 ARG C C 179.402 0.2 1 1169 891 111 ARG CA C 60.588 0.2 1 1170 891 111 ARG CB C 29.953 0.007 1 1171 891 111 ARG CG C 28.269 0.2 1 1172 891 111 ARG CD C 43.314 0.2 1 1173 891 111 ARG N N 119.465 0.2 1 1174 891 111 ARG NE N 83.613 0.2 1 1175 892 112 GLU H H 8.445 0.02 1 1176 892 112 GLU HA H 4.017 0.02 1 1177 892 112 GLU HB2 H 1.993 0.02 1 1178 892 112 GLU HB3 H 2.070 0.02 1 1179 892 112 GLU HG2 H 2.442 0.02 1 1180 892 112 GLU HG3 H 2.197 0.02 1 1181 892 112 GLU C C 179.947 0.2 1 1182 892 112 GLU CA C 59.251 0.2 1 1183 892 112 GLU CB C 29.610 0.003 1 1184 892 112 GLU CG C 36.523 0.006 1 1185 892 112 GLU N N 119.272 0.2 1 1186 893 113 ALA H H 8.429 0.02 1 1187 893 113 ALA HA H 4.149 0.02 1 1188 893 113 ALA HB H 1.408 0.02 1 1189 893 113 ALA C C 180.957 0.2 1 1190 893 113 ALA CA C 54.456 0.2 1 1191 893 113 ALA CB C 17.932 0.2 1 1192 893 113 ALA N N 122.842 0.2 1 1193 894 114 ALA H H 8.615 0.02 1 1194 894 114 ALA HA H 4.164 0.02 1 1195 894 114 ALA HB H 1.542 0.02 1 1196 894 114 ALA C C 179.317 0.2 1 1197 894 114 ALA CA C 55.679 0.2 1 1198 894 114 ALA CB C 18.395 0.2 1 1199 894 114 ALA N N 124.219 0.2 1 1200 895 115 GLU H H 8.052 0.02 1 1201 895 115 GLU HA H 4.140 0.02 1 1202 895 115 GLU HB2 H 2.144 0.02 1 1203 895 115 GLU HB3 H 2.061 0.02 1 1204 895 115 GLU HG2 H 2.289 0.02 1 1205 895 115 GLU HG3 H 2.289 0.02 1 1206 895 115 GLU C C 179.640 0.2 1 1207 895 115 GLU CA C 59.314 0.2 1 1208 895 115 GLU CB C 29.001 0.002 1 1209 895 115 GLU CG C 35.737 0.2 1 1210 895 115 GLU N N 119.950 0.2 1 1211 896 116 GLY H H 8.114 0.02 1 1212 896 116 GLY HA2 H 3.869 0.02 1 1213 896 116 GLY HA3 H 3.932 0.02 1 1214 896 116 GLY C C 176.747 0.2 1 1215 896 116 GLY CA C 47.101 0.002 1 1216 896 116 GLY N N 106.398 0.2 1 1217 897 117 LEU H H 8.085 0.02 1 1218 897 117 LEU HA H 4.114 0.02 1 1219 897 117 LEU HB2 H 1.308 0.02 1 1220 897 117 LEU HB3 H 1.993 0.02 1 1221 897 117 LEU HG H 1.387 0.02 1 1222 897 117 LEU HD1 H 0.862 0.02 1 1223 897 117 LEU HD2 H 0.817 0.02 1 1224 897 117 LEU C C 179.143 0.2 1 1225 897 117 LEU CA C 57.690 0.2 1 1226 897 117 LEU CB C 42.154 0.2 1 1227 897 117 LEU CG C 27.510 0.2 1 1228 897 117 LEU CD1 C 27.460 0.2 1 1229 897 117 LEU CD2 C 24.973 0.2 1 1230 897 117 LEU N N 124.201 0.2 1 1231 898 118 ARG H H 8.682 0.02 1 1232 898 118 ARG HA H 3.777 0.02 1 1233 898 118 ARG HB2 H 1.896 0.02 1 1234 898 118 ARG HB3 H 1.936 0.02 1 1235 898 118 ARG HG2 H 1.457 0.02 1 1236 898 118 ARG HG3 H 1.734 0.02 1 1237 898 118 ARG HD2 H 3.123 0.02 1 1238 898 118 ARG HD3 H 3.123 0.02 1 1239 898 118 ARG C C 178.768 0.2 1 1240 898 118 ARG CA C 60.605 0.2 1 1241 898 118 ARG CB C 29.669 0.012 1 1242 898 118 ARG CG C 28.032 0.001 1 1243 898 118 ARG CD C 43.433 0.2 1 1244 898 118 ARG N N 123.668 0.2 1 1245 899 119 MET H H 8.055 0.02 1 1246 899 119 MET HA H 4.161 0.02 1 1247 899 119 MET HB2 H 2.097 0.02 1 1248 899 119 MET HB3 H 2.167 0.02 1 1249 899 119 MET HG2 H 2.726 0.02 1 1250 899 119 MET HG3 H 2.563 0.02 1 1251 899 119 MET HE H 2.033 0.02 1 1252 899 119 MET C C 179.193 0.2 1 1253 899 119 MET CA C 58.757 0.2 1 1254 899 119 MET CB C 32.219 0.008 1 1255 899 119 MET CG C 32.141 0.2 1 1256 899 119 MET N N 117.489 0.2 1 1257 900 120 ALA H H 8.055 0.02 1 1258 900 120 ALA HA H 4.064 0.02 1 1259 900 120 ALA HB H 1.392 0.02 1 1260 900 120 ALA C C 179.919 0.2 1 1261 900 120 ALA CA C 54.792 0.2 1 1262 900 120 ALA CB C 19.362 0.2 1 1263 900 120 ALA N N 122.180 0.2 1 1264 901 121 THR H H 8.437 0.02 1 1265 901 121 THR HA H 3.698 0.02 1 1266 901 121 THR HB H 4.120 0.02 1 1267 901 121 THR HG2 H 1.086 0.02 1 1268 901 121 THR C C 176.040 0.2 1 1269 901 121 THR CA C 67.223 0.2 1 1270 901 121 THR CB C 68.109 0.2 1 1271 901 121 THR CG2 C 22.258 0.2 1 1272 901 121 THR N N 115.352 0.2 1 1273 902 122 ASN H H 7.960 0.02 1 1274 902 122 ASN HA H 4.430 0.02 1 1275 902 122 ASN HB2 H 2.801 0.02 1 1276 902 122 ASN HB3 H 2.709 0.02 1 1277 902 122 ASN HD21 H 7.412 0.02 1 1278 902 122 ASN HD22 H 6.715 0.02 1 1279 902 122 ASN C C 177.517 0.2 1 1280 902 122 ASN CA C 56.149 0.2 1 1281 902 122 ASN CB C 38.322 0.2 1 1282 902 122 ASN N N 120.215 0.2 1 1283 902 122 ASN ND2 N 111.322 0.001 1 1284 903 123 ALA H H 7.901 0.02 1 1285 903 123 ALA HA H 4.078 0.02 1 1286 903 123 ALA HB H 1.420 0.02 1 1287 903 123 ALA C C 179.875 0.2 1 1288 903 123 ALA CA C 54.778 0.2 1 1289 903 123 ALA CB C 18.177 0.2 1 1290 903 123 ALA N N 120.833 0.2 1 1291 904 124 ALA H H 7.724 0.02 1 1292 904 124 ALA HA H 3.927 0.02 1 1293 904 124 ALA HB H 1.302 0.02 1 1294 904 124 ALA C C 178.420 0.2 1 1295 904 124 ALA CA C 54.664 0.2 1 1296 904 124 ALA CB C 17.576 0.2 1 1297 904 124 ALA N N 120.037 0.2 1 1298 905 125 ALA H H 7.821 0.02 1 1299 905 125 ALA HA H 4.171 0.02 1 1300 905 125 ALA HB H 1.512 0.02 1 1301 905 125 ALA C C 179.565 0.2 1 1302 905 125 ALA CA C 54.178 0.2 1 1303 905 125 ALA CB C 18.722 0.2 1 1304 905 125 ALA N N 118.119 0.2 1 1305 906 126 GLN H H 7.826 0.02 1 1306 906 126 GLN HA H 4.110 0.02 1 1307 906 126 GLN HB2 H 2.103 0.02 1 1308 906 126 GLN HB3 H 2.032 0.02 1 1309 906 126 GLN HG2 H 2.405 0.02 1 1310 906 126 GLN HG3 H 2.405 0.02 1 1311 906 126 GLN HE21 H 7.391 0.02 1 1312 906 126 GLN HE22 H 6.758 0.02 1 1313 906 126 GLN C C 176.870 0.2 1 1314 906 126 GLN CA C 56.956 0.2 1 1315 906 126 GLN CB C 28.592 0.003 1 1316 906 126 GLN CG C 33.803 0.2 1 1317 906 126 GLN N N 115.768 0.2 1 1318 906 126 GLN NE2 N 112.121 0.012 1 1319 907 127 ASN H H 7.827 0.02 1 1320 907 127 ASN HA H 4.602 0.02 1 1321 907 127 ASN HB2 H 2.717 0.02 1 1322 907 127 ASN HB3 H 2.717 0.02 1 1323 907 127 ASN HD21 H 7.415 0.02 1 1324 907 127 ASN HD22 H 6.875 0.02 1 1325 907 127 ASN C C 174.485 0.2 1 1326 907 127 ASN CA C 54.078 0.2 1 1327 907 127 ASN CB C 39.481 0.2 1 1328 907 127 ASN N N 116.824 0.2 1 1329 907 127 ASN ND2 N 112.406 0.2 1 1330 908 128 ALA H H 7.785 0.02 1 1331 908 128 ALA HA H 4.260 0.02 1 1332 908 128 ALA HB H 1.280 0.02 1 1333 908 128 ALA C C 176.894 0.2 1 1334 908 128 ALA CA C 52.484 0.2 1 1335 908 128 ALA CB C 19.769 0.2 1 1336 908 128 ALA N N 121.698 0.2 1 1337 909 129 ILE H H 7.736 0.02 1 1338 909 129 ILE HA H 4.030 0.02 1 1339 909 129 ILE HB H 1.795 0.02 1 1340 909 129 ILE HG12 H 1.107 0.02 1 1341 909 129 ILE HG13 H 1.407 0.02 1 1342 909 129 ILE HG2 H 0.799 0.02 1 1343 909 129 ILE HD1 H 0.753 0.02 1 1344 909 129 ILE C C 175.903 0.2 1 1345 909 129 ILE CA C 61.021 0.2 1 1346 909 129 ILE CB C 38.482 0.2 1 1347 909 129 ILE CG1 C 27.259 0.002 1 1348 909 129 ILE CG2 C 17.641 0.2 1 1349 909 129 ILE CD1 C 12.878 0.2 1 1350 909 129 ILE N N 118.813 0.2 1 1351 910 130 LYS H H 8.374 0.02 1 1352 910 130 LYS HA H 4.255 0.02 1 1353 910 130 LYS HB2 H 1.754 0.02 1 1354 910 130 LYS HB3 H 1.664 0.02 1 1355 910 130 LYS HG2 H 1.370 0.02 1 1356 910 130 LYS HG3 H 1.320 0.02 1 1357 910 130 LYS HD2 H 1.585 0.02 1 1358 910 130 LYS HD3 H 1.585 0.02 1 1359 910 130 LYS HE2 H 2.907 0.02 1 1360 910 130 LYS HE3 H 2.907 0.02 1 1361 910 130 LYS C C 175.298 0.2 1 1362 910 130 LYS CA C 56.237 0.2 1 1363 910 130 LYS CB C 32.889 0.2 1 1364 910 130 LYS CG C 24.663 0.001 1 1365 910 130 LYS CD C 29.086 0.2 1 1366 910 130 LYS CE C 42.134 0.2 1 1367 910 130 LYS N N 126.631 0.2 1 1368 911 131 LYS H H 7.972 0.02 1 1369 911 131 LYS HA H 4.070 0.02 1 1370 911 131 LYS HB2 H 1.724 0.02 1 1371 911 131 LYS HB3 H 1.612 0.02 1 1372 911 131 LYS HG2 H 1.301 0.02 1 1373 911 131 LYS HG3 H 1.301 0.02 1 1374 911 131 LYS HD2 H 1.593 0.02 1 1375 911 131 LYS HD3 H 1.593 0.02 1 1376 911 131 LYS HE2 H 2.905 0.02 1 1377 911 131 LYS HE3 H 2.905 0.02 1 1378 911 131 LYS CA C 57.623 0.2 1 1379 911 131 LYS CB C 33.709 0.001 1 1380 911 131 LYS CG C 24.752 0.2 1 1381 911 131 LYS CD C 29.088 0.2 1 1382 911 131 LYS CE C 42.069 0.2 1 1383 911 131 LYS N N 128.927 0.2 1 stop_ save_