data_26558 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical shift assignments of the fibronectin III like domains 7-8 of type VII collagen ; _BMRB_accession_number 26558 _BMRB_flat_file_name bmr26558.str _Entry_type original _Submission_date 2015-04-14 _Accession_date 2015-04-14 _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 Hermsdorf Ulrike . . 2 Seeger Karsten . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 852 "13C chemical shifts" 682 "15N chemical shifts" 170 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-12 update BMRB 'update entry citation' 2016-01-06 original author 'original release' stop_ _Original_release_date 2016-01-06 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Chemical shift assignments of the fibronectin III like domains 7-8 of type VII collagen ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26364055 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hermsdorf Ulrike . . 2 Seeger Karsten . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 10 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 53 _Page_last 55 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name FNIII7-8 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Col7 subdomains FNIII7-8' $Col7_domains_FNIII7-8 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_Col7_domains_FNIII7-8 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Col7_domains_FNIII7-8 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 186 _Mol_residue_sequence ; MTAPEPVGSVSKLQILNASS DVLRVTWVGVPGATSYKLAW GRSEGGPMKHRILPGNKESA EIRDLEGGVSYSVRVTALVG DREGAPVSIVITTPPATPAL LETLQVVQSGEHSLRLRWEP VPGAPGFRLHWQPEGGQEQS LTLGPESNSYNLVGLEPATK YQVWLTVLGQTGEGPPRKVT AYTEPS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . MET 2 772 THR 3 773 ALA 4 774 PRO 5 775 GLU 6 776 PRO 7 777 VAL 8 778 GLY 9 779 SER 10 780 VAL 11 781 SER 12 782 LYS 13 783 LEU 14 784 GLN 15 785 ILE 16 786 LEU 17 787 ASN 18 788 ALA 19 789 SER 20 790 SER 21 791 ASP 22 792 VAL 23 793 LEU 24 794 ARG 25 795 VAL 26 796 THR 27 797 TRP 28 798 VAL 29 799 GLY 30 800 VAL 31 801 PRO 32 802 GLY 33 803 ALA 34 804 THR 35 805 SER 36 806 TYR 37 807 LYS 38 808 LEU 39 809 ALA 40 810 TRP 41 811 GLY 42 812 ARG 43 813 SER 44 814 GLU 45 815 GLY 46 816 GLY 47 817 PRO 48 818 MET 49 819 LYS 50 820 HIS 51 821 ARG 52 822 ILE 53 823 LEU 54 824 PRO 55 825 GLY 56 826 ASN 57 827 LYS 58 828 GLU 59 829 SER 60 830 ALA 61 831 GLU 62 832 ILE 63 833 ARG 64 834 ASP 65 835 LEU 66 836 GLU 67 837 GLY 68 838 GLY 69 839 VAL 70 840 SER 71 841 TYR 72 842 SER 73 843 VAL 74 844 ARG 75 845 VAL 76 846 THR 77 847 ALA 78 848 LEU 79 849 VAL 80 850 GLY 81 851 ASP 82 852 ARG 83 853 GLU 84 854 GLY 85 855 ALA 86 856 PRO 87 857 VAL 88 858 SER 89 859 ILE 90 860 VAL 91 861 ILE 92 862 THR 93 863 THR 94 864 PRO 95 865 PRO 96 866 ALA 97 867 THR 98 868 PRO 99 869 ALA 100 870 LEU 101 871 LEU 102 872 GLU 103 873 THR 104 874 LEU 105 875 GLN 106 876 VAL 107 877 VAL 108 878 GLN 109 879 SER 110 880 GLY 111 881 GLU 112 882 HIS 113 883 SER 114 884 LEU 115 885 ARG 116 886 LEU 117 887 ARG 118 888 TRP 119 889 GLU 120 890 PRO 121 891 VAL 122 892 PRO 123 893 GLY 124 894 ALA 125 895 PRO 126 896 GLY 127 897 PHE 128 898 ARG 129 899 LEU 130 900 HIS 131 901 TRP 132 902 GLN 133 903 PRO 134 904 GLU 135 905 GLY 136 906 GLY 137 907 GLN 138 908 GLU 139 909 GLN 140 910 SER 141 911 LEU 142 912 THR 143 913 LEU 144 914 GLY 145 915 PRO 146 916 GLU 147 917 SER 148 918 ASN 149 919 SER 150 920 TYR 151 921 ASN 152 922 LEU 153 923 VAL 154 924 GLY 155 925 LEU 156 926 GLU 157 927 PRO 158 928 ALA 159 929 THR 160 930 LYS 161 931 TYR 162 932 GLN 163 933 VAL 164 934 TRP 165 935 LEU 166 936 THR 167 937 VAL 168 938 LEU 169 939 GLY 170 940 GLN 171 941 THR 172 942 GLY 173 943 GLU 174 944 GLY 175 945 PRO 176 946 PRO 177 947 ARG 178 948 LYS 179 949 VAL 180 950 THR 181 951 ALA 182 952 TYR 183 953 THR 184 954 GLU 185 955 PRO 186 956 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UniProt Q63870 Col7A1 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Col7_domains_FNIII7-8 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 _Vector_name $Col7_domains_FNIII7-8 'recombinant technology' . Escherichia coli . pTWIN1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Col7_domains_FNIII7-8 0.76 mM [U-15N] 'sodium phosphate' 10 mM 'natural abundance' TSP 0.1 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Col7_domains_FNIII7-8 0.7 mM '[U-13C; U-15N]' 'sodium phosphate' 10 mM 'natural abundance' TSP 0.1 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Col7_domains_FNIII7-8 0.7 mM '[U-13C; U-15N]' 'sodium phosphate' 10 mM 'natural abundance' TSP 0.1 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details ; Selective unlabelled protein samples have been prepared to aid resonance assignment. L-Arg, L-Pro, and L-Lys have been unlabelled by adding the 14N/12C amino acids to the medium. For Leu, Ile, Val/Ile, Phe and Tyr the direct precursor (isotopes at natural abundance) have been employed. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Col7_domains_FNIII7-8 0.1-0.7 mM '[U-13C; U-15N]' 'sodium phosphate' 10 mM 'natural abundance' TSP 0.1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500_MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 24 . mM pH 7.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'Referencing was done using TSP-d4.' 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_ _Software_label $Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D HCCH-COSY' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Col7 subdomains FNIII7-8' _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 1 772 2 THR HA H 3.466 0.003 1 2 772 2 THR HB H 3.995 0.002 1 3 772 2 THR HG2 H 1.251 0.001 1 4 772 2 THR CA C 62.132 0.01 1 5 772 2 THR CB C 70.769 0.003 1 6 772 2 THR CG2 C 21.396 0.03 1 7 773 3 ALA HA H 4.641 0.01 1 8 773 3 ALA HB H 1.391 0.001 1 9 773 3 ALA CA C 50.400 0.038 1 10 773 3 ALA CB C 18.007 0.006 1 11 774 4 PRO HA H 4.442 0.01 1 12 774 4 PRO HB2 H 1.853 0.013 2 13 774 4 PRO HB3 H 2.246 0.007 2 14 774 4 PRO HG2 H 2.010 0.008 2 15 774 4 PRO HG3 H 2.009 0.008 2 16 774 4 PRO HD2 H 3.656 0.004 2 17 774 4 PRO HD3 H 3.819 0.002 2 18 774 4 PRO C C 176.710 0.0 1 19 774 4 PRO CA C 62.581 0.078 1 20 774 4 PRO CB C 31.814 0.0 1 21 774 4 PRO CG C 27.259 0.029 1 22 774 4 PRO CD C 50.310 0.0 1 23 775 5 GLU H H 8.561 0.008 1 24 775 5 GLU HA H 4.513 0.018 1 25 775 5 GLU HB2 H 1.894 0.001 2 26 775 5 GLU HB3 H 2.051 0.009 2 27 775 5 GLU HG2 H 2.355 0.005 2 28 775 5 GLU HG3 H 2.355 0.005 2 29 775 5 GLU C C 174.778 0.0 1 30 775 5 GLU CA C 54.523 0.03 1 31 775 5 GLU CB C 29.461 0.002 1 32 775 5 GLU CG C 36.234 0.004 1 33 775 5 GLU N N 123.143 0.034 1 34 777 7 VAL HA H 3.770 0.008 1 35 777 7 VAL HB H 1.603 0.004 1 36 777 7 VAL HG1 H 0.865 0.002 2 37 777 7 VAL HG2 H 1.016 0.01 2 38 777 7 VAL C C 176.761 0.0 1 39 777 7 VAL CA C 63.346 0.033 1 40 777 7 VAL CB C 32.328 0.095 1 41 777 7 VAL CG1 C 21.829 0.059 2 42 777 7 VAL CG2 C 21.222 0.08 2 43 778 8 GLY H H 8.314 0.006 1 44 778 8 GLY HA2 H 3.893 0.0 2 45 778 8 GLY HA3 H 4.223 0.007 2 46 778 8 GLY C C 172.307 0.057 1 47 778 8 GLY CA C 44.751 0.088 1 48 778 8 GLY N N 112.375 0.032 1 49 779 9 SER H H 8.384 0.009 1 50 779 9 SER HA H 4.865 0.01 1 51 779 9 SER HB2 H 3.652 0.027 2 52 779 9 SER HB3 H 3.997 0.0 2 53 779 9 SER C C 173.884 0.08 1 54 779 9 SER CA C 57.104 0.032 1 55 779 9 SER CB C 65.678 0.088 1 56 779 9 SER N N 112.885 0.045 1 57 780 10 VAL H H 8.687 0.009 1 58 780 10 VAL HA H 4.279 0.012 1 59 780 10 VAL HB H 2.504 0.009 1 60 780 10 VAL HG1 H 0.798 0.005 2 61 780 10 VAL HG2 H 0.500 0.004 2 62 780 10 VAL C C 174.115 0.021 1 63 780 10 VAL CA C 62.079 0.051 1 64 780 10 VAL CB C 31.772 0.096 1 65 780 10 VAL CG1 C 23.771 0.072 2 66 780 10 VAL CG2 C 17.603 0.046 2 67 780 10 VAL N N 117.501 0.092 1 68 781 11 SER H H 8.403 0.01 1 69 781 11 SER HA H 4.823 0.011 1 70 781 11 SER HB2 H 3.936 0.029 2 71 781 11 SER HB3 H 3.850 0.005 2 72 781 11 SER C C 172.532 0.033 1 73 781 11 SER CA C 56.663 0.02 1 74 781 11 SER CB C 65.938 0.034 1 75 781 11 SER N N 112.824 0.069 1 76 782 12 LYS H H 8.761 0.007 1 77 782 12 LYS HA H 3.798 0.009 1 78 782 12 LYS HB2 H 1.791 0.033 2 79 782 12 LYS HB3 H 1.890 0.018 2 80 782 12 LYS HG2 H 1.409 0.01 2 81 782 12 LYS HG3 H 1.380 0.021 2 82 782 12 LYS HD2 H 1.806 0.003 2 83 782 12 LYS HD3 H 1.654 0.006 2 84 782 12 LYS HE2 H 2.966 0.004 2 85 782 12 LYS HE3 H 2.965 0.004 2 86 782 12 LYS C C 174.890 0.014 1 87 782 12 LYS CA C 56.426 0.082 1 88 782 12 LYS CB C 31.031 0.046 1 89 782 12 LYS CG C 25.370 0.06 1 90 782 12 LYS CD C 29.164 0.016 1 91 782 12 LYS CE C 41.970 0.044 1 92 782 12 LYS N N 117.038 0.051 1 93 783 13 LEU H H 7.880 0.008 1 94 783 13 LEU HA H 5.102 0.015 1 95 783 13 LEU HB2 H 1.015 0.02 2 96 783 13 LEU HB3 H 1.779 0.04 2 97 783 13 LEU HD1 H 0.925 0.003 2 98 783 13 LEU HD2 H 0.702 0.006 2 99 783 13 LEU C C 176.805 0.022 1 100 783 13 LEU CA C 55.495 0.046 1 101 783 13 LEU CB C 42.148 0.057 1 102 783 13 LEU CD1 C 24.339 0.0 2 103 783 13 LEU CD2 C 27.295 0.009 2 104 783 13 LEU N N 120.683 0.067 1 105 784 14 GLN H H 9.296 0.008 1 106 784 14 GLN HA H 4.763 0.008 1 107 784 14 GLN HB2 H 1.911 0.007 2 108 784 14 GLN HB3 H 2.081 0.014 2 109 784 14 GLN HG2 H 2.340 0.006 2 110 784 14 GLN HG3 H 2.340 0.006 2 111 784 14 GLN HE21 H 6.807 0.0 1 112 784 14 GLN HE22 H 7.527 0.003 1 113 784 14 GLN C C 173.733 0.011 1 114 784 14 GLN CA C 54.557 0.004 1 115 784 14 GLN CB C 33.216 0.04 1 116 784 14 GLN CG C 33.571 0.0 1 117 784 14 GLN N N 125.656 0.09 1 118 784 14 GLN NE2 N 111.477 0.025 1 119 785 15 ILE H H 8.570 0.009 1 120 785 15 ILE HA H 4.593 0.014 1 121 785 15 ILE HB H 1.965 0.008 1 122 785 15 ILE HG12 H 1.404 0.03 2 123 785 15 ILE HG13 H 1.431 0.039 2 124 785 15 ILE HG2 H 0.858 0.006 1 125 785 15 ILE HD1 H 0.817 0.007 1 126 785 15 ILE C C 175.765 0.016 1 127 785 15 ILE CA C 59.078 0.045 1 128 785 15 ILE CB C 37.736 0.083 1 129 785 15 ILE CG1 C 27.154 0.033 1 130 785 15 ILE CG2 C 18.287 0.003 1 131 785 15 ILE CD1 C 12.902 0.051 1 132 785 15 ILE N N 120.168 0.022 1 133 786 16 LEU H H 8.958 0.007 1 134 786 16 LEU HA H 4.441 0.008 1 135 786 16 LEU HB2 H 1.480 0.007 2 136 786 16 LEU HB3 H 1.473 0.016 2 137 786 16 LEU HG H 1.491 0.003 1 138 786 16 LEU HD1 H 0.801 0.003 2 139 786 16 LEU HD2 H 0.858 0.003 2 140 786 16 LEU C C 176.611 0.018 1 141 786 16 LEU CA C 55.516 0.026 1 142 786 16 LEU CB C 43.585 0.016 1 143 786 16 LEU CG C 26.860 0.0 1 144 786 16 LEU CD1 C 24.000 0.0 2 145 786 16 LEU CD2 C 23.975 0.035 2 146 786 16 LEU N N 129.138 0.024 1 147 787 17 ASN H H 7.857 0.008 1 148 787 17 ASN HA H 4.723 0.009 1 149 787 17 ASN HB2 H 2.731 0.019 2 150 787 17 ASN HB3 H 2.680 0.017 2 151 787 17 ASN HD21 H 6.832 0.0 1 152 787 17 ASN HD22 H 7.602 0.0 1 153 787 17 ASN C C 172.622 0.025 1 154 787 17 ASN CA C 53.309 0.058 1 155 787 17 ASN CB C 40.956 0.043 1 156 787 17 ASN N N 114.480 0.049 1 157 787 17 ASN ND2 N 112.565 0.011 1 158 788 18 ALA H H 8.499 0.012 1 159 788 18 ALA HA H 4.865 0.032 1 160 788 18 ALA HB H 1.311 0.019 1 161 788 18 ALA C C 176.047 0.031 1 162 788 18 ALA CA C 52.143 0.083 1 163 788 18 ALA CB C 21.247 0.064 1 164 788 18 ALA N N 124.160 0.025 1 165 789 19 SER H H 8.698 0.008 1 166 789 19 SER HA H 4.748 0.007 1 167 789 19 SER HB2 H 4.165 0.005 2 168 789 19 SER HB3 H 4.000 0.002 2 169 789 19 SER C C 173.190 0.05 1 170 789 19 SER CA C 56.607 0.037 1 171 789 19 SER CB C 65.339 0.034 1 172 789 19 SER N N 118.202 0.071 1 173 790 20 SER H H 8.520 0.008 1 174 790 20 SER HA H 4.326 0.01 1 175 790 20 SER HB2 H 3.760 0.007 2 176 790 20 SER HB3 H 3.763 0.008 2 177 790 20 SER C C 172.438 0.0 1 178 790 20 SER CA C 61.690 0.071 1 179 790 20 SER CB C 63.662 0.071 1 180 790 20 SER N N 114.073 0.053 1 181 791 21 ASP H H 8.107 0.007 1 182 791 21 ASP HA H 4.658 0.019 1 183 791 21 ASP HB2 H 2.836 0.023 2 184 791 21 ASP HB3 H 2.480 0.014 2 185 791 21 ASP C C 175.813 0.009 1 186 791 21 ASP CA C 52.598 0.091 1 187 791 21 ASP CB C 42.266 0.012 1 188 791 21 ASP N N 110.304 0.064 1 189 792 22 VAL H H 7.131 0.007 1 190 792 22 VAL HA H 4.971 0.019 1 191 792 22 VAL HB H 1.824 0.019 1 192 792 22 VAL HG1 H 0.803 0.038 2 193 792 22 VAL HG2 H 0.701 0.003 2 194 792 22 VAL C C 174.207 0.046 1 195 792 22 VAL CA C 60.390 0.054 1 196 792 22 VAL CB C 35.409 0.085 1 197 792 22 VAL CG1 C 21.383 0.06 2 198 792 22 VAL CG2 C 21.205 0.035 2 199 792 22 VAL N N 117.915 0.035 1 200 793 23 LEU H H 8.721 0.007 1 201 793 23 LEU HA H 4.920 0.011 1 202 793 23 LEU HB2 H 1.442 0.004 2 203 793 23 LEU HB3 H 1.265 0.005 2 204 793 23 LEU HG H 1.441 0.008 1 205 793 23 LEU HD1 H 0.789 0.012 2 206 793 23 LEU HD2 H 0.593 0.003 2 207 793 23 LEU C C 175.156 0.025 1 208 793 23 LEU CA C 53.093 0.073 1 209 793 23 LEU CB C 45.609 0.046 1 210 793 23 LEU CG C 25.989 0.039 1 211 793 23 LEU CD1 C 25.340 0.0 2 212 793 23 LEU CD2 C 25.349 0.017 2 213 793 23 LEU N N 124.718 0.032 1 214 794 24 ARG H H 8.579 0.007 1 215 794 24 ARG HA H 5.100 0.022 1 216 794 24 ARG HB2 H 1.800 0.016 2 217 794 24 ARG HB3 H 1.810 0.02 2 218 794 24 ARG HG2 H 1.509 0.04 2 219 794 24 ARG HG3 H 1.501 0.036 2 220 794 24 ARG HD2 H 3.128 0.013 1 221 794 24 ARG HD3 H 3.128 0.013 1 222 794 24 ARG C C 174.722 0.033 1 223 794 24 ARG CA C 55.453 0.039 1 224 794 24 ARG CB C 31.629 0.046 1 225 794 24 ARG CG C 28.080 0.0 1 226 794 24 ARG CD C 43.163 0.0 1 227 794 24 ARG N N 122.484 0.052 1 228 795 25 VAL H H 8.904 0.008 1 229 795 25 VAL HA H 5.098 0.011 1 230 795 25 VAL HB H 2.083 0.011 1 231 795 25 VAL HG1 H 0.867 0.003 2 232 795 25 VAL HG2 H 0.988 0.002 2 233 795 25 VAL C C 174.648 0.0 1 234 795 25 VAL CA C 59.613 0.083 1 235 795 25 VAL CB C 34.977 0.07 1 236 795 25 VAL CG1 C 20.216 0.031 2 237 795 25 VAL CG2 C 21.864 0.0 2 238 795 25 VAL N N 123.838 0.079 1 239 796 26 THR H H 9.066 0.006 1 240 796 26 THR HA H 4.808 0.011 1 241 796 26 THR HB H 4.099 0.009 1 242 796 26 THR HG2 H 1.030 0.007 1 243 796 26 THR C C 171.661 0.046 1 244 796 26 THR CA C 59.943 0.062 1 245 796 26 THR CB C 71.880 0.051 1 246 796 26 THR CG2 C 20.952 0.039 1 247 796 26 THR N N 116.068 0.02 1 248 797 27 TRP H H 7.650 0.008 1 249 797 27 TRP HA H 4.975 0.016 1 250 797 27 TRP HB2 H 3.438 0.002 2 251 797 27 TRP HB3 H 2.854 0.014 2 252 797 27 TRP C C 173.261 0.015 1 253 797 27 TRP CA C 56.688 0.002 1 254 797 27 TRP CB C 30.213 0.086 1 255 797 27 TRP N N 116.813 0.031 1 256 798 28 VAL H H 8.816 0.008 1 257 798 28 VAL HA H 4.169 0.01 1 258 798 28 VAL HB H 2.052 0.011 1 259 798 28 VAL HG1 H 1.072 0.004 2 260 798 28 VAL HG2 H 0.926 0.024 2 261 798 28 VAL C C 177.698 0.059 1 262 798 28 VAL CA C 62.372 0.029 1 263 798 28 VAL CB C 31.489 0.08 1 264 798 28 VAL CG1 C 21.090 0.0 2 265 798 28 VAL CG2 C 21.656 0.039 2 266 798 28 VAL N N 119.631 0.042 1 267 799 29 GLY H H 9.315 0.011 1 268 799 29 GLY HA2 H 4.181 0.0 2 269 799 29 GLY HA3 H 4.095 0.0 2 270 799 29 GLY C C 173.274 0.06 1 271 799 29 GLY CA C 45.109 0.053 1 272 799 29 GLY N N 113.293 0.068 1 273 800 30 VAL H H 8.123 0.01 1 274 800 30 VAL HA H 4.547 0.007 1 275 800 30 VAL HB H 1.875 0.008 1 276 800 30 VAL HG1 H 0.854 0.013 2 277 800 30 VAL HG2 H 0.863 0.006 2 278 800 30 VAL C C 174.531 0.0 1 279 800 30 VAL CA C 58.695 0.059 1 280 800 30 VAL CB C 34.310 0.069 1 281 800 30 VAL CG1 C 21.919 0.028 1 282 800 30 VAL CG2 C 21.919 0.028 1 283 800 30 VAL N N 120.186 0.063 1 284 802 32 GLY HA2 H 4.129 0.008 2 285 802 32 GLY HA3 H 3.631 0.02 2 286 802 32 GLY C C 174.142 0.001 1 287 802 32 GLY CA C 44.939 0.0 1 288 803 33 ALA H H 7.743 0.007 1 289 803 33 ALA HA H 4.263 0.015 1 290 803 33 ALA HB H 1.236 0.013 1 291 803 33 ALA C C 178.653 0.021 1 292 803 33 ALA CA C 53.396 0.035 1 293 803 33 ALA CB C 17.970 0.085 1 294 803 33 ALA N N 121.629 0.035 1 295 804 34 THR H H 9.555 0.008 1 296 804 34 THR HA H 4.430 0.012 1 297 804 34 THR HB H 4.436 0.005 1 298 804 34 THR HG2 H 1.362 0.002 1 299 804 34 THR C C 176.192 0.023 1 300 804 34 THR CA C 62.430 0.086 1 301 804 34 THR CB C 69.508 0.038 1 302 804 34 THR CG2 C 21.753 0.0 1 303 804 34 THR N N 113.873 0.05 1 304 805 35 SER H H 7.938 0.006 1 305 805 35 SER HA H 4.763 0.015 1 306 805 35 SER HB2 H 3.805 0.008 2 307 805 35 SER HB3 H 4.081 0.023 2 308 805 35 SER C C 170.823 0.025 1 309 805 35 SER CA C 58.003 0.092 1 310 805 35 SER CB C 66.530 0.033 1 311 805 35 SER N N 116.332 0.04 1 312 806 36 TYR H H 8.925 0.009 1 313 806 36 TYR HA H 5.294 0.011 1 314 806 36 TYR HB2 H 2.658 0.016 2 315 806 36 TYR HB3 H 2.550 0.006 2 316 806 36 TYR C C 174.553 0.051 1 317 806 36 TYR CA C 57.327 0.08 1 318 806 36 TYR CB C 42.558 0.049 1 319 806 36 TYR N N 113.898 0.019 1 320 807 37 LYS H H 9.357 0.011 1 321 807 37 LYS HA H 4.971 0.009 1 322 807 37 LYS HB2 H 1.420 0.018 2 323 807 37 LYS HB3 H 1.838 0.024 2 324 807 37 LYS HG2 H 1.177 0.024 2 325 807 37 LYS HG3 H 1.184 0.008 2 326 807 37 LYS HD2 H 1.434 0.006 1 327 807 37 LYS HD3 H 1.434 0.006 1 328 807 37 LYS HE2 H 2.463 0.003 2 329 807 37 LYS HE3 H 2.529 0.01 2 330 807 37 LYS C C 174.213 0.041 1 331 807 37 LYS CA C 55.359 0.021 1 332 807 37 LYS CB C 34.236 0.07 1 333 807 37 LYS CG C 25.257 0.04 1 334 807 37 LYS CD C 29.210 0.0 1 335 807 37 LYS CE C 41.110 0.0 1 336 807 37 LYS N N 122.157 0.087 1 337 808 38 LEU H H 9.100 0.007 1 338 808 38 LEU HA H 5.189 0.018 1 339 808 38 LEU HB2 H 1.198 0.006 2 340 808 38 LEU HB3 H 2.079 0.015 2 341 808 38 LEU HG H 1.733 0.011 1 342 808 38 LEU HD1 H 0.700 0.007 2 343 808 38 LEU HD2 H 0.795 0.002 2 344 808 38 LEU C C 174.132 0.033 1 345 808 38 LEU CA C 53.327 0.051 1 346 808 38 LEU CB C 45.447 0.048 1 347 808 38 LEU CG C 27.554 0.022 1 348 808 38 LEU CD1 C 27.156 0.005 2 349 808 38 LEU CD2 C 27.149 0.018 2 350 808 38 LEU N N 132.114 0.041 1 351 809 39 ALA H H 9.628 0.01 1 352 809 39 ALA HA H 5.937 0.01 1 353 809 39 ALA HB H 1.275 0.003 1 354 809 39 ALA C C 175.970 0.032 1 355 809 39 ALA CA C 50.187 0.074 1 356 809 39 ALA CB C 23.618 0.067 1 357 809 39 ALA N N 129.448 0.058 1 358 810 40 TRP H H 8.688 0.009 1 359 810 40 TRP HA H 6.118 0.018 1 360 810 40 TRP HB2 H 3.510 0.027 2 361 810 40 TRP HB3 H 2.977 0.021 2 362 810 40 TRP C C 174.442 0.017 1 363 810 40 TRP CA C 56.787 0.067 1 364 810 40 TRP CB C 33.364 0.094 1 365 810 40 TRP N N 118.776 0.067 1 366 811 41 GLY H H 8.487 0.007 1 367 811 41 GLY HA3 H 4.345 0.0 1 368 811 41 GLY C C 172.334 0.072 1 369 811 41 GLY CA C 44.824 0.03 1 370 811 41 GLY N N 106.498 0.033 1 371 812 42 ARG H H 9.215 0.009 1 372 812 42 ARG HA H 4.213 0.014 1 373 812 42 ARG HB2 H 1.851 0.0 1 374 812 42 ARG HG3 H 1.289 0.005 1 375 812 42 ARG HD2 H 3.163 0.006 1 376 812 42 ARG HD3 H 3.163 0.006 1 377 812 42 ARG C C 178.951 0.017 1 378 812 42 ARG CA C 57.602 0.045 1 379 812 42 ARG CB C 29.326 0.021 1 380 812 42 ARG CG C 29.040 0.014 1 381 812 42 ARG CD C 43.207 0.047 1 382 812 42 ARG N N 121.592 0.031 1 383 813 43 SER H H 8.899 0.008 1 384 813 43 SER HA H 4.053 0.008 1 385 813 43 SER HB2 H 3.804 0.008 2 386 813 43 SER HB3 H 3.593 0.012 2 387 813 43 SER C C 176.346 0.0 1 388 813 43 SER CA C 60.982 0.027 1 389 813 43 SER CB C 62.839 0.034 1 390 813 43 SER N N 120.705 0.047 1 391 814 44 GLU H H 8.882 0.011 1 392 814 44 GLU HA H 4.254 0.011 1 393 814 44 GLU HB2 H 2.085 0.029 2 394 814 44 GLU HB3 H 2.001 0.016 2 395 814 44 GLU HG2 H 2.255 0.002 1 396 814 44 GLU HG3 H 2.255 0.002 1 397 814 44 GLU C C 176.052 0.07 1 398 814 44 GLU CA C 57.189 0.006 1 399 814 44 GLU CB C 28.655 0.009 1 400 814 44 GLU CG C 36.013 0.0 1 401 814 44 GLU N N 119.568 0.075 1 402 815 45 GLY H H 7.472 0.008 1 403 815 45 GLY HA2 H 4.491 0.009 2 404 815 45 GLY HA3 H 3.776 0.005 2 405 815 45 GLY C C 173.523 0.04 1 406 815 45 GLY CA C 44.182 0.059 1 407 815 45 GLY N N 107.629 0.023 1 408 816 46 GLY H H 8.136 0.007 1 409 816 46 GLY CA C 44.171 0.0 1 410 816 46 GLY N N 108.317 0.054 1 411 817 47 PRO C C 177.224 0.0 1 412 817 47 PRO CA C 63.006 0.0 1 413 817 47 PRO CB C 32.356 0.0 1 414 818 48 MET H H 8.604 0.004 1 415 818 48 MET HA H 4.794 0.01 1 416 818 48 MET HB2 H 1.732 0.008 2 417 818 48 MET HB3 H 1.730 0.007 2 418 818 48 MET HG2 H 2.254 0.006 2 419 818 48 MET HG3 H 2.589 0.004 2 420 818 48 MET C C 176.593 0.031 1 421 818 48 MET CA C 54.126 0.064 1 422 818 48 MET CB C 34.523 0.089 1 423 818 48 MET CG C 32.662 0.054 1 424 818 48 MET N N 121.581 0.085 1 425 819 49 LYS H H 8.147 0.008 1 426 819 49 LYS HA H 4.163 0.013 1 427 819 49 LYS HB2 H 0.908 0.011 2 428 819 49 LYS HB3 H 0.028 0.006 2 429 819 49 LYS HG2 H 1.237 0.005 2 430 819 49 LYS HG3 H 1.134 0.005 2 431 819 49 LYS HD2 H 1.652 0.012 2 432 819 49 LYS HD3 H 1.651 0.012 2 433 819 49 LYS HE2 H 3.044 0.005 2 434 819 49 LYS HE3 H 3.043 0.005 2 435 819 49 LYS C C 174.372 0.037 1 436 819 49 LYS CA C 55.103 0.048 1 437 819 49 LYS CB C 34.223 0.056 1 438 819 49 LYS CG C 25.530 0.0 1 439 819 49 LYS CD C 29.210 0.0 1 440 819 49 LYS CE C 42.193 0.093 1 441 819 49 LYS N N 124.160 0.048 1 442 820 50 HIS H H 7.744 0.011 1 443 820 50 HIS HA H 5.794 0.014 1 444 820 50 HIS HB2 H 2.878 0.014 2 445 820 50 HIS HB3 H 2.885 0.004 2 446 820 50 HIS C C 175.052 0.028 1 447 820 50 HIS CA C 55.860 0.069 1 448 820 50 HIS CB C 34.213 0.064 1 449 820 50 HIS N N 113.216 0.03 1 450 821 51 ARG H H 9.548 0.01 1 451 821 51 ARG HA H 4.698 0.007 1 452 821 51 ARG HB2 H 2.057 0.013 2 453 821 51 ARG HB3 H 2.061 0.011 2 454 821 51 ARG HG2 H 1.936 0.039 2 455 821 51 ARG HG3 H 1.902 0.04 2 456 821 51 ARG HD2 H 3.375 0.009 2 457 821 51 ARG HD3 H 3.377 0.011 2 458 821 51 ARG C C 173.883 0.065 1 459 821 51 ARG CA C 55.305 0.018 1 460 821 51 ARG CB C 35.539 0.023 1 461 821 51 ARG CG C 27.046 0.09 1 462 821 51 ARG CD C 44.140 0.088 1 463 821 51 ARG N N 120.300 0.028 1 464 822 52 ILE H H 8.889 0.009 1 465 822 52 ILE HA H 5.109 0.011 1 466 822 52 ILE HB H 2.049 0.013 1 467 822 52 ILE HG12 H 1.508 0.01 2 468 822 52 ILE HG13 H 1.625 0.009 2 469 822 52 ILE HG2 H 0.958 0.004 1 470 822 52 ILE HD1 H 0.855 0.005 1 471 822 52 ILE C C 176.176 0.022 1 472 822 52 ILE CA C 58.999 0.05 1 473 822 52 ILE CB C 37.088 0.052 1 474 822 52 ILE CG1 C 27.000 0.0 1 475 822 52 ILE CG2 C 17.539 0.015 1 476 822 52 ILE CD1 C 10.634 0.033 1 477 822 52 ILE N N 124.516 0.053 1 478 823 53 LEU H H 9.819 0.009 1 479 823 53 LEU HA H 5.203 0.007 1 480 823 53 LEU HB2 H 1.982 0.012 1 481 823 53 LEU HB3 H 1.982 0.012 1 482 823 53 LEU HG H 1.912 0.011 1 483 823 53 LEU HD1 H 1.157 0.006 2 484 823 53 LEU HD2 H 1.125 0.002 2 485 823 53 LEU C C 174.237 0.0 1 486 823 53 LEU CA C 51.711 0.065 1 487 823 53 LEU CB C 43.694 0.053 1 488 823 53 LEU CG C 28.032 0.078 1 489 823 53 LEU CD1 C 27.097 0.034 2 490 823 53 LEU CD2 C 24.720 0.08 2 491 823 53 LEU N N 130.390 0.048 1 492 824 54 PRO HA H 4.745 0.018 1 493 824 54 PRO HB2 H 2.256 0.003 2 494 824 54 PRO HB3 H 2.580 0.005 2 495 824 54 PRO C C 176.891 0.0 1 496 824 54 PRO CA C 62.770 0.038 1 497 824 54 PRO CB C 32.632 0.0 1 498 825 55 GLY H H 7.608 0.007 1 499 825 55 GLY HA2 H 3.467 0.017 2 500 825 55 GLY HA3 H 3.663 0.017 2 501 825 55 GLY C C 172.527 0.006 1 502 825 55 GLY CA C 45.918 0.0 1 503 825 55 GLY N N 105.584 0.047 1 504 826 56 ASN H H 7.898 0.008 1 505 826 56 ASN HA H 4.950 0.014 1 506 826 56 ASN HB2 H 3.179 0.017 2 507 826 56 ASN HB3 H 2.799 0.009 2 508 826 56 ASN HD21 H 6.750 0.002 1 509 826 56 ASN HD22 H 7.656 0.001 1 510 826 56 ASN C C 175.591 0.02 1 511 826 56 ASN CA C 52.208 0.054 1 512 826 56 ASN CB C 37.322 0.021 1 513 826 56 ASN N N 114.147 0.06 1 514 826 56 ASN ND2 N 110.952 0.095 1 515 827 57 LYS H H 7.845 0.008 1 516 827 57 LYS HA H 4.436 0.0 1 517 827 57 LYS HB2 H 2.201 0.0 1 518 827 57 LYS C C 175.271 0.037 1 519 827 57 LYS CA C 55.335 0.047 1 520 827 57 LYS CB C 34.010 0.055 1 521 827 57 LYS N N 121.418 0.073 1 522 828 58 GLU H H 8.019 0.011 1 523 828 58 GLU HA H 3.052 0.006 1 524 828 58 GLU HB2 H 2.345 0.015 2 525 828 58 GLU HB3 H 1.300 0.009 2 526 828 58 GLU HG2 H 1.731 0.018 2 527 828 58 GLU HG3 H 1.970 0.002 2 528 828 58 GLU C C 173.552 0.068 1 529 828 58 GLU CA C 54.089 0.036 1 530 828 58 GLU CB C 30.428 0.005 1 531 828 58 GLU CG C 37.702 0.017 1 532 828 58 GLU N N 119.712 0.061 1 533 829 59 SER H H 6.581 0.009 1 534 829 59 SER HA H 4.480 0.011 1 535 829 59 SER HB2 H 3.550 0.007 2 536 829 59 SER HB3 H 3.619 0.027 2 537 829 59 SER C C 172.590 0.008 1 538 829 59 SER CA C 56.293 0.086 1 539 829 59 SER CB C 65.580 0.028 1 540 829 59 SER N N 110.376 0.041 1 541 830 60 ALA H H 8.639 0.005 1 542 830 60 ALA HA H 4.554 0.014 1 543 830 60 ALA HB H 1.385 0.016 1 544 830 60 ALA C C 174.651 0.023 1 545 830 60 ALA CA C 51.766 0.044 1 546 830 60 ALA CB C 23.754 0.083 1 547 830 60 ALA N N 119.467 0.051 1 548 831 61 GLU H H 8.454 0.029 1 549 831 61 GLU HA H 5.140 0.01 1 550 831 61 GLU HB2 H 1.757 0.009 2 551 831 61 GLU HB3 H 1.860 0.008 2 552 831 61 GLU HG2 H 1.876 0.009 2 553 831 61 GLU HG3 H 2.067 0.009 2 554 831 61 GLU C C 175.320 0.026 1 555 831 61 GLU CA C 54.505 0.043 1 556 831 61 GLU CB C 32.463 0.055 1 557 831 61 GLU CG C 37.537 0.0 1 558 831 61 GLU N N 119.696 0.045 1 559 832 62 ILE H H 8.993 0.017 1 560 832 62 ILE HA H 3.640 0.012 1 561 832 62 ILE HB H 1.002 0.016 1 562 832 62 ILE HG12 H 0.934 0.019 2 563 832 62 ILE HG13 H 0.934 0.019 2 564 832 62 ILE HG2 H -0.429 0.002 1 565 832 62 ILE HD1 H 0.229 0.003 1 566 832 62 ILE C C 173.801 0.011 1 567 832 62 ILE CA C 61.046 0.065 1 568 832 62 ILE CB C 39.630 0.081 1 569 832 62 ILE CG1 C 26.596 0.081 1 570 832 62 ILE CG2 C 16.233 0.019 1 571 832 62 ILE CD1 C 14.036 0.019 1 572 832 62 ILE N N 126.452 0.09 1 573 833 63 ARG H H 8.162 0.004 1 574 833 63 ARG HA H 4.999 0.0 1 575 833 63 ARG C C 174.506 0.011 1 576 833 63 ARG CA C 54.353 0.024 1 577 833 63 ARG CB C 32.696 0.024 1 578 833 63 ARG N N 124.364 0.09 1 579 834 64 ASP H H 8.605 0.005 1 580 834 64 ASP HA H 4.385 0.01 1 581 834 64 ASP HB2 H 2.891 0.026 2 582 834 64 ASP HB3 H 2.964 0.003 2 583 834 64 ASP C C 175.873 0.003 1 584 834 64 ASP CA C 55.289 0.081 1 585 834 64 ASP CB C 39.069 0.003 1 586 834 64 ASP N N 113.996 0.063 1 587 835 65 LEU H H 8.258 0.007 1 588 835 65 LEU HA H 4.437 0.015 1 589 835 65 LEU HB2 H 1.326 0.005 1 590 835 65 LEU HB3 H 1.326 0.005 1 591 835 65 LEU HG H 1.025 0.011 1 592 835 65 LEU HD1 H 0.038 0.002 2 593 835 65 LEU HD2 H 0.097 0.008 2 594 835 65 LEU C C 175.845 0.076 1 595 835 65 LEU CA C 53.746 0.036 1 596 835 65 LEU CB C 40.859 0.065 1 597 835 65 LEU CG C 25.927 0.003 1 598 835 65 LEU CD1 C 25.794 0.01 2 599 835 65 LEU CD2 C 20.070 0.0 2 600 835 65 LEU N N 118.284 0.062 1 601 836 66 GLU H H 8.285 0.007 1 602 836 66 GLU HA H 4.484 0.019 1 603 836 66 GLU HB2 H 2.010 0.0 1 604 836 66 GLU C C 176.919 0.021 1 605 836 66 GLU CA C 55.074 0.011 1 606 836 66 GLU CB C 32.378 0.044 1 607 836 66 GLU N N 119.860 0.087 1 608 837 67 GLY H H 8.662 0.008 1 609 837 67 GLY HA2 H 4.315 0.012 2 610 837 67 GLY HA3 H 3.540 0.007 2 611 837 67 GLY C C 174.675 0.053 1 612 837 67 GLY CA C 46.765 0.065 1 613 837 67 GLY N N 110.250 0.036 1 614 838 68 GLY H H 7.579 0.01 1 615 838 68 GLY HA2 H 3.953 0.016 2 616 838 68 GLY HA3 H 3.667 0.012 2 617 838 68 GLY C C 174.478 0.0 1 618 838 68 GLY CA C 45.958 0.03 1 619 838 68 GLY N N 115.237 0.067 1 620 839 69 VAL H H 7.601 0.007 1 621 839 69 VAL HA H 4.163 0.014 1 622 839 69 VAL HB H 1.949 0.012 1 623 839 69 VAL HG1 H 0.739 0.011 2 624 839 69 VAL HG2 H 0.381 0.004 2 625 839 69 VAL C C 173.840 0.001 1 626 839 69 VAL CA C 61.149 0.074 1 627 839 69 VAL CB C 34.762 0.078 1 628 839 69 VAL CG1 C 22.345 0.002 2 629 839 69 VAL CG2 C 21.237 0.058 2 630 839 69 VAL N N 120.638 0.063 1 631 840 70 SER H H 8.045 0.009 1 632 840 70 SER HA H 5.180 0.015 1 633 840 70 SER HB2 H 3.706 0.001 2 634 840 70 SER HB3 H 3.699 0.013 2 635 840 70 SER C C 174.668 0.002 1 636 840 70 SER CA C 57.070 0.033 1 637 840 70 SER CB C 63.086 0.075 1 638 840 70 SER N N 117.795 0.03 1 639 841 71 TYR H H 9.820 0.011 1 640 841 71 TYR HA H 5.092 0.009 1 641 841 71 TYR HB2 H 2.701 0.003 2 642 841 71 TYR HB3 H 2.873 0.004 2 643 841 71 TYR C C 175.071 0.04 1 644 841 71 TYR CA C 58.462 0.027 1 645 841 71 TYR CB C 41.618 0.042 1 646 841 71 TYR N N 128.425 0.028 1 647 842 72 SER H H 9.151 0.01 1 648 842 72 SER HA H 5.261 0.004 1 649 842 72 SER HB2 H 3.620 0.012 2 650 842 72 SER HB3 H 3.626 0.002 2 651 842 72 SER C C 173.626 0.009 1 652 842 72 SER CA C 56.970 0.056 1 653 842 72 SER CB C 64.656 0.057 1 654 842 72 SER N N 115.272 0.081 1 655 843 73 VAL H H 8.897 0.008 1 656 843 73 VAL HA H 4.929 0.011 1 657 843 73 VAL HB H 1.900 0.005 1 658 843 73 VAL HG1 H 0.787 0.01 2 659 843 73 VAL HG2 H 0.858 0.006 2 660 843 73 VAL C C 174.168 0.021 1 661 843 73 VAL CA C 61.438 0.042 1 662 843 73 VAL CB C 34.009 0.074 1 663 843 73 VAL CG1 C 20.994 0.009 2 664 843 73 VAL CG2 C 21.451 0.015 2 665 843 73 VAL N N 126.151 0.078 1 666 844 74 ARG H H 9.546 0.01 1 667 844 74 ARG HA H 5.531 0.007 1 668 844 74 ARG HB2 H 1.581 0.005 2 669 844 74 ARG HB3 H 1.670 0.024 2 670 844 74 ARG HG2 H 1.517 0.01 2 671 844 74 ARG HG3 H 1.517 0.01 2 672 844 74 ARG HD2 H 2.987 0.005 2 673 844 74 ARG HD3 H 2.984 0.007 2 674 844 74 ARG C C 175.380 0.043 1 675 844 74 ARG CA C 53.647 0.075 1 676 844 74 ARG CB C 34.805 0.006 1 677 844 74 ARG CG C 26.536 0.016 1 678 844 74 ARG CD C 43.762 0.0 1 679 844 74 ARG N N 125.564 0.035 1 680 845 75 VAL H H 8.859 0.007 1 681 845 75 VAL HA H 4.896 0.008 1 682 845 75 VAL HB H 1.276 0.021 1 683 845 75 VAL HG1 H 0.193 0.006 2 684 845 75 VAL HG2 H -0.179 0.006 2 685 845 75 VAL C C 176.105 0.026 1 686 845 75 VAL CA C 61.369 0.05 1 687 845 75 VAL CB C 34.358 0.092 1 688 845 75 VAL CG1 C 22.000 0.037 2 689 845 75 VAL CG2 C 21.339 0.033 2 690 845 75 VAL N N 122.803 0.023 1 691 846 76 THR H H 8.763 0.008 1 692 846 76 THR HA H 4.290 0.008 1 693 846 76 THR HB H 3.884 0.008 1 694 846 76 THR HG2 H 1.181 0.01 1 695 846 76 THR C C 172.221 0.004 1 696 846 76 THR CA C 61.552 0.08 1 697 846 76 THR CB C 71.254 0.034 1 698 846 76 THR CG2 C 22.298 0.03 1 699 846 76 THR N N 124.704 0.03 1 700 847 77 ALA H H 9.269 0.01 1 701 847 77 ALA HA H 4.768 0.01 1 702 847 77 ALA HB H 1.316 0.014 1 703 847 77 ALA C C 174.658 0.012 1 704 847 77 ALA CA C 51.442 0.034 1 705 847 77 ALA CB C 20.775 0.081 1 706 847 77 ALA N N 129.092 0.079 1 707 848 78 LEU H H 8.151 0.009 1 708 848 78 LEU HA H 5.399 0.011 1 709 848 78 LEU HB2 H 1.433 0.023 2 710 848 78 LEU HB3 H 1.433 0.023 2 711 848 78 LEU HG H 1.456 0.009 1 712 848 78 LEU HD1 H 0.682 0.014 1 713 848 78 LEU HD2 H 0.682 0.014 1 714 848 78 LEU C C 176.733 0.004 1 715 848 78 LEU CA C 55.215 0.056 1 716 848 78 LEU CB C 43.806 0.081 1 717 848 78 LEU CG C 29.907 0.0 1 718 848 78 LEU CD1 C 26.996 0.073 1 719 848 78 LEU CD2 C 26.996 0.073 1 720 848 78 LEU N N 120.154 0.021 1 721 849 79 VAL H H 8.336 0.007 1 722 849 79 VAL HA H 4.213 0.016 1 723 849 79 VAL HB H 1.933 0.032 1 724 849 79 VAL C C 177.833 0.0 1 725 849 79 VAL CA C 62.195 0.086 1 726 849 79 VAL CB C 32.105 0.012 1 727 849 79 VAL N N 120.345 0.067 1 728 850 80 GLY H H 9.194 0.008 1 729 850 80 GLY HA2 H 3.597 0.011 2 730 850 80 GLY HA3 H 4.006 0.008 2 731 850 80 GLY C C 174.342 0.014 1 732 850 80 GLY CA C 47.090 0.031 1 733 850 80 GLY N N 119.354 0.021 1 734 851 81 ASP H H 8.666 0.009 1 735 851 81 ASP HA H 4.627 0.006 1 736 851 81 ASP HB2 H 2.681 0.014 2 737 851 81 ASP HB3 H 2.677 0.014 2 738 851 81 ASP C C 176.030 0.016 1 739 851 81 ASP CA C 53.675 0.031 1 740 851 81 ASP CB C 40.947 0.058 1 741 851 81 ASP N N 126.649 0.042 1 742 852 82 ARG H H 7.962 0.006 1 743 852 82 ARG HA H 4.359 0.015 1 744 852 82 ARG HB2 H 1.957 0.002 2 745 852 82 ARG HB3 H 1.852 0.002 2 746 852 82 ARG HG2 H 1.664 0.0 1 747 852 82 ARG HG3 H 1.664 0.0 1 748 852 82 ARG HD2 H 3.278 0.017 2 749 852 82 ARG HD3 H 3.278 0.017 2 750 852 82 ARG C C 174.528 0.017 1 751 852 82 ARG CA C 56.035 0.039 1 752 852 82 ARG CB C 31.370 0.006 1 753 852 82 ARG CG C 27.484 0.094 1 754 852 82 ARG CD C 43.443 0.0 1 755 852 82 ARG N N 121.842 0.066 1 756 853 83 GLU H H 8.472 0.005 1 757 853 83 GLU HA H 5.054 0.004 1 758 853 83 GLU HB2 H 1.790 0.002 2 759 853 83 GLU HB3 H 2.080 0.008 2 760 853 83 GLU HG2 H 2.213 0.007 1 761 853 83 GLU HG3 H 2.213 0.007 1 762 853 83 GLU C C 178.495 0.023 1 763 853 83 GLU CA C 54.960 0.047 1 764 853 83 GLU CB C 32.776 0.053 1 765 853 83 GLU CG C 36.390 0.0 1 766 853 83 GLU N N 122.233 0.046 1 767 854 84 GLY H H 8.594 0.01 1 768 854 84 GLY HA2 H 4.422 0.009 2 769 854 84 GLY HA3 H 3.708 0.013 2 770 854 84 GLY C C 172.144 0.061 1 771 854 84 GLY CA C 44.012 0.012 1 772 854 84 GLY N N 111.279 0.065 1 773 855 85 ALA H H 8.507 0.006 1 774 855 85 ALA HA H 4.436 0.01 1 775 855 85 ALA HB H 1.365 0.024 1 776 855 85 ALA C C 177.148 0.0 1 777 855 85 ALA CA C 50.190 0.055 1 778 855 85 ALA CB C 17.636 0.0 1 779 855 85 ALA N N 120.892 0.05 1 780 856 86 PRO HA H 4.694 0.0 1 781 856 86 PRO HB3 H 2.648 0.0 1 782 856 86 PRO C C 176.901 0.0 1 783 856 86 PRO CA C 62.594 0.047 1 784 856 86 PRO CB C 32.283 0.0 1 785 857 87 VAL H H 7.947 0.012 1 786 857 87 VAL HA H 4.291 0.011 1 787 857 87 VAL HB H 1.788 0.009 1 788 857 87 VAL HG1 H 1.170 0.005 2 789 857 87 VAL HG2 H 0.986 0.004 2 790 857 87 VAL C C 174.375 0.03 1 791 857 87 VAL CA C 61.949 0.037 1 792 857 87 VAL CB C 34.286 0.055 1 793 857 87 VAL CG1 C 21.930 0.0 2 794 857 87 VAL CG2 C 21.941 0.013 2 795 857 87 VAL N N 121.944 0.058 1 796 858 88 SER H H 8.432 0.008 1 797 858 88 SER HA H 5.900 0.01 1 798 858 88 SER HB2 H 3.626 0.012 2 799 858 88 SER HB3 H 3.632 0.001 2 800 858 88 SER C C 173.713 0.014 1 801 858 88 SER CA C 56.679 0.058 1 802 858 88 SER CB C 66.724 0.019 1 803 858 88 SER N N 118.768 0.015 1 804 859 89 ILE H H 9.061 0.011 1 805 859 89 ILE HA H 4.687 0.027 1 806 859 89 ILE HB H 1.820 0.005 1 807 859 89 ILE HG12 H 1.061 0.0 2 808 859 89 ILE HG13 H 1.193 0.01 2 809 859 89 ILE HG2 H 0.894 0.004 1 810 859 89 ILE HD1 H 0.828 0.011 1 811 859 89 ILE C C 173.030 0.047 1 812 859 89 ILE CA C 60.100 0.047 1 813 859 89 ILE CB C 42.787 0.09 1 814 859 89 ILE CG2 C 17.429 0.08 1 815 859 89 ILE CD1 C 14.200 0.07 1 816 859 89 ILE N N 119.918 0.055 1 817 860 90 VAL H H 8.097 0.01 1 818 860 90 VAL HA H 5.339 0.008 1 819 860 90 VAL HB H 1.875 0.01 1 820 860 90 VAL HG1 H 0.931 0.018 2 821 860 90 VAL HG2 H 0.860 0.009 2 822 860 90 VAL C C 175.719 0.018 1 823 860 90 VAL CA C 60.765 0.064 1 824 860 90 VAL CB C 33.745 0.051 1 825 860 90 VAL CG1 C 21.167 0.029 2 826 860 90 VAL CG2 C 21.153 0.0 2 827 860 90 VAL N N 122.786 0.02 1 828 861 91 ILE H H 9.239 0.008 1 829 861 91 ILE HA H 4.734 0.016 1 830 861 91 ILE HB H 1.846 0.007 1 831 861 91 ILE HG12 H 1.206 0.001 2 832 861 91 ILE HG13 H 1.457 0.004 2 833 861 91 ILE HG2 H 0.937 0.011 1 834 861 91 ILE HD1 H 0.938 0.003 1 835 861 91 ILE C C 173.161 0.016 1 836 861 91 ILE CA C 57.901 0.033 1 837 861 91 ILE CB C 42.084 0.067 1 838 861 91 ILE CG1 C 27.937 0.01 1 839 861 91 ILE CG2 C 18.734 0.035 1 840 861 91 ILE CD1 C 14.530 0.012 1 841 861 91 ILE N N 125.444 0.06 1 842 862 92 THR H H 8.442 0.007 1 843 862 92 THR HA H 5.395 0.007 1 844 862 92 THR HB H 3.882 0.009 1 845 862 92 THR HG2 H 1.042 0.005 1 846 862 92 THR C C 175.359 0.017 1 847 862 92 THR CA C 60.680 0.013 1 848 862 92 THR CB C 69.584 0.056 1 849 862 92 THR CG2 C 20.897 0.078 1 850 862 92 THR N N 122.095 0.09 1 851 863 93 THR H H 9.034 0.007 1 852 863 93 THR HA H 4.227 0.004 1 853 863 93 THR HB H 4.749 0.009 1 854 863 93 THR HG2 H 1.363 0.001 1 855 863 93 THR C C 173.634 0.0 1 856 863 93 THR CA C 59.352 0.05 1 857 863 93 THR CB C 68.175 0.059 1 858 863 93 THR CG2 C 24.423 0.047 1 859 863 93 THR N N 119.939 0.02 1 860 865 95 PRO HA H 4.141 0.02 1 861 865 95 PRO HB2 H 1.966 0.011 2 862 865 95 PRO HB3 H 2.236 0.0 2 863 865 95 PRO C C 176.588 0.0 1 864 865 95 PRO CA C 62.376 0.0 1 865 865 95 PRO CB C 32.127 0.0 1 866 866 96 ALA H H 8.624 0.004 1 867 866 96 ALA HA H 4.372 0.012 1 868 866 96 ALA HB H 1.420 0.01 1 869 866 96 ALA C C 177.815 0.043 1 870 866 96 ALA CA C 52.152 0.094 1 871 866 96 ALA CB C 19.150 0.046 1 872 866 96 ALA N N 123.493 0.033 1 873 867 97 THR H H 8.288 0.005 1 874 867 97 THR HA H 4.588 0.004 1 875 867 97 THR HB H 4.186 0.003 1 876 867 97 THR HG2 H 1.285 0.005 1 877 867 97 THR C C 172.862 0.0 1 878 867 97 THR CA C 60.094 0.027 1 879 867 97 THR CB C 69.684 0.064 1 880 867 97 THR CG2 C 21.547 0.035 1 881 867 97 THR N N 116.433 0.084 1 882 868 98 PRO HA H 4.427 0.03 1 883 868 98 PRO HB2 H 2.267 0.019 2 884 868 98 PRO HB3 H 1.856 0.006 2 885 868 98 PRO HD2 H 3.651 0.002 1 886 868 98 PRO C C 176.778 0.046 1 887 868 98 PRO CA C 63.162 0.0 1 888 868 98 PRO CB C 31.941 0.024 1 889 869 99 ALA H H 8.376 0.008 1 890 869 99 ALA HA H 4.315 0.015 1 891 869 99 ALA HB H 1.412 0.027 1 892 869 99 ALA C C 177.987 0.019 1 893 869 99 ALA CA C 52.549 0.03 1 894 869 99 ALA CB C 19.080 0.052 1 895 869 99 ALA N N 124.183 0.017 1 896 870 100 LEU H H 8.221 0.007 1 897 870 100 LEU HA H 4.363 0.011 1 898 870 100 LEU HB2 H 1.642 0.004 2 899 870 100 LEU HB3 H 1.746 0.0 2 900 870 100 LEU HG H 1.675 0.016 1 901 870 100 LEU HD1 H 0.938 0.007 2 902 870 100 LEU HD2 H 1.005 0.012 2 903 870 100 LEU C C 177.481 0.031 1 904 870 100 LEU CA C 55.423 0.003 1 905 870 100 LEU CB C 42.396 0.009 1 906 870 100 LEU CG C 27.300 0.0 1 907 870 100 LEU CD1 C 24.433 0.014 2 908 870 100 LEU CD2 C 24.697 0.01 2 909 870 100 LEU N N 121.150 0.015 1 910 871 101 LEU H H 8.346 0.005 1 911 871 101 LEU HA H 4.417 0.012 1 912 871 101 LEU HB2 H 1.735 0.017 2 913 871 101 LEU HB3 H 1.735 0.017 2 914 871 101 LEU HG H 1.748 0.015 1 915 871 101 LEU HD1 H 0.977 0.013 2 916 871 101 LEU HD2 H 0.899 0.01 2 917 871 101 LEU C C 177.765 0.002 1 918 871 101 LEU CA C 55.355 0.042 1 919 871 101 LEU CB C 41.871 0.015 1 920 871 101 LEU CG C 27.300 0.0 1 921 871 101 LEU CD1 C 25.600 0.0 2 922 871 101 LEU CD2 C 23.879 0.061 2 923 871 101 LEU N N 122.506 0.039 1 924 872 102 GLU H H 8.470 0.005 1 925 872 102 GLU HA H 4.540 0.009 1 926 872 102 GLU HB2 H 2.254 0.007 2 927 872 102 GLU HB3 H 2.047 0.019 2 928 872 102 GLU HG3 H 2.429 0.002 1 929 872 102 GLU C C 176.786 0.019 1 930 872 102 GLU CA C 56.407 0.035 1 931 872 102 GLU CB C 29.916 0.088 1 932 872 102 GLU CG C 36.480 0.0 1 933 872 102 GLU N N 121.171 0.05 1 934 873 103 THR H H 8.006 0.009 1 935 873 103 THR HA H 4.429 0.01 1 936 873 103 THR HB H 4.526 0.004 1 937 873 103 THR HG2 H 1.320 0.006 1 938 873 103 THR C C 174.225 0.035 1 939 873 103 THR CA C 62.185 0.027 1 940 873 103 THR CB C 70.075 0.072 1 941 873 103 THR CG2 C 21.000 0.0 1 942 873 103 THR N N 111.409 0.052 1 943 874 104 LEU H H 7.687 0.006 1 944 874 104 LEU HA H 4.904 0.014 1 945 874 104 LEU HB2 H 1.517 0.017 2 946 874 104 LEU HB3 H 1.846 0.014 2 947 874 104 LEU HD1 H 0.878 0.02 2 948 874 104 LEU HD2 H 0.999 0.003 2 949 874 104 LEU C C 175.494 0.02 1 950 874 104 LEU CA C 55.826 0.035 1 951 874 104 LEU CB C 43.105 0.048 1 952 874 104 LEU CD1 C 26.907 0.009 1 953 874 104 LEU N N 123.069 0.002 1 954 875 105 GLN H H 9.343 0.007 1 955 875 105 GLN HA H 4.737 0.0 1 956 875 105 GLN HB3 H 1.983 0.005 1 957 875 105 GLN HG3 H 2.350 0.009 1 958 875 105 GLN C C 174.764 0.006 1 959 875 105 GLN CA C 54.278 0.007 1 960 875 105 GLN CB C 32.754 0.036 1 961 875 105 GLN N N 123.165 0.09 1 962 876 106 VAL H H 8.955 0.006 1 963 876 106 VAL HA H 4.452 0.01 1 964 876 106 VAL HB H 2.143 0.007 1 965 876 106 VAL HG1 H 0.892 0.03 2 966 876 106 VAL HG2 H 0.877 0.018 2 967 876 106 VAL C C 176.620 0.027 1 968 876 106 VAL CA C 62.070 0.029 1 969 876 106 VAL CB C 31.333 0.022 1 970 876 106 VAL CG1 C 21.550 0.0 1 971 876 106 VAL N N 123.500 0.07 1 972 877 107 VAL H H 9.071 0.007 1 973 877 107 VAL HA H 4.233 0.018 1 974 877 107 VAL HB H 2.006 0.013 1 975 877 107 VAL HG1 H 0.797 0.023 2 976 877 107 VAL HG2 H 0.884 0.011 2 977 877 107 VAL C C 176.000 0.003 1 978 877 107 VAL CA C 62.561 0.056 1 979 877 107 VAL CB C 32.906 0.086 1 980 877 107 VAL CG1 C 20.509 0.048 2 981 877 107 VAL CG2 C 21.081 0.0 2 982 877 107 VAL N N 124.704 0.08 1 983 878 108 GLN H H 7.539 0.008 1 984 878 108 GLN HA H 4.524 0.017 1 985 878 108 GLN C C 173.464 0.018 1 986 878 108 GLN CA C 56.126 0.023 1 987 878 108 GLN CB C 32.036 0.077 1 988 878 108 GLN N N 118.591 0.045 1 989 879 109 SER H H 8.845 0.008 1 990 879 109 SER HA H 5.047 0.015 1 991 879 109 SER HB2 H 4.028 0.038 2 992 879 109 SER HB3 H 3.929 0.002 2 993 879 109 SER C C 173.085 0.001 1 994 879 109 SER CA C 57.035 0.033 1 995 879 109 SER CB C 65.427 0.002 1 996 879 109 SER N N 120.792 0.058 1 997 880 110 GLY H H 8.527 0.009 1 998 880 110 GLY HA2 H 3.765 0.014 2 999 880 110 GLY HA3 H 4.528 0.021 2 1000 880 110 GLY C C 173.297 0.0 1 1001 880 110 GLY CA C 43.556 0.058 1 1002 880 110 GLY N N 111.551 0.033 1 1003 881 111 GLU H H 8.805 0.008 1 1004 881 111 GLU HA H 4.240 0.005 1 1005 881 111 GLU HB2 H 1.509 0.003 2 1006 881 111 GLU HB3 H 1.686 0.002 2 1007 881 111 GLU HG2 H 1.985 0.004 2 1008 881 111 GLU HG3 H 1.837 0.004 2 1009 881 111 GLU C C 174.827 0.008 1 1010 881 111 GLU CA C 58.718 0.088 1 1011 881 111 GLU CB C 30.041 0.01 1 1012 881 111 GLU CG C 36.270 0.0 1 1013 881 111 GLU N N 121.592 0.036 1 1014 882 112 HIS H H 8.038 0.023 1 1015 882 112 HIS HA H 4.739 0.007 1 1016 882 112 HIS HB2 H 3.584 0.007 2 1017 882 112 HIS HB3 H 2.762 0.015 2 1018 882 112 HIS C C 175.082 0.071 1 1019 882 112 HIS CA C 53.349 0.079 1 1020 882 112 HIS CB C 31.586 0.089 1 1021 882 112 HIS N N 107.997 0.06 1 1022 883 113 SER H H 7.081 0.009 1 1023 883 113 SER HA H 5.447 0.014 1 1024 883 113 SER HB2 H 3.623 0.003 1 1025 883 113 SER HB3 H 3.623 0.003 1 1026 883 113 SER C C 172.110 0.034 1 1027 883 113 SER CA C 56.320 0.042 1 1028 883 113 SER CB C 67.025 0.089 1 1029 883 113 SER N N 111.305 0.038 1 1030 884 114 LEU H H 8.280 0.007 1 1031 884 114 LEU HA H 4.694 0.011 1 1032 884 114 LEU HB2 H 1.079 0.011 2 1033 884 114 LEU HB3 H 1.397 0.012 2 1034 884 114 LEU HG H 1.238 0.003 1 1035 884 114 LEU HD1 H 0.447 0.004 2 1036 884 114 LEU HD2 H 0.920 0.009 2 1037 884 114 LEU C C 174.140 0.012 1 1038 884 114 LEU CA C 54.012 0.087 1 1039 884 114 LEU CB C 47.234 0.081 1 1040 884 114 LEU CG C 26.307 0.0 1 1041 884 114 LEU CD1 C 26.185 0.074 2 1042 884 114 LEU CD2 C 23.652 0.0 2 1043 884 114 LEU N N 118.518 0.045 1 1044 885 115 ARG H H 8.748 0.009 1 1045 885 115 ARG HA H 5.005 0.016 1 1046 885 115 ARG HB2 H 1.731 0.016 2 1047 885 115 ARG HB3 H 1.736 0.002 2 1048 885 115 ARG HG2 H 1.431 0.012 1 1049 885 115 ARG HG3 H 1.431 0.012 1 1050 885 115 ARG HD2 H 2.958 0.005 2 1051 885 115 ARG HD3 H 3.078 0.005 2 1052 885 115 ARG C C 175.302 0.006 1 1053 885 115 ARG CA C 55.926 0.019 1 1054 885 115 ARG CB C 31.814 0.092 1 1055 885 115 ARG CG C 28.035 0.059 1 1056 885 115 ARG CD C 43.163 0.0 1 1057 885 115 ARG N N 122.712 0.077 1 1058 886 116 LEU H H 9.030 0.017 1 1059 886 116 LEU HA H 5.629 0.012 1 1060 886 116 LEU HB2 H 2.103 0.005 2 1061 886 116 LEU HB3 H 1.819 0.027 2 1062 886 116 LEU HG H 1.841 0.038 1 1063 886 116 LEU HD1 H 0.901 0.004 2 1064 886 116 LEU HD2 H 0.986 0.007 2 1065 886 116 LEU C C 176.975 0.032 1 1066 886 116 LEU CA C 53.473 0.094 1 1067 886 116 LEU CB C 45.483 0.065 1 1068 886 116 LEU CG C 27.700 0.0 1 1069 886 116 LEU CD1 C 25.298 0.003 2 1070 886 116 LEU CD2 C 27.117 0.039 2 1071 886 116 LEU N N 126.726 0.09 1 1072 887 117 ARG H H 9.093 0.008 1 1073 887 117 ARG HA H 4.811 0.023 1 1074 887 117 ARG HB2 H 1.731 0.005 2 1075 887 117 ARG HB3 H 1.618 0.003 2 1076 887 117 ARG HG2 H 1.536 0.006 1 1077 887 117 ARG HG3 H 1.536 0.006 1 1078 887 117 ARG HD2 H 3.066 0.004 2 1079 887 117 ARG HD3 H 3.066 0.004 2 1080 887 117 ARG C C 173.096 0.001 1 1081 887 117 ARG CA C 55.488 0.021 1 1082 887 117 ARG CB C 34.306 0.008 1 1083 887 117 ARG CG C 26.737 0.069 1 1084 887 117 ARG CD C 43.308 0.038 1 1085 887 117 ARG N N 120.000 0.046 1 1086 888 118 TRP H H 8.028 0.007 1 1087 888 118 TRP HA H 5.033 0.003 1 1088 888 118 TRP HB2 H 3.005 0.019 2 1089 888 118 TRP HB3 H 3.210 0.0 2 1090 888 118 TRP C C 173.875 0.033 1 1091 888 118 TRP CA C 56.307 0.031 1 1092 888 118 TRP CB C 30.693 0.042 1 1093 888 118 TRP N N 120.058 0.08 1 1094 889 119 GLU H H 8.230 0.009 1 1095 889 119 GLU HA H 4.725 0.004 1 1096 889 119 GLU HB2 H 1.949 0.014 2 1097 889 119 GLU HB3 H 2.190 0.007 2 1098 889 119 GLU HG3 H 2.377 0.0 1 1099 889 119 GLU C C 174.405 0.0 1 1100 889 119 GLU CA C 53.448 0.06 1 1101 889 119 GLU CB C 29.661 0.001 1 1102 889 119 GLU N N 118.032 0.058 1 1103 890 120 PRO HA H 4.499 0.014 1 1104 890 120 PRO HB2 H 1.870 0.0 2 1105 890 120 PRO HB3 H 2.459 0.017 2 1106 890 120 PRO C C 176.585 0.0 1 1107 890 120 PRO CA C 63.036 0.033 1 1108 890 120 PRO CB C 32.646 0.0 1 1109 891 121 VAL H H 8.408 0.008 1 1110 891 121 VAL HA H 4.633 0.022 1 1111 891 121 VAL HB H 2.251 0.005 1 1112 891 121 VAL HG1 H 1.266 0.01 2 1113 891 121 VAL HG2 H 1.036 0.006 2 1114 891 121 VAL C C 173.635 0.0 1 1115 891 121 VAL CA C 59.402 0.061 1 1116 891 121 VAL CB C 33.642 0.044 1 1117 891 121 VAL CG1 C 21.047 0.018 2 1118 891 121 VAL CG2 C 21.605 0.007 2 1119 891 121 VAL N N 122.239 0.024 1 1120 892 122 PRO HA H 4.389 0.029 1 1121 892 122 PRO HB2 H 2.331 0.011 2 1122 892 122 PRO HB3 H 1.970 0.027 2 1123 892 122 PRO HG2 H 2.067 0.007 1 1124 892 122 PRO HG3 H 2.067 0.007 1 1125 892 122 PRO HD2 H 3.752 0.001 1 1126 892 122 PRO HD3 H 3.752 0.001 1 1127 892 122 PRO C C 177.594 0.0 1 1128 892 122 PRO CA C 63.906 0.0 1 1129 892 122 PRO CB C 31.543 0.0 1 1130 892 122 PRO CG C 27.471 0.012 1 1131 892 122 PRO CD C 50.500 0.0 1 1132 893 123 GLY H H 8.816 0.009 1 1133 893 123 GLY HA2 H 4.162 0.017 2 1134 893 123 GLY HA3 H 3.709 0.009 2 1135 893 123 GLY C C 174.521 0.0 1 1136 893 123 GLY CA C 45.197 0.08 1 1137 893 123 GLY N N 112.693 0.072 1 1138 894 124 ALA H H 7.900 0.009 1 1139 894 124 ALA HA H 4.514 0.004 1 1140 894 124 ALA HB H 1.251 0.006 1 1141 894 124 ALA C C 177.699 0.0 1 1142 894 124 ALA CA C 50.493 0.084 1 1143 894 124 ALA CB C 18.759 0.041 1 1144 894 124 ALA N N 124.248 0.041 1 1145 895 125 PRO HA H 4.532 0.0 1 1146 895 125 PRO HB2 H 2.265 0.0 2 1147 895 125 PRO HB3 H 1.822 0.0 2 1148 895 125 PRO C C 175.891 0.007 1 1149 895 125 PRO CA C 63.150 0.0 1 1150 895 125 PRO CB C 31.600 0.0 1 1151 896 126 GLY H H 6.678 0.007 1 1152 896 126 GLY HA2 H 4.302 0.012 2 1153 896 126 GLY HA3 H 3.168 0.03 2 1154 896 126 GLY C C 170.143 0.0 1 1155 896 126 GLY CA C 43.431 0.062 1 1156 896 126 GLY N N 101.407 0.032 1 1157 897 127 PHE H H 8.674 0.006 1 1158 897 127 PHE HA H 5.403 0.014 1 1159 897 127 PHE HB2 H 2.435 0.017 2 1160 897 127 PHE HB3 H 2.969 0.015 2 1161 897 127 PHE C C 173.659 0.005 1 1162 897 127 PHE CA C 56.448 0.031 1 1163 897 127 PHE CB C 44.823 0.075 1 1164 897 127 PHE N N 116.291 0.027 1 1165 898 128 ARG H H 9.271 0.006 1 1166 898 128 ARG HA H 4.936 0.009 1 1167 898 128 ARG HB2 H 1.407 0.011 2 1168 898 128 ARG HB3 H 1.690 0.012 2 1169 898 128 ARG HG2 H 1.098 0.003 2 1170 898 128 ARG HG3 H 0.563 0.005 2 1171 898 128 ARG HD2 H 2.885 0.009 1 1172 898 128 ARG HD3 H 2.885 0.009 1 1173 898 128 ARG C C 173.117 0.001 1 1174 898 128 ARG CA C 55.216 0.024 1 1175 898 128 ARG CB C 32.053 0.032 1 1176 898 128 ARG CG C 27.698 0.065 1 1177 898 128 ARG CD C 43.216 0.02 1 1178 898 128 ARG N N 121.943 0.046 1 1179 899 129 LEU H H 8.718 0.007 1 1180 899 129 LEU HA H 4.732 0.014 1 1181 899 129 LEU HB2 H 1.554 0.013 2 1182 899 129 LEU HB3 H 0.837 0.015 2 1183 899 129 LEU HG H 1.454 0.007 1 1184 899 129 LEU HD1 H 0.657 0.004 2 1185 899 129 LEU HD2 H 0.569 0.009 2 1186 899 129 LEU C C 174.144 0.02 1 1187 899 129 LEU CA C 53.290 0.054 1 1188 899 129 LEU CB C 44.517 0.062 1 1189 899 129 LEU CG C 27.718 0.076 1 1190 899 129 LEU CD1 C 23.605 0.011 2 1191 899 129 LEU CD2 C 27.269 0.002 2 1192 899 129 LEU N N 128.770 0.074 1 1193 900 130 HIS H H 9.035 0.006 1 1194 900 130 HIS HA H 4.891 0.02 1 1195 900 130 HIS HB2 H 1.034 0.009 2 1196 900 130 HIS HB3 H 0.515 0.007 2 1197 900 130 HIS C C 174.336 0.019 1 1198 900 130 HIS CA C 53.206 0.067 1 1199 900 130 HIS CB C 29.455 0.081 1 1200 900 130 HIS N N 124.417 0.05 1 1201 901 131 TRP H H 8.458 0.01 1 1202 901 131 TRP HA H 5.851 0.013 1 1203 901 131 TRP HB2 H 3.320 0.023 2 1204 901 131 TRP HB3 H 2.878 0.0 2 1205 901 131 TRP C C 174.828 0.016 1 1206 901 131 TRP CA C 56.982 0.02 1 1207 901 131 TRP CB C 33.593 0.034 1 1208 901 131 TRP N N 117.665 0.042 1 1209 902 132 GLN H H 9.070 0.007 1 1210 902 132 GLN HA H 5.110 0.004 1 1211 902 132 GLN HB3 H 1.982 0.004 1 1212 902 132 GLN HG3 H 2.392 0.032 1 1213 902 132 GLN C C 174.128 0.0 1 1214 902 132 GLN CA C 53.033 0.088 1 1215 902 132 GLN CB C 32.692 0.0 1 1216 902 132 GLN CG C 31.800 0.0 1 1217 902 132 GLN N N 118.901 0.085 1 1218 903 133 PRO HA H 4.522 0.0 1 1219 903 133 PRO C C 177.247 0.002 1 1220 903 133 PRO CA C 61.870 0.0 1 1221 903 133 PRO CB C 31.223 0.0 1 1222 904 134 GLU H H 8.201 0.007 1 1223 904 134 GLU HA H 4.052 0.007 1 1224 904 134 GLU HB2 H 1.945 0.002 2 1225 904 134 GLU HB3 H 1.945 0.002 2 1226 904 134 GLU HG2 H 2.242 0.002 2 1227 904 134 GLU HG3 H 2.150 0.005 2 1228 904 134 GLU C C 178.117 0.0 1 1229 904 134 GLU CA C 58.064 0.036 1 1230 904 134 GLU CB C 29.419 0.023 1 1231 904 134 GLU CG C 35.601 0.003 1 1232 904 134 GLU N N 123.277 0.023 1 1233 905 135 GLY H H 9.016 0.001 1 1234 905 135 GLY HA2 H 3.789 0.007 2 1235 905 135 GLY HA3 H 4.183 0.019 2 1236 905 135 GLY C C 174.642 0.0 1 1237 905 135 GLY CA C 45.682 0.063 1 1238 905 135 GLY N N 116.914 0.003 1 1239 906 136 GLY H H 8.326 0.006 1 1240 906 136 GLY HA2 H 3.590 0.013 2 1241 906 136 GLY HA3 H 4.796 0.017 2 1242 906 136 GLY C C 173.789 0.012 1 1243 906 136 GLY CA C 43.532 0.069 1 1244 906 136 GLY N N 108.451 0.021 1 1245 907 137 GLN H H 8.675 0.006 1 1246 907 137 GLN HA H 4.512 0.008 1 1247 907 137 GLN HB2 H 1.937 0.003 2 1248 907 137 GLN HB3 H 2.096 0.013 2 1249 907 137 GLN HG2 H 2.429 0.008 2 1250 907 137 GLN HG3 H 2.336 0.003 2 1251 907 137 GLN HE21 H 6.908 0.0 1 1252 907 137 GLN HE22 H 7.621 0.0 1 1253 907 137 GLN C C 176.079 0.032 1 1254 907 137 GLN CA C 55.077 0.02 1 1255 907 137 GLN CB C 30.435 0.012 1 1256 907 137 GLN CG C 33.600 0.0 1 1257 907 137 GLN N N 119.409 0.085 1 1258 907 137 GLN NE2 N 112.933 0.034 1 1259 908 138 GLU H H 8.898 0.007 1 1260 908 138 GLU HA H 4.321 0.007 1 1261 908 138 GLU HB2 H 1.998 0.0 2 1262 908 138 GLU HB3 H 1.815 0.0 2 1263 908 138 GLU C C 175.347 0.007 1 1264 908 138 GLU CA C 56.666 0.015 1 1265 908 138 GLU CB C 30.516 0.017 1 1266 908 138 GLU N N 125.684 0.058 1 1267 909 139 GLN H H 8.527 0.006 1 1268 909 139 GLN HA H 4.262 0.008 1 1269 909 139 GLN HB2 H 1.135 0.022 2 1270 909 139 GLN HB3 H -0.097 0.009 2 1271 909 139 GLN HG2 H 2.026 0.028 2 1272 909 139 GLN HG3 H 1.950 0.021 2 1273 909 139 GLN C C 173.034 0.002 1 1274 909 139 GLN CA C 53.795 0.057 1 1275 909 139 GLN CB C 32.081 0.05 1 1276 909 139 GLN CG C 33.923 0.069 1 1277 909 139 GLN N N 126.101 0.029 1 1278 910 140 SER H H 7.731 0.01 1 1279 910 140 SER HA H 5.351 0.01 1 1280 910 140 SER HB2 H 3.272 0.016 2 1281 910 140 SER HB3 H 2.889 0.007 2 1282 910 140 SER C C 173.612 0.0 1 1283 910 140 SER CA C 57.529 0.049 1 1284 910 140 SER CB C 66.064 0.045 1 1285 910 140 SER N N 109.391 0.033 1 1286 911 141 LEU H H 8.794 0.007 1 1287 911 141 LEU HA H 4.711 0.01 1 1288 911 141 LEU HB2 H 1.745 0.03 2 1289 911 141 LEU HB3 H 1.844 0.018 2 1290 911 141 LEU HG H 1.700 0.011 1 1291 911 141 LEU HD1 H 0.856 0.015 2 1292 911 141 LEU HD2 H 0.674 0.009 2 1293 911 141 LEU C C 175.106 0.006 1 1294 911 141 LEU CA C 54.381 0.038 1 1295 911 141 LEU CB C 45.745 0.005 1 1296 911 141 LEU CG C 26.345 0.013 1 1297 911 141 LEU CD1 C 26.616 0.048 2 1298 911 141 LEU CD2 C 24.724 0.095 2 1299 911 141 LEU N N 119.129 0.065 1 1300 912 142 THR H H 8.405 0.006 1 1301 912 142 THR HA H 5.091 0.011 1 1302 912 142 THR HB H 4.136 0.005 1 1303 912 142 THR HG2 H 1.142 0.018 1 1304 912 142 THR C C 173.486 0.043 1 1305 912 142 THR CA C 61.275 0.052 1 1306 912 142 THR CB C 70.140 0.043 1 1307 912 142 THR CG2 C 22.190 0.015 1 1308 912 142 THR N N 114.910 0.05 1 1309 913 143 LEU H H 9.278 0.009 1 1310 913 143 LEU HA H 4.885 0.02 1 1311 913 143 LEU HB2 H 2.075 0.006 2 1312 913 143 LEU HB3 H 1.738 0.006 2 1313 913 143 LEU C C 177.648 0.033 1 1314 913 143 LEU CA C 53.251 0.07 1 1315 913 143 LEU CB C 46.668 0.076 1 1316 913 143 LEU N N 124.566 0.032 1 1317 914 144 GLY H H 8.928 0.006 1 1318 914 144 GLY HA2 H 4.234 0.003 2 1319 914 144 GLY HA3 H 4.477 0.003 2 1320 914 144 GLY C C 173.033 0.0 1 1321 914 144 GLY CA C 44.853 0.005 1 1322 914 144 GLY N N 108.987 0.052 1 1323 915 145 PRO HA H 4.259 0.018 1 1324 915 145 PRO HB3 H 2.104 0.013 1 1325 915 145 PRO C C 177.119 0.0 1 1326 915 145 PRO CA C 64.237 0.041 1 1327 915 145 PRO CB C 31.951 0.001 1 1328 916 146 GLU H H 9.394 0.005 1 1329 916 146 GLU HA H 4.424 0.01 1 1330 916 146 GLU HB2 H 2.141 0.024 2 1331 916 146 GLU HB3 H 2.045 0.006 2 1332 916 146 GLU HG2 H 2.408 0.004 2 1333 916 146 GLU HG3 H 2.192 0.009 2 1334 916 146 GLU C C 177.071 0.009 1 1335 916 146 GLU CA C 56.960 0.025 1 1336 916 146 GLU CB C 28.295 0.008 1 1337 916 146 GLU CG C 36.090 0.0 1 1338 916 146 GLU N N 118.655 0.035 1 1339 917 147 SER H H 7.868 0.006 1 1340 917 147 SER HA H 4.466 0.01 1 1341 917 147 SER HB2 H 4.064 0.006 2 1342 917 147 SER HB3 H 4.251 0.0 2 1343 917 147 SER C C 173.289 0.007 1 1344 917 147 SER CA C 59.772 0.028 1 1345 917 147 SER CB C 64.529 0.055 1 1346 917 147 SER N N 118.106 0.038 1 1347 918 148 ASN H H 8.288 0.002 1 1348 918 148 ASN HA H 3.020 0.013 1 1349 918 148 ASN HB2 H 2.220 0.023 2 1350 918 148 ASN HB3 H 2.702 0.005 2 1351 918 148 ASN HD21 H 7.109 0.0 1 1352 918 148 ASN HD22 H 6.673 0.0 1 1353 918 148 ASN C C 171.558 0.0 1 1354 918 148 ASN CA C 51.071 0.04 1 1355 918 148 ASN CB C 38.498 0.043 1 1356 918 148 ASN N N 120.468 0.052 1 1357 918 148 ASN ND2 N 111.354 0.006 1 1358 919 149 SER H H 6.655 0.008 1 1359 919 149 SER HA H 4.275 0.022 1 1360 919 149 SER HB2 H 3.663 0.004 2 1361 919 149 SER HB3 H 3.713 0.007 2 1362 919 149 SER C C 172.760 0.003 1 1363 919 149 SER CA C 56.767 0.042 1 1364 919 149 SER CB C 64.921 0.002 1 1365 919 149 SER N N 109.948 0.025 1 1366 920 150 TYR H H 8.282 0.009 1 1367 920 150 TYR HA H 4.313 0.008 1 1368 920 150 TYR HB2 H 2.473 0.018 2 1369 920 150 TYR HB3 H 3.438 0.01 2 1370 920 150 TYR C C 172.134 0.039 1 1371 920 150 TYR CA C 60.010 0.004 1 1372 920 150 TYR CB C 42.934 0.039 1 1373 920 150 TYR N N 119.345 0.067 1 1374 921 151 ASN H H 7.420 0.009 1 1375 921 151 ASN HA H 5.064 0.014 1 1376 921 151 ASN HB2 H 2.219 0.004 2 1377 921 151 ASN HB3 H 2.445 0.011 2 1378 921 151 ASN HD21 H 6.419 0.0 1 1379 921 151 ASN HD22 H 7.111 0.0 1 1380 921 151 ASN C C 171.942 0.0 1 1381 921 151 ASN CA C 51.278 0.032 1 1382 921 151 ASN CB C 38.452 0.053 1 1383 921 151 ASN N N 126.201 0.057 1 1384 921 151 ASN ND2 N 110.098 0.04 1 1385 922 152 LEU H H 8.613 0.01 1 1386 922 152 LEU HA H 4.132 0.014 1 1387 922 152 LEU HB2 H 1.081 0.008 2 1388 922 152 LEU HB3 H 1.524 0.007 2 1389 922 152 LEU HG H 0.923 0.012 1 1390 922 152 LEU HD1 H -0.181 0.006 2 1391 922 152 LEU HD2 H -0.177 0.004 2 1392 922 152 LEU C C 174.636 0.005 1 1393 922 152 LEU CA C 54.427 0.026 1 1394 922 152 LEU CB C 43.083 0.059 1 1395 922 152 LEU CG C 26.270 0.065 1 1396 922 152 LEU CD1 C 22.458 0.059 2 1397 922 152 LEU CD2 C 23.595 0.065 2 1398 922 152 LEU N N 128.140 0.02 1 1399 923 153 VAL H H 7.461 0.005 1 1400 923 153 VAL HA H 4.885 0.017 1 1401 923 153 VAL HB H 2.241 0.007 1 1402 923 153 VAL HG1 H 0.688 0.011 2 1403 923 153 VAL HG2 H 0.765 0.007 2 1404 923 153 VAL C C 175.938 0.025 1 1405 923 153 VAL CA C 59.127 0.078 1 1406 923 153 VAL CB C 33.240 0.081 1 1407 923 153 VAL CG1 C 21.253 0.072 2 1408 923 153 VAL CG2 C 17.940 0.061 2 1409 923 153 VAL N N 116.490 0.015 1 1410 924 154 GLY H H 8.300 0.007 1 1411 924 154 GLY HA2 H 3.792 0.016 2 1412 924 154 GLY HA3 H 3.988 0.016 2 1413 924 154 GLY C C 175.563 0.009 1 1414 924 154 GLY CA C 45.877 0.003 1 1415 924 154 GLY N N 106.782 0.031 1 1416 925 155 LEU H H 8.074 0.011 1 1417 925 155 LEU HA H 4.434 0.013 1 1418 925 155 LEU HB2 H 1.471 0.032 2 1419 925 155 LEU HB3 H 0.990 0.01 2 1420 925 155 LEU HG H 0.981 0.01 1 1421 925 155 LEU HD1 H 0.118 0.005 2 1422 925 155 LEU HD2 H -0.147 0.007 2 1423 925 155 LEU C C 175.882 0.027 1 1424 925 155 LEU CA C 53.272 0.04 1 1425 925 155 LEU CB C 41.065 0.051 1 1426 925 155 LEU CG C 26.063 0.083 1 1427 925 155 LEU CD1 C 19.433 0.028 2 1428 925 155 LEU CD2 C 25.540 0.016 2 1429 925 155 LEU N N 118.769 0.047 1 1430 926 156 GLU H H 8.355 0.008 1 1431 926 156 GLU HA H 4.954 0.002 1 1432 926 156 GLU HB2 H 2.174 0.0 2 1433 926 156 GLU HB3 H 2.032 0.032 2 1434 926 156 GLU HG2 H 2.518 0.012 2 1435 926 156 GLU HG3 H 2.446 0.002 2 1436 926 156 GLU C C 174.438 0.0 1 1437 926 156 GLU CA C 53.313 0.037 1 1438 926 156 GLU CB C 30.906 0.096 1 1439 926 156 GLU CG C 35.707 0.0 1 1440 926 156 GLU N N 120.456 0.08 1 1441 927 157 PRO HA H 5.191 0.021 1 1442 927 157 PRO HB2 H 1.913 0.047 2 1443 927 157 PRO HB3 H 2.438 0.005 2 1444 927 157 PRO HG2 H 2.027 0.0 2 1445 927 157 PRO HG3 H 1.797 0.0 2 1446 927 157 PRO C C 177.981 0.028 1 1447 927 157 PRO CA C 62.841 0.074 1 1448 927 157 PRO CB C 33.164 0.003 1 1449 928 158 ALA H H 7.993 0.012 1 1450 928 158 ALA HA H 3.866 0.012 1 1451 928 158 ALA HB H 1.365 0.013 1 1452 928 158 ALA C C 175.958 0.009 1 1453 928 158 ALA CA C 52.345 0.039 1 1454 928 158 ALA CB C 17.705 0.078 1 1455 928 158 ALA N N 126.904 0.027 1 1456 929 159 THR H H 8.466 0.006 1 1457 929 159 THR HA H 4.502 0.008 1 1458 929 159 THR HB H 3.909 0.012 1 1459 929 159 THR HG2 H 0.755 0.009 1 1460 929 159 THR C C 170.867 0.016 1 1461 929 159 THR CA C 62.928 0.028 1 1462 929 159 THR CB C 71.922 0.091 1 1463 929 159 THR CG2 C 20.099 0.092 1 1464 929 159 THR N N 115.523 0.034 1 1465 930 160 LYS H H 8.483 0.008 1 1466 930 160 LYS HA H 3.990 0.009 1 1467 930 160 LYS HB2 H 1.447 0.0 2 1468 930 160 LYS HB3 H 1.662 0.006 2 1469 930 160 LYS C C 174.492 0.005 1 1470 930 160 LYS CA C 55.677 0.045 1 1471 930 160 LYS CB C 33.293 0.028 1 1472 930 160 LYS N N 126.804 0.018 1 1473 931 161 TYR H H 9.301 0.008 1 1474 931 161 TYR HA H 4.985 0.025 1 1475 931 161 TYR HB2 H 2.683 0.015 2 1476 931 161 TYR HB3 H 2.672 0.01 2 1477 931 161 TYR C C 176.012 0.009 1 1478 931 161 TYR CA C 57.928 0.04 1 1479 931 161 TYR CB C 42.494 0.039 1 1480 931 161 TYR N N 125.920 0.09 1 1481 932 162 GLN H H 8.297 0.008 1 1482 932 162 GLN HA H 5.631 0.012 1 1483 932 162 GLN HB2 H 1.972 0.009 2 1484 932 162 GLN HB3 H 2.313 0.026 2 1485 932 162 GLN HG2 H 2.425 0.018 2 1486 932 162 GLN HG3 H 2.407 0.0 2 1487 932 162 GLN C C 175.966 0.02 1 1488 932 162 GLN CA C 54.857 0.018 1 1489 932 162 GLN CB C 32.623 0.027 1 1490 932 162 GLN CG C 35.036 0.084 1 1491 932 162 GLN N N 116.690 0.078 1 1492 933 163 VAL H H 9.308 0.008 1 1493 933 163 VAL HA H 5.599 0.01 1 1494 933 163 VAL HB H 1.951 0.012 1 1495 933 163 VAL HG1 H 1.045 0.007 2 1496 933 163 VAL HG2 H 0.870 0.007 2 1497 933 163 VAL C C 174.911 0.017 1 1498 933 163 VAL CA C 59.898 0.058 1 1499 933 163 VAL CB C 35.210 0.09 1 1500 933 163 VAL CG1 C 22.425 0.04 2 1501 933 163 VAL CG2 C 20.175 0.045 2 1502 933 163 VAL N N 119.408 0.02 1 1503 934 164 TRP H H 9.145 0.008 1 1504 934 164 TRP HA H 4.989 0.003 1 1505 934 164 TRP HB2 H 3.625 0.0 2 1506 934 164 TRP HB3 H 3.033 0.016 2 1507 934 164 TRP C C 171.731 0.012 1 1508 934 164 TRP CA C 57.542 0.029 1 1509 934 164 TRP CB C 32.204 0.026 1 1510 934 164 TRP N N 122.392 0.011 1 1511 935 165 LEU H H 8.698 0.011 1 1512 935 165 LEU HA H 5.464 0.013 1 1513 935 165 LEU HB2 H 1.058 0.021 2 1514 935 165 LEU HB3 H 1.513 0.008 2 1515 935 165 LEU HG H 1.073 0.009 1 1516 935 165 LEU HD1 H -0.303 0.016 2 1517 935 165 LEU HD2 H -0.369 0.007 2 1518 935 165 LEU C C 176.644 0.062 1 1519 935 165 LEU CA C 53.252 0.054 1 1520 935 165 LEU CB C 48.108 0.038 1 1521 935 165 LEU CG C 26.443 0.059 1 1522 935 165 LEU CD1 C 23.895 0.009 2 1523 935 165 LEU CD2 C 24.481 0.003 2 1524 935 165 LEU N N 122.341 0.06 1 1525 936 166 THR H H 9.563 0.01 1 1526 936 166 THR HA H 4.764 0.011 1 1527 936 166 THR HB H 4.397 0.006 1 1528 936 166 THR HG2 H 1.294 0.028 1 1529 936 166 THR C C 173.985 0.029 1 1530 936 166 THR CA C 60.603 0.08 1 1531 936 166 THR CB C 71.555 0.062 1 1532 936 166 THR CG2 C 21.896 0.054 1 1533 936 166 THR N N 116.403 0.034 1 1534 937 167 VAL H H 8.940 0.01 1 1535 937 167 VAL HA H 4.229 0.019 1 1536 937 167 VAL HB H 2.002 0.016 1 1537 937 167 VAL HG2 H 1.143 0.002 1 1538 937 167 VAL C C 176.904 0.011 1 1539 937 167 VAL CA C 62.440 0.081 1 1540 937 167 VAL CB C 32.331 0.077 1 1541 937 167 VAL CG2 C 21.700 0.0 1 1542 937 167 VAL N N 123.557 0.029 1 1543 938 168 LEU H H 7.639 0.006 1 1544 938 168 LEU HA H 4.029 0.013 1 1545 938 168 LEU HB2 H 1.395 0.007 2 1546 938 168 LEU HB3 H 1.131 0.004 2 1547 938 168 LEU HG H 1.264 0.005 1 1548 938 168 LEU HD1 H 0.745 0.008 2 1549 938 168 LEU HD2 H 0.744 0.008 2 1550 938 168 LEU C C 176.824 0.079 1 1551 938 168 LEU CA C 56.123 0.038 1 1552 938 168 LEU CB C 41.647 0.063 1 1553 938 168 LEU CG C 26.869 0.061 1 1554 938 168 LEU CD2 C 24.961 0.081 1 1555 938 168 LEU N N 128.271 0.046 1 1556 939 169 GLY H H 8.599 0.008 1 1557 939 169 GLY HA2 H 4.105 0.018 2 1558 939 169 GLY HA3 H 3.659 0.012 2 1559 939 169 GLY C C 174.316 0.0 1 1560 939 169 GLY CA C 45.288 0.021 1 1561 939 169 GLY N N 109.199 0.063 1 1562 940 170 GLN H H 7.735 0.008 1 1563 940 170 GLN HA H 4.581 0.008 1 1564 940 170 GLN HB2 H 2.270 0.014 2 1565 940 170 GLN HB3 H 2.002 0.006 2 1566 940 170 GLN HG2 H 2.336 0.005 1 1567 940 170 GLN HG3 H 2.336 0.005 1 1568 940 170 GLN HE21 H 6.916 0.001 1 1569 940 170 GLN HE22 H 7.663 0.005 1 1570 940 170 GLN C C 176.185 0.04 1 1571 940 170 GLN CA C 55.049 0.012 1 1572 940 170 GLN CB C 29.930 0.016 1 1573 940 170 GLN CG C 33.559 0.042 1 1574 940 170 GLN N N 119.122 0.042 1 1575 940 170 GLN NE2 N 111.901 0.095 1 1576 941 171 THR H H 8.565 0.008 1 1577 941 171 THR HA H 4.479 0.002 1 1578 941 171 THR HB H 4.232 0.006 1 1579 941 171 THR HG2 H 1.249 0.007 1 1580 941 171 THR C C 175.107 0.0 1 1581 941 171 THR CA C 61.999 0.032 1 1582 941 171 THR CB C 69.955 0.035 1 1583 941 171 THR CG2 C 21.455 0.042 1 1584 941 171 THR N N 117.235 0.038 1 1585 942 172 GLY H H 8.538 0.015 1 1586 942 172 GLY HA2 H 4.080 0.01 2 1587 942 172 GLY HA3 H 4.016 0.003 2 1588 942 172 GLY C C 174.142 0.0 1 1589 942 172 GLY CA C 45.319 0.014 1 1590 942 172 GLY N N 111.511 0.091 1 1591 943 173 GLU H H 8.590 0.007 1 1592 943 173 GLU HA H 4.368 0.009 1 1593 943 173 GLU HB2 H 1.937 0.016 2 1594 943 173 GLU HB3 H 2.101 0.013 2 1595 943 173 GLU HG2 H 2.279 0.004 1 1596 943 173 GLU HG3 H 2.279 0.004 1 1597 943 173 GLU C C 176.677 0.002 1 1598 943 173 GLU CA C 56.443 0.084 1 1599 943 173 GLU CB C 30.463 0.061 1 1600 943 173 GLU CG C 36.283 0.058 1 1601 943 173 GLU N N 120.808 0.063 1 1602 944 174 GLY H H 8.239 0.007 1 1603 944 174 GLY HA2 H 3.997 0.003 2 1604 944 174 GLY HA3 H 4.160 0.003 2 1605 944 174 GLY C C 171.046 0.0 1 1606 944 174 GLY CA C 44.170 0.001 1 1607 944 174 GLY N N 109.917 0.023 1 1608 946 176 PRO HA H 4.388 0.025 1 1609 946 176 PRO HB2 H 1.304 0.017 2 1610 946 176 PRO HB3 H 2.034 0.014 2 1611 946 176 PRO HG2 H 1.643 0.008 1 1612 946 176 PRO HD2 H 3.706 0.002 2 1613 946 176 PRO HD3 H 3.362 0.004 2 1614 946 176 PRO C C 176.118 0.031 1 1615 946 176 PRO CA C 62.352 0.052 1 1616 946 176 PRO CB C 32.263 0.089 1 1617 946 176 PRO CG C 27.168 0.063 1 1618 946 176 PRO CD C 50.183 0.013 1 1619 947 177 ARG H H 8.648 0.008 1 1620 947 177 ARG HA H 4.282 0.008 1 1621 947 177 ARG HB2 H 1.862 0.009 2 1622 947 177 ARG HB3 H 1.857 0.015 2 1623 947 177 ARG HG2 H 1.695 0.001 2 1624 947 177 ARG HG3 H 1.557 0.004 2 1625 947 177 ARG HD2 H 3.235 0.005 2 1626 947 177 ARG HD3 H 3.235 0.005 2 1627 947 177 ARG C C 175.157 0.007 1 1628 947 177 ARG CA C 55.455 0.028 1 1629 947 177 ARG CB C 29.547 0.075 1 1630 947 177 ARG CG C 27.309 0.023 1 1631 947 177 ARG CD C 43.531 0.0 1 1632 947 177 ARG N N 123.042 0.034 1 1633 948 178 LYS H H 8.251 0.008 1 1634 948 178 LYS HA H 4.804 0.0 1 1635 948 178 LYS HB2 H 1.454 0.0 1 1636 948 178 LYS C C 176.734 0.007 1 1637 948 178 LYS CA C 56.175 0.024 1 1638 948 178 LYS CB C 34.475 0.008 1 1639 948 178 LYS N N 124.190 0.015 1 1640 949 179 VAL H H 9.439 0.009 1 1641 949 179 VAL HA H 4.404 0.004 1 1642 949 179 VAL HB H 2.124 0.007 1 1643 949 179 VAL HG1 H 1.001 0.005 2 1644 949 179 VAL HG2 H 1.061 0.003 2 1645 949 179 VAL C C 175.363 0.025 1 1646 949 179 VAL CA C 61.479 0.051 1 1647 949 179 VAL CB C 33.890 0.094 1 1648 949 179 VAL CG1 C 21.500 0.0 1 1649 949 179 VAL CG2 C 21.500 0.0 1 1650 949 179 VAL N N 125.254 0.048 1 1651 950 180 THR H H 8.700 0.008 1 1652 950 180 THR HA H 5.178 0.01 1 1653 950 180 THR HB H 4.037 0.01 1 1654 950 180 THR HG2 H 1.107 0.004 1 1655 950 180 THR C C 173.530 0.036 1 1656 950 180 THR CA C 62.249 0.059 1 1657 950 180 THR CB C 69.703 0.049 1 1658 950 180 THR CG2 C 22.171 0.063 1 1659 950 180 THR N N 122.361 0.043 1 1660 951 181 ALA H H 9.426 0.009 1 1661 951 181 ALA HA H 4.743 0.021 1 1662 951 181 ALA HB H 1.391 0.013 1 1663 951 181 ALA C C 174.055 0.024 1 1664 951 181 ALA CA C 50.997 0.05 1 1665 951 181 ALA CB C 24.761 0.051 1 1666 951 181 ALA N N 130.808 0.04 1 1667 952 182 TYR H H 8.728 0.006 1 1668 952 182 TYR HA H 5.749 0.009 1 1669 952 182 TYR HB2 H 2.959 0.01 2 1670 952 182 TYR HB3 H 2.725 0.019 2 1671 952 182 TYR C C 178.477 0.02 1 1672 952 182 TYR CA C 56.247 0.028 1 1673 952 182 TYR CB C 40.868 0.078 1 1674 952 182 TYR N N 118.994 0.068 1 1675 953 183 THR H H 8.898 0.007 1 1676 953 183 THR HA H 4.539 0.012 1 1677 953 183 THR HB H 4.781 0.017 1 1678 953 183 THR HG2 H 1.090 0.013 1 1679 953 183 THR C C 175.880 0.023 1 1680 953 183 THR CA C 60.484 0.029 1 1681 953 183 THR CB C 69.219 0.084 1 1682 953 183 THR CG2 C 24.850 0.011 1 1683 953 183 THR N N 113.034 0.03 1 1684 954 184 GLU H H 7.638 0.012 1 1685 954 184 GLU HA H 4.435 0.01 1 1686 954 184 GLU HB2 H 1.414 0.016 1 1687 954 184 GLU C C 174.806 0.0 1 1688 954 184 GLU CA C 54.199 0.0 1 1689 954 184 GLU CB C 30.260 0.081 1 1690 954 184 GLU N N 121.022 0.083 1 1691 955 185 PRO HA H 4.553 0.0 1 1692 955 185 PRO HB2 H 2.036 0.0 2 1693 955 185 PRO HB3 H 2.286 0.0 2 1694 955 185 PRO C C 175.872 0.012 1 1695 955 185 PRO CA C 62.788 0.043 1 1696 955 185 PRO CB C 31.921 0.0 1 1697 956 186 SER H H 7.942 0.007 1 1698 956 186 SER HA H 4.207 0.001 1 1699 956 186 SER HB2 H 3.801 0.0 1 1700 956 186 SER HB3 H 3.801 0.0 1 1701 956 186 SER C C 179.290 0.0 1 1702 956 186 SER CA C 60.141 0.022 1 1703 956 186 SER CB C 64.756 0.094 1 1704 956 186 SER N N 120.447 0.052 1 stop_ save_