data_28012 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone resonance assignments for Human Focal Adhesion Targeting domain (892-1052) ; _BMRB_accession_number 28012 _BMRB_flat_file_name bmr28012.str _Entry_type original _Submission_date 2019-09-10 _Accession_date 2019-09-10 _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 Alvarado Carlos . . 2 Cance William . . 3 Marlowe Timothy . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 488 "13C chemical shifts" 451 "15N chemical shifts" 138 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-04-21 update BMRB 'update entry citation' 2019-10-15 original author 'original release' stop_ _Original_release_date 2019-09-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Development of a fragment-based screening assay for the focal adhesion targeting domain using SPR and NMR ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31540099 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Alvarado Carlos . . 2 Stahl Erik . . 3 Koessel Karissa . . 4 Rivera Andrew . . 5 Cherry Brian R. . 6 Pulavarti Surya . . 7 Szyperski Thomas . . 8 Cance William . . 9 Marlowe Timothy . . stop_ _Journal_abbreviation Molecules _Journal_name_full 'Molecules (Basel, Switzerland)' _Journal_volume 24 _Journal_issue 18 _Journal_ISSN 1420-3049 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first E3352 _Page_last E3352 _Year 2019 _Details . loop_ _Keyword 'Human FAT domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HFAT-892 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HFAT-892 $Human_Focal_Adhesion_Targeting_domain stop_ _System_molecular_weight 19227 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Human_Focal_Adhesion_Targeting_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Human_Focal_Adhesion_Targeting_domain _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; GSHMSSPADSYNEGVKLQPQ EISPPPTANLDRSNDKVYEN VTGLVKAVIEMSSKIQPAPP EEYVPMVKEVGLALRTLLAT VDETIPLLPASTHREIEMAQ KLLNSDLGELINKMKLAQQY VMTSLQQEYKKQMLTAAHAL AVDAKNLLDVIDQARLKMLG QTRPH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 888 GLY 2 889 SER 3 890 HIS 4 891 MET 5 892 SER 6 893 SER 7 894 PRO 8 895 ALA 9 896 ASP 10 897 SER 11 898 TYR 12 899 ASN 13 900 GLU 14 901 GLY 15 902 VAL 16 903 LYS 17 904 LEU 18 905 GLN 19 906 PRO 20 907 GLN 21 908 GLU 22 909 ILE 23 910 SER 24 911 PRO 25 912 PRO 26 913 PRO 27 914 THR 28 915 ALA 29 916 ASN 30 917 LEU 31 918 ASP 32 919 ARG 33 920 SER 34 921 ASN 35 922 ASP 36 923 LYS 37 924 VAL 38 925 TYR 39 926 GLU 40 927 ASN 41 928 VAL 42 929 THR 43 930 GLY 44 931 LEU 45 932 VAL 46 933 LYS 47 934 ALA 48 935 VAL 49 936 ILE 50 937 GLU 51 938 MET 52 939 SER 53 940 SER 54 941 LYS 55 942 ILE 56 943 GLN 57 944 PRO 58 945 ALA 59 946 PRO 60 947 PRO 61 948 GLU 62 949 GLU 63 950 TYR 64 951 VAL 65 952 PRO 66 953 MET 67 954 VAL 68 955 LYS 69 956 GLU 70 957 VAL 71 958 GLY 72 959 LEU 73 960 ALA 74 961 LEU 75 962 ARG 76 963 THR 77 964 LEU 78 965 LEU 79 966 ALA 80 967 THR 81 968 VAL 82 969 ASP 83 970 GLU 84 971 THR 85 972 ILE 86 973 PRO 87 974 LEU 88 975 LEU 89 976 PRO 90 977 ALA 91 978 SER 92 979 THR 93 980 HIS 94 981 ARG 95 982 GLU 96 983 ILE 97 984 GLU 98 985 MET 99 986 ALA 100 987 GLN 101 988 LYS 102 989 LEU 103 990 LEU 104 991 ASN 105 992 SER 106 993 ASP 107 994 LEU 108 995 GLY 109 996 GLU 110 997 LEU 111 998 ILE 112 999 ASN 113 1000 LYS 114 1001 MET 115 1002 LYS 116 1003 LEU 117 1004 ALA 118 1005 GLN 119 1006 GLN 120 1007 TYR 121 1008 VAL 122 1009 MET 123 1010 THR 124 1011 SER 125 1012 LEU 126 1013 GLN 127 1014 GLN 128 1015 GLU 129 1016 TYR 130 1017 LYS 131 1018 LYS 132 1019 GLN 133 1020 MET 134 1021 LEU 135 1022 THR 136 1023 ALA 137 1024 ALA 138 1025 HIS 139 1026 ALA 140 1027 LEU 141 1028 ALA 142 1029 VAL 143 1030 ASP 144 1031 ALA 145 1032 LYS 146 1033 ASN 147 1034 LEU 148 1035 LEU 149 1036 ASP 150 1037 VAL 151 1038 ILE 152 1039 ASP 153 1040 GLN 154 1041 ALA 155 1042 ARG 156 1043 LEU 157 1044 LYS 158 1045 MET 159 1046 LEU 160 1047 GLY 161 1048 GLN 162 1049 THR 163 1050 ARG 164 1051 PRO 165 1052 HIS 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 UNP Q05397 . . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Human_Focal_Adhesion_Targeting_domain Human 9606 Eukaryota Metazoa Homo sapiens 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 _Details $Human_Focal_Adhesion_Targeting_domain 'recombinant technology' . Escherichia coli . pET15B AviTag stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details [U-15N,13C]-HFAT-892 loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling TRIS 100 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 10 mM '[U-99% 2H]' DSS 50 uM 'natural abundance' $Human_Focal_Adhesion_Targeting_domain 0.5 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_PROSA _Saveframe_category software _Name PROSA _Version 6.7 loop_ _Vendor _Address _Electronic_address Guntert . . stop_ loop_ _Task processing stop_ _Details . save_ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model DD2 _Field_strength 600 _Details 'Statler High Field NMR Facility, University at Buffalo' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details 'Statler High Field NMR Facility, University at Buffalo' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_(constant_time)_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic (constant time)' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_(constant_time)_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic (constant time)' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_[H]-NOESY-[NH/CH]_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [H]-NOESY-[NH/CH]' _Sample_label $sample_1 save_ save_1D_1H_13 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 1H' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2 . M pH 8.0 0.1 pH pressure 1 . atm temperature 303 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 aliphatic (constant time)' '2D 1H-13C HSQC aromatic (constant time)' '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HFAT-892 _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 1 890 3 HIS HA H 4.110 0.030 1 2 890 3 HIS HB2 H 3.066 0.030 2 3 890 3 HIS HB3 H 2.798 0.030 2 4 890 3 HIS C C 176.933 0.500 1 5 890 3 HIS CA C 54.496 0.500 1 6 890 3 HIS CB C 31.299 0.500 1 7 891 4 MET H H 8.295 0.030 1 8 891 4 MET HA H 4.388 0.030 1 9 891 4 MET HB2 H 1.964 0.030 2 10 891 4 MET HB3 H 1.978 0.030 2 11 891 4 MET C C 175.736 0.500 1 12 891 4 MET CA C 54.810 0.500 1 13 891 4 MET CB C 32.922 0.500 1 14 891 4 MET N N 120.281 0.500 1 15 892 5 SER H H 8.222 0.030 1 16 892 5 SER HA H 4.455 0.030 1 17 892 5 SER HB2 H 3.842 0.030 2 18 892 5 SER HB3 H 3.842 0.030 2 19 892 5 SER C C 173.963 0.500 1 20 892 5 SER CA C 57.885 0.500 1 21 892 5 SER CB C 63.520 0.500 1 22 892 5 SER N N 116.933 0.500 1 23 893 6 SER H H 8.306 0.030 1 24 893 6 SER C C 172.823 0.500 1 25 893 6 SER CA C 55.907 0.500 1 26 893 6 SER CB C 63.256 0.500 1 27 893 6 SER N N 118.663 0.500 1 28 894 7 PRO HA H 4.388 0.030 1 29 894 7 PRO HB2 H 2.280 0.030 2 30 894 7 PRO HB3 H 1.926 0.030 2 31 894 7 PRO C C 176.730 0.500 1 32 894 7 PRO CA C 63.559 0.500 1 33 894 7 PRO CB C 31.803 0.500 1 34 895 8 ALA H H 8.236 0.030 1 35 895 8 ALA HA H 4.216 0.030 1 36 895 8 ALA HB H 1.313 0.030 1 37 895 8 ALA C C 177.604 0.500 1 38 895 8 ALA CA C 52.609 0.500 1 39 895 8 ALA CB C 19.138 0.500 1 40 895 8 ALA N N 123.247 0.500 1 41 896 9 ASP H H 8.066 0.030 1 42 896 9 ASP HA H 4.542 0.030 1 43 896 9 ASP HB2 H 2.635 0.030 2 44 896 9 ASP HB3 H 2.635 0.030 2 45 896 9 ASP C C 176.338 0.500 1 46 896 9 ASP CA C 54.317 0.500 1 47 896 9 ASP CB C 40.879 0.500 1 48 896 9 ASP N N 118.771 0.500 1 49 897 10 SER H H 7.984 0.030 1 50 897 10 SER HA H 4.340 0.030 1 51 897 10 SER HB2 H 3.756 0.030 2 52 897 10 SER HB3 H 3.756 0.030 2 53 897 10 SER C C 174.280 0.500 1 54 897 10 SER CA C 58.306 0.500 1 55 897 10 SER CB C 63.351 0.500 1 56 897 10 SER N N 115.049 0.500 1 57 898 11 TYR H H 8.107 0.030 1 58 898 11 TYR HA H 4.475 0.030 1 59 898 11 TYR HB2 H 2.980 0.030 2 60 898 11 TYR HB3 H 2.980 0.030 2 61 898 11 TYR C C 175.514 0.500 1 62 898 11 TYR CA C 57.876 0.500 1 63 898 11 TYR CB C 38.431 0.500 1 64 898 11 TYR N N 121.845 0.500 1 65 899 12 ASN H H 8.166 0.030 1 66 899 12 ASN HA H 4.609 0.030 1 67 899 12 ASN HB2 H 2.769 0.030 2 68 899 12 ASN HB3 H 2.654 0.030 2 69 899 12 ASN C C 174.786 0.500 1 70 899 12 ASN CA C 52.952 0.500 1 71 899 12 ASN CB C 39.022 0.500 1 72 899 12 ASN N N 120.443 0.500 1 73 900 13 GLU H H 8.224 0.030 1 74 900 13 GLU HA H 4.187 0.030 1 75 900 13 GLU HB2 H 2.060 0.030 2 76 900 13 GLU HB3 H 1.916 0.030 2 77 900 13 GLU C C 176.813 0.500 1 78 900 13 GLU CA C 56.583 0.500 1 79 900 13 GLU CB C 29.819 0.500 1 80 900 13 GLU N N 121.036 0.500 1 81 901 14 GLY H H 8.271 0.030 1 82 901 14 GLY HA2 H 3.933 0.030 2 83 901 14 GLY HA3 H 3.896 0.030 2 84 901 14 GLY C C 173.963 0.500 1 85 901 14 GLY CA C 45.402 0.500 1 86 901 14 GLY N N 108.974 0.500 1 87 902 15 VAL H H 7.791 0.030 1 88 902 15 VAL HA H 4.034 0.030 1 89 902 15 VAL HB H 2.016 0.030 1 90 902 15 VAL C C 175.894 0.500 1 91 902 15 VAL CA C 62.184 0.500 1 92 902 15 VAL CB C 32.183 0.500 1 93 902 15 VAL N N 119.418 0.500 1 94 903 16 LYS H H 8.231 0.030 1 95 903 16 LYS HA H 4.265 0.030 1 96 903 16 LYS HB2 H 1.720 0.030 2 97 903 16 LYS HB3 H 1.720 0.030 2 98 903 16 LYS C C 176.029 0.500 1 99 903 16 LYS CA C 55.907 0.500 1 100 903 16 LYS CB C 32.729 0.500 1 101 903 16 LYS N N 124.976 0.500 1 102 904 17 LEU H H 8.144 0.030 1 103 904 17 LEU HA H 4.311 0.030 1 104 904 17 LEU HB2 H 1.555 0.030 2 105 904 17 LEU HB3 H 1.500 0.030 2 106 904 17 LEU C C 176.813 0.500 1 107 904 17 LEU CA C 54.717 0.500 1 108 904 17 LEU CB C 42.219 0.500 1 109 904 17 LEU N N 123.744 0.500 1 110 905 18 GLN H H 8.313 0.030 1 111 905 18 GLN C C 173.995 0.500 1 112 905 18 GLN CA C 53.418 0.500 1 113 905 18 GLN CB C 28.415 0.500 1 114 905 18 GLN N N 122.119 0.500 1 115 906 19 PRO HA H 4.357 0.030 1 116 906 19 PRO HB2 H 2.242 0.030 2 117 906 19 PRO HB3 H 1.878 0.030 2 118 906 19 PRO C C 176.813 0.500 1 119 906 19 PRO CA C 63.374 0.500 1 120 906 19 PRO CB C 31.551 0.500 1 121 907 20 GLN H H 8.435 0.030 1 122 907 20 GLN HA H 4.273 0.030 1 123 907 20 GLN HB2 H 2.022 0.030 2 124 907 20 GLN HB3 H 1.936 0.030 2 125 907 20 GLN C C 175.799 0.500 1 126 907 20 GLN CA C 55.739 0.500 1 127 907 20 GLN CB C 29.143 0.500 1 128 907 20 GLN N N 119.903 0.500 1 129 908 21 GLU H H 8.336 0.030 1 130 908 21 GLU HA H 4.264 0.030 1 131 908 21 GLU HB2 H 1.983 0.030 2 132 908 21 GLU HB3 H 1.897 0.030 2 133 908 21 GLU C C 175.989 0.500 1 134 908 21 GLU CA C 56.081 0.500 1 135 908 21 GLU CB C 30.241 0.500 1 136 908 21 GLU N N 121.899 0.500 1 137 909 22 ILE H H 8.078 0.030 1 138 909 22 ILE HA H 4.168 0.030 1 139 909 22 ILE HB H 1.801 0.030 1 140 909 22 ILE C C 175.546 0.500 1 141 909 22 ILE CA C 60.382 0.500 1 142 909 22 ILE CB C 38.500 0.500 1 143 909 22 ILE N N 121.575 0.500 1 144 910 23 SER H H 8.213 0.030 1 145 910 23 SER C C 171.852 0.500 1 146 910 23 SER CA C 55.959 0.500 1 147 910 23 SER CB C 63.084 0.500 1 148 910 23 SER N N 120.604 0.500 1 149 913 26 PRO HA H 4.484 0.030 1 150 913 26 PRO HB2 H 2.300 0.030 2 151 913 26 PRO HB3 H 1.945 0.030 2 152 913 26 PRO C C 176.974 0.500 1 153 913 26 PRO CA C 62.836 0.500 1 154 913 26 PRO CB C 31.719 0.500 1 155 914 27 THR H H 8.081 0.030 1 156 914 27 THR HA H 4.101 0.030 1 157 914 27 THR C C 174.786 0.500 1 158 914 27 THR CA C 62.356 0.500 1 159 914 27 THR CB C 69.070 0.500 1 160 914 27 THR N N 112.853 0.500 1 161 915 28 ALA H H 8.220 0.030 1 162 915 28 ALA HA H 4.216 0.030 1 163 915 28 ALA HB H 1.313 0.030 1 164 915 28 ALA C C 176.800 0.500 1 165 915 28 ALA CA C 52.332 0.500 1 166 915 28 ALA CB C 18.936 0.500 1 167 915 28 ALA N N 125.044 0.500 1 168 916 29 ASN H H 8.236 0.030 1 169 916 29 ASN HA H 4.590 0.030 1 170 916 29 ASN HB2 H 2.769 0.030 2 171 916 29 ASN HB3 H 2.664 0.030 2 172 916 29 ASN C C 174.517 0.500 1 173 916 29 ASN CA C 52.820 0.500 1 174 916 29 ASN CB C 38.549 0.500 1 175 916 29 ASN N N 116.667 0.500 1 176 917 30 LEU H H 7.638 0.030 1 177 917 30 LEU HA H 4.273 0.030 1 178 917 30 LEU HB2 H 1.380 0.030 2 179 917 30 LEU HB3 H 1.380 0.030 2 180 917 30 LEU C C 176.179 0.500 1 181 917 30 LEU CA C 54.050 0.500 1 182 917 30 LEU CB C 42.399 0.500 1 183 917 30 LEU N N 121.629 0.500 1 184 918 31 ASP H H 8.348 0.030 1 185 918 31 ASP HA H 4.417 0.030 1 186 918 31 ASP HB2 H 2.731 0.030 2 187 918 31 ASP HB3 H 2.587 0.030 2 188 918 31 ASP C C 177.402 0.500 1 189 918 31 ASP CA C 54.050 0.500 1 190 918 31 ASP CB C 40.881 0.500 1 191 918 31 ASP N N 121.362 0.500 1 192 919 32 ARG H H 8.693 0.030 1 193 919 32 ARG HA H 4.254 0.030 1 194 919 32 ARG C C 177.541 0.500 1 195 919 32 ARG CA C 54.017 0.500 1 196 919 32 ARG CB C 29.628 0.500 1 197 919 32 ARG N N 124.073 0.500 1 198 920 33 SER H H 8.499 0.030 1 199 920 33 SER HA H 4.063 0.030 1 200 920 33 SER HB2 H 3.813 0.030 2 201 920 33 SER HB3 H 3.813 0.030 2 202 920 33 SER C C 174.755 0.500 1 203 920 33 SER CA C 61.050 0.500 1 204 920 33 SER CB C 62.258 0.500 1 205 920 33 SER N N 118.355 0.500 1 206 921 34 ASN H H 8.476 0.030 1 207 921 34 ASN HA H 4.752 0.030 1 208 921 34 ASN HB2 H 2.874 0.030 2 209 921 34 ASN HB3 H 2.568 0.030 2 210 921 34 ASN C C 173.836 0.500 1 211 921 34 ASN CA C 52.784 0.500 1 212 921 34 ASN CB C 38.515 0.500 1 213 921 34 ASN N N 119.687 0.500 1 214 922 35 ASP H H 7.433 0.030 1 215 922 35 ASP HA H 4.657 0.030 1 216 922 35 ASP HB2 H 2.999 0.030 2 217 922 35 ASP HB3 H 2.464 0.030 2 218 922 35 ASP C C 176.053 0.500 1 219 922 35 ASP CA C 52.816 0.500 1 220 922 35 ASP CB C 41.470 0.500 1 221 922 35 ASP N N 118.963 0.500 1 222 923 36 LYS H H 8.576 0.030 1 223 923 36 LYS HA H 4.094 0.030 1 224 923 36 LYS HB2 H 1.801 0.030 2 225 923 36 LYS HB3 H 1.801 0.030 2 226 923 36 LYS C C 179.155 0.500 1 227 923 36 LYS CA C 57.801 0.500 1 228 923 36 LYS CB C 32.235 0.500 1 229 923 36 LYS N N 126.214 0.500 1 230 924 37 VAL H H 7.908 0.030 1 231 924 37 VAL HA H 3.421 0.030 1 232 924 37 VAL HB H 2.300 0.030 1 233 924 37 VAL C C 177.351 0.500 1 234 924 37 VAL CA C 66.767 0.500 1 235 924 37 VAL CB C 30.231 0.500 1 236 924 37 VAL N N 119.367 0.500 1 237 925 38 TYR H H 8.008 0.030 1 238 925 38 TYR HA H 3.842 0.030 1 239 925 38 TYR HB2 H 3.018 0.030 2 240 925 38 TYR HB3 H 3.018 0.030 2 241 925 38 TYR C C 178.516 0.500 1 242 925 38 TYR CA C 61.817 0.500 1 243 925 38 TYR CB C 38.515 0.500 1 244 925 38 TYR N N 120.604 0.500 1 245 926 39 GLU H H 8.412 0.030 1 246 926 39 GLU HA H 3.851 0.030 1 247 926 39 GLU HB2 H 2.175 0.030 2 248 926 39 GLU HB3 H 2.065 0.030 2 249 926 39 GLU C C 179.060 0.500 1 250 926 39 GLU CA C 59.658 0.500 1 251 926 39 GLU CB C 29.650 0.500 1 252 926 39 GLU N N 120.712 0.500 1 253 927 40 ASN H H 8.353 0.030 1 254 927 40 ASN HA H 4.657 0.030 1 255 927 40 ASN HB2 H 2.889 0.030 2 256 927 40 ASN HB3 H 2.539 0.030 2 257 927 40 ASN C C 178.945 0.500 1 258 927 40 ASN CA C 55.362 0.500 1 259 927 40 ASN CB C 39.215 0.500 1 260 927 40 ASN N N 117.422 0.500 1 261 928 41 VAL H H 9.053 0.030 1 262 928 41 VAL HA H 3.545 0.030 1 263 928 41 VAL HB H 2.083 0.030 1 264 928 41 VAL C C 177.066 0.500 1 265 928 41 VAL CA C 67.137 0.500 1 266 928 41 VAL N N 124.836 0.500 1 267 929 42 THR H H 8.207 0.030 1 268 929 42 THR HA H 3.612 0.030 1 269 929 42 THR C C 177.097 0.500 1 270 929 42 THR CA C 66.921 0.500 1 271 929 42 THR CB C 66.991 0.500 1 272 929 42 THR N N 115.356 0.500 1 273 930 43 GLY H H 8.214 0.030 1 274 930 43 GLY HA2 H 3.957 0.030 2 275 930 43 GLY HA3 H 3.833 0.030 2 276 930 43 GLY C C 176.053 0.500 1 277 930 43 GLY CA C 46.868 0.500 1 278 930 43 GLY N N 108.025 0.500 1 279 931 44 LEU H H 7.715 0.030 1 280 931 44 LEU HA H 4.139 0.030 1 281 931 44 LEU HB2 H 1.437 0.030 2 282 931 44 LEU HB3 H 1.418 0.030 2 283 931 44 LEU C C 177.509 0.500 1 284 931 44 LEU CA C 57.765 0.500 1 285 931 44 LEU CB C 41.654 0.500 1 286 931 44 LEU N N 123.948 0.500 1 287 932 45 VAL H H 8.594 0.030 1 288 932 45 VAL HA H 3.296 0.030 1 289 932 45 VAL HB H 2.089 0.030 1 290 932 45 VAL C C 177.667 0.500 1 291 932 45 VAL CA C 67.839 0.500 1 292 932 45 VAL CB C 31.001 0.500 1 293 932 45 VAL N N 119.849 0.500 1 294 933 46 LYS H H 8.383 0.030 1 295 933 46 LYS HA H 3.900 0.030 1 296 933 46 LYS HB2 H 1.888 0.030 2 297 933 46 LYS HB3 H 1.888 0.030 2 298 933 46 LYS C C 178.522 0.500 1 299 933 46 LYS CA C 59.876 0.500 1 300 933 46 LYS CB C 31.845 0.500 1 301 933 46 LYS N N 118.501 0.500 1 302 934 47 ALA H H 7.756 0.030 1 303 934 47 ALA HA H 4.225 0.030 1 304 934 47 ALA HB H 1.514 0.030 1 305 934 47 ALA C C 180.802 0.500 1 306 934 47 ALA CA C 54.810 0.500 1 307 934 47 ALA CB C 17.239 0.500 1 308 934 47 ALA N N 121.252 0.500 1 309 935 48 VAL H H 8.371 0.030 1 310 935 48 VAL HA H 3.536 0.030 1 311 935 48 VAL HB H 2.309 0.030 1 312 935 48 VAL C C 178.586 0.500 1 313 935 48 VAL CA C 66.952 0.500 1 314 935 48 VAL CB C 31.339 0.500 1 315 935 48 VAL N N 119.957 0.500 1 316 936 49 ILE H H 8.845 0.030 1 317 936 49 ILE HA H 3.641 0.030 1 318 936 49 ILE HB H 2.003 0.030 1 319 936 49 ILE C C 179.282 0.500 1 320 936 49 ILE CA C 65.317 0.500 1 321 936 49 ILE CB C 37.197 0.500 1 322 936 49 ILE N N 124.865 0.500 1 323 937 50 GLU H H 8.500 0.030 1 324 937 50 GLU HA H 4.015 0.030 1 325 937 50 GLU HB2 H 2.098 0.030 2 326 937 50 GLU HB3 H 1.955 0.030 2 327 937 50 GLU C C 179.249 0.500 1 328 937 50 GLU CA C 59.478 0.500 1 329 937 50 GLU CB C 28.854 0.500 1 330 937 50 GLU N N 121.467 0.500 1 331 938 51 MET H H 8.027 0.030 1 332 938 51 MET HA H 4.130 0.030 1 333 938 51 MET HB2 H 2.190 0.030 2 334 938 51 MET HB3 H 2.190 0.030 2 335 938 51 MET C C 178.269 0.500 1 336 938 51 MET CA C 59.116 0.500 1 337 938 51 MET CB C 32.352 0.500 1 338 938 51 MET N N 118.532 0.500 1 339 939 52 SER H H 8.570 0.030 1 340 939 52 SER HA H 4.055 0.030 1 341 939 52 SER HB2 H 3.894 0.030 2 342 939 52 SER HB3 H 3.894 0.030 2 343 939 52 SER C C 175.451 0.500 1 344 939 52 SER CA C 62.325 0.500 1 345 939 52 SER CB C 62.100 0.500 1 346 939 52 SER N N 114.240 0.500 1 347 940 53 SER H H 7.844 0.030 1 348 940 53 SER HA H 4.388 0.030 1 349 940 53 SER HB2 H 4.005 0.030 2 350 940 53 SER HB3 H 4.005 0.030 2 351 940 53 SER C C 175.277 0.500 1 352 940 53 SER CA C 60.324 0.500 1 353 940 53 SER CB C 63.351 0.500 1 354 940 53 SER N N 115.319 0.500 1 355 941 54 LYS H H 7.603 0.030 1 356 941 54 LYS HA H 4.379 0.030 1 357 941 54 LYS HB2 H 1.926 0.030 2 358 941 54 LYS HB3 H 1.830 0.030 2 359 941 54 LYS C C 177.762 0.500 1 360 941 54 LYS CA C 56.752 0.500 1 361 941 54 LYS CB C 34.040 0.500 1 362 941 54 LYS N N 119.633 0.500 1 363 942 55 ILE H H 7.674 0.030 1 364 942 55 ILE HA H 3.842 0.030 1 365 942 55 ILE HB H 1.918 0.030 1 366 942 55 ILE C C 176.654 0.500 1 367 942 55 ILE CA C 64.268 0.500 1 368 942 55 ILE CB C 37.954 0.500 1 369 942 55 ILE N N 117.476 0.500 1 370 943 56 GLN H H 8.541 0.030 1 371 943 56 GLN C C 176.047 0.500 1 372 943 56 GLN CA C 61.544 0.500 1 373 943 56 GLN N N 119.868 0.500 1 374 944 57 PRO HA H 4.666 0.030 1 375 944 57 PRO HB2 H 2.165 0.030 2 376 944 57 PRO HB3 H 1.964 0.030 2 377 944 57 PRO C C 176.974 0.500 1 378 944 57 PRO CA C 63.436 0.500 1 379 944 57 PRO CB C 31.383 0.500 1 380 945 58 ALA H H 7.170 0.030 1 381 945 58 ALA HB H 1.586 0.030 1 382 945 58 ALA C C 175.388 0.500 1 383 945 58 ALA CA C 50.989 0.500 1 384 945 58 ALA CB C 19.452 0.500 1 385 945 58 ALA N N 122.924 0.500 1 386 947 60 PRO HA H 2.300 0.030 1 387 947 60 PRO HB2 H 1.888 0.030 2 388 947 60 PRO HB3 H 1.763 0.030 2 389 947 60 PRO C C 177.441 0.500 1 390 947 60 PRO CA C 64.361 0.500 1 391 947 60 PRO CB C 31.299 0.500 1 392 948 61 GLU H H 9.238 0.030 1 393 948 61 GLU HA H 3.967 0.030 1 394 948 61 GLU HB2 H 1.945 0.030 2 395 948 61 GLU HB3 H 1.945 0.030 2 396 948 61 GLU C C 177.572 0.500 1 397 948 61 GLU CA C 59.062 0.500 1 398 948 61 GLU CB C 28.451 0.500 1 399 948 61 GLU N N 116.025 0.500 1 400 949 62 GLU H H 7.896 0.030 1 401 949 62 GLU HA H 4.408 0.030 1 402 949 62 GLU HB2 H 2.233 0.030 2 403 949 62 GLU HB3 H 2.233 0.030 2 404 949 62 GLU C C 177.731 0.500 1 405 949 62 GLU CA C 56.540 0.500 1 406 949 62 GLU CB C 30.721 0.500 1 407 949 62 GLU N N 116.343 0.500 1 408 950 63 TYR H H 7.908 0.030 1 409 950 63 TYR HB2 H 3.197 0.030 2 410 950 63 TYR HB3 H 2.813 0.030 2 411 950 63 TYR C C 177.731 0.500 1 412 950 63 TYR CA C 56.712 0.500 1 413 950 63 TYR CB C 37.701 0.500 1 414 950 63 TYR N N 116.667 0.500 1 415 952 65 PRO HA H 4.264 0.030 1 416 952 65 PRO HB2 H 1.859 0.030 2 417 952 65 PRO HB3 H 1.859 0.030 2 418 952 65 PRO C C 179.148 0.500 1 419 952 65 PRO CA C 65.718 0.500 1 420 952 65 PRO CB C 30.626 0.500 1 421 953 66 MET H H 7.104 0.030 1 422 953 66 MET C C 178.807 0.500 1 423 953 66 MET CA C 59.062 0.500 1 424 953 66 MET CB C 32.992 0.500 1 425 953 66 MET N N 114.905 0.500 1 426 954 67 VAL H H 8.189 0.030 1 427 954 67 VAL HA H 3.555 0.030 1 428 954 67 VAL HB H 2.290 0.030 1 429 954 67 VAL C C 178.274 0.500 1 430 954 67 VAL CA C 66.211 0.500 1 431 954 67 VAL CB C 31.377 0.500 1 432 954 67 VAL N N 120.874 0.500 1 433 955 68 LYS H H 8.238 0.030 1 434 955 68 LYS HA H 4.019 0.030 1 435 955 68 LYS HB2 H 1.974 0.030 2 436 955 68 LYS HB3 H 1.916 0.030 2 437 955 68 LYS C C 179.345 0.500 1 438 955 68 LYS CA C 59.683 0.500 1 439 955 68 LYS CB C 31.423 0.500 1 440 955 68 LYS N N 121.624 0.500 1 441 956 69 GLU H H 7.797 0.030 1 442 956 69 GLU HA H 4.053 0.030 1 443 956 69 GLU HB2 H 2.186 0.030 2 444 956 69 GLU HB3 H 2.186 0.030 2 445 956 69 GLU C C 179.694 0.500 1 446 956 69 GLU CA C 59.369 0.500 1 447 956 69 GLU CB C 28.975 0.500 1 448 956 69 GLU N N 118.932 0.500 1 449 957 70 VAL H H 7.688 0.030 1 450 957 70 VAL HA H 3.469 0.030 1 451 957 70 VAL HB H 2.280 0.030 1 452 957 70 VAL C C 177.477 0.500 1 453 957 70 VAL CA C 66.545 0.500 1 454 957 70 VAL CB C 31.085 0.500 1 455 957 70 VAL N N 121.367 0.500 1 456 958 71 GLY H H 8.545 0.030 1 457 958 71 GLY HA2 H 3.986 0.030 2 458 958 71 GLY HA3 H 3.698 0.030 2 459 958 71 GLY C C 176.274 0.500 1 460 958 71 GLY CA C 47.373 0.500 1 461 958 71 GLY N N 106.351 0.500 1 462 959 72 LEU H H 8.254 0.030 1 463 959 72 LEU HA H 4.110 0.030 1 464 959 72 LEU HB2 H 1.763 0.030 2 465 959 72 LEU HB3 H 1.648 0.030 2 466 959 72 LEU C C 179.440 0.500 1 467 959 72 LEU CA C 57.758 0.500 1 468 959 72 LEU CB C 41.402 0.500 1 469 959 72 LEU N N 123.625 0.500 1 470 960 73 ALA H H 7.990 0.030 1 471 960 73 ALA HA H 4.120 0.030 1 472 960 73 ALA HB H 1.466 0.030 1 473 960 73 ALA C C 181.213 0.500 1 474 960 73 ALA CA C 54.605 0.500 1 475 960 73 ALA CB C 17.097 0.500 1 476 960 73 ALA N N 123.031 0.500 1 477 961 74 LEU H H 8.693 0.030 1 478 961 74 LEU HA H 4.110 0.030 1 479 961 74 LEU HB2 H 2.179 0.030 2 480 961 74 LEU HB3 H 1.524 0.030 2 481 961 74 LEU C C 177.636 0.500 1 482 961 74 LEU CA C 57.765 0.500 1 483 961 74 LEU CB C 40.795 0.500 1 484 961 74 LEU N N 121.198 0.500 1 485 962 75 ARG H H 8.506 0.030 1 486 962 75 ARG HA H 3.890 0.030 1 487 962 75 ARG HB2 H 2.012 0.030 2 488 962 75 ARG HB3 H 2.011 0.030 2 489 962 75 ARG C C 179.567 0.500 1 490 962 75 ARG CA C 59.943 0.500 1 491 962 75 ARG CB C 29.312 0.500 1 492 962 75 ARG N N 120.766 0.500 1 493 963 76 THR H H 8.178 0.030 1 494 963 76 THR HA H 4.156 0.030 1 495 963 76 THR C C 175.831 0.500 1 496 963 76 THR CA C 66.335 0.500 1 497 963 76 THR CB C 68.566 0.500 1 498 963 76 THR N N 116.937 0.500 1 499 964 77 LEU H H 7.685 0.030 1 500 964 77 LEU HA H 4.197 0.030 1 501 964 77 LEU HB2 H 2.360 0.030 2 502 964 77 LEU HB3 H 1.373 0.030 2 503 964 77 LEU C C 177.840 0.500 1 504 964 77 LEU CA C 57.892 0.500 1 505 964 77 LEU CB C 40.820 0.500 1 506 964 77 LEU N N 122.007 0.500 1 507 965 78 LEU H H 8.933 0.030 1 508 965 78 LEU HA H 3.803 0.030 1 509 965 78 LEU HB2 H 1.916 0.030 2 510 965 78 LEU HB3 H 1.591 0.030 2 511 965 78 LEU C C 178.301 0.500 1 512 965 78 LEU CA C 58.440 0.500 1 513 965 78 LEU CB C 39.950 0.500 1 514 965 78 LEU N N 118.231 0.500 1 515 966 79 ALA H H 7.826 0.030 1 516 966 79 ALA HA H 4.235 0.030 1 517 966 79 ALA HB H 1.535 0.030 1 518 966 79 ALA C C 180.549 0.500 1 519 966 79 ALA CA C 54.782 0.500 1 520 966 79 ALA CB C 17.726 0.500 1 521 966 79 ALA N N 121.306 0.500 1 522 967 80 THR H H 8.101 0.030 1 523 967 80 THR HA H 3.961 0.030 1 524 967 80 THR C C 178.016 0.500 1 525 967 80 THR CA C 65.965 0.500 1 526 967 80 THR CB C 67.893 0.500 1 527 967 80 THR N N 117.260 0.500 1 528 968 81 VAL H H 8.681 0.030 1 529 968 81 VAL HA H 3.315 0.030 1 530 968 81 VAL HB H 2.234 0.030 1 531 968 81 VAL C C 177.644 0.500 1 532 968 81 VAL CA C 67.538 0.500 1 533 968 81 VAL CB C 30.890 0.500 1 534 968 81 VAL N N 124.865 0.500 1 535 969 82 ASP H H 8.435 0.030 1 536 969 82 ASP HA H 4.407 0.030 1 537 969 82 ASP HB2 H 2.906 0.030 2 538 969 82 ASP HB3 H 2.577 0.030 2 539 969 82 ASP C C 178.617 0.500 1 540 969 82 ASP CA C 57.789 0.500 1 541 969 82 ASP CB C 39.888 0.500 1 542 969 82 ASP N N 122.061 0.500 1 543 970 83 GLU H H 7.422 0.030 1 544 970 83 GLU HA H 4.150 0.030 1 545 970 83 GLU HB2 H 2.144 0.030 2 546 970 83 GLU HB3 H 2.144 0.030 2 547 970 83 GLU C C 177.009 0.500 1 548 970 83 GLU CA C 57.549 0.500 1 549 970 83 GLU CB C 29.796 0.500 1 550 970 83 GLU N N 115.642 0.500 1 551 971 84 THR H H 7.813 0.030 1 552 971 84 THR HA H 4.160 0.030 1 553 971 84 THR C C 174.660 0.500 1 554 971 84 THR CA C 64.707 0.500 1 555 971 84 THR CB C 68.986 0.500 1 556 971 84 THR N N 116.545 0.500 1 557 972 85 ILE H H 7.756 0.030 1 558 972 85 ILE HA H 3.451 0.030 1 559 972 85 ILE HB H 1.725 0.030 1 560 972 85 ILE C C 173.678 0.500 1 561 972 85 ILE CA C 67.809 0.500 1 562 972 85 ILE CB C 36.489 0.500 1 563 972 85 ILE N N 122.115 0.500 1 564 973 86 PRO HA H 4.360 0.030 1 565 973 86 PRO HB2 H 2.367 0.030 2 566 973 86 PRO HB3 H 1.677 0.030 2 567 973 86 PRO C C 177.340 0.500 1 568 973 86 PRO CA C 64.781 0.500 1 569 973 86 PRO CB C 31.047 0.500 1 570 974 87 LEU H H 7.797 0.030 1 571 974 87 LEU HA H 4.321 0.030 1 572 974 87 LEU HB2 H 1.957 0.030 2 573 974 87 LEU HB3 H 1.957 0.030 2 574 974 87 LEU C C 177.129 0.500 1 575 974 87 LEU CA C 54.689 0.500 1 576 974 87 LEU CB C 41.654 0.500 1 577 974 87 LEU N N 115.696 0.500 1 578 975 88 LEU H H 7.986 0.030 1 579 975 88 LEU C C 177.224 0.500 1 580 975 88 LEU CA C 57.801 0.500 1 581 975 88 LEU CB C 40.963 0.500 1 582 975 88 LEU N N 119.580 0.500 1 583 978 91 SER HA H 4.138 0.030 1 584 978 91 SER C C 175.674 0.500 1 585 978 91 SER CA C 60.060 0.500 1 586 978 91 SER CB C 62.247 0.500 1 587 979 92 THR H H 8.030 0.030 1 588 979 92 THR HA H 4.617 0.030 1 589 979 92 THR C C 175.926 0.500 1 590 979 92 THR CA C 62.310 0.500 1 591 979 92 THR CB C 70.416 0.500 1 592 979 92 THR N N 112.447 0.500 1 593 980 93 HIS H H 7.513 0.030 1 594 980 93 HIS HA H 4.180 0.030 1 595 980 93 HIS HB2 H 3.171 0.030 2 596 980 93 HIS HB3 H 3.171 0.030 2 597 980 93 HIS C C 177.192 0.500 1 598 980 93 HIS CA C 58.440 0.500 1 599 980 93 HIS CB C 30.241 0.500 1 600 980 93 HIS N N 120.056 0.500 1 601 981 94 ARG H H 8.734 0.030 1 602 981 94 ARG HA H 4.164 0.030 1 603 981 94 ARG HB2 H 1.885 0.030 2 604 981 94 ARG HB3 H 1.885 0.030 2 605 981 94 ARG C C 178.617 0.500 1 606 981 94 ARG CA C 59.151 0.500 1 607 981 94 ARG CB C 29.143 0.500 1 608 981 94 ARG N N 119.310 0.500 1 609 982 95 GLU H H 8.242 0.030 1 610 982 95 GLU HA H 4.070 0.030 1 611 982 95 GLU HB2 H 2.125 0.030 2 612 982 95 GLU HB3 H 2.025 0.030 2 613 982 95 GLU C C 179.599 0.500 1 614 982 95 GLU CA C 59.642 0.500 1 615 982 95 GLU CB C 28.944 0.500 1 616 982 95 GLU N N 118.878 0.500 1 617 983 96 ILE H H 7.668 0.030 1 618 983 96 ILE HA H 3.510 0.030 1 619 983 96 ILE HB H 1.829 0.030 1 620 983 96 ILE C C 177.287 0.500 1 621 983 96 ILE CA C 65.564 0.500 1 622 983 96 ILE CB C 37.671 0.500 1 623 983 96 ILE N N 120.766 0.500 1 624 984 97 GLU H H 8.635 0.030 1 625 984 97 GLU HA H 4.300 0.030 1 626 984 97 GLU HB2 H 2.196 0.030 2 627 984 97 GLU HB3 H 2.083 0.030 2 628 984 97 GLU C C 180.264 0.500 1 629 984 97 GLU CA C 59.116 0.500 1 630 984 97 GLU CB C 29.143 0.500 1 631 984 97 GLU N N 120.820 0.500 1 632 985 98 MET H H 8.322 0.030 1 633 985 98 MET HA H 4.175 0.030 1 634 985 98 MET HB2 H 2.156 0.030 2 635 985 98 MET HB3 H 2.156 0.030 2 636 985 98 MET C C 178.491 0.500 1 637 985 98 MET CA C 58.531 0.500 1 638 985 98 MET CB C 32.098 0.500 1 639 985 98 MET N N 118.015 0.500 1 640 986 99 ALA H H 7.709 0.030 1 641 986 99 ALA HA H 4.191 0.030 1 642 986 99 ALA HB H 1.586 0.030 1 643 986 99 ALA C C 180.549 0.500 1 644 986 99 ALA CA C 54.605 0.500 1 645 986 99 ALA CB C 18.562 0.500 1 646 986 99 ALA N N 123.193 0.500 1 647 987 100 GLN H H 8.535 0.030 1 648 987 100 GLN HA H 3.819 0.030 1 649 987 100 GLN HB2 H 2.449 0.030 2 650 987 100 GLN HB3 H 2.083 0.030 2 651 987 100 GLN C C 177.794 0.500 1 652 987 100 GLN CA C 59.724 0.500 1 653 987 100 GLN CB C 30.325 0.500 1 654 987 100 GLN N N 118.285 0.500 1 655 988 101 LYS H H 8.103 0.030 1 656 988 101 LYS HA H 4.033 0.030 1 657 988 101 LYS HB2 H 1.953 0.030 2 658 988 101 LYS HB3 H 1.953 0.030 2 659 988 101 LYS C C 179.686 0.500 1 660 988 101 LYS CA C 59.642 0.500 1 661 988 101 LYS CB C 31.983 0.500 1 662 988 101 LYS N N 119.553 0.500 1 663 989 102 LEU H H 7.873 0.030 1 664 989 102 LEU HA H 4.117 0.030 1 665 989 102 LEU HB2 H 1.800 0.030 2 666 989 102 LEU HB3 H 1.649 0.030 2 667 989 102 LEU C C 178.522 0.500 1 668 989 102 LEU CA C 57.945 0.500 1 669 989 102 LEU CB C 41.611 0.500 1 670 989 102 LEU N N 121.252 0.500 1 671 990 103 LEU H H 7.539 0.030 1 672 990 103 LEU HA H 4.154 0.030 1 673 990 103 LEU HB2 H 2.029 0.030 2 674 990 103 LEU HB3 H 1.547 0.030 2 675 990 103 LEU C C 178.807 0.500 1 676 990 103 LEU CA C 58.068 0.500 1 677 990 103 LEU CB C 41.222 0.500 1 678 990 103 LEU N N 117.692 0.500 1 679 992 105 SER HA H 4.253 0.030 1 680 992 105 SER HB2 H 4.049 0.030 2 681 992 105 SER HB3 H 4.049 0.030 2 682 992 105 SER C C 177.055 0.500 1 683 992 105 SER CA C 61.862 0.500 1 684 992 105 SER CB C 61.862 0.500 1 685 993 106 ASP H H 8.881 0.030 1 686 993 106 ASP HA H 4.416 0.030 1 687 993 106 ASP HB2 H 3.250 0.030 2 688 993 106 ASP HB3 H 2.592 0.030 2 689 993 106 ASP C C 178.744 0.500 1 690 993 106 ASP CA C 55.867 0.500 1 691 993 106 ASP CB C 38.290 0.500 1 692 993 106 ASP N N 123.085 0.500 1 693 994 107 LEU H H 8.260 0.030 1 694 994 107 LEU HA H 4.049 0.030 1 695 994 107 LEU HB2 H 2.036 0.030 2 696 994 107 LEU HB3 H 1.480 0.030 2 697 994 107 LEU C C 177.921 0.500 1 698 994 107 LEU CA C 57.765 0.500 1 699 994 107 LEU CB C 40.288 0.500 1 700 994 107 LEU N N 121.953 0.500 1 701 995 108 GLY H H 8.042 0.030 1 702 995 108 GLY HA2 H 3.966 0.030 2 703 995 108 GLY HA3 H 3.730 0.030 2 704 995 108 GLY C C 176.369 0.500 1 705 995 108 GLY CA C 47.189 0.500 1 706 995 108 GLY N N 106.091 0.500 1 707 996 109 GLU H H 7.995 0.030 1 708 996 109 GLU HA H 4.326 0.030 1 709 996 109 GLU HB2 H 2.193 0.030 2 710 996 109 GLU HB3 H 2.072 0.030 2 711 996 109 GLU C C 177.984 0.500 1 712 996 109 GLU CA C 58.477 0.500 1 713 996 109 GLU CB C 28.975 0.500 1 714 996 109 GLU N N 122.029 0.500 1 715 997 110 LEU H H 7.896 0.030 1 716 997 110 LEU HA H 3.905 0.030 1 717 997 110 LEU HB2 H 2.370 0.030 2 718 997 110 LEU HB3 H 2.370 0.030 2 719 997 110 LEU C C 177.826 0.500 1 720 997 110 LEU CA C 59.025 0.500 1 721 997 110 LEU CB C 41.470 0.500 1 722 997 110 LEU N N 120.874 0.500 1 723 998 111 ILE H H 8.525 0.030 1 724 998 111 ILE HA H 3.629 0.030 1 725 998 111 ILE HB H 1.371 0.030 1 726 998 111 ILE C C 177.826 0.500 1 727 998 111 ILE CA C 65.101 0.500 1 728 998 111 ILE CB C 37.281 0.500 1 729 998 111 ILE N N 118.492 0.500 1 730 999 112 ASN H H 8.265 0.030 1 731 999 112 ASN HA H 4.413 0.030 1 732 999 112 ASN HB2 H 3.007 0.030 2 733 999 112 ASN HB3 H 2.855 0.030 2 734 999 112 ASN C C 178.554 0.500 1 735 999 112 ASN CA C 56.161 0.500 1 736 999 112 ASN CB C 37.924 0.500 1 737 999 112 ASN N N 118.932 0.500 1 738 1000 113 LYS H H 8.488 0.030 1 739 1000 113 LYS HA H 4.117 0.030 1 740 1000 113 LYS HB2 H 1.994 0.030 2 741 1000 113 LYS HB3 H 1.994 0.030 2 742 1000 113 LYS C C 178.016 0.500 1 743 1000 113 LYS CA C 57.296 0.500 1 744 1000 113 LYS CB C 30.805 0.500 1 745 1000 113 LYS N N 117.260 0.500 1 746 1001 114 MET H H 8.500 0.030 1 747 1001 114 MET HA H 4.429 0.030 1 748 1001 114 MET C C 177.929 0.500 1 749 1001 114 MET CA C 59.642 0.500 1 750 1001 114 MET CB C 33.365 0.500 1 751 1001 114 MET N N 122.115 0.500 1 752 1002 115 LYS HA H 4.089 0.030 1 753 1002 115 LYS HB2 H 1.998 0.030 2 754 1002 115 LYS HB3 H 1.813 0.030 2 755 1002 115 LYS C C 180.164 0.500 1 756 1002 115 LYS CA C 59.493 0.500 1 757 1002 115 LYS CB C 31.803 0.500 1 758 1003 116 LEU H H 7.527 0.030 1 759 1003 116 LEU HA H 3.964 0.030 1 760 1003 116 LEU C C 178.174 0.500 1 761 1003 116 LEU CA C 57.765 0.500 1 762 1003 116 LEU CB C 40.457 0.500 1 763 1003 116 LEU N N 120.820 0.500 1 764 1004 117 ALA H H 8.355 0.030 1 765 1004 117 ALA HA H 3.988 0.030 1 766 1004 117 ALA HB H 1.553 0.030 1 767 1004 117 ALA C C 179.470 0.500 1 768 1004 117 ALA CA C 55.699 0.500 1 769 1004 117 ALA CB C 17.686 0.500 1 770 1004 117 ALA N N 121.583 0.500 1 771 1005 118 GLN H H 8.095 0.030 1 772 1005 118 GLN C C 178.364 0.500 1 773 1005 118 GLN CA C 58.428 0.500 1 774 1005 118 GLN CB C 29.460 0.500 1 775 1005 118 GLN N N 114.078 0.500 1 776 1006 119 GLN H H 7.965 0.030 1 777 1006 119 GLN HA H 3.964 0.030 1 778 1006 119 GLN HB2 H 2.012 0.030 2 779 1006 119 GLN HB3 H 1.823 0.030 2 780 1006 119 GLN C C 177.157 0.500 1 781 1006 119 GLN CA C 57.773 0.500 1 782 1006 119 GLN CB C 28.692 0.500 1 783 1006 119 GLN N N 119.486 0.500 1 784 1007 120 TYR H H 7.783 0.030 1 785 1007 120 TYR HA H 4.626 0.030 1 786 1007 120 TYR HB2 H 3.297 0.030 2 787 1007 120 TYR HB3 H 2.601 0.030 2 788 1007 120 TYR C C 175.958 0.500 1 789 1007 120 TYR CA C 58.168 0.500 1 790 1007 120 TYR CB C 37.113 0.500 1 791 1007 120 TYR N N 116.113 0.500 1 792 1008 121 VAL H H 7.222 0.030 1 793 1008 121 VAL HA H 4.047 0.030 1 794 1008 121 VAL HB H 2.381 0.030 1 795 1008 121 VAL C C 174.913 0.500 1 796 1008 121 VAL CA C 63.422 0.500 1 797 1008 121 VAL CB C 31.930 0.500 1 798 1008 121 VAL N N 120.550 0.500 1 799 1009 122 MET H H 8.505 0.030 1 800 1009 122 MET C C 178.254 0.500 1 801 1009 122 MET CA C 55.953 0.500 1 802 1009 122 MET CB C 30.367 0.500 1 803 1009 122 MET N N 118.099 0.500 1 804 1013 126 GLN H H 7.773 0.030 1 805 1013 126 GLN HA H 3.964 0.030 1 806 1013 126 GLN HB2 H 2.302 0.030 2 807 1013 126 GLN HB3 H 2.302 0.030 2 808 1013 126 GLN C C 178.047 0.500 1 809 1013 126 GLN CA C 60.241 0.500 1 810 1013 126 GLN CB C 27.946 0.500 1 811 1013 126 GLN N N 119.727 0.500 1 812 1014 127 GLN H H 8.207 0.030 1 813 1014 127 GLN HA H 4.025 0.030 1 814 1014 127 GLN HB2 H 2.192 0.030 2 815 1014 127 GLN HB3 H 2.192 0.030 2 816 1014 127 GLN C C 178.301 0.500 1 817 1014 127 GLN CA C 58.474 0.500 1 818 1014 127 GLN CB C 28.019 0.500 1 819 1014 127 GLN N N 115.966 0.500 1 820 1015 128 GLU H H 7.416 0.030 1 821 1015 128 GLU HA H 4.043 0.030 1 822 1015 128 GLU HB2 H 1.890 0.030 2 823 1015 128 GLU HB3 H 1.675 0.030 2 824 1015 128 GLU C C 178.879 0.500 1 825 1015 128 GLU CA C 58.271 0.500 1 826 1015 128 GLU CB C 28.215 0.500 1 827 1015 128 GLU N N 120.604 0.500 1 828 1016 129 TYR H H 7.867 0.030 1 829 1016 129 TYR HA H 4.006 0.030 1 830 1016 129 TYR HB2 H 3.199 0.030 2 831 1016 129 TYR HB3 H 2.615 0.030 2 832 1016 129 TYR C C 178.807 0.500 1 833 1016 129 TYR CA C 62.140 0.500 1 834 1016 129 TYR CB C 37.029 0.500 1 835 1016 129 TYR N N 117.422 0.500 1 836 1017 130 LYS H H 8.365 0.030 1 837 1017 130 LYS C C 178.498 0.500 1 838 1017 130 LYS CA C 60.408 0.500 1 839 1017 130 LYS CB C 32.824 0.500 1 840 1017 130 LYS N N 121.662 0.500 1 841 1018 131 LYS HA H 3.933 0.030 1 842 1018 131 LYS HB2 H 2.007 0.030 2 843 1018 131 LYS HB3 H 2.007 0.030 2 844 1018 131 LYS C C 179.514 0.500 1 845 1018 131 LYS CA C 59.903 0.500 1 846 1018 131 LYS CB C 31.215 0.500 1 847 1019 132 GLN H H 7.896 0.030 1 848 1019 132 GLN C C 179.852 0.500 1 849 1019 132 GLN CA C 59.031 0.500 1 850 1019 132 GLN CB C 27.708 0.500 1 851 1019 132 GLN N N 118.285 0.500 1 852 1020 133 MET H H 8.488 0.030 1 853 1020 133 MET C C 177.458 0.500 1 854 1020 133 MET CA C 59.622 0.500 1 855 1020 133 MET CB C 33.365 0.500 1 856 1020 133 MET N N 121.845 0.500 1 857 1021 134 LEU HB2 H 2.218 0.030 2 858 1021 134 LEU HB3 H 1.575 0.030 2 859 1021 134 LEU C C 179.748 0.500 1 860 1021 134 LEU CA C 58.807 0.500 1 861 1021 134 LEU CB C 40.963 0.500 1 862 1022 135 THR H H 8.308 0.030 1 863 1022 135 THR HA H 3.970 0.030 1 864 1022 135 THR C C 176.623 0.500 1 865 1022 135 THR CA C 66.582 0.500 1 866 1022 135 THR CB C 68.403 0.500 1 867 1022 135 THR N N 117.822 0.500 1 868 1023 136 ALA H H 7.826 0.030 1 869 1023 136 ALA HA H 4.274 0.030 1 870 1023 136 ALA HB H 1.509 0.030 1 871 1023 136 ALA C C 179.662 0.500 1 872 1023 136 ALA CA C 54.689 0.500 1 873 1023 136 ALA CB C 17.350 0.500 1 874 1023 136 ALA N N 124.865 0.500 1 875 1024 137 ALA H H 8.605 0.030 1 876 1024 137 ALA HA H 3.988 0.030 1 877 1024 137 ALA HB H 1.481 0.030 1 878 1024 137 ALA C C 178.111 0.500 1 879 1024 137 ALA CA C 55.231 0.500 1 880 1024 137 ALA CB C 17.830 0.500 1 881 1024 137 ALA N N 121.521 0.500 1 882 1025 138 HIS H H 8.325 0.030 1 883 1025 138 HIS HA H 4.172 0.030 1 884 1025 138 HIS HB2 H 3.285 0.030 2 885 1025 138 HIS HB3 H 3.285 0.030 2 886 1025 138 HIS C C 176.749 0.500 1 887 1025 138 HIS CA C 59.158 0.500 1 888 1025 138 HIS CB C 28.535 0.500 1 889 1025 138 HIS N N 117.098 0.500 1 890 1026 139 ALA H H 7.858 0.030 1 891 1026 139 ALA HA H 3.966 0.030 1 892 1026 139 ALA HB H 1.426 0.030 1 893 1026 139 ALA C C 178.427 0.500 1 894 1026 139 ALA CA C 54.729 0.500 1 895 1026 139 ALA CB C 17.323 0.500 1 896 1026 139 ALA N N 121.090 0.500 1 897 1027 140 LEU H H 7.527 0.030 1 898 1027 140 LEU HA H 4.274 0.030 1 899 1027 140 LEU HB2 H 1.934 0.030 2 900 1027 140 LEU HB3 H 1.690 0.030 2 901 1027 140 LEU C C 178.174 0.500 1 902 1027 140 LEU CA C 58.284 0.500 1 903 1027 140 LEU CB C 42.159 0.500 1 904 1027 140 LEU N N 117.098 0.500 1 905 1028 141 ALA H H 7.621 0.030 1 906 1028 141 ALA HA H 3.870 0.030 1 907 1028 141 ALA HB H 1.477 0.030 1 908 1028 141 ALA C C 179.789 0.500 1 909 1028 141 ALA CA C 55.316 0.500 1 910 1028 141 ALA CB C 17.830 0.500 1 911 1028 141 ALA N N 119.472 0.500 1 912 1029 142 VAL H H 8.095 0.030 1 913 1029 142 VAL HA H 3.454 0.030 1 914 1029 142 VAL HB H 1.974 0.030 1 915 1029 142 VAL C C 178.915 0.500 1 916 1029 142 VAL CA C 66.295 0.500 1 917 1029 142 VAL CB C 31.459 0.500 1 918 1029 142 VAL N N 119.634 0.500 1 919 1030 143 ASP H H 9.010 0.030 1 920 1030 143 ASP HA H 4.576 0.030 1 921 1030 143 ASP HB2 H 2.845 0.030 2 922 1030 143 ASP HB3 H 2.495 0.030 2 923 1030 143 ASP C C 179.757 0.500 1 924 1030 143 ASP CA C 56.617 0.500 1 925 1030 143 ASP CB C 37.924 0.500 1 926 1030 143 ASP N N 121.192 0.500 1 927 1031 144 ALA H H 8.646 0.030 1 928 1031 144 ALA HA H 4.061 0.030 1 929 1031 144 ALA HB H 1.435 0.030 1 930 1031 144 ALA C C 178.047 0.500 1 931 1031 144 ALA CA C 55.380 0.500 1 932 1031 144 ALA CB C 17.854 0.500 1 933 1031 144 ALA N N 127.238 0.500 1 934 1032 145 LYS H H 7.606 0.030 1 935 1032 145 LYS C C 178.559 0.500 1 936 1032 145 LYS CA C 59.108 0.500 1 937 1032 145 LYS CB C 31.058 0.500 1 938 1032 145 LYS N N 118.993 0.500 1 939 1033 146 ASN H H 8.301 0.030 1 940 1033 146 ASN HA H 4.516 0.030 1 941 1033 146 ASN HB2 H 2.891 0.030 2 942 1033 146 ASN C C 177.026 0.500 1 943 1033 146 ASN CA C 55.921 0.500 1 944 1033 146 ASN CB C 37.840 0.500 1 945 1033 146 ASN N N 118.555 0.500 1 946 1034 147 LEU H H 7.720 0.030 1 947 1034 147 LEU HA H 3.960 0.030 1 948 1034 147 LEU HB2 H 2.289 0.030 2 949 1034 147 LEU HB3 H 1.518 0.030 2 950 1034 147 LEU C C 177.224 0.500 1 951 1034 147 LEU CA C 57.849 0.500 1 952 1034 147 LEU CB C 40.372 0.500 1 953 1034 147 LEU N N 120.496 0.500 1 954 1035 148 LEU H H 7.720 0.030 1 955 1035 148 LEU HA H 3.850 0.030 1 956 1035 148 LEU HB2 H 2.307 0.030 2 957 1035 148 LEU HB3 H 2.307 0.030 2 958 1035 148 LEU C C 177.003 0.500 1 959 1035 148 LEU CA C 58.254 0.500 1 960 1035 148 LEU CB C 41.526 0.500 1 961 1035 148 LEU N N 119.633 0.500 1 962 1036 149 ASP H H 8.107 0.030 1 963 1036 149 ASP HA H 4.403 0.030 1 964 1036 149 ASP HB2 H 2.942 0.030 2 965 1036 149 ASP HB3 H 2.738 0.030 2 966 1036 149 ASP C C 178.997 0.500 1 967 1036 149 ASP CA C 57.837 0.500 1 968 1036 149 ASP CB C 40.288 0.500 1 969 1036 149 ASP N N 118.123 0.500 1 970 1037 150 VAL H H 8.150 0.030 1 971 1037 150 VAL HA H 3.763 0.030 1 972 1037 150 VAL HB H 2.219 0.030 1 973 1037 150 VAL C C 179.155 0.500 1 974 1037 150 VAL CA C 66.043 0.500 1 975 1037 150 VAL CB C 31.646 0.500 1 976 1037 150 VAL N N 119.430 0.500 1 977 1038 151 ILE H H 8.254 0.030 1 978 1038 151 ILE HA H 3.701 0.030 1 979 1038 151 ILE HB H 2.089 0.030 1 980 1038 151 ILE C C 177.604 0.500 1 981 1038 151 ILE CA C 65.194 0.500 1 982 1038 151 ILE CB C 36.692 0.500 1 983 1038 151 ILE N N 122.708 0.500 1 984 1039 152 ASP H H 9.488 0.030 1 985 1039 152 ASP HA H 4.367 0.030 1 986 1039 152 ASP HB2 H 2.965 0.030 2 987 1039 152 ASP HB3 H 2.449 0.030 2 988 1039 152 ASP C C 179.345 0.500 1 989 1039 152 ASP CA C 57.717 0.500 1 990 1039 152 ASP CB C 39.804 0.500 1 991 1039 152 ASP N N 122.725 0.500 1 992 1040 153 GLN H H 8.263 0.030 1 993 1040 153 GLN HA H 3.970 0.030 1 994 1040 153 GLN HB2 H 2.187 0.030 2 995 1040 153 GLN HB3 H 2.154 0.030 2 996 1040 153 GLN C C 178.807 0.500 1 997 1040 153 GLN CA C 58.391 0.500 1 998 1040 153 GLN CB C 28.030 0.500 1 999 1040 153 GLN N N 117.627 0.500 1 1000 1041 154 ALA H H 8.054 0.030 1 1001 1041 154 ALA HA H 4.117 0.030 1 1002 1041 154 ALA HB H 1.743 0.030 1 1003 1041 154 ALA C C 179.535 0.500 1 1004 1041 154 ALA CA C 55.110 0.500 1 1005 1041 154 ALA CB C 19.200 0.500 1 1006 1041 154 ALA N N 123.902 0.500 1 1007 1042 155 ARG H H 8.637 0.030 1 1008 1042 155 ARG HA H 3.914 0.030 1 1009 1042 155 ARG C C 179.535 0.500 1 1010 1042 155 ARG CA C 59.765 0.500 1 1011 1042 155 ARG CB C 30.477 0.500 1 1012 1042 155 ARG N N 117.646 0.500 1 1013 1043 156 LEU H H 8.127 0.030 1 1014 1043 156 LEU C C 177.826 0.500 1 1015 1043 156 LEU CA C 59.919 0.500 1 1016 1043 156 LEU N N 119.580 0.500 1 1017 1044 157 LYS HA H 4.108 0.030 1 1018 1044 157 LYS HB2 H 1.979 0.030 2 1019 1044 157 LYS HB3 H 1.979 0.030 2 1020 1044 157 LYS C C 178.559 0.500 1 1021 1044 157 LYS CA C 58.264 0.500 1 1022 1044 157 LYS CB C 31.888 0.500 1 1023 1045 158 MET H H 7.779 0.030 1 1024 1045 158 MET HA H 4.265 0.030 1 1025 1045 158 MET HB2 H 2.357 0.030 2 1026 1045 158 MET HB3 H 2.145 0.030 2 1027 1045 158 MET C C 177.192 0.500 1 1028 1045 158 MET CA C 57.174 0.500 1 1029 1045 158 MET CB C 33.027 0.500 1 1030 1045 158 MET N N 118.177 0.500 1 1031 1046 159 LEU H H 7.832 0.030 1 1032 1046 159 LEU HA H 4.272 0.030 1 1033 1046 159 LEU HB2 H 1.795 0.030 2 1034 1046 159 LEU HB3 H 1.611 0.030 2 1035 1046 159 LEU C C 178.301 0.500 1 1036 1046 159 LEU CA C 55.907 0.500 1 1037 1046 159 LEU CB C 42.145 0.500 1 1038 1046 159 LEU N N 119.849 0.500 1 1039 1047 160 GLY H H 8.037 0.030 1 1040 1047 160 GLY HA2 H 3.970 0.030 2 1041 1047 160 GLY HA3 H 3.914 0.030 2 1042 1047 160 GLY C C 174.438 0.500 1 1043 1047 160 GLY CA C 45.359 0.500 1 1044 1047 160 GLY N N 107.318 0.500 1 1045 1048 161 GLN H H 7.967 0.030 1 1046 1048 161 GLN HA H 4.427 0.030 1 1047 1048 161 GLN HB2 H 2.154 0.030 2 1048 1048 161 GLN HB3 H 1.988 0.030 2 1049 1048 161 GLN C C 176.053 0.500 1 1050 1048 161 GLN CA C 55.401 0.500 1 1051 1048 161 GLN CB C 29.596 0.500 1 1052 1048 161 GLN N N 119.040 0.500 1 1053 1049 162 THR H H 8.066 0.030 1 1054 1049 162 THR HA H 4.320 0.030 1 1055 1049 162 THR C C 174.090 0.500 1 1056 1049 162 THR CA C 61.585 0.500 1 1057 1049 162 THR CB C 69.789 0.500 1 1058 1049 162 THR N N 114.510 0.500 1 1059 1050 163 ARG H H 8.224 0.030 1 1060 1050 163 ARG HA H 4.326 0.030 1 1061 1050 163 ARG HB2 H 1.739 0.030 2 1062 1050 163 ARG HB3 H 1.739 0.030 2 1063 1050 163 ARG C C 173.995 0.500 1 1064 1050 163 ARG CA C 53.512 0.500 1 1065 1050 163 ARG CB C 30.324 0.500 1 1066 1050 163 ARG N N 124.164 0.500 1 1067 1051 164 PRO HA H 4.375 0.030 1 1068 1051 164 PRO HB2 H 2.228 0.030 2 1069 1051 164 PRO HB3 H 1.869 0.030 2 1070 1051 164 PRO C C 175.790 0.500 1 1071 1051 164 PRO CA C 63.099 0.500 1 1072 1051 164 PRO CB C 31.803 0.500 1 1073 1052 165 HIS H H 7.918 0.030 1 1074 1052 165 HIS C C 178.712 0.500 1 1075 1052 165 HIS CA C 56.540 0.500 1 1076 1052 165 HIS CB C 30.159 0.500 1 1077 1052 165 HIS N N 123.367 0.500 1 stop_ save_