data_18313 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the A domain of talin ; _BMRB_accession_number 18313 _BMRB_flat_file_name bmr18313.str _Entry_type original _Submission_date 2012-03-06 _Accession_date 2012-03-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goult Ben T. . 2 Gingras Alex R. . 3 Bate Neil . . 4 Roberts Gordon CK . 5 Barsukov Igor L. . 6 Critchley David R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 750 "13C chemical shifts" 552 "15N chemical shifts" 145 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-11 original author . stop_ _Original_release_date 2013-02-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'RIAM and vinculin binding to talin are mutually exclusive and regulate adhesion assembly and turnover' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goult Ben T. . 2 Bate Neil . . 3 Gingras Alex R. . 4 Roberts Gordon CK . 5 Barsukov Igor L. . 6 Critchley David R. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'A domain of talin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'A domain of talin' $Domain_A 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_Domain_A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Domain_A _Molecular_mass 13915.918 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 138 _Mol_residue_sequence ; GIDPFTLVQRLEHAAKQAAA SATQTIAAAQHAASAPKASA GPQPLLVQSCKAVAEQIPLL VQGVRGSQAQPDSPSAQLAL IAASQSFLQPGGKMVAAAKA SVPTIQDQASAMQLSQCAKN LGTALAELRTAAQKAQEA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 907 GLY 2 908 ILE 3 909 ASP 4 910 PRO 5 911 PHE 6 912 THR 7 913 LEU 8 914 VAL 9 915 GLN 10 916 ARG 11 917 LEU 12 918 GLU 13 919 HIS 14 920 ALA 15 921 ALA 16 922 LYS 17 923 GLN 18 924 ALA 19 925 ALA 20 926 ALA 21 927 SER 22 928 ALA 23 929 THR 24 930 GLN 25 931 THR 26 932 ILE 27 933 ALA 28 934 ALA 29 935 ALA 30 936 GLN 31 937 HIS 32 938 ALA 33 939 ALA 34 940 SER 35 941 ALA 36 942 PRO 37 943 LYS 38 944 ALA 39 945 SER 40 946 ALA 41 947 GLY 42 948 PRO 43 949 GLN 44 950 PRO 45 951 LEU 46 952 LEU 47 953 VAL 48 954 GLN 49 955 SER 50 956 CYS 51 957 LYS 52 958 ALA 53 959 VAL 54 960 ALA 55 961 GLU 56 962 GLN 57 963 ILE 58 964 PRO 59 965 LEU 60 966 LEU 61 967 VAL 62 968 GLN 63 969 GLY 64 970 VAL 65 971 ARG 66 972 GLY 67 973 SER 68 974 GLN 69 975 ALA 70 976 GLN 71 977 PRO 72 978 ASP 73 979 SER 74 980 PRO 75 981 SER 76 982 ALA 77 983 GLN 78 984 LEU 79 985 ALA 80 986 LEU 81 987 ILE 82 988 ALA 83 989 ALA 84 990 SER 85 991 GLN 86 992 SER 87 993 PHE 88 994 LEU 89 995 GLN 90 996 PRO 91 997 GLY 92 998 GLY 93 999 LYS 94 1000 MET 95 1001 VAL 96 1002 ALA 97 1003 ALA 98 1004 ALA 99 1005 LYS 100 1006 ALA 101 1007 SER 102 1008 VAL 103 1009 PRO 104 1010 THR 105 1011 ILE 106 1012 GLN 107 1013 ASP 108 1014 GLN 109 1015 ALA 110 1016 SER 111 1017 ALA 112 1018 MET 113 1019 GLN 114 1020 LEU 115 1021 SER 116 1022 GLN 117 1023 CYS 118 1024 ALA 119 1025 LYS 120 1026 ASN 121 1027 LEU 122 1028 GLY 123 1029 THR 124 1030 ALA 125 1031 LEU 126 1032 ALA 127 1033 GLU 128 1034 LEU 129 1035 ARG 130 1036 THR 131 1037 ALA 132 1038 ALA 133 1039 GLN 134 1040 LYS 135 1041 ALA 136 1042 GLN 137 1043 GLU 138 1044 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LQG "Solution Structure Of The R4 Domain Of Talin" 100.00 138 100.00 100.00 3.64e-86 DBJ BAA82979 "KIAA1027 protein [Homo sapiens]" 95.65 2550 99.24 99.24 2.10e-72 DBJ BAC65702 "mKIAA1027 protein [Mus musculus]" 95.65 2564 100.00 100.00 1.09e-72 DBJ BAE27781 "unnamed protein product [Mus musculus]" 95.65 2541 100.00 100.00 7.71e-73 DBJ BAG09941 "talin-1 [synthetic construct]" 95.65 2541 99.24 99.24 2.09e-72 EMBL CAA39588 "talin [Mus musculus]" 95.65 2541 100.00 100.00 8.83e-73 GB AAD13152 "talin [Homo sapiens]" 95.65 2541 99.24 99.24 2.35e-72 GB AAF23322 "talin [Homo sapiens]" 95.65 2541 99.24 99.24 2.28e-72 GB AAF27330 "talin [Homo sapiens]" 95.65 2540 99.24 99.24 2.09e-72 GB AAH42923 "Talin 1 [Homo sapiens]" 95.65 2541 99.24 99.24 2.03e-72 GB AAI00263 "Tln1 protein [Rattus norvegicus]" 95.65 1552 100.00 100.00 1.22e-72 PRF 1617167A talin 95.65 2541 100.00 100.00 8.83e-73 REF NP_001034114 "talin-1 [Rattus norvegicus]" 95.65 2541 100.00 100.00 1.06e-72 REF NP_001192357 "talin-1 [Bos taurus]" 95.65 2541 98.48 98.48 7.93e-72 REF NP_006280 "talin-1 [Homo sapiens]" 95.65 2541 99.24 99.24 2.09e-72 REF NP_035732 "talin-1 [Mus musculus]" 95.65 2541 100.00 100.00 7.71e-73 REF XP_001084941 "PREDICTED: talin-1 [Macaca mulatta]" 95.65 2428 98.48 98.48 7.77e-72 SP P26039 "RecName: Full=Talin-1" 95.65 2541 100.00 100.00 7.71e-73 SP Q9Y490 "RecName: Full=Talin-1" 95.65 2541 99.24 99.24 2.09e-72 TPG DAA26829 "TPA: talin 1 [Bos taurus]" 95.65 2541 98.48 98.48 8.01e-72 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Domain_A 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 $Domain_A 'recombinant technology' . Escherichia coli BL21(DE3)* pET151TOPO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Domain_A 0.8 mM '[U-100% 15N]' D2O 10 % '[U-100% 2H]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ save_double _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Domain_A 0.8 mM '[U-100% 13C; U-100% 15N]' D2O 10 % '[U-100% 2H]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'geometry optimization' 'structure solution' stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version 2.1.5 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' refinement stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'geometry optimization' refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_b600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_b800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model ARX _Field_strength 800 _Details 'with cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $double save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $double save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $double save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $double save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $double save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $double save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $double save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $double save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 0.5 mM pH 6.5 0.1 pH pressure 1 . atm temperature 298 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $15N $double stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'A domain of talin' _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 1 908 2 ILE HA H 4.118 0.02 1 2 908 2 ILE HB H 1.721 0.02 1 3 908 2 ILE HG12 H 1.356 0.02 1 4 908 2 ILE HG13 H 1.089 0.02 1 5 908 2 ILE HG2 H 0.799 0.02 1 6 908 2 ILE HD1 H 0.766 0.02 1 7 908 2 ILE C C 175.575 0.2 1 8 908 2 ILE CA C 60.841 0.2 1 9 908 2 ILE CB C 38.937 0.2 1 10 908 2 ILE CG1 C 27.164 0.2 1 11 908 2 ILE CG2 C 17.421 0.2 1 12 908 2 ILE CD1 C 12.991 0.2 1 13 909 3 ASP H H 8.348 0.02 1 14 909 3 ASP HA H 4.768 0.02 1 15 909 3 ASP HB2 H 2.684 0.02 1 16 909 3 ASP HB3 H 2.494 0.02 1 17 909 3 ASP CA C 52.193 0.2 1 18 909 3 ASP CB C 41.262 0.2 1 19 909 3 ASP N N 126.358 0.2 1 20 910 4 PRO HA H 4.219 0.02 1 21 910 4 PRO HB2 H 2.108 0.02 1 22 910 4 PRO HB3 H 1.692 0.02 1 23 910 4 PRO HG2 H 1.849 0.02 1 24 910 4 PRO HG3 H 1.709 0.02 1 25 910 4 PRO HD2 H 3.769 0.02 1 26 910 4 PRO HD3 H 3.690 0.02 1 27 910 4 PRO C C 177.066 0.2 1 28 910 4 PRO CA C 63.829 0.2 1 29 910 4 PRO CB C 31.919 0.2 1 30 910 4 PRO CG C 26.964 0.2 1 31 910 4 PRO CD C 50.734 0.2 1 32 911 5 PHE H H 8.110 0.02 1 33 911 5 PHE HA H 4.735 0.02 1 34 911 5 PHE HB2 H 3.137 0.02 1 35 911 5 PHE HB3 H 2.981 0.02 1 36 911 5 PHE HD1 H 7.170 0.02 3 37 911 5 PHE HD2 H 7.170 0.02 3 38 911 5 PHE C C 177.214 0.2 1 39 911 5 PHE CA C 57.698 0.2 1 40 911 5 PHE CB C 39.461 0.2 1 41 911 5 PHE CD1 C 131.633 0.2 3 42 911 5 PHE CD2 C 131.633 0.2 3 43 911 5 PHE N N 118.867 0.2 1 44 912 6 THR H H 8.250 0.02 1 45 912 6 THR HA H 4.197 0.02 1 46 912 6 THR HB H 4.507 0.02 1 47 912 6 THR HG2 H 1.229 0.02 1 48 912 6 THR C C 175.837 0.2 1 49 912 6 THR CA C 62.717 0.2 1 50 912 6 THR CB C 70.006 0.2 1 51 912 6 THR CG2 C 21.652 0.2 1 52 912 6 THR N N 113.985 0.2 1 53 913 7 LEU H H 8.213 0.02 1 54 913 7 LEU HA H 3.932 0.02 1 55 913 7 LEU HB2 H 1.902 0.02 1 56 913 7 LEU HB3 H 1.258 0.02 1 57 913 7 LEU HG H 1.715 0.02 1 58 913 7 LEU HD1 H 0.866 0.02 1 59 913 7 LEU HD2 H 0.785 0.02 1 60 913 7 LEU C C 180.737 0.2 1 61 913 7 LEU CA C 58.160 0.2 1 62 913 7 LEU CB C 41.606 0.2 1 63 913 7 LEU CG C 26.786 0.2 1 64 913 7 LEU CD1 C 25.820 0.2 1 65 913 7 LEU CD2 C 23.156 0.2 1 66 913 7 LEU N N 120.283 0.2 1 67 914 8 VAL H H 8.004 0.02 1 68 914 8 VAL HA H 3.466 0.02 1 69 914 8 VAL HB H 1.909 0.02 1 70 914 8 VAL HG1 H 0.904 0.02 1 71 914 8 VAL HG2 H 0.799 0.02 1 72 914 8 VAL C C 177.394 0.2 1 73 914 8 VAL CA C 66.690 0.2 1 74 914 8 VAL CB C 31.571 0.2 1 75 914 8 VAL CG1 C 23.115 0.2 1 76 914 8 VAL CG2 C 21.505 0.2 1 77 914 8 VAL N N 120.422 0.2 1 78 915 9 GLN H H 7.782 0.02 1 79 915 9 GLN HA H 3.847 0.02 1 80 915 9 GLN HB2 H 2.100 0.02 1 81 915 9 GLN HB3 H 1.737 0.02 1 82 915 9 GLN HG2 H 2.235 0.02 1 83 915 9 GLN HG3 H 2.235 0.02 1 84 915 9 GLN HE21 H 7.508 0.02 1 85 915 9 GLN HE22 H 6.765 0.02 1 86 915 9 GLN C C 179.377 0.2 1 87 915 9 GLN CA C 58.974 0.2 1 88 915 9 GLN CB C 28.223 0.2 1 89 915 9 GLN CG C 34.534 0.2 1 90 915 9 GLN N N 120.537 0.2 1 91 915 9 GLN NE2 N 111.626 0.2 1 92 916 10 ARG H H 8.256 0.02 1 93 916 10 ARG HA H 3.893 0.02 1 94 916 10 ARG HB2 H 1.851 0.02 1 95 916 10 ARG HB3 H 1.851 0.02 1 96 916 10 ARG HG2 H 1.728 0.02 1 97 916 10 ARG HG3 H 1.544 0.02 1 98 916 10 ARG HD2 H 3.133 0.02 1 99 916 10 ARG HD3 H 3.054 0.02 1 100 916 10 ARG C C 179.131 0.2 1 101 916 10 ARG CA C 59.390 0.2 1 102 916 10 ARG CB C 29.630 0.2 1 103 916 10 ARG CG C 27.644 0.2 1 104 916 10 ARG CD C 43.501 0.2 1 105 916 10 ARG N N 118.778 0.2 1 106 917 11 LEU H H 7.584 0.02 1 107 917 11 LEU HA H 4.038 0.02 1 108 917 11 LEU HB2 H 2.169 0.02 1 109 917 11 LEU HB3 H 1.115 0.02 1 110 917 11 LEU HG H 1.304 0.02 1 111 917 11 LEU HD1 H 0.701 0.02 1 112 917 11 LEU HD2 H 0.857 0.02 1 113 917 11 LEU C C 177.148 0.2 1 114 917 11 LEU CA C 57.958 0.2 1 115 917 11 LEU CB C 40.937 0.2 1 116 917 11 LEU CG C 26.773 0.2 1 117 917 11 LEU CD1 C 27.697 0.2 1 118 917 11 LEU CD2 C 23.103 0.2 1 119 917 11 LEU N N 122.166 0.2 1 120 918 12 GLU H H 8.743 0.02 1 121 918 12 GLU HA H 3.647 0.02 1 122 918 12 GLU HB2 H 2.343 0.02 1 123 918 12 GLU HB3 H 1.708 0.02 1 124 918 12 GLU HG2 H 1.935 0.02 1 125 918 12 GLU HG3 H 2.437 0.02 1 126 918 12 GLU C C 178.721 0.2 1 127 918 12 GLU CA C 59.914 0.2 1 128 918 12 GLU CB C 29.794 0.2 1 129 918 12 GLU CG C 36.573 0.2 1 130 918 12 GLU N N 119.822 0.2 1 131 919 13 HIS H H 8.053 0.02 1 132 919 13 HIS HA H 4.125 0.02 1 133 919 13 HIS HB2 H 3.089 0.02 1 134 919 13 HIS HB3 H 3.089 0.02 1 135 919 13 HIS HD2 H 6.922 0.02 1 136 919 13 HIS HE1 H 7.487 0.02 1 137 919 13 HIS C C 177.804 0.2 1 138 919 13 HIS CA C 59.814 0.2 1 139 919 13 HIS CB C 30.373 0.2 1 140 919 13 HIS CD2 C 119.814 0.2 1 141 919 13 HIS CE1 C 138.499 0.2 1 142 919 13 HIS N N 116.634 0.2 1 143 920 14 ALA H H 8.369 0.02 1 144 920 14 ALA HA H 4.020 0.02 1 145 920 14 ALA HB H 1.416 0.02 1 146 920 14 ALA C C 181.016 0.2 1 147 920 14 ALA CA C 54.475 0.2 1 148 920 14 ALA CB C 18.359 0.2 1 149 920 14 ALA N N 121.331 0.2 1 150 921 15 ALA H H 9.024 0.02 1 151 921 15 ALA HA H 3.817 0.02 1 152 921 15 ALA HB H 1.171 0.02 1 153 921 15 ALA C C 178.542 0.2 1 154 921 15 ALA CA C 55.534 0.2 1 155 921 15 ALA CB C 18.147 0.2 1 156 921 15 ALA N N 124.117 0.2 1 157 922 16 LYS H H 8.141 0.02 1 158 922 16 LYS HA H 3.691 0.02 1 159 922 16 LYS HB2 H 1.825 0.02 1 160 922 16 LYS HB3 H 1.825 0.02 1 161 922 16 LYS HG2 H 1.316 0.02 1 162 922 16 LYS HG3 H 1.642 0.02 1 163 922 16 LYS HD2 H 1.584 0.02 1 164 922 16 LYS HD3 H 1.584 0.02 1 165 922 16 LYS HE2 H 2.822 0.02 1 166 922 16 LYS HE3 H 2.822 0.02 1 167 922 16 LYS C C 179.916 0.2 1 168 922 16 LYS CA C 60.331 0.2 1 169 922 16 LYS CB C 32.004 0.2 1 170 922 16 LYS CG C 25.564 0.2 1 171 922 16 LYS CD C 29.228 0.2 1 172 922 16 LYS CE C 41.589 0.2 1 173 922 16 LYS N N 118.822 0.2 1 174 923 17 GLN H H 8.124 0.02 1 175 923 17 GLN HA H 4.060 0.02 1 176 923 17 GLN HB2 H 1.973 0.02 1 177 923 17 GLN HB3 H 1.973 0.02 1 178 923 17 GLN HG2 H 2.204 0.02 1 179 923 17 GLN HG3 H 2.134 0.02 1 180 923 17 GLN HE21 H 7.436 0.02 1 181 923 17 GLN HE22 H 6.848 0.02 1 182 923 17 GLN C C 178.754 0.2 1 183 923 17 GLN CA C 58.081 0.2 1 184 923 17 GLN CB C 28.486 0.2 1 185 923 17 GLN CG C 33.707 0.2 1 186 923 17 GLN N N 118.155 0.2 1 187 923 17 GLN NE2 N 112.301 0.2 1 188 924 18 ALA H H 8.222 0.02 1 189 924 18 ALA HA H 3.843 0.02 1 190 924 18 ALA HB H 1.275 0.02 1 191 924 18 ALA C C 178.326 0.2 1 192 924 18 ALA CA C 55.448 0.2 1 193 924 18 ALA CB C 18.115 0.2 1 194 924 18 ALA N N 122.958 0.2 1 195 925 19 ALA H H 8.117 0.02 1 196 925 19 ALA HA H 3.722 0.02 1 197 925 19 ALA HB H 1.232 0.02 1 198 925 19 ALA C C 179.606 0.2 1 199 925 19 ALA CA C 55.707 0.2 1 200 925 19 ALA CB C 17.507 0.2 1 201 925 19 ALA N N 119.951 0.2 1 202 926 20 ALA H H 7.904 0.02 1 203 926 20 ALA HA H 4.097 0.02 1 204 926 20 ALA HB H 1.422 0.02 1 205 926 20 ALA C C 180.606 0.2 1 206 926 20 ALA CA C 55.309 0.2 1 207 926 20 ALA CB C 17.920 0.2 1 208 926 20 ALA N N 121.526 0.2 1 209 927 21 SER H H 8.501 0.02 1 210 927 21 SER HA H 4.218 0.02 1 211 927 21 SER HB2 H 3.877 0.02 1 212 927 21 SER HB3 H 3.759 0.02 1 213 927 21 SER C C 178.967 0.2 1 214 927 21 SER CA C 61.797 0.2 1 215 927 21 SER CB C 63.103 0.2 1 216 927 21 SER N N 114.377 0.2 1 217 928 22 ALA H H 8.951 0.02 1 218 928 22 ALA HA H 4.047 0.02 1 219 928 22 ALA HB H 1.649 0.02 1 220 928 22 ALA C C 178.550 0.2 1 221 928 22 ALA CA C 56.097 0.2 1 222 928 22 ALA CB C 18.623 0.2 1 223 928 22 ALA N N 126.581 0.2 1 224 929 23 THR H H 8.343 0.02 1 225 929 23 THR HA H 3.722 0.02 1 226 929 23 THR HB H 4.427 0.02 1 227 929 23 THR HG2 H 1.227 0.02 1 228 929 23 THR C C 177.048 0.2 1 229 929 23 THR CA C 67.939 0.2 1 230 929 23 THR CB C 68.771 0.2 1 231 929 23 THR CG2 C 21.236 0.2 1 232 929 23 THR N N 117.347 0.2 1 233 930 24 GLN H H 7.881 0.02 1 234 930 24 GLN HA H 4.113 0.02 1 235 930 24 GLN HB2 H 2.172 0.02 1 236 930 24 GLN HB3 H 2.216 0.02 1 237 930 24 GLN HG2 H 2.506 0.02 1 238 930 24 GLN HG3 H 2.443 0.02 1 239 930 24 GLN HE21 H 7.324 0.02 1 240 930 24 GLN HE22 H 6.771 0.02 1 241 930 24 GLN C C 178.803 0.2 1 242 930 24 GLN CA C 58.900 0.2 1 243 930 24 GLN CB C 28.579 0.2 1 244 930 24 GLN CG C 34.025 0.2 1 245 930 24 GLN N N 120.097 0.2 1 246 930 24 GLN NE2 N 111.454 0.2 1 247 931 25 THR H H 8.043 0.02 1 248 931 25 THR HA H 3.805 0.02 1 249 931 25 THR HB H 4.235 0.02 1 250 931 25 THR HG1 H 3.974 0.02 1 251 931 25 THR HG2 H 0.961 0.02 1 252 931 25 THR C C 175.469 0.2 1 253 931 25 THR CA C 68.067 0.2 1 254 931 25 THR CB C 67.322 0.2 1 255 931 25 THR CG2 C 20.571 0.2 1 256 931 25 THR N N 118.085 0.2 1 257 932 26 ILE H H 8.380 0.02 1 258 932 26 ILE HA H 3.698 0.02 1 259 932 26 ILE HB H 1.843 0.02 1 260 932 26 ILE HG12 H 0.932 0.02 1 261 932 26 ILE HG13 H 1.807 0.02 1 262 932 26 ILE HG2 H 0.851 0.02 1 263 932 26 ILE HD1 H 0.828 0.02 1 264 932 26 ILE C C 177.845 0.2 1 265 932 26 ILE CA C 66.125 0.2 1 266 932 26 ILE CB C 38.087 0.2 1 267 932 26 ILE CG1 C 29.877 0.2 1 268 932 26 ILE CG2 C 17.066 0.2 1 269 932 26 ILE CD1 C 14.154 0.2 1 270 932 26 ILE N N 122.572 0.2 1 271 933 27 ALA H H 7.553 0.02 1 272 933 27 ALA HA H 4.115 0.02 1 273 933 27 ALA HB H 1.435 0.02 1 274 933 27 ALA C C 180.688 0.2 1 275 933 27 ALA CA C 55.238 0.2 1 276 933 27 ALA CB C 17.609 0.2 1 277 933 27 ALA N N 121.004 0.2 1 278 934 28 ALA H H 7.982 0.02 1 279 934 28 ALA HA H 4.145 0.02 1 280 934 28 ALA HB H 1.519 0.02 1 281 934 28 ALA C C 180.494 0.2 1 282 934 28 ALA CA C 54.735 0.2 1 283 934 28 ALA CB C 18.750 0.2 1 284 934 28 ALA N N 120.826 0.2 1 285 935 29 ALA H H 8.781 0.02 1 286 935 29 ALA HA H 3.896 0.02 1 287 935 29 ALA HB H 1.346 0.02 1 288 935 29 ALA C C 178.971 0.2 1 289 935 29 ALA CA C 55.182 0.2 1 290 935 29 ALA CB C 18.905 0.2 1 291 935 29 ALA N N 123.131 0.2 1 292 936 30 GLN H H 8.453 0.02 1 293 936 30 GLN HA H 3.946 0.02 1 294 936 30 GLN HB2 H 2.133 0.02 1 295 936 30 GLN HB3 H 2.003 0.02 1 296 936 30 GLN HG2 H 2.540 0.02 1 297 936 30 GLN HG3 H 2.348 0.02 1 298 936 30 GLN HE21 H 7.200 0.02 1 299 936 30 GLN HE22 H 6.681 0.02 1 300 936 30 GLN C C 178.809 0.2 1 301 936 30 GLN CA C 58.557 0.2 1 302 936 30 GLN CB C 27.893 0.2 1 303 936 30 GLN CG C 34.169 0.2 1 304 936 30 GLN N N 117.682 0.2 1 305 936 30 GLN NE2 N 110.625 0.2 1 306 937 31 HIS H H 7.922 0.02 1 307 937 31 HIS HA H 4.339 0.02 1 308 937 31 HIS HB2 H 3.168 0.02 1 309 937 31 HIS HB3 H 3.168 0.02 1 310 937 31 HIS HD2 H 7.123 0.02 1 311 937 31 HIS HE1 H 7.974 0.02 1 312 937 31 HIS C C 177.266 0.2 1 313 937 31 HIS CA C 58.743 0.2 1 314 937 31 HIS CB C 29.815 0.2 1 315 937 31 HIS CD2 C 120.509 0.2 1 316 937 31 HIS CE1 C 138.488 0.2 1 317 937 31 HIS N N 118.048 0.2 1 318 938 32 ALA H H 7.803 0.02 1 319 938 32 ALA HA H 4.046 0.02 1 320 938 32 ALA HB H 1.363 0.02 1 321 938 32 ALA C C 177.934 0.2 1 322 938 32 ALA CA C 53.824 0.2 1 323 938 32 ALA CB C 18.680 0.2 1 324 938 32 ALA N N 120.319 0.2 1 325 939 33 ALA H H 7.814 0.02 1 326 939 33 ALA HA H 4.175 0.02 1 327 939 33 ALA HB H 1.324 0.02 1 328 939 33 ALA C C 177.439 0.2 1 329 939 33 ALA CA C 52.993 0.2 1 330 939 33 ALA CB C 18.720 0.2 1 331 939 33 ALA N N 118.941 0.2 1 332 940 34 SER H H 7.622 0.02 1 333 940 34 SER HA H 4.375 0.02 1 334 940 34 SER HB2 H 3.840 0.02 1 335 940 34 SER HB3 H 3.876 0.02 1 336 940 34 SER C C 173.853 0.2 1 337 940 34 SER CA C 58.486 0.2 1 338 940 34 SER CB C 63.995 0.2 1 339 940 34 SER N N 112.948 0.2 1 340 941 35 ALA H H 7.739 0.02 1 341 941 35 ALA HA H 4.512 0.02 1 342 941 35 ALA HB H 1.278 0.02 1 343 941 35 ALA CA C 50.934 0.2 1 344 941 35 ALA CB C 18.145 0.2 1 345 941 35 ALA N N 126.359 0.2 1 346 942 36 PRO HA H 4.351 0.02 1 347 942 36 PRO HB2 H 2.240 0.02 1 348 942 36 PRO HB3 H 1.856 0.02 1 349 942 36 PRO HG2 H 1.995 0.02 1 350 942 36 PRO HG3 H 1.946 0.02 1 351 942 36 PRO HD2 H 3.751 0.02 1 352 942 36 PRO HD3 H 3.562 0.02 1 353 942 36 PRO C C 177.219 0.2 1 354 942 36 PRO CA C 63.730 0.2 1 355 942 36 PRO CB C 31.876 0.2 1 356 942 36 PRO CG C 27.574 0.2 1 357 942 36 PRO CD C 50.415 0.2 1 358 943 37 LYS H H 8.342 0.02 1 359 943 37 LYS HA H 4.251 0.02 1 360 943 37 LYS HB2 H 1.834 0.02 1 361 943 37 LYS HB3 H 1.733 0.02 1 362 943 37 LYS HG2 H 1.371 0.02 1 363 943 37 LYS HG3 H 1.371 0.02 1 364 943 37 LYS HD2 H 1.613 0.02 1 365 943 37 LYS HD3 H 1.613 0.02 1 366 943 37 LYS HE2 H 2.930 0.02 1 367 943 37 LYS HE3 H 2.930 0.02 1 368 943 37 LYS C C 176.546 0.2 1 369 943 37 LYS CA C 56.408 0.2 1 370 943 37 LYS CB C 32.667 0.2 1 371 943 37 LYS CG C 24.777 0.2 1 372 943 37 LYS CD C 29.017 0.2 1 373 943 37 LYS CE C 42.150 0.2 1 374 943 37 LYS N N 119.317 0.2 1 375 944 38 ALA H H 8.187 0.02 1 376 944 38 ALA HA H 4.253 0.02 1 377 944 38 ALA HB H 1.374 0.02 1 378 944 38 ALA C C 177.637 0.2 1 379 944 38 ALA CA C 53.025 0.2 1 380 944 38 ALA CB C 19.195 0.2 1 381 944 38 ALA N N 123.514 0.2 1 382 945 39 SER H H 8.051 0.02 1 383 945 39 SER HA H 4.354 0.02 1 384 945 39 SER HB2 H 3.801 0.02 1 385 945 39 SER HB3 H 3.858 0.02 1 386 945 39 SER C C 174.016 0.2 1 387 945 39 SER CA C 58.370 0.2 1 388 945 39 SER CB C 63.831 0.2 1 389 945 39 SER N N 113.249 0.2 1 390 946 40 ALA H H 8.128 0.02 1 391 946 40 ALA HA H 4.395 0.02 1 392 946 40 ALA HB H 1.372 0.02 1 393 946 40 ALA C C 177.511 0.2 1 394 946 40 ALA CA C 52.331 0.2 1 395 946 40 ALA CB C 19.854 0.2 1 396 946 40 ALA N N 124.694 0.2 1 397 947 41 GLY H H 8.093 0.02 1 398 947 41 GLY HA2 H 4.095 0.02 1 399 947 41 GLY HA3 H 4.024 0.02 1 400 947 41 GLY CA C 44.819 0.2 1 401 947 41 GLY N N 107.556 0.2 1 402 948 42 PRO HA H 4.401 0.02 1 403 948 42 PRO HB2 H 2.170 0.02 1 404 948 42 PRO HB3 H 1.858 0.02 1 405 948 42 PRO HG2 H 1.909 0.02 1 406 948 42 PRO HG3 H 1.909 0.02 1 407 948 42 PRO HD2 H 3.628 0.02 1 408 948 42 PRO HD3 H 3.546 0.02 1 409 948 42 PRO C C 177.096 0.2 1 410 948 42 PRO CA C 63.321 0.2 1 411 948 42 PRO CB C 32.191 0.2 1 412 948 42 PRO CG C 27.233 0.2 1 413 948 42 PRO CD C 49.778 0.2 1 414 949 43 GLN H H 8.588 0.02 1 415 949 43 GLN HA H 4.428 0.02 1 416 949 43 GLN HB2 H 1.924 0.02 1 417 949 43 GLN HB3 H 1.924 0.02 1 418 949 43 GLN HG2 H 2.310 0.02 1 419 949 43 GLN HG3 H 2.310 0.02 1 420 949 43 GLN HE21 H 7.374 0.02 1 421 949 43 GLN HE22 H 6.748 0.02 1 422 949 43 GLN CA C 55.943 0.2 1 423 949 43 GLN CB C 27.489 0.2 1 424 949 43 GLN CG C 33.361 0.2 1 425 949 43 GLN N N 120.179 0.2 1 426 949 43 GLN NE2 N 111.557 0.2 1 427 950 44 PRO HA H 4.247 0.02 1 428 950 44 PRO HB2 H 2.268 0.02 1 429 950 44 PRO HB3 H 1.824 0.02 1 430 950 44 PRO HG2 H 1.988 0.02 1 431 950 44 PRO HG3 H 1.924 0.02 1 432 950 44 PRO HD2 H 3.566 0.02 1 433 950 44 PRO HD3 H 3.664 0.02 1 434 950 44 PRO C C 178.666 0.2 1 435 950 44 PRO CA C 65.074 0.2 1 436 950 44 PRO CB C 31.510 0.2 1 437 950 44 PRO CG C 27.816 0.2 1 438 950 44 PRO CD C 50.341 0.2 1 439 951 45 LEU H H 7.922 0.02 1 440 951 45 LEU HA H 4.086 0.02 1 441 951 45 LEU HB2 H 1.668 0.02 1 442 951 45 LEU HB3 H 1.533 0.02 1 443 951 45 LEU HG H 1.527 0.02 1 444 951 45 LEU HD1 H 0.841 0.02 1 445 951 45 LEU HD2 H 0.802 0.02 1 446 951 45 LEU C C 180.010 0.2 1 447 951 45 LEU CA C 57.490 0.2 1 448 951 45 LEU CB C 41.137 0.2 1 449 951 45 LEU CG C 27.185 0.2 1 450 951 45 LEU CD1 C 24.171 0.2 1 451 951 45 LEU CD2 C 23.870 0.2 1 452 951 45 LEU N N 118.993 0.2 1 453 952 46 LEU H H 8.002 0.02 1 454 952 46 LEU HA H 3.907 0.02 1 455 952 46 LEU HB2 H 2.009 0.02 1 456 952 46 LEU HB3 H 1.413 0.02 1 457 952 46 LEU HG H 1.407 0.02 1 458 952 46 LEU HD1 H 0.832 0.02 1 459 952 46 LEU HD2 H 0.705 0.02 1 460 952 46 LEU C C 178.766 0.2 1 461 952 46 LEU CA C 58.050 0.2 1 462 952 46 LEU CB C 41.451 0.2 1 463 952 46 LEU CG C 26.865 0.2 1 464 952 46 LEU CD1 C 25.611 0.2 1 465 952 46 LEU CD2 C 22.679 0.2 1 466 952 46 LEU N N 121.952 0.2 1 467 953 47 VAL H H 7.922 0.02 1 468 953 47 VAL HA H 3.552 0.02 1 469 953 47 VAL HB H 2.052 0.02 1 470 953 47 VAL HG1 H 0.885 0.02 1 471 953 47 VAL HG2 H 0.962 0.02 1 472 953 47 VAL C C 179.009 0.2 1 473 953 47 VAL CA C 67.059 0.2 1 474 953 47 VAL CB C 31.811 0.2 1 475 953 47 VAL CG1 C 20.941 0.2 1 476 953 47 VAL CG2 C 22.399 0.2 1 477 953 47 VAL N N 119.866 0.2 1 478 954 48 GLN H H 8.193 0.02 1 479 954 48 GLN HA H 3.957 0.02 1 480 954 48 GLN HB2 H 2.061 0.02 1 481 954 48 GLN HB3 H 2.061 0.02 1 482 954 48 GLN HG2 H 2.396 0.02 1 483 954 48 GLN HG3 H 2.353 0.02 1 484 954 48 GLN HE21 H 7.449 0.02 1 485 954 48 GLN HE22 H 6.799 0.02 1 486 954 48 GLN C C 179.366 0.2 1 487 954 48 GLN CA C 59.065 0.2 1 488 954 48 GLN CB C 28.389 0.2 1 489 954 48 GLN CG C 33.715 0.2 1 490 954 48 GLN N N 118.866 0.2 1 491 954 48 GLN NE2 N 111.971 0.2 1 492 955 49 SER H H 8.172 0.02 1 493 955 49 SER HA H 4.199 0.02 1 494 955 49 SER HB2 H 3.788 0.02 1 495 955 49 SER HB3 H 3.788 0.02 1 496 955 49 SER C C 176.831 0.2 1 497 955 49 SER CA C 62.281 0.2 1 498 955 49 SER CB C 62.717 0.2 1 499 955 49 SER N N 116.319 0.2 1 500 956 50 CYS H H 8.027 0.02 1 501 956 50 CYS HA H 4.235 0.02 1 502 956 50 CYS HB2 H 3.236 0.02 1 503 956 50 CYS HB3 H 2.709 0.02 1 504 956 50 CYS C C 176.403 0.2 1 505 956 50 CYS CA C 63.385 0.2 1 506 956 50 CYS CB C 27.001 0.2 1 507 956 50 CYS N N 120.993 0.2 1 508 957 51 LYS H H 7.589 0.02 1 509 957 51 LYS HA H 3.934 0.02 1 510 957 51 LYS HB2 H 1.852 0.02 1 511 957 51 LYS HB3 H 1.852 0.02 1 512 957 51 LYS HG2 H 1.495 0.02 1 513 957 51 LYS HG3 H 1.495 0.02 1 514 957 51 LYS HD2 H 1.583 0.02 1 515 957 51 LYS HD3 H 1.583 0.02 1 516 957 51 LYS HE2 H 2.893 0.02 1 517 957 51 LYS HE3 H 2.893 0.02 1 518 957 51 LYS C C 178.435 0.2 1 519 957 51 LYS CA C 59.701 0.2 1 520 957 51 LYS CB C 32.214 0.2 1 521 957 51 LYS CG C 24.984 0.2 1 522 957 51 LYS CD C 29.308 0.2 1 523 957 51 LYS CE C 42.042 0.2 1 524 957 51 LYS N N 120.100 0.2 1 525 958 52 ALA H H 7.563 0.02 1 526 958 52 ALA HA H 4.153 0.02 1 527 958 52 ALA HB H 1.445 0.02 1 528 958 52 ALA C C 180.845 0.2 1 529 958 52 ALA CA C 54.728 0.2 1 530 958 52 ALA CB C 18.420 0.2 1 531 958 52 ALA N N 119.394 0.2 1 532 959 53 VAL H H 7.544 0.02 1 533 959 53 VAL HA H 3.393 0.02 1 534 959 53 VAL HB H 2.059 0.02 1 535 959 53 VAL HG1 H 0.850 0.02 1 536 959 53 VAL HG2 H 0.751 0.02 1 537 959 53 VAL C C 177.715 0.2 1 538 959 53 VAL CA C 66.185 0.2 1 539 959 53 VAL CB C 31.374 0.2 1 540 959 53 VAL CG1 C 22.565 0.2 1 541 959 53 VAL CG2 C 24.924 0.2 1 542 959 53 VAL N N 116.817 0.2 1 543 960 54 ALA H H 8.668 0.02 1 544 960 54 ALA HA H 3.927 0.02 1 545 960 54 ALA HB H 1.501 0.02 1 546 960 54 ALA C C 180.479 0.2 1 547 960 54 ALA CA C 55.543 0.2 1 548 960 54 ALA CB C 17.995 0.2 1 549 960 54 ALA N N 123.212 0.2 1 550 961 55 GLU H H 7.457 0.02 1 551 961 55 GLU HA H 4.069 0.02 1 552 961 55 GLU HB2 H 2.075 0.02 1 553 961 55 GLU HB3 H 2.075 0.02 1 554 961 55 GLU HG2 H 2.438 0.02 1 555 961 55 GLU HG3 H 2.261 0.02 1 556 961 55 GLU C C 177.640 0.2 1 557 961 55 GLU CA C 58.220 0.2 1 558 961 55 GLU CB C 29.938 0.2 1 559 961 55 GLU CG C 36.397 0.2 1 560 961 55 GLU N N 113.789 0.2 1 561 962 56 GLN H H 7.461 0.02 1 562 962 56 GLN HA H 4.368 0.02 1 563 962 56 GLN HB2 H 2.720 0.02 1 564 962 56 GLN HB3 H 2.084 0.02 1 565 962 56 GLN HG2 H 2.479 0.02 1 566 962 56 GLN HG3 H 2.399 0.02 1 567 962 56 GLN HE21 H 7.612 0.02 1 568 962 56 GLN HE22 H 6.607 0.02 1 569 962 56 GLN C C 177.639 0.2 1 570 962 56 GLN CA C 56.919 0.2 1 571 962 56 GLN CB C 29.965 0.2 1 572 962 56 GLN CG C 34.000 0.2 1 573 962 56 GLN N N 115.439 0.2 1 574 962 56 GLN NE2 N 111.161 0.2 1 575 963 57 ILE H H 7.919 0.02 1 576 963 57 ILE HA H 3.693 0.02 1 577 963 57 ILE HB H 1.989 0.02 1 578 963 57 ILE HG12 H 0.922 0.02 1 579 963 57 ILE HG13 H 2.199 0.02 1 580 963 57 ILE HG2 H 0.848 0.02 1 581 963 57 ILE HD1 H 0.936 0.02 1 582 963 57 ILE CA C 68.452 0.2 1 583 963 57 ILE CB C 36.587 0.2 1 584 963 57 ILE CG1 C 30.456 0.2 1 585 963 57 ILE CG2 C 17.513 0.2 1 586 963 57 ILE CD1 C 14.543 0.2 1 587 963 57 ILE N N 120.514 0.2 1 588 964 58 PRO HA H 4.243 0.02 1 589 964 58 PRO HB2 H 1.734 0.02 1 590 964 58 PRO HB3 H 2.275 0.02 1 591 964 58 PRO HG2 H 1.987 0.02 1 592 964 58 PRO HG3 H 1.929 0.02 1 593 964 58 PRO HD2 H 3.683 0.02 1 594 964 58 PRO HD3 H 3.651 0.02 1 595 964 58 PRO C C 179.307 0.2 1 596 964 58 PRO CA C 65.574 0.2 1 597 964 58 PRO CB C 31.102 0.2 1 598 964 58 PRO CG C 28.203 0.2 1 599 964 58 PRO CD C 50.309 0.2 1 600 965 59 LEU H H 6.856 0.02 1 601 965 59 LEU HA H 4.038 0.02 1 602 965 59 LEU HB2 H 1.550 0.02 1 603 965 59 LEU HB3 H 2.070 0.02 1 604 965 59 LEU HG H 1.725 0.02 1 605 965 59 LEU HD1 H 0.939 0.02 1 606 965 59 LEU HD2 H 0.836 0.02 1 607 965 59 LEU C C 180.071 0.2 1 608 965 59 LEU CA C 57.250 0.2 1 609 965 59 LEU CB C 40.684 0.2 1 610 965 59 LEU CG C 27.172 0.2 1 611 965 59 LEU CD1 C 25.122 0.2 1 612 965 59 LEU CD2 C 22.769 0.2 1 613 965 59 LEU N N 116.980 0.2 1 614 966 60 LEU H H 7.931 0.02 1 615 966 60 LEU HA H 3.897 0.02 1 616 966 60 LEU HB2 H 1.329 0.02 1 617 966 60 LEU HB3 H 1.590 0.02 1 618 966 60 LEU HG H 1.105 0.02 1 619 966 60 LEU HD1 H -0.046 0.02 1 620 966 60 LEU HD2 H 0.491 0.02 1 621 966 60 LEU C C 178.553 0.2 1 622 966 60 LEU CA C 58.089 0.2 1 623 966 60 LEU CB C 42.132 0.2 1 624 966 60 LEU CG C 26.158 0.2 1 625 966 60 LEU CD1 C 24.665 0.2 1 626 966 60 LEU CD2 C 23.916 0.2 1 627 966 60 LEU N N 123.501 0.2 1 628 967 61 VAL H H 8.217 0.02 1 629 967 61 VAL HA H 3.278 0.02 1 630 967 61 VAL HB H 1.934 0.02 1 631 967 61 VAL HG1 H 0.794 0.02 1 632 967 61 VAL HG2 H 0.847 0.02 1 633 967 61 VAL C C 178.831 0.2 1 634 967 61 VAL CA C 67.073 0.2 1 635 967 61 VAL CB C 31.570 0.2 1 636 967 61 VAL CG1 C 20.891 0.2 1 637 967 61 VAL CG2 C 22.461 0.2 1 638 967 61 VAL N N 117.786 0.2 1 639 968 62 GLN H H 8.187 0.02 1 640 968 62 GLN HA H 3.959 0.02 1 641 968 62 GLN HB2 H 2.147 0.02 1 642 968 62 GLN HB3 H 2.013 0.02 1 643 968 62 GLN HG2 H 2.357 0.02 1 644 968 62 GLN HG3 H 2.392 0.02 1 645 968 62 GLN C C 178.793 0.2 1 646 968 62 GLN CA C 58.556 0.2 1 647 968 62 GLN CB C 27.924 0.2 1 648 968 62 GLN CG C 33.717 0.2 1 649 968 62 GLN N N 119.685 0.2 1 650 969 63 GLY H H 7.982 0.02 1 651 969 63 GLY HA2 H 3.806 0.02 1 652 969 63 GLY HA3 H 3.325 0.02 1 653 969 63 GLY C C 176.513 0.2 1 654 969 63 GLY CA C 46.339 0.2 1 655 969 63 GLY N N 108.841 0.2 1 656 970 64 VAL H H 8.055 0.02 1 657 970 64 VAL HA H 3.438 0.02 1 658 970 64 VAL HB H 2.187 0.02 1 659 970 64 VAL HG1 H 0.728 0.02 1 660 970 64 VAL HG2 H 0.918 0.02 1 661 970 64 VAL C C 176.910 0.2 1 662 970 64 VAL CA C 67.303 0.2 1 663 970 64 VAL CB C 31.597 0.2 1 664 970 64 VAL CG1 C 21.381 0.2 1 665 970 64 VAL CG2 C 24.889 0.2 1 666 970 64 VAL N N 124.304 0.2 1 667 971 65 ARG H H 8.300 0.02 1 668 971 65 ARG HA H 3.951 0.02 1 669 971 65 ARG HB2 H 1.788 0.02 1 670 971 65 ARG HB3 H 1.788 0.02 1 671 971 65 ARG HG2 H 1.710 0.02 1 672 971 65 ARG HG3 H 1.550 0.02 1 673 971 65 ARG HD2 H 3.081 0.02 1 674 971 65 ARG HD3 H 3.081 0.02 1 675 971 65 ARG C C 180.170 0.2 1 676 971 65 ARG CA C 59.412 0.2 1 677 971 65 ARG CB C 29.845 0.2 1 678 971 65 ARG CG C 27.599 0.2 1 679 971 65 ARG CD C 43.381 0.2 1 680 971 65 ARG N N 119.416 0.2 1 681 972 66 GLY H H 8.630 0.02 1 682 972 66 GLY HA2 H 3.805 0.02 1 683 972 66 GLY HA3 H 3.805 0.02 1 684 972 66 GLY C C 175.597 0.2 1 685 972 66 GLY CA C 46.943 0.2 1 686 972 66 GLY N N 106.117 0.2 1 687 973 67 SER H H 7.287 0.02 1 688 973 67 SER HA H 4.003 0.02 1 689 973 67 SER HB2 H 3.566 0.02 1 690 973 67 SER HB3 H 3.943 0.02 1 691 973 67 SER C C 177.615 0.2 1 692 973 67 SER CA C 60.664 0.2 1 693 973 67 SER CB C 63.263 0.2 1 694 973 67 SER N N 116.113 0.2 1 695 974 68 GLN H H 8.178 0.02 1 696 974 68 GLN HA H 3.955 0.02 1 697 974 68 GLN HB2 H 1.835 0.02 1 698 974 68 GLN HB3 H 2.027 0.02 1 699 974 68 GLN HG2 H 2.482 0.02 1 700 974 68 GLN HG3 H 2.273 0.02 1 701 974 68 GLN HE21 H 7.391 0.02 1 702 974 68 GLN HE22 H 6.562 0.02 1 703 974 68 GLN C C 178.446 0.2 1 704 974 68 GLN CA C 58.516 0.2 1 705 974 68 GLN CB C 28.293 0.2 1 706 974 68 GLN CG C 34.835 0.2 1 707 974 68 GLN N N 117.929 0.2 1 708 974 68 GLN NE2 N 111.002 0.2 1 709 975 69 ALA H H 7.729 0.02 1 710 975 69 ALA HA H 4.151 0.02 1 711 975 69 ALA HB H 1.461 0.02 1 712 975 69 ALA C C 178.151 0.2 1 713 975 69 ALA CA C 53.619 0.2 1 714 975 69 ALA CB C 19.384 0.2 1 715 975 69 ALA N N 118.070 0.2 1 716 976 70 GLN H H 7.048 0.02 1 717 976 70 GLN HA H 4.784 0.02 1 718 976 70 GLN HB2 H 1.960 0.02 1 719 976 70 GLN HB3 H 2.028 0.02 1 720 976 70 GLN HG2 H 2.219 0.02 1 721 976 70 GLN HG3 H 2.178 0.02 1 722 976 70 GLN HE21 H 7.563 0.02 1 723 976 70 GLN HE22 H 6.832 0.02 1 724 976 70 GLN CA C 52.932 0.2 1 725 976 70 GLN CB C 30.647 0.2 1 726 976 70 GLN CG C 34.071 0.2 1 727 976 70 GLN N N 114.929 0.2 1 728 976 70 GLN NE2 N 111.989 0.2 1 729 977 71 PRO HA H 4.485 0.02 1 730 977 71 PRO HB2 H 2.277 0.02 1 731 977 71 PRO HB3 H 1.827 0.02 1 732 977 71 PRO HG2 H 1.917 0.02 1 733 977 71 PRO HG3 H 1.870 0.02 1 734 977 71 PRO HD2 H 3.331 0.02 1 735 977 71 PRO HD3 H 3.530 0.02 1 736 977 71 PRO C C 176.641 0.2 1 737 977 71 PRO CA C 64.278 0.2 1 738 977 71 PRO CB C 32.175 0.2 1 739 977 71 PRO CG C 27.156 0.2 1 740 977 71 PRO CD C 50.137 0.2 1 741 978 72 ASP H H 8.369 0.02 1 742 978 72 ASP HA H 4.602 0.02 1 743 978 72 ASP HB2 H 2.696 0.02 1 744 978 72 ASP HB3 H 2.640 0.02 1 745 978 72 ASP C C 175.913 0.2 1 746 978 72 ASP CA C 53.128 0.2 1 747 978 72 ASP CB C 40.749 0.2 1 748 978 72 ASP N N 115.150 0.2 1 749 979 73 SER H H 7.427 0.02 1 750 979 73 SER HA H 4.928 0.02 1 751 979 73 SER HB2 H 4.091 0.02 1 752 979 73 SER HB3 H 3.856 0.02 1 753 979 73 SER CA C 54.095 0.2 1 754 979 73 SER CB C 63.905 0.2 1 755 979 73 SER N N 114.760 0.2 1 756 980 74 PRO HA H 4.258 0.02 1 757 980 74 PRO HB2 H 1.938 0.02 1 758 980 74 PRO HB3 H 2.378 0.02 1 759 980 74 PRO HG2 H 1.994 0.02 1 760 980 74 PRO HG3 H 2.122 0.02 1 761 980 74 PRO HD2 H 4.240 0.02 1 762 980 74 PRO HD3 H 3.988 0.02 1 763 980 74 PRO C C 179.314 0.2 1 764 980 74 PRO CA C 64.798 0.2 1 765 980 74 PRO CB C 32.022 0.2 1 766 980 74 PRO CG C 27.609 0.2 1 767 980 74 PRO CD C 51.244 0.2 1 768 981 75 SER H H 7.902 0.02 1 769 981 75 SER HA H 4.121 0.02 1 770 981 75 SER HB2 H 3.779 0.02 1 771 981 75 SER HB3 H 3.779 0.02 1 772 981 75 SER C C 177.426 0.2 1 773 981 75 SER CA C 61.317 0.2 1 774 981 75 SER CB C 62.128 0.2 1 775 981 75 SER N N 111.990 0.2 1 776 982 76 ALA H H 8.062 0.02 1 777 982 76 ALA HA H 4.091 0.02 1 778 982 76 ALA HB H 1.459 0.02 1 779 982 76 ALA C C 181.206 0.2 1 780 982 76 ALA CA C 54.868 0.2 1 781 982 76 ALA CB C 18.135 0.2 1 782 982 76 ALA N N 127.568 0.2 1 783 983 77 GLN H H 7.785 0.02 1 784 983 77 GLN HA H 3.861 0.02 1 785 983 77 GLN HB2 H 2.200 0.02 1 786 983 77 GLN HB3 H 1.951 0.02 1 787 983 77 GLN HG2 H 2.708 0.02 1 788 983 77 GLN HG3 H 2.269 0.02 1 789 983 77 GLN HE21 H 7.469 0.02 1 790 983 77 GLN HE22 H 6.693 0.02 1 791 983 77 GLN C C 178.152 0.2 1 792 983 77 GLN CA C 59.827 0.2 1 793 983 77 GLN CB C 27.539 0.2 1 794 983 77 GLN CG C 34.725 0.2 1 795 983 77 GLN N N 119.945 0.2 1 796 983 77 GLN NE2 N 110.242 0.2 1 797 984 78 LEU H H 8.312 0.02 1 798 984 78 LEU HA H 3.979 0.02 1 799 984 78 LEU HB2 H 1.772 0.02 1 800 984 78 LEU HB3 H 1.564 0.02 1 801 984 78 LEU HG H 1.744 0.02 1 802 984 78 LEU HD1 H 0.843 0.02 1 803 984 78 LEU HD2 H 0.848 0.02 1 804 984 78 LEU C C 179.720 0.2 1 805 984 78 LEU CA C 58.165 0.2 1 806 984 78 LEU CB C 41.394 0.2 1 807 984 78 LEU CG C 27.008 0.2 1 808 984 78 LEU CD1 C 23.691 0.2 1 809 984 78 LEU CD2 C 24.507 0.2 1 810 984 78 LEU N N 119.909 0.2 1 811 985 79 ALA H H 7.882 0.02 1 812 985 79 ALA HA H 4.185 0.02 1 813 985 79 ALA HB H 1.474 0.02 1 814 985 79 ALA C C 180.786 0.2 1 815 985 79 ALA CA C 54.861 0.2 1 816 985 79 ALA CB C 17.812 0.2 1 817 985 79 ALA N N 120.931 0.2 1 818 986 80 LEU H H 7.564 0.02 1 819 986 80 LEU HA H 4.045 0.02 1 820 986 80 LEU HB2 H 2.103 0.02 1 821 986 80 LEU HB3 H 1.380 0.02 1 822 986 80 LEU HG H 1.294 0.02 1 823 986 80 LEU HD1 H 0.860 0.02 1 824 986 80 LEU HD2 H 0.673 0.02 1 825 986 80 LEU C C 179.414 0.2 1 826 986 80 LEU CA C 58.051 0.2 1 827 986 80 LEU CB C 40.348 0.2 1 828 986 80 LEU CG C 26.976 0.2 1 829 986 80 LEU CD1 C 26.985 0.2 1 830 986 80 LEU CD2 C 22.257 0.2 1 831 986 80 LEU N N 120.882 0.2 1 832 987 81 ILE H H 8.441 0.02 1 833 987 81 ILE HA H 3.363 0.02 1 834 987 81 ILE HB H 1.869 0.02 1 835 987 81 ILE HG12 H 1.726 0.02 1 836 987 81 ILE HG13 H 0.711 0.02 1 837 987 81 ILE HG2 H 0.789 0.02 1 838 987 81 ILE HD1 H 0.712 0.02 1 839 987 81 ILE C C 177.365 0.2 1 840 987 81 ILE CA C 66.983 0.2 1 841 987 81 ILE CB C 38.546 0.2 1 842 987 81 ILE CG1 C 30.284 0.2 1 843 987 81 ILE CG2 C 17.397 0.2 1 844 987 81 ILE CD1 C 13.995 0.2 1 845 987 81 ILE N N 124.148 0.2 1 846 988 82 ALA H H 8.513 0.02 1 847 988 82 ALA HA H 4.154 0.02 1 848 988 82 ALA HB H 1.439 0.02 1 849 988 82 ALA C C 180.975 0.2 1 850 988 82 ALA CA C 55.324 0.2 1 851 988 82 ALA CB C 17.918 0.2 1 852 988 82 ALA N N 121.410 0.2 1 853 989 83 ALA H H 8.250 0.02 1 854 989 83 ALA HA H 4.190 0.02 1 855 989 83 ALA HB H 1.399 0.02 1 856 989 83 ALA C C 180.424 0.2 1 857 989 83 ALA CA C 54.704 0.2 1 858 989 83 ALA CB C 17.953 0.2 1 859 989 83 ALA N N 120.419 0.2 1 860 990 84 SER H H 8.113 0.02 1 861 990 84 SER HA H 3.969 0.02 1 862 990 84 SER HB2 H 4.138 0.02 1 863 990 84 SER HB3 H 3.399 0.02 1 864 990 84 SER HG H 3.583 0.02 1 865 990 84 SER C C 174.869 0.2 1 866 990 84 SER CA C 63.477 0.2 1 867 990 84 SER CB C 62.536 0.2 1 868 990 84 SER N N 116.059 0.2 1 869 991 85 GLN H H 8.259 0.02 1 870 991 85 GLN HA H 3.995 0.02 1 871 991 85 GLN HB2 H 2.131 0.02 1 872 991 85 GLN HB3 H 2.012 0.02 1 873 991 85 GLN HG2 H 2.265 0.02 1 874 991 85 GLN HG3 H 2.513 0.02 1 875 991 85 GLN HE21 H 7.187 0.02 1 876 991 85 GLN HE22 H 6.595 0.02 1 877 991 85 GLN C C 180.028 0.2 1 878 991 85 GLN CA C 58.872 0.2 1 879 991 85 GLN CB C 27.875 0.2 1 880 991 85 GLN CG C 34.317 0.2 1 881 991 85 GLN N N 118.132 0.2 1 882 991 85 GLN NE2 N 109.206 0.2 1 883 992 86 SER H H 8.325 0.02 1 884 992 86 SER HA H 4.199 0.02 1 885 992 86 SER HB2 H 4.021 0.02 1 886 992 86 SER HB3 H 3.970 0.02 1 887 992 86 SER C C 175.227 0.2 1 888 992 86 SER CA C 61.421 0.2 1 889 992 86 SER CB C 63.148 0.2 1 890 992 86 SER N N 115.144 0.2 1 891 993 87 PHE H H 7.671 0.02 1 892 993 87 PHE HA H 4.049 0.02 1 893 993 87 PHE HB2 H 3.385 0.02 1 894 993 87 PHE HB3 H 2.963 0.02 1 895 993 87 PHE HD1 H 6.994 0.02 3 896 993 87 PHE HD2 H 6.994 0.02 3 897 993 87 PHE HE1 H 6.923 0.02 3 898 993 87 PHE HE2 H 6.923 0.02 3 899 993 87 PHE HZ H 6.772 0.02 1 900 993 87 PHE C C 176.468 0.2 1 901 993 87 PHE CA C 60.739 0.2 1 902 993 87 PHE CB C 40.887 0.2 1 903 993 87 PHE CD1 C 132.954 0.2 3 904 993 87 PHE CD2 C 132.954 0.2 3 905 993 87 PHE CE1 C 130.027 0.2 3 906 993 87 PHE CE2 C 130.027 0.2 3 907 993 87 PHE CZ C 128.606 0.2 1 908 993 87 PHE N N 120.352 0.2 1 909 994 88 LEU H H 7.243 0.02 1 910 994 88 LEU HA H 3.814 0.02 1 911 994 88 LEU HB2 H 1.446 0.02 1 912 994 88 LEU HB3 H 1.923 0.02 1 913 994 88 LEU HG H 2.306 0.02 1 914 994 88 LEU HD1 H 0.933 0.02 1 915 994 88 LEU HD2 H 0.919 0.02 1 916 994 88 LEU C C 179.771 0.2 1 917 994 88 LEU CA C 58.535 0.2 1 918 994 88 LEU CB C 41.511 0.2 1 919 994 88 LEU CG C 25.839 0.2 1 920 994 88 LEU CD1 C 25.974 0.2 1 921 994 88 LEU CD2 C 23.653 0.2 1 922 994 88 LEU N N 113.081 0.2 1 923 995 89 GLN H H 8.342 0.02 1 924 995 89 GLN HA H 4.304 0.02 1 925 995 89 GLN HB2 H 2.165 0.02 1 926 995 89 GLN HB3 H 2.165 0.02 1 927 995 89 GLN HG2 H 2.294 0.02 1 928 995 89 GLN HG3 H 2.403 0.02 1 929 995 89 GLN CA C 60.389 0.2 1 930 995 89 GLN CB C 25.690 0.2 1 931 995 89 GLN CG C 34.124 0.2 1 932 995 89 GLN N N 117.820 0.2 1 933 996 90 PRO HA H 4.171 0.02 1 934 996 90 PRO HB2 H 2.012 0.02 1 935 996 90 PRO HB3 H 1.419 0.02 1 936 996 90 PRO HG2 H 1.925 0.02 1 937 996 90 PRO HG3 H 1.764 0.02 1 938 996 90 PRO HD2 H 4.063 0.02 1 939 996 90 PRO HD3 H 3.489 0.02 1 940 996 90 PRO C C 179.773 0.2 1 941 996 90 PRO CA C 65.402 0.2 1 942 996 90 PRO CB C 29.711 0.2 1 943 996 90 PRO CG C 27.464 0.2 1 944 996 90 PRO CD C 49.682 0.2 1 945 997 91 GLY H H 7.833 0.02 1 946 997 91 GLY HA2 H 3.265 0.02 1 947 997 91 GLY HA3 H 3.206 0.02 1 948 997 91 GLY C C 174.488 0.2 1 949 997 91 GLY CA C 47.618 0.2 1 950 997 91 GLY N N 106.378 0.2 1 951 998 92 GLY H H 8.274 0.02 1 952 998 92 GLY HA2 H 3.930 0.02 1 953 998 92 GLY HA3 H 3.649 0.02 1 954 998 92 GLY C C 177.324 0.2 1 955 998 92 GLY CA C 46.991 0.2 1 956 998 92 GLY N N 109.690 0.2 1 957 999 93 LYS H H 7.750 0.02 1 958 999 93 LYS HA H 4.045 0.02 1 959 999 93 LYS HB2 H 1.807 0.02 1 960 999 93 LYS HB3 H 1.807 0.02 1 961 999 93 LYS HG2 H 1.359 0.02 1 962 999 93 LYS HG3 H 1.497 0.02 1 963 999 93 LYS HD2 H 1.539 0.02 1 964 999 93 LYS HD3 H 1.588 0.02 1 965 999 93 LYS HE2 H 2.834 0.02 1 966 999 93 LYS HE3 H 2.834 0.02 1 967 999 93 LYS C C 179.049 0.2 1 968 999 93 LYS CA C 59.124 0.2 1 969 999 93 LYS CB C 32.070 0.2 1 970 999 93 LYS CG C 25.420 0.2 1 971 999 93 LYS CD C 29.017 0.2 1 972 999 93 LYS CE C 42.071 0.2 1 973 999 93 LYS N N 122.663 0.2 1 974 1000 94 MET H H 7.748 0.02 1 975 1000 94 MET HA H 4.218 0.02 1 976 1000 94 MET HB2 H 1.749 0.02 1 977 1000 94 MET HB3 H 2.314 0.02 1 978 1000 94 MET HG2 H 2.323 0.02 1 979 1000 94 MET HG3 H 2.169 0.02 1 980 1000 94 MET HE H 1.976 0.02 1 981 1000 94 MET C C 177.492 0.2 1 982 1000 94 MET CA C 58.805 0.2 1 983 1000 94 MET CB C 33.074 0.2 1 984 1000 94 MET CG C 32.296 0.2 1 985 1000 94 MET CE C 19.831 0.2 1 986 1000 94 MET N N 120.630 0.2 1 987 1001 95 VAL H H 7.925 0.02 1 988 1001 95 VAL HA H 3.281 0.02 1 989 1001 95 VAL HB H 2.154 0.02 1 990 1001 95 VAL HG1 H 0.884 0.02 1 991 1001 95 VAL HG2 H 1.022 0.02 1 992 1001 95 VAL C C 177.396 0.2 1 993 1001 95 VAL CA C 68.055 0.2 1 994 1001 95 VAL CB C 31.835 0.2 1 995 1001 95 VAL CG1 C 21.355 0.2 1 996 1001 95 VAL CG2 C 23.917 0.2 1 997 1001 95 VAL N N 119.841 0.2 1 998 1002 96 ALA H H 7.629 0.02 1 999 1002 96 ALA HA H 3.992 0.02 1 1000 1002 96 ALA HB H 1.411 0.02 1 1001 1002 96 ALA C C 180.786 0.2 1 1002 1002 96 ALA CA C 55.161 0.2 1 1003 1002 96 ALA CB C 18.021 0.2 1 1004 1002 96 ALA N N 119.656 0.2 1 1005 1003 97 ALA H H 8.342 0.02 1 1006 1003 97 ALA HA H 4.060 0.02 1 1007 1003 97 ALA HB H 1.333 0.02 1 1008 1003 97 ALA C C 180.384 0.2 1 1009 1003 97 ALA CA C 54.699 0.2 1 1010 1003 97 ALA CB C 18.020 0.2 1 1011 1003 97 ALA N N 121.368 0.2 1 1012 1004 98 ALA H H 8.807 0.02 1 1013 1004 98 ALA HA H 3.869 0.02 1 1014 1004 98 ALA HB H 1.278 0.02 1 1015 1004 98 ALA C C 179.147 0.2 1 1016 1004 98 ALA CA C 55.511 0.2 1 1017 1004 98 ALA CB C 17.778 0.2 1 1018 1004 98 ALA N N 122.352 0.2 1 1019 1005 99 LYS H H 8.233 0.02 1 1020 1005 99 LYS HA H 3.778 0.02 1 1021 1005 99 LYS HB2 H 1.794 0.02 1 1022 1005 99 LYS HB3 H 1.794 0.02 1 1023 1005 99 LYS HG2 H 1.344 0.02 1 1024 1005 99 LYS HG3 H 1.627 0.02 1 1025 1005 99 LYS HD2 H 1.586 0.02 1 1026 1005 99 LYS HD3 H 1.586 0.02 1 1027 1005 99 LYS HE2 H 2.761 0.02 1 1028 1005 99 LYS HE3 H 2.839 0.02 1 1029 1005 99 LYS C C 179.639 0.2 1 1030 1005 99 LYS CA C 60.449 0.2 1 1031 1005 99 LYS CB C 32.438 0.2 1 1032 1005 99 LYS CG C 25.929 0.2 1 1033 1005 99 LYS CD C 29.709 0.2 1 1034 1005 99 LYS CE C 41.691 0.2 1 1035 1005 99 LYS N N 116.878 0.2 1 1036 1006 100 ALA H H 7.791 0.02 1 1037 1006 100 ALA HA H 4.123 0.02 1 1038 1006 100 ALA HB H 1.418 0.02 1 1039 1006 100 ALA C C 179.183 0.2 1 1040 1006 100 ALA CA C 53.971 0.2 1 1041 1006 100 ALA CB C 18.368 0.2 1 1042 1006 100 ALA N N 118.636 0.2 1 1043 1007 101 SER H H 7.634 0.02 1 1044 1007 101 SER HA H 4.305 0.02 1 1045 1007 101 SER HB2 H 3.658 0.02 1 1046 1007 101 SER HB3 H 3.895 0.02 1 1047 1007 101 SER C C 176.206 0.2 1 1048 1007 101 SER CA C 61.150 0.2 1 1049 1007 101 SER CB C 63.974 0.2 1 1050 1007 101 SER N N 112.128 0.2 1 1051 1008 102 VAL H H 7.528 0.02 1 1052 1008 102 VAL HA H 3.634 0.02 1 1053 1008 102 VAL HB H 2.265 0.02 1 1054 1008 102 VAL HG1 H 0.901 0.02 1 1055 1008 102 VAL HG2 H 1.103 0.02 1 1056 1008 102 VAL CA C 69.448 0.2 1 1057 1008 102 VAL CB C 30.321 0.2 1 1058 1008 102 VAL CG1 C 21.219 0.2 1 1059 1008 102 VAL CG2 C 23.279 0.2 1 1060 1008 102 VAL N N 123.251 0.2 1 1061 1009 103 PRO HA H 4.450 0.02 1 1062 1009 103 PRO HB2 H 1.791 0.02 1 1063 1009 103 PRO HB3 H 2.356 0.02 1 1064 1009 103 PRO HG2 H 1.922 0.02 1 1065 1009 103 PRO HG3 H 1.922 0.02 1 1066 1009 103 PRO HD2 H 3.577 0.02 1 1067 1009 103 PRO HD3 H 3.577 0.02 1 1068 1009 103 PRO C C 176.836 0.2 1 1069 1009 103 PRO CA C 65.173 0.2 1 1070 1009 103 PRO CB C 31.661 0.2 1 1071 1009 103 PRO CG C 27.896 0.2 1 1072 1009 103 PRO CD C 50.326 0.2 1 1073 1010 104 THR H H 7.721 0.02 1 1074 1010 104 THR HA H 4.395 0.02 1 1075 1010 104 THR HB H 4.429 0.02 1 1076 1010 104 THR HG2 H 1.179 0.02 1 1077 1010 104 THR C C 174.245 0.2 1 1078 1010 104 THR CA C 61.504 0.2 1 1079 1010 104 THR CB C 69.760 0.2 1 1080 1010 104 THR CG2 C 21.898 0.2 1 1081 1010 104 THR N N 106.118 0.2 1 1082 1011 105 ILE H H 7.301 0.02 1 1083 1011 105 ILE HA H 3.964 0.02 1 1084 1011 105 ILE HB H 1.848 0.02 1 1085 1011 105 ILE HG12 H 1.119 0.02 1 1086 1011 105 ILE HG13 H 1.487 0.02 1 1087 1011 105 ILE HG2 H 0.950 0.02 1 1088 1011 105 ILE HD1 H 0.611 0.02 1 1089 1011 105 ILE C C 175.810 0.2 1 1090 1011 105 ILE CA C 60.990 0.2 1 1091 1011 105 ILE CB C 38.031 0.2 1 1092 1011 105 ILE CG1 C 27.302 0.2 1 1093 1011 105 ILE CG2 C 17.827 0.2 1 1094 1011 105 ILE CD1 C 13.700 0.2 1 1095 1011 105 ILE N N 124.398 0.2 1 1096 1012 106 GLN H H 8.542 0.02 1 1097 1012 106 GLN HA H 3.977 0.02 1 1098 1012 106 GLN HB2 H 1.921 0.02 1 1099 1012 106 GLN HB3 H 2.085 0.02 1 1100 1012 106 GLN HG2 H 2.333 0.02 1 1101 1012 106 GLN HG3 H 2.375 0.02 1 1102 1012 106 GLN HE21 H 6.807 0.02 1 1103 1012 106 GLN HE22 H 7.391 0.02 1 1104 1012 106 GLN C C 176.239 0.2 1 1105 1012 106 GLN CA C 58.008 0.2 1 1106 1012 106 GLN CB C 28.854 0.2 1 1107 1012 106 GLN CG C 34.174 0.2 1 1108 1012 106 GLN N N 126.727 0.2 1 1109 1012 106 GLN NE2 N 112.310 0.2 1 1110 1013 107 ASP H H 7.549 0.02 1 1111 1013 107 ASP HA H 4.629 0.02 1 1112 1013 107 ASP HB2 H 2.623 0.02 1 1113 1013 107 ASP HB3 H 2.623 0.02 1 1114 1013 107 ASP C C 175.557 0.2 1 1115 1013 107 ASP CA C 53.877 0.2 1 1116 1013 107 ASP CB C 42.352 0.2 1 1117 1013 107 ASP N N 118.871 0.2 1 1118 1014 108 GLN H H 8.900 0.02 1 1119 1014 108 GLN HA H 3.962 0.02 1 1120 1014 108 GLN HB2 H 2.065 0.02 1 1121 1014 108 GLN HB3 H 2.065 0.02 1 1122 1014 108 GLN HG2 H 2.388 0.02 1 1123 1014 108 GLN HG3 H 2.433 0.02 1 1124 1014 108 GLN HE21 H 7.386 0.02 1 1125 1014 108 GLN HE22 H 6.846 0.02 1 1126 1014 108 GLN C C 178.087 0.2 1 1127 1014 108 GLN CA C 59.155 0.2 1 1128 1014 108 GLN CB C 28.506 0.2 1 1129 1014 108 GLN CG C 34.118 0.2 1 1130 1014 108 GLN N N 128.437 0.2 1 1131 1014 108 GLN NE2 N 112.693 0.2 1 1132 1015 109 ALA H H 8.422 0.02 1 1133 1015 109 ALA HA H 4.115 0.02 1 1134 1015 109 ALA HB H 1.439 0.02 1 1135 1015 109 ALA C C 181.204 0.2 1 1136 1015 109 ALA CA C 55.508 0.2 1 1137 1015 109 ALA CB C 17.717 0.2 1 1138 1015 109 ALA N N 122.178 0.2 1 1139 1016 110 SER H H 7.962 0.02 1 1140 1016 110 SER HA H 4.214 0.02 1 1141 1016 110 SER HB2 H 3.951 0.02 1 1142 1016 110 SER HB3 H 3.728 0.02 1 1143 1016 110 SER C C 177.260 0.2 1 1144 1016 110 SER CA C 61.819 0.2 1 1145 1016 110 SER CB C 62.775 0.2 1 1146 1016 110 SER N N 115.813 0.2 1 1147 1017 111 ALA H H 8.473 0.02 1 1148 1017 111 ALA HA H 3.849 0.02 1 1149 1017 111 ALA HB H 1.495 0.02 1 1150 1017 111 ALA C C 179.147 0.2 1 1151 1017 111 ALA CA C 55.802 0.2 1 1152 1017 111 ALA CB C 18.611 0.2 1 1153 1017 111 ALA N N 126.226 0.2 1 1154 1018 112 MET H H 8.357 0.02 1 1155 1018 112 MET HA H 4.189 0.02 1 1156 1018 112 MET HB2 H 2.176 0.02 1 1157 1018 112 MET HB3 H 2.090 0.02 1 1158 1018 112 MET HG2 H 2.698 0.02 1 1159 1018 112 MET HG3 H 2.578 0.02 1 1160 1018 112 MET HE H 2.026 0.02 1 1161 1018 112 MET C C 178.920 0.2 1 1162 1018 112 MET CA C 58.092 0.2 1 1163 1018 112 MET CB C 32.207 0.2 1 1164 1018 112 MET CG C 32.237 0.2 1 1165 1018 112 MET CE C 17.074 0.2 1 1166 1018 112 MET N N 116.784 0.2 1 1167 1019 113 GLN H H 7.921 0.02 1 1168 1019 113 GLN HA H 4.151 0.02 1 1169 1019 113 GLN HB2 H 2.164 0.02 1 1170 1019 113 GLN HB3 H 2.118 0.02 1 1171 1019 113 GLN HG2 H 2.362 0.02 1 1172 1019 113 GLN HG3 H 2.362 0.02 1 1173 1019 113 GLN HE21 H 7.377 0.02 1 1174 1019 113 GLN HE22 H 6.648 0.02 1 1175 1019 113 GLN C C 178.615 0.2 1 1176 1019 113 GLN CA C 58.836 0.2 1 1177 1019 113 GLN CB C 28.424 0.2 1 1178 1019 113 GLN CG C 33.700 0.2 1 1179 1019 113 GLN N N 119.776 0.2 1 1180 1019 113 GLN NE2 N 110.583 0.2 1 1181 1020 114 LEU H H 7.946 0.02 1 1182 1020 114 LEU HA H 3.928 0.02 1 1183 1020 114 LEU HB2 H 1.225 0.02 1 1184 1020 114 LEU HB3 H 1.946 0.02 1 1185 1020 114 LEU HG H 1.366 0.02 1 1186 1020 114 LEU HD1 H 0.756 0.02 1 1187 1020 114 LEU HD2 H 0.816 0.02 1 1188 1020 114 LEU C C 177.446 0.2 1 1189 1020 114 LEU CA C 58.266 0.2 1 1190 1020 114 LEU CB C 41.293 0.2 1 1191 1020 114 LEU CG C 26.679 0.2 1 1192 1020 114 LEU CD1 C 26.872 0.2 1 1193 1020 114 LEU CD2 C 23.329 0.2 1 1194 1020 114 LEU N N 119.813 0.2 1 1195 1021 115 SER H H 8.396 0.02 1 1196 1021 115 SER HA H 3.857 0.02 1 1197 1021 115 SER HB2 H 4.084 0.02 1 1198 1021 115 SER HB3 H 4.038 0.02 1 1199 1021 115 SER C C 177.475 0.2 1 1200 1021 115 SER CA C 61.491 0.2 1 1201 1021 115 SER CB C 63.247 0.2 1 1202 1021 115 SER N N 113.176 0.2 1 1203 1022 116 GLN H H 8.395 0.02 1 1204 1022 116 GLN HA H 3.997 0.02 1 1205 1022 116 GLN HB2 H 2.107 0.02 1 1206 1022 116 GLN HB3 H 2.220 0.02 1 1207 1022 116 GLN HG2 H 2.404 0.02 1 1208 1022 116 GLN HG3 H 2.404 0.02 1 1209 1022 116 GLN HE21 H 7.296 0.02 1 1210 1022 116 GLN HE22 H 6.885 0.02 1 1211 1022 116 GLN C C 179.036 0.2 1 1212 1022 116 GLN CA C 58.912 0.2 1 1213 1022 116 GLN CB C 28.520 0.2 1 1214 1022 116 GLN CG C 33.989 0.2 1 1215 1022 116 GLN N N 119.633 0.2 1 1216 1022 116 GLN NE2 N 112.291 0.2 1 1217 1023 117 CYS H H 8.367 0.02 1 1218 1023 117 CYS HA H 4.120 0.02 1 1219 1023 117 CYS HB2 H 3.321 0.02 1 1220 1023 117 CYS HB3 H 2.799 0.02 1 1221 1023 117 CYS C C 177.144 0.2 1 1222 1023 117 CYS CA C 64.431 0.2 1 1223 1023 117 CYS CB C 26.254 0.2 1 1224 1023 117 CYS N N 117.289 0.2 1 1225 1024 118 ALA H H 8.659 0.02 1 1226 1024 118 ALA HA H 3.925 0.02 1 1227 1024 118 ALA HB H 1.432 0.02 1 1228 1024 118 ALA C C 179.234 0.2 1 1229 1024 118 ALA CA C 55.558 0.2 1 1230 1024 118 ALA CB C 17.845 0.2 1 1231 1024 118 ALA N N 121.795 0.2 1 1232 1025 119 LYS H H 7.957 0.02 1 1233 1025 119 LYS HA H 4.012 0.02 1 1234 1025 119 LYS HB2 H 1.915 0.02 1 1235 1025 119 LYS HB3 H 1.891 0.02 1 1236 1025 119 LYS HG2 H 1.328 0.02 1 1237 1025 119 LYS HG3 H 1.505 0.02 1 1238 1025 119 LYS HD2 H 1.617 0.02 1 1239 1025 119 LYS HD3 H 1.617 0.02 1 1240 1025 119 LYS HE2 H 2.885 0.02 1 1241 1025 119 LYS HE3 H 2.885 0.02 1 1242 1025 119 LYS C C 179.334 0.2 1 1243 1025 119 LYS CA C 59.539 0.2 1 1244 1025 119 LYS CB C 32.097 0.2 1 1245 1025 119 LYS CG C 24.979 0.2 1 1246 1025 119 LYS CD C 29.444 0.2 1 1247 1025 119 LYS CE C 42.076 0.2 1 1248 1025 119 LYS N N 119.226 0.2 1 1249 1026 120 ASN H H 8.125 0.02 1 1250 1026 120 ASN HA H 4.416 0.02 1 1251 1026 120 ASN HB2 H 2.929 0.02 1 1252 1026 120 ASN HB3 H 2.860 0.02 1 1253 1026 120 ASN HD21 H 7.700 0.02 1 1254 1026 120 ASN HD22 H 6.942 0.02 1 1255 1026 120 ASN C C 178.393 0.2 1 1256 1026 120 ASN CA C 55.847 0.2 1 1257 1026 120 ASN CB C 37.630 0.2 1 1258 1026 120 ASN N N 119.100 0.2 1 1259 1026 120 ASN ND2 N 111.807 0.2 1 1260 1027 121 LEU H H 8.795 0.02 1 1261 1027 121 LEU HA H 4.327 0.02 1 1262 1027 121 LEU HB2 H 1.888 0.02 1 1263 1027 121 LEU HB3 H 1.365 0.02 1 1264 1027 121 LEU HG H 1.350 0.02 1 1265 1027 121 LEU HD1 H 0.931 0.02 1 1266 1027 121 LEU HD2 H 0.822 0.02 1 1267 1027 121 LEU C C 178.209 0.2 1 1268 1027 121 LEU CA C 57.477 0.2 1 1269 1027 121 LEU CB C 40.294 0.2 1 1270 1027 121 LEU CG C 26.725 0.2 1 1271 1027 121 LEU CD1 C 22.993 0.2 1 1272 1027 121 LEU CD2 C 27.761 0.2 1 1273 1027 121 LEU N N 123.154 0.2 1 1274 1028 122 GLY H H 8.587 0.02 1 1275 1028 122 GLY HA2 H 3.703 0.02 1 1276 1028 122 GLY HA3 H 4.086 0.02 1 1277 1028 122 GLY C C 177.362 0.2 1 1278 1028 122 GLY CA C 47.847 0.2 1 1279 1028 122 GLY N N 108.231 0.2 1 1280 1029 123 THR H H 8.074 0.02 1 1281 1029 123 THR HA H 4.026 0.02 1 1282 1029 123 THR HB H 4.253 0.02 1 1283 1029 123 THR HG2 H 1.238 0.02 1 1284 1029 123 THR C C 176.198 0.2 1 1285 1029 123 THR CA C 66.431 0.2 1 1286 1029 123 THR CB C 68.642 0.2 1 1287 1029 123 THR CG2 C 22.167 0.2 1 1288 1029 123 THR N N 120.173 0.2 1 1289 1030 124 ALA H H 8.276 0.02 1 1290 1030 124 ALA HA H 4.154 0.02 1 1291 1030 124 ALA HB H 1.508 0.02 1 1292 1030 124 ALA C C 182.065 0.2 1 1293 1030 124 ALA CA C 54.989 0.2 1 1294 1030 124 ALA CB C 17.611 0.2 1 1295 1030 124 ALA N N 124.907 0.2 1 1296 1031 125 LEU H H 9.202 0.02 1 1297 1031 125 LEU HA H 4.041 0.02 1 1298 1031 125 LEU HB2 H 2.022 0.02 1 1299 1031 125 LEU HB3 H 1.464 0.02 1 1300 1031 125 LEU HG H 2.019 0.02 1 1301 1031 125 LEU HD1 H 0.702 0.02 1 1302 1031 125 LEU HD2 H 0.946 0.02 1 1303 1031 125 LEU C C 178.269 0.2 1 1304 1031 125 LEU CA C 57.712 0.2 1 1305 1031 125 LEU CB C 40.804 0.2 1 1306 1031 125 LEU CG C 26.251 0.2 1 1307 1031 125 LEU CD1 C 26.542 0.2 1 1308 1031 125 LEU CD2 C 23.222 0.2 1 1309 1031 125 LEU N N 120.207 0.2 1 1310 1032 126 ALA H H 7.714 0.02 1 1311 1032 126 ALA HA H 4.133 0.02 1 1312 1032 126 ALA HB H 1.552 0.02 1 1313 1032 126 ALA C C 180.692 0.2 1 1314 1032 126 ALA CA C 55.447 0.2 1 1315 1032 126 ALA CB C 17.660 0.2 1 1316 1032 126 ALA N N 123.746 0.2 1 1317 1033 127 GLU H H 7.836 0.02 1 1318 1033 127 GLU HA H 4.168 0.02 1 1319 1033 127 GLU HB2 H 2.077 0.02 1 1320 1033 127 GLU HB3 H 1.948 0.02 1 1321 1033 127 GLU HG2 H 2.346 0.02 1 1322 1033 127 GLU HG3 H 2.346 0.02 1 1323 1033 127 GLU C C 178.864 0.2 1 1324 1033 127 GLU CA C 58.626 0.2 1 1325 1033 127 GLU CB C 28.923 0.2 1 1326 1033 127 GLU CG C 35.729 0.2 1 1327 1033 127 GLU N N 118.038 0.2 1 1328 1034 128 LEU H H 8.178 0.02 1 1329 1034 128 LEU HA H 3.957 0.02 1 1330 1034 128 LEU HB2 H 2.199 0.02 1 1331 1034 128 LEU HB3 H 1.224 0.02 1 1332 1034 128 LEU HG H 1.466 0.02 1 1333 1034 128 LEU HD1 H 0.819 0.02 1 1334 1034 128 LEU HD2 H 0.896 0.02 1 1335 1034 128 LEU C C 176.779 0.2 1 1336 1034 128 LEU CA C 57.960 0.2 1 1337 1034 128 LEU CB C 42.788 0.2 1 1338 1034 128 LEU CG C 26.665 0.2 1 1339 1034 128 LEU CD1 C 23.304 0.2 1 1340 1034 128 LEU CD2 C 26.601 0.2 1 1341 1034 128 LEU N N 121.519 0.2 1 1342 1035 129 ARG H H 8.522 0.02 1 1343 1035 129 ARG HA H 3.805 0.02 1 1344 1035 129 ARG HB2 H 1.969 0.02 1 1345 1035 129 ARG HB3 H 2.029 0.02 1 1346 1035 129 ARG HG2 H 1.465 0.02 1 1347 1035 129 ARG HG3 H 1.614 0.02 1 1348 1035 129 ARG HD2 H 3.237 0.02 1 1349 1035 129 ARG HD3 H 3.200 0.02 1 1350 1035 129 ARG C C 179.149 0.2 1 1351 1035 129 ARG CA C 59.937 0.2 1 1352 1035 129 ARG CB C 29.974 0.2 1 1353 1035 129 ARG CG C 26.876 0.2 1 1354 1035 129 ARG CD C 43.232 0.2 1 1355 1035 129 ARG N N 119.060 0.2 1 1356 1036 130 THR H H 7.937 0.02 1 1357 1036 130 THR HA H 3.923 0.02 1 1358 1036 130 THR HB H 4.095 0.02 1 1359 1036 130 THR HG2 H 1.197 0.02 1 1360 1036 130 THR C C 175.720 0.2 1 1361 1036 130 THR CA C 66.326 0.2 1 1362 1036 130 THR CB C 68.803 0.2 1 1363 1036 130 THR CG2 C 22.130 0.2 1 1364 1036 130 THR N N 115.503 0.2 1 1365 1037 131 ALA H H 8.539 0.02 1 1366 1037 131 ALA HA H 3.957 0.02 1 1367 1037 131 ALA HB H 1.326 0.02 1 1368 1037 131 ALA C C 180.635 0.2 1 1369 1037 131 ALA CA C 55.092 0.2 1 1370 1037 131 ALA CB C 18.061 0.2 1 1371 1037 131 ALA N N 123.040 0.2 1 1372 1038 132 ALA H H 8.724 0.02 1 1373 1038 132 ALA HA H 3.985 0.02 1 1374 1038 132 ALA HB H 1.396 0.02 1 1375 1038 132 ALA C C 178.276 0.2 1 1376 1038 132 ALA CA C 55.463 0.2 1 1377 1038 132 ALA CB C 17.252 0.2 1 1378 1038 132 ALA N N 121.088 0.2 1 1379 1039 133 GLN H H 7.845 0.02 1 1380 1039 133 GLN HA H 3.942 0.02 1 1381 1039 133 GLN HB2 H 2.123 0.02 1 1382 1039 133 GLN HB3 H 2.217 0.02 1 1383 1039 133 GLN HG2 H 2.429 0.02 1 1384 1039 133 GLN HG3 H 2.262 0.02 1 1385 1039 133 GLN HE21 H 7.617 0.02 1 1386 1039 133 GLN HE22 H 6.699 0.02 1 1387 1039 133 GLN C C 179.043 0.2 1 1388 1039 133 GLN CA C 58.980 0.2 1 1389 1039 133 GLN CB C 28.092 0.2 1 1390 1039 133 GLN CG C 33.470 0.2 1 1391 1039 133 GLN N N 118.285 0.2 1 1392 1039 133 GLN NE2 N 111.906 0.2 1 1393 1040 134 LYS H H 8.325 0.02 1 1394 1040 134 LYS HA H 3.973 0.02 1 1395 1040 134 LYS HB2 H 1.739 0.02 1 1396 1040 134 LYS HB3 H 1.830 0.02 1 1397 1040 134 LYS HG2 H 1.570 0.02 1 1398 1040 134 LYS HG3 H 1.503 0.02 1 1399 1040 134 LYS HD2 H 1.574 0.02 1 1400 1040 134 LYS HD3 H 1.574 0.02 1 1401 1040 134 LYS HE2 H 2.825 0.02 1 1402 1040 134 LYS HE3 H 2.881 0.02 1 1403 1040 134 LYS C C 179.205 0.2 1 1404 1040 134 LYS CA C 58.472 0.2 1 1405 1040 134 LYS CB C 31.821 0.2 1 1406 1040 134 LYS CG C 25.253 0.2 1 1407 1040 134 LYS CD C 28.381 0.2 1 1408 1040 134 LYS CE C 42.079 0.2 1 1409 1040 134 LYS N N 117.033 0.2 1 1410 1041 135 ALA H H 7.621 0.02 1 1411 1041 135 ALA HA H 4.029 0.02 1 1412 1041 135 ALA HB H 1.308 0.02 1 1413 1041 135 ALA C C 178.292 0.2 1 1414 1041 135 ALA CA C 54.444 0.2 1 1415 1041 135 ALA CB C 18.021 0.2 1 1416 1041 135 ALA N N 118.532 0.2 1 1417 1042 136 GLN H H 7.739 0.02 1 1418 1042 136 GLN HA H 4.112 0.02 1 1419 1042 136 GLN HB2 H 2.114 0.02 1 1420 1042 136 GLN HB3 H 2.198 0.02 1 1421 1042 136 GLN HG2 H 2.427 0.02 1 1422 1042 136 GLN HG3 H 2.343 0.02 1 1423 1042 136 GLN HE21 H 7.412 0.02 1 1424 1042 136 GLN HE22 H 6.666 0.02 1 1425 1042 136 GLN C C 176.483 0.2 1 1426 1042 136 GLN CA C 57.359 0.2 1 1427 1042 136 GLN CB C 29.857 0.2 1 1428 1042 136 GLN CG C 34.540 0.2 1 1429 1042 136 GLN N N 116.399 0.2 1 1430 1042 136 GLN NE2 N 111.449 0.2 1 1431 1043 137 GLU H H 7.525 0.02 1 1432 1043 137 GLU HA H 4.163 0.02 1 1433 1043 137 GLU HB2 H 1.927 0.02 1 1434 1043 137 GLU HB3 H 2.076 0.02 1 1435 1043 137 GLU HG2 H 2.224 0.02 1 1436 1043 137 GLU HG3 H 2.420 0.02 1 1437 1043 137 GLU C C 175.277 0.2 1 1438 1043 137 GLU CA C 56.566 0.2 1 1439 1043 137 GLU CB C 30.118 0.2 1 1440 1043 137 GLU CG C 36.491 0.2 1 1441 1043 137 GLU N N 118.471 0.2 1 1442 1044 138 ALA H H 7.305 0.02 1 1443 1044 138 ALA HA H 3.956 0.02 1 1444 1044 138 ALA HB H 1.309 0.02 1 1445 1044 138 ALA CA C 54.264 0.2 1 1446 1044 138 ALA CB C 19.940 0.2 1 1447 1044 138 ALA N N 128.683 0.2 1 stop_ save_