data_5677 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N assignment of the Focal Adhesion Targeting Domain of Focal Adhesion Kinase ; _BMRB_accession_number 5677 _BMRB_flat_file_name bmr5677.str _Entry_type original _Submission_date 2003-01-24 _Accession_date 2003-01-27 _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 Prutzman Kirk C . 2 Gao Guanghua . . 3 Schaller Michael D . 4 Campbell Sharon L . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 675 "13C chemical shifts" 560 "15N chemical shifts" 143 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-03-15 original author . stop_ _Original_release_date 2004-03-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR solution structure of the focal adhesion targeting domain of focal adhesion kinase in complex with a paxillin LD peptide: evidence for a two-site binding model. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14662767 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gao Guanghua . . 2 Prutzman Kirk C . 3 King M L . 4 Scheswohl D M . 5 DeRose E F . 6 London R E . 7 Schaller Michael D . 8 Campbell Sharon L . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 279 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8441 _Page_last 8451 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_FAT _Saveframe_category molecular_system _Mol_system_name 'focal adhesion targeting domain of focal adhesion kinase' _Abbreviation_common FAT _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FAT $FAT stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'binds paxillin' 'binds grb2' 'binds talin' 'targets FAK to focal adhesions' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FAT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'focal adhesion targeting domain' _Abbreviation_common FAT _Molecular_mass 15878 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 146 _Mol_residue_sequence ; GSPGISGGGGGIRSNDKVYE NVTGLVKAVIEMSSKIQPAP PEEYVPMVKEVGLALRTLLA TVDESLPVLPASTHREIEMA QKLLNSDLAELINKMKLAQQ YVMTSLQQEYKKQMLTAAHA LAVDAKNLLDVIDQARLKMI SQSRPH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 908 GLY 2 909 SER 3 910 PRO 4 911 GLY 5 912 ILE 6 913 SER 7 914 GLY 8 915 GLY 9 916 GLY 10 917 GLY 11 918 GLY 12 919 ILE 13 920 ARG 14 921 SER 15 922 ASN 16 923 ASP 17 924 LYS 18 925 VAL 19 926 TYR 20 927 GLU 21 928 ASN 22 929 VAL 23 930 THR 24 931 GLY 25 932 LEU 26 933 VAL 27 934 LYS 28 935 ALA 29 936 VAL 30 937 ILE 31 938 GLU 32 939 MET 33 940 SER 34 941 SER 35 942 LYS 36 943 ILE 37 944 GLN 38 945 PRO 39 946 ALA 40 947 PRO 41 948 PRO 42 949 GLU 43 950 GLU 44 951 TYR 45 952 VAL 46 953 PRO 47 954 MET 48 955 VAL 49 956 LYS 50 957 GLU 51 958 VAL 52 959 GLY 53 960 LEU 54 961 ALA 55 962 LEU 56 963 ARG 57 964 THR 58 965 LEU 59 966 LEU 60 967 ALA 61 968 THR 62 969 VAL 63 970 ASP 64 971 GLU 65 972 SER 66 973 LEU 67 974 PRO 68 975 VAL 69 976 LEU 70 977 PRO 71 978 ALA 72 979 SER 73 980 THR 74 981 HIS 75 982 ARG 76 983 GLU 77 984 ILE 78 985 GLU 79 986 MET 80 987 ALA 81 988 GLN 82 989 LYS 83 990 LEU 84 991 LEU 85 992 ASN 86 993 SER 87 994 ASP 88 995 LEU 89 996 ALA 90 997 GLU 91 998 LEU 92 999 ILE 93 1000 ASN 94 1001 LYS 95 1002 MET 96 1003 LYS 97 1004 LEU 98 1005 ALA 99 1006 GLN 100 1007 GLN 101 1008 TYR 102 1009 VAL 103 1010 MET 104 1011 THR 105 1012 SER 106 1013 LEU 107 1014 GLN 108 1015 GLN 109 1016 GLU 110 1017 TYR 111 1018 LYS 112 1019 LYS 113 1020 GLN 114 1021 MET 115 1022 LEU 116 1023 THR 117 1024 ALA 118 1025 ALA 119 1026 HIS 120 1027 ALA 121 1028 LEU 122 1029 ALA 123 1030 VAL 124 1031 ASP 125 1032 ALA 126 1033 LYS 127 1034 ASN 128 1035 LEU 129 1036 LEU 130 1037 ASP 131 1038 VAL 132 1039 ILE 133 1040 ASP 134 1041 GLN 135 1042 ALA 136 1043 ARG 137 1044 LEU 138 1045 LYS 139 1046 MET 140 1047 ILE 141 1048 SER 142 1049 GLN 143 1050 SER 144 1051 ARG 145 1052 PRO 146 1053 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 5266 FAT 91.78 139 100.00 100.00 1.54e-89 BMRB 5924 FAT 91.78 134 100.00 100.00 1.35e-89 PDB 1KTM "Solution Structure Of Fat Domain Of Focal Adhesion Kinase" 91.78 139 100.00 100.00 1.38e-89 PDB 1PV3 "Nmr Solution Structure Of The Avian Fat-Domain Of Focal Adhesion Kinase" 100.00 146 100.00 100.00 1.40e-99 PDB 1QVX "Solution Structure Of The Fat Domain Of Focal Adhesion Kinase" 91.78 134 100.00 100.00 1.35e-89 PDB 2L6F "Nmr Solution Structure Of Fat Domain Of Fak Complexed With Ld2 And Ld4 Motifs Of Paxillin" 91.78 215 100.00 100.00 8.92e-90 PDB 2L6G "Fat-ld2 Double Labeled Construct With Free Ld4 Peptide" 91.78 176 100.00 100.00 1.11e-88 PDB 2L6H "Fat Domain Of Focal Adhesion Kinase Tethered To Ld4 Motif Of Paxillin Via Ggs Linker" 91.78 180 100.00 100.00 7.63e-90 GB AAA48765 "focal adhesion kinase [Gallus gallus]" 91.78 1053 100.00 100.00 2.39e-80 GB AAA48773 "protein-tyrosine kinase [Gallus gallus]" 91.78 359 99.25 99.25 2.77e-84 GB EMC80181 "Focal adhesion kinase 1, partial [Columba livia]" 91.78 1043 99.25 100.00 8.52e-80 GB EOA99770 "Focal adhesion kinase 1, partial [Anas platyrhynchos]" 91.78 1068 99.25 100.00 4.53e-80 GB KFM11460 "Focal adhesion kinase 1, partial [Aptenodytes forsteri]" 91.78 1065 99.25 100.00 4.39e-80 REF NP_990766 "focal adhesion kinase 1 [Gallus gallus]" 91.78 1053 100.00 100.00 2.39e-80 REF XP_002191290 "PREDICTED: focal adhesion kinase 1 isoform 1 [Taeniopygia guttata]" 91.78 1051 97.76 99.25 3.76e-77 REF XP_004174254 "PREDICTED: focal adhesion kinase 1 isoform 2 [Taeniopygia guttata]" 91.78 1054 97.76 99.25 3.80e-77 REF XP_005021656 "PREDICTED: focal adhesion kinase 1 isoform X1 [Anas platyrhynchos]" 91.78 1099 99.25 100.00 5.59e-80 REF XP_005021657 "PREDICTED: focal adhesion kinase 1 isoform X2 [Anas platyrhynchos]" 91.78 1096 99.25 100.00 5.48e-80 SP Q00944 "RecName: Full=Focal adhesion kinase 1; Short=FADK 1; AltName: Full=Focal adhesion kinase-related nonkinase; Short=FRNK; Short=p" 91.78 1053 100.00 100.00 2.39e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FAT Chicken 9031 Eukaryota Metazoa Gallus gallus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $FAT 'recombinant technology' 'E. coli' Escherichia coli 'BL 21' plasmid pGEX stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FAT 0.85 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRview _Saveframe_category software _Name NMRview _Version 5.0.4 _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_FAT-cond _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 n/a temperature 310 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.00 internal direct cylindrical internal . 1.0 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $FAT-cond _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name FAT _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 . 1 GLY C C 174.573 0.05 1 2 . 2 SER N N 117.489 0.05 1 3 . 2 SER H H 8.518 0.02 1 4 . 3 PRO CA C 63.735 0.05 1 5 . 3 PRO CB C 32.179 0.05 1 6 . 3 PRO CG C 27.426 0.05 1 7 . 3 PRO CD C 51.139 0.05 1 8 . 4 GLY N N 108.914 0.05 1 9 . 4 GLY H H 8.453 0.02 1 10 . 4 GLY CA C 45.411 0.05 1 11 . 4 GLY C C 174.244 0.05 1 12 . 5 ILE N N 119.762 0.05 1 13 . 5 ILE H H 8.056 0.02 1 14 . 5 ILE CA C 61.188 0.05 1 15 . 5 ILE CB C 38.970 0.05 1 16 . 5 ILE CG1 C 27.288 0.05 2 17 . 5 ILE CD1 C 13.185 0.05 1 18 . 5 ILE CG2 C 17.679 0.05 1 19 . 5 ILE C C 176.575 0.05 1 20 . 6 SER N N 119.698 0.05 1 21 . 6 SER H H 8.498 0.02 1 22 . 6 SER CA C 58.568 0.05 1 23 . 6 SER CB C 63.896 0.05 1 24 . 6 SER C C 175.191 0.05 1 25 . 7 GLY N N 111.095 0.05 1 26 . 7 GLY H H 8.511 0.02 1 27 . 7 GLY CA C 45.560 0.05 1 28 . 10 GLY C C 174.851 0.05 1 29 . 11 GLY N N 108.842 0.05 1 30 . 11 GLY H H 8.374 0.02 1 31 . 11 GLY CA C 45.311 0.05 1 32 . 11 GLY HA3 H 4.019 0.02 1 33 . 11 GLY HA2 H 4.019 0.02 1 34 . 11 GLY C C 174.406 0.05 1 35 . 12 ILE N N 120.174 0.05 1 36 . 12 ILE H H 8.130 0.02 1 37 . 12 ILE CA C 61.488 0.05 1 38 . 12 ILE HA H 4.266 0.02 1 39 . 12 ILE CB C 38.670 0.05 1 40 . 12 ILE HB H 1.991 0.02 1 41 . 12 ILE CG1 C 27.495 0.05 2 42 . 12 ILE HG13 H 1.565 0.02 1 43 . 12 ILE HG12 H 1.307 0.02 1 44 . 12 ILE CD1 C 13.185 0.05 1 45 . 12 ILE HD1 H 1.003 0.02 1 46 . 12 ILE CG2 C 17.748 0.05 1 47 . 12 ILE HG2 H 1.026 0.02 1 48 . 12 ILE C C 176.523 0.05 1 49 . 13 ARG N N 123.953 0.05 1 50 . 13 ARG H H 8.437 0.02 1 51 . 13 ARG CA C 55.846 0.05 1 52 . 13 ARG HA H 4.491 0.02 1 53 . 13 ARG CB C 30.781 0.05 1 54 . 13 ARG HB3 H 1.905 0.02 2 55 . 13 ARG HB2 H 1.778 0.02 2 56 . 13 ARG CG C 27.091 0.05 1 57 . 13 ARG HG3 H 1.620 0.02 2 58 . 13 ARG HG2 H 1.518 0.02 2 59 . 13 ARG CD C 43.396 0.05 1 60 . 13 ARG HD3 H 3.156 0.02 2 61 . 13 ARG HD2 H 3.042 0.02 2 62 . 13 ARG C C 176.432 0.05 1 63 . 14 SER N N 116.715 0.05 1 64 . 14 SER H H 8.261 0.02 1 65 . 14 SER CA C 58.892 0.05 1 66 . 14 SER HA H 4.483 0.02 1 67 . 14 SER CB C 63.735 0.05 1 68 . 14 SER HB3 H 3.973 0.02 1 69 . 14 SER HB2 H 3.973 0.02 1 70 . 14 SER C C 174.680 0.05 1 71 . 15 ASN N N 120.485 0.05 1 72 . 15 ASN H H 8.702 0.02 1 73 . 15 ASN CA C 53.849 0.05 1 74 . 15 ASN HA H 4.768 0.02 1 75 . 15 ASN CB C 38.570 0.05 1 76 . 15 ASN HB3 H 3.008 0.02 2 77 . 15 ASN HB2 H 2.921 0.02 2 78 . 15 ASN ND2 N 112.345 0.05 1 79 . 15 ASN HD21 H 6.953 0.02 2 80 . 15 ASN HD22 H 7.687 0.02 2 81 . 15 ASN C C 174.927 0.05 1 82 . 16 ASP N N 120.031 0.05 1 83 . 16 ASP H H 8.260 0.02 1 84 . 16 ASP CA C 54.648 0.05 1 85 . 16 ASP HA H 4.817 0.02 1 86 . 16 ASP CB C 41.516 0.05 1 87 . 16 ASP HB3 H 3.029 0.02 2 88 . 16 ASP HB2 H 2.737 0.02 2 89 . 16 ASP C C 174.169 0.05 1 90 . 17 LYS N N 123.464 0.05 1 91 . 17 LYS H H 8.467 0.02 1 92 . 17 LYS CA C 58.549 0.05 1 93 . 17 LYS HA H 4.274 0.02 1 94 . 17 LYS CB C 32.488 0.05 1 95 . 17 LYS HB3 H 1.965 0.02 1 96 . 17 LYS HB2 H 1.965 0.02 1 97 . 17 LYS CG C 24.938 0.05 1 98 . 17 LYS HG3 H 1.641 0.02 1 99 . 17 LYS HG2 H 1.641 0.02 1 100 . 17 LYS CD C 29.016 0.05 1 101 . 17 LYS HD3 H 1.794 0.02 1 102 . 17 LYS HD2 H 1.794 0.02 1 103 . 17 LYS CE C 42.221 0.05 1 104 . 17 LYS HE3 H 3.119 0.02 1 105 . 17 LYS HE2 H 3.119 0.02 1 106 . 17 LYS C C 178.655 0.05 1 107 . 18 VAL N N 119.206 0.05 1 108 . 18 VAL H H 8.030 0.02 1 109 . 18 VAL CA C 66.681 0.05 1 110 . 18 VAL HA H 3.741 0.02 1 111 . 18 VAL CB C 31.231 0.05 1 112 . 18 VAL HB H 2.291 0.02 1 113 . 18 VAL CG2 C 22.518 0.05 1 114 . 18 VAL HG2 H 1.062 0.02 2 115 . 18 VAL CG1 C 21.204 0.05 1 116 . 18 VAL HG1 H 0.857 0.02 2 117 . 19 TYR N N 119.961 0.05 1 118 . 19 TYR H H 7.905 0.02 1 119 . 19 TYR CA C 61.987 0.05 1 120 . 19 TYR HA H 4.115 0.02 1 121 . 19 TYR CB C 38.271 0.05 1 122 . 19 TYR HB3 H 3.184 0.02 1 123 . 19 TYR HB2 H 3.184 0.02 1 124 . 19 TYR CD1 C 132.395 0.05 1 125 . 19 TYR HD1 H 7.193 0.02 1 126 . 19 TYR CE1 C 118.199 0.05 1 127 . 19 TYR HE1 H 6.930 0.02 1 128 . 19 TYR CE2 C 118.199 0.05 1 129 . 19 TYR HE2 H 6.930 0.02 1 130 . 19 TYR CD2 C 132.395 0.05 1 131 . 19 TYR HD2 H 7.193 0.02 1 132 . 19 TYR C C 178.709 0.05 1 133 . 20 GLU N N 121.034 0.05 1 134 . 20 GLU H H 8.593 0.02 1 135 . 20 GLU CA C 59.740 0.05 1 136 . 20 GLU HA H 4.028 0.02 1 137 . 20 GLU CB C 29.633 0.05 1 138 . 20 GLU HB3 H 2.424 0.02 1 139 . 20 GLU HB2 H 2.424 0.02 1 140 . 20 GLU CG C 36.275 0.05 1 141 . 20 GLU HG3 H 2.426 0.02 2 142 . 20 GLU HG2 H 2.574 0.02 2 143 . 20 GLU C C 179.280 0.05 1 144 . 21 ASN N N 118.370 0.05 1 145 . 21 ASN H H 8.468 0.02 1 146 . 21 ASN CA C 55.796 0.05 1 147 . 21 ASN HA H 4.755 0.02 1 148 . 21 ASN CB C 39.119 0.05 1 149 . 21 ASN HB3 H 3.084 0.02 2 150 . 21 ASN HB2 H 2.828 0.02 2 151 . 21 ASN ND2 N 110.082 0.05 1 152 . 21 ASN HD21 H 7.051 0.02 2 153 . 21 ASN HD22 H 7.436 0.02 2 154 . 22 VAL N N 122.466 0.05 1 155 . 22 VAL H H 8.823 0.02 1 156 . 22 VAL CA C 67.721 0.05 1 157 . 22 VAL HA H 3.705 0.02 1 158 . 22 VAL CB C 31.589 0.05 1 159 . 22 VAL HB H 2.264 0.02 1 160 . 22 VAL CG2 C 24.315 0.05 1 161 . 22 VAL HG2 H 1.127 0.02 2 162 . 22 VAL CG1 C 21.343 0.05 1 163 . 22 VAL HG1 H 0.924 0.02 2 164 . 22 VAL C C 177.250 0.05 1 165 . 23 THR N N 115.054 0.05 1 166 . 23 THR H H 8.352 0.02 1 167 . 23 THR CA C 67.180 0.05 1 168 . 23 THR HA H 3.840 0.02 1 169 . 23 THR CB C 68.472 0.05 1 170 . 23 THR HB H 4.250 0.02 1 171 . 23 THR CG2 C 21.688 0.05 1 172 . 23 THR HG2 H 1.204 0.02 1 173 . 23 THR C C 177.177 0.05 1 174 . 24 GLY N N 108.385 0.05 1 175 . 24 GLY H H 8.256 0.02 1 176 . 24 GLY CA C 47.308 0.05 1 177 . 24 GLY HA3 H 3.972 0.02 2 178 . 24 GLY HA2 H 4.149 0.02 2 179 . 24 GLY C C 176.522 0.05 1 180 . 25 LEU N N 123.753 0.05 1 181 . 25 LEU H H 7.867 0.02 1 182 . 25 LEU CA C 57.893 0.05 1 183 . 25 LEU HA H 4.319 0.02 1 184 . 25 LEU CB C 42.515 0.05 1 185 . 25 LEU HB3 H 1.852 0.02 1 186 . 25 LEU HB2 H 1.852 0.02 1 187 . 25 LEU CG C 25.995 0.05 1 188 . 25 LEU HG H 1.767 0.02 1 189 . 25 LEU HD1 H 1.029 0.02 1 190 . 25 LEU HD2 H 1.029 0.02 1 191 . 25 LEU C C 178.486 0.05 1 192 . 26 VAL N N 120.403 0.05 1 193 . 26 VAL H H 8.652 0.02 1 194 . 26 VAL CA C 67.779 0.05 1 195 . 26 VAL HA H 3.561 0.02 1 196 . 26 VAL CB C 31.430 0.05 1 197 . 26 VAL HB H 2.329 0.02 1 198 . 26 VAL CG2 C 23.901 0.05 1 199 . 26 VAL HG2 H 1.113 0.02 2 200 . 26 VAL CG1 C 22.241 0.05 1 201 . 26 VAL HG1 H 1.065 0.02 2 202 . 26 VAL C C 177.907 0.05 1 203 . 27 LYS N N 118.820 0.05 1 204 . 27 LYS H H 8.435 0.02 1 205 . 27 LYS CA C 60.290 0.05 1 206 . 27 LYS HA H 4.040 0.02 1 207 . 27 LYS CB C 32.279 0.05 1 208 . 27 LYS HB3 H 2.056 0.02 1 209 . 27 LYS HB2 H 2.056 0.02 1 210 . 27 LYS CG C 25.735 0.05 1 211 . 27 LYS HG3 H 1.532 0.02 1 212 . 27 LYS HG2 H 1.532 0.02 1 213 . 27 LYS CD C 29.787 0.05 1 214 . 27 LYS HD3 H 1.768 0.02 1 215 . 27 LYS HD2 H 1.768 0.02 1 216 . 27 LYS CE C 42.221 0.05 1 217 . 27 LYS HE3 H 3.063 0.02 1 218 . 27 LYS HE2 H 3.063 0.02 1 219 . 27 LYS C C 178.738 0.05 1 220 . 28 ALA N N 121.141 0.05 1 221 . 28 ALA H H 7.883 0.02 1 222 . 28 ALA CA C 55.397 0.05 1 223 . 28 ALA HA H 4.388 0.02 1 224 . 28 ALA CB C 17.690 0.05 1 225 . 28 ALA HB H 1.679 0.02 1 226 . 28 ALA C C 180.595 0.05 1 227 . 29 VAL N N 119.288 0.05 1 228 . 29 VAL H H 8.282 0.02 1 229 . 29 VAL CA C 67.315 0.05 1 230 . 29 VAL HA H 3.687 0.02 1 231 . 29 VAL CB C 31.643 0.05 1 232 . 29 VAL HB H 2.395 0.02 1 233 . 29 VAL CG2 C 23.970 0.05 1 234 . 29 VAL HG2 H 1.194 0.02 2 235 . 29 VAL CG1 C 22.034 0.05 1 236 . 29 VAL HG1 H 1.018 0.02 2 237 . 29 VAL C C 178.782 0.05 1 238 . 30 ILE N N 123.912 0.05 1 239 . 30 ILE H H 8.794 0.02 1 240 . 30 ILE CA C 66.021 0.05 1 241 . 30 ILE HA H 3.716 0.02 1 242 . 30 ILE CB C 37.950 0.05 1 243 . 30 ILE HB H 2.091 0.02 1 244 . 30 ILE CG1 C 29.639 0.05 2 245 . 30 ILE HG13 H 1.284 0.02 1 246 . 30 ILE HG12 H 1.284 0.02 1 247 . 30 ILE CD1 C 13.807 0.05 1 248 . 30 ILE HD1 H 0.916 0.02 1 249 . 30 ILE CG2 C 17.195 0.05 1 250 . 30 ILE HG2 H 1.027 0.02 1 251 . 30 ILE C C 179.275 0.05 1 252 . 31 GLU N N 121.746 0.05 1 253 . 31 GLU H H 8.731 0.02 1 254 . 31 GLU CA C 59.927 0.05 1 255 . 31 GLU CB C 29.313 0.05 1 256 . 32 MET CA C 59.209 0.05 1 257 . 32 MET HA H 4.280 0.02 1 258 . 32 MET CB C 32.770 0.05 1 259 . 32 MET HB3 H 2.778 0.02 1 260 . 32 MET HB2 H 2.778 0.02 1 261 . 32 MET HG3 H 2.588 0.02 1 262 . 32 MET HG2 H 2.588 0.02 1 263 . 32 MET C C 178.701 0.05 1 264 . 33 SER N N 114.089 0.05 1 265 . 33 SER H H 8.548 0.02 1 266 . 33 SER CA C 62.669 0.05 1 267 . 33 SER HA H 4.182 0.02 1 268 . 33 SER CB C 62.976 0.05 1 269 . 33 SER HB3 H 4.047 0.02 1 270 . 33 SER HB2 H 4.047 0.02 1 271 . 33 SER C C 176.213 0.05 1 272 . 34 SER N N 116.161 0.05 1 273 . 34 SER H H 7.985 0.02 1 274 . 34 SER CA C 60.839 0.05 1 275 . 34 SER HA H 4.527 0.02 1 276 . 34 SER CB C 63.574 0.05 1 277 . 34 SER HB3 H 4.177 0.02 1 278 . 34 SER HB2 H 4.177 0.02 1 279 . 34 SER C C 175.545 0.05 1 280 . 35 LYS N N 120.123 0.05 1 281 . 35 LYS H H 7.708 0.02 1 282 . 35 LYS CA C 57.288 0.05 1 283 . 35 LYS HA H 4.440 0.02 1 284 . 35 LYS CB C 33.920 0.05 1 285 . 35 LYS HB3 H 2.060 0.02 1 286 . 35 LYS HB2 H 2.060 0.02 1 287 . 35 LYS CG C 25.610 0.05 1 288 . 35 LYS HG3 H 1.635 0.02 1 289 . 35 LYS HG2 H 1.635 0.02 1 290 . 35 LYS CD C 29.669 0.05 1 291 . 35 LYS HD3 H 1.807 0.02 1 292 . 35 LYS HD2 H 1.807 0.02 1 293 . 35 LYS CE C 42.359 0.05 1 294 . 35 LYS HE3 H 3.097 0.02 1 295 . 35 LYS HE2 H 3.097 0.02 1 296 . 35 LYS C C 177.900 0.05 1 297 . 36 ILE N N 117.951 0.05 1 298 . 36 ILE H H 7.607 0.02 1 299 . 36 ILE CA C 64.342 0.05 1 300 . 36 ILE CB C 38.238 0.05 1 301 . 39 ALA N N 124.069 0.05 1 302 . 39 ALA H H 7.407 0.02 1 303 . 41 PRO CA C 64.374 0.05 1 304 . 41 PRO HA H 3.993 0.02 1 305 . 41 PRO CB C 31.725 0.05 1 306 . 41 PRO HB3 H 2.092 0.02 1 307 . 41 PRO HB2 H 2.092 0.02 1 308 . 41 PRO CG C 27.703 0.05 1 309 . 41 PRO CD C 50.586 0.05 1 310 . 41 PRO C C 177.971 0.05 1 311 . 42 GLU N N 116.400 0.05 1 312 . 42 GLU H H 9.345 0.02 1 313 . 42 GLU CA C 59.593 0.05 1 314 . 42 GLU HA H 4.139 0.02 1 315 . 42 GLU CB C 28.583 0.05 1 316 . 42 GLU HB3 H 2.145 0.02 1 317 . 42 GLU HB2 H 2.145 0.02 1 318 . 42 GLU CG C 36.828 0.05 1 319 . 42 GLU HG3 H 2.439 0.02 1 320 . 42 GLU HG2 H 2.439 0.02 1 321 . 43 GLU N N 116.774 0.05 1 322 . 43 GLU H H 8.079 0.02 1 323 . 43 GLU CA C 56.795 0.05 1 324 . 43 GLU HA H 4.566 0.02 1 325 . 43 GLU CB C 30.831 0.05 1 326 . 43 GLU HB3 H 2.396 0.02 1 327 . 43 GLU HB2 H 2.396 0.02 1 328 . 43 GLU CG C 36.621 0.05 1 329 . 43 GLU C C 177.680 0.05 1 330 . 44 TYR N N 117.283 0.05 1 331 . 44 TYR H H 7.962 0.02 1 332 . 44 TYR CA C 59.091 0.05 1 333 . 44 TYR HA H 4.735 0.02 1 334 . 44 TYR CB C 37.771 0.05 1 335 . 44 TYR HB3 H 3.340 0.02 2 336 . 44 TYR HB2 H 3.063 0.02 2 337 . 44 TYR CD1 C 132.035 0.05 1 338 . 44 TYR HD1 H 7.011 0.02 1 339 . 44 TYR CE1 C 117.774 0.05 1 340 . 44 TYR HE1 H 6.886 0.02 1 341 . 44 TYR CE2 C 117.774 0.05 1 342 . 44 TYR HE2 H 6.886 0.02 1 343 . 44 TYR CD2 C 132.035 0.05 1 344 . 44 TYR HD2 H 7.011 0.02 1 345 . 44 TYR C C 176.515 0.05 1 346 . 45 VAL N N 120.797 0.05 1 347 . 45 VAL H H 8.445 0.02 1 348 . 45 VAL CA C 68.661 0.05 1 349 . 46 PRO CA C 65.830 0.05 1 350 . 46 PRO HA H 4.411 0.02 1 351 . 46 PRO CB C 30.859 0.05 1 352 . 46 PRO HB3 H 2.080 0.02 2 353 . 46 PRO HB2 H 2.467 0.02 2 354 . 46 PRO CG C 28.071 0.05 1 355 . 46 PRO C C 179.531 0.05 1 356 . 47 MET N N 115.741 0.05 1 357 . 47 MET H H 7.401 0.02 1 358 . 47 MET CA C 59.543 0.05 1 359 . 47 MET HA H 4.399 0.02 1 360 . 47 MET CB C 33.223 0.05 1 361 . 47 MET HB3 H 3.075 0.02 2 362 . 47 MET HB2 H 33.750 0.02 2 363 . 47 MET CG C 32.996 0.05 1 364 . 47 MET HG3 H 2.741 0.02 1 365 . 47 MET HG2 H 2.741 0.02 1 366 . 47 MET C C 179.004 0.05 1 367 . 48 VAL N N 121.055 0.05 1 368 . 48 VAL H H 8.513 0.02 1 369 . 48 VAL CA C 66.714 0.05 1 370 . 48 VAL HA H 3.716 0.02 1 371 . 48 VAL CB C 31.514 0.05 1 372 . 48 VAL HB H 2.434 0.02 1 373 . 48 VAL CG2 C 24.241 0.05 1 374 . 48 VAL HG2 H 1.188 0.02 2 375 . 48 VAL CG1 C 21.915 0.05 1 376 . 48 VAL HG1 H 1.052 0.02 2 377 . 48 VAL C C 178.617 0.05 1 378 . 49 LYS N N 121.559 0.05 1 379 . 49 LYS H H 8.286 0.02 1 380 . 49 LYS CA C 59.992 0.05 1 381 . 49 LYS HA H 4.174 0.02 1 382 . 49 LYS CB C 31.972 0.05 1 383 . 49 LYS HB3 H 2.087 0.02 1 384 . 49 LYS HB2 H 2.087 0.02 1 385 . 49 LYS CG C 25.540 0.05 1 386 . 49 LYS HG3 H 1.437 0.02 1 387 . 49 LYS HG2 H 1.437 0.02 1 388 . 49 LYS CD C 29.850 0.05 1 389 . 49 LYS HD3 H 1.769 0.02 1 390 . 49 LYS HD2 H 1.769 0.02 1 391 . 49 LYS CE C 42.160 0.05 1 392 . 49 LYS HE3 H 3.042 0.02 1 393 . 49 LYS HE2 H 3.042 0.02 1 394 . 49 LYS C C 179.710 0.05 1 395 . 50 GLU N N 119.190 0.05 1 396 . 50 GLU H H 7.966 0.02 1 397 . 50 GLU CA C 59.694 0.05 1 398 . 50 GLU HA H 4.230 0.02 1 399 . 50 GLU CB C 29.395 0.05 1 400 . 50 GLU HB3 H 2.357 0.02 1 401 . 50 GLU HB2 H 2.357 0.02 1 402 . 50 GLU CG C 35.869 0.05 1 403 . 50 GLU HG3 H 2.563 0.02 1 404 . 50 GLU HG2 H 2.563 0.02 1 405 . 50 GLU C C 179.898 0.05 1 406 . 51 VAL N N 121.516 0.05 1 407 . 51 VAL H H 8.091 0.02 1 408 . 51 VAL CA C 66.865 0.05 1 409 . 51 VAL HA H 3.727 0.02 1 410 . 51 VAL CB C 31.567 0.05 1 411 . 51 VAL HB H 2.411 0.02 1 412 . 51 VAL CG2 C 24.036 0.05 1 413 . 51 VAL HG2 H 1.159 0.02 2 414 . 51 VAL CG1 C 22.189 0.05 1 415 . 51 VAL HG1 H 0.977 0.02 2 416 . 51 VAL C C 177.605 0.05 1 417 . 52 GLY N N 106.755 0.05 1 418 . 52 GLY H H 8.601 0.02 1 419 . 52 GLY CA C 47.845 0.05 1 420 . 52 GLY HA3 H 3.898 0.02 1 421 . 52 GLY HA2 H 3.898 0.02 1 422 . 52 GLY C C 176.290 0.05 1 423 . 53 LEU N N 123.374 0.05 1 424 . 53 LEU H H 8.227 0.02 1 425 . 53 LEU CA C 58.243 0.05 1 426 . 53 LEU HA H 4.252 0.02 1 427 . 53 LEU CB C 41.766 0.05 1 428 . 53 LEU HB3 H 1.905 0.02 1 429 . 53 LEU HB2 H 1.905 0.02 1 430 . 53 LEU CG C 27.012 0.05 1 431 . 53 LEU HG H 1.862 0.02 1 432 . 53 LEU CD1 C 24.799 0.05 1 433 . 53 LEU HD1 H 1.026 0.02 1 434 . 53 LEU CD2 C 23.970 0.05 1 435 . 53 LEU HD2 H 1.026 0.02 1 436 . 53 LEU C C 179.732 0.05 1 437 . 54 ALA N N 123.367 0.05 1 438 . 54 ALA H H 8.175 0.02 1 439 . 54 ALA CA C 55.097 0.05 1 440 . 54 ALA HA H 4.278 0.02 1 441 . 54 ALA CB C 17.655 0.05 1 442 . 54 ALA HB H 1.627 0.02 1 443 . 54 ALA C C 181.020 0.05 1 444 . 55 LEU N N 120.689 0.05 1 445 . 55 LEU H H 8.910 0.02 1 446 . 55 LEU CA C 58.043 0.05 1 447 . 55 LEU HA H 4.232 0.02 1 448 . 55 LEU CB C 41.416 0.05 1 449 . 55 LEU HB3 H 2.201 0.02 2 450 . 55 LEU HB2 H 1.774 0.02 2 451 . 55 LEU CG C 26.942 0.05 1 452 . 55 LEU HG H 1.808 0.02 1 453 . 55 LEU CD1 C 25.905 0.05 1 454 . 55 LEU HD1 H 1.135 0.02 1 455 . 55 LEU CD2 C 25.905 0.05 1 456 . 55 LEU HD2 H 1.135 0.02 1 457 . 55 LEU C C 178.084 0.05 1 458 . 56 ARG N N 120.339 0.05 1 459 . 56 ARG H H 8.599 0.02 1 460 . 56 ARG CA C 60.340 0.05 1 461 . 56 ARG HA H 4.079 0.02 1 462 . 56 ARG CB C 29.733 0.05 1 463 . 56 ARG HB3 H 2.150 0.02 1 464 . 56 ARG HB2 H 2.150 0.02 1 465 . 56 ARG CG C 27.703 0.05 1 466 . 56 ARG HG3 H 1.789 0.02 1 467 . 56 ARG HG2 H 1.789 0.02 1 468 . 56 ARG CD C 43.603 0.05 1 469 . 56 ARG HD3 H 3.336 0.02 1 470 . 56 ARG HD2 H 3.336 0.02 1 471 . 56 ARG C C 179.808 0.05 1 472 . 57 THR N N 116.996 0.05 1 473 . 57 THR H H 8.262 0.02 1 474 . 57 THR CA C 66.693 0.05 1 475 . 57 THR HA H 4.179 0.02 1 476 . 57 THR CB C 68.698 0.05 1 477 . 57 THR HB H 4.419 0.02 1 478 . 57 THR CG2 C 21.757 0.05 1 479 . 57 THR HG2 H 1.352 0.02 1 480 . 58 LEU N N 123.722 0.05 1 481 . 58 LEU H H 8.109 0.02 1 482 . 58 LEU CA C 58.500 0.05 1 483 . 58 LEU HA H 4.275 0.02 1 484 . 58 LEU CB C 41.219 0.05 1 485 . 58 LEU HB3 H 2.487 0.02 2 486 . 58 LEU HB2 H 1.593 0.02 2 487 . 58 LEU CG C 26.942 0.05 1 488 . 58 LEU HG H 1.003 0.02 1 489 . 58 LEU CD1 C 24.730 0.05 1 490 . 58 LEU CD2 C 24.730 0.05 1 491 . 58 LEU C C 177.891 0.05 1 492 . 59 LEU N N 118.339 0.05 1 493 . 59 LEU H H 8.973 0.02 1 494 . 59 LEU CA C 58.642 0.05 1 495 . 59 LEU HA H 3.956 0.02 1 496 . 59 LEU CB C 40.218 0.05 1 497 . 59 LEU HB3 H 2.041 0.02 2 498 . 59 LEU HB2 H 1.724 0.02 2 499 . 59 LEU CG C 25.905 0.05 1 500 . 59 LEU HG H 1.850 0.02 1 501 . 59 LEU CD1 C 22.587 0.05 1 502 . 59 LEU HD1 H 1.018 0.02 1 503 . 59 LEU CD2 C 22.587 0.05 1 504 . 59 LEU HD2 H 1.018 0.02 1 505 . 59 LEU C C 178.617 0.05 1 506 . 60 ALA N N 121.058 0.05 1 507 . 60 ALA H H 7.994 0.02 1 508 . 60 ALA CA C 55.222 0.05 1 509 . 60 ALA HA H 4.382 0.02 1 510 . 60 ALA CB C 17.996 0.05 1 511 . 60 ALA HB H 1.676 0.02 1 512 . 60 ALA C C 180.552 0.05 1 513 . 61 THR N N 116.668 0.05 1 514 . 61 THR H H 8.155 0.02 1 515 . 61 THR CA C 66.481 0.05 1 516 . 61 THR HA H 4.130 0.02 1 517 . 61 THR CB C 68.677 0.05 1 518 . 61 THR HB H 4.512 0.02 1 519 . 61 THR CG2 C 22.449 0.05 1 520 . 61 THR HG2 H 1.240 0.02 1 521 . 61 THR C C 177.556 0.05 1 522 . 62 VAL N N 124.165 0.05 1 523 . 62 VAL H H 8.562 0.02 1 524 . 62 VAL CA C 67.584 0.05 1 525 . 62 VAL HA H 3.502 0.02 1 526 . 62 VAL CB C 31.231 0.05 1 527 . 62 VAL HB H 2.345 0.02 1 528 . 62 VAL CG2 C 24.039 0.05 1 529 . 62 VAL HG2 H 1.087 0.02 2 530 . 62 VAL CG1 C 22.518 0.05 1 531 . 62 VAL HG1 H 0.931 0.02 2 532 . 62 VAL C C 177.678 0.05 1 533 . 63 ASP N N 120.669 0.05 1 534 . 63 ASP H H 8.356 0.02 1 535 . 63 ASP CA C 57.943 0.05 1 536 . 63 ASP HA H 4.514 0.02 1 537 . 63 ASP CB C 40.268 0.05 1 538 . 63 ASP HB3 H 3.010 0.02 2 539 . 63 ASP HB2 H 2.769 0.02 2 540 . 63 ASP C C 179.198 0.05 1 541 . 64 GLU N N 117.069 0.05 1 542 . 64 GLU H H 7.850 0.02 1 543 . 64 GLU CA C 58.293 0.05 1 544 . 64 GLU HA H 4.251 0.02 1 545 . 64 GLU CB C 29.932 0.05 1 546 . 64 GLU HB3 H 2.295 0.02 1 547 . 64 GLU HB2 H 2.295 0.02 1 548 . 64 GLU CG C 36.344 0.05 1 549 . 64 GLU HG3 H 2.543 0.02 1 550 . 64 GLU HG2 H 2.543 0.02 1 551 . 64 GLU C C 177.844 0.05 1 552 . 65 SER N N 113.775 0.05 1 553 . 65 SER H H 7.859 0.02 1 554 . 65 SER CA C 59.940 0.05 1 555 . 65 SER HA H 4.589 0.02 1 556 . 65 SER CB C 64.184 0.05 1 557 . 65 SER HB3 H 3.966 0.02 2 558 . 65 SER HB2 H 4.055 0.02 2 559 . 65 SER C C 174.228 0.05 1 560 . 66 LEU N N 122.623 0.05 1 561 . 66 LEU H H 7.614 0.02 1 562 . 66 LEU CA C 59.341 0.05 1 563 . 66 LEU CB C 40.318 0.05 1 564 . 67 PRO CA C 65.604 0.05 1 565 . 67 PRO HA H 4.585 0.02 1 566 . 67 PRO CB C 31.999 0.05 1 567 . 67 PRO HB3 H 1.916 0.02 2 568 . 67 PRO HB2 H 2.549 0.02 2 569 . 67 PRO CG C 28.256 0.05 1 570 . 67 PRO HG3 H 2.094 0.02 1 571 . 67 PRO HG2 H 2.094 0.02 1 572 . 67 PRO CD C 50.793 0.05 1 573 . 67 PRO C C 177.923 0.05 1 574 . 68 VAL N N 110.516 0.05 1 575 . 68 VAL H H 7.627 0.02 1 576 . 68 VAL CA C 61.638 0.05 1 577 . 68 VAL HA H 4.462 0.02 1 578 . 68 VAL CB C 31.980 0.05 1 579 . 68 VAL HB H 2.524 0.02 1 580 . 68 VAL CG2 C 21.556 0.05 1 581 . 68 VAL HG2 H 1.117 0.02 2 582 . 68 VAL CG1 C 20.159 0.05 1 583 . 68 VAL C C 176.008 0.05 1 584 . 69 LEU N N 123.054 0.05 1 585 . 69 LEU H H 7.898 0.02 1 586 . 69 LEU CA C 52.700 0.05 1 587 . 69 LEU CB C 41.616 0.05 1 588 . 71 ALA N N 110.919 0.05 1 589 . 71 ALA H H 8.624 0.02 1 590 . 72 SER CA C 60.679 0.05 1 591 . 72 SER HA H 4.349 0.02 1 592 . 72 SER CB C 62.407 0.05 1 593 . 72 SER HB3 H 4.189 0.02 1 594 . 72 SER HB2 H 4.189 0.02 1 595 . 72 SER C C 176.047 0.05 1 596 . 73 THR N N 113.403 0.05 1 597 . 73 THR H H 8.057 0.02 1 598 . 73 THR CA C 63.168 0.05 1 599 . 73 THR HA H 4.710 0.02 1 600 . 73 THR CB C 70.635 0.05 1 601 . 73 THR HB H 4.451 0.02 1 602 . 73 THR CG2 C 23.140 0.05 1 603 . 73 THR HG2 H 1.399 0.02 1 604 . 74 HIS N N 120.125 0.05 1 605 . 74 HIS H H 7.891 0.02 1 606 . 74 HIS CA C 59.227 0.05 1 607 . 74 HIS HA H 4.313 0.02 1 608 . 74 HIS CB C 29.569 0.05 1 609 . 74 HIS HB3 H 3.400 0.02 1 610 . 74 HIS HB2 H 3.400 0.02 1 611 . 74 HIS CD2 C 116.951 0.05 1 612 . 74 HIS HD2 H 6.987 0.02 3 613 . 74 HIS C C 177.063 0.05 1 614 . 75 ARG N N 119.557 0.05 1 615 . 75 ARG H H 8.778 0.02 1 616 . 75 ARG CA C 59.740 0.05 1 617 . 75 ARG HA H 4.322 0.02 1 618 . 75 ARG CB C 29.383 0.05 1 619 . 75 ARG HB3 H 2.058 0.02 1 620 . 75 ARG HB2 H 2.058 0.02 1 621 . 75 ARG CG C 27.081 0.05 1 622 . 75 ARG HG3 H 1.819 0.02 1 623 . 75 ARG HG2 H 1.819 0.02 1 624 . 75 ARG CD C 43.396 0.05 1 625 . 75 ARG HD3 H 3.379 0.02 1 626 . 75 ARG HD2 H 3.379 0.02 1 627 . 75 ARG C C 178.760 0.05 1 628 . 76 GLU N N 119.070 0.05 1 629 . 76 GLU H H 8.284 0.02 1 630 . 76 GLU CA C 59.740 0.05 1 631 . 76 GLU HA H 4.207 0.02 1 632 . 76 GLU CB C 29.633 0.05 1 633 . 76 GLU HB3 H 2.204 0.02 1 634 . 76 GLU HB2 H 2.204 0.02 1 635 . 76 GLU CG C 36.967 0.05 1 636 . 76 GLU HG3 H 2.498 0.02 1 637 . 76 GLU HG2 H 2.498 0.02 1 638 . 76 GLU C C 179.921 0.05 1 639 . 77 ILE N N 121.178 0.05 1 640 . 77 ILE H H 7.949 0.02 1 641 . 77 ILE CA C 65.732 0.05 1 642 . 77 ILE HA H 3.685 0.02 1 643 . 77 ILE CB C 37.821 0.05 1 644 . 77 ILE HB H 2.005 0.02 1 645 . 77 ILE CG1 C 30.122 0.05 2 646 . 77 ILE HG13 H 0.971 0.02 1 647 . 77 ILE HG12 H 0.971 0.02 1 648 . 77 ILE CD1 C 14.429 0.05 1 649 . 77 ILE HD1 H 0.854 0.02 1 650 . 77 ILE CG2 C 18.024 0.05 1 651 . 77 ILE HG2 H 0.854 0.02 1 652 . 77 ILE C C 177.438 0.05 1 653 . 78 GLU N N 120.979 0.05 1 654 . 78 GLU H H 8.777 0.02 1 655 . 78 GLU CA C 59.641 0.05 1 656 . 78 GLU HA H 4.386 0.02 1 657 . 78 GLU CB C 29.471 0.05 1 658 . 78 GLU HB3 H 2.369 0.02 1 659 . 78 GLU HB2 H 2.369 0.02 1 660 . 78 GLU CG C 36.344 0.05 1 661 . 78 GLU HG3 H 2.527 0.02 1 662 . 78 GLU HG2 H 2.527 0.02 1 663 . 78 GLU C C 180.382 0.05 1 664 . 79 MET N N 118.328 0.05 1 665 . 79 MET H H 8.371 0.02 1 666 . 79 MET CA C 58.592 0.05 1 667 . 79 MET HA H 4.340 0.02 1 668 . 79 MET CB C 32.279 0.05 1 669 . 79 MET HB3 H 2.311 0.02 1 670 . 79 MET HB2 H 2.311 0.02 1 671 . 79 MET CG C 32.279 0.05 1 672 . 79 MET C C 178.572 0.05 1 673 . 80 ALA N N 123.100 0.05 1 674 . 80 ALA H H 7.931 0.02 1 675 . 80 ALA CA C 55.147 0.05 1 676 . 80 ALA HA H 4.323 0.02 1 677 . 80 ALA CB C 18.748 0.05 1 678 . 80 ALA HB H 1.720 0.02 1 679 . 80 ALA C C 180.627 0.05 1 680 . 81 GLN N N 118.010 0.05 1 681 . 81 GLN H H 8.696 0.02 1 682 . 81 GLN CA C 60.208 0.05 1 683 . 81 GLN HA H 4.128 0.02 1 684 . 81 GLN CB C 29.965 0.05 1 685 . 81 GLN HB3 H 2.035 0.02 1 686 . 81 GLN HB2 H 2.035 0.02 1 687 . 81 GLN CG C 35.771 0.05 1 688 . 81 GLN HG3 H 2.791 0.02 1 689 . 81 GLN HG2 H 2.791 0.02 1 690 . 81 GLN NE2 N 108.851 0.05 1 691 . 81 GLN HE21 H 5.954 0.02 2 692 . 81 GLN HE22 H 7.482 0.02 2 693 . 82 LYS N N 119.787 0.05 1 694 . 82 LYS H H 8.156 0.02 1 695 . 82 LYS CA C 59.890 0.05 1 696 . 82 LYS HA H 4.196 0.02 1 697 . 82 LYS CB C 32.429 0.05 1 698 . 82 LYS HB3 H 2.131 0.02 1 699 . 82 LYS HB2 H 2.131 0.02 1 700 . 82 LYS CG C 25.620 0.05 1 701 . 82 LYS HG3 H 1.607 0.02 1 702 . 82 LYS HG2 H 1.607 0.02 1 703 . 82 LYS CD C 29.802 0.05 1 704 . 82 LYS HD3 H 1.826 0.02 1 705 . 82 LYS HD2 H 1.826 0.02 1 706 . 82 LYS CE C 42.359 0.05 1 707 . 82 LYS HE3 H 3.117 0.02 1 708 . 82 LYS HE2 H 3.117 0.02 1 709 . 82 LYS C C 179.920 0.05 1 710 . 83 LEU N N 121.263 0.05 1 711 . 83 LEU H H 8.049 0.02 1 712 . 83 LEU CA C 57.943 0.05 1 713 . 83 LEU HA H 4.239 0.02 1 714 . 83 LEU CB C 41.716 0.05 1 715 . 83 LEU HB3 H 1.839 0.02 1 716 . 83 LEU HB2 H 1.839 0.02 1 717 . 83 LEU CG C 27.008 0.05 1 718 . 83 LEU HG H 1.839 0.02 1 719 . 83 LEU CD1 C 24.484 0.05 1 720 . 83 LEU HD1 H 1.024 0.02 1 721 . 83 LEU CD2 C 24.484 0.05 1 722 . 83 LEU HD2 H 1.024 0.02 1 723 . 83 LEU C C 178.895 0.05 1 724 . 84 LEU N N 118.273 0.05 1 725 . 84 LEU H H 7.879 0.02 1 726 . 84 LEU CA C 58.243 0.05 1 727 . 84 LEU HA H 4.279 0.02 1 728 . 84 LEU CB C 41.716 0.05 1 729 . 84 LEU HB3 H 1.655 0.02 1 730 . 84 LEU HB2 H 1.655 0.02 1 731 . 84 LEU CG C 27.081 0.05 1 732 . 84 LEU CD1 C 24.868 0.05 1 733 . 84 LEU CD2 C 24.868 0.05 1 734 . 85 ASN N N 116.774 0.05 1 735 . 85 ASN H H 8.079 0.02 1 736 . 85 ASN CA C 56.845 0.05 1 737 . 85 ASN HA H 4.603 0.02 1 738 . 85 ASN CB C 38.820 0.05 1 739 . 85 ASN HB3 H 2.972 0.02 2 740 . 85 ASN HB2 H 2.887 0.02 2 741 . 85 ASN ND2 N 111.579 0.05 1 742 . 85 ASN HD21 H 6.735 0.02 2 743 . 85 ASN HD22 H 7.432 0.02 2 744 . 85 ASN C C 179.149 0.05 1 745 . 86 SER N N 118.381 0.05 1 746 . 86 SER H H 8.425 0.02 1 747 . 86 SER CA C 62.071 0.05 1 748 . 86 SER HA H 4.435 0.02 1 749 . 86 SER CB C 62.543 0.05 1 750 . 86 SER HB3 H 4.207 0.02 1 751 . 86 SER HB2 H 4.207 0.02 1 752 . 86 SER C C 177.052 0.05 1 753 . 87 ASP N N 123.233 0.05 1 754 . 87 ASP H H 9.041 0.02 1 755 . 87 ASP CA C 56.037 0.05 1 756 . 87 ASP HA H 4.571 0.02 1 757 . 87 ASP CB C 38.702 0.05 1 758 . 87 ASP HB3 H 3.408 0.02 2 759 . 87 ASP HB2 H 2.717 0.02 2 760 . 87 ASP C C 178.867 0.05 1 761 . 88 LEU N N 121.879 0.05 1 762 . 88 LEU H H 8.399 0.02 1 763 . 88 LEU CA C 58.085 0.05 1 764 . 88 LEU HA H 4.178 0.02 1 765 . 88 LEU CB C 40.940 0.05 1 766 . 88 LEU CG C 26.757 0.05 1 767 . 88 LEU CD1 C 23.134 0.05 1 768 . 88 LEU CD2 C 23.134 0.05 1 769 . 88 LEU C C 177.487 0.05 1 770 . 89 ALA N N 120.977 0.05 1 771 . 89 ALA H H 7.951 0.02 1 772 . 89 ALA CA C 55.418 0.05 1 773 . 89 ALA HA H 4.158 0.02 1 774 . 89 ALA CB C 17.624 0.05 1 775 . 89 ALA HB H 1.673 0.02 1 776 . 89 ALA C C 180.509 0.05 1 777 . 90 GLU N N 118.786 0.05 1 778 . 90 GLU H H 8.154 0.02 1 779 . 90 GLU CA C 59.085 0.05 1 780 . 90 GLU HA H 4.431 0.02 1 781 . 90 GLU CB C 29.368 0.05 1 782 . 90 GLU HB3 H 2.391 0.02 1 783 . 90 GLU HB2 H 2.391 0.02 1 784 . 90 GLU CG C 35.584 0.05 1 785 . 90 GLU HG3 H 2.566 0.02 1 786 . 90 GLU HG2 H 2.566 0.02 1 787 . 90 GLU C C 178.104 0.05 1 788 . 91 LEU N N 121.020 0.05 1 789 . 91 LEU H H 8.138 0.02 1 790 . 91 LEU CA C 58.990 0.05 1 791 . 91 LEU HA H 4.051 0.02 1 792 . 91 LEU CB C 41.893 0.05 1 793 . 91 LEU HB3 H 1.549 0.02 1 794 . 91 LEU HB2 H 1.549 0.02 1 795 . 91 LEU CG C 26.871 0.05 1 796 . 91 LEU CD1 C 24.470 0.05 1 797 . 91 LEU CD2 C 24.470 0.05 1 798 . 91 LEU C C 177.983 0.05 1 799 . 92 ILE N N 118.561 0.05 1 800 . 92 ILE H H 8.612 0.02 1 801 . 92 ILE CA C 65.657 0.05 1 802 . 92 ILE HA H 3.731 0.02 1 803 . 92 ILE CB C 37.940 0.05 1 804 . 92 ILE HB H 2.021 0.02 1 805 . 92 ILE CG1 C 29.777 0.05 2 806 . 92 ILE HG13 H 1.153 0.02 1 807 . 92 ILE HG12 H 1.153 0.02 1 808 . 92 ILE CD1 C 13.393 0.05 1 809 . 92 ILE HD1 H 0.934 0.02 1 810 . 92 ILE CG2 C 17.471 0.05 1 811 . 92 ILE HG2 H 1.065 0.02 1 812 . 92 ILE C C 178.063 0.05 1 813 . 93 ASN N N 118.752 0.05 1 814 . 93 ASN H H 8.426 0.02 1 815 . 93 ASN CA C 56.608 0.05 1 816 . 93 ASN HA H 4.571 0.02 1 817 . 93 ASN CB C 38.607 0.05 1 818 . 93 ASN HB3 H 3.143 0.02 2 819 . 93 ASN HB2 H 2.987 0.02 2 820 . 93 ASN ND2 N 112.034 0.05 1 821 . 93 ASN HD21 H 6.937 0.02 2 822 . 93 ASN HD22 H 7.670 0.02 2 823 . 93 ASN C C 178.747 0.05 1 824 . 94 LYS N N 117.286 0.05 1 825 . 94 LYS H H 8.730 0.02 1 826 . 94 LYS CA C 57.704 0.05 1 827 . 94 LYS CB C 30.987 0.05 1 828 . 94 LYS CG C 25.145 0.05 1 829 . 94 LYS CD C 27.565 0.05 1 830 . 94 LYS CE C 42.981 0.05 1 831 . 94 LYS C C 178.482 0.05 1 832 . 95 MET N N 122.390 0.05 1 833 . 95 MET H H 8.693 0.02 1 834 . 95 MET CA C 59.704 0.05 1 835 . 95 MET CB C 33.355 0.05 1 836 . 95 MET CG C 31.574 0.05 1 837 . 95 MET C C 178.244 0.05 1 838 . 96 LYS N N 119.027 0.05 1 839 . 96 LYS H H 8.372 0.02 1 840 . 96 LYS CA C 59.783 0.05 1 841 . 96 LYS HA H 4.228 0.02 1 842 . 96 LYS CB C 32.135 0.05 1 843 . 96 LYS HB3 H 2.027 0.02 1 844 . 96 LYS HB2 H 2.027 0.02 1 845 . 96 LYS CG C 25.718 0.05 1 846 . 96 LYS HG3 H 1.582 0.02 1 847 . 96 LYS HG2 H 1.582 0.02 1 848 . 96 LYS CD C 29.625 0.05 1 849 . 96 LYS HD3 H 1.848 0.02 1 850 . 96 LYS HD2 H 1.848 0.02 1 851 . 96 LYS CE C 42.221 0.05 1 852 . 96 LYS HE3 H 3.056 0.02 1 853 . 96 LYS HE2 H 3.056 0.02 1 854 . 96 LYS C C 180.472 0.05 1 855 . 97 LEU N N 120.792 0.05 1 856 . 97 LEU H H 7.703 0.02 1 857 . 97 LEU CA C 57.942 0.05 1 858 . 97 LEU HA H 4.139 0.02 1 859 . 97 LEU CB C 41.131 0.05 1 860 . 97 LEU HB3 H 1.641 0.02 1 861 . 97 LEU HB2 H 1.641 0.02 1 862 . 97 LEU CG C 26.744 0.05 1 863 . 97 LEU CD1 C 25.867 0.05 1 864 . 97 LEU CD2 C 23.120 0.05 1 865 . 97 LEU C C 178.426 0.05 1 866 . 98 ALA N N 121.436 0.05 1 867 . 98 ALA H H 8.506 0.02 1 868 . 98 ALA CA C 56.132 0.05 1 869 . 98 ALA HA H 4.154 0.02 1 870 . 98 ALA CB C 17.557 0.05 1 871 . 98 ALA HB H 1.529 0.02 1 872 . 98 ALA C C 179.810 0.05 1 873 . 99 GLN N N 114.512 0.05 1 874 . 99 GLN H H 8.194 0.02 1 875 . 99 GLN CA C 58.656 0.05 1 876 . 99 GLN HA H 4.203 0.02 1 877 . 99 GLN CB C 29.749 0.05 1 878 . 99 GLN HB3 H 2.410 0.02 1 879 . 99 GLN HB2 H 2.410 0.02 1 880 . 99 GLN CG C 34.962 0.05 1 881 . 99 GLN HG3 H 2.723 0.02 1 882 . 99 GLN HG2 H 2.723 0.02 1 883 . 99 GLN NE2 N 109.841 0.05 1 884 . 99 GLN HE21 H 6.640 0.02 2 885 . 99 GLN HE22 H 7.392 0.02 2 886 . 99 GLN C C 178.515 0.05 1 887 . 100 GLN N N 119.753 0.05 1 888 . 100 GLN H H 8.107 0.02 1 889 . 100 GLN CA C 58.008 0.05 1 890 . 100 GLN HA H 4.107 0.02 1 891 . 100 GLN CB C 28.977 0.05 1 892 . 100 GLN HB3 H 1.981 0.02 1 893 . 100 GLN HB2 H 1.981 0.02 1 894 . 100 GLN CG C 33.579 0.05 1 895 . 100 GLN HG3 H 2.308 0.02 1 896 . 100 GLN HG2 H 2.308 0.02 1 897 . 100 GLN NE2 N 110.017 0.05 1 898 . 100 GLN HE21 H 6.723 0.02 2 899 . 100 GLN HE22 H 7.079 0.02 2 900 . 100 GLN C C 177.363 0.05 1 901 . 101 TYR N N 115.940 0.05 1 902 . 101 TYR H H 7.897 0.02 1 903 . 101 TYR CA C 58.605 0.05 1 904 . 101 TYR HA H 4.759 0.02 1 905 . 101 TYR CB C 37.450 0.05 1 906 . 101 TYR HB3 H 3.472 0.02 2 907 . 101 TYR HB2 H 2.747 0.02 2 908 . 101 TYR CD1 C 133.345 0.05 1 909 . 101 TYR HD1 H 7.427 0.02 1 910 . 101 TYR CE1 C 117.690 0.05 1 911 . 101 TYR HE1 H 6.843 0.02 1 912 . 101 TYR CE2 C 117.690 0.05 1 913 . 101 TYR HE2 H 6.843 0.02 1 914 . 101 TYR CD2 C 133.345 0.05 1 915 . 101 TYR HD2 H 7.427 0.02 1 916 . 101 TYR C C 176.293 0.05 1 917 . 102 VAL N N 121.129 0.05 1 918 . 102 VAL H H 7.368 0.02 1 919 . 102 VAL CA C 64.125 0.05 1 920 . 102 VAL HA H 4.471 0.02 1 921 . 102 VAL CB C 32.238 0.05 1 922 . 102 VAL HB H 2.519 0.02 1 923 . 102 VAL CG2 C 21.552 0.05 1 924 . 102 VAL HG2 H 1.232 0.02 1 925 . 102 VAL CG1 C 20.919 0.05 1 926 . 102 VAL HG1 H 1.232 0.02 1 927 . 102 VAL C C 175.142 0.05 1 928 . 103 MET N N 118.411 0.05 1 929 . 103 MET H H 8.700 0.02 1 930 . 103 MET CA C 56.424 0.05 1 931 . 103 MET HA H 4.643 0.02 1 932 . 103 MET CB C 31.104 0.05 1 933 . 103 MET HB3 H 2.764 0.02 1 934 . 103 MET HB2 H 2.764 0.02 1 935 . 103 MET CG C 33.039 0.05 1 936 . 103 MET HG3 H 2.882 0.02 1 937 . 103 MET HG2 H 2.882 0.02 1 938 . 104 THR N N 110.603 0.05 1 939 . 104 THR H H 8.133 0.02 1 940 . 105 SER CA C 60.841 0.05 1 941 . 105 SER CB C 62.816 0.05 1 942 . 105 SER C C 175.967 0.05 1 943 . 106 LEU N N 122.025 0.05 1 944 . 106 LEU H H 7.968 0.02 1 945 . 106 LEU CA C 56.032 0.05 1 946 . 106 LEU HA H 4.451 0.02 1 947 . 106 LEU CB C 42.212 0.05 1 948 . 106 LEU HB3 H 1.551 0.02 2 949 . 106 LEU HB2 H 1.745 0.02 2 950 . 106 LEU CG C 25.154 0.05 1 951 . 106 LEU HG H 1.738 0.02 1 952 . 106 LEU CD1 C 23.140 0.05 1 953 . 106 LEU CD2 C 23.140 0.05 1 954 . 107 GLN N N 120.073 0.05 1 955 . 107 GLN H H 7.897 0.02 1 956 . 107 GLN CA C 60.643 0.05 1 957 . 107 GLN HA H 4.098 0.02 1 958 . 107 GLN CB C 28.519 0.05 1 959 . 107 GLN HB3 H 2.759 0.02 2 960 . 107 GLN HB2 H 2.455 0.02 2 961 . 107 GLN CG C 34.201 0.05 1 962 . 107 GLN HG3 H 2.852 0.02 2 963 . 107 GLN HG2 H 2.596 0.02 2 964 . 107 GLN NE2 N 111.951 0.05 1 965 . 107 GLN HE21 H 7.320 0.02 2 966 . 107 GLN HE22 H 7.817 0.02 2 967 . 107 GLN C C 178.330 0.05 1 968 . 108 GLN N N 116.384 0.05 1 969 . 108 GLN H H 8.416 0.02 1 970 . 108 GLN CA C 58.806 0.05 1 971 . 108 GLN HA H 4.228 0.02 1 972 . 108 GLN CB C 28.131 0.05 1 973 . 108 GLN HB3 H 2.345 0.02 2 974 . 108 GLN CG C 34.063 0.05 1 975 . 108 GLN HG3 H 2.644 0.02 2 976 . 108 GLN NE2 N 111.756 0.05 1 977 . 108 GLN HE21 H 7.077 0.02 2 978 . 108 GLN HE22 H 7.640 0.02 2 979 . 108 GLN C C 178.491 0.05 1 980 . 109 GLU N N 120.980 0.05 1 981 . 109 GLU H H 7.683 0.02 1 982 . 109 GLU CA C 58.806 0.05 1 983 . 109 GLU HA H 4.209 0.02 1 984 . 109 GLU CB C 28.759 0.05 1 985 . 109 GLU HB3 H 1.861 0.02 2 986 . 109 GLU HB2 H 2.225 0.02 2 987 . 109 GLU CG C 34.962 0.05 1 988 . 109 GLU HG3 H 2.225 0.02 2 989 . 109 GLU HG2 H 2.020 0.02 2 990 . 109 GLU C C 179.013 0.05 1 991 . 110 TYR N N 117.399 0.05 1 992 . 110 TYR H H 7.970 0.02 1 993 . 110 TYR CA C 62.052 0.05 1 994 . 110 TYR HA H 4.478 0.02 1 995 . 110 TYR CB C 37.344 0.05 1 996 . 110 TYR HB3 H 3.290 0.02 2 997 . 110 TYR HB2 H 2.795 0.02 2 998 . 110 TYR HD1 H 7.053 0.02 1 999 . 110 TYR CE1 C 118.388 0.05 1 1000 . 110 TYR HE1 H 6.613 0.02 1 1001 . 110 TYR CE2 C 118.388 0.05 1 1002 . 110 TYR HE2 H 6.613 0.02 1 1003 . 110 TYR HD2 H 7.053 0.02 1 1004 . 110 TYR C C 178.914 0.05 1 1005 . 111 LYS N N 121.878 0.05 1 1006 . 111 LYS H H 8.522 0.02 1 1007 . 111 LYS CA C 60.743 0.05 1 1008 . 111 LYS HA H 4.275 0.02 1 1009 . 111 LYS CB C 32.737 0.05 1 1010 . 111 LYS HB3 H 1.973 0.02 1 1011 . 111 LYS HB2 H 1.973 0.02 1 1012 . 111 LYS CG C 25.975 0.05 1 1013 . 111 LYS HG3 H 1.640 0.02 1 1014 . 111 LYS HG2 H 1.640 0.02 1 1015 . 111 LYS CD C 30.606 0.05 1 1016 . 111 LYS HD3 H 1.928 0.02 1 1017 . 111 LYS HD2 H 1.928 0.02 1 1018 . 111 LYS CE C 42.704 0.05 1 1019 . 111 LYS HE3 H 3.119 0.02 1 1020 . 111 LYS HE2 H 3.119 0.02 1 1021 . 111 LYS C C 178.548 0.05 1 1022 . 112 LYS N N 119.488 0.05 1 1023 . 112 LYS H H 8.006 0.02 1 1024 . 112 LYS CA C 60.359 0.05 1 1025 . 112 LYS HA H 4.098 0.02 1 1026 . 112 LYS CB C 31.856 0.05 1 1027 . 112 LYS HB3 H 2.139 0.02 1 1028 . 112 LYS HB2 H 2.139 0.02 1 1029 . 112 LYS CG C 25.283 0.05 1 1030 . 112 LYS HG3 H 1.524 0.02 1 1031 . 112 LYS HG2 H 1.524 0.02 1 1032 . 112 LYS CD C 29.569 0.05 1 1033 . 112 LYS HD3 H 1.800 0.02 1 1034 . 112 LYS HD2 H 1.800 0.02 1 1035 . 112 LYS CE C 42.082 0.05 1 1036 . 112 LYS HE3 H 3.053 0.02 1 1037 . 112 LYS HE2 H 3.053 0.02 1 1038 . 112 LYS C C 179.825 0.05 1 1039 . 113 GLN N N 118.470 0.05 1 1040 . 113 GLN H H 8.026 0.02 1 1041 . 113 GLN CA C 59.434 0.05 1 1042 . 113 GLN HA H 4.285 0.02 1 1043 . 113 GLN CB C 28.256 0.05 1 1044 . 113 GLN HB3 H 2.333 0.02 1 1045 . 113 GLN HB2 H 2.333 0.02 1 1046 . 113 GLN CG C 34.063 0.05 1 1047 . 113 GLN HG3 H 2.587 0.02 1 1048 . 113 GLN HG2 H 2.587 0.02 1 1049 . 113 GLN NE2 N 110.929 0.05 1 1050 . 113 GLN HE21 H 6.621 0.02 2 1051 . 113 GLN HE22 H 7.817 0.02 2 1052 . 113 GLN C C 179.969 0.05 1 1053 . 114 MET N N 122.195 0.05 1 1054 . 114 MET H H 8.532 0.02 1 1055 . 114 MET CA C 60.126 0.05 1 1056 . 114 MET HA H 3.997 0.02 1 1057 . 114 MET CB C 32.888 0.05 1 1058 . 114 MET HB3 H 2.328 0.02 1 1059 . 114 MET HB2 H 2.328 0.02 1 1060 . 114 MET CG C 32.404 0.05 1 1061 . 114 MET HG3 H 2.676 0.02 1 1062 . 114 MET HG2 H 2.676 0.02 1 1063 . 114 MET C C 177.592 0.05 1 1064 . 115 LEU N N 120.014 0.05 1 1065 . 115 LEU H H 8.296 0.02 1 1066 . 115 LEU CA C 58.488 0.05 1 1067 . 115 LEU HA H 4.066 0.02 1 1068 . 115 LEU CB C 40.925 0.05 1 1069 . 115 LEU HB3 H 2.152 0.02 2 1070 . 115 LEU HB2 H 1.739 0.02 2 1071 . 115 LEU CG C 27.357 0.05 1 1072 . 115 LEU HG H 1.943 0.02 1 1073 . 115 LEU CD1 C 25.491 0.05 1 1074 . 115 LEU HD1 H 1.064 0.02 2 1075 . 115 LEU CD2 C 23.831 0.05 1 1076 . 115 LEU HD2 H 0.992 0.02 2 1077 . 115 LEU C C 180.324 0.05 1 1078 . 116 THR N N 118.513 0.05 1 1079 . 116 THR H H 8.494 0.02 1 1080 . 116 THR CA C 66.981 0.05 1 1081 . 116 THR HA H 4.156 0.02 1 1082 . 116 THR CB C 68.108 0.05 1 1083 . 116 THR HB H 4.419 0.02 1 1084 . 116 THR CG2 C 22.034 0.05 1 1085 . 116 THR HG2 H 1.434 0.02 1 1086 . 116 THR C C 176.769 0.05 1 1087 . 117 ALA N N 125.366 0.05 1 1088 . 117 ALA H H 7.901 0.02 1 1089 . 117 ALA CA C 54.932 0.05 1 1090 . 117 ALA HA H 4.479 0.02 1 1091 . 117 ALA CB C 17.724 0.05 1 1092 . 117 ALA HB H 1.677 0.02 1 1093 . 117 ALA C C 179.931 0.05 1 1094 . 118 ALA N N 121.619 0.05 1 1095 . 118 ALA H H 8.685 0.02 1 1096 . 118 ALA CA C 55.299 0.05 1 1097 . 118 ALA HA H 4.141 0.02 1 1098 . 118 ALA CB C 18.053 0.05 1 1099 . 118 ALA HB H 1.663 0.02 1 1100 . 118 ALA C C 178.551 0.05 1 1101 . 119 HIS N N 116.833 0.05 1 1102 . 119 HIS H H 8.352 0.02 1 1103 . 119 HIS CA C 59.120 0.05 1 1104 . 119 HIS HA H 4.438 0.02 1 1105 . 119 HIS CB C 28.497 0.05 1 1106 . 119 HIS HB3 H 4.486 0.02 1 1107 . 119 HIS HB2 H 4.486 0.02 1 1108 . 119 HIS HD2 H 7.405 0.02 3 1109 . 119 HIS C C 176.556 0.05 1 1110 . 120 ALA N N 121.660 0.05 1 1111 . 120 ALA H H 8.082 0.02 1 1112 . 120 ALA CA C 55.311 0.05 1 1113 . 120 ALA HA H 4.078 0.02 1 1114 . 120 ALA CB C 17.724 0.05 1 1115 . 120 ALA HB H 1.584 0.02 1 1116 . 120 ALA C C 178.685 0.05 1 1117 . 121 LEU N N 117.350 0.05 1 1118 . 121 LEU H H 7.649 0.02 1 1119 . 121 LEU CA C 58.492 0.05 1 1120 . 121 LEU HA H 4.388 0.02 1 1121 . 121 LEU CB C 42.788 0.05 1 1122 . 121 LEU HB3 H 2.061 0.02 1 1123 . 121 LEU HB2 H 2.061 0.02 1 1124 . 121 LEU CG C 28.007 0.05 1 1125 . 121 LEU HG H 1.795 0.02 1 1126 . 121 LEU CD1 C 26.688 0.05 1 1127 . 121 LEU HD1 H 0.980 0.02 2 1128 . 121 LEU CD2 C 26.688 0.05 1 1129 . 121 LEU HD2 H 1.079 0.02 2 1130 . 121 LEU C C 178.287 0.05 1 1131 . 122 ALA N N 119.847 0.05 1 1132 . 122 ALA H H 7.655 0.02 1 1133 . 122 ALA CA C 55.718 0.05 1 1134 . 122 ALA HA H 4.007 0.02 1 1135 . 122 ALA CB C 18.316 0.05 1 1136 . 122 ALA HB H 1.653 0.02 1 1137 . 123 VAL N N 119.787 0.05 1 1138 . 123 VAL H H 8.156 0.02 1 1139 . 123 VAL CA C 66.606 0.05 1 1140 . 123 VAL HA H 3.606 0.02 1 1141 . 123 VAL CB C 32.057 0.05 1 1142 . 123 VAL HB H 2.176 0.02 1 1143 . 123 VAL CG2 C 22.575 0.05 1 1144 . 123 VAL HG2 H 0.887 0.02 2 1145 . 123 VAL CG1 C 21.288 0.05 1 1146 . 123 VAL HG1 H 1.018 0.02 2 1147 . 123 VAL C C 179.031 0.05 1 1148 . 124 ASP N N 121.362 0.05 1 1149 . 124 ASP H H 9.039 0.02 1 1150 . 124 ASP CA C 57.026 0.05 1 1151 . 124 ASP HA H 4.721 0.02 1 1152 . 124 ASP CB C 38.286 0.05 1 1153 . 124 ASP HB3 H 2.980 0.02 2 1154 . 124 ASP HB2 H 2.635 0.02 2 1155 . 124 ASP C C 179.824 0.05 1 1156 . 125 ALA N N 126.993 0.05 1 1157 . 125 ALA H H 8.839 0.02 1 1158 . 125 ALA CA C 55.665 0.05 1 1159 . 125 ALA HA H 4.189 0.02 1 1160 . 125 ALA CB C 17.789 0.05 1 1161 . 125 ALA HB H 1.573 0.02 1 1162 . 125 ALA C C 177.958 0.05 1 1163 . 126 LYS N N 119.361 0.05 1 1164 . 126 LYS H H 7.737 0.02 1 1165 . 126 LYS CA C 59.487 0.05 1 1166 . 126 LYS HA H 4.057 0.02 1 1167 . 126 LYS CB C 31.743 0.05 1 1168 . 126 LYS HB3 H 1.996 0.02 1 1169 . 126 LYS HB2 H 1.996 0.02 1 1170 . 126 LYS CG C 25.350 0.05 1 1171 . 126 LYS HG3 H 1.585 0.02 1 1172 . 126 LYS HG2 H 1.585 0.02 1 1173 . 126 LYS CD C 29.036 0.05 1 1174 . 126 LYS HD3 H 1.719 0.02 1 1175 . 126 LYS HD2 H 1.719 0.02 1 1176 . 126 LYS CE C 42.359 0.05 1 1177 . 126 LYS HE3 H 3.139 0.02 1 1178 . 126 LYS HE2 H 3.139 0.02 1 1179 . 126 LYS C C 178.687 0.05 1 1180 . 127 ASN N N 118.063 0.05 1 1181 . 127 ASN H H 8.361 0.02 1 1182 . 127 ASN CA C 56.555 0.05 1 1183 . 127 ASN HA H 4.653 0.02 1 1184 . 127 ASN CB C 38.286 0.05 1 1185 . 127 ASN HB3 H 3.063 0.02 1 1186 . 127 ASN HB2 H 3.063 0.02 1 1187 . 127 ASN ND2 N 113.079 0.05 1 1188 . 127 ASN HD21 H 7.009 0.02 2 1189 . 127 ASN HD22 H 8.086 0.02 2 1190 . 127 ASN C C 177.362 0.05 1 1191 . 128 LEU N N 120.263 0.05 1 1192 . 128 LEU H H 7.783 0.02 1 1193 . 128 LEU CA C 58.387 0.05 1 1194 . 128 LEU HA H 4.144 0.02 1 1195 . 128 LEU CB C 40.851 0.05 1 1196 . 128 LEU CG C 26.734 0.05 1 1197 . 128 LEU CD1 C 24.244 0.05 1 1198 . 128 LEU CD2 C 24.244 0.05 1 1199 . 128 LEU C C 177.493 0.05 1 1200 . 129 LEU N N 119.811 0.05 1 1201 . 129 LEU H H 7.858 0.02 1 1202 . 129 LEU CA C 58.208 0.05 1 1203 . 129 LEU HA H 4.042 0.02 1 1204 . 129 LEU CB C 41.619 0.05 1 1205 . 129 LEU CG C 26.503 0.05 1 1206 . 129 LEU CD1 C 23.964 0.05 1 1207 . 129 LEU CD2 C 23.964 0.05 1 1208 . 129 LEU C C 177.631 0.05 1 1209 . 130 ASP N N 118.638 0.05 1 1210 . 130 ASP H H 8.278 0.02 1 1211 . 130 ASP CA C 57.944 0.05 1 1212 . 130 ASP HA H 4.805 0.02 1 1213 . 130 ASP CB C 40.237 0.05 1 1214 . 130 ASP HB3 H 3.020 0.02 2 1215 . 130 ASP HB2 H 2.881 0.02 2 1216 . 130 ASP C C 179.180 0.05 1 1217 . 131 VAL N N 120.123 0.05 1 1218 . 131 VAL H H 8.218 0.02 1 1219 . 131 VAL CA C 66.449 0.05 1 1220 . 131 VAL HA H 3.883 0.02 1 1221 . 131 VAL CB C 31.900 0.05 1 1222 . 131 VAL HB H 2.400 0.02 1 1223 . 131 VAL CG2 C 22.814 0.05 1 1224 . 131 VAL HG2 H 1.205 0.02 2 1225 . 131 VAL CG1 C 22.308 0.05 1 1226 . 131 VAL HG1 H 1.048 0.02 2 1227 . 131 VAL C C 179.338 0.05 1 1228 . 132 ILE N N 122.308 0.05 1 1229 . 132 ILE H H 8.374 0.02 1 1230 . 132 ILE CA C 65.035 0.05 1 1231 . 132 ILE HA H 3.835 0.02 1 1232 . 132 ILE CB C 37.030 0.05 1 1233 . 132 ILE HB H 2.250 0.02 1 1234 . 132 ILE CG1 C 29.293 0.05 2 1235 . 132 ILE HG13 H 1.339 0.02 1 1236 . 132 ILE HG12 H 1.339 0.02 1 1237 . 132 ILE CD1 C 13.323 0.05 1 1238 . 132 ILE HD1 H 0.914 0.02 1 1239 . 132 ILE CG2 C 17.126 0.05 1 1240 . 132 ILE HG2 H 1.115 0.02 1 1241 . 132 ILE C C 177.757 0.05 1 1242 . 133 ASP N N 122.077 0.05 1 1243 . 133 ASP H H 9.341 0.02 1 1244 . 133 ASP CA C 57.969 0.05 1 1245 . 133 ASP HA H 4.586 0.02 1 1246 . 133 ASP CB C 40.328 0.05 1 1247 . 133 ASP HB3 H 3.091 0.02 2 1248 . 133 ASP HB2 H 2.770 0.02 2 1249 . 133 ASP C C 179.803 0.05 1 1250 . 134 GLN N N 118.289 0.05 1 1251 . 134 GLN H H 8.332 0.02 1 1252 . 134 GLN CA C 58.911 0.05 1 1253 . 134 GLN HA H 4.168 0.02 1 1254 . 134 GLN CB C 28.497 0.05 1 1255 . 134 GLN HB3 H 2.320 0.02 1 1256 . 134 GLN HB2 H 2.320 0.02 1 1257 . 134 GLN CG C 34.409 0.05 1 1258 . 134 GLN HG3 H 2.699 0.02 2 1259 . 134 GLN HG2 H 2.622 0.02 2 1260 . 134 GLN NE2 N 112.554 0.05 1 1261 . 134 GLN HE21 H 6.938 0.02 2 1262 . 134 GLN HE22 H 7.623 0.02 2 1263 . 134 GLN C C 178.843 0.05 1 1264 . 135 ALA N N 123.876 0.05 1 1265 . 135 ALA H H 8.254 0.02 1 1266 . 135 ALA CA C 55.247 0.05 1 1267 . 135 ALA HA H 4.259 0.02 1 1268 . 135 ALA CB C 18.974 0.05 1 1269 . 135 ALA HB H 1.823 0.02 1 1270 . 135 ALA C C 179.703 0.05 1 1271 . 136 ARG N N 117.810 0.05 1 1272 . 136 ARG H H 8.591 0.02 1 1273 . 136 ARG CA C 59.330 0.05 1 1274 . 136 ARG HA H 4.019 0.02 1 1275 . 136 ARG CB C 30.382 0.05 1 1276 . 136 ARG HB3 H 2.017 0.02 1 1277 . 136 ARG HB2 H 2.017 0.02 1 1278 . 136 ARG CG C 27.776 0.05 1 1279 . 136 ARG HG3 H 1.882 0.02 2 1280 . 136 ARG HG2 H 1.696 0.02 2 1281 . 136 ARG CD C 44.018 0.05 1 1282 . 136 ARG HD3 H 3.174 0.02 1 1283 . 136 ARG HD2 H 3.174 0.02 1 1284 . 137 LEU N N 119.423 0.05 1 1285 . 137 LEU H H 7.917 0.02 1 1286 . 137 LEU CA C 57.352 0.05 1 1287 . 137 LEU HA H 4.252 0.02 1 1288 . 137 LEU CB C 41.882 0.05 1 1289 . 137 LEU CG C 27.081 0.05 1 1290 . 137 LEU CD1 C 24.980 0.05 1 1291 . 137 LEU CD2 C 23.522 0.05 1 1292 . 138 LYS N N 119.423 0.05 1 1293 . 138 LYS H H 7.917 0.02 1 1294 . 138 LYS CA C 58.126 0.05 1 1295 . 138 LYS HA H 4.258 0.02 1 1296 . 138 LYS CB C 32.423 0.05 1 1297 . 138 LYS HB3 H 2.079 0.02 1 1298 . 138 LYS HB2 H 2.079 0.02 1 1299 . 138 LYS CG C 25.421 0.05 1 1300 . 138 LYS HG3 H 1.589 0.02 1 1301 . 138 LYS HG2 H 1.589 0.02 1 1302 . 138 LYS CD C 29.362 0.05 1 1303 . 138 LYS HD3 H 1.753 0.02 1 1304 . 138 LYS HD2 H 1.753 0.02 1 1305 . 138 LYS CE C 42.290 0.05 1 1306 . 138 LYS HE3 H 3.090 0.02 1 1307 . 138 LYS HE2 H 3.090 0.02 1 1308 . 138 LYS C C 178.102 0.05 1 1309 . 139 MET N N 118.509 0.05 1 1310 . 139 MET H H 7.937 0.02 1 1311 . 139 MET CA C 57.550 0.05 1 1312 . 139 MET HA H 4.411 0.02 1 1313 . 139 MET CB C 33.209 0.05 1 1314 . 139 MET HB3 H 2.471 0.02 2 1315 . 139 MET HB2 H 2.289 0.02 2 1316 . 139 MET CG C 32.079 0.05 1 1317 . 139 MET HG3 H 2.862 0.02 2 1318 . 139 MET HG2 H 2.748 0.02 2 1319 . 139 MET C C 177.628 0.05 1 1320 . 140 ILE N N 119.097 0.05 1 1321 . 140 ILE H H 8.012 0.02 1 1322 . 140 ILE CA C 62.837 0.05 1 1323 . 140 ILE HA H 4.223 0.02 1 1324 . 140 ILE CB C 38.653 0.05 1 1325 . 140 ILE HB H 2.108 0.02 1 1326 . 140 ILE CG1 C 27.910 0.05 2 1327 . 140 ILE HG13 H 1.717 0.02 1 1328 . 140 ILE HG12 H 1.396 0.02 1 1329 . 140 ILE CD1 C 13.393 0.05 1 1330 . 140 ILE HD1 H 1.003 0.02 1 1331 . 140 ILE CG2 C 17.540 0.05 1 1332 . 140 ILE HG2 H 1.072 0.02 1 1333 . 140 ILE C C 177.403 0.05 1 1334 . 141 SER N N 117.288 0.05 1 1335 . 141 SER H H 8.202 0.02 1 1336 . 141 SER CA C 59.539 0.05 1 1337 . 141 SER HA H 4.535 0.02 1 1338 . 141 SER CB C 63.727 0.05 1 1339 . 141 SER HB3 H 4.081 0.02 1 1340 . 141 SER HB2 H 4.081 0.02 1 1341 . 141 SER C C 175.207 0.05 1 1342 . 142 GLN N N 120.921 0.05 1 1343 . 142 GLN H H 8.213 0.02 1 1344 . 142 GLN CA C 56.293 0.05 1 1345 . 142 GLN HA H 4.516 0.02 1 1346 . 142 GLN CB C 29.387 0.05 1 1347 . 142 GLN HB3 H 2.184 0.02 2 1348 . 142 GLN HB2 H 2.321 0.02 2 1349 . 142 GLN CG C 34.132 0.05 1 1350 . 142 GLN HG3 H 2.573 0.02 1 1351 . 142 GLN HG2 H 2.573 0.02 1 1352 . 142 GLN NE2 N 111.726 0.05 1 1353 . 142 GLN HE21 H 6.933 0.02 2 1354 . 142 GLN HE22 H 7.623 0.02 2 1355 . 142 GLN C C 176.191 0.05 1 1356 . 143 SER N N 116.042 0.05 1 1357 . 143 SER H H 8.200 0.02 1 1358 . 143 SER CA C 58.603 0.05 1 1359 . 143 SER HA H 4.603 0.02 1 1360 . 143 SER CB C 63.935 0.05 1 1361 . 143 SER HB3 H 4.038 0.02 2 1362 . 143 SER C C 174.118 0.05 1 1363 . 144 ARG N N 123.511 0.05 1 1364 . 144 ARG H H 8.205 0.02 1 1365 . 144 ARG CA C 54.095 0.05 1 1366 . 144 ARG CB C 30.487 0.05 1 1367 . 145 PRO CA C 63.606 0.05 1 1368 . 145 PRO HA H 4.546 0.02 1 1369 . 145 PRO CB C 32.074 0.05 1 1370 . 145 PRO CG C 27.495 0.05 1 1371 . 145 PRO CD C 51.060 0.05 1 1372 . 145 PRO C C 176.235 0.05 1 1373 . 146 HIS N N 123.414 0.05 1 1374 . 146 HIS H H 8.091 0.02 1 1375 . 146 HIS CA C 57.131 0.05 1 1376 . 146 HIS CB C 30.120 0.05 1 1377 . 146 HIS CD2 C 119.522 0.05 1 1378 . 146 HIS HD2 H 7.425 0.02 3 stop_ save_