data_5266 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C assignments of the focal adhesion targeting domain of focal adhesion kinase (FAT) ; _BMRB_accession_number 5266 _BMRB_flat_file_name bmr5266.str _Entry_type original _Submission_date 2002-01-28 _Accession_date 2002-01-28 _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 Liu Gaohua . . 2 Guibao Cristina D . 3 Zheng Jie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 125 "13C chemical shifts" 270 "15N chemical shifts" 125 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-01-06 original author . stop_ _Original_release_date 2003-01-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 15N and 13C Assignments of the Targeting (FAT) Domain of Focal Adhesion Kinase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22056595 _PubMed_ID 12061723 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Gaohua . . 2 Guibao Cristina D . 3 Zheng Jie . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 23 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 75 _Page_last 76 _Year 2002 _Details . save_ ################################## # Molecular system description # ################################## save_system_FAT _Saveframe_category molecular_system _Mol_system_name 'FAT domain of Focal adhesion kinase (914-1053)' _Abbreviation_common FAT _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FAT domain (914-1053)' $FAT stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _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 of focal adhesion kinase (914-1053)' _Abbreviation_common FAT _Molecular_mass . _Mol_thiol_state 'not present' _Details ; The residues 2-139 of fat domain here are same as the residues 916-1053 of Focal adhesion kinase. ; ############################## # Polymer residue sequence # ############################## _Residue_count 139 _Mol_residue_sequence ; MANLDRSNDKVYENVTGLVK AVIEMSSKIQPAPPEEYVPM VKEVGLALRTLLATVDESLP VLPASTHREIEMAQKLLNSD LAELINKMKLAQQYVMTSLQ QEYKKQMLTAAHALAVDAKN LLDVIDQARLKMISQSRPH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 MET 2 916 ALA 3 917 ASN 4 918 LEU 5 919 ASP 6 920 ARG 7 921 SER 8 922 ASN 9 923 ASP 10 924 LYS 11 925 VAL 12 926 TYR 13 927 GLU 14 928 ASN 15 929 VAL 16 930 THR 17 931 GLY 18 932 LEU 19 933 VAL 20 934 LYS 21 935 ALA 22 936 VAL 23 937 ILE 24 938 GLU 25 939 MET 26 940 SER 27 941 SER 28 942 LYS 29 943 ILE 30 944 GLN 31 945 PRO 32 946 ALA 33 947 PRO 34 948 PRO 35 949 GLU 36 950 GLU 37 951 TYR 38 952 VAL 39 953 PRO 40 954 MET 41 955 VAL 42 956 LYS 43 957 GLU 44 958 VAL 45 959 GLY 46 960 LEU 47 961 ALA 48 962 LEU 49 963 ARG 50 964 THR 51 965 LEU 52 966 LEU 53 967 ALA 54 968 THR 55 969 VAL 56 970 ASP 57 971 GLU 58 972 SER 59 973 LEU 60 974 PRO 61 975 VAL 62 976 LEU 63 977 PRO 64 978 ALA 65 979 SER 66 980 THR 67 981 HIS 68 982 ARG 69 983 GLU 70 984 ILE 71 985 GLU 72 986 MET 73 987 ALA 74 988 GLN 75 989 LYS 76 990 LEU 77 991 LEU 78 992 ASN 79 993 SER 80 994 ASP 81 995 LEU 82 996 ALA 83 997 GLU 84 998 LEU 85 999 ILE 86 1000 ASN 87 1001 LYS 88 1002 MET 89 1003 LYS 90 1004 LEU 91 1005 ALA 92 1006 GLN 93 1007 GLN 94 1008 TYR 95 1009 VAL 96 1010 MET 97 1011 THR 98 1012 SER 99 1013 LEU 100 1014 GLN 101 1015 GLN 102 1016 GLU 103 1017 TYR 104 1018 LYS 105 1019 LYS 106 1020 GLN 107 1021 MET 108 1022 LEU 109 1023 THR 110 1024 ALA 111 1025 ALA 112 1026 HIS 113 1027 ALA 114 1028 LEU 115 1029 ALA 116 1030 VAL 117 1031 ASP 118 1032 ALA 119 1033 LYS 120 1034 ASN 121 1035 LEU 122 1036 LEU 123 1037 ASP 124 1038 VAL 125 1039 ILE 126 1040 ASP 127 1041 GLN 128 1042 ALA 129 1043 ARG 130 1044 LEU 131 1045 LYS 132 1046 MET 133 1047 ILE 134 1048 SER 135 1049 GLN 136 1050 SER 137 1051 ARG 138 1052 PRO 139 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 5677 FAT 96.40 146 100.00 100.00 1.47e-89 BMRB 5924 FAT 96.40 134 100.00 100.00 1.30e-89 PDB 1KTM "Solution Structure Of Fat Domain Of Focal Adhesion Kinase" 99.28 139 100.00 100.00 1.20e-92 PDB 1PV3 "Nmr Solution Structure Of The Avian Fat-Domain Of Focal Adhesion Kinase" 96.40 146 100.00 100.00 1.47e-89 PDB 1QVX "Solution Structure Of The Fat Domain Of Focal Adhesion Kinase" 96.40 134 100.00 100.00 1.30e-89 PDB 2L6F "Nmr Solution Structure Of Fat Domain Of Fak Complexed With Ld2 And Ld4 Motifs Of Paxillin" 100.00 215 100.00 100.00 5.84e-95 PDB 2L6G "Fat-ld2 Double Labeled Construct With Free Ld4 Peptide" 100.00 176 100.00 100.00 2.35e-93 PDB 2L6H "Fat Domain Of Focal Adhesion Kinase Tethered To Ld4 Motif Of Paxillin Via Ggs Linker" 100.00 180 100.00 100.00 5.70e-95 GB AAA48765 "focal adhesion kinase [Gallus gallus]" 99.28 1053 100.00 100.00 7.52e-84 GB AAA48773 "protein-tyrosine kinase [Gallus gallus]" 99.28 359 99.28 99.28 2.60e-88 GB EMC80181 "Focal adhesion kinase 1, partial [Columba livia]" 99.28 1043 99.28 100.00 2.69e-83 GB EOA99770 "Focal adhesion kinase 1, partial [Anas platyrhynchos]" 99.28 1068 99.28 100.00 1.94e-83 GB KFM11460 "Focal adhesion kinase 1, partial [Aptenodytes forsteri]" 99.28 1065 99.28 100.00 1.87e-83 REF NP_990766 "focal adhesion kinase 1 [Gallus gallus]" 99.28 1053 100.00 100.00 7.52e-84 REF XP_002191290 "PREDICTED: focal adhesion kinase 1 isoform 1 [Taeniopygia guttata]" 99.28 1051 97.83 99.28 1.30e-80 REF XP_004174254 "PREDICTED: focal adhesion kinase 1 isoform 2 [Taeniopygia guttata]" 99.28 1054 97.83 99.28 1.30e-80 REF XP_005021656 "PREDICTED: focal adhesion kinase 1 isoform X1 [Anas platyrhynchos]" 99.28 1099 99.28 100.00 2.64e-83 REF XP_005021657 "PREDICTED: focal adhesion kinase 1 isoform X2 [Anas platyrhynchos]" 99.28 1096 99.28 100.00 2.46e-83 SP Q00944 "RecName: Full=Focal adhesion kinase 1; Short=FADK 1; AltName: Full=Focal adhesion kinase-related nonkinase; Short=FRNK; Short=p" 99.28 1053 100.00 100.00 7.52e-84 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_name $FAT 'recombinant technology' . . . . . 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 1.0 mL [U-15N] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FAT 2.0 mL '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HAQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HAQC' _Sample_label . save_ save_1H-15N_NOESYHSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESYHSQC' _Sample_label . save_ save_1H-15N_TOCSYHSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSYHSQC' _Sample_label . save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_3D_C13-edit_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C13-edit NOESY' _Sample_label . save_ save_3D_HCCHTOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCHTOCSY' _Sample_label . save_ save_3D_HCCHCOSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCHCOSY' _Sample_label . save_ save_4D_15N-C13_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 15N-C13 NOESY' _Sample_label . save_ save_4D_C13-C13_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '4D C13-C13 NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HAQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESYHSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSYHSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C13-edit NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCHTOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCHCOSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 15N-C13 NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '4D C13-C13 NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.2 0.2 na temperature 310 1 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 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.0 . indirect . . . 0.404808636 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 2 'methyl protons' ppm 0.0 . indirect . . . 0.153506088 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H-15N HAQC' '1H-15N NOESYHSQC' '1H-15N TOCSYHSQC' HNCA HNCACB CBCACONH HN(CO)CA '3D C13-edit NOESY' '3D HCCHTOCSY' '3D HCCHCOSY' '4D 15N-C13 NOESY' '4D C13-C13 NOESY' stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'FAT domain (914-1053)' _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 MET CA C 55.458 0.08 . 2 . 2 ALA N N 123.283 0.08 . 3 . 2 ALA H H 8.345 0.01 . 4 . 2 ALA CA C 52.659 0.08 . 5 . 2 ALA CB C 19.409 0.08 . 6 . 3 ASN N N 115.861 0.08 . 7 . 3 ASN H H 8.349 0.01 . 8 . 3 ASN CA C 52.918 0.08 . 9 . 3 ASN CB C 38.900 0.08 . 10 . 4 LEU N N 120.723 0.08 . 11 . 4 LEU H H 7.954 0.01 . 12 . 4 LEU CA C 54.801 0.08 . 13 . 4 LEU CB C 42.323 0.08 . 14 . 5 ASP N N 120.010 0.08 . 15 . 5 ASP H H 8.394 0.01 . 16 . 5 ASP CA C 54.318 0.08 . 17 . 5 ASP CB C 41.374 0.08 . 18 . 6 ARG CA C 54.291 0.08 . 19 . 7 SER N N 116.511 0.08 . 20 . 7 SER H H 8.550 0.01 . 21 . 7 SER CA C 61.283 0.08 . 22 . 7 SER CB C 63.068 0.08 . 23 . 8 ASN N N 118.164 0.08 . 24 . 8 ASN H H 8.567 0.01 . 25 . 8 ASN CA C 52.983 0.08 . 26 . 8 ASN CB C 38.740 0.08 . 27 . 9 ASP N N 117.548 0.08 . 28 . 9 ASP H H 7.590 0.01 . 29 . 9 ASP CA C 52.915 0.08 . 30 . 9 ASP CB C 41.739 0.08 . 31 . 10 LYS N N 124.935 0.08 . 32 . 10 LYS H H 8.665 0.01 . 33 . 10 LYS CA C 58.158 0.08 . 34 . 10 LYS CB C 32.494 0.08 . 35 . 11 VAL N N 117.451 0.08 . 36 . 11 VAL H H 7.998 0.01 . 37 . 11 VAL CA C 67.155 0.08 . 38 . 11 VAL CB C 31.063 0.08 . 39 . 12 TYR N N 119.298 0.08 . 40 . 12 TYR H H 8.051 0.01 . 41 . 12 TYR CA C 62.257 0.08 . 42 . 12 TYR CB C 38.740 0.08 . 43 . 13 GLU N N 118.628 0.08 . 44 . 13 GLU H H 8.506 0.01 . 45 . 13 GLU CA C 59.742 0.08 . 46 . 13 GLU CB C 29.884 0.08 . 47 . 14 ASN N N 115.896 0.08 . 48 . 14 ASN H H 8.413 0.01 . 49 . 14 ASN CA C 55.601 0.08 . 50 . 14 ASN CB C 39.376 0.08 . 51 . 15 VAL N N 124.255 0.08 . 52 . 15 VAL H H 9.076 0.01 . 53 . 15 VAL CA C 67.903 0.08 . 54 . 15 VAL CB C 31.158 0.08 . 55 . 16 THR N N 113.433 0.08 . 56 . 16 THR H H 8.388 0.01 . 57 . 16 THR CA C 67.652 0.08 . 58 . 16 THR CB C 67.949 0.08 . 59 . 17 GLY N N 106.241 0.08 . 60 . 17 GLY H H 8.382 0.01 . 61 . 17 GLY CA C 47.239 0.08 . 62 . 18 LEU N N 122.538 0.08 . 63 . 18 LEU H H 7.788 0.01 . 64 . 18 LEU CA C 57.991 0.08 . 65 . 18 LEU CB C 41.809 0.08 . 66 . 19 VAL N N 118.520 0.08 . 67 . 19 VAL H H 8.496 0.01 . 68 . 19 VAL CA C 68.010 0.08 . 69 . 19 VAL CB C 30.880 0.08 . 70 . 20 LYS N N 117.483 0.08 . 71 . 20 LYS H H 8.766 0.01 . 72 . 20 LYS CA C 60.749 0.08 . 73 . 20 LYS CB C 32.082 0.08 . 74 . 21 ALA N N 120.529 0.08 . 75 . 21 ALA H H 7.992 0.01 . 76 . 21 ALA CA C 55.193 0.08 . 77 . 21 ALA CB C 17.063 0.08 . 78 . 22 VAL N N 118.747 0.08 . 79 . 22 VAL H H 8.489 0.01 . 80 . 22 VAL CA C 67.488 0.08 . 81 . 22 VAL CB C 31.304 0.08 . 82 . 23 ILE N N 124.644 0.08 . 83 . 23 ILE H H 8.882 0.01 . 84 . 23 ILE CA C 66.479 0.08 . 85 . 23 ILE CB C 38.163 0.08 . 86 . 24 GLU N N 119.524 0.08 . 87 . 24 GLU H H 8.436 0.01 . 88 . 24 GLU CA C 59.681 0.08 . 89 . 24 GLU CB C 29.170 0.08 . 90 . 25 MET N N 116.900 0.08 . 91 . 25 MET H H 8.215 0.01 . 92 . 25 MET CA C 59.375 0.08 . 93 . 25 MET CB C 33.369 0.08 . 94 . 26 SER N N 112.008 0.08 . 95 . 26 SER H H 8.559 0.01 . 96 . 26 SER CA C 62.778 0.08 . 97 . 26 SER CB C 62.676 0.08 . 98 . 27 SER N N 113.433 0.08 . 99 . 27 SER H H 8.060 0.01 . 100 . 27 SER CA C 60.603 0.08 . 101 . 27 SER CB C 63.555 0.08 . 102 . 28 LYS N N 118.228 0.08 . 103 . 28 LYS H H 7.905 0.01 . 104 . 28 LYS CA C 57.654 0.08 . 105 . 28 LYS CB C 34.051 0.08 . 106 . 29 ILE N N 115.280 0.08 . 107 . 29 ILE H H 8.019 0.01 . 108 . 29 ILE CA C 64.048 0.08 . 109 . 29 ILE CB C 38.528 0.08 . 110 . 30 GLN N N 118.131 0.08 . 111 . 30 GLN H H 8.209 0.01 . 112 . 30 GLN CA C 61.957 0.08 . 113 . 30 GLN CB C 25.685 0.08 . 114 . 31 PRO CA C 63.777 0.08 . 115 . 31 PRO CB C 31.507 0.08 . 116 . 32 ALA N N 121.468 0.08 . 117 . 32 ALA H H 7.111 0.01 . 118 . 32 ALA CA C 51.242 0.08 . 119 . 32 ALA CB C 19.409 0.08 . 120 . 33 PRO CA C 60.939 0.08 . 121 . 33 PRO CB C 30.933 0.08 . 122 . 34 PRO CA C 63.996 0.08 . 123 . 34 PRO CB C 31.743 0.08 . 124 . 35 GLU N N 115.863 0.08 . 125 . 35 GLU H H 9.480 0.01 . 126 . 35 GLU CA C 59.396 0.08 . 127 . 35 GLU CB C 28.415 0.08 . 128 . 36 GLU N N 115.701 0.08 . 129 . 36 GLU H H 8.070 0.01 . 130 . 36 GLU CA C 56.524 0.08 . 131 . 36 GLU CB C 30.528 0.08 . 132 . 37 TYR N N 115.961 0.08 . 133 . 37 TYR H H 7.879 0.01 . 134 . 37 TYR CA C 58.565 0.08 . 135 . 37 TYR CB C 37.755 0.08 . 136 . 38 VAL N N 117.451 0.08 . 137 . 38 VAL H H 8.336 0.01 . 138 . 38 VAL CA C 68.905 0.08 . 139 . 38 VAL CB C 29.115 0.08 . 140 . 39 PRO CA C 66.039 0.08 . 141 . 39 PRO CB C 30.958 0.08 . 142 . 40 MET N N 113.142 0.08 . 143 . 40 MET H H 7.244 0.01 . 144 . 40 MET CA C 59.299 0.08 . 145 . 40 MET CB C 32.949 0.08 . 146 . 41 VAL N N 119.557 0.08 . 147 . 41 VAL H H 8.288 0.01 . 148 . 41 VAL CA C 66.389 0.08 . 149 . 41 VAL CB C 31.173 0.08 . 150 . 42 LYS N N 119.816 0.08 . 151 . 42 LYS H H 8.908 0.01 . 152 . 42 LYS CA C 60.574 0.08 . 153 . 42 LYS CB C 32.082 0.08 . 154 . 43 GLU N N 115.313 0.08 . 155 . 43 GLU H H 7.648 0.01 . 156 . 43 GLU CA C 59.914 0.08 . 157 . 43 GLU CB C 29.473 0.08 . 158 . 44 VAL N N 118.552 0.08 . 159 . 44 VAL H H 7.345 0.01 . 160 . 44 VAL CA C 66.784 0.08 . 161 . 44 VAL CB C 31.523 0.08 . 162 . 45 GLY N N 105.269 0.08 . 163 . 45 GLY H H 8.743 0.01 . 164 . 45 GLY CA C 48.044 0.08 . 165 . 46 LEU N N 120.399 0.08 . 166 . 46 LEU H H 8.856 0.01 . 167 . 46 LEU CA C 57.890 0.08 . 168 . 46 LEU CB C 41.309 0.08 . 169 . 47 ALA N N 121.695 0.08 . 170 . 47 ALA H H 7.861 0.01 . 171 . 47 ALA CA C 54.783 0.08 . 172 . 47 ALA CB C 17.176 0.08 . 173 . 48 LEU N N 119.978 0.08 . 174 . 48 LEU H H 8.599 0.01 . 175 . 48 LEU CA C 57.534 0.08 . 176 . 48 LEU CB C 40.681 0.08 . 177 . 49 ARG N N 121.274 0.08 . 178 . 49 ARG H H 8.654 0.01 . 179 . 49 ARG CA C 60.891 0.08 . 180 . 49 ARG CB C 29.736 0.08 . 181 . 50 THR N N 113.207 0.08 . 182 . 50 THR H H 8.109 0.01 . 183 . 50 THR CA C 66.503 0.08 . 184 . 50 THR CB C 68.807 0.08 . 185 . 51 LEU N N 119.492 0.08 . 186 . 51 LEU H H 7.446 0.01 . 187 . 51 LEU CA C 58.194 0.08 . 188 . 51 LEU CB C 40.877 0.08 . 189 . 52 LEU N N 116.868 0.08 . 190 . 52 LEU H H 9.031 0.01 . 191 . 52 LEU CA C 59.211 0.08 . 192 . 52 LEU CB C 40.791 0.08 . 193 . 53 ALA N N 119.946 0.08 . 194 . 53 ALA H H 8.592 0.01 . 195 . 53 ALA CA C 55.603 0.08 . 196 . 53 ALA CB C 17.788 0.08 . 197 . 54 THR N N 115.475 0.08 . 198 . 54 THR H H 8.199 0.01 . 199 . 54 THR CA C 66.160 0.08 . 200 . 54 THR CB C 68.546 0.08 . 201 . 55 VAL N N 122.505 0.08 . 202 . 55 VAL H H 8.515 0.01 . 203 . 55 VAL CA C 67.687 0.08 . 204 . 55 VAL CB C 31.325 0.08 . 205 . 56 ASP N N 119.881 0.08 . 206 . 56 ASP H H 8.535 0.01 . 207 . 56 ASP CA C 58.032 0.08 . 208 . 56 ASP CB C 40.367 0.08 . 209 . 57 GLU N N 115.410 0.08 . 210 . 57 GLU H H 7.836 0.01 . 211 . 57 GLU CA C 58.275 0.08 . 212 . 57 GLU CB C 29.848 0.08 . 213 . 58 SER N N 112.526 0.08 . 214 . 58 SER H H 7.821 0.01 . 215 . 58 SER CA C 60.022 0.08 . 216 . 58 SER CB C 64.084 0.08 . 217 . 59 LEU N N 120.626 0.08 . 218 . 59 LEU H H 7.579 0.01 . 219 . 59 LEU CA C 60.022 0.08 . 220 . 59 LEU CB C 39.623 0.08 . 221 . 60 PRO CA C 65.747 0.08 . 222 . 60 PRO CB C 31.917 0.08 . 223 . 61 VAL N N 108.152 0.08 . 224 . 61 VAL H H 7.496 0.01 . 225 . 61 VAL CA C 61.402 0.08 . 226 . 61 VAL CB C 31.781 0.08 . 227 . 62 LEU N N 120.788 0.08 . 228 . 62 LEU H H 7.913 0.01 . 229 . 62 LEU CA C 52.486 0.08 . 230 . 62 LEU CB C 41.301 0.08 . 231 . 64 ALA CA C 54.668 0.08 . 232 . 64 ALA CB C 17.774 0.08 . 233 . 65 SER CA C 60.493 0.08 . 234 . 66 THR N N 111.198 0.08 . 235 . 66 THR H H 8.170 0.01 . 236 . 66 THR CA C 62.842 0.08 . 237 . 66 THR CB C 70.856 0.08 . 238 . 67 HIS N N 119.298 0.08 . 239 . 67 HIS H H 7.682 0.01 . 240 . 67 HIS CA C 59.097 0.08 . 241 . 67 HIS CB C 31.085 0.08 . 242 . 68 ARG H H 8.775 0.01 . 243 . 68 ARG CA C 59.949 0.08 . 244 . 68 ARG CB C 29.088 0.08 . 245 . 68 ARG NE N 117.840 0.08 . 246 . 69 GLU N N 117.580 0.08 . 247 . 69 GLU H H 8.285 0.01 . 248 . 69 GLU CA C 59.655 0.08 . 249 . 69 GLU CB C 29.480 0.08 . 250 . 70 ILE N N 119.816 0.08 . 251 . 70 ILE H H 7.863 0.01 . 252 . 70 ILE CA C 65.986 0.08 . 253 . 70 ILE CB C 37.828 0.08 . 254 . 71 GLU N N 119.816 0.08 . 255 . 71 GLU H H 8.884 0.01 . 256 . 71 GLU CA C 60.021 0.08 . 257 . 71 GLU CB C 29.348 0.08 . 258 . 72 MET N N 116.479 0.08 . 259 . 72 MET H H 8.380 0.01 . 260 . 72 MET CA C 58.422 0.08 . 261 . 72 MET CB C 32.236 0.08 . 262 . 73 ALA N N 121.533 0.08 . 263 . 73 ALA H H 7.868 0.01 . 264 . 73 ALA CA C 54.852 0.08 . 265 . 73 ALA CB C 18.672 0.08 . 266 . 74 GLN N N 115.928 0.08 . 267 . 74 GLN H H 8.356 0.01 . 268 . 74 GLN CA C 59.880 0.08 . 269 . 74 GLN CB C 30.721 0.08 . 270 . 75 LYS N N 118.261 0.08 . 271 . 75 LYS H H 8.165 0.01 . 272 . 75 LYS CA C 59.887 0.08 . 273 . 75 LYS CB C 32.310 0.08 . 274 . 76 LEU N N 118.453 0.08 . 275 . 76 LEU H H 7.787 0.01 . 276 . 76 LEU CA C 57.654 0.08 . 277 . 76 LEU CB C 41.573 0.08 . 278 . 77 LEU N N 115.863 0.08 . 279 . 77 LEU H H 7.293 0.01 . 280 . 77 LEU CA C 57.980 0.08 . 281 . 77 LEU CB C 40.801 0.08 . 282 . 78 ASN N N 116.868 0.08 . 283 . 78 ASN H H 7.636 0.01 . 284 . 78 ASN CA C 55.909 0.08 . 285 . 78 ASN CB C 37.640 0.08 . 286 . 79 SER N N 115.861 0.08 . 287 . 79 SER H H 8.372 0.01 . 288 . 79 SER CA C 62.099 0.08 . 289 . 79 SER CB C 62.238 0.08 . 290 . 80 ASP N N 121.566 0.08 . 291 . 80 ASP H H 8.784 0.01 . 292 . 80 ASP CA C 55.943 0.08 . 293 . 80 ASP CB C 38.434 0.08 . 294 . 81 LEU N N 121.015 0.08 . 295 . 81 LEU H H 8.542 0.01 . 296 . 81 LEU CA C 57.391 0.08 . 297 . 81 LEU CB C 40.773 0.08 . 298 . 82 ALA N N 120.496 0.08 . 299 . 82 ALA H H 8.711 0.01 . 300 . 82 ALA CA C 55.760 0.08 . 301 . 82 ALA CB C 17.709 0.08 . 302 . 83 GLU N N 117.580 0.08 . 303 . 83 GLU H H 8.088 0.01 . 304 . 83 GLU CA C 59.007 0.08 . 305 . 83 GLU CB C 29.207 0.08 . 306 . 84 LEU N N 119.686 0.08 . 307 . 84 LEU H H 8.065 0.01 . 308 . 84 LEU CA C 59.080 0.08 . 309 . 84 LEU CB C 41.739 0.08 . 310 . 85 ILE N N 117.224 0.08 . 311 . 85 ILE H H 8.719 0.01 . 312 . 85 ILE CA C 66.094 0.08 . 313 . 85 ILE CB C 38.382 0.08 . 314 . 86 ASN N N 117.645 0.08 . 315 . 86 ASN H H 8.492 0.01 . 316 . 86 ASN CA C 56.755 0.08 . 317 . 86 ASN CB C 38.357 0.08 . 318 . 87 LYS N N 115.863 0.08 . 319 . 87 LYS H H 8.674 0.01 . 320 . 87 LYS CA C 57.607 0.08 . 321 . 87 LYS CB C 30.679 0.08 . 322 . 88 MET N N 120.691 0.08 . 323 . 88 MET H H 8.617 0.01 . 324 . 88 MET CA C 59.324 0.08 . 325 . 88 MET CB C 33.743 0.08 . 326 . 89 LYS N N 117.030 0.08 . 327 . 89 LYS H H 8.443 0.01 . 328 . 89 LYS CA C 59.846 0.08 . 329 . 89 LYS CB C 32.292 0.08 . 330 . 90 LEU N N 119.330 0.08 . 331 . 90 LEU H H 7.649 0.01 . 332 . 90 LEU CA C 58.193 0.08 . 333 . 90 LEU CB C 40.633 0.08 . 334 . 91 ALA N N 119.946 0.08 . 335 . 91 ALA H H 8.490 0.01 . 336 . 91 ALA CA C 56.027 0.08 . 337 . 91 ALA CB C 17.804 0.08 . 338 . 92 GLN N N 111.975 0.08 . 339 . 92 GLN H H 8.091 0.01 . 340 . 92 GLN CA C 58.656 0.08 . 341 . 92 GLN CB C 29.277 0.08 . 342 . 93 GLN N N 117.872 0.08 . 343 . 93 GLN H H 8.098 0.01 . 344 . 93 GLN CA C 57.997 0.08 . 345 . 93 GLN CB C 29.049 0.08 . 346 . 94 TYR N N 114.600 0.08 . 347 . 94 TYR H H 7.933 0.01 . 348 . 94 TYR CA C 58.497 0.08 . 349 . 94 TYR CB C 36.997 0.08 . 350 . 95 VAL N N 118.617 0.08 . 351 . 95 VAL H H 7.277 0.01 . 352 . 95 VAL CA C 63.452 0.08 . 353 . 95 VAL CB C 32.461 0.08 . 354 . 96 MET N N 116.576 0.08 . 355 . 96 MET H H 8.635 0.01 . 356 . 96 MET CA C 56.499 0.08 . 357 . 96 MET CB C 31.085 0.08 . 358 . 97 THR CA C 61.743 0.08 . 359 . 97 THR CB C 72.758 0.08 . 360 . 98 SER CA C 60.561 0.08 . 361 . 99 LEU N N 120.723 0.08 . 362 . 99 LEU H H 7.888 0.01 . 363 . 99 LEU CA C 56.119 0.08 . 364 . 99 LEU CB C 42.815 0.08 . 365 . 100 GLN N N 118.520 0.08 . 366 . 100 GLN H H 7.885 0.01 . 367 . 100 GLN CA C 60.622 0.08 . 368 . 100 GLN CB C 28.604 0.08 . 369 . 101 GLN N N 114.146 0.08 . 370 . 101 GLN H H 8.272 0.01 . 371 . 101 GLN CA C 58.639 0.08 . 372 . 101 GLN CB C 28.073 0.08 . 373 . 102 GLU N N 118.974 0.08 . 374 . 102 GLU H H 7.489 0.01 . 375 . 102 GLU CA C 58.563 0.08 . 376 . 102 GLU CB C 28.566 0.08 . 377 . 103 TYR N N 115.993 0.08 . 378 . 103 TYR H H 7.984 0.01 . 379 . 103 TYR CA C 62.166 0.08 . 380 . 103 TYR CB C 37.073 0.08 . 381 . 104 LYS N N 120.043 0.08 . 382 . 104 LYS H H 8.432 0.01 . 383 . 104 LYS CA C 60.728 0.08 . 384 . 104 LYS CB C 32.724 0.08 . 385 . 105 LYS N N 117.904 0.08 . 386 . 105 LYS H H 7.864 0.01 . 387 . 105 LYS CA C 60.161 0.08 . 388 . 105 LYS CB C 31.625 0.08 . 389 . 106 GLN N N 116.803 0.08 . 390 . 106 GLN H H 8.068 0.01 . 391 . 106 GLN CA C 59.309 0.08 . 392 . 106 GLN CB C 27.947 0.08 . 393 . 107 MET N N 120.334 0.08 . 394 . 107 MET H H 8.544 0.01 . 395 . 107 MET CA C 60.250 0.08 . 396 . 107 MET CB C 33.439 0.08 . 397 . 108 LEU N N 118.002 0.08 . 398 . 108 LEU H H 7.996 0.01 . 399 . 108 LEU CA C 58.486 0.08 . 400 . 108 LEU CB C 41.017 0.08 . 401 . 109 THR N N 116.123 0.08 . 402 . 109 THR H H 8.473 0.01 . 403 . 109 THR CA C 66.783 0.08 . 404 . 109 THR CB C 68.739 0.08 . 405 . 110 ALA N N 123.639 0.08 . 406 . 110 ALA H H 7.962 0.01 . 407 . 110 ALA CA C 54.869 0.08 . 408 . 110 ALA CB C 17.597 0.08 . 409 . 111 ALA N N 119.298 0.08 . 410 . 111 ALA H H 8.525 0.01 . 411 . 111 ALA CA C 54.889 0.08 . 412 . 111 ALA CB C 18.242 0.08 . 413 . 112 HIS N N 116.576 0.08 . 414 . 112 HIS H H 8.456 0.01 . 415 . 112 HIS CA C 59.985 0.08 . 416 . 112 HIS CB C 29.734 0.08 . 417 . 113 ALA N N 119.298 0.08 . 418 . 113 ALA H H 7.945 0.01 . 419 . 113 ALA CA C 55.234 0.08 . 420 . 113 ALA CB C 17.557 0.08 . 421 . 114 LEU N N 115.410 0.08 . 422 . 114 LEU H H 7.578 0.01 . 423 . 114 LEU CA C 58.066 0.08 . 424 . 114 LEU CB C 42.558 0.08 . 425 . 115 ALA N N 117.321 0.08 . 426 . 115 ALA H H 7.589 0.01 . 427 . 115 ALA CA C 55.314 0.08 . 428 . 115 ALA CB C 19.294 0.08 . 429 . 116 VAL N N 115.604 0.08 . 430 . 116 VAL H H 8.105 0.01 . 431 . 116 VAL CA C 66.689 0.08 . 432 . 116 VAL CB C 31.675 0.08 . 433 . 117 ASP N N 119.784 0.08 . 434 . 117 ASP H H 9.198 0.01 . 435 . 117 ASP CA C 56.751 0.08 . 436 . 117 ASP CB C 38.061 0.08 . 437 . 118 ALA N N 127.300 0.08 . 438 . 118 ALA H H 8.571 0.01 . 439 . 118 ALA CA C 55.528 0.08 . 440 . 118 ALA CB C 17.950 0.08 . 441 . 119 LYS N N 118.455 0.08 . 442 . 119 LYS H H 7.709 0.01 . 443 . 119 LYS CA C 59.374 0.08 . 444 . 119 LYS CB C 31.364 0.08 . 445 . 120 ASN N N 116.349 0.08 . 446 . 120 ASN H H 8.255 0.01 . 447 . 120 ASN CA C 56.914 0.08 . 448 . 120 ASN CB C 38.175 0.08 . 449 . 121 LEU N N 118.697 0.08 . 450 . 121 LEU H H 7.794 0.01 . 451 . 121 LEU CA C 58.207 0.08 . 452 . 121 LEU CB C 41.087 0.08 . 453 . 122 LEU N N 118.682 0.08 . 454 . 122 LEU H H 7.844 0.01 . 455 . 122 LEU CA C 58.207 0.08 . 456 . 122 LEU CB C 41.267 0.08 . 457 . 123 ASP N N 116.835 0.08 . 458 . 123 ASP H H 8.428 0.01 . 459 . 123 ASP CA C 58.069 0.08 . 460 . 123 ASP CB C 39.909 0.08 . 461 . 124 VAL N N 118.617 0.08 . 462 . 124 VAL H H 8.197 0.01 . 463 . 124 VAL CA C 66.464 0.08 . 464 . 124 VAL CB C 32.121 0.08 . 465 . 125 ILE N N 121.728 0.08 . 466 . 125 ILE H H 8.419 0.01 . 467 . 125 ILE CA C 64.989 0.08 . 468 . 125 ILE CB C 36.812 0.08 . 469 . 126 ASP N N 121.339 0.08 . 470 . 126 ASP H H 9.658 0.01 . 471 . 126 ASP CA C 57.960 0.08 . 472 . 126 ASP CB C 40.021 0.08 . 473 . 127 GLN N N 116.479 0.08 . 474 . 127 GLN H H 8.180 0.01 . 475 . 127 GLN CA C 58.865 0.08 . 476 . 127 GLN CB C 28.302 0.08 . 477 . 128 ALA N N 122.894 0.08 . 478 . 128 ALA H H 8.234 0.01 . 479 . 128 ALA CA C 55.547 0.08 . 480 . 128 ALA CB C 19.257 0.08 . 481 . 129 ARG N N 116.155 0.08 . 482 . 129 ARG H H 8.797 0.01 . 483 . 129 ARG CA C 59.530 0.08 . 484 . 129 ARG CB C 30.455 0.08 . 485 . 130 LEU N N 117.904 0.08 . 486 . 130 LEU H H 8.083 0.01 . 487 . 130 LEU CA C 57.558 0.08 . 488 . 130 LEU CB C 41.637 0.08 . 489 . 131 LYS N N 118.228 0.08 . 490 . 131 LYS H H 7.897 0.01 . 491 . 131 LYS CA C 58.231 0.08 . 492 . 131 LYS CB C 32.312 0.08 . 493 . 132 MET N N 116.738 0.08 . 494 . 132 MET H H 7.883 0.01 . 495 . 132 MET CA C 57.699 0.08 . 496 . 132 MET CB C 33.291 0.08 . 497 . 133 ILE N N 117.354 0.08 . 498 . 133 ILE H H 7.960 0.01 . 499 . 133 ILE CA C 62.844 0.08 . 500 . 133 ILE CB C 38.551 0.08 . 501 . 134 SER N N 115.507 0.08 . 502 . 134 SER H H 8.164 0.01 . 503 . 134 SER CA C 59.578 0.08 . 504 . 134 SER CB C 63.628 0.08 . 505 . 135 GLN N N 119.138 0.08 . 506 . 135 GLN H H 8.152 0.01 . 507 . 135 GLN CA C 56.164 0.08 . 508 . 135 GLN CB C 29.230 0.08 . 509 . 136 SER CA C 58.523 0.08 . 510 . 136 SER CB C 64.080 0.08 . 511 . 137 ARG N N 121.825 0.08 . 512 . 137 ARG H H 8.177 0.01 . 513 . 137 ARG CA C 54.029 0.08 . 514 . 137 ARG CB C 30.501 0.08 . 515 . 138 PRO CA C 63.558 0.08 . 516 . 138 PRO CB C 32.040 0.08 . 517 . 139 HIS N N 122.149 0.08 . 518 . 139 HIS H H 7.948 0.01 . 519 . 139 HIS CA C 57.256 0.08 . 520 . 139 HIS CB C 30.647 0.08 . stop_ save_