################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53039 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'UPF2 (1015-1106) backbone' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53039 1 2 '3D CBCA(CO)NH' . . . 53039 1 3 '3D HNCA' . . . 53039 1 4 '3D HNCACB' . . . 53039 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53039 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA CA C 13 52.921 0 . . . . . . . 1011 ALA CA . 53039 1 2 . 1 . 1 2 2 ALA CB C 13 19.73 0 . . . . . . . 1011 ALA CB . 53039 1 3 . 1 . 1 3 3 ALA H H 1 8.411 0.001 . . . . . . . 1012 ALA H . 53039 1 4 . 1 . 1 3 3 ALA CA C 13 52.895 0.023 . . . . . . . 1012 ALA CA . 53039 1 5 . 1 . 1 3 3 ALA CB C 13 19.491 0.005 . . . . . . . 1012 ALA CB . 53039 1 6 . 1 . 1 3 3 ALA N N 15 123.457 0.043 . . . . . . . 1012 ALA N . 53039 1 7 . 1 . 1 4 4 SER H H 1 8.205 0.002 . . . . . . . 1013 SER H . 53039 1 8 . 1 . 1 4 4 SER CA C 13 58.554 0.058 . . . . . . . 1013 SER CA . 53039 1 9 . 1 . 1 4 4 SER CB C 13 64.083 0.013 . . . . . . . 1013 SER CB . 53039 1 10 . 1 . 1 4 4 SER N N 15 114.806 0.022 . . . . . . . 1013 SER N . 53039 1 11 . 1 . 1 5 5 MET H H 1 8.362 0.003 . . . . . . . 1014 MET H . 53039 1 12 . 1 . 1 5 5 MET CA C 13 56.01 0.051 . . . . . . . 1014 MET CA . 53039 1 13 . 1 . 1 5 5 MET CB C 13 32.944 0 . . . . . . . 1014 MET CB . 53039 1 14 . 1 . 1 5 5 MET N N 15 121.98 0.041 . . . . . . . 1014 MET N . 53039 1 15 . 1 . 1 6 6 ASN H H 1 8.335 0.002 . . . . . . . 1015 ASN H . 53039 1 16 . 1 . 1 6 6 ASN CA C 13 53.608 0.017 . . . . . . . 1015 ASN CA . 53039 1 17 . 1 . 1 6 6 ASN CB C 13 39.464 0 . . . . . . . 1015 ASN CB . 53039 1 18 . 1 . 1 6 6 ASN N N 15 119.132 0.02 . . . . . . . 1015 ASN N . 53039 1 19 . 1 . 1 7 7 ASP H H 1 8.22 0.001 . . . . . . . 1016 ASP H . 53039 1 20 . 1 . 1 7 7 ASP CA C 13 54.825 0.01 . . . . . . . 1016 ASP CA . 53039 1 21 . 1 . 1 7 7 ASP CB C 13 41.421 0.05 . . . . . . . 1016 ASP CB . 53039 1 22 . 1 . 1 7 7 ASP N N 15 120.859 0.01 . . . . . . . 1016 ASP N . 53039 1 23 . 1 . 1 8 8 LYS H H 1 8.154 0.001 . . . . . . . 1017 LYS H . 53039 1 24 . 1 . 1 8 8 LYS CA C 13 57.041 0.018 . . . . . . . 1017 LYS CA . 53039 1 25 . 1 . 1 8 8 LYS CB C 13 33.099 0.043 . . . . . . . 1017 LYS CB . 53039 1 26 . 1 . 1 8 8 LYS N N 15 120.914 0.015 . . . . . . . 1017 LYS N . 53039 1 27 . 1 . 1 9 9 ASP H H 1 8.246 0.004 . . . . . . . 1018 ASP H . 53039 1 28 . 1 . 1 9 9 ASP CA C 13 54.874 0.019 . . . . . . . 1018 ASP CA . 53039 1 29 . 1 . 1 9 9 ASP CB C 13 41.602 0.009 . . . . . . . 1018 ASP CB . 53039 1 30 . 1 . 1 9 9 ASP N N 15 120.71 0.033 . . . . . . . 1018 ASP N . 53039 1 31 . 1 . 1 10 10 SER H H 1 8.071 0 . . . . . . . 1019 SER H . 53039 1 32 . 1 . 1 10 10 SER CA C 13 58.897 0.016 . . . . . . . 1019 SER CA . 53039 1 33 . 1 . 1 10 10 SER CB C 13 64.03 0 . . . . . . . 1019 SER CB . 53039 1 34 . 1 . 1 10 10 SER N N 15 116.114 0.009 . . . . . . . 1019 SER N . 53039 1 35 . 1 . 1 11 11 LYS H H 1 8.304 0.001 . . . . . . . 1020 LYS H . 53039 1 36 . 1 . 1 11 11 LYS CA C 13 57.008 0.017 . . . . . . . 1020 LYS CA . 53039 1 37 . 1 . 1 11 11 LYS CB C 13 33.039 0 . . . . . . . 1020 LYS CB . 53039 1 38 . 1 . 1 11 11 LYS N N 15 123.03 0.021 . . . . . . . 1020 LYS N . 53039 1 39 . 1 . 1 12 12 ASP H H 1 8.24 0.002 . . . . . . . 1021 ASP H . 53039 1 40 . 1 . 1 12 12 ASP CA C 13 54.966 0.019 . . . . . . . 1021 ASP CA . 53039 1 41 . 1 . 1 12 12 ASP CB C 13 41.535 0.028 . . . . . . . 1021 ASP CB . 53039 1 42 . 1 . 1 12 12 ASP N N 15 120.834 0.054 . . . . . . . 1021 ASP N . 53039 1 43 . 1 . 1 13 13 SER H H 1 8.107 0.001 . . . . . . . 1022 SER H . 53039 1 44 . 1 . 1 13 13 SER CA C 13 58.908 0.022 . . . . . . . 1022 SER CA . 53039 1 45 . 1 . 1 13 13 SER CB C 13 64.051 0.007 . . . . . . . 1022 SER CB . 53039 1 46 . 1 . 1 13 13 SER N N 15 115.641 0.011 . . . . . . . 1022 SER N . 53039 1 47 . 1 . 1 14 14 MET H H 1 8.317 0.001 . . . . . . . 1023 MET H . 53039 1 48 . 1 . 1 14 14 MET CA C 13 56.047 0.022 . . . . . . . 1023 MET CA . 53039 1 49 . 1 . 1 14 14 MET CB C 13 33.082 0.04 . . . . . . . 1023 MET CB . 53039 1 50 . 1 . 1 14 14 MET N N 15 121.914 0.017 . . . . . . . 1023 MET N . 53039 1 51 . 1 . 1 15 15 THR H H 1 8.099 0.001 . . . . . . . 1024 THR H . 53039 1 52 . 1 . 1 15 15 THR CA C 13 62.235 0.01 . . . . . . . 1024 THR CA . 53039 1 53 . 1 . 1 15 15 THR CB C 13 70.027 0 . . . . . . . 1024 THR CB . 53039 1 54 . 1 . 1 15 15 THR N N 15 115.096 0.011 . . . . . . . 1024 THR N . 53039 1 55 . 1 . 1 16 16 GLU H H 1 8.376 0.004 . . . . . . . 1025 GLU H . 53039 1 56 . 1 . 1 16 16 GLU CA C 13 57.003 0 . . . . . . . 1025 GLU CA . 53039 1 57 . 1 . 1 16 16 GLU CB C 13 30.749 0 . . . . . . . 1025 GLU CB . 53039 1 58 . 1 . 1 16 16 GLU N N 15 123.535 0.012 . . . . . . . 1025 GLU N . 53039 1 59 . 1 . 1 17 17 GLY H H 1 8.35 0 . . . . . . . 1026 GLY H . 53039 1 60 . 1 . 1 17 17 GLY CA C 13 45.506 0 . . . . . . . 1026 GLY CA . 53039 1 61 . 1 . 1 17 17 GLY N N 15 110.059 0.017 . . . . . . . 1026 GLY N . 53039 1 62 . 1 . 1 18 18 GLU H H 1 8.163 0 . . . . . . . 1027 GLU H . 53039 1 63 . 1 . 1 18 18 GLU CA C 13 56.675 0.009 . . . . . . . 1027 GLU CA . 53039 1 64 . 1 . 1 18 18 GLU CB C 13 30.951 0.026 . . . . . . . 1027 GLU CB . 53039 1 65 . 1 . 1 18 18 GLU N N 15 120.19 0.012 . . . . . . . 1027 GLU N . 53039 1 66 . 1 . 1 19 19 ASN H H 1 8.504 0.002 . . . . . . . 1028 ASN H . 53039 1 67 . 1 . 1 19 19 ASN CA C 13 53.435 0.019 . . . . . . . 1028 ASN CA . 53039 1 68 . 1 . 1 19 19 ASN CB C 13 39.175 0.008 . . . . . . . 1028 ASN CB . 53039 1 69 . 1 . 1 19 19 ASN N N 15 119.893 0.01 . . . . . . . 1028 ASN N . 53039 1 70 . 1 . 1 20 20 LEU H H 1 8.282 0 . . . . . . . 1029 LEU H . 53039 1 71 . 1 . 1 20 20 LEU CA C 13 55.4 0.022 . . . . . . . 1029 LEU CA . 53039 1 72 . 1 . 1 20 20 LEU CB C 13 42.631 0.011 . . . . . . . 1029 LEU CB . 53039 1 73 . 1 . 1 20 20 LEU N N 15 123.256 0.011 . . . . . . . 1029 LEU N . 53039 1 74 . 1 . 1 21 21 GLU H H 1 8.337 0.001 . . . . . . . 1030 GLU H . 53039 1 75 . 1 . 1 21 21 GLU CA C 13 56.698 0.031 . . . . . . . 1030 GLU CA . 53039 1 76 . 1 . 1 21 21 GLU CB C 13 30.614 0.056 . . . . . . . 1030 GLU CB . 53039 1 77 . 1 . 1 21 21 GLU N N 15 121.695 0.034 . . . . . . . 1030 GLU N . 53039 1 78 . 1 . 1 22 22 GLU H H 1 8.313 0.001 . . . . . . . 1031 GLU H . 53039 1 79 . 1 . 1 22 22 GLU CA C 13 56.585 0.03 . . . . . . . 1031 GLU CA . 53039 1 80 . 1 . 1 22 22 GLU CB C 13 31.007 0.007 . . . . . . . 1031 GLU CB . 53039 1 81 . 1 . 1 22 22 GLU N N 15 121.885 0.013 . . . . . . . 1031 GLU N . 53039 1 82 . 1 . 1 23 23 ASP H H 1 8.352 0.002 . . . . . . . 1032 ASP H . 53039 1 83 . 1 . 1 23 23 ASP CA C 13 54.599 0 . . . . . . . 1032 ASP CA . 53039 1 84 . 1 . 1 23 23 ASP CB C 13 41.728 0 . . . . . . . 1032 ASP CB . 53039 1 85 . 1 . 1 23 23 ASP N N 15 122.015 0.029 . . . . . . . 1032 ASP N . 53039 1 86 . 1 . 1 24 24 GLU H H 1 8.336 0 . . . . . . . 1033 GLU H . 53039 1 87 . 1 . 1 24 24 GLU CA C 13 56.639 0 . . . . . . . 1033 GLU CA . 53039 1 88 . 1 . 1 24 24 GLU CB C 13 30.953 0 . . . . . . . 1033 GLU CB . 53039 1 89 . 1 . 1 24 24 GLU N N 15 121.746 0.014 . . . . . . . 1033 GLU N . 53039 1 90 . 1 . 1 25 25 GLU H H 1 8.409 0.005 . . . . . . . 1034 GLU H . 53039 1 91 . 1 . 1 25 25 GLU CA C 13 56.631 0 . . . . . . . 1034 GLU CA . 53039 1 92 . 1 . 1 25 25 GLU CB C 13 30.874 0.074 . . . . . . . 1034 GLU CB . 53039 1 93 . 1 . 1 25 25 GLU N N 15 122.631 0.017 . . . . . . . 1034 GLU N . 53039 1 94 . 1 . 1 26 26 GLU H H 1 8.424 0.003 . . . . . . . 1035 GLU H . 53039 1 95 . 1 . 1 26 26 GLU CA C 13 56.652 0.023 . . . . . . . 1035 GLU CA . 53039 1 96 . 1 . 1 26 26 GLU CB C 13 30.931 0.019 . . . . . . . 1035 GLU CB . 53039 1 97 . 1 . 1 26 26 GLU N N 15 123.03 0.013 . . . . . . . 1035 GLU N . 53039 1 98 . 1 . 1 27 27 GLU H H 1 8.472 0.001 . . . . . . . 1036 GLU H . 53039 1 99 . 1 . 1 27 27 GLU CA C 13 56.64 0.011 . . . . . . . 1036 GLU CA . 53039 1 100 . 1 . 1 27 27 GLU CB C 13 30.965 0 . . . . . . . 1036 GLU CB . 53039 1 101 . 1 . 1 27 27 GLU N N 15 123.226 0.009 . . . . . . . 1036 GLU N . 53039 1 102 . 1 . 1 28 28 GLU H H 1 8.535 0.001 . . . . . . . 1037 GLU H . 53039 1 103 . 1 . 1 28 28 GLU CA C 13 57.034 0.027 . . . . . . . 1037 GLU CA . 53039 1 104 . 1 . 1 28 28 GLU CB C 13 30.759 0.009 . . . . . . . 1037 GLU CB . 53039 1 105 . 1 . 1 28 28 GLU N N 15 123.36 0.042 . . . . . . . 1037 GLU N . 53039 1 106 . 1 . 1 29 29 GLY H H 1 8.466 0.002 . . . . . . . 1038 GLY H . 53039 1 107 . 1 . 1 29 29 GLY CA C 13 45.658 0.027 . . . . . . . 1038 GLY CA . 53039 1 108 . 1 . 1 29 29 GLY N N 15 110.648 0.022 . . . . . . . 1038 GLY N . 53039 1 109 . 1 . 1 30 30 GLY H H 1 8.27 0.001 . . . . . . . 1039 GLY H . 53039 1 110 . 1 . 1 30 30 GLY CA C 13 45.477 0.017 . . . . . . . 1039 GLY CA . 53039 1 111 . 1 . 1 30 30 GLY N N 15 108.97 0.017 . . . . . . . 1039 GLY N . 53039 1 112 . 1 . 1 31 31 ALA H H 1 8.19 0.001 . . . . . . . 1040 ALA H . 53039 1 113 . 1 . 1 31 31 ALA CA C 13 52.71 0.014 . . . . . . . 1040 ALA CA . 53039 1 114 . 1 . 1 31 31 ALA CB C 13 19.81 0.003 . . . . . . . 1040 ALA CB . 53039 1 115 . 1 . 1 31 31 ALA N N 15 123.715 0.016 . . . . . . . 1040 ALA N . 53039 1 116 . 1 . 1 32 32 GLU H H 1 8.481 0.001 . . . . . . . 1041 GLU H . 53039 1 117 . 1 . 1 32 32 GLU CA C 13 56.971 0.016 . . . . . . . 1041 GLU CA . 53039 1 118 . 1 . 1 32 32 GLU CB C 13 30.449 0.019 . . . . . . . 1041 GLU CB . 53039 1 119 . 1 . 1 32 32 GLU N N 15 120.5 0.011 . . . . . . . 1041 GLU N . 53039 1 120 . 1 . 1 33 33 THR H H 1 8.136 0.001 . . . . . . . 1042 THR H . 53039 1 121 . 1 . 1 33 33 THR CA C 13 62.081 0.021 . . . . . . . 1042 THR CA . 53039 1 122 . 1 . 1 33 33 THR CB C 13 70.192 0.02 . . . . . . . 1042 THR CB . 53039 1 123 . 1 . 1 33 33 THR N N 15 115.19 0.015 . . . . . . . 1042 THR N . 53039 1 124 . 1 . 1 34 34 GLU H H 1 8.385 0.002 . . . . . . . 1043 GLU H . 53039 1 125 . 1 . 1 34 34 GLU CA C 13 56.808 0.005 . . . . . . . 1043 GLU CA . 53039 1 126 . 1 . 1 34 34 GLU CB C 13 30.749 0 . . . . . . . 1043 GLU CB . 53039 1 127 . 1 . 1 34 34 GLU N N 15 123.547 0.017 . . . . . . . 1043 GLU N . 53039 1 128 . 1 . 1 35 35 GLU H H 1 8.434 0.003 . . . . . . . 1044 GLU H . 53039 1 129 . 1 . 1 35 35 GLU CA C 13 56.96 0.046 . . . . . . . 1044 GLU CA . 53039 1 130 . 1 . 1 35 35 GLU CB C 13 30.67 0.038 . . . . . . . 1044 GLU CB . 53039 1 131 . 1 . 1 35 35 GLU N N 15 122.784 0.014 . . . . . . . 1044 GLU N . 53039 1 132 . 1 . 1 36 36 GLN H H 1 8.436 0.001 . . . . . . . 1045 GLN H . 53039 1 133 . 1 . 1 36 36 GLN HE21 H 1 7.471 0 . . . . . . . 1045 GLN HE21 . 53039 1 134 . 1 . 1 36 36 GLN HE22 H 1 6.79 0 . . . . . . . 1045 GLN HE22 . 53039 1 135 . 1 . 1 36 36 GLN CA C 13 55.952 0.019 . . . . . . . 1045 GLN CA . 53039 1 136 . 1 . 1 36 36 GLN CB C 13 29.771 0.022 . . . . . . . 1045 GLN CB . 53039 1 137 . 1 . 1 36 36 GLN CG C 13 34.047 0 . . . . . . . 1045 GLN CG . 53039 1 138 . 1 . 1 36 36 GLN N N 15 122.002 0.028 . . . . . . . 1045 GLN N . 53039 1 139 . 1 . 1 36 36 GLN NE2 N 15 112.613 0 . . . . . . . 1045 GLN NE2 . 53039 1 140 . 1 . 1 37 37 SER H H 1 8.427 0.001 . . . . . . . 1046 SER H . 53039 1 141 . 1 . 1 37 37 SER CA C 13 58.852 0.022 . . . . . . . 1046 SER CA . 53039 1 142 . 1 . 1 37 37 SER CB C 13 64.244 0.011 . . . . . . . 1046 SER CB . 53039 1 143 . 1 . 1 37 37 SER N N 15 117.618 0.01 . . . . . . . 1046 SER N . 53039 1 144 . 1 . 1 38 38 GLY H H 1 8.466 0.001 . . . . . . . 1047 GLY H . 53039 1 145 . 1 . 1 38 38 GLY CA C 13 45.663 0.021 . . . . . . . 1047 GLY CA . 53039 1 146 . 1 . 1 38 38 GLY N N 15 110.875 0.017 . . . . . . . 1047 GLY N . 53039 1 147 . 1 . 1 39 39 ASN H H 1 8.287 0.001 . . . . . . . 1048 ASN H . 53039 1 148 . 1 . 1 39 39 ASN CA C 13 53.518 0.039 . . . . . . . 1048 ASN CA . 53039 1 149 . 1 . 1 39 39 ASN CB C 13 39.403 0.027 . . . . . . . 1048 ASN CB . 53039 1 150 . 1 . 1 39 39 ASN N N 15 118.629 0.02 . . . . . . . 1048 ASN N . 53039 1 151 . 1 . 1 40 40 GLU H H 1 8.553 0.001 . . . . . . . 1049 GLU H . 53039 1 152 . 1 . 1 40 40 GLU CA C 13 57.347 0.017 . . . . . . . 1049 GLU CA . 53039 1 153 . 1 . 1 40 40 GLU CB C 13 30.304 0.016 . . . . . . . 1049 GLU CB . 53039 1 154 . 1 . 1 40 40 GLU N N 15 121.604 0.01 . . . . . . . 1049 GLU N . 53039 1 155 . 1 . 1 41 41 SER H H 1 8.259 0.001 . . . . . . . 1050 SER H . 53039 1 156 . 1 . 1 41 41 SER CA C 13 58.773 0.024 . . . . . . . 1050 SER CA . 53039 1 157 . 1 . 1 41 41 SER CB C 13 64.143 0.024 . . . . . . . 1050 SER CB . 53039 1 158 . 1 . 1 41 41 SER N N 15 116.347 0.01 . . . . . . . 1050 SER N . 53039 1 159 . 1 . 1 42 42 GLU H H 1 8.313 0.001 . . . . . . . 1051 GLU H . 53039 1 160 . 1 . 1 42 42 GLU CA C 13 56.805 0.029 . . . . . . . 1051 GLU CA . 53039 1 161 . 1 . 1 42 42 GLU CB C 13 30.641 0.008 . . . . . . . 1051 GLU CB . 53039 1 162 . 1 . 1 42 42 GLU N N 15 122.996 0.011 . . . . . . . 1051 GLU N . 53039 1 163 . 1 . 1 43 43 VAL H H 1 8.109 0.002 . . . . . . . 1052 VAL H . 53039 1 164 . 1 . 1 43 43 VAL CA C 13 62.4 0.023 . . . . . . . 1052 VAL CA . 53039 1 165 . 1 . 1 43 43 VAL CB C 13 33.161 0.042 . . . . . . . 1052 VAL CB . 53039 1 166 . 1 . 1 43 43 VAL N N 15 121.231 0.018 . . . . . . . 1052 VAL N . 53039 1 167 . 1 . 1 44 44 ASN H H 1 8.454 0.001 . . . . . . . 1053 ASN H . 53039 1 168 . 1 . 1 44 44 ASN CA C 13 53.227 0.022 . . . . . . . 1053 ASN CA . 53039 1 169 . 1 . 1 44 44 ASN CB C 13 39.861 0.014 . . . . . . . 1053 ASN CB . 53039 1 170 . 1 . 1 44 44 ASN N N 15 123.373 0.021 . . . . . . . 1053 ASN N . 53039 1 171 . 1 . 1 45 45 GLU H H 1 8.359 0 . . . . . . . 1054 GLU H . 53039 1 172 . 1 . 1 45 45 GLU CA C 13 54.647 0.013 . . . . . . . 1054 GLU CA . 53039 1 173 . 1 . 1 45 45 GLU CB C 13 30.043 0 . . . . . . . 1054 GLU CB . 53039 1 174 . 1 . 1 45 45 GLU N N 15 123.172 0.006 . . . . . . . 1054 GLU N . 53039 1 175 . 1 . 1 46 46 PRO CA C 13 63.345 0.013 . . . . . . . 1055 PRO CA . 53039 1 176 . 1 . 1 46 46 PRO CB C 13 32.453 0.016 . . . . . . . 1055 PRO CB . 53039 1 177 . 1 . 1 47 47 GLU H H 1 8.466 0.001 . . . . . . . 1056 GLU H . 53039 1 178 . 1 . 1 47 47 GLU CA C 13 56.801 0.161 . . . . . . . 1056 GLU CA . 53039 1 179 . 1 . 1 47 47 GLU CB C 13 30.846 0.013 . . . . . . . 1056 GLU CB . 53039 1 180 . 1 . 1 47 47 GLU N N 15 121.619 0.011 . . . . . . . 1056 GLU N . 53039 1 181 . 1 . 1 48 48 GLU H H 1 8.381 0.001 . . . . . . . 1057 GLU H . 53039 1 182 . 1 . 1 48 48 GLU CA C 13 56.636 0.001 . . . . . . . 1057 GLU CA . 53039 1 183 . 1 . 1 48 48 GLU CB C 13 30.927 0 . . . . . . . 1057 GLU CB . 53039 1 184 . 1 . 1 48 48 GLU N N 15 122.301 0.024 . . . . . . . 1057 GLU N . 53039 1 185 . 1 . 1 49 49 GLU H H 1 8.45 0.004 . . . . . . . 1058 GLU H . 53039 1 186 . 1 . 1 49 49 GLU CA C 13 56.624 0.009 . . . . . . . 1058 GLU CA . 53039 1 187 . 1 . 1 49 49 GLU CB C 13 30.981 0 . . . . . . . 1058 GLU CB . 53039 1 188 . 1 . 1 49 49 GLU N N 15 122.886 0.07 . . . . . . . 1058 GLU N . 53039 1 189 . 1 . 1 50 50 GLU H H 1 8.504 0.001 . . . . . . . 1059 GLU H . 53039 1 190 . 1 . 1 50 50 GLU CA C 13 56.985 0 . . . . . . . 1059 GLU CA . 53039 1 191 . 1 . 1 50 50 GLU CB C 13 30.897 0 . . . . . . . 1059 GLU CB . 53039 1 192 . 1 . 1 50 50 GLU N N 15 123.27 0.018 . . . . . . . 1059 GLU N . 53039 1 193 . 1 . 1 51 51 GLY H H 1 8.454 0.004 . . . . . . . 1060 GLY H . 53039 1 194 . 1 . 1 51 51 GLY CA C 13 45.563 0.011 . . . . . . . 1060 GLY CA . 53039 1 195 . 1 . 1 51 51 GLY N N 15 110.645 0.013 . . . . . . . 1060 GLY N . 53039 1 196 . 1 . 1 52 52 SER H H 1 8.212 0.001 . . . . . . . 1061 SER H . 53039 1 197 . 1 . 1 52 52 SER CA C 13 58.344 0.014 . . . . . . . 1061 SER CA . 53039 1 198 . 1 . 1 52 52 SER CB C 13 64.483 0.002 . . . . . . . 1061 SER CB . 53039 1 199 . 1 . 1 52 52 SER N N 15 115.495 0.011 . . . . . . . 1061 SER N . 53039 1 200 . 1 . 1 53 53 ASP H H 1 8.425 0.001 . . . . . . . 1062 ASP H . 53039 1 201 . 1 . 1 53 53 ASP CA C 13 54.598 0.016 . . . . . . . 1062 ASP CA . 53039 1 202 . 1 . 1 53 53 ASP CB C 13 41.446 0.023 . . . . . . . 1062 ASP CB . 53039 1 203 . 1 . 1 53 53 ASP N N 15 122.383 0.012 . . . . . . . 1062 ASP N . 53039 1 204 . 1 . 1 54 54 ASN H H 1 8.295 0.001 . . . . . . . 1063 ASN H . 53039 1 205 . 1 . 1 54 54 ASN CA C 13 53.543 0.028 . . . . . . . 1063 ASN CA . 53039 1 206 . 1 . 1 54 54 ASN CB C 13 39.637 0.044 . . . . . . . 1063 ASN CB . 53039 1 207 . 1 . 1 54 54 ASN N N 15 118.955 0.019 . . . . . . . 1063 ASN N . 53039 1 208 . 1 . 1 55 55 ASP H H 1 8.329 0.003 . . . . . . . 1064 ASP H . 53039 1 209 . 1 . 1 55 55 ASP CA C 13 54.661 0.002 . . . . . . . 1064 ASP CA . 53039 1 210 . 1 . 1 55 55 ASP CB C 13 41.629 0 . . . . . . . 1064 ASP CB . 53039 1 211 . 1 . 1 55 55 ASP N N 15 121.567 0.045 . . . . . . . 1064 ASP N . 53039 1 212 . 1 . 1 56 56 ASP H H 1 8.227 0.003 . . . . . . . 1065 ASP H . 53039 1 213 . 1 . 1 56 56 ASP CA C 13 54.696 0.025 . . . . . . . 1065 ASP CA . 53039 1 214 . 1 . 1 56 56 ASP CB C 13 41.588 0 . . . . . . . 1065 ASP CB . 53039 1 215 . 1 . 1 56 56 ASP N N 15 120.775 0.036 . . . . . . . 1065 ASP N . 53039 1 216 . 1 . 1 57 57 ASP H H 1 8.22 0.003 . . . . . . . 1066 ASP H . 53039 1 217 . 1 . 1 57 57 ASP CA C 13 54.647 0.052 . . . . . . . 1066 ASP CA . 53039 1 218 . 1 . 1 57 57 ASP CB C 13 41.675 0.026 . . . . . . . 1066 ASP CB . 53039 1 219 . 1 . 1 57 57 ASP N N 15 120.913 0.073 . . . . . . . 1066 ASP N . 53039 1 220 . 1 . 1 58 58 GLU H H 1 8.337 0.002 . . . . . . . 1067 GLU H . 53039 1 221 . 1 . 1 58 58 GLU CA C 13 57.053 0.012 . . . . . . . 1067 GLU CA . 53039 1 222 . 1 . 1 58 58 GLU CB C 13 30.646 0.019 . . . . . . . 1067 GLU CB . 53039 1 223 . 1 . 1 58 58 GLU N N 15 121.771 0.056 . . . . . . . 1067 GLU N . 53039 1 224 . 1 . 1 59 59 GLY H H 1 8.356 0.001 . . . . . . . 1068 GLY H . 53039 1 225 . 1 . 1 59 59 GLY CA C 13 45.508 0.005 . . . . . . . 1068 GLY CA . 53039 1 226 . 1 . 1 59 59 GLY N N 15 109.93 0.023 . . . . . . . 1068 GLY N . 53039 1 227 . 1 . 1 60 60 GLU H H 1 8.23 0.001 . . . . . . . 1069 GLU H . 53039 1 228 . 1 . 1 60 60 GLU CA C 13 56.4 0.013 . . . . . . . 1069 GLU CA . 53039 1 229 . 1 . 1 60 60 GLU CB C 13 31.07 0.033 . . . . . . . 1069 GLU CB . 53039 1 230 . 1 . 1 60 60 GLU N N 15 120.522 0.01 . . . . . . . 1069 GLU N . 53039 1 231 . 1 . 1 61 61 GLU H H 1 8.469 0.001 . . . . . . . 1070 GLU H . 53039 1 232 . 1 . 1 61 61 GLU CA C 13 56.635 0.011 . . . . . . . 1070 GLU CA . 53039 1 233 . 1 . 1 61 61 GLU CB C 13 30.936 0 . . . . . . . 1070 GLU CB . 53039 1 234 . 1 . 1 61 61 GLU N N 15 122.541 0.017 . . . . . . . 1070 GLU N . 53039 1 235 . 1 . 1 62 62 GLU H H 1 8.453 0.003 . . . . . . . 1071 GLU H . 53039 1 236 . 1 . 1 62 62 GLU CA C 13 56.625 0 . . . . . . . 1071 GLU CA . 53039 1 237 . 1 . 1 62 62 GLU CB C 13 30.807 0 . . . . . . . 1071 GLU CB . 53039 1 238 . 1 . 1 62 62 GLU N N 15 122.991 0.03 . . . . . . . 1071 GLU N . 53039 1 239 . 1 . 1 63 63 GLU H H 1 8.456 0.003 . . . . . . . 1072 GLU H . 53039 1 240 . 1 . 1 63 63 GLU CA C 13 56.625 0 . . . . . . . 1072 GLU CA . 53039 1 241 . 1 . 1 63 63 GLU CB C 13 30.981 0 . . . . . . . 1072 GLU CB . 53039 1 242 . 1 . 1 63 63 GLU N N 15 123.098 0.051 . . . . . . . 1072 GLU N . 53039 1 243 . 1 . 1 64 64 GLU H H 1 8.458 0.002 . . . . . . . 1073 GLU H . 53039 1 244 . 1 . 1 64 64 GLU CA C 13 56.625 0 . . . . . . . 1073 GLU CA . 53039 1 245 . 1 . 1 64 64 GLU CB C 13 30.981 0 . . . . . . . 1073 GLU CB . 53039 1 246 . 1 . 1 64 64 GLU N N 15 123.125 0.06 . . . . . . . 1073 GLU N . 53039 1 247 . 1 . 1 65 65 GLU H H 1 8.482 0.003 . . . . . . . 1074 GLU H . 53039 1 248 . 1 . 1 65 65 GLU CA C 13 56.754 0.069 . . . . . . . 1074 GLU CA . 53039 1 249 . 1 . 1 65 65 GLU CB C 13 30.843 0.016 . . . . . . . 1074 GLU CB . 53039 1 250 . 1 . 1 65 65 GLU N N 15 123.055 0.013 . . . . . . . 1074 GLU N . 53039 1 251 . 1 . 1 66 66 ASN H H 1 8.55 0.002 . . . . . . . 1075 ASN H . 53039 1 252 . 1 . 1 66 66 ASN CA C 13 53.503 0.004 . . . . . . . 1075 ASN CA . 53039 1 253 . 1 . 1 66 66 ASN CB C 13 39.431 0.001 . . . . . . . 1075 ASN CB . 53039 1 254 . 1 . 1 66 66 ASN N N 15 121.184 0.021 . . . . . . . 1075 ASN N . 53039 1 255 . 1 . 1 67 67 THR H H 1 8.235 0.001 . . . . . . . 1076 THR H . 53039 1 256 . 1 . 1 67 67 THR CA C 13 62.159 0.016 . . . . . . . 1076 THR CA . 53039 1 257 . 1 . 1 67 67 THR CB C 13 69.7 0.004 . . . . . . . 1076 THR CB . 53039 1 258 . 1 . 1 67 67 THR N N 15 115.096 0.009 . . . . . . . 1076 THR N . 53039 1 259 . 1 . 1 68 68 ASP H H 1 8.3 0.003 . . . . . . . 1077 ASP H . 53039 1 260 . 1 . 1 68 68 ASP CA C 13 55.099 0.014 . . . . . . . 1077 ASP CA . 53039 1 261 . 1 . 1 68 68 ASP CB C 13 41.136 0.021 . . . . . . . 1077 ASP CB . 53039 1 262 . 1 . 1 68 68 ASP N N 15 123.002 0.013 . . . . . . . 1077 ASP N . 53039 1 263 . 1 . 1 69 69 TYR H H 1 7.927 0.001 . . . . . . . 1078 TYR H . 53039 1 264 . 1 . 1 69 69 TYR CA C 13 58.255 0.013 . . . . . . . 1078 TYR CA . 53039 1 265 . 1 . 1 69 69 TYR CB C 13 38.566 0.002 . . . . . . . 1078 TYR CB . 53039 1 266 . 1 . 1 69 69 TYR N N 15 119.74 0.009 . . . . . . . 1078 TYR N . 53039 1 267 . 1 . 1 70 70 LEU H H 1 7.936 0.001 . . . . . . . 1079 LEU H . 53039 1 268 . 1 . 1 70 70 LEU CA C 13 55.568 0.016 . . . . . . . 1079 LEU CA . 53039 1 269 . 1 . 1 70 70 LEU CB C 13 42.538 0.016 . . . . . . . 1079 LEU CB . 53039 1 270 . 1 . 1 70 70 LEU N N 15 123.127 0.011 . . . . . . . 1079 LEU N . 53039 1 271 . 1 . 1 71 71 THR H H 1 7.96 0.001 . . . . . . . 1080 THR H . 53039 1 272 . 1 . 1 71 71 THR CA C 13 62.346 0.024 . . . . . . . 1080 THR CA . 53039 1 273 . 1 . 1 71 71 THR CB C 13 70.044 0.003 . . . . . . . 1080 THR CB . 53039 1 274 . 1 . 1 71 71 THR N N 15 114.601 0.016 . . . . . . . 1080 THR N . 53039 1 275 . 1 . 1 72 72 ASP H H 1 8.252 0.001 . . . . . . . 1081 ASP H . 53039 1 276 . 1 . 1 72 72 ASP CA C 13 54.722 0.023 . . . . . . . 1081 ASP CA . 53039 1 277 . 1 . 1 72 72 ASP CB C 13 41.499 0.011 . . . . . . . 1081 ASP CB . 53039 1 278 . 1 . 1 72 72 ASP N N 15 122.72 0.009 . . . . . . . 1081 ASP N . 53039 1 279 . 1 . 1 73 73 SER H H 1 8.195 0.001 . . . . . . . 1082 SER H . 53039 1 280 . 1 . 1 73 73 SER CA C 13 59.068 0.03 . . . . . . . 1082 SER CA . 53039 1 281 . 1 . 1 73 73 SER CB C 13 64.019 0.003 . . . . . . . 1082 SER CB . 53039 1 282 . 1 . 1 73 73 SER N N 15 116.421 0.012 . . . . . . . 1082 SER N . 53039 1 283 . 1 . 1 74 74 ASN H H 1 8.4 0.001 . . . . . . . 1083 ASN H . 53039 1 284 . 1 . 1 74 74 ASN CA C 13 53.793 0.019 . . . . . . . 1083 ASN CA . 53039 1 285 . 1 . 1 74 74 ASN CB C 13 39.165 0.01 . . . . . . . 1083 ASN CB . 53039 1 286 . 1 . 1 74 74 ASN N N 15 120.617 0.011 . . . . . . . 1083 ASN N . 53039 1 287 . 1 . 1 75 75 LYS H H 1 8.101 0.001 . . . . . . . 1084 LYS H . 53039 1 288 . 1 . 1 75 75 LYS CA C 13 56.755 0 . . . . . . . 1084 LYS CA . 53039 1 289 . 1 . 1 75 75 LYS CB C 13 33.22 0.038 . . . . . . . 1084 LYS CB . 53039 1 290 . 1 . 1 75 75 LYS N N 15 121.555 0.01 . . . . . . . 1084 LYS N . 53039 1 291 . 1 . 1 76 76 GLU H H 1 8.389 0.001 . . . . . . . 1085 GLU H . 53039 1 292 . 1 . 1 76 76 GLU CA C 13 57.158 0.011 . . . . . . . 1085 GLU CA . 53039 1 293 . 1 . 1 76 76 GLU CB C 13 30.379 0.011 . . . . . . . 1085 GLU CB . 53039 1 294 . 1 . 1 76 76 GLU N N 15 121.544 0.013 . . . . . . . 1085 GLU N . 53039 1 295 . 1 . 1 77 77 ASN H H 1 8.328 0.001 . . . . . . . 1086 ASN H . 53039 1 296 . 1 . 1 77 77 ASN CA C 13 53.592 0.008 . . . . . . . 1086 ASN CA . 53039 1 297 . 1 . 1 77 77 ASN CB C 13 39.466 0 . . . . . . . 1086 ASN CB . 53039 1 298 . 1 . 1 77 77 ASN N N 15 118.839 0.012 . . . . . . . 1086 ASN N . 53039 1 299 . 1 . 1 78 78 GLU H H 1 8.333 0.002 . . . . . . . 1087 GLU H . 53039 1 300 . 1 . 1 78 78 GLU CA C 13 57.109 0.02 . . . . . . . 1087 GLU CA . 53039 1 301 . 1 . 1 78 78 GLU CB C 13 30.641 0.009 . . . . . . . 1087 GLU CB . 53039 1 302 . 1 . 1 78 78 GLU N N 15 121.538 0.024 . . . . . . . 1087 GLU N . 53039 1 303 . 1 . 1 79 79 THR H H 1 8.13 0.002 . . . . . . . 1088 THR H . 53039 1 304 . 1 . 1 79 79 THR CA C 13 61.878 0.022 . . . . . . . 1088 THR CA . 53039 1 305 . 1 . 1 79 79 THR CB C 13 70.269 0.042 . . . . . . . 1088 THR CB . 53039 1 306 . 1 . 1 79 79 THR N N 15 114.602 0.015 . . . . . . . 1088 THR N . 53039 1 307 . 1 . 1 80 80 ASP H H 1 8.325 0.002 . . . . . . . 1089 ASP H . 53039 1 308 . 1 . 1 80 80 ASP CA C 13 54.665 0.005 . . . . . . . 1089 ASP CA . 53039 1 309 . 1 . 1 80 80 ASP CB C 13 41.563 0 . . . . . . . 1089 ASP CB . 53039 1 310 . 1 . 1 80 80 ASP N N 15 123.02 0.013 . . . . . . . 1089 ASP N . 53039 1 311 . 1 . 1 81 81 GLU H H 1 8.333 0.001 . . . . . . . 1090 GLU H . 53039 1 312 . 1 . 1 81 81 GLU CA C 13 56.989 0 . . . . . . . 1090 GLU CA . 53039 1 313 . 1 . 1 81 81 GLU CB C 13 30.687 0 . . . . . . . 1090 GLU CB . 53039 1 314 . 1 . 1 81 81 GLU N N 15 121.484 0.023 . . . . . . . 1090 GLU N . 53039 1 315 . 1 . 1 82 82 GLU H H 1 8.384 0.003 . . . . . . . 1091 GLU H . 53039 1 316 . 1 . 1 82 82 GLU CA C 13 57.12 0.023 . . . . . . . 1091 GLU CA . 53039 1 317 . 1 . 1 82 82 GLU CB C 13 30.573 0.016 . . . . . . . 1091 GLU CB . 53039 1 318 . 1 . 1 82 82 GLU N N 15 121.421 0.044 . . . . . . . 1091 GLU N . 53039 1 319 . 1 . 1 83 83 ASN H H 1 8.355 0.002 . . . . . . . 1092 ASN H . 53039 1 320 . 1 . 1 83 83 ASN CA C 13 53.586 0.027 . . . . . . . 1092 ASN CA . 53039 1 321 . 1 . 1 83 83 ASN CB C 13 39.219 0.014 . . . . . . . 1092 ASN CB . 53039 1 322 . 1 . 1 83 83 ASN N N 15 119.808 0.012 . . . . . . . 1092 ASN N . 53039 1 323 . 1 . 1 84 84 THR H H 1 8.107 0.001 . . . . . . . 1093 THR H . 53039 1 324 . 1 . 1 84 84 THR CA C 13 62.833 0.039 . . . . . . . 1093 THR CA . 53039 1 325 . 1 . 1 84 84 THR CB C 13 69.95 0.041 . . . . . . . 1093 THR CB . 53039 1 326 . 1 . 1 84 84 THR N N 15 114.89 0.036 . . . . . . . 1093 THR N . 53039 1 327 . 1 . 1 85 85 GLU H H 1 8.338 0.001 . . . . . . . 1094 GLU H . 53039 1 328 . 1 . 1 85 85 GLU CA C 13 57.42 0.02 . . . . . . . 1094 GLU CA . 53039 1 329 . 1 . 1 85 85 GLU CB C 13 30.391 0.027 . . . . . . . 1094 GLU CB . 53039 1 330 . 1 . 1 85 85 GLU N N 15 122.822 0.021 . . . . . . . 1094 GLU N . 53039 1 331 . 1 . 1 86 86 VAL H H 1 7.931 0.002 . . . . . . . 1095 VAL H . 53039 1 332 . 1 . 1 86 86 VAL CA C 13 63.154 0.027 . . . . . . . 1095 VAL CA . 53039 1 333 . 1 . 1 86 86 VAL CB C 13 32.737 0.037 . . . . . . . 1095 VAL CB . 53039 1 334 . 1 . 1 86 86 VAL N N 15 120.142 0.016 . . . . . . . 1095 VAL N . 53039 1 335 . 1 . 1 87 87 MET H H 1 8.189 0.001 . . . . . . . 1096 MET H . 53039 1 336 . 1 . 1 87 87 MET CA C 13 56.05 0.025 . . . . . . . 1096 MET CA . 53039 1 337 . 1 . 1 87 87 MET CB C 13 33.108 0.028 . . . . . . . 1096 MET CB . 53039 1 338 . 1 . 1 87 87 MET N N 15 123.253 0.017 . . . . . . . 1096 MET N . 53039 1 339 . 1 . 1 88 88 ILE H H 1 8.067 0.001 . . . . . . . 1097 ILE H . 53039 1 340 . 1 . 1 88 88 ILE CA C 13 61.607 0.029 . . . . . . . 1097 ILE CA . 53039 1 341 . 1 . 1 88 88 ILE CB C 13 38.81 0.036 . . . . . . . 1097 ILE CB . 53039 1 342 . 1 . 1 88 88 ILE N N 15 122.2 0.011 . . . . . . . 1097 ILE N . 53039 1 343 . 1 . 1 89 89 LYS H H 1 8.332 0.001 . . . . . . . 1098 LYS H . 53039 1 344 . 1 . 1 89 89 LYS CA C 13 56.966 0.022 . . . . . . . 1098 LYS CA . 53039 1 345 . 1 . 1 89 89 LYS CB C 13 33.16 0.006 . . . . . . . 1098 LYS CB . 53039 1 346 . 1 . 1 89 89 LYS N N 15 125.223 0.018 . . . . . . . 1098 LYS N . 53039 1 347 . 1 . 1 90 90 GLY H H 1 8.371 0.004 . . . . . . . 1099 GLY H . 53039 1 348 . 1 . 1 90 90 GLY CA C 13 45.533 0 . . . . . . . 1099 GLY CA . 53039 1 349 . 1 . 1 90 90 GLY N N 15 110.278 0.022 . . . . . . . 1099 GLY N . 53039 1 350 . 1 . 1 91 91 GLY H H 1 8.244 0.002 . . . . . . . 1100 GLY H . 53039 1 351 . 1 . 1 91 91 GLY CA C 13 45.629 0 . . . . . . . 1100 GLY CA . 53039 1 352 . 1 . 1 91 91 GLY N N 15 108.603 0.013 . . . . . . . 1100 GLY N . 53039 1 353 . 1 . 1 92 92 GLY H H 1 8.247 0.003 . . . . . . . 1101 GLY H . 53039 1 354 . 1 . 1 92 92 GLY CA C 13 45.451 0.009 . . . . . . . 1101 GLY CA . 53039 1 355 . 1 . 1 92 92 GLY N N 15 108.596 0.011 . . . . . . . 1101 GLY N . 53039 1 356 . 1 . 1 93 93 LEU H H 1 8.032 0.001 . . . . . . . 1102 LEU H . 53039 1 357 . 1 . 1 93 93 LEU CA C 13 55.425 0.018 . . . . . . . 1102 LEU CA . 53039 1 358 . 1 . 1 93 93 LEU CB C 13 42.789 0.02 . . . . . . . 1102 LEU CB . 53039 1 359 . 1 . 1 93 93 LEU N N 15 121.375 0.008 . . . . . . . 1102 LEU N . 53039 1 360 . 1 . 1 94 94 LYS H H 1 8.228 0.001 . . . . . . . 1103 LYS H . 53039 1 361 . 1 . 1 94 94 LYS CA C 13 56.348 0.072 . . . . . . . 1103 LYS CA . 53039 1 362 . 1 . 1 94 94 LYS CB C 13 33.388 0.012 . . . . . . . 1103 LYS CB . 53039 1 363 . 1 . 1 94 94 LYS N N 15 122.027 0.022 . . . . . . . 1103 LYS N . 53039 1 364 . 1 . 1 95 95 HIS H H 1 8.27 0.023 . . . . . . . 1104 HIS H . 53039 1 365 . 1 . 1 95 95 HIS CA C 13 56.551 0.005 . . . . . . . 1104 HIS CA . 53039 1 366 . 1 . 1 95 95 HIS CB C 13 31.256 0.018 . . . . . . . 1104 HIS CB . 53039 1 367 . 1 . 1 95 95 HIS N N 15 121.372 0.102 . . . . . . . 1104 HIS N . 53039 1 368 . 1 . 1 96 96 VAL H H 1 7.914 0.001 . . . . . . . 1105 VAL H . 53039 1 369 . 1 . 1 96 96 VAL CA C 13 59.791 0.017 . . . . . . . 1105 VAL CA . 53039 1 370 . 1 . 1 96 96 VAL CB C 13 33.104 0 . . . . . . . 1105 VAL CB . 53039 1 371 . 1 . 1 96 96 VAL N N 15 124.383 0.03 . . . . . . . 1105 VAL N . 53039 1 stop_ save_