################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27939 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chemical_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' . . . 27939 1 2 '3D CBCA(CO)NH' . . . 27939 1 3 '3D HNCACB' . . . 27939 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 $CARA . . 27939 1 2 $NMRPipe . . 27939 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 MET CA C 13 55.289 0.300 . 1 . . . . . 1 MET CA . 27939 1 2 . 1 . 1 2 2 MET CB C 13 32.648 0.300 . 1 . . . . . 1 MET CB . 27939 1 3 . 1 . 1 3 3 SER H H 1 8.474 0.020 . 1 . . . . . 2 SER H . 27939 1 4 . 1 . 1 3 3 SER CA C 13 58.192 0.300 . 1 . . . . . 2 SER CA . 27939 1 5 . 1 . 1 3 3 SER CB C 13 63.546 0.300 . 1 . . . . . 2 SER CB . 27939 1 6 . 1 . 1 3 3 SER N N 15 117.579 0.300 . 1 . . . . . 2 SER N . 27939 1 7 . 1 . 1 4 4 GLY H H 1 8.425 0.020 . 1 . . . . . 3 GLY H . 27939 1 8 . 1 . 1 4 4 GLY CA C 13 45.088 0.300 . 1 . . . . . 3 GLY CA . 27939 1 9 . 1 . 1 4 4 GLY N N 15 111.098 0.300 . 1 . . . . . 3 GLY N . 27939 1 10 . 1 . 1 5 5 GLY H H 1 8.232 0.020 . 1 . . . . . 4 GLY H . 27939 1 11 . 1 . 1 5 5 GLY CA C 13 45.034 0.300 . 1 . . . . . 4 GLY CA . 27939 1 12 . 1 . 1 5 5 GLY N N 15 108.769 0.300 . 1 . . . . . 4 GLY N . 27939 1 13 . 1 . 1 6 6 SER H H 1 8.246 0.020 . 1 . . . . . 5 SER H . 27939 1 14 . 1 . 1 6 6 SER CA C 13 58.128 0.300 . 1 . . . . . 5 SER CA . 27939 1 15 . 1 . 1 6 6 SER CB C 13 63.675 0.300 . 1 . . . . . 5 SER CB . 27939 1 16 . 1 . 1 6 6 SER N N 15 115.630 0.300 . 1 . . . . . 5 SER N . 27939 1 17 . 1 . 1 7 7 SER H H 1 8.386 0.020 . 1 . . . . . 6 SER H . 27939 1 18 . 1 . 1 7 7 SER CA C 13 58.192 0.300 . 1 . . . . . 6 SER CA . 27939 1 19 . 1 . 1 7 7 SER CB C 13 63.546 0.300 . 1 . . . . . 6 SER CB . 27939 1 20 . 1 . 1 7 7 SER N N 15 117.746 0.300 . 1 . . . . . 6 SER N . 27939 1 21 . 1 . 1 8 8 CYS H H 1 8.283 0.020 . 1 . . . . . 7 CYS H . 27939 1 22 . 1 . 1 8 8 CYS CA C 13 58.192 0.300 . 1 . . . . . 7 CYS CA . 27939 1 23 . 1 . 1 8 8 CYS CB C 13 27.617 0.300 . 1 . . . . . 7 CYS CB . 27939 1 24 . 1 . 1 8 8 CYS N N 15 120.602 0.300 . 1 . . . . . 7 CYS N . 27939 1 25 . 1 . 1 9 9 SER H H 1 8.304 0.020 . 1 . . . . . 8 SER H . 27939 1 26 . 1 . 1 9 9 SER CA C 13 58.192 0.300 . 1 . . . . . 8 SER CA . 27939 1 27 . 1 . 1 9 9 SER CB C 13 63.546 0.300 . 1 . . . . . 8 SER CB . 27939 1 28 . 1 . 1 9 9 SER N N 15 118.123 0.300 . 1 . . . . . 8 SER N . 27939 1 29 . 1 . 1 10 10 GLN H H 1 8.305 0.020 . 1 . . . . . 9 GLN H . 27939 1 30 . 1 . 1 10 10 GLN CA C 13 55.323 0.300 . 1 . . . . . 9 GLN CA . 27939 1 31 . 1 . 1 10 10 GLN CB C 13 29.173 0.300 . 1 . . . . . 9 GLN CB . 27939 1 32 . 1 . 1 10 10 GLN N N 15 122.084 0.300 . 1 . . . . . 9 GLN N . 27939 1 33 . 1 . 1 11 11 THR H H 1 8.178 0.020 . 1 . . . . . 10 THR H . 27939 1 34 . 1 . 1 11 11 THR CA C 13 59.740 0.300 . 1 . . . . . 10 THR CA . 27939 1 35 . 1 . 1 11 11 THR CB C 13 69.416 0.300 . 1 . . . . . 10 THR CB . 27939 1 36 . 1 . 1 11 11 THR N N 15 118.249 0.300 . 1 . . . . . 10 THR N . 27939 1 37 . 1 . 1 12 12 PRO CA C 13 63.610 0.300 . 1 . . . . . 11 PRO CA . 27939 1 38 . 1 . 1 12 12 PRO CB C 13 31.745 0.300 . 1 . . . . . 11 PRO CB . 27939 1 39 . 1 . 1 13 13 SER H H 1 8.461 0.020 . 1 . . . . . 12 SER H . 27939 1 40 . 1 . 1 13 13 SER CA C 13 58.773 0.300 . 1 . . . . . 12 SER CA . 27939 1 41 . 1 . 1 13 13 SER CB C 13 63.030 0.300 . 1 . . . . . 12 SER CB . 27939 1 42 . 1 . 1 13 13 SER N N 15 116.171 0.300 . 1 . . . . . 12 SER N . 27939 1 43 . 1 . 1 14 14 ARG H H 1 8.156 0.020 . 1 . . . . . 13 ARG H . 27939 1 44 . 1 . 1 14 14 ARG CA C 13 55.323 0.300 . 1 . . . . . 13 ARG CA . 27939 1 45 . 1 . 1 14 14 ARG CB C 13 30.458 0.300 . 1 . . . . . 13 ARG CB . 27939 1 46 . 1 . 1 14 14 ARG N N 15 122.805 0.300 . 1 . . . . . 13 ARG N . 27939 1 47 . 1 . 1 15 15 ALA H H 1 8.204 0.020 . 1 . . . . . 14 ALA H . 27939 1 48 . 1 . 1 15 15 ALA CA C 13 51.918 0.300 . 1 . . . . . 14 ALA CA . 27939 1 49 . 1 . 1 15 15 ALA CB C 13 18.764 0.300 . 1 . . . . . 14 ALA CB . 27939 1 50 . 1 . 1 15 15 ALA N N 15 125.449 0.300 . 1 . . . . . 14 ALA N . 27939 1 51 . 1 . 1 16 16 ILE H H 1 8.065 0.020 . 1 . . . . . 15 ILE H . 27939 1 52 . 1 . 1 16 16 ILE CA C 13 58.215 0.300 . 1 . . . . . 15 ILE CA . 27939 1 53 . 1 . 1 16 16 ILE CB C 13 38.297 0.300 . 1 . . . . . 15 ILE CB . 27939 1 54 . 1 . 1 16 16 ILE N N 15 122.080 0.300 . 1 . . . . . 15 ILE N . 27939 1 55 . 1 . 1 17 17 PRO CA C 13 62.969 0.300 . 1 . . . . . 16 PRO CA . 27939 1 56 . 1 . 1 17 17 PRO CB C 13 31.807 0.300 . 1 . . . . . 16 PRO CB . 27939 1 57 . 1 . 1 18 18 ALA H H 1 8.356 0.020 . 1 . . . . . 17 ALA H . 27939 1 58 . 1 . 1 18 18 ALA CA C 13 51.918 0.300 . 1 . . . . . 17 ALA CA . 27939 1 59 . 1 . 1 18 18 ALA CB C 13 19.150 0.300 . 1 . . . . . 17 ALA CB . 27939 1 60 . 1 . 1 18 18 ALA N N 15 124.546 0.300 . 1 . . . . . 17 ALA N . 27939 1 61 . 1 . 1 19 19 THR H H 1 7.977 0.020 . 1 . . . . . 18 THR H . 27939 1 62 . 1 . 1 19 19 THR CA C 13 61.015 0.300 . 1 . . . . . 18 THR CA . 27939 1 63 . 1 . 1 19 19 THR CB C 13 71.245 0.300 . 1 . . . . . 18 THR CB . 27939 1 64 . 1 . 1 19 19 THR N N 15 113.577 0.300 . 1 . . . . . 18 THR N . 27939 1 65 . 1 . 1 20 20 ARG H H 1 8.757 0.020 . 1 . . . . . 19 ARG H . 27939 1 66 . 1 . 1 20 20 ARG CA C 13 54.938 0.300 . 1 . . . . . 19 ARG CA . 27939 1 67 . 1 . 1 20 20 ARG CB C 13 32.450 0.300 . 1 . . . . . 19 ARG CB . 27939 1 68 . 1 . 1 20 20 ARG N N 15 124.379 0.300 . 1 . . . . . 19 ARG N . 27939 1 69 . 1 . 1 21 21 ARG H H 1 8.364 0.020 . 1 . . . . . 20 ARG H . 27939 1 70 . 1 . 1 21 21 ARG CA C 13 54.938 0.300 . 1 . . . . . 20 ARG CA . 27939 1 71 . 1 . 1 21 21 ARG CB C 13 31.422 0.300 . 1 . . . . . 20 ARG CB . 27939 1 72 . 1 . 1 21 21 ARG N N 15 122.228 0.300 . 1 . . . . . 20 ARG N . 27939 1 73 . 1 . 1 22 22 VAL H H 1 8.666 0.020 . 1 . . . . . 21 VAL H . 27939 1 74 . 1 . 1 22 22 VAL CA C 13 61.170 0.300 . 1 . . . . . 21 VAL CA . 27939 1 75 . 1 . 1 22 22 VAL CB C 13 33.927 0.300 . 1 . . . . . 21 VAL CB . 27939 1 76 . 1 . 1 22 22 VAL N N 15 125.533 0.300 . 1 . . . . . 21 VAL N . 27939 1 77 . 1 . 1 23 23 VAL H H 1 8.384 0.020 . 1 . . . . . 22 VAL H . 27939 1 78 . 1 . 1 23 23 VAL CA C 13 61.235 0.300 . 1 . . . . . 22 VAL CA . 27939 1 79 . 1 . 1 23 23 VAL CB C 13 32.128 0.300 . 1 . . . . . 22 VAL CB . 27939 1 80 . 1 . 1 23 23 VAL N N 15 126.105 0.300 . 1 . . . . . 22 VAL N . 27939 1 81 . 1 . 1 24 24 LEU H H 1 8.682 0.020 . 1 . . . . . 23 LEU H . 27939 1 82 . 1 . 1 24 24 LEU CA C 13 54.488 0.300 . 1 . . . . . 23 LEU CA . 27939 1 83 . 1 . 1 24 24 LEU CB C 13 42.473 0.300 . 1 . . . . . 23 LEU CB . 27939 1 84 . 1 . 1 24 24 LEU N N 15 128.488 0.300 . 1 . . . . . 23 LEU N . 27939 1 85 . 1 . 1 25 25 GLY H H 1 8.313 0.020 . 1 . . . . . 24 GLY H . 27939 1 86 . 1 . 1 25 25 GLY CA C 13 44.195 0.300 . 1 . . . . . 24 GLY CA . 27939 1 87 . 1 . 1 25 25 GLY N N 15 108.907 0.300 . 1 . . . . . 24 GLY N . 27939 1 88 . 1 . 1 26 26 ASP H H 1 8.316 0.020 . 1 . . . . . 25 ASP H . 27939 1 89 . 1 . 1 26 26 ASP CA C 13 55.096 0.300 . 1 . . . . . 25 ASP CA . 27939 1 90 . 1 . 1 26 26 ASP CB C 13 40.453 0.300 . 1 . . . . . 25 ASP CB . 27939 1 91 . 1 . 1 26 26 ASP N N 15 120.373 0.300 . 1 . . . . . 25 ASP N . 27939 1 92 . 1 . 1 27 27 GLY H H 1 8.582 0.020 . 1 . . . . . 26 GLY H . 27939 1 93 . 1 . 1 27 27 GLY CA C 13 45.218 0.300 . 1 . . . . . 26 GLY CA . 27939 1 94 . 1 . 1 27 27 GLY N N 15 110.597 0.300 . 1 . . . . . 26 GLY N . 27939 1 95 . 1 . 1 28 28 VAL H H 1 7.492 0.020 . 1 . . . . . 27 VAL H . 27939 1 96 . 1 . 1 28 28 VAL CA C 13 62.320 0.300 . 1 . . . . . 27 VAL CA . 27939 1 97 . 1 . 1 28 28 VAL CB C 13 31.874 0.300 . 1 . . . . . 27 VAL CB . 27939 1 98 . 1 . 1 28 28 VAL N N 15 120.655 0.300 . 1 . . . . . 27 VAL N . 27939 1 99 . 1 . 1 29 29 GLN H H 1 8.432 0.020 . 1 . . . . . 28 GLN H . 27939 1 100 . 1 . 1 29 29 GLN CA C 13 54.809 0.300 . 1 . . . . . 28 GLN CA . 27939 1 101 . 1 . 1 29 29 GLN CB C 13 29.301 0.300 . 1 . . . . . 28 GLN CB . 27939 1 102 . 1 . 1 29 29 GLN N N 15 125.110 0.300 . 1 . . . . . 28 GLN N . 27939 1 103 . 1 . 1 30 30 LEU H H 1 8.039 0.020 . 1 . . . . . 29 LEU H . 27939 1 104 . 1 . 1 30 30 LEU CA C 13 52.496 0.300 . 1 . . . . . 29 LEU CA . 27939 1 105 . 1 . 1 30 30 LEU CB C 13 41.445 0.300 . 1 . . . . . 29 LEU CB . 27939 1 106 . 1 . 1 30 30 LEU N N 15 123.726 0.300 . 1 . . . . . 29 LEU N . 27939 1 107 . 1 . 1 32 32 PRO CA C 13 63.087 0.300 . 1 . . . . . 31 PRO CA . 27939 1 108 . 1 . 1 32 32 PRO CB C 13 31.168 0.300 . 1 . . . . . 31 PRO CB . 27939 1 109 . 1 . 1 33 33 GLY H H 1 8.153 0.020 . 1 . . . . . 32 GLY H . 27939 1 110 . 1 . 1 33 33 GLY CA C 13 44.700 0.300 . 1 . . . . . 32 GLY CA . 27939 1 111 . 1 . 1 33 33 GLY N N 15 109.710 0.300 . 1 . . . . . 32 GLY N . 27939 1 112 . 1 . 1 34 34 ASP H H 1 7.978 0.020 . 1 . . . . . 33 ASP H . 27939 1 113 . 1 . 1 34 34 ASP CA C 13 53.161 0.300 . 1 . . . . . 33 ASP CA . 27939 1 114 . 1 . 1 34 34 ASP CB C 13 40.840 0.300 . 1 . . . . . 33 ASP CB . 27939 1 115 . 1 . 1 34 34 ASP N N 15 119.951 0.300 . 1 . . . . . 33 ASP N . 27939 1 116 . 1 . 1 35 35 TYR H H 1 8.153 0.020 . 1 . . . . . 34 TYR H . 27939 1 117 . 1 . 1 35 35 TYR CA C 13 57.122 0.300 . 1 . . . . . 34 TYR CA . 27939 1 118 . 1 . 1 35 35 TYR CB C 13 40.802 0.300 . 1 . . . . . 34 TYR CB . 27939 1 119 . 1 . 1 35 35 TYR N N 15 121.406 0.300 . 1 . . . . . 34 TYR N . 27939 1 120 . 1 . 1 36 36 SER H H 1 8.630 0.020 . 1 . . . . . 35 SER H . 27939 1 121 . 1 . 1 36 36 SER CA C 13 56.579 0.300 . 1 . . . . . 35 SER CA . 27939 1 122 . 1 . 1 36 36 SER CB C 13 65.223 0.300 . 1 . . . . . 35 SER CB . 27939 1 123 . 1 . 1 36 36 SER N N 15 117.330 0.300 . 1 . . . . . 35 SER N . 27939 1 124 . 1 . 1 37 37 THR H H 1 7.961 0.020 . 1 . . . . . 36 THR H . 27939 1 125 . 1 . 1 37 37 THR CA C 13 58.879 0.300 . 1 . . . . . 36 THR CA . 27939 1 126 . 1 . 1 37 37 THR CB C 13 71.569 0.300 . 1 . . . . . 36 THR CB . 27939 1 127 . 1 . 1 37 37 THR N N 15 110.091 0.300 . 1 . . . . . 36 THR N . 27939 1 128 . 1 . 1 38 38 THR H H 1 9.027 0.020 . 1 . . . . . 37 THR H . 27939 1 129 . 1 . 1 38 38 THR CA C 13 60.837 0.300 . 1 . . . . . 37 THR CA . 27939 1 130 . 1 . 1 38 38 THR CB C 13 69.351 0.300 . 1 . . . . . 37 THR CB . 27939 1 131 . 1 . 1 38 38 THR N N 15 117.028 0.300 . 1 . . . . . 37 THR N . 27939 1 132 . 1 . 1 39 39 PRO CA C 13 66.260 0.300 . 1 . . . . . 38 PRO CA . 27939 1 133 . 1 . 1 39 39 PRO CB C 13 31.686 0.300 . 1 . . . . . 38 PRO CB . 27939 1 134 . 1 . 1 40 40 GLY H H 1 10.747 0.020 . 1 . . . . . 39 GLY H . 27939 1 135 . 1 . 1 40 40 GLY CA C 13 45.218 0.300 . 1 . . . . . 39 GLY CA . 27939 1 136 . 1 . 1 40 40 GLY N N 15 108.622 0.300 . 1 . . . . . 39 GLY N . 27939 1 137 . 1 . 1 41 41 GLY H H 1 8.225 0.020 . 1 . . . . . 40 GLY H . 27939 1 138 . 1 . 1 41 41 GLY CA C 13 44.131 0.300 . 1 . . . . . 40 GLY CA . 27939 1 139 . 1 . 1 41 41 GLY N N 15 107.896 0.300 . 1 . . . . . 40 GLY N . 27939 1 140 . 1 . 1 42 42 THR H H 1 8.248 0.020 . 1 . . . . . 41 THR H . 27939 1 141 . 1 . 1 42 42 THR CA C 13 65.989 0.300 . 1 . . . . . 41 THR CA . 27939 1 142 . 1 . 1 42 42 THR CB C 13 67.274 0.300 . 1 . . . . . 41 THR CB . 27939 1 143 . 1 . 1 42 42 THR N N 15 121.418 0.300 . 1 . . . . . 41 THR N . 27939 1 144 . 1 . 1 43 43 LEU H H 1 8.566 0.020 . 1 . . . . . 42 LEU H . 27939 1 145 . 1 . 1 43 43 LEU CA C 13 54.360 0.300 . 1 . . . . . 42 LEU CA . 27939 1 146 . 1 . 1 43 43 LEU CB C 13 44.272 0.300 . 1 . . . . . 42 LEU CB . 27939 1 147 . 1 . 1 43 43 LEU N N 15 129.479 0.300 . 1 . . . . . 42 LEU N . 27939 1 148 . 1 . 1 44 44 PHE H H 1 9.097 0.020 . 1 . . . . . 43 PHE H . 27939 1 149 . 1 . 1 44 44 PHE CA C 13 55.870 0.300 . 1 . . . . . 43 PHE CA . 27939 1 150 . 1 . 1 44 44 PHE CB C 13 43.033 0.300 . 1 . . . . . 43 PHE CB . 27939 1 151 . 1 . 1 44 44 PHE N N 15 119.180 0.300 . 1 . . . . . 43 PHE N . 27939 1 152 . 1 . 1 45 45 SER H H 1 9.331 0.020 . 1 . . . . . 44 SER H . 27939 1 153 . 1 . 1 45 45 SER CA C 13 56.257 0.300 . 1 . . . . . 44 SER CA . 27939 1 154 . 1 . 1 45 45 SER CB C 13 65.933 0.300 . 1 . . . . . 44 SER CB . 27939 1 155 . 1 . 1 45 45 SER N N 15 115.355 0.300 . 1 . . . . . 44 SER N . 27939 1 156 . 1 . 1 46 46 THR H H 1 8.311 0.020 . 1 . . . . . 45 THR H . 27939 1 157 . 1 . 1 46 46 THR CA C 13 60.368 0.300 . 1 . . . . . 45 THR CA . 27939 1 158 . 1 . 1 46 46 THR CB C 13 70.986 0.300 . 1 . . . . . 45 THR CB . 27939 1 159 . 1 . 1 46 46 THR N N 15 114.629 0.300 . 1 . . . . . 45 THR N . 27939 1 160 . 1 . 1 47 47 THR H H 1 9.065 0.020 . 1 . . . . . 46 THR H . 27939 1 161 . 1 . 1 47 47 THR CA C 13 60.579 0.300 . 1 . . . . . 46 THR CA . 27939 1 162 . 1 . 1 47 47 THR CB C 13 69.287 0.300 . 1 . . . . . 46 THR CB . 27939 1 163 . 1 . 1 47 47 THR N N 15 119.381 0.300 . 1 . . . . . 46 THR N . 27939 1 164 . 1 . 1 48 48 PRO CA C 13 66.389 0.300 . 1 . . . . . 47 PRO CA . 27939 1 165 . 1 . 1 48 48 PRO CB C 13 31.622 0.300 . 1 . . . . . 47 PRO CB . 27939 1 166 . 1 . 1 49 49 GLY H H 1 10.832 0.020 . 1 . . . . . 48 GLY H . 27939 1 167 . 1 . 1 49 49 GLY CA C 13 45.218 0.300 . 1 . . . . . 48 GLY CA . 27939 1 168 . 1 . 1 49 49 GLY N N 15 108.736 0.300 . 1 . . . . . 48 GLY N . 27939 1 169 . 1 . 1 50 50 GLY H H 1 8.260 0.020 . 1 . . . . . 49 GLY H . 27939 1 170 . 1 . 1 50 50 GLY CA C 13 44.376 0.300 . 1 . . . . . 49 GLY CA . 27939 1 171 . 1 . 1 50 50 GLY N N 15 107.729 0.300 . 1 . . . . . 49 GLY N . 27939 1 172 . 1 . 1 51 51 THR H H 1 8.282 0.020 . 1 . . . . . 50 THR H . 27939 1 173 . 1 . 1 51 51 THR CA C 13 65.539 0.300 . 1 . . . . . 50 THR CA . 27939 1 174 . 1 . 1 51 51 THR CB C 13 67.210 0.300 . 1 . . . . . 50 THR CB . 27939 1 175 . 1 . 1 51 51 THR N N 15 121.738 0.300 . 1 . . . . . 50 THR N . 27939 1 176 . 1 . 1 52 52 ARG H H 1 8.377 0.020 . 1 . . . . . 51 ARG H . 27939 1 177 . 1 . 1 52 52 ARG CA C 13 55.323 0.300 . 1 . . . . . 51 ARG CA . 27939 1 178 . 1 . 1 52 52 ARG CB C 13 31.357 0.300 . 1 . . . . . 51 ARG CB . 27939 1 179 . 1 . 1 52 52 ARG N N 15 126.494 0.300 . 1 . . . . . 51 ARG N . 27939 1 180 . 1 . 1 53 53 ILE H H 1 9.097 0.020 . 1 . . . . . 52 ILE H . 27939 1 181 . 1 . 1 53 53 ILE CA C 13 59.243 0.300 . 1 . . . . . 52 ILE CA . 27939 1 182 . 1 . 1 53 53 ILE CB C 13 37.847 0.300 . 1 . . . . . 52 ILE CB . 27939 1 183 . 1 . 1 53 53 ILE N N 15 127.302 0.300 . 1 . . . . . 52 ILE N . 27939 1 184 . 1 . 1 54 54 ILE H H 1 8.376 0.020 . 1 . . . . . 53 ILE H . 27939 1 185 . 1 . 1 54 54 ILE CA C 13 59.628 0.300 . 1 . . . . . 53 ILE CA . 27939 1 186 . 1 . 1 54 54 ILE CB C 13 39.260 0.300 . 1 . . . . . 53 ILE CB . 27939 1 187 . 1 . 1 54 54 ILE N N 15 125.131 0.300 . 1 . . . . . 53 ILE N . 27939 1 188 . 1 . 1 55 55 TYR H H 1 8.305 0.020 . 1 . . . . . 54 TYR H . 27939 1 189 . 1 . 1 55 55 TYR CA C 13 56.801 0.300 . 1 . . . . . 54 TYR CA . 27939 1 190 . 1 . 1 55 55 TYR CB C 13 39.196 0.300 . 1 . . . . . 54 TYR CB . 27939 1 191 . 1 . 1 55 55 TYR N N 15 125.483 0.300 . 1 . . . . . 54 TYR N . 27939 1 192 . 1 . 1 56 56 ASP H H 1 8.674 0.020 . 1 . . . . . 55 ASP H . 27939 1 193 . 1 . 1 56 56 ASP CA C 13 53.396 0.300 . 1 . . . . . 55 ASP CA . 27939 1 194 . 1 . 1 56 56 ASP CB C 13 42.152 0.300 . 1 . . . . . 55 ASP CB . 27939 1 195 . 1 . 1 56 56 ASP N N 15 123.354 0.300 . 1 . . . . . 55 ASP N . 27939 1 196 . 1 . 1 59 59 PHE H H 1 8.214 0.020 . 1 . . . . . 58 PHE H . 27939 1 197 . 1 . 1 59 59 PHE CA C 13 58.063 0.300 . 1 . . . . . 58 PHE CA . 27939 1 198 . 1 . 1 59 59 PHE CB C 13 39.132 0.300 . 1 . . . . . 58 PHE CB . 27939 1 199 . 1 . 1 59 59 PHE N N 15 120.291 0.300 . 1 . . . . . 58 PHE N . 27939 1 200 . 1 . 1 60 60 LEU H H 1 7.984 0.020 . 1 . . . . . 59 LEU H . 27939 1 201 . 1 . 1 60 60 LEU CA C 13 54.938 0.300 . 1 . . . . . 59 LEU CA . 27939 1 202 . 1 . 1 60 60 LEU CB C 13 42.087 0.300 . 1 . . . . . 59 LEU CB . 27939 1 203 . 1 . 1 60 60 LEU N N 15 122.678 0.300 . 1 . . . . . 59 LEU N . 27939 1 204 . 1 . 1 61 61 MET H H 1 8.077 0.020 . 1 . . . . . 60 MET H . 27939 1 205 . 1 . 1 61 61 MET CA C 13 55.289 0.300 . 1 . . . . . 60 MET CA . 27939 1 206 . 1 . 1 61 61 MET CB C 13 32.455 0.300 . 1 . . . . . 60 MET CB . 27939 1 207 . 1 . 1 61 61 MET N N 15 120.397 0.300 . 1 . . . . . 60 MET N . 27939 1 208 . 1 . 1 62 62 GLU CA C 13 56.386 0.300 . 1 . . . . . 61 GLU CA . 27939 1 209 . 1 . 1 62 62 GLU CB C 13 29.810 0.300 . 1 . . . . . 61 GLU CB . 27939 1 210 . 1 . 1 63 63 CYS H H 1 8.250 0.020 . 1 . . . . . 62 CYS H . 27939 1 211 . 1 . 1 63 63 CYS CA C 13 58.257 0.300 . 1 . . . . . 62 CYS CA . 27939 1 212 . 1 . 1 63 63 CYS CB C 13 27.552 0.300 . 1 . . . . . 62 CYS CB . 27939 1 213 . 1 . 1 63 63 CYS N N 15 120.392 0.300 . 1 . . . . . 62 CYS N . 27939 1 214 . 1 . 1 64 64 ARG H H 1 8.326 0.020 . 1 . . . . . 63 ARG H . 27939 1 215 . 1 . 1 64 64 ARG CA C 13 55.645 0.300 . 1 . . . . . 63 ARG CA . 27939 1 216 . 1 . 1 64 64 ARG CB C 13 30.522 0.300 . 1 . . . . . 63 ARG CB . 27939 1 217 . 1 . 1 64 64 ARG N N 15 123.481 0.300 . 1 . . . . . 63 ARG N . 27939 1 218 . 1 . 1 65 65 ASN H H 1 8.378 0.020 . 1 . . . . . 64 ASN H . 27939 1 219 . 1 . 1 65 65 ASN CA C 13 52.903 0.300 . 1 . . . . . 64 ASN CA . 27939 1 220 . 1 . 1 65 65 ASN CB C 13 38.712 0.300 . 1 . . . . . 64 ASN CB . 27939 1 221 . 1 . 1 65 65 ASN N N 15 119.749 0.300 . 1 . . . . . 64 ASN N . 27939 1 222 . 1 . 1 66 66 SER H H 1 8.453 0.020 . 1 . . . . . 65 SER H . 27939 1 223 . 1 . 1 66 66 SER CA C 13 55.580 0.300 . 1 . . . . . 65 SER CA . 27939 1 224 . 1 . 1 66 66 SER CB C 13 65.090 0.300 . 1 . . . . . 65 SER CB . 27939 1 225 . 1 . 1 66 66 SER N N 15 117.859 0.300 . 1 . . . . . 65 SER N . 27939 1 226 . 1 . 1 67 67 PRO CA C 13 62.969 0.300 . 1 . . . . . 66 PRO CA . 27939 1 227 . 1 . 1 67 67 PRO CB C 13 31.486 0.300 . 1 . . . . . 66 PRO CB . 27939 1 228 . 1 . 1 68 68 VAL H H 1 8.223 0.020 . 1 . . . . . 67 VAL H . 27939 1 229 . 1 . 1 68 68 VAL CA C 13 62.584 0.300 . 1 . . . . . 67 VAL CA . 27939 1 230 . 1 . 1 68 68 VAL CB C 13 32.000 0.300 . 1 . . . . . 67 VAL CB . 27939 1 231 . 1 . 1 68 68 VAL N N 15 120.722 0.300 . 1 . . . . . 67 VAL N . 27939 1 232 . 1 . 1 69 69 THR H H 1 8.133 0.020 . 1 . . . . . 68 THR H . 27939 1 233 . 1 . 1 69 69 THR CA C 13 61.492 0.300 . 1 . . . . . 68 THR CA . 27939 1 234 . 1 . 1 69 69 THR CB C 13 69.587 0.300 . 1 . . . . . 68 THR CB . 27939 1 235 . 1 . 1 69 69 THR N N 15 118.491 0.300 . 1 . . . . . 68 THR N . 27939 1 236 . 1 . 1 70 70 LYS H H 1 8.278 0.020 . 1 . . . . . 69 LYS H . 27939 1 237 . 1 . 1 70 70 LYS CA C 13 55.580 0.300 . 1 . . . . . 69 LYS CA . 27939 1 238 . 1 . 1 70 70 LYS CB C 13 32.835 0.300 . 1 . . . . . 69 LYS CB . 27939 1 239 . 1 . 1 70 70 LYS N N 15 124.388 0.300 . 1 . . . . . 69 LYS N . 27939 1 240 . 1 . 1 71 71 GLU H H 1 8.327 0.020 . 1 . . . . . 70 GLU H . 27939 1 241 . 1 . 1 71 71 GLU CA C 13 53.910 0.300 . 1 . . . . . 70 GLU CA . 27939 1 242 . 1 . 1 71 71 GLU CB C 13 29.237 0.300 . 1 . . . . . 70 GLU CB . 27939 1 243 . 1 . 1 71 71 GLU N N 15 123.875 0.300 . 1 . . . . . 70 GLU N . 27939 1 244 . 1 . 1 73 73 PRO CA C 13 63.226 0.300 . 1 . . . . . 72 PRO CA . 27939 1 245 . 1 . 1 73 73 PRO CB C 13 31.679 0.300 . 1 . . . . . 72 PRO CB . 27939 1 246 . 1 . 1 74 74 ARG H H 1 8.424 0.020 . 1 . . . . . 73 ARG H . 27939 1 247 . 1 . 1 74 74 ARG CA C 13 56.608 0.300 . 1 . . . . . 73 ARG CA . 27939 1 248 . 1 . 1 74 74 ARG CB C 13 29.687 0.300 . 1 . . . . . 73 ARG CB . 27939 1 249 . 1 . 1 74 74 ARG N N 15 120.720 0.300 . 1 . . . . . 73 ARG N . 27939 1 250 . 1 . 1 75 75 ASP H H 1 8.408 0.020 . 1 . . . . . 74 ASP H . 27939 1 251 . 1 . 1 75 75 ASP CA C 13 53.717 0.300 . 1 . . . . . 74 ASP CA . 27939 1 252 . 1 . 1 75 75 ASP CB C 13 40.545 0.300 . 1 . . . . . 74 ASP CB . 27939 1 253 . 1 . 1 75 75 ASP N N 15 121.452 0.300 . 1 . . . . . 74 ASP N . 27939 1 254 . 1 . 1 76 76 LEU H H 1 8.056 0.020 . 1 . . . . . 75 LEU H . 27939 1 255 . 1 . 1 76 76 LEU CA C 13 52.625 0.300 . 1 . . . . . 75 LEU CA . 27939 1 256 . 1 . 1 76 76 LEU CB C 13 41.509 0.300 . 1 . . . . . 75 LEU CB . 27939 1 257 . 1 . 1 76 76 LEU N N 15 123.470 0.300 . 1 . . . . . 75 LEU N . 27939 1 258 . 1 . 1 77 77 PRO CA C 13 62.772 0.300 . 1 . . . . . 76 PRO CA . 27939 1 259 . 1 . 1 77 77 PRO CB C 13 31.616 0.300 . 1 . . . . . 76 PRO CB . 27939 1 260 . 1 . 1 78 78 THR H H 1 8.156 0.020 . 1 . . . . . 77 THR H . 27939 1 261 . 1 . 1 78 78 THR CA C 13 61.611 0.300 . 1 . . . . . 77 THR CA . 27939 1 262 . 1 . 1 78 78 THR CB C 13 69.609 0.300 . 1 . . . . . 77 THR CB . 27939 1 263 . 1 . 1 78 78 THR N N 15 115.202 0.300 . 1 . . . . . 77 THR N . 27939 1 264 . 1 . 1 79 79 ILE H H 1 8.182 0.020 . 1 . . . . . 78 ILE H . 27939 1 265 . 1 . 1 79 79 ILE CA C 13 58.215 0.300 . 1 . . . . . 78 ILE CA . 27939 1 266 . 1 . 1 79 79 ILE CB C 13 38.361 0.300 . 1 . . . . . 78 ILE CB . 27939 1 267 . 1 . 1 79 79 ILE N N 15 125.170 0.300 . 1 . . . . . 78 ILE N . 27939 1 268 . 1 . 1 80 80 PRO CA C 13 63.087 0.300 . 1 . . . . . 79 PRO CA . 27939 1 269 . 1 . 1 80 80 PRO CB C 13 31.751 0.300 . 1 . . . . . 79 PRO CB . 27939 1 270 . 1 . 1 81 81 GLY H H 1 8.392 0.020 . 1 . . . . . 80 GLY H . 27939 1 271 . 1 . 1 81 81 GLY CA C 13 44.959 0.300 . 1 . . . . . 80 GLY CA . 27939 1 272 . 1 . 1 81 81 GLY N N 15 109.573 0.300 . 1 . . . . . 80 GLY N . 27939 1 273 . 1 . 1 82 82 VAL H H 1 7.923 0.020 . 1 . . . . . 81 VAL H . 27939 1 274 . 1 . 1 82 82 VAL CA C 13 62.062 0.300 . 1 . . . . . 81 VAL CA . 27939 1 275 . 1 . 1 82 82 VAL CB C 13 32.455 0.300 . 1 . . . . . 81 VAL CB . 27939 1 276 . 1 . 1 82 82 VAL N N 15 119.601 0.300 . 1 . . . . . 81 VAL N . 27939 1 277 . 1 . 1 83 83 THR H H 1 8.225 0.020 . 1 . . . . . 82 THR H . 27939 1 278 . 1 . 1 83 83 THR CA C 13 61.546 0.300 . 1 . . . . . 82 THR CA . 27939 1 279 . 1 . 1 83 83 THR CB C 13 69.738 0.300 . 1 . . . . . 82 THR CB . 27939 1 280 . 1 . 1 83 83 THR N N 15 117.821 0.300 . 1 . . . . . 82 THR N . 27939 1 281 . 1 . 1 84 84 SER H H 1 8.503 0.020 . 1 . . . . . 83 SER H . 27939 1 282 . 1 . 1 84 84 SER CA C 13 55.096 0.300 . 1 . . . . . 83 SER CA . 27939 1 283 . 1 . 1 84 84 SER CB C 13 65.223 0.300 . 1 . . . . . 83 SER CB . 27939 1 284 . 1 . 1 84 84 SER N N 15 119.668 0.300 . 1 . . . . . 83 SER N . 27939 1 285 . 1 . 1 85 85 PRO CA C 13 63.094 0.300 . 1 . . . . . 84 PRO CA . 27939 1 286 . 1 . 1 85 85 PRO CB C 13 31.681 0.300 . 1 . . . . . 84 PRO CB . 27939 1 287 . 1 . 1 86 86 SER H H 1 8.361 0.020 . 1 . . . . . 85 SER H . 27939 1 288 . 1 . 1 86 86 SER CA C 13 58.192 0.300 . 1 . . . . . 85 SER CA . 27939 1 289 . 1 . 1 86 86 SER CB C 13 63.610 0.300 . 1 . . . . . 85 SER CB . 27939 1 290 . 1 . 1 86 86 SER N N 15 116.131 0.300 . 1 . . . . . 85 SER N . 27939 1 291 . 1 . 1 87 87 SER H H 1 8.281 0.020 . 1 . . . . . 86 SER H . 27939 1 292 . 1 . 1 87 87 SER CA C 13 58.128 0.300 . 1 . . . . . 86 SER CA . 27939 1 293 . 1 . 1 87 87 SER CB C 13 63.675 0.300 . 1 . . . . . 86 SER CB . 27939 1 294 . 1 . 1 87 87 SER N N 15 117.729 0.300 . 1 . . . . . 86 SER N . 27939 1 295 . 1 . 1 88 88 ASP H H 1 8.228 0.020 . 1 . . . . . 87 ASP H . 27939 1 296 . 1 . 1 88 88 ASP CA C 13 53.846 0.300 . 1 . . . . . 87 ASP CA . 27939 1 297 . 1 . 1 88 88 ASP CB C 13 40.867 0.300 . 1 . . . . . 87 ASP CB . 27939 1 298 . 1 . 1 88 88 ASP N N 15 122.260 0.300 . 1 . . . . . 87 ASP N . 27939 1 299 . 1 . 1 89 89 GLU H H 1 8.081 0.020 . 1 . . . . . 88 GLU H . 27939 1 300 . 1 . 1 89 89 GLU CA C 13 53.846 0.300 . 1 . . . . . 88 GLU CA . 27939 1 301 . 1 . 1 89 89 GLU CB C 13 29.366 0.300 . 1 . . . . . 88 GLU CB . 27939 1 302 . 1 . 1 89 89 GLU N N 15 122.069 0.300 . 1 . . . . . 88 GLU N . 27939 1 303 . 1 . 1 91 91 PRO CA C 13 62.584 0.300 . 1 . . . . . 90 PRO CA . 27939 1 304 . 1 . 1 91 91 PRO CB C 13 31.614 0.300 . 1 . . . . . 90 PRO CB . 27939 1 305 . 1 . 1 92 92 MET H H 1 8.396 0.020 . 1 . . . . . 91 MET H . 27939 1 306 . 1 . 1 92 92 MET CA C 13 55.452 0.300 . 1 . . . . . 91 MET CA . 27939 1 307 . 1 . 1 92 92 MET CB C 13 32.707 0.300 . 1 . . . . . 91 MET CB . 27939 1 308 . 1 . 1 92 92 MET N N 15 121.058 0.300 . 1 . . . . . 91 MET N . 27939 1 309 . 1 . 1 93 93 GLU H H 1 8.424 0.020 . 1 . . . . . 92 GLU H . 27939 1 310 . 1 . 1 93 93 GLU CA C 13 56.416 0.300 . 1 . . . . . 92 GLU CA . 27939 1 311 . 1 . 1 93 93 GLU CB C 13 29.751 0.300 . 1 . . . . . 92 GLU CB . 27939 1 312 . 1 . 1 93 93 GLU N N 15 122.483 0.300 . 1 . . . . . 92 GLU N . 27939 1 313 . 1 . 1 94 94 ALA H H 1 8.329 0.020 . 1 . . . . . 93 ALA H . 27939 1 314 . 1 . 1 94 94 ALA CA C 13 52.561 0.300 . 1 . . . . . 93 ALA CA . 27939 1 315 . 1 . 1 94 94 ALA CB C 13 18.636 0.300 . 1 . . . . . 93 ALA CB . 27939 1 316 . 1 . 1 94 94 ALA N N 15 125.363 0.300 . 1 . . . . . 93 ALA N . 27939 1 317 . 1 . 1 95 95 SER H H 1 8.210 0.020 . 1 . . . . . 94 SER H . 27939 1 318 . 1 . 1 95 95 SER CA C 13 58.361 0.300 . 1 . . . . . 94 SER CA . 27939 1 319 . 1 . 1 95 95 SER CB C 13 63.346 0.300 . 1 . . . . . 94 SER CB . 27939 1 320 . 1 . 1 95 95 SER N N 15 114.649 0.300 . 1 . . . . . 94 SER N . 27939 1 321 . 1 . 1 96 96 GLN H H 1 8.251 0.020 . 1 . . . . . 95 GLN H . 27939 1 322 . 1 . 1 96 96 GLN CA C 13 55.580 0.300 . 1 . . . . . 95 GLN CA . 27939 1 323 . 1 . 1 96 96 GLN CB C 13 28.916 0.300 . 1 . . . . . 95 GLN CB . 27939 1 324 . 1 . 1 96 96 GLN N N 15 121.662 0.300 . 1 . . . . . 95 GLN N . 27939 1 325 . 1 . 1 97 97 SER H H 1 8.141 0.020 . 1 . . . . . 96 SER H . 27939 1 326 . 1 . 1 97 97 SER CA C 13 58.386 0.300 . 1 . . . . . 96 SER CA . 27939 1 327 . 1 . 1 97 97 SER CB C 13 63.417 0.300 . 1 . . . . . 96 SER CB . 27939 1 328 . 1 . 1 97 97 SER N N 15 116.183 0.300 . 1 . . . . . 96 SER N . 27939 1 329 . 1 . 1 98 98 HIS CB C 13 28.723 0.300 . 1 . . . . . 97 HIS CB . 27939 1 330 . 1 . 1 99 99 LEU H H 1 8.109 0.020 . 1 . . . . . 98 LEU H . 27939 1 331 . 1 . 1 99 99 LEU CA C 13 55.066 0.300 . 1 . . . . . 98 LEU CA . 27939 1 332 . 1 . 1 99 99 LEU CB C 13 41.895 0.300 . 1 . . . . . 98 LEU CB . 27939 1 333 . 1 . 1 99 99 LEU N N 15 122.932 0.300 . 1 . . . . . 98 LEU N . 27939 1 334 . 1 . 1 100 100 ARG H H 1 8.237 0.020 . 1 . . . . . 99 ARG H . 27939 1 335 . 1 . 1 100 100 ARG CA C 13 55.580 0.300 . 1 . . . . . 99 ARG CA . 27939 1 336 . 1 . 1 100 100 ARG CB C 13 30.394 0.300 . 1 . . . . . 99 ARG CB . 27939 1 337 . 1 . 1 100 100 ARG N N 15 121.417 0.300 . 1 . . . . . 99 ARG N . 27939 1 338 . 1 . 1 101 101 ASN H H 1 8.452 0.020 . 1 . . . . . 100 ASN H . 27939 1 339 . 1 . 1 101 101 ASN CA C 13 52.818 0.300 . 1 . . . . . 100 ASN CA . 27939 1 340 . 1 . 1 101 101 ASN CB C 13 38.875 0.300 . 1 . . . . . 100 ASN CB . 27939 1 341 . 1 . 1 101 101 ASN N N 15 120.331 0.300 . 1 . . . . . 100 ASN N . 27939 1 342 . 1 . 1 102 102 SER H H 1 8.406 0.020 . 1 . . . . . 101 SER H . 27939 1 343 . 1 . 1 102 102 SER CA C 13 55.452 0.300 . 1 . . . . . 101 SER CA . 27939 1 344 . 1 . 1 102 102 SER CB C 13 65.025 0.300 . 1 . . . . . 101 SER CB . 27939 1 345 . 1 . 1 102 102 SER N N 15 117.960 0.300 . 1 . . . . . 101 SER N . 27939 1 346 . 1 . 1 103 103 PRO CA C 13 63.417 0.300 . 1 . . . . . 102 PRO CA . 27939 1 347 . 1 . 1 103 103 PRO CB C 13 31.616 0.300 . 1 . . . . . 102 PRO CB . 27939 1 348 . 1 . 1 104 104 GLU H H 1 8.410 0.020 . 1 . . . . . 103 GLU H . 27939 1 349 . 1 . 1 104 104 GLU CA C 13 56.644 0.300 . 1 . . . . . 103 GLU CA . 27939 1 350 . 1 . 1 104 104 GLU CB C 13 29.487 0.300 . 1 . . . . . 103 GLU CB . 27939 1 351 . 1 . 1 104 104 GLU N N 15 119.722 0.300 . 1 . . . . . 103 GLU N . 27939 1 352 . 1 . 1 105 105 ASP H H 1 8.225 0.020 . 1 . . . . . 104 ASP H . 27939 1 353 . 1 . 1 105 105 ASP CA C 13 53.717 0.300 . 1 . . . . . 104 ASP CA . 27939 1 354 . 1 . 1 105 105 ASP CB C 13 40.610 0.300 . 1 . . . . . 104 ASP CB . 27939 1 355 . 1 . 1 105 105 ASP N N 15 120.996 0.300 . 1 . . . . . 104 ASP N . 27939 1 356 . 1 . 1 106 106 LYS H H 1 8.164 0.020 . 1 . . . . . 105 LYS H . 27939 1 357 . 1 . 1 106 106 LYS CA C 13 56.094 0.300 . 1 . . . . . 105 LYS CA . 27939 1 358 . 1 . 1 106 106 LYS CB C 13 32.257 0.300 . 1 . . . . . 105 LYS CB . 27939 1 359 . 1 . 1 106 106 LYS N N 15 122.219 0.300 . 1 . . . . . 105 LYS N . 27939 1 360 . 1 . 1 107 107 ARG H H 1 8.220 0.020 . 1 . . . . . 106 ARG H . 27939 1 361 . 1 . 1 107 107 ARG CA C 13 55.966 0.300 . 1 . . . . . 106 ARG CA . 27939 1 362 . 1 . 1 107 107 ARG CB C 13 30.201 0.300 . 1 . . . . . 106 ARG CB . 27939 1 363 . 1 . 1 107 107 ARG N N 15 121.724 0.300 . 1 . . . . . 106 ARG N . 27939 1 364 . 1 . 1 108 108 ALA H H 1 8.258 0.020 . 1 . . . . . 107 ALA H . 27939 1 365 . 1 . 1 108 108 ALA CA C 13 52.304 0.300 . 1 . . . . . 107 ALA CA . 27939 1 366 . 1 . 1 108 108 ALA CB C 13 18.700 0.300 . 1 . . . . . 107 ALA CB . 27939 1 367 . 1 . 1 108 108 ALA N N 15 125.264 0.300 . 1 . . . . . 107 ALA N . 27939 1 368 . 1 . 1 109 109 GLY H H 1 8.336 0.020 . 1 . . . . . 108 GLY H . 27939 1 369 . 1 . 1 109 109 GLY CA C 13 45.088 0.300 . 1 . . . . . 108 GLY CA . 27939 1 370 . 1 . 1 109 109 GLY N N 15 108.426 0.300 . 1 . . . . . 108 GLY N . 27939 1 371 . 1 . 1 110 110 GLY H H 1 8.191 0.020 . 1 . . . . . 109 GLY H . 27939 1 372 . 1 . 1 110 110 GLY CA C 13 44.969 0.300 . 1 . . . . . 109 GLY CA . 27939 1 373 . 1 . 1 110 110 GLY N N 15 108.731 0.300 . 1 . . . . . 109 GLY N . 27939 1 374 . 1 . 1 111 111 GLU H H 1 8.392 0.020 . 1 . . . . . 110 GLU H . 27939 1 375 . 1 . 1 111 111 GLU CA C 13 56.608 0.300 . 1 . . . . . 110 GLU CA . 27939 1 376 . 1 . 1 111 111 GLU CB C 13 29.623 0.300 . 1 . . . . . 110 GLU CB . 27939 1 377 . 1 . 1 111 111 GLU N N 15 120.578 0.300 . 1 . . . . . 110 GLU N . 27939 1 378 . 1 . 1 112 112 GLU H H 1 8.509 0.020 . 1 . . . . . 111 GLU H . 27939 1 379 . 1 . 1 112 112 GLU CA C 13 56.608 0.300 . 1 . . . . . 111 GLU CA . 27939 1 380 . 1 . 1 112 112 GLU CB C 13 29.494 0.300 . 1 . . . . . 111 GLU CB . 27939 1 381 . 1 . 1 112 112 GLU N N 15 121.441 0.300 . 1 . . . . . 111 GLU N . 27939 1 382 . 1 . 1 113 113 SER H H 1 8.218 0.020 . 1 . . . . . 112 SER H . 27939 1 383 . 1 . 1 113 113 SER CA C 13 58.192 0.300 . 1 . . . . . 112 SER CA . 27939 1 384 . 1 . 1 113 113 SER CB C 13 63.481 0.300 . 1 . . . . . 112 SER CB . 27939 1 385 . 1 . 1 113 113 SER N N 15 116.585 0.300 . 1 . . . . . 112 SER N . 27939 1 386 . 1 . 1 114 114 GLN H H 1 8.237 0.020 . 1 . . . . . 113 GLN H . 27939 1 387 . 1 . 1 114 114 GLN CA C 13 55.645 0.300 . 1 . . . . . 113 GLN CA . 27939 1 388 . 1 . 1 114 114 GLN CB C 13 28.916 0.300 . 1 . . . . . 113 GLN CB . 27939 1 389 . 1 . 1 114 114 GLN N N 15 121.906 0.300 . 1 . . . . . 113 GLN N . 27939 1 390 . 1 . 1 115 115 PHE H H 1 8.047 0.020 . 1 . . . . . 114 PHE H . 27939 1 391 . 1 . 1 115 115 PHE CA C 13 57.224 0.300 . 1 . . . . . 114 PHE CA . 27939 1 392 . 1 . 1 115 115 PHE CB C 13 39.163 0.300 . 1 . . . . . 114 PHE CB . 27939 1 393 . 1 . 1 115 115 PHE N N 15 120.550 0.300 . 1 . . . . . 114 PHE N . 27939 1 394 . 1 . 1 116 116 GLU H H 1 8.196 0.020 . 1 . . . . . 115 GLU H . 27939 1 395 . 1 . 1 116 116 GLU CA C 13 56.094 0.300 . 1 . . . . . 115 GLU CA . 27939 1 396 . 1 . 1 116 116 GLU CB C 13 29.751 0.300 . 1 . . . . . 115 GLU CB . 27939 1 397 . 1 . 1 116 116 GLU N N 15 122.078 0.300 . 1 . . . . . 115 GLU N . 27939 1 398 . 1 . 1 117 117 MET H H 1 8.175 0.020 . 1 . . . . . 116 MET H . 27939 1 399 . 1 . 1 117 117 MET CA C 13 55.031 0.300 . 1 . . . . . 116 MET CA . 27939 1 400 . 1 . 1 117 117 MET CB C 13 32.906 0.300 . 1 . . . . . 116 MET CB . 27939 1 401 . 1 . 1 117 117 MET N N 15 120.887 0.300 . 1 . . . . . 116 MET N . 27939 1 402 . 1 . 1 118 118 ASP H H 1 8.334 0.020 . 1 . . . . . 117 ASP H . 27939 1 403 . 1 . 1 118 118 ASP CA C 13 54.103 0.300 . 1 . . . . . 117 ASP CA . 27939 1 404 . 1 . 1 118 118 ASP CB C 13 40.481 0.300 . 1 . . . . . 117 ASP CB . 27939 1 405 . 1 . 1 118 118 ASP N N 15 122.226 0.300 . 1 . . . . . 117 ASP N . 27939 1 406 . 1 . 1 119 119 ILE H H 1 7.506 0.020 . 1 . . . . . 118 ILE H . 27939 1 407 . 1 . 1 119 119 ILE CA C 13 62.584 0.300 . 1 . . . . . 118 ILE CA . 27939 1 408 . 1 . 1 119 119 ILE CB C 13 39.453 0.300 . 1 . . . . . 118 ILE CB . 27939 1 409 . 1 . 1 119 119 ILE N N 15 124.539 0.300 . 1 . . . . . 118 ILE N . 27939 1 stop_ save_