################################### # 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 50964 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Rad6 _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 '3D HN(CO)CA' . . . 50964 1 2 '3D HNCA' . . . 50964 1 3 '3D HNCACB' . . . 50964 1 4 '3D CBCA(CO)NH' . . . 50964 1 5 '3D HNCO' . . . 50964 1 6 '2D 1H-15N HSQC' . . . 50964 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 . . 50964 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 SER C C 13 174.248 0.00 . . . . . . . 2 SER C . 50964 1 2 . 1 . 1 2 2 SER CA C 13 58.699 0.00 . . . . . . . 2 SER CA . 50964 1 3 . 1 . 1 3 3 THR H H 1 7.241 0.00 . . . . . . . 3 THR H . 50964 1 4 . 1 . 1 3 3 THR C C 13 172.879 0.00 . . . . . . . 3 THR C . 50964 1 5 . 1 . 1 3 3 THR CA C 13 58.896 0.00 . . . . . . . 3 THR CA . 50964 1 6 . 1 . 1 3 3 THR N N 15 113.609 0.01 . . . . . . . 3 THR N . 50964 1 7 . 1 . 1 4 4 PRO C C 13 179.981 0.00 . . . . . . . 4 PRO C . 50964 1 8 . 1 . 1 4 4 PRO CA C 13 66.167 0.00 . . . . . . . 4 PRO CA . 50964 1 9 . 1 . 1 5 5 ALA H H 1 9.014 0.01 . . . . . . . 5 ALA H . 50964 1 10 . 1 . 1 5 5 ALA C C 13 179.824 0.00 . . . . . . . 5 ALA C . 50964 1 11 . 1 . 1 5 5 ALA CA C 13 56.188 0.02 . . . . . . . 5 ALA CA . 50964 1 12 . 1 . 1 5 5 ALA N N 15 122.080 0.01 . . . . . . . 5 ALA N . 50964 1 13 . 1 . 1 6 6 ARG H H 1 7.388 0.00 . . . . . . . 6 ARG H . 50964 1 14 . 1 . 1 6 6 ARG C C 13 178.798 0.00 . . . . . . . 6 ARG C . 50964 1 15 . 1 . 1 6 6 ARG CA C 13 60.125 0.03 . . . . . . . 6 ARG CA . 50964 1 16 . 1 . 1 6 6 ARG N N 15 117.368 0.07 . . . . . . . 6 ARG N . 50964 1 17 . 1 . 1 7 7 ARG H H 1 8.357 0.01 . . . . . . . 7 ARG H . 50964 1 18 . 1 . 1 7 7 ARG C C 13 180.085 0.00 . . . . . . . 7 ARG C . 50964 1 19 . 1 . 1 7 7 ARG CA C 13 59.984 0.02 . . . . . . . 7 ARG CA . 50964 1 20 . 1 . 1 7 7 ARG N N 15 119.046 0.01 . . . . . . . 7 ARG N . 50964 1 21 . 1 . 1 8 8 ARG H H 1 8.019 0.01 . . . . . . . 8 ARG H . 50964 1 22 . 1 . 1 8 8 ARG C C 13 178.342 0.00 . . . . . . . 8 ARG C . 50964 1 23 . 1 . 1 8 8 ARG CA C 13 57.939 0.00 . . . . . . . 8 ARG CA . 50964 1 24 . 1 . 1 8 8 ARG N N 15 122.169 0.04 . . . . . . . 8 ARG N . 50964 1 25 . 1 . 1 9 9 LEU H H 1 8.714 0.01 . . . . . . . 9 LEU H . 50964 1 26 . 1 . 1 9 9 LEU C C 13 179.866 0.00 . . . . . . . 9 LEU C . 50964 1 27 . 1 . 1 9 9 LEU CA C 13 58.469 0.02 . . . . . . . 9 LEU CA . 50964 1 28 . 1 . 1 9 9 LEU N N 15 121.815 0.01 . . . . . . . 9 LEU N . 50964 1 29 . 1 . 1 10 10 MET H H 1 7.959 0.00 . . . . . . . 10 MET H . 50964 1 30 . 1 . 1 10 10 MET C C 13 180.104 0.00 . . . . . . . 10 MET C . 50964 1 31 . 1 . 1 10 10 MET CA C 13 57.600 0.01 . . . . . . . 10 MET CA . 50964 1 32 . 1 . 1 10 10 MET N N 15 118.467 0.01 . . . . . . . 10 MET N . 50964 1 33 . 1 . 1 11 11 ARG H H 1 7.760 0.00 . . . . . . . 11 ARG H . 50964 1 34 . 1 . 1 11 11 ARG C C 13 179.647 0.00 . . . . . . . 11 ARG C . 50964 1 35 . 1 . 1 11 11 ARG CA C 13 60.018 0.01 . . . . . . . 11 ARG CA . 50964 1 36 . 1 . 1 11 11 ARG N N 15 125.120 0.01 . . . . . . . 11 ARG N . 50964 1 37 . 1 . 1 12 12 ASP H H 1 9.291 0.00 . . . . . . . 12 ASP H . 50964 1 38 . 1 . 1 12 12 ASP C C 13 180.239 0.00 . . . . . . . 12 ASP C . 50964 1 39 . 1 . 1 12 12 ASP CA C 13 57.916 0.01 . . . . . . . 12 ASP CA . 50964 1 40 . 1 . 1 12 12 ASP N N 15 124.325 0.02 . . . . . . . 12 ASP N . 50964 1 41 . 1 . 1 13 13 PHE H H 1 8.968 0.01 . . . . . . . 13 PHE H . 50964 1 42 . 1 . 1 13 13 PHE C C 13 176.223 0.00 . . . . . . . 13 PHE C . 50964 1 43 . 1 . 1 13 13 PHE CA C 13 58.698 0.04 . . . . . . . 13 PHE CA . 50964 1 44 . 1 . 1 13 13 PHE N N 15 121.701 0.03 . . . . . . . 13 PHE N . 50964 1 45 . 1 . 1 14 14 LYS H H 1 7.953 0.00 . . . . . . . 14 LYS H . 50964 1 46 . 1 . 1 14 14 LYS C C 13 178.378 0.00 . . . . . . . 14 LYS C . 50964 1 47 . 1 . 1 14 14 LYS CA C 13 60.165 0.01 . . . . . . . 14 LYS CA . 50964 1 48 . 1 . 1 14 14 LYS N N 15 122.102 0.02 . . . . . . . 14 LYS N . 50964 1 49 . 1 . 1 15 15 ARG H H 1 7.660 0.00 . . . . . . . 15 ARG H . 50964 1 50 . 1 . 1 15 15 ARG C C 13 178.602 0.00 . . . . . . . 15 ARG C . 50964 1 51 . 1 . 1 15 15 ARG CA C 13 59.375 0.01 . . . . . . . 15 ARG CA . 50964 1 52 . 1 . 1 15 15 ARG N N 15 117.887 0.01 . . . . . . . 15 ARG N . 50964 1 53 . 1 . 1 16 16 MET H H 1 7.669 0.00 . . . . . . . 16 MET H . 50964 1 54 . 1 . 1 16 16 MET C C 13 178.115 0.00 . . . . . . . 16 MET C . 50964 1 55 . 1 . 1 16 16 MET CA C 13 55.540 0.01 . . . . . . . 16 MET CA . 50964 1 56 . 1 . 1 16 16 MET N N 15 117.069 0.01 . . . . . . . 16 MET N . 50964 1 57 . 1 . 1 17 17 LYS H H 1 8.169 0.01 . . . . . . . 17 LYS H . 50964 1 58 . 1 . 1 17 17 LYS C C 13 178.795 0.00 . . . . . . . 17 LYS C . 50964 1 59 . 1 . 1 17 17 LYS CA C 13 58.424 0.01 . . . . . . . 17 LYS CA . 50964 1 60 . 1 . 1 17 17 LYS N N 15 119.739 0.03 . . . . . . . 17 LYS N . 50964 1 61 . 1 . 1 18 18 GLU H H 1 7.876 0.00 . . . . . . . 18 GLU H . 50964 1 62 . 1 . 1 18 18 GLU C C 13 177.140 0.00 . . . . . . . 18 GLU C . 50964 1 63 . 1 . 1 18 18 GLU CA C 13 57.462 0.02 . . . . . . . 18 GLU CA . 50964 1 64 . 1 . 1 18 18 GLU N N 15 117.135 0.01 . . . . . . . 18 GLU N . 50964 1 65 . 1 . 1 19 19 ASP H H 1 8.454 0.00 . . . . . . . 19 ASP H . 50964 1 66 . 1 . 1 19 19 ASP C C 13 174.810 0.00 . . . . . . . 19 ASP C . 50964 1 67 . 1 . 1 19 19 ASP CA C 13 53.612 0.02 . . . . . . . 19 ASP CA . 50964 1 68 . 1 . 1 19 19 ASP N N 15 122.052 0.03 . . . . . . . 19 ASP N . 50964 1 69 . 1 . 1 20 20 ALA H H 1 8.183 0.00 . . . . . . . 20 ALA H . 50964 1 70 . 1 . 1 20 20 ALA C C 13 176.262 0.00 . . . . . . . 20 ALA C . 50964 1 71 . 1 . 1 20 20 ALA CA C 13 51.849 0.00 . . . . . . . 20 ALA CA . 50964 1 72 . 1 . 1 20 20 ALA N N 15 126.041 0.01 . . . . . . . 20 ALA N . 50964 1 73 . 1 . 1 22 22 PRO C C 13 178.738 0.00 . . . . . . . 22 PRO C . 50964 1 74 . 1 . 1 22 22 PRO CA C 13 63.646 0.00 . . . . . . . 22 PRO CA . 50964 1 75 . 1 . 1 23 23 GLY H H 1 8.576 0.00 . . . . . . . 23 GLY H . 50964 1 76 . 1 . 1 23 23 GLY C C 13 172.807 0.00 . . . . . . . 23 GLY C . 50964 1 77 . 1 . 1 23 23 GLY CA C 13 46.185 0.01 . . . . . . . 23 GLY CA . 50964 1 78 . 1 . 1 23 23 GLY N N 15 111.666 0.02 . . . . . . . 23 GLY N . 50964 1 79 . 1 . 1 24 24 VAL H H 1 7.493 0.00 . . . . . . . 24 VAL H . 50964 1 80 . 1 . 1 24 24 VAL C C 13 173.873 0.00 . . . . . . . 24 VAL C . 50964 1 81 . 1 . 1 24 24 VAL CA C 13 59.347 0.00 . . . . . . . 24 VAL CA . 50964 1 82 . 1 . 1 24 24 VAL N N 15 114.667 0.01 . . . . . . . 24 VAL N . 50964 1 83 . 1 . 1 25 25 SER H H 1 8.603 0.01 . . . . . . . 25 SER H . 50964 1 84 . 1 . 1 25 25 SER C C 13 172.975 0.00 . . . . . . . 25 SER C . 50964 1 85 . 1 . 1 25 25 SER CA C 13 56.855 0.01 . . . . . . . 25 SER CA . 50964 1 86 . 1 . 1 25 25 SER N N 15 116.058 0.02 . . . . . . . 25 SER N . 50964 1 87 . 1 . 1 26 26 ALA H H 1 8.210 0.00 . . . . . . . 26 ALA H . 50964 1 88 . 1 . 1 26 26 ALA C C 13 175.496 0.00 . . . . . . . 26 ALA C . 50964 1 89 . 1 . 1 26 26 ALA CA C 13 53.338 0.01 . . . . . . . 26 ALA CA . 50964 1 90 . 1 . 1 26 26 ALA N N 15 121.262 0.02 . . . . . . . 26 ALA N . 50964 1 91 . 1 . 1 27 27 SER H H 1 8.548 0.01 . . . . . . . 27 SER H . 50964 1 92 . 1 . 1 27 27 SER C C 13 170.548 0.00 . . . . . . . 27 SER C . 50964 1 93 . 1 . 1 27 27 SER CA C 13 55.900 0.00 . . . . . . . 27 SER CA . 50964 1 94 . 1 . 1 27 27 SER N N 15 112.332 0.01 . . . . . . . 27 SER N . 50964 1 95 . 1 . 1 28 28 PRO C C 13 177.080 0.00 . . . . . . . 28 PRO C . 50964 1 96 . 1 . 1 28 28 PRO CA C 13 61.395 0.00 . . . . . . . 28 PRO CA . 50964 1 97 . 1 . 1 29 29 LEU H H 1 8.356 0.01 . . . . . . . 29 LEU H . 50964 1 98 . 1 . 1 29 29 LEU C C 13 176.957 0.00 . . . . . . . 29 LEU C . 50964 1 99 . 1 . 1 29 29 LEU CA C 13 53.905 0.00 . . . . . . . 29 LEU CA . 50964 1 100 . 1 . 1 29 29 LEU N N 15 125.248 0.01 . . . . . . . 29 LEU N . 50964 1 101 . 1 . 1 30 30 PRO C C 13 177.026 0.00 . . . . . . . 30 PRO C . 50964 1 102 . 1 . 1 30 30 PRO CA C 13 64.678 0.00 . . . . . . . 30 PRO CA . 50964 1 103 . 1 . 1 31 31 ASP H H 1 8.041 0.00 . . . . . . . 31 ASP H . 50964 1 104 . 1 . 1 31 31 ASP C C 13 175.940 0.01 . . . . . . . 31 ASP C . 50964 1 105 . 1 . 1 31 31 ASP CA C 13 52.700 0.01 . . . . . . . 31 ASP CA . 50964 1 106 . 1 . 1 31 31 ASP N N 15 112.974 0.02 . . . . . . . 31 ASP N . 50964 1 107 . 1 . 1 32 32 ASN H H 1 7.109 0.00 . . . . . . . 32 ASN H . 50964 1 108 . 1 . 1 32 32 ASN C C 13 173.260 0.00 . . . . . . . 32 ASN C . 50964 1 109 . 1 . 1 32 32 ASN CA C 13 53.047 0.01 . . . . . . . 32 ASN CA . 50964 1 110 . 1 . 1 32 32 ASN N N 15 116.643 0.02 . . . . . . . 32 ASN N . 50964 1 111 . 1 . 1 33 33 VAL H H 1 8.257 0.01 . . . . . . . 33 VAL H . 50964 1 112 . 1 . 1 33 33 VAL C C 13 173.748 0.00 . . . . . . . 33 VAL C . 50964 1 113 . 1 . 1 33 33 VAL CA C 13 62.519 0.01 . . . . . . . 33 VAL CA . 50964 1 114 . 1 . 1 33 33 VAL N N 15 122.612 0.03 . . . . . . . 33 VAL N . 50964 1 115 . 1 . 1 34 34 MET H H 1 7.447 0.00 . . . . . . . 34 MET H . 50964 1 116 . 1 . 1 34 34 MET C C 13 176.156 0.02 . . . . . . . 34 MET C . 50964 1 117 . 1 . 1 34 34 MET CA C 13 54.518 0.02 . . . . . . . 34 MET CA . 50964 1 118 . 1 . 1 34 34 MET N N 15 113.259 0.03 . . . . . . . 34 MET N . 50964 1 119 . 1 . 1 35 35 VAL H H 1 7.629 0.00 . . . . . . . 35 VAL H . 50964 1 120 . 1 . 1 35 35 VAL C C 13 173.583 0.01 . . . . . . . 35 VAL C . 50964 1 121 . 1 . 1 35 35 VAL CA C 13 62.132 0.02 . . . . . . . 35 VAL CA . 50964 1 122 . 1 . 1 35 35 VAL N N 15 121.239 0.04 . . . . . . . 35 VAL N . 50964 1 123 . 1 . 1 36 36 TRP H H 1 9.707 0.01 . . . . . . . 36 TRP H . 50964 1 124 . 1 . 1 36 36 TRP C C 13 175.792 0.02 . . . . . . . 36 TRP C . 50964 1 125 . 1 . 1 36 36 TRP CA C 13 54.708 0.02 . . . . . . . 36 TRP CA . 50964 1 126 . 1 . 1 36 36 TRP N N 15 124.926 0.02 . . . . . . . 36 TRP N . 50964 1 127 . 1 . 1 37 37 ASN H H 1 8.175 0.01 . . . . . . . 37 ASN H . 50964 1 128 . 1 . 1 37 37 ASN C C 13 174.281 0.00 . . . . . . . 37 ASN C . 50964 1 129 . 1 . 1 37 37 ASN CA C 13 52.863 0.00 . . . . . . . 37 ASN CA . 50964 1 130 . 1 . 1 37 37 ASN N N 15 118.518 0.04 . . . . . . . 37 ASN N . 50964 1 131 . 1 . 1 38 38 ALA H H 1 8.473 0.01 . . . . . . . 38 ALA H . 50964 1 132 . 1 . 1 38 38 ALA C C 13 175.718 0.00 . . . . . . . 38 ALA C . 50964 1 133 . 1 . 1 38 38 ALA CA C 13 50.841 0.01 . . . . . . . 38 ALA CA . 50964 1 134 . 1 . 1 38 38 ALA N N 15 122.236 0.03 . . . . . . . 38 ALA N . 50964 1 135 . 1 . 1 39 39 MET H H 1 9.059 0.00 . . . . . . . 39 MET H . 50964 1 136 . 1 . 1 39 39 MET C C 13 174.178 0.00 . . . . . . . 39 MET C . 50964 1 137 . 1 . 1 39 39 MET CA C 13 55.182 0.01 . . . . . . . 39 MET CA . 50964 1 138 . 1 . 1 39 39 MET N N 15 123.634 0.02 . . . . . . . 39 MET N . 50964 1 139 . 1 . 1 40 40 ILE H H 1 8.997 0.01 . . . . . . . 40 ILE H . 50964 1 140 . 1 . 1 40 40 ILE C C 13 174.481 0.00 . . . . . . . 40 ILE C . 50964 1 141 . 1 . 1 40 40 ILE CA C 13 60.137 0.00 . . . . . . . 40 ILE CA . 50964 1 142 . 1 . 1 40 40 ILE N N 15 125.345 0.01 . . . . . . . 40 ILE N . 50964 1 143 . 1 . 1 41 41 ILE H H 1 8.585 0.00 . . . . . . . 41 ILE H . 50964 1 144 . 1 . 1 41 41 ILE C C 13 178.514 0.00 . . . . . . . 41 ILE C . 50964 1 145 . 1 . 1 41 41 ILE CA C 13 58.461 0.01 . . . . . . . 41 ILE CA . 50964 1 146 . 1 . 1 41 41 ILE N N 15 127.717 0.01 . . . . . . . 41 ILE N . 50964 1 147 . 1 . 1 42 42 GLY H H 1 9.411 0.00 . . . . . . . 42 GLY H . 50964 1 148 . 1 . 1 42 42 GLY C C 13 172.265 0.00 . . . . . . . 42 GLY C . 50964 1 149 . 1 . 1 42 42 GLY CA C 13 44.139 0.00 . . . . . . . 42 GLY CA . 50964 1 150 . 1 . 1 42 42 GLY N N 15 116.309 0.05 . . . . . . . 42 GLY N . 50964 1 151 . 1 . 1 43 43 PRO C C 13 176.025 0.00 . . . . . . . 43 PRO C . 50964 1 152 . 1 . 1 43 43 PRO CA C 13 62.984 0.01 . . . . . . . 43 PRO CA . 50964 1 153 . 1 . 1 44 44 ALA H H 1 8.486 0.00 . . . . . . . 44 ALA H . 50964 1 154 . 1 . 1 44 44 ALA C C 13 177.457 0.00 . . . . . . . 44 ALA C . 50964 1 155 . 1 . 1 44 44 ALA CA C 13 52.618 0.01 . . . . . . . 44 ALA CA . 50964 1 156 . 1 . 1 44 44 ALA N N 15 125.513 0.01 . . . . . . . 44 ALA N . 50964 1 157 . 1 . 1 45 45 ASP H H 1 8.919 0.00 . . . . . . . 45 ASP H . 50964 1 158 . 1 . 1 45 45 ASP C C 13 175.005 0.00 . . . . . . . 45 ASP C . 50964 1 159 . 1 . 1 45 45 ASP CA C 13 56.139 0.02 . . . . . . . 45 ASP CA . 50964 1 160 . 1 . 1 45 45 ASP N N 15 115.056 0.01 . . . . . . . 45 ASP N . 50964 1 161 . 1 . 1 46 46 THR H H 1 7.549 0.00 . . . . . . . 46 THR H . 50964 1 162 . 1 . 1 46 46 THR C C 13 175.292 0.00 . . . . . . . 46 THR C . 50964 1 163 . 1 . 1 46 46 THR CA C 13 59.716 0.00 . . . . . . . 46 THR CA . 50964 1 164 . 1 . 1 46 46 THR N N 15 107.256 0.02 . . . . . . . 46 THR N . 50964 1 165 . 1 . 1 47 47 PRO C C 13 174.878 0.00 . . . . . . . 47 PRO C . 50964 1 166 . 1 . 1 47 47 PRO CA C 13 64.337 0.00 . . . . . . . 47 PRO CA . 50964 1 167 . 1 . 1 48 48 TYR H H 1 7.091 0.00 . . . . . . . 48 TYR H . 50964 1 168 . 1 . 1 48 48 TYR C C 13 173.676 0.00 . . . . . . . 48 TYR C . 50964 1 169 . 1 . 1 48 48 TYR CA C 13 58.523 0.00 . . . . . . . 48 TYR CA . 50964 1 170 . 1 . 1 48 48 TYR N N 15 114.217 0.01 . . . . . . . 48 TYR N . 50964 1 171 . 1 . 1 49 49 GLU H H 1 7.227 0.00 . . . . . . . 49 GLU H . 50964 1 172 . 1 . 1 49 49 GLU C C 13 175.486 0.03 . . . . . . . 49 GLU C . 50964 1 173 . 1 . 1 49 49 GLU CA C 13 57.919 0.00 . . . . . . . 49 GLU CA . 50964 1 174 . 1 . 1 49 49 GLU N N 15 122.740 0.02 . . . . . . . 49 GLU N . 50964 1 175 . 1 . 1 50 50 ASP H H 1 8.213 0.01 . . . . . . . 50 ASP H . 50964 1 176 . 1 . 1 50 50 ASP C C 13 177.554 0.00 . . . . . . . 50 ASP C . 50964 1 177 . 1 . 1 50 50 ASP CA C 13 57.498 0.01 . . . . . . . 50 ASP CA . 50964 1 178 . 1 . 1 50 50 ASP N N 15 117.909 0.03 . . . . . . . 50 ASP N . 50964 1 179 . 1 . 1 51 51 GLY H H 1 8.773 0.00 . . . . . . . 51 GLY H . 50964 1 180 . 1 . 1 51 51 GLY C C 13 171.730 0.00 . . . . . . . 51 GLY C . 50964 1 181 . 1 . 1 51 51 GLY CA C 13 46.763 0.01 . . . . . . . 51 GLY CA . 50964 1 182 . 1 . 1 51 51 GLY N N 15 109.883 0.03 . . . . . . . 51 GLY N . 50964 1 183 . 1 . 1 52 52 THR H H 1 8.298 0.00 . . . . . . . 52 THR H . 50964 1 184 . 1 . 1 52 52 THR C C 13 175.296 0.00 . . . . . . . 52 THR C . 50964 1 185 . 1 . 1 52 52 THR CA C 13 56.924 0.01 . . . . . . . 52 THR CA . 50964 1 186 . 1 . 1 52 52 THR N N 15 116.424 0.02 . . . . . . . 52 THR N . 50964 1 187 . 1 . 1 53 53 PHE H H 1 8.049 0.00 . . . . . . . 53 PHE H . 50964 1 188 . 1 . 1 53 53 PHE C C 13 174.707 0.00 . . . . . . . 53 PHE C . 50964 1 189 . 1 . 1 53 53 PHE CA C 13 57.592 0.01 . . . . . . . 53 PHE CA . 50964 1 190 . 1 . 1 53 53 PHE N N 15 122.600 0.03 . . . . . . . 53 PHE N . 50964 1 191 . 1 . 1 54 54 ARG H H 1 9.368 0.00 . . . . . . . 54 ARG H . 50964 1 192 . 1 . 1 54 54 ARG C C 13 177.234 0.00 . . . . . . . 54 ARG C . 50964 1 193 . 1 . 1 54 54 ARG CA C 13 56.064 0.03 . . . . . . . 54 ARG CA . 50964 1 194 . 1 . 1 54 54 ARG N N 15 123.790 0.04 . . . . . . . 54 ARG N . 50964 1 195 . 1 . 1 55 55 LEU H H 1 9.061 0.00 . . . . . . . 55 LEU H . 50964 1 196 . 1 . 1 55 55 LEU C C 13 173.822 0.00 . . . . . . . 55 LEU C . 50964 1 197 . 1 . 1 55 55 LEU CA C 13 55.554 0.02 . . . . . . . 55 LEU CA . 50964 1 198 . 1 . 1 55 55 LEU N N 15 122.240 0.01 . . . . . . . 55 LEU N . 50964 1 199 . 1 . 1 56 56 LEU H H 1 8.765 0.00 . . . . . . . 56 LEU H . 50964 1 200 . 1 . 1 56 56 LEU C C 13 175.242 0.00 . . . . . . . 56 LEU C . 50964 1 201 . 1 . 1 56 56 LEU CA C 13 53.623 0.02 . . . . . . . 56 LEU CA . 50964 1 202 . 1 . 1 56 56 LEU N N 15 124.455 0.02 . . . . . . . 56 LEU N . 50964 1 203 . 1 . 1 57 57 LEU H H 1 8.858 0.00 . . . . . . . 57 LEU H . 50964 1 204 . 1 . 1 57 57 LEU C C 13 174.416 0.00 . . . . . . . 57 LEU C . 50964 1 205 . 1 . 1 57 57 LEU CA C 13 54.785 0.01 . . . . . . . 57 LEU CA . 50964 1 206 . 1 . 1 57 57 LEU N N 15 126.032 0.01 . . . . . . . 57 LEU N . 50964 1 207 . 1 . 1 58 58 GLU H H 1 8.567 0.00 . . . . . . . 58 GLU H . 50964 1 208 . 1 . 1 58 58 GLU C C 13 175.030 0.00 . . . . . . . 58 GLU C . 50964 1 209 . 1 . 1 58 58 GLU CA C 13 54.975 0.01 . . . . . . . 58 GLU CA . 50964 1 210 . 1 . 1 58 58 GLU N N 15 120.951 0.01 . . . . . . . 58 GLU N . 50964 1 211 . 1 . 1 59 59 PHE H H 1 9.262 0.00 . . . . . . . 59 PHE H . 50964 1 212 . 1 . 1 59 59 PHE C C 13 173.164 0.00 . . . . . . . 59 PHE C . 50964 1 213 . 1 . 1 59 59 PHE CA C 13 57.170 0.02 . . . . . . . 59 PHE CA . 50964 1 214 . 1 . 1 59 59 PHE N N 15 125.749 0.02 . . . . . . . 59 PHE N . 50964 1 215 . 1 . 1 60 60 ASP H H 1 7.560 0.00 . . . . . . . 60 ASP H . 50964 1 216 . 1 . 1 60 60 ASP C C 13 176.458 0.00 . . . . . . . 60 ASP C . 50964 1 217 . 1 . 1 60 60 ASP CA C 13 52.558 0.01 . . . . . . . 60 ASP CA . 50964 1 218 . 1 . 1 60 60 ASP N N 15 119.184 0.03 . . . . . . . 60 ASP N . 50964 1 219 . 1 . 1 61 61 GLU H H 1 7.949 0.00 . . . . . . . 61 GLU H . 50964 1 220 . 1 . 1 61 61 GLU C C 13 177.431 0.00 . . . . . . . 61 GLU C . 50964 1 221 . 1 . 1 61 61 GLU CA C 13 57.238 0.01 . . . . . . . 61 GLU CA . 50964 1 222 . 1 . 1 61 61 GLU N N 15 113.636 0.02 . . . . . . . 61 GLU N . 50964 1 223 . 1 . 1 62 62 GLU H H 1 8.490 0.00 . . . . . . . 62 GLU H . 50964 1 224 . 1 . 1 62 62 GLU C C 13 177.765 0.00 . . . . . . . 62 GLU C . 50964 1 225 . 1 . 1 62 62 GLU CA C 13 56.543 0.02 . . . . . . . 62 GLU CA . 50964 1 226 . 1 . 1 62 62 GLU N N 15 118.300 0.01 . . . . . . . 62 GLU N . 50964 1 227 . 1 . 1 63 63 TYR H H 1 7.920 0.00 . . . . . . . 63 TYR H . 50964 1 228 . 1 . 1 63 63 TYR C C 13 174.810 0.00 . . . . . . . 63 TYR C . 50964 1 229 . 1 . 1 63 63 TYR CA C 13 57.921 0.00 . . . . . . . 63 TYR CA . 50964 1 230 . 1 . 1 63 63 TYR N N 15 126.472 0.01 . . . . . . . 63 TYR N . 50964 1 231 . 1 . 1 64 64 PRO C C 13 175.161 0.00 . . . . . . . 64 PRO C . 50964 1 232 . 1 . 1 64 64 PRO CA C 13 63.924 0.00 . . . . . . . 64 PRO CA . 50964 1 233 . 1 . 1 65 65 ASN H H 1 9.032 0.00 . . . . . . . 65 ASN H . 50964 1 234 . 1 . 1 65 65 ASN C C 13 174.419 0.00 . . . . . . . 65 ASN C . 50964 1 235 . 1 . 1 65 65 ASN CA C 13 56.125 0.00 . . . . . . . 65 ASN CA . 50964 1 236 . 1 . 1 65 65 ASN N N 15 124.874 0.01 . . . . . . . 65 ASN N . 50964 1 237 . 1 . 1 66 66 LYS H H 1 7.141 0.00 . . . . . . . 66 LYS H . 50964 1 238 . 1 . 1 66 66 LYS C C 13 172.358 0.00 . . . . . . . 66 LYS C . 50964 1 239 . 1 . 1 66 66 LYS CA C 13 52.125 0.00 . . . . . . . 66 LYS CA . 50964 1 240 . 1 . 1 66 66 LYS N N 15 120.431 0.02 . . . . . . . 66 LYS N . 50964 1 241 . 1 . 1 68 68 PRO C C 13 175.507 0.00 . . . . . . . 68 PRO C . 50964 1 242 . 1 . 1 68 68 PRO CA C 13 61.040 0.00 . . . . . . . 68 PRO CA . 50964 1 243 . 1 . 1 69 69 HIS H H 1 8.072 0.00 . . . . . . . 69 HIS H . 50964 1 244 . 1 . 1 69 69 HIS C C 13 174.538 0.00 . . . . . . . 69 HIS C . 50964 1 245 . 1 . 1 69 69 HIS CA C 13 55.240 0.01 . . . . . . . 69 HIS CA . 50964 1 246 . 1 . 1 69 69 HIS N N 15 118.308 0.02 . . . . . . . 69 HIS N . 50964 1 247 . 1 . 1 70 70 VAL H H 1 8.334 0.01 . . . . . . . 70 VAL H . 50964 1 248 . 1 . 1 70 70 VAL C C 13 173.247 0.00 . . . . . . . 70 VAL C . 50964 1 249 . 1 . 1 70 70 VAL CA C 13 60.575 0.00 . . . . . . . 70 VAL CA . 50964 1 250 . 1 . 1 70 70 VAL N N 15 128.731 0.03 . . . . . . . 70 VAL N . 50964 1 251 . 1 . 1 71 71 LYS H H 1 8.050 0.00 . . . . . . . 71 LYS H . 50964 1 252 . 1 . 1 71 71 LYS C C 13 175.618 0.00 . . . . . . . 71 LYS C . 50964 1 253 . 1 . 1 71 71 LYS CA C 13 54.218 0.01 . . . . . . . 71 LYS CA . 50964 1 254 . 1 . 1 71 71 LYS N N 15 121.446 0.02 . . . . . . . 71 LYS N . 50964 1 255 . 1 . 1 72 72 PHE H H 1 9.354 0.00 . . . . . . . 72 PHE H . 50964 1 256 . 1 . 1 72 72 PHE C C 13 176.378 0.00 . . . . . . . 72 PHE C . 50964 1 257 . 1 . 1 72 72 PHE CA C 13 60.115 0.02 . . . . . . . 72 PHE CA . 50964 1 258 . 1 . 1 72 72 PHE N N 15 121.087 0.02 . . . . . . . 72 PHE N . 50964 1 259 . 1 . 1 73 73 LEU H H 1 9.305 0.01 . . . . . . . 73 LEU H . 50964 1 260 . 1 . 1 73 73 LEU C C 13 178.816 0.00 . . . . . . . 73 LEU C . 50964 1 261 . 1 . 1 73 73 LEU CA C 13 54.920 0.00 . . . . . . . 73 LEU CA . 50964 1 262 . 1 . 1 73 73 LEU N N 15 123.194 0.03 . . . . . . . 73 LEU N . 50964 1 263 . 1 . 1 74 74 SER H H 1 7.279 0.00 . . . . . . . 74 SER H . 50964 1 264 . 1 . 1 74 74 SER C C 13 172.890 0.00 . . . . . . . 74 SER C . 50964 1 265 . 1 . 1 74 74 SER CA C 13 59.452 0.00 . . . . . . . 74 SER CA . 50964 1 266 . 1 . 1 74 74 SER N N 15 115.948 0.01 . . . . . . . 74 SER N . 50964 1 267 . 1 . 1 75 75 GLU H H 1 8.665 0.00 . . . . . . . 75 GLU H . 50964 1 268 . 1 . 1 75 75 GLU C C 13 176.046 0.00 . . . . . . . 75 GLU C . 50964 1 269 . 1 . 1 75 75 GLU CA C 13 57.939 0.00 . . . . . . . 75 GLU CA . 50964 1 270 . 1 . 1 75 75 GLU N N 15 126.619 0.01 . . . . . . . 75 GLU N . 50964 1 271 . 1 . 1 76 76 MET H H 1 8.555 0.00 . . . . . . . 76 MET H . 50964 1 272 . 1 . 1 76 76 MET C C 13 175.702 0.00 . . . . . . . 76 MET C . 50964 1 273 . 1 . 1 76 76 MET CA C 13 51.664 0.00 . . . . . . . 76 MET CA . 50964 1 274 . 1 . 1 76 76 MET N N 15 123.177 0.01 . . . . . . . 76 MET N . 50964 1 275 . 1 . 1 77 77 PHE H H 1 8.652 0.01 . . . . . . . 77 PHE H . 50964 1 276 . 1 . 1 77 77 PHE C C 13 172.905 0.00 . . . . . . . 77 PHE C . 50964 1 277 . 1 . 1 77 77 PHE CA C 13 58.360 0.05 . . . . . . . 77 PHE CA . 50964 1 278 . 1 . 1 77 77 PHE N N 15 123.575 0.02 . . . . . . . 77 PHE N . 50964 1 279 . 1 . 1 78 78 HIS H H 1 8.981 0.01 . . . . . . . 78 HIS H . 50964 1 280 . 1 . 1 78 78 HIS C C 13 173.122 0.00 . . . . . . . 78 HIS C . 50964 1 281 . 1 . 1 78 78 HIS CA C 13 55.101 0.00 . . . . . . . 78 HIS CA . 50964 1 282 . 1 . 1 78 78 HIS N N 15 128.290 0.02 . . . . . . . 78 HIS N . 50964 1 283 . 1 . 1 79 79 PRO C C 13 175.828 0.00 . . . . . . . 79 PRO C . 50964 1 284 . 1 . 1 79 79 PRO CA C 13 65.452 0.00 . . . . . . . 79 PRO CA . 50964 1 285 . 1 . 1 80 80 ASN H H 1 11.174 0.01 . . . . . . . 80 ASN H . 50964 1 286 . 1 . 1 80 80 ASN C C 13 171.803 0.03 . . . . . . . 80 ASN C . 50964 1 287 . 1 . 1 80 80 ASN CA C 13 53.664 0.02 . . . . . . . 80 ASN CA . 50964 1 288 . 1 . 1 80 80 ASN N N 15 116.091 0.01 . . . . . . . 80 ASN N . 50964 1 289 . 1 . 1 81 81 VAL H H 1 7.405 0.00 . . . . . . . 81 VAL H . 50964 1 290 . 1 . 1 81 81 VAL C C 13 175.336 0.00 . . . . . . . 81 VAL C . 50964 1 291 . 1 . 1 81 81 VAL CA C 13 61.312 0.01 . . . . . . . 81 VAL CA . 50964 1 292 . 1 . 1 81 81 VAL N N 15 121.494 0.02 . . . . . . . 81 VAL N . 50964 1 293 . 1 . 1 82 82 TYR H H 1 8.812 0.00 . . . . . . . 82 TYR H . 50964 1 294 . 1 . 1 82 82 TYR CA C 13 59.005 0.00 . . . . . . . 82 TYR CA . 50964 1 295 . 1 . 1 82 82 TYR N N 15 125.451 0.02 . . . . . . . 82 TYR N . 50964 1 296 . 1 . 1 83 83 ALA C C 13 177.895 0.00 . . . . . . . 83 ALA C . 50964 1 297 . 1 . 1 83 83 ALA CA C 13 55.111 0.00 . . . . . . . 83 ALA CA . 50964 1 298 . 1 . 1 84 84 ASN H H 1 7.630 0.00 . . . . . . . 84 ASN H . 50964 1 299 . 1 . 1 84 84 ASN C C 13 176.470 0.00 . . . . . . . 84 ASN C . 50964 1 300 . 1 . 1 84 84 ASN CA C 13 52.481 0.01 . . . . . . . 84 ASN CA . 50964 1 301 . 1 . 1 84 84 ASN N N 15 113.391 0.03 . . . . . . . 84 ASN N . 50964 1 302 . 1 . 1 85 85 GLY H H 1 8.284 0.00 . . . . . . . 85 GLY H . 50964 1 303 . 1 . 1 85 85 GLY C C 13 175.211 0.00 . . . . . . . 85 GLY C . 50964 1 304 . 1 . 1 85 85 GLY CA C 13 45.837 0.01 . . . . . . . 85 GLY CA . 50964 1 305 . 1 . 1 85 85 GLY N N 15 108.908 0.01 . . . . . . . 85 GLY N . 50964 1 306 . 1 . 1 86 86 GLU H H 1 7.779 0.00 . . . . . . . 86 GLU H . 50964 1 307 . 1 . 1 86 86 GLU C C 13 174.833 0.00 . . . . . . . 86 GLU C . 50964 1 308 . 1 . 1 86 86 GLU CA C 13 57.446 0.02 . . . . . . . 86 GLU CA . 50964 1 309 . 1 . 1 86 86 GLU N N 15 120.114 0.02 . . . . . . . 86 GLU N . 50964 1 310 . 1 . 1 87 87 ILE H H 1 9.266 0.00 . . . . . . . 87 ILE H . 50964 1 311 . 1 . 1 87 87 ILE C C 13 175.239 0.00 . . . . . . . 87 ILE C . 50964 1 312 . 1 . 1 87 87 ILE CA C 13 61.162 0.02 . . . . . . . 87 ILE CA . 50964 1 313 . 1 . 1 87 87 ILE N N 15 120.809 0.02 . . . . . . . 87 ILE N . 50964 1 314 . 1 . 1 88 88 CYS H H 1 8.567 0.00 . . . . . . . 88 CYS H . 50964 1 315 . 1 . 1 88 88 CYS C C 13 172.189 0.00 . . . . . . . 88 CYS C . 50964 1 316 . 1 . 1 88 88 CYS CA C 13 58.322 0.00 . . . . . . . 88 CYS CA . 50964 1 317 . 1 . 1 88 88 CYS N N 15 128.387 0.01 . . . . . . . 88 CYS N . 50964 1 318 . 1 . 1 89 89 LEU H H 1 7.549 0.01 . . . . . . . 89 LEU H . 50964 1 319 . 1 . 1 89 89 LEU CA C 13 54.048 0.00 . . . . . . . 89 LEU CA . 50964 1 320 . 1 . 1 89 89 LEU N N 15 128.145 0.01 . . . . . . . 89 LEU N . 50964 1 321 . 1 . 1 90 90 ASP C C 13 180.032 0.00 . . . . . . . 90 ASP C . 50964 1 322 . 1 . 1 90 90 ASP CA C 13 58.302 0.00 . . . . . . . 90 ASP CA . 50964 1 323 . 1 . 1 91 91 ILE H H 1 8.018 0.00 . . . . . . . 91 ILE H . 50964 1 324 . 1 . 1 91 91 ILE C C 13 173.585 0.00 . . . . . . . 91 ILE C . 50964 1 325 . 1 . 1 91 91 ILE CA C 13 64.220 0.01 . . . . . . . 91 ILE CA . 50964 1 326 . 1 . 1 91 91 ILE N N 15 118.473 0.01 . . . . . . . 91 ILE N . 50964 1 327 . 1 . 1 92 92 LEU H H 1 7.128 0.00 . . . . . . . 92 LEU H . 50964 1 328 . 1 . 1 92 92 LEU C C 13 176.740 0.00 . . . . . . . 92 LEU C . 50964 1 329 . 1 . 1 92 92 LEU CA C 13 54.320 0.01 . . . . . . . 92 LEU CA . 50964 1 330 . 1 . 1 92 92 LEU N N 15 114.218 0.01 . . . . . . . 92 LEU N . 50964 1 331 . 1 . 1 93 93 GLN H H 1 7.697 0.00 . . . . . . . 93 GLN H . 50964 1 332 . 1 . 1 93 93 GLN C C 13 175.918 0.00 . . . . . . . 93 GLN C . 50964 1 333 . 1 . 1 93 93 GLN CA C 13 56.156 0.00 . . . . . . . 93 GLN CA . 50964 1 334 . 1 . 1 93 93 GLN N N 15 120.097 0.01 . . . . . . . 93 GLN N . 50964 1 335 . 1 . 1 94 94 ASN C C 13 175.984 0.00 . . . . . . . 94 ASN C . 50964 1 336 . 1 . 1 94 94 ASN CA C 13 55.176 0.00 . . . . . . . 94 ASN CA . 50964 1 337 . 1 . 1 95 95 ARG H H 1 7.872 0.00 . . . . . . . 95 ARG H . 50964 1 338 . 1 . 1 95 95 ARG C C 13 174.851 0.00 . . . . . . . 95 ARG C . 50964 1 339 . 1 . 1 95 95 ARG CA C 13 54.591 0.05 . . . . . . . 95 ARG CA . 50964 1 340 . 1 . 1 95 95 ARG N N 15 118.123 0.01 . . . . . . . 95 ARG N . 50964 1 341 . 1 . 1 96 96 TRP H H 1 7.451 0.00 . . . . . . . 96 TRP H . 50964 1 342 . 1 . 1 96 96 TRP C C 13 176.500 0.02 . . . . . . . 96 TRP C . 50964 1 343 . 1 . 1 96 96 TRP CA C 13 59.654 0.00 . . . . . . . 96 TRP CA . 50964 1 344 . 1 . 1 96 96 TRP N N 15 122.523 0.01 . . . . . . . 96 TRP N . 50964 1 345 . 1 . 1 97 97 THR H H 1 5.700 0.00 . . . . . . . 97 THR H . 50964 1 346 . 1 . 1 97 97 THR C C 13 170.948 0.00 . . . . . . . 97 THR C . 50964 1 347 . 1 . 1 97 97 THR CA C 13 57.539 0.00 . . . . . . . 97 THR CA . 50964 1 348 . 1 . 1 97 97 THR N N 15 120.871 0.05 . . . . . . . 97 THR N . 50964 1 349 . 1 . 1 98 98 PRO C C 13 175.686 0.00 . . . . . . . 98 PRO C . 50964 1 350 . 1 . 1 98 98 PRO CA C 13 63.698 0.03 . . . . . . . 98 PRO CA . 50964 1 351 . 1 . 1 99 99 THR H H 1 6.714 0.00 . . . . . . . 99 THR H . 50964 1 352 . 1 . 1 99 99 THR C C 13 176.091 0.01 . . . . . . . 99 THR C . 50964 1 353 . 1 . 1 99 99 THR CA C 13 62.375 0.04 . . . . . . . 99 THR CA . 50964 1 354 . 1 . 1 99 99 THR N N 15 108.931 0.02 . . . . . . . 99 THR N . 50964 1 355 . 1 . 1 100 100 TYR H H 1 6.866 0.00 . . . . . . . 100 TYR H . 50964 1 356 . 1 . 1 100 100 TYR C C 13 172.861 0.02 . . . . . . . 100 TYR C . 50964 1 357 . 1 . 1 100 100 TYR CA C 13 57.397 0.02 . . . . . . . 100 TYR CA . 50964 1 358 . 1 . 1 100 100 TYR N N 15 123.463 0.02 . . . . . . . 100 TYR N . 50964 1 359 . 1 . 1 101 101 ASP H H 1 7.826 0.00 . . . . . . . 101 ASP H . 50964 1 360 . 1 . 1 101 101 ASP C C 13 175.671 0.01 . . . . . . . 101 ASP C . 50964 1 361 . 1 . 1 101 101 ASP CA C 13 51.239 0.01 . . . . . . . 101 ASP CA . 50964 1 362 . 1 . 1 101 101 ASP N N 15 117.246 0.02 . . . . . . . 101 ASP N . 50964 1 363 . 1 . 1 102 102 VAL H H 1 7.389 0.00 . . . . . . . 102 VAL H . 50964 1 364 . 1 . 1 102 102 VAL C C 13 176.912 0.00 . . . . . . . 102 VAL C . 50964 1 365 . 1 . 1 102 102 VAL CA C 13 68.818 0.00 . . . . . . . 102 VAL CA . 50964 1 366 . 1 . 1 102 102 VAL N N 15 119.499 0.04 . . . . . . . 102 VAL N . 50964 1 367 . 1 . 1 103 103 ALA H H 1 7.892 0.01 . . . . . . . 103 ALA H . 50964 1 368 . 1 . 1 103 103 ALA C C 13 179.401 0.03 . . . . . . . 103 ALA C . 50964 1 369 . 1 . 1 103 103 ALA CA C 13 56.703 0.00 . . . . . . . 103 ALA CA . 50964 1 370 . 1 . 1 103 103 ALA N N 15 120.358 0.04 . . . . . . . 103 ALA N . 50964 1 371 . 1 . 1 104 104 SER H H 1 8.400 0.00 . . . . . . . 104 SER H . 50964 1 372 . 1 . 1 104 104 SER C C 13 178.195 0.01 . . . . . . . 104 SER C . 50964 1 373 . 1 . 1 104 104 SER CA C 13 61.489 0.01 . . . . . . . 104 SER CA . 50964 1 374 . 1 . 1 104 104 SER N N 15 114.690 0.01 . . . . . . . 104 SER N . 50964 1 375 . 1 . 1 105 105 ILE H H 1 8.611 0.00 . . . . . . . 105 ILE H . 50964 1 376 . 1 . 1 105 105 ILE C C 13 177.734 0.01 . . . . . . . 105 ILE C . 50964 1 377 . 1 . 1 105 105 ILE CA C 13 66.098 0.03 . . . . . . . 105 ILE CA . 50964 1 378 . 1 . 1 105 105 ILE N N 15 126.029 0.02 . . . . . . . 105 ILE N . 50964 1 379 . 1 . 1 106 106 LEU H H 1 8.192 0.01 . . . . . . . 106 LEU H . 50964 1 380 . 1 . 1 106 106 LEU C C 13 179.558 0.01 . . . . . . . 106 LEU C . 50964 1 381 . 1 . 1 106 106 LEU CA C 13 58.157 0.01 . . . . . . . 106 LEU CA . 50964 1 382 . 1 . 1 106 106 LEU N N 15 117.867 0.03 . . . . . . . 106 LEU N . 50964 1 383 . 1 . 1 107 107 THR H H 1 8.696 0.00 . . . . . . . 107 THR H . 50964 1 384 . 1 . 1 107 107 THR C C 13 177.970 0.01 . . . . . . . 107 THR C . 50964 1 385 . 1 . 1 107 107 THR CA C 13 66.218 0.01 . . . . . . . 107 THR CA . 50964 1 386 . 1 . 1 107 107 THR N N 15 113.651 0.03 . . . . . . . 107 THR N . 50964 1 387 . 1 . 1 108 108 SER H H 1 7.846 0.00 . . . . . . . 108 SER H . 50964 1 388 . 1 . 1 108 108 SER C C 13 176.649 0.00 . . . . . . . 108 SER C . 50964 1 389 . 1 . 1 108 108 SER CA C 13 63.024 0.02 . . . . . . . 108 SER CA . 50964 1 390 . 1 . 1 108 108 SER N N 15 121.428 0.02 . . . . . . . 108 SER N . 50964 1 391 . 1 . 1 109 109 ILE H H 1 7.836 0.00 . . . . . . . 109 ILE H . 50964 1 392 . 1 . 1 109 109 ILE C C 13 176.775 0.03 . . . . . . . 109 ILE C . 50964 1 393 . 1 . 1 109 109 ILE CA C 13 65.520 0.03 . . . . . . . 109 ILE CA . 50964 1 394 . 1 . 1 109 109 ILE N N 15 123.170 0.02 . . . . . . . 109 ILE N . 50964 1 395 . 1 . 1 110 110 GLN H H 1 8.373 0.00 . . . . . . . 110 GLN H . 50964 1 396 . 1 . 1 110 110 GLN C C 13 178.121 0.05 . . . . . . . 110 GLN C . 50964 1 397 . 1 . 1 110 110 GLN CA C 13 59.038 0.01 . . . . . . . 110 GLN CA . 50964 1 398 . 1 . 1 110 110 GLN N N 15 120.637 0.04 . . . . . . . 110 GLN N . 50964 1 399 . 1 . 1 111 111 SER H H 1 7.913 0.00 . . . . . . . 111 SER H . 50964 1 400 . 1 . 1 111 111 SER C C 13 176.033 0.04 . . . . . . . 111 SER C . 50964 1 401 . 1 . 1 111 111 SER CA C 13 61.689 0.02 . . . . . . . 111 SER CA . 50964 1 402 . 1 . 1 111 111 SER N N 15 114.259 0.02 . . . . . . . 111 SER N . 50964 1 403 . 1 . 1 112 112 LEU H H 1 7.509 0.00 . . . . . . . 112 LEU H . 50964 1 404 . 1 . 1 112 112 LEU C C 13 180.774 0.02 . . . . . . . 112 LEU C . 50964 1 405 . 1 . 1 112 112 LEU CA C 13 56.336 0.00 . . . . . . . 112 LEU CA . 50964 1 406 . 1 . 1 112 112 LEU N N 15 121.250 0.02 . . . . . . . 112 LEU N . 50964 1 407 . 1 . 1 113 113 PHE H H 1 7.540 0.00 . . . . . . . 113 PHE H . 50964 1 408 . 1 . 1 113 113 PHE C C 13 175.784 0.00 . . . . . . . 113 PHE C . 50964 1 409 . 1 . 1 113 113 PHE CA C 13 60.407 0.03 . . . . . . . 113 PHE CA . 50964 1 410 . 1 . 1 113 113 PHE N N 15 118.579 0.02 . . . . . . . 113 PHE N . 50964 1 411 . 1 . 1 114 114 ASN H H 1 7.540 0.00 . . . . . . . 114 ASN H . 50964 1 412 . 1 . 1 114 114 ASN C C 13 174.976 0.02 . . . . . . . 114 ASN C . 50964 1 413 . 1 . 1 114 114 ASN CA C 13 54.866 0.03 . . . . . . . 114 ASN CA . 50964 1 414 . 1 . 1 114 114 ASN N N 15 114.635 0.01 . . . . . . . 114 ASN N . 50964 1 415 . 1 . 1 115 115 ASP H H 1 7.378 0.01 . . . . . . . 115 ASP H . 50964 1 416 . 1 . 1 115 115 ASP C C 13 170.845 0.00 . . . . . . . 115 ASP C . 50964 1 417 . 1 . 1 115 115 ASP CA C 13 52.009 0.00 . . . . . . . 115 ASP CA . 50964 1 418 . 1 . 1 115 115 ASP N N 15 117.158 0.02 . . . . . . . 115 ASP N . 50964 1 419 . 1 . 1 116 116 PRO C C 13 175.488 0.00 . . . . . . . 116 PRO C . 50964 1 420 . 1 . 1 116 116 PRO CA C 13 62.630 0.01 . . . . . . . 116 PRO CA . 50964 1 421 . 1 . 1 117 117 ASN H H 1 9.102 0.00 . . . . . . . 117 ASN H . 50964 1 422 . 1 . 1 117 117 ASN C C 13 175.611 0.00 . . . . . . . 117 ASN C . 50964 1 423 . 1 . 1 117 117 ASN CA C 13 50.029 0.00 . . . . . . . 117 ASN CA . 50964 1 424 . 1 . 1 117 117 ASN N N 15 121.064 0.01 . . . . . . . 117 ASN N . 50964 1 425 . 1 . 1 118 118 PRO C C 13 175.676 0.00 . . . . . . . 118 PRO C . 50964 1 426 . 1 . 1 118 118 PRO CA C 13 63.718 0.01 . . . . . . . 118 PRO CA . 50964 1 427 . 1 . 1 119 119 ALA H H 1 7.684 0.00 . . . . . . . 119 ALA H . 50964 1 428 . 1 . 1 119 119 ALA C C 13 177.153 0.00 . . . . . . . 119 ALA C . 50964 1 429 . 1 . 1 119 119 ALA CA C 13 52.755 0.01 . . . . . . . 119 ALA CA . 50964 1 430 . 1 . 1 119 119 ALA N N 15 121.246 0.01 . . . . . . . 119 ALA N . 50964 1 431 . 1 . 1 120 120 SER H H 1 7.076 0.00 . . . . . . . 120 SER H . 50964 1 432 . 1 . 1 120 120 SER C C 13 171.913 0.00 . . . . . . . 120 SER C . 50964 1 433 . 1 . 1 120 120 SER CA C 13 55.091 0.00 . . . . . . . 120 SER CA . 50964 1 434 . 1 . 1 120 120 SER N N 15 113.255 0.01 . . . . . . . 120 SER N . 50964 1 435 . 1 . 1 121 121 PRO C C 13 174.737 0.00 . . . . . . . 121 PRO C . 50964 1 436 . 1 . 1 121 121 PRO CA C 13 62.561 0.00 . . . . . . . 121 PRO CA . 50964 1 437 . 1 . 1 122 122 ALA H H 1 8.218 0.00 . . . . . . . 122 ALA H . 50964 1 438 . 1 . 1 122 122 ALA C C 13 177.056 0.06 . . . . . . . 122 ALA C . 50964 1 439 . 1 . 1 122 122 ALA CA C 13 53.714 0.02 . . . . . . . 122 ALA CA . 50964 1 440 . 1 . 1 122 122 ALA N N 15 128.911 0.03 . . . . . . . 122 ALA N . 50964 1 441 . 1 . 1 123 123 ASN H H 1 7.205 0.00 . . . . . . . 123 ASN H . 50964 1 442 . 1 . 1 123 123 ASN C C 13 175.779 0.03 . . . . . . . 123 ASN C . 50964 1 443 . 1 . 1 123 123 ASN CA C 13 51.362 0.00 . . . . . . . 123 ASN CA . 50964 1 444 . 1 . 1 123 123 ASN N N 15 115.906 0.03 . . . . . . . 123 ASN N . 50964 1 445 . 1 . 1 124 124 VAL H H 1 8.626 0.00 . . . . . . . 124 VAL H . 50964 1 446 . 1 . 1 124 124 VAL C C 13 178.180 0.06 . . . . . . . 124 VAL C . 50964 1 447 . 1 . 1 124 124 VAL CA C 13 66.120 0.02 . . . . . . . 124 VAL CA . 50964 1 448 . 1 . 1 124 124 VAL N N 15 124.896 0.05 . . . . . . . 124 VAL N . 50964 1 449 . 1 . 1 125 125 GLU H H 1 8.221 0.00 . . . . . . . 125 GLU H . 50964 1 450 . 1 . 1 125 125 GLU C C 13 178.624 0.00 . . . . . . . 125 GLU C . 50964 1 451 . 1 . 1 125 125 GLU CA C 13 59.840 0.00 . . . . . . . 125 GLU CA . 50964 1 452 . 1 . 1 125 125 GLU N N 15 125.158 0.02 . . . . . . . 125 GLU N . 50964 1 453 . 1 . 1 126 126 ALA H H 1 7.108 0.01 . . . . . . . 126 ALA H . 50964 1 454 . 1 . 1 126 126 ALA C C 13 178.963 0.00 . . . . . . . 126 ALA C . 50964 1 455 . 1 . 1 126 126 ALA CA C 13 54.882 0.01 . . . . . . . 126 ALA CA . 50964 1 456 . 1 . 1 126 126 ALA N N 15 120.147 0.01 . . . . . . . 126 ALA N . 50964 1 457 . 1 . 1 127 127 ALA H H 1 8.150 0.00 . . . . . . . 127 ALA H . 50964 1 458 . 1 . 1 127 127 ALA C C 13 179.217 0.00 . . . . . . . 127 ALA C . 50964 1 459 . 1 . 1 127 127 ALA CA C 13 55.681 0.03 . . . . . . . 127 ALA CA . 50964 1 460 . 1 . 1 127 127 ALA N N 15 120.113 0.03 . . . . . . . 127 ALA N . 50964 1 461 . 1 . 1 128 128 THR H H 1 8.391 0.00 . . . . . . . 128 THR H . 50964 1 462 . 1 . 1 128 128 THR C C 13 176.334 0.00 . . . . . . . 128 THR C . 50964 1 463 . 1 . 1 128 128 THR CA C 13 66.693 0.02 . . . . . . . 128 THR CA . 50964 1 464 . 1 . 1 128 128 THR N N 15 116.126 0.01 . . . . . . . 128 THR N . 50964 1 465 . 1 . 1 129 129 LEU H H 1 8.355 0.01 . . . . . . . 129 LEU H . 50964 1 466 . 1 . 1 129 129 LEU C C 13 177.968 0.01 . . . . . . . 129 LEU C . 50964 1 467 . 1 . 1 129 129 LEU CA C 13 58.302 0.06 . . . . . . . 129 LEU CA . 50964 1 468 . 1 . 1 129 129 LEU N N 15 121.880 0.03 . . . . . . . 129 LEU N . 50964 1 469 . 1 . 1 130 130 PHE H H 1 8.212 0.01 . . . . . . . 130 PHE H . 50964 1 470 . 1 . 1 130 130 PHE C C 13 175.408 0.00 . . . . . . . 130 PHE C . 50964 1 471 . 1 . 1 130 130 PHE CA C 13 61.453 0.05 . . . . . . . 130 PHE CA . 50964 1 472 . 1 . 1 130 130 PHE N N 15 117.967 0.05 . . . . . . . 130 PHE N . 50964 1 473 . 1 . 1 131 131 LYS H H 1 7.113 0.00 . . . . . . . 131 LYS H . 50964 1 474 . 1 . 1 131 131 LYS C C 13 178.322 0.02 . . . . . . . 131 LYS C . 50964 1 475 . 1 . 1 131 131 LYS CA C 13 58.555 0.04 . . . . . . . 131 LYS CA . 50964 1 476 . 1 . 1 131 131 LYS N N 15 114.691 0.01 . . . . . . . 131 LYS N . 50964 1 477 . 1 . 1 132 132 ASP H H 1 7.910 0.00 . . . . . . . 132 ASP H . 50964 1 478 . 1 . 1 132 132 ASP C C 13 176.322 0.02 . . . . . . . 132 ASP C . 50964 1 479 . 1 . 1 132 132 ASP CA C 13 55.836 0.01 . . . . . . . 132 ASP CA . 50964 1 480 . 1 . 1 132 132 ASP N N 15 116.052 0.02 . . . . . . . 132 ASP N . 50964 1 481 . 1 . 1 133 133 HIS H H 1 8.620 0.00 . . . . . . . 133 HIS H . 50964 1 482 . 1 . 1 133 133 HIS C C 13 175.712 0.00 . . . . . . . 133 HIS C . 50964 1 483 . 1 . 1 133 133 HIS CA C 13 53.787 0.03 . . . . . . . 133 HIS CA . 50964 1 484 . 1 . 1 133 133 HIS N N 15 122.931 0.03 . . . . . . . 133 HIS N . 50964 1 485 . 1 . 1 134 134 LYS H H 1 8.623 0.00 . . . . . . . 134 LYS H . 50964 1 486 . 1 . 1 134 134 LYS CA C 13 60.202 0.00 . . . . . . . 134 LYS CA . 50964 1 487 . 1 . 1 134 134 LYS N N 15 124.870 0.07 . . . . . . . 134 LYS N . 50964 1 488 . 1 . 1 135 135 SER C C 13 177.465 0.00 . . . . . . . 135 SER C . 50964 1 489 . 1 . 1 135 135 SER CA C 13 61.954 0.00 . . . . . . . 135 SER CA . 50964 1 490 . 1 . 1 136 136 GLN H H 1 7.505 0.00 . . . . . . . 136 GLN H . 50964 1 491 . 1 . 1 136 136 GLN C C 13 177.985 0.00 . . . . . . . 136 GLN C . 50964 1 492 . 1 . 1 136 136 GLN CA C 13 58.179 0.02 . . . . . . . 136 GLN CA . 50964 1 493 . 1 . 1 136 136 GLN N N 15 123.897 0.03 . . . . . . . 136 GLN N . 50964 1 494 . 1 . 1 137 137 TYR H H 1 8.277 0.01 . . . . . . . 137 TYR H . 50964 1 495 . 1 . 1 137 137 TYR C C 13 176.114 0.00 . . . . . . . 137 TYR C . 50964 1 496 . 1 . 1 137 137 TYR CA C 13 62.459 0.04 . . . . . . . 137 TYR CA . 50964 1 497 . 1 . 1 137 137 TYR N N 15 122.014 0.04 . . . . . . . 137 TYR N . 50964 1 498 . 1 . 1 138 138 VAL H H 1 8.449 0.00 . . . . . . . 138 VAL H . 50964 1 499 . 1 . 1 138 138 VAL C C 13 177.445 0.00 . . . . . . . 138 VAL C . 50964 1 500 . 1 . 1 138 138 VAL CA C 13 67.420 0.02 . . . . . . . 138 VAL CA . 50964 1 501 . 1 . 1 138 138 VAL N N 15 117.944 0.01 . . . . . . . 138 VAL N . 50964 1 502 . 1 . 1 139 139 LYS H H 1 7.234 0.01 . . . . . . . 139 LYS H . 50964 1 503 . 1 . 1 139 139 LYS C C 13 179.175 0.00 . . . . . . . 139 LYS C . 50964 1 504 . 1 . 1 139 139 LYS CA C 13 59.837 0.02 . . . . . . . 139 LYS CA . 50964 1 505 . 1 . 1 139 139 LYS N N 15 120.239 0.01 . . . . . . . 139 LYS N . 50964 1 506 . 1 . 1 140 140 ARG H H 1 7.659 0.00 . . . . . . . 140 ARG H . 50964 1 507 . 1 . 1 140 140 ARG C C 13 180.067 0.00 . . . . . . . 140 ARG C . 50964 1 508 . 1 . 1 140 140 ARG CA C 13 56.814 0.04 . . . . . . . 140 ARG CA . 50964 1 509 . 1 . 1 140 140 ARG N N 15 119.495 0.01 . . . . . . . 140 ARG N . 50964 1 510 . 1 . 1 141 141 VAL H H 1 8.277 0.00 . . . . . . . 141 VAL H . 50964 1 511 . 1 . 1 141 141 VAL C C 13 180.187 0.00 . . . . . . . 141 VAL C . 50964 1 512 . 1 . 1 141 141 VAL CA C 13 67.352 0.03 . . . . . . . 141 VAL CA . 50964 1 513 . 1 . 1 141 141 VAL N N 15 121.029 0.03 . . . . . . . 141 VAL N . 50964 1 514 . 1 . 1 142 142 LYS H H 1 8.681 0.00 . . . . . . . 142 LYS H . 50964 1 515 . 1 . 1 142 142 LYS C C 13 178.417 0.01 . . . . . . . 142 LYS C . 50964 1 516 . 1 . 1 142 142 LYS CA C 13 59.699 0.00 . . . . . . . 142 LYS CA . 50964 1 517 . 1 . 1 142 142 LYS N N 15 123.575 0.02 . . . . . . . 142 LYS N . 50964 1 518 . 1 . 1 143 143 GLU H H 1 7.299 0.00 . . . . . . . 143 GLU H . 50964 1 519 . 1 . 1 143 143 GLU C C 13 179.474 0.00 . . . . . . . 143 GLU C . 50964 1 520 . 1 . 1 143 143 GLU CA C 13 59.655 0.01 . . . . . . . 143 GLU CA . 50964 1 521 . 1 . 1 143 143 GLU N N 15 118.768 0.01 . . . . . . . 143 GLU N . 50964 1 522 . 1 . 1 144 144 THR H H 1 7.329 0.01 . . . . . . . 144 THR H . 50964 1 523 . 1 . 1 144 144 THR C C 13 177.237 0.01 . . . . . . . 144 THR C . 50964 1 524 . 1 . 1 144 144 THR CA C 13 64.994 0.00 . . . . . . . 144 THR CA . 50964 1 525 . 1 . 1 144 144 THR N N 15 111.111 0.02 . . . . . . . 144 THR N . 50964 1 526 . 1 . 1 145 145 VAL H H 1 7.882 0.00 . . . . . . . 145 VAL H . 50964 1 527 . 1 . 1 145 145 VAL C C 13 177.743 0.09 . . . . . . . 145 VAL C . 50964 1 528 . 1 . 1 145 145 VAL CA C 13 66.594 0.02 . . . . . . . 145 VAL CA . 50964 1 529 . 1 . 1 145 145 VAL N N 15 127.854 0.02 . . . . . . . 145 VAL N . 50964 1 530 . 1 . 1 146 146 GLU H H 1 7.379 0.01 . . . . . . . 146 GLU H . 50964 1 531 . 1 . 1 146 146 GLU C C 13 179.799 0.00 . . . . . . . 146 GLU C . 50964 1 532 . 1 . 1 146 146 GLU CA C 13 58.449 0.00 . . . . . . . 146 GLU CA . 50964 1 533 . 1 . 1 146 146 GLU N N 15 119.614 0.02 . . . . . . . 146 GLU N . 50964 1 534 . 1 . 1 147 147 LYS H H 1 7.468 0.00 . . . . . . . 147 LYS H . 50964 1 535 . 1 . 1 147 147 LYS C C 13 178.324 0.00 . . . . . . . 147 LYS C . 50964 1 536 . 1 . 1 147 147 LYS CA C 13 58.467 0.02 . . . . . . . 147 LYS CA . 50964 1 537 . 1 . 1 147 147 LYS N N 15 117.994 0.01 . . . . . . . 147 LYS N . 50964 1 538 . 1 . 1 148 148 SER H H 1 7.431 0.00 . . . . . . . 148 SER H . 50964 1 539 . 1 . 1 148 148 SER C C 13 174.740 0.00 . . . . . . . 148 SER C . 50964 1 540 . 1 . 1 148 148 SER CA C 13 61.062 0.01 . . . . . . . 148 SER CA . 50964 1 541 . 1 . 1 148 148 SER N N 15 116.915 0.02 . . . . . . . 148 SER N . 50964 1 542 . 1 . 1 149 149 TRP H H 1 6.755 0.00 . . . . . . . 149 TRP H . 50964 1 543 . 1 . 1 149 149 TRP C C 13 176.600 0.00 . . . . . . . 149 TRP C . 50964 1 544 . 1 . 1 149 149 TRP CA C 13 55.363 0.01 . . . . . . . 149 TRP CA . 50964 1 545 . 1 . 1 149 149 TRP N N 15 123.227 0.02 . . . . . . . 149 TRP N . 50964 1 546 . 1 . 1 150 150 GLU H H 1 7.630 0.00 . . . . . . . 150 GLU H . 50964 1 547 . 1 . 1 150 150 GLU C C 13 181.516 0.00 . . . . . . . 150 GLU C . 50964 1 548 . 1 . 1 150 150 GLU CA C 13 58.604 0.00 . . . . . . . 150 GLU CA . 50964 1 549 . 1 . 1 150 150 GLU N N 15 126.090 0.01 . . . . . . . 150 GLU N . 50964 1 stop_ save_