################################### # 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 50784 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts _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' . . . 50784 1 2 '3D HNCA' . . . 50784 1 3 '3D HN(CO)CA' . . . 50784 1 4 '3D HNCACB' . . . 50784 1 5 '3D CBCA(CO)NH' . . . 50784 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 2 $software_2 . . 50784 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 3 3 MET H H 1 8.755 0.020 . 1 . . . . . 1 MET H . 50784 1 2 . 1 . 1 3 3 MET CA C 13 55.678 0.3 . 1 . . . . . 1 MET CA . 50784 1 3 . 1 . 1 3 3 MET CB C 13 33.902 0.3 . 1 . . . . . 1 MET CB . 50784 1 4 . 1 . 1 3 3 MET N N 15 122.645 0.3 . 1 . . . . . 1 MET N . 50784 1 5 . 1 . 1 4 4 LYS H H 1 8.343 0.020 . 1 . . . . . 2 LYS H . 50784 1 6 . 1 . 1 4 4 LYS CA C 13 55.078 0.3 . 1 . . . . . 2 LYS CA . 50784 1 7 . 1 . 1 4 4 LYS CB C 13 33.242 0.3 . 1 . . . . . 2 LYS CB . 50784 1 8 . 1 . 1 4 4 LYS N N 15 124.344 0.3 . 1 . . . . . 2 LYS N . 50784 1 9 . 1 . 1 5 5 CYS H H 1 8.335 0.020 . 1 . . . . . 3 CYS H . 50784 1 10 . 1 . 1 5 5 CYS CA C 13 57.178 0.3 . 1 . . . . . 3 CYS CA . 50784 1 11 . 1 . 1 5 5 CYS CB C 13 33.482 0.3 . 1 . . . . . 3 CYS CB . 50784 1 12 . 1 . 1 5 5 CYS N N 15 126.800 0.3 . 1 . . . . . 3 CYS N . 50784 1 13 . 1 . 1 7 7 VAL H H 1 9.091 0.020 . 1 . . . . . 5 VAL H . 50784 1 14 . 1 . 1 7 7 VAL CA C 13 65.096 0.3 . 1 . . . . . 5 VAL CA . 50784 1 15 . 1 . 1 7 7 VAL CB C 13 32.762 0.3 . 1 . . . . . 5 VAL CB . 50784 1 16 . 1 . 1 7 7 VAL N N 15 122.977 0.3 . 1 . . . . . 5 VAL N . 50784 1 17 . 1 . 1 8 8 CYS H H 1 8.988 0.020 . 1 . . . . . 6 CYS H . 50784 1 18 . 1 . 1 8 8 CYS CA C 13 58.977 0.3 . 1 . . . . . 6 CYS CA . 50784 1 19 . 1 . 1 8 8 CYS CB C 13 31.022 0.3 . 1 . . . . . 6 CYS CB . 50784 1 20 . 1 . 1 8 8 CYS N N 15 120.265 0.3 . 1 . . . . . 6 CYS N . 50784 1 21 . 1 . 1 9 9 HIS H H 1 7.140 0.020 . 1 . . . . . 7 HIS H . 50784 1 22 . 1 . 1 9 9 HIS CA C 13 58.018 0.3 . 1 . . . . . 7 HIS CA . 50784 1 23 . 1 . 1 9 9 HIS CB C 13 27.303 0.3 . 1 . . . . . 7 HIS CB . 50784 1 24 . 1 . 1 9 9 HIS N N 15 115.368 0.3 . 1 . . . . . 7 HIS N . 50784 1 25 . 1 . 1 10 10 GLN H H 1 8.949 0.020 . 1 . . . . . 8 GLN H . 50784 1 26 . 1 . 1 10 10 GLN CA C 13 56.218 0.3 . 1 . . . . . 8 GLN CA . 50784 1 27 . 1 . 1 10 10 GLN CB C 13 30.842 0.3 . 1 . . . . . 8 GLN CB . 50784 1 28 . 1 . 1 10 10 GLN N N 15 119.654 0.3 . 1 . . . . . 8 GLN N . 50784 1 29 . 1 . 1 11 11 GLY H H 1 7.322 0.020 . 1 . . . . . 9 GLY H . 50784 1 30 . 1 . 1 11 11 GLY CA C 13 45.120 0.3 . 1 . . . . . 9 GLY CA . 50784 1 31 . 1 . 1 11 11 GLY N N 15 106.388 0.3 . 1 . . . . . 9 GLY N . 50784 1 32 . 1 . 1 12 12 GLU H H 1 7.665 0.020 . 1 . . . . . 10 GLU H . 50784 1 33 . 1 . 1 12 12 GLU CA C 13 55.498 0.3 . 1 . . . . . 10 GLU CA . 50784 1 34 . 1 . 1 12 12 GLU CB C 13 31.142 0.3 . 1 . . . . . 10 GLU CB . 50784 1 35 . 1 . 1 12 12 GLU N N 15 119.967 0.3 . 1 . . . . . 10 GLU N . 50784 1 36 . 1 . 1 13 13 MET H H 1 8.226 0.020 . 1 . . . . . 11 MET H . 50784 1 37 . 1 . 1 13 13 MET CA C 13 53.398 0.3 . 1 . . . . . 11 MET CA . 50784 1 38 . 1 . 1 13 13 MET CB C 13 32.762 0.3 . 1 . . . . . 11 MET CB . 50784 1 39 . 1 . 1 13 13 MET N N 15 118.365 0.3 . 1 . . . . . 11 MET N . 50784 1 40 . 1 . 1 14 14 VAL H H 1 8.531 0.020 . 1 . . . . . 12 VAL H . 50784 1 41 . 1 . 1 14 14 VAL CA C 13 60.417 0.3 . 1 . . . . . 12 VAL CA . 50784 1 42 . 1 . 1 14 14 VAL CB C 13 35.281 0.3 . 1 . . . . . 12 VAL CB . 50784 1 43 . 1 . 1 14 14 VAL N N 15 121.479 0.3 . 1 . . . . . 12 VAL N . 50784 1 44 . 1 . 1 15 15 SER H H 1 8.813 0.020 . 1 . . . . . 13 SER H . 50784 1 45 . 1 . 1 15 15 SER CA C 13 58.797 0.3 . 1 . . . . . 13 SER CA . 50784 1 46 . 1 . 1 15 15 SER CB C 13 63.297 0.3 . 1 . . . . . 13 SER CB . 50784 1 47 . 1 . 1 15 15 SER N N 15 123.340 0.3 . 1 . . . . . 13 SER N . 50784 1 48 . 1 . 1 16 16 GLY H H 1 8.826 0.020 . 1 . . . . . 14 GLY H . 50784 1 49 . 1 . 1 16 16 GLY CA C 13 45.480 0.3 . 1 . . . . . 14 GLY CA . 50784 1 50 . 1 . 1 16 16 GLY N N 15 113.183 0.3 . 1 . . . . . 14 GLY N . 50784 1 51 . 1 . 1 17 17 ILE H H 1 8.038 0.020 . 1 . . . . . 15 ILE H . 50784 1 52 . 1 . 1 17 17 ILE CA C 13 60.237 0.3 . 1 . . . . . 15 ILE CA . 50784 1 53 . 1 . 1 17 17 ILE CB C 13 41.160 0.3 . 1 . . . . . 15 ILE CB . 50784 1 54 . 1 . 1 17 17 ILE N N 15 117.750 0.3 . 1 . . . . . 15 ILE N . 50784 1 55 . 1 . 1 18 18 LYS H H 1 7.954 0.020 . 1 . . . . . 16 LYS H . 50784 1 56 . 1 . 1 18 18 LYS CA C 13 55.138 0.3 . 1 . . . . . 16 LYS CA . 50784 1 57 . 1 . 1 18 18 LYS CB C 13 37.021 0.3 . 1 . . . . . 16 LYS CB . 50784 1 58 . 1 . 1 18 18 LYS N N 15 124.422 0.3 . 1 . . . . . 16 LYS N . 50784 1 59 . 1 . 1 19 19 ASP H H 1 8.097 0.020 . 1 . . . . . 17 ASP H . 50784 1 60 . 1 . 1 19 19 ASP CA C 13 52.558 0.3 . 1 . . . . . 17 ASP CA . 50784 1 61 . 1 . 1 19 19 ASP CB C 13 40.081 0.3 . 1 . . . . . 17 ASP CB . 50784 1 62 . 1 . 1 19 19 ASP N N 15 122.892 0.3 . 1 . . . . . 17 ASP N . 50784 1 63 . 1 . 1 20 20 ILE H H 1 8.846 0.020 . 1 . . . . . 18 ILE H . 50784 1 64 . 1 . 1 20 20 ILE CA C 13 57.658 0.3 . 1 . . . . . 18 ILE CA . 50784 1 65 . 1 . 1 20 20 ILE CB C 13 41.100 0.3 . 1 . . . . . 18 ILE CB . 50784 1 66 . 1 . 1 20 20 ILE N N 15 126.171 0.3 . 1 . . . . . 18 ILE N . 50784 1 67 . 1 . 1 22 22 TYR H H 1 8.403 0.020 . 1 . . . . . 20 TYR H . 50784 1 68 . 1 . 1 22 22 TYR CA C 13 58.617 0.3 . 1 . . . . . 20 TYR CA . 50784 1 69 . 1 . 1 22 22 TYR CB C 13 42.780 0.3 . 1 . . . . . 20 TYR CB . 50784 1 70 . 1 . 1 22 22 TYR N N 15 123.720 0.3 . 1 . . . . . 20 TYR N . 50784 1 71 . 1 . 1 23 23 THR H H 1 7.206 0.020 . 1 . . . . . 21 THR H . 50784 1 72 . 1 . 1 23 23 THR CA C 13 60.057 0.3 . 1 . . . . . 21 THR CA . 50784 1 73 . 1 . 1 23 23 THR CB C 13 70.915 0.3 . 1 . . . . . 21 THR CB . 50784 1 74 . 1 . 1 23 23 THR N N 15 120.870 0.3 . 1 . . . . . 21 THR N . 50784 1 75 . 1 . 1 24 24 PHE H H 1 8.883 0.020 . 1 . . . . . 22 PHE H . 50784 1 76 . 1 . 1 24 24 PHE CA C 13 57.418 0.3 . 1 . . . . . 22 PHE CA . 50784 1 77 . 1 . 1 24 24 PHE CB C 13 42.900 0.3 . 1 . . . . . 22 PHE CB . 50784 1 78 . 1 . 1 24 24 PHE N N 15 124.461 0.3 . 1 . . . . . 22 PHE N . 50784 1 79 . 1 . 1 25 25 ARG H H 1 8.883 0.020 . 1 . . . . . 23 ARG H . 50784 1 80 . 1 . 1 25 25 ARG CA C 13 57.358 0.3 . 1 . . . . . 23 ARG CA . 50784 1 81 . 1 . 1 25 25 ARG CB C 13 27.723 0.3 . 1 . . . . . 23 ARG CB . 50784 1 82 . 1 . 1 25 25 ARG N N 15 125.847 0.3 . 1 . . . . . 23 ARG N . 50784 1 83 . 1 . 1 26 26 GLY H H 1 8.306 0.020 . 1 . . . . . 24 GLY H . 50784 1 84 . 1 . 1 26 26 GLY CA C 13 45.240 0.3 . 1 . . . . . 24 GLY CA . 50784 1 85 . 1 . 1 26 26 GLY N N 15 103.291 0.3 . 1 . . . . . 24 GLY N . 50784 1 86 . 1 . 1 27 27 ARG H H 1 8.050 0.020 . 1 . . . . . 25 ARG H . 50784 1 87 . 1 . 1 27 27 ARG CA C 13 54.538 0.3 . 1 . . . . . 25 ARG CA . 50784 1 88 . 1 . 1 27 27 ARG CB C 13 30.902 0.3 . 1 . . . . . 25 ARG CB . 50784 1 89 . 1 . 1 27 27 ARG N N 15 122.381 0.3 . 1 . . . . . 25 ARG N . 50784 1 90 . 1 . 1 28 28 LYS H H 1 8.618 0.020 . 1 . . . . . 26 LYS H . 50784 1 91 . 1 . 1 28 28 LYS CA C 13 55.498 0.3 . 1 . . . . . 26 LYS CA . 50784 1 92 . 1 . 1 28 28 LYS CB C 13 35.341 0.3 . 1 . . . . . 26 LYS CB . 50784 1 93 . 1 . 1 28 28 LYS N N 15 122.613 0.3 . 1 . . . . . 26 LYS N . 50784 1 94 . 1 . 1 29 29 THR H H 1 8.693 0.020 . 1 . . . . . 27 THR H . 50784 1 95 . 1 . 1 29 29 THR CA C 13 58.977 0.3 . 1 . . . . . 27 THR CA . 50784 1 96 . 1 . 1 29 29 THR CB C 13 70.255 0.3 . 1 . . . . . 27 THR CB . 50784 1 97 . 1 . 1 29 29 THR N N 15 117.794 0.3 . 1 . . . . . 27 THR N . 50784 1 98 . 1 . 1 30 30 VAL H H 1 7.697 0.020 . 1 . . . . . 28 VAL H . 50784 1 99 . 1 . 1 30 30 VAL CA C 13 61.677 0.3 . 1 . . . . . 28 VAL CA . 50784 1 100 . 1 . 1 30 30 VAL CB C 13 34.262 0.3 . 1 . . . . . 28 VAL CB . 50784 1 101 . 1 . 1 30 30 VAL N N 15 121.865 0.3 . 1 . . . . . 28 VAL N . 50784 1 102 . 1 . 1 31 31 LEU H H 1 9.065 0.020 . 1 . . . . . 29 LEU H . 50784 1 103 . 1 . 1 31 31 LEU CA C 13 53.338 0.3 . 1 . . . . . 29 LEU CA . 50784 1 104 . 1 . 1 31 31 LEU CB C 13 39.781 0.3 . 1 . . . . . 29 LEU CB . 50784 1 105 . 1 . 1 31 31 LEU N N 15 129.673 0.3 . 1 . . . . . 29 LEU N . 50784 1 106 . 1 . 1 32 32 LYS H H 1 8.323 0.020 . 1 . . . . . 30 LYS H . 50784 1 107 . 1 . 1 32 32 LYS CA C 13 56.098 0.3 . 1 . . . . . 30 LYS CA . 50784 1 108 . 1 . 1 32 32 LYS CB C 13 33.482 0.3 . 1 . . . . . 30 LYS CB . 50784 1 109 . 1 . 1 32 32 LYS N N 15 123.746 0.3 . 1 . . . . . 30 LYS N . 50784 1 110 . 1 . 1 33 33 GLY H H 1 8.742 0.020 . 1 . . . . . 31 GLY H . 50784 1 111 . 1 . 1 33 33 GLY CA C 13 47.939 0.3 . 1 . . . . . 31 GLY CA . 50784 1 112 . 1 . 1 33 33 GLY N N 15 110.316 0.3 . 1 . . . . . 31 GLY N . 50784 1 113 . 1 . 1 34 34 ILE H H 1 8.657 0.020 . 1 . . . . . 32 ILE H . 50784 1 114 . 1 . 1 34 34 ILE CA C 13 58.806 0.3 . 1 . . . . . 32 ILE CA . 50784 1 115 . 1 . 1 34 34 ILE CB C 13 34.742 0.3 . 1 . . . . . 32 ILE CB . 50784 1 116 . 1 . 1 34 34 ILE N N 15 120.262 0.3 . 1 . . . . . 32 ILE N . 50784 1 117 . 1 . 1 35 35 HIS H H 1 8.936 0.020 . 1 . . . . . 33 HIS H . 50784 1 118 . 1 . 1 35 35 HIS CA C 13 56.698 0.3 . 1 . . . . . 33 HIS CA . 50784 1 119 . 1 . 1 35 35 HIS CB C 13 29.882 0.3 . 1 . . . . . 33 HIS CB . 50784 1 120 . 1 . 1 35 35 HIS N N 15 133.158 0.3 . 1 . . . . . 33 HIS N . 50784 1 121 . 1 . 1 36 36 GLY H H 1 7.961 0.020 . 1 . . . . . 34 GLY H . 50784 1 122 . 1 . 1 36 36 GLY CA C 13 45.180 0.3 . 1 . . . . . 34 GLY CA . 50784 1 123 . 1 . 1 36 36 GLY N N 15 107.214 0.3 . 1 . . . . . 34 GLY N . 50784 1 124 . 1 . 1 37 37 LEU H H 1 7.622 0.020 . 1 . . . . . 35 LEU H . 50784 1 125 . 1 . 1 37 37 LEU CA C 13 53.518 0.3 . 1 . . . . . 35 LEU CA . 50784 1 126 . 1 . 1 37 37 LEU CB C 13 43.860 0.3 . 1 . . . . . 35 LEU CB . 50784 1 127 . 1 . 1 37 37 LEU N N 15 118.848 0.3 . 1 . . . . . 35 LEU N . 50784 1 128 . 1 . 1 42 42 CYS H H 1 9.757 0.020 . 1 . . . . . 40 CYS H . 50784 1 129 . 1 . 1 42 42 CYS CA C 13 58.399 0.3 . 1 . . . . . 40 CYS CA . 50784 1 130 . 1 . 1 42 42 CYS CB C 13 31.802 0.3 . 1 . . . . . 40 CYS CB . 50784 1 131 . 1 . 1 42 42 CYS N N 15 125.174 0.3 . 1 . . . . . 40 CYS N . 50784 1 132 . 1 . 1 43 43 GLU H H 1 7.637 0.020 . 1 . . . . . 41 GLU H . 50784 1 133 . 1 . 1 43 43 GLU CA C 13 58.219 0.3 . 1 . . . . . 41 GLU CA . 50784 1 134 . 1 . 1 43 43 GLU CB C 13 28.323 0.3 . 1 . . . . . 41 GLU CB . 50784 1 135 . 1 . 1 43 43 GLU N N 15 115.098 0.3 . 1 . . . . . 41 GLU N . 50784 1 136 . 1 . 1 44 44 GLU H H 1 8.705 0.020 . 1 . . . . . 42 GLU H . 50784 1 137 . 1 . 1 44 44 GLU CA C 13 58.399 0.3 . 1 . . . . . 42 GLU CA . 50784 1 138 . 1 . 1 44 44 GLU CB C 13 30.242 0.3 . 1 . . . . . 42 GLU CB . 50784 1 139 . 1 . 1 44 44 GLU N N 15 124.550 0.3 . 1 . . . . . 42 GLU N . 50784 1 140 . 1 . 1 45 45 SER H H 1 7.965 0.020 . 1 . . . . . 43 SER H . 50784 1 141 . 1 . 1 45 45 SER CA C 13 55.498 0.3 . 1 . . . . . 43 SER CA . 50784 1 142 . 1 . 1 45 45 SER CB C 13 67.856 0.3 . 1 . . . . . 43 SER CB . 50784 1 143 . 1 . 1 45 45 SER N N 15 116.539 0.3 . 1 . . . . . 43 SER N . 50784 1 144 . 1 . 1 46 46 ILE H H 1 8.589 0.020 . 1 . . . . . 44 ILE H . 50784 1 145 . 1 . 1 46 46 ILE CA C 13 61.257 0.3 . 1 . . . . . 44 ILE CA . 50784 1 146 . 1 . 1 46 46 ILE CB C 13 41.700 0.3 . 1 . . . . . 44 ILE CB . 50784 1 147 . 1 . 1 46 46 ILE N N 15 121.864 0.3 . 1 . . . . . 44 ILE N . 50784 1 148 . 1 . 1 47 47 MET H H 1 8.615 0.020 . 1 . . . . . 45 MET H . 50784 1 149 . 1 . 1 47 47 MET CA C 13 54.418 0.3 . 1 . . . . . 45 MET CA . 50784 1 150 . 1 . 1 47 47 MET CB C 13 36.781 0.3 . 1 . . . . . 45 MET CB . 50784 1 151 . 1 . 1 47 47 MET N N 15 127.485 0.3 . 1 . . . . . 45 MET N . 50784 1 152 . 1 . 1 48 48 ASN H H 1 9.247 0.020 . 1 . . . . . 46 ASN H . 50784 1 153 . 1 . 1 48 48 ASN CA C 13 51.299 0.3 . 1 . . . . . 46 ASN CA . 50784 1 154 . 1 . 1 48 48 ASN CB C 13 37.381 0.3 . 1 . . . . . 46 ASN CB . 50784 1 155 . 1 . 1 48 48 ASN N N 15 122.815 0.3 . 1 . . . . . 46 ASN N . 50784 1 156 . 1 . 1 49 49 LYS H H 1 8.273 0.020 . 1 . . . . . 47 LYS H . 50784 1 157 . 1 . 1 49 49 LYS CA C 13 60.477 0.3 . 1 . . . . . 47 LYS CA . 50784 1 158 . 1 . 1 49 49 LYS CB C 13 32.222 0.3 . 1 . . . . . 47 LYS CB . 50784 1 159 . 1 . 1 49 49 LYS N N 15 119.600 0.3 . 1 . . . . . 47 LYS N . 50784 1 160 . 1 . 1 50 50 GLU H H 1 8.103 0.020 . 1 . . . . . 48 GLU H . 50784 1 161 . 1 . 1 50 50 GLU CA C 13 60.225 0.3 . 1 . . . . . 48 GLU CA . 50784 1 162 . 1 . 1 50 50 GLU CB C 13 28.923 0.3 . 1 . . . . . 48 GLU CB . 50784 1 163 . 1 . 1 50 50 GLU N N 15 119.343 0.3 . 1 . . . . . 48 GLU N . 50784 1 164 . 1 . 1 51 51 GLU H H 1 8.777 0.020 . 1 . . . . . 49 GLU H . 50784 1 165 . 1 . 1 51 51 GLU CA C 13 58.497 0.3 . 1 . . . . . 49 GLU CA . 50784 1 166 . 1 . 1 51 51 GLU CB C 13 29.522 0.3 . 1 . . . . . 49 GLU CB . 50784 1 167 . 1 . 1 51 51 GLU N N 15 121.668 0.3 . 1 . . . . . 49 GLU N . 50784 1 168 . 1 . 1 52 52 SER H H 1 9.125 0.020 . 1 . . . . . 50 SER H . 50784 1 169 . 1 . 1 52 52 SER CA C 13 61.677 0.3 . 1 . . . . . 50 SER CA . 50784 1 170 . 1 . 1 52 52 SER CB C 13 62.817 0.3 . 1 . . . . . 50 SER CB . 50784 1 171 . 1 . 1 52 52 SER N N 15 117.997 0.3 . 1 . . . . . 50 SER N . 50784 1 172 . 1 . 1 53 53 ASP H H 1 8.640 0.020 . 1 . . . . . 51 ASP H . 50784 1 173 . 1 . 1 53 53 ASP CA C 13 57.598 0.3 . 1 . . . . . 51 ASP CA . 50784 1 174 . 1 . 1 53 53 ASP CB C 13 39.661 0.3 . 1 . . . . . 51 ASP CB . 50784 1 175 . 1 . 1 53 53 ASP N N 15 122.922 0.3 . 1 . . . . . 51 ASP N . 50784 1 176 . 1 . 1 54 54 ALA H H 1 7.835 0.020 . 1 . . . . . 52 ALA H . 50784 1 177 . 1 . 1 54 54 ALA CA C 13 55.260 0.3 . 1 . . . . . 52 ALA CA . 50784 1 178 . 1 . 1 54 54 ALA CB C 13 17.944 0.3 . 1 . . . . . 52 ALA CB . 50784 1 179 . 1 . 1 54 54 ALA N N 15 123.718 0.3 . 1 . . . . . 52 ALA N . 50784 1 180 . 1 . 1 55 55 PHE H H 1 8.154 0.020 . 1 . . . . . 53 PHE H . 50784 1 181 . 1 . 1 55 55 PHE CA C 13 61.257 0.3 . 1 . . . . . 53 PHE CA . 50784 1 182 . 1 . 1 55 55 PHE CB C 13 39.661 0.3 . 1 . . . . . 53 PHE CB . 50784 1 183 . 1 . 1 55 55 PHE N N 15 120.793 0.3 . 1 . . . . . 53 PHE N . 50784 1 184 . 1 . 1 56 56 MET H H 1 8.924 0.020 . 1 . . . . . 54 MET H . 50784 1 185 . 1 . 1 56 56 MET CA C 13 56.218 0.3 . 1 . . . . . 54 MET CA . 50784 1 186 . 1 . 1 56 56 MET CB C 13 30.542 0.3 . 1 . . . . . 54 MET CB . 50784 1 187 . 1 . 1 56 56 MET N N 15 117.038 0.3 . 1 . . . . . 54 MET N . 50784 1 188 . 1 . 1 57 57 ALA H H 1 8.164 0.020 . 1 . . . . . 55 ALA H . 50784 1 189 . 1 . 1 57 57 ALA CA C 13 55.447 0.3 . 1 . . . . . 55 ALA CA . 50784 1 190 . 1 . 1 57 57 ALA CB C 13 17.644 0.3 . 1 . . . . . 55 ALA CB . 50784 1 191 . 1 . 1 57 57 ALA N N 15 122.164 0.3 . 1 . . . . . 55 ALA N . 50784 1 192 . 1 . 1 58 58 GLN H H 1 7.228 0.020 . 1 . . . . . 56 GLN H . 50784 1 193 . 1 . 1 58 58 GLN CA C 13 59.577 0.3 . 1 . . . . . 56 GLN CA . 50784 1 194 . 1 . 1 58 58 GLN CB C 13 29.282 0.3 . 1 . . . . . 56 GLN CB . 50784 1 195 . 1 . 1 58 58 GLN N N 15 117.632 0.3 . 1 . . . . . 56 GLN N . 50784 1 196 . 1 . 1 59 59 VAL H H 1 7.796 0.020 . 1 . . . . . 57 VAL H . 50784 1 197 . 1 . 1 59 59 VAL CA C 13 67.136 0.3 . 1 . . . . . 57 VAL CA . 50784 1 198 . 1 . 1 59 59 VAL CB C 13 31.682 0.3 . 1 . . . . . 57 VAL CB . 50784 1 199 . 1 . 1 59 59 VAL N N 15 122.853 0.3 . 1 . . . . . 57 VAL N . 50784 1 200 . 1 . 1 60 60 LYS H H 1 8.695 0.020 . 1 . . . . . 58 LYS H . 50784 1 201 . 1 . 1 60 60 LYS CA C 13 60.357 0.3 . 1 . . . . . 58 LYS CA . 50784 1 202 . 1 . 1 60 60 LYS CB C 13 31.982 0.3 . 1 . . . . . 58 LYS CB . 50784 1 203 . 1 . 1 60 60 LYS N N 15 118.648 0.3 . 1 . . . . . 58 LYS N . 50784 1 204 . 1 . 1 61 61 ALA H H 1 7.510 0.020 . 1 . . . . . 59 ALA H . 50784 1 205 . 1 . 1 61 61 ALA CA C 13 54.838 0.3 . 1 . . . . . 59 ALA CA . 50784 1 206 . 1 . 1 61 61 ALA CB C 13 17.824 0.3 . 1 . . . . . 59 ALA CB . 50784 1 207 . 1 . 1 61 61 ALA N N 15 121.253 0.3 . 1 . . . . . 59 ALA N . 50784 1 208 . 1 . 1 62 62 PHE H H 1 7.768 0.020 . 1 . . . . . 60 PHE H . 50784 1 209 . 1 . 1 62 62 PHE CA C 13 60.777 0.3 . 1 . . . . . 60 PHE CA . 50784 1 210 . 1 . 1 62 62 PHE CB C 13 38.521 0.3 . 1 . . . . . 60 PHE CB . 50784 1 211 . 1 . 1 62 62 PHE N N 15 120.182 0.3 . 1 . . . . . 60 PHE N . 50784 1 212 . 1 . 1 63 63 ARG H H 1 8.560 0.020 . 1 . . . . . 61 ARG H . 50784 1 213 . 1 . 1 63 63 ARG CA C 13 60.020 0.3 . 1 . . . . . 61 ARG CA . 50784 1 214 . 1 . 1 63 63 ARG CB C 13 30.362 0.3 . 1 . . . . . 61 ARG CB . 50784 1 215 . 1 . 1 63 63 ARG N N 15 118.388 0.3 . 1 . . . . . 61 ARG N . 50784 1 216 . 1 . 1 64 64 ALA H H 1 7.792 0.020 . 1 . . . . . 62 ALA H . 50784 1 217 . 1 . 1 64 64 ALA CA C 13 54.838 0.3 . 1 . . . . . 62 ALA CA . 50784 1 218 . 1 . 1 64 64 ALA CB C 13 17.644 0.3 . 1 . . . . . 62 ALA CB . 50784 1 219 . 1 . 1 64 64 ALA N N 15 118.498 0.3 . 1 . . . . . 62 ALA N . 50784 1 220 . 1 . 1 65 65 SER H H 1 7.625 0.020 . 1 . . . . . 63 SER H . 50784 1 221 . 1 . 1 65 65 SER CA C 13 61.437 0.3 . 1 . . . . . 63 SER CA . 50784 1 222 . 1 . 1 65 65 SER CB C 13 62.877 0.3 . 1 . . . . . 63 SER CB . 50784 1 223 . 1 . 1 65 65 SER N N 15 115.352 0.3 . 1 . . . . . 63 SER N . 50784 1 224 . 1 . 1 66 66 VAL H H 1 7.722 0.020 . 1 . . . . . 64 VAL H . 50784 1 225 . 1 . 1 66 66 VAL CA C 13 65.696 0.3 . 1 . . . . . 64 VAL CA . 50784 1 226 . 1 . 1 66 66 VAL CB C 13 31.802 0.3 . 1 . . . . . 64 VAL CB . 50784 1 227 . 1 . 1 66 66 VAL N N 15 122.862 0.3 . 1 . . . . . 64 VAL N . 50784 1 228 . 1 . 1 67 67 ASN H H 1 8.402 0.020 . 1 . . . . . 65 ASN H . 50784 1 229 . 1 . 1 67 67 ASN CA C 13 54.898 0.3 . 1 . . . . . 65 ASN CA . 50784 1 230 . 1 . 1 67 67 ASN CB C 13 38.101 0.3 . 1 . . . . . 65 ASN CB . 50784 1 231 . 1 . 1 67 67 ASN N N 15 118.793 0.3 . 1 . . . . . 65 ASN N . 50784 1 232 . 1 . 1 68 68 ALA H H 1 7.639 0.020 . 1 . . . . . 66 ALA H . 50784 1 233 . 1 . 1 68 68 ALA CA C 13 53.218 0.3 . 1 . . . . . 66 ALA CA . 50784 1 234 . 1 . 1 68 68 ALA CB C 13 18.604 0.3 . 1 . . . . . 66 ALA CB . 50784 1 235 . 1 . 1 68 68 ALA N N 15 120.961 0.3 . 1 . . . . . 66 ALA N . 50784 1 236 . 1 . 1 69 69 GLU H H 1 7.630 0.020 . 1 . . . . . 67 GLU H . 50784 1 237 . 1 . 1 69 69 GLU CA C 13 57.267 0.3 . 1 . . . . . 67 GLU CA . 50784 1 238 . 1 . 1 69 69 GLU CB C 13 30.182 0.3 . 1 . . . . . 67 GLU CB . 50784 1 239 . 1 . 1 69 69 GLU N N 15 117.638 0.3 . 1 . . . . . 67 GLU N . 50784 1 240 . 1 . 1 70 70 THR H H 1 7.881 0.020 . 1 . . . . . 68 THR H . 50784 1 241 . 1 . 1 70 70 THR CA C 13 62.037 0.3 . 1 . . . . . 68 THR CA . 50784 1 242 . 1 . 1 70 70 THR CB C 13 69.896 0.3 . 1 . . . . . 68 THR CB . 50784 1 243 . 1 . 1 70 70 THR N N 15 113.942 0.3 . 1 . . . . . 68 THR N . 50784 1 244 . 1 . 1 71 71 VAL H H 1 7.922 0.020 . 1 . . . . . 69 VAL H . 50784 1 245 . 1 . 1 71 71 VAL CA C 13 61.977 0.3 . 1 . . . . . 69 VAL CA . 50784 1 246 . 1 . 1 71 71 VAL CB C 13 32.702 0.3 . 1 . . . . . 69 VAL CB . 50784 1 247 . 1 . 1 71 71 VAL N N 15 122.585 0.3 . 1 . . . . . 69 VAL N . 50784 1 248 . 1 . 1 72 72 ALA H H 1 8.283 0.020 . 1 . . . . . 70 ALA H . 50784 1 249 . 1 . 1 72 72 ALA CA C 13 50.579 0.3 . 1 . . . . . 70 ALA CA . 50784 1 250 . 1 . 1 72 72 ALA CB C 13 18.004 0.3 . 1 . . . . . 70 ALA CB . 50784 1 251 . 1 . 1 72 72 ALA N N 15 129.248 0.3 . 1 . . . . . 70 ALA N . 50784 1 252 . 1 . 1 74 74 GLU H H 1 8.473 0.020 . 1 . . . . . 72 GLU H . 50784 1 253 . 1 . 1 74 74 GLU CA C 13 57.178 0.3 . 1 . . . . . 72 GLU CA . 50784 1 254 . 1 . 1 74 74 GLU CB C 13 29.882 0.3 . 1 . . . . . 72 GLU CB . 50784 1 255 . 1 . 1 74 74 GLU N N 15 119.735 0.3 . 1 . . . . . 72 GLU N . 50784 1 256 . 1 . 1 75 75 PHE H H 1 8.031 0.020 . 1 . . . . . 73 PHE H . 50784 1 257 . 1 . 1 75 75 PHE CA C 13 57.267 0.3 . 1 . . . . . 73 PHE CA . 50784 1 258 . 1 . 1 75 75 PHE CB C 13 39.601 0.3 . 1 . . . . . 73 PHE CB . 50784 1 259 . 1 . 1 75 75 PHE N N 15 120.381 0.3 . 1 . . . . . 73 PHE N . 50784 1 260 . 1 . 1 76 76 ILE H H 1 7.815 0.020 . 1 . . . . . 74 ILE H . 50784 1 261 . 1 . 1 76 76 ILE CA C 13 60.791 0.3 . 1 . . . . . 74 ILE CA . 50784 1 262 . 1 . 1 76 76 ILE CB C 13 38.701 0.3 . 1 . . . . . 74 ILE CB . 50784 1 263 . 1 . 1 76 76 ILE N N 15 123.439 0.3 . 1 . . . . . 74 ILE N . 50784 1 264 . 1 . 1 77 77 VAL H H 1 8.143 0.020 . 1 . . . . . 75 VAL H . 50784 1 265 . 1 . 1 77 77 VAL CA C 13 62.747 0.3 . 1 . . . . . 75 VAL CA . 50784 1 266 . 1 . 1 77 77 VAL CB C 13 32.522 0.3 . 1 . . . . . 75 VAL CB . 50784 1 267 . 1 . 1 77 77 VAL N N 15 126.294 0.3 . 1 . . . . . 75 VAL N . 50784 1 268 . 1 . 1 78 78 LYS H H 1 7.880 0.020 . 1 . . . . . 76 LYS H . 50784 1 269 . 1 . 1 78 78 LYS CA C 13 57.598 0.3 . 1 . . . . . 76 LYS CA . 50784 1 270 . 1 . 1 78 78 LYS CB C 13 33.842 0.3 . 1 . . . . . 76 LYS CB . 50784 1 271 . 1 . 1 78 78 LYS N N 15 131.165 0.3 . 1 . . . . . 76 LYS N . 50784 1 stop_ save_