################################### # 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 18310 _Assigned_chem_shift_list.ID 1 _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' . . . 18310 1 2 '3D HNCA' . . . 18310 1 3 '3D HNCACB' . . . 18310 1 4 '3D HN(CO)CA' . . . 18310 1 5 '3D HN(COCA)CB' . . . 18310 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 12 12 SER C C 13 174.76 0.1 . 1 . . . . -8 SER C . 18310 1 2 . 1 1 12 12 SER CA C 13 58.38 0.1 . 1 . . . . -8 SER CA . 18310 1 3 . 1 1 13 13 GLU H H 1 8.239 0.02 . 1 . . . . -7 GLU H . 18310 1 4 . 1 1 13 13 GLU C C 13 176.22 0.1 . 1 . . . . -7 GLU C . 18310 1 5 . 1 1 13 13 GLU CA C 13 56.60 0.1 . 1 . . . . -7 GLU CA . 18310 1 6 . 1 1 13 13 GLU CB C 13 29.29 0.1 . 1 . . . . -7 GLU CB . 18310 1 7 . 1 1 13 13 GLU N N 15 122.67 0.1 . 1 . . . . -7 GLU N . 18310 1 8 . 1 1 14 14 ASN H H 1 8.165 0.02 . 1 . . . . -6 ASN H . 18310 1 9 . 1 1 14 14 ASN C C 13 175.01 0.1 . 1 . . . . -6 ASN C . 18310 1 10 . 1 1 14 14 ASN CA C 13 53.13 0.1 . 1 . . . . -6 ASN CA . 18310 1 11 . 1 1 14 14 ASN CB C 13 38.23 0.1 . 1 . . . . -6 ASN CB . 18310 1 12 . 1 1 14 14 ASN N N 15 119.22 0.1 . 1 . . . . -6 ASN N . 18310 1 13 . 1 1 15 15 LEU H H 1 7.872 0.02 . 1 . . . . -5 LEU H . 18310 1 14 . 1 1 15 15 LEU C C 13 176.93 0.1 . 1 . . . . -5 LEU C . 18310 1 15 . 1 1 15 15 LEU CA C 13 55.17 0.1 . 1 . . . . -5 LEU CA . 18310 1 16 . 1 1 15 15 LEU CB C 13 41.23 0.1 . 1 . . . . -5 LEU CB . 18310 1 17 . 1 1 15 15 LEU N N 15 122.34 0.1 . 1 . . . . -5 LEU N . 18310 1 18 . 1 1 16 16 TYR H H 1 7.804 0.02 . 1 . . . . -4 TYR H . 18310 1 19 . 1 1 16 16 TYR C C 13 175.58 0.1 . 1 . . . . -4 TYR C . 18310 1 20 . 1 1 16 16 TYR CA C 13 57.60 0.1 . 1 . . . . -4 TYR CA . 18310 1 21 . 1 1 16 16 TYR CB C 13 37.80 0.1 . 1 . . . . -4 TYR CB . 18310 1 22 . 1 1 16 16 TYR N N 15 119.75 0.1 . 1 . . . . -4 TYR N . 18310 1 23 . 1 1 17 17 PHE H H 1 7.841 0.02 . 1 . . . . -3 PHE H . 18310 1 24 . 1 1 17 17 PHE C C 13 175.43 0.1 . 1 . . . . -3 PHE C . 18310 1 25 . 1 1 17 17 PHE CA C 13 57.39 0.1 . 1 . . . . -3 PHE CA . 18310 1 26 . 1 1 17 17 PHE CB C 13 38.61 0.1 . 1 . . . . -3 PHE CB . 18310 1 27 . 1 1 17 17 PHE N N 15 121.39 0.1 . 1 . . . . -3 PHE N . 18310 1 28 . 1 1 18 18 GLN H H 1 8.072 0.02 . 1 . . . . -2 GLN H . 18310 1 29 . 1 1 18 18 GLN CA C 13 55.64 0.1 . 1 . . . . -2 GLN CA . 18310 1 30 . 1 1 18 18 GLN CB C 13 28.41 0.1 . 1 . . . . -2 GLN CB . 18310 1 31 . 1 1 18 18 GLN N N 15 122.12 0.1 . 1 . . . . -2 GLN N . 18310 1 32 . 1 1 22 22 PRO C C 13 176.78 0.1 . 1 . . . . 2 PRO C . 18310 1 33 . 1 1 22 22 PRO CA C 13 62.81 0.1 . 1 . . . . 2 PRO CA . 18310 1 34 . 1 1 22 22 PRO CB C 13 31.17 0.1 . 1 . . . . 2 PRO CB . 18310 1 35 . 1 1 23 23 GLU H H 1 8.357 0.02 . 1 . . . . 3 GLU H . 18310 1 36 . 1 1 23 23 GLU C C 13 176.34 0.1 . 1 . . . . 3 GLU C . 18310 1 37 . 1 1 23 23 GLU CA C 13 56.40 0.1 . 1 . . . . 3 GLU CA . 18310 1 38 . 1 1 23 23 GLU CB C 13 29.58 0.1 . 1 . . . . 3 GLU CB . 18310 1 39 . 1 1 23 23 GLU N N 15 121.73 0.1 . 1 . . . . 3 GLU N . 18310 1 40 . 1 1 24 24 LYS H H 1 8.075 0.02 . 1 . . . . 4 LYS H . 18310 1 41 . 1 1 24 24 LYS C C 13 175.94 0.1 . 1 . . . . 4 LYS C . 18310 1 42 . 1 1 24 24 LYS CA C 13 55.45 0.1 . 1 . . . . 4 LYS CA . 18310 1 43 . 1 1 24 24 LYS CB C 13 32.10 0.1 . 1 . . . . 4 LYS CB . 18310 1 44 . 1 1 24 24 LYS N N 15 122.82 0.1 . 1 . . . . 4 LYS N . 18310 1 45 . 1 1 25 25 LYS H H 1 8.173 0.02 . 1 . . . . 5 LYS H . 18310 1 46 . 1 1 25 25 LYS C C 13 175.95 0.1 . 1 . . . . 5 LYS C . 18310 1 47 . 1 1 25 25 LYS CA C 13 55.64 0.1 . 1 . . . . 5 LYS CA . 18310 1 48 . 1 1 25 25 LYS CB C 13 32.04 0.1 . 1 . . . . 5 LYS CB . 18310 1 49 . 1 1 25 25 LYS N N 15 124.62 0.1 . 1 . . . . 5 LYS N . 18310 1 50 . 1 1 26 26 ILE H H 1 8.050 0.02 . 1 . . . . 6 ILE H . 18310 1 51 . 1 1 26 26 ILE C C 13 175.20 0.1 . 1 . . . . 6 ILE C . 18310 1 52 . 1 1 26 26 ILE CA C 13 60.40 0.1 . 1 . . . . 6 ILE CA . 18310 1 53 . 1 1 26 26 ILE CB C 13 38.34 0.1 . 1 . . . . 6 ILE CB . 18310 1 54 . 1 1 26 26 ILE N N 15 124.29 0.1 . 1 . . . . 6 ILE N . 18310 1 55 . 1 1 27 27 ASP H H 1 8.228 0.02 . 1 . . . . 7 ASP H . 18310 1 56 . 1 1 27 27 ASP C C 13 176.95 0.1 . 1 . . . . 7 ASP C . 18310 1 57 . 1 1 27 27 ASP CA C 13 53.88 0.1 . 1 . . . . 7 ASP CA . 18310 1 58 . 1 1 27 27 ASP CB C 13 41.78 0.1 . 1 . . . . 7 ASP CB . 18310 1 59 . 1 1 27 27 ASP N N 15 126.82 0.1 . 1 . . . . 7 ASP N . 18310 1 60 . 1 1 28 28 GLY H H 1 8.593 0.02 . 1 . . . . 8 GLY H . 18310 1 61 . 1 1 28 28 GLY C C 13 175.41 0.1 . 1 . . . . 8 GLY C . 18310 1 62 . 1 1 28 28 GLY CA C 13 47.51 0.1 . 1 . . . . 8 GLY CA . 18310 1 63 . 1 1 28 28 GLY N N 15 111.52 0.1 . 1 . . . . 8 GLY N . 18310 1 64 . 1 1 29 29 ARG H H 1 7.752 0.02 . 1 . . . . 9 ARG H . 18310 1 65 . 1 1 29 29 ARG C C 13 177.50 0.1 . 1 . . . . 9 ARG C . 18310 1 66 . 1 1 29 29 ARG CA C 13 59.52 0.1 . 1 . . . . 9 ARG CA . 18310 1 67 . 1 1 29 29 ARG CB C 13 28.78 0.1 . 1 . . . . 9 ARG CB . 18310 1 68 . 1 1 29 29 ARG N N 15 119.11 0.1 . 1 . . . . 9 ARG N . 18310 1 69 . 1 1 30 30 ARG H H 1 7.109 0.02 . 1 . . . . 10 ARG H . 18310 1 70 . 1 1 30 30 ARG C C 13 177.98 0.1 . 1 . . . . 10 ARG C . 18310 1 71 . 1 1 30 30 ARG CA C 13 58.34 0.1 . 1 . . . . 10 ARG CA . 18310 1 72 . 1 1 30 30 ARG CB C 13 28.25 0.1 . 1 . . . . 10 ARG CB . 18310 1 73 . 1 1 30 30 ARG N N 15 119.29 0.1 . 1 . . . . 10 ARG N . 18310 1 74 . 1 1 31 31 LYS H H 1 7.795 0.02 . 1 . . . . 11 LYS H . 18310 1 75 . 1 1 31 31 LYS C C 13 177.31 0.1 . 1 . . . . 11 LYS C . 18310 1 76 . 1 1 31 31 LYS CA C 13 60.10 0.1 . 1 . . . . 11 LYS CA . 18310 1 77 . 1 1 31 31 LYS CB C 13 30.11 0.1 . 1 . . . . 11 LYS CB . 18310 1 78 . 1 1 31 31 LYS N N 15 118.59 0.1 . 1 . . . . 11 LYS N . 18310 1 79 . 1 1 32 32 ALA H H 1 7.621 0.02 . 1 . . . . 12 ALA H . 18310 1 80 . 1 1 32 32 ALA C C 13 178.16 0.1 . 1 . . . . 12 ALA C . 18310 1 81 . 1 1 32 32 ALA CA C 13 55.01 0.1 . 1 . . . . 12 ALA CA . 18310 1 82 . 1 1 32 32 ALA CB C 13 18.73 0.1 . 1 . . . . 12 ALA CB . 18310 1 83 . 1 1 32 32 ALA N N 15 118.14 0.1 . 1 . . . . 12 ALA N . 18310 1 84 . 1 1 33 33 ALA H H 1 7.677 0.02 . 1 . . . . 13 ALA H . 18310 1 85 . 1 1 33 33 ALA C C 13 178.50 0.1 . 1 . . . . 13 ALA C . 18310 1 86 . 1 1 33 33 ALA CA C 13 55.12 0.1 . 1 . . . . 13 ALA CA . 18310 1 87 . 1 1 33 33 ALA CB C 13 18.05 0.1 . 1 . . . . 13 ALA CB . 18310 1 88 . 1 1 33 33 ALA N N 15 119.21 0.1 . 1 . . . . 13 ALA N . 18310 1 89 . 1 1 34 34 VAL H H 1 8.737 0.02 . 1 . . . . 14 VAL H . 18310 1 90 . 1 1 34 34 VAL C C 13 177.94 0.1 . 1 . . . . 14 VAL C . 18310 1 91 . 1 1 34 34 VAL CA C 13 66.54 0.1 . 1 . . . . 14 VAL CA . 18310 1 92 . 1 1 34 34 VAL CB C 13 30.63 0.1 . 1 . . . . 14 VAL CB . 18310 1 93 . 1 1 34 34 VAL N N 15 118.68 0.1 . 1 . . . . 14 VAL N . 18310 1 94 . 1 1 35 35 LEU H H 1 8.133 0.02 . 1 . . . . 15 LEU H . 18310 1 95 . 1 1 35 35 LEU C C 13 178.21 0.1 . 1 . . . . 15 LEU C . 18310 1 96 . 1 1 35 35 LEU CA C 13 57.44 0.1 . 1 . . . . 15 LEU CA . 18310 1 97 . 1 1 35 35 LEU CB C 13 41.12 0.1 . 1 . . . . 15 LEU CB . 18310 1 98 . 1 1 35 35 LEU N N 15 121.01 0.1 . 1 . . . . 15 LEU N . 18310 1 99 . 1 1 36 36 LEU H H 1 7.825 0.02 . 1 . . . . 16 LEU H . 18310 1 100 . 1 1 36 36 LEU C C 13 180.45 0.1 . 1 . . . . 16 LEU C . 18310 1 101 . 1 1 36 36 LEU CA C 13 57.71 0.1 . 1 . . . . 16 LEU CA . 18310 1 102 . 1 1 36 36 LEU CB C 13 39.47 0.1 . 1 . . . . 16 LEU CB . 18310 1 103 . 1 1 36 36 LEU N N 15 117.33 0.1 . 1 . . . . 16 LEU N . 18310 1 104 . 1 1 37 37 VAL H H 1 8.550 0.02 . 1 . . . . 17 VAL H . 18310 1 105 . 1 1 37 37 VAL C C 13 178.96 0.1 . 1 . . . . 17 VAL C . 18310 1 106 . 1 1 37 37 VAL CA C 13 65.82 0.1 . 1 . . . . 17 VAL CA . 18310 1 107 . 1 1 37 37 VAL CB C 13 30.61 0.1 . 1 . . . . 17 VAL CB . 18310 1 108 . 1 1 37 37 VAL N N 15 122.73 0.1 . 1 . . . . 17 VAL N . 18310 1 109 . 1 1 38 38 ALA H H 1 8.207 0.02 . 1 . . . . 18 ALA H . 18310 1 110 . 1 1 38 38 ALA C C 13 179.26 0.1 . 1 . . . . 18 ALA C . 18310 1 111 . 1 1 38 38 ALA CA C 13 54.08 0.1 . 1 . . . . 18 ALA CA . 18310 1 112 . 1 1 38 38 ALA CB C 13 16.08 0.1 . 1 . . . . 18 ALA CB . 18310 1 113 . 1 1 38 38 ALA N N 15 124.10 0.1 . 1 . . . . 18 ALA N . 18310 1 114 . 1 1 39 39 LEU H H 1 7.442 0.02 . 1 . . . . 19 LEU H . 18310 1 115 . 1 1 39 39 LEU C C 13 177.95 0.1 . 1 . . . . 19 LEU C . 18310 1 116 . 1 1 39 39 LEU CA C 13 56.22 0.1 . 1 . . . . 19 LEU CA . 18310 1 117 . 1 1 39 39 LEU CB C 13 42.14 0.1 . 1 . . . . 19 LEU CB . 18310 1 118 . 1 1 39 39 LEU N N 15 116.74 0.1 . 1 . . . . 19 LEU N . 18310 1 119 . 1 1 40 40 GLY H H 1 7.123 0.02 . 1 . . . . 20 GLY H . 18310 1 120 . 1 1 40 40 GLY CA C 13 43.46 0.1 . 1 . . . . 20 GLY CA . 18310 1 121 . 1 1 40 40 GLY N N 15 108.01 0.1 . 1 . . . . 20 GLY N . 18310 1 122 . 1 1 41 41 PRO C C 13 179.84 0.1 . 1 . . . . 21 PRO C . 18310 1 123 . 1 1 41 41 PRO CA C 13 65.68 0.1 . 1 . . . . 21 PRO CA . 18310 1 124 . 1 1 41 41 PRO CB C 13 31.16 0.1 . 1 . . . . 21 PRO CB . 18310 1 125 . 1 1 42 42 GLU H H 1 8.192 0.02 . 1 . . . . 22 GLU H . 18310 1 126 . 1 1 42 42 GLU C C 13 179.61 0.1 . 1 . . . . 22 GLU C . 18310 1 127 . 1 1 42 42 GLU CA C 13 59.55 0.1 . 1 . . . . 22 GLU CA . 18310 1 128 . 1 1 42 42 GLU CB C 13 28.34 0.1 . 1 . . . . 22 GLU CB . 18310 1 129 . 1 1 42 42 GLU N N 15 120.04 0.1 . 1 . . . . 22 GLU N . 18310 1 130 . 1 1 43 43 LYS H H 1 8.299 0.02 . 1 . . . . 23 LYS H . 18310 1 131 . 1 1 43 43 LYS C C 13 179.49 0.1 . 1 . . . . 23 LYS C . 18310 1 132 . 1 1 43 43 LYS CA C 13 59.06 0.1 . 1 . . . . 23 LYS CA . 18310 1 133 . 1 1 43 43 LYS CB C 13 32.22 0.1 . 1 . . . . 23 LYS CB . 18310 1 134 . 1 1 43 43 LYS N N 15 120.71 0.1 . 1 . . . . 23 LYS N . 18310 1 135 . 1 1 44 44 ALA H H 1 8.879 0.02 . 1 . . . . 24 ALA H . 18310 1 136 . 1 1 44 44 ALA C C 13 179.82 0.1 . 1 . . . . 24 ALA C . 18310 1 137 . 1 1 44 44 ALA CA C 13 55.30 0.1 . 1 . . . . 24 ALA CA . 18310 1 138 . 1 1 44 44 ALA CB C 13 17.70 0.1 . 1 . . . . 24 ALA CB . 18310 1 139 . 1 1 44 44 ALA N N 15 121.44 0.1 . 1 . . . . 24 ALA N . 18310 1 140 . 1 1 45 45 ALA H H 1 7.643 0.02 . 1 . . . . 25 ALA H . 18310 1 141 . 1 1 45 45 ALA C C 13 180.46 0.1 . 1 . . . . 25 ALA C . 18310 1 142 . 1 1 45 45 ALA CA C 13 54.92 0.1 . 1 . . . . 25 ALA CA . 18310 1 143 . 1 1 45 45 ALA CB C 13 17.10 0.1 . 1 . . . . 25 ALA CB . 18310 1 144 . 1 1 45 45 ALA N N 15 119.08 0.1 . 1 . . . . 25 ALA N . 18310 1 145 . 1 1 46 46 GLN H H 1 7.242 0.02 . 1 . . . . 26 GLN H . 18310 1 146 . 1 1 46 46 GLN C C 13 178.67 0.1 . 1 . . . . 26 GLN C . 18310 1 147 . 1 1 46 46 GLN CA C 13 57.92 0.1 . 1 . . . . 26 GLN CA . 18310 1 148 . 1 1 46 46 GLN CB C 13 27.80 0.1 . 1 . . . . 26 GLN CB . 18310 1 149 . 1 1 46 46 GLN N N 15 116.12 0.1 . 1 . . . . 26 GLN N . 18310 1 150 . 1 1 47 47 VAL H H 1 7.698 0.02 . 1 . . . . 27 VAL H . 18310 1 151 . 1 1 47 47 VAL C C 13 178.07 0.1 . 1 . . . . 27 VAL C . 18310 1 152 . 1 1 47 47 VAL CA C 13 66.40 0.1 . 1 . . . . 27 VAL CA . 18310 1 153 . 1 1 47 47 VAL CB C 13 30.96 0.1 . 1 . . . . 27 VAL CB . 18310 1 154 . 1 1 47 47 VAL N N 15 119.44 0.1 . 1 . . . . 27 VAL N . 18310 1 155 . 1 1 48 48 MET H H 1 8.337 0.02 . 1 . . . . 28 MET H . 18310 1 156 . 1 1 48 48 MET C C 13 176.69 0.1 . 1 . . . . 28 MET C . 18310 1 157 . 1 1 48 48 MET CA C 13 59.18 0.1 . 1 . . . . 28 MET CA . 18310 1 158 . 1 1 48 48 MET CB C 13 32.51 0.1 . 1 . . . . 28 MET CB . 18310 1 159 . 1 1 48 48 MET N N 15 116.41 0.1 . 1 . . . . 28 MET N . 18310 1 160 . 1 1 49 49 LYS H H 1 7.003 0.02 . 1 . . . . 29 LYS H . 18310 1 161 . 1 1 49 49 LYS CA C 13 57.69 0.1 . 1 . . . . 29 LYS CA . 18310 1 162 . 1 1 49 49 LYS CB C 13 31.06 0.1 . 1 . . . . 29 LYS CB . 18310 1 163 . 1 1 49 49 LYS N N 15 117.20 0.1 . 1 . . . . 29 LYS N . 18310 1 164 . 1 1 50 50 HIS H H 1 7.390 0.02 . 1 . . . . 30 HIS H . 18310 1 165 . 1 1 50 50 HIS C C 13 174.27 0.1 . 1 . . . . 30 HIS C . 18310 1 166 . 1 1 50 50 HIS CA C 13 56.13 0.1 . 1 . . . . 30 HIS CA . 18310 1 167 . 1 1 50 50 HIS CB C 13 29.71 0.1 . 1 . . . . 30 HIS CB . 18310 1 168 . 1 1 50 50 HIS N N 15 116.13 0.1 . 1 . . . . 30 HIS N . 18310 1 169 . 1 1 51 51 LEU H H 1 7.327 0.02 . 1 . . . . 31 LEU H . 18310 1 170 . 1 1 51 51 LEU C C 13 175.11 0.1 . 1 . . . . 31 LEU C . 18310 1 171 . 1 1 51 51 LEU CA C 13 52.56 0.1 . 1 . . . . 31 LEU CA . 18310 1 172 . 1 1 51 51 LEU CB C 13 43.83 0.1 . 1 . . . . 31 LEU CB . 18310 1 173 . 1 1 51 51 LEU N N 15 120.51 0.1 . 1 . . . . 31 LEU N . 18310 1 174 . 1 1 52 52 ASP H H 1 8.045 0.02 . 1 . . . . 32 ASP H . 18310 1 175 . 1 1 52 52 ASP C C 13 176.10 0.1 . 1 . . . . 32 ASP C . 18310 1 176 . 1 1 52 52 ASP CA C 13 53.05 0.1 . 1 . . . . 32 ASP CA . 18310 1 177 . 1 1 52 52 ASP CB C 13 41.15 0.1 . 1 . . . . 32 ASP CB . 18310 1 178 . 1 1 52 52 ASP N N 15 118.87 0.1 . 1 . . . . 32 ASP N . 18310 1 179 . 1 1 53 53 GLU H H 1 8.661 0.02 . 1 . . . . 33 GLU H . 18310 1 180 . 1 1 53 53 GLU C C 13 178.49 0.1 . 1 . . . . 33 GLU C . 18310 1 181 . 1 1 53 53 GLU CA C 13 59.90 0.1 . 1 . . . . 33 GLU CA . 18310 1 182 . 1 1 53 53 GLU CB C 13 28.98 0.1 . 1 . . . . 33 GLU CB . 18310 1 183 . 1 1 53 53 GLU N N 15 120.85 0.1 . 1 . . . . 33 GLU N . 18310 1 184 . 1 1 54 54 GLU H H 1 8.451 0.02 . 1 . . . . 34 GLU H . 18310 1 185 . 1 1 54 54 GLU C C 13 179.22 0.1 . 1 . . . . 34 GLU C . 18310 1 186 . 1 1 54 54 GLU CA C 13 59.30 0.1 . 1 . . . . 34 GLU CA . 18310 1 187 . 1 1 54 54 GLU CB C 13 28.52 0.1 . 1 . . . . 34 GLU CB . 18310 1 188 . 1 1 54 54 GLU N N 15 119.70 0.1 . 1 . . . . 34 GLU N . 18310 1 189 . 1 1 55 55 THR H H 1 7.751 0.02 . 1 . . . . 35 THR H . 18310 1 190 . 1 1 55 55 THR C C 13 176.22 0.1 . 1 . . . . 35 THR C . 18310 1 191 . 1 1 55 55 THR CA C 13 66.21 0.1 . 1 . . . . 35 THR CA . 18310 1 192 . 1 1 55 55 THR CB C 13 66.75 0.1 . 1 . . . . 35 THR CB . 18310 1 193 . 1 1 55 55 THR N N 15 119.44 0.1 . 1 . . . . 35 THR N . 18310 1 194 . 1 1 56 56 VAL H H 1 8.056 0.02 . 1 . . . . 36 VAL H . 18310 1 195 . 1 1 56 56 VAL C C 13 177.01 0.1 . 1 . . . . 36 VAL C . 18310 1 196 . 1 1 56 56 VAL CA C 13 67.68 0.1 . 1 . . . . 36 VAL CA . 18310 1 197 . 1 1 56 56 VAL CB C 13 30.91 0.1 . 1 . . . . 36 VAL CB . 18310 1 198 . 1 1 56 56 VAL N N 15 121.93 0.1 . 1 . . . . 36 VAL N . 18310 1 199 . 1 1 57 57 GLU H H 1 7.951 0.02 . 1 . . . . 37 GLU H . 18310 1 200 . 1 1 57 57 GLU C C 13 179.46 0.1 . 1 . . . . 37 GLU C . 18310 1 201 . 1 1 57 57 GLU CA C 13 59.21 0.1 . 1 . . . . 37 GLU CA . 18310 1 202 . 1 1 57 57 GLU CB C 13 28.53 0.1 . 1 . . . . 37 GLU CB . 18310 1 203 . 1 1 57 57 GLU N N 15 117.46 0.1 . 1 . . . . 37 GLU N . 18310 1 204 . 1 1 58 58 GLN H H 1 7.268 0.02 . 1 . . . . 38 GLN H . 18310 1 205 . 1 1 58 58 GLN C C 13 179.21 0.1 . 1 . . . . 38 GLN C . 18310 1 206 . 1 1 58 58 GLN CA C 13 57.99 0.1 . 1 . . . . 38 GLN CA . 18310 1 207 . 1 1 58 58 GLN CB C 13 28.90 0.1 . 1 . . . . 38 GLN CB . 18310 1 208 . 1 1 58 58 GLN N N 15 115.82 0.1 . 1 . . . . 38 GLN N . 18310 1 209 . 1 1 59 59 LEU H H 1 8.505 0.02 . 1 . . . . 39 LEU H . 18310 1 210 . 1 1 59 59 LEU C C 13 178.47 0.1 . 1 . . . . 39 LEU C . 18310 1 211 . 1 1 59 59 LEU CA C 13 57.72 0.1 . 1 . . . . 39 LEU CA . 18310 1 212 . 1 1 59 59 LEU CB C 13 41.23 0.1 . 1 . . . . 39 LEU CB . 18310 1 213 . 1 1 59 59 LEU N N 15 123.23 0.1 . 1 . . . . 39 LEU N . 18310 1 214 . 1 1 60 60 VAL H H 1 8.564 0.02 . 1 . . . . 40 VAL H . 18310 1 215 . 1 1 60 60 VAL C C 13 179.28 0.1 . 1 . . . . 40 VAL C . 18310 1 216 . 1 1 60 60 VAL CA C 13 66.56 0.1 . 1 . . . . 40 VAL CA . 18310 1 217 . 1 1 60 60 VAL CB C 13 30.73 0.1 . 1 . . . . 40 VAL CB . 18310 1 218 . 1 1 60 60 VAL N N 15 118.58 0.1 . 1 . . . . 40 VAL N . 18310 1 219 . 1 1 61 61 VAL H H 1 6.934 0.02 . 1 . . . . 41 VAL H . 18310 1 220 . 1 1 61 61 VAL C C 13 178.01 0.1 . 1 . . . . 41 VAL C . 18310 1 221 . 1 1 61 61 VAL CA C 13 65.77 0.1 . 1 . . . . 41 VAL CA . 18310 1 222 . 1 1 61 61 VAL CB C 13 30.97 0.1 . 1 . . . . 41 VAL CB . 18310 1 223 . 1 1 61 61 VAL N N 15 121.22 0.1 . 1 . . . . 41 VAL N . 18310 1 224 . 1 1 62 62 GLU H H 1 7.731 0.02 . 1 . . . . 42 GLU H . 18310 1 225 . 1 1 62 62 GLU C C 13 179.94 0.1 . 1 . . . . 42 GLU C . 18310 1 226 . 1 1 62 62 GLU CA C 13 58.51 0.1 . 1 . . . . 42 GLU CA . 18310 1 227 . 1 1 62 62 GLU CB C 13 28.34 0.1 . 1 . . . . 42 GLU CB . 18310 1 228 . 1 1 62 62 GLU N N 15 121.03 0.1 . 1 . . . . 42 GLU N . 18310 1 229 . 1 1 63 63 ILE H H 1 8.530 0.02 . 1 . . . . 43 ILE H . 18310 1 230 . 1 1 63 63 ILE C C 13 178.59 0.1 . 1 . . . . 43 ILE C . 18310 1 231 . 1 1 63 63 ILE CA C 13 65.43 0.1 . 1 . . . . 43 ILE CA . 18310 1 232 . 1 1 63 63 ILE CB C 13 37.90 0.1 . 1 . . . . 43 ILE CB . 18310 1 233 . 1 1 63 63 ILE N N 15 118.92 0.1 . 1 . . . . 43 ILE N . 18310 1 234 . 1 1 64 64 ALA H H 1 7.736 0.02 . 1 . . . . 44 ALA H . 18310 1 235 . 1 1 64 64 ALA C C 13 179.19 0.1 . 1 . . . . 44 ALA C . 18310 1 236 . 1 1 64 64 ALA CA C 13 54.24 0.1 . 1 . . . . 44 ALA CA . 18310 1 237 . 1 1 64 64 ALA CB C 13 17.16 0.1 . 1 . . . . 44 ALA CB . 18310 1 238 . 1 1 64 64 ALA N N 15 122.52 0.1 . 1 . . . . 44 ALA N . 18310 1 239 . 1 1 65 65 ASN H H 1 7.427 0.02 . 1 . . . . 45 ASN H . 18310 1 240 . 1 1 65 65 ASN C C 13 175.85 0.1 . 1 . . . . 45 ASN C . 18310 1 241 . 1 1 65 65 ASN CA C 13 52.41 0.1 . 1 . . . . 45 ASN CA . 18310 1 242 . 1 1 65 65 ASN CB C 13 38.91 0.1 . 1 . . . . 45 ASN CB . 18310 1 243 . 1 1 65 65 ASN N N 15 115.02 0.1 . 1 . . . . 45 ASN N . 18310 1 244 . 1 1 66 66 ILE H H 1 7.127 0.02 . 1 . . . . 46 ILE H . 18310 1 245 . 1 1 66 66 ILE C C 13 175.93 0.1 . 1 . . . . 46 ILE C . 18310 1 246 . 1 1 66 66 ILE CA C 13 62.61 0.1 . 1 . . . . 46 ILE CA . 18310 1 247 . 1 1 66 66 ILE CB C 13 38.26 0.1 . 1 . . . . 46 ILE CB . 18310 1 248 . 1 1 66 66 ILE N N 15 122.44 0.1 . 1 . . . . 46 ILE N . 18310 1 249 . 1 1 67 67 GLY H H 1 8.183 0.02 . 1 . . . . 47 GLY H . 18310 1 250 . 1 1 67 67 GLY C C 13 173.38 0.1 . 1 . . . . 47 GLY C . 18310 1 251 . 1 1 67 67 GLY CA C 13 45.28 0.1 . 1 . . . . 47 GLY CA . 18310 1 252 . 1 1 67 67 GLY N N 15 110.47 0.1 . 1 . . . . 47 GLY N . 18310 1 253 . 1 1 68 68 ARG H H 1 8.112 0.02 . 1 . . . . 48 ARG H . 18310 1 254 . 1 1 68 68 ARG C C 13 175.89 0.1 . 1 . . . . 48 ARG C . 18310 1 255 . 1 1 68 68 ARG CA C 13 55.74 0.1 . 1 . . . . 48 ARG CA . 18310 1 256 . 1 1 68 68 ARG CB C 13 29.81 0.1 . 1 . . . . 48 ARG CB . 18310 1 257 . 1 1 68 68 ARG N N 15 124.44 0.1 . 1 . . . . 48 ARG N . 18310 1 258 . 1 1 69 69 VAL H H 1 8.265 0.02 . 1 . . . . 49 VAL H . 18310 1 259 . 1 1 69 69 VAL C C 13 176.65 0.1 . 1 . . . . 49 VAL C . 18310 1 260 . 1 1 69 69 VAL CA C 13 60.69 0.1 . 1 . . . . 49 VAL CA . 18310 1 261 . 1 1 69 69 VAL CB C 13 32.48 0.1 . 1 . . . . 49 VAL CB . 18310 1 262 . 1 1 69 69 VAL N N 15 127.26 0.1 . 1 . . . . 49 VAL N . 18310 1 263 . 1 1 70 70 THR H H 1 8.891 0.02 . 1 . . . . 50 THR H . 18310 1 264 . 1 1 70 70 THR CA C 13 59.95 0.1 . 1 . . . . 50 THR CA . 18310 1 265 . 1 1 70 70 THR CB C 13 68.22 0.1 . 1 . . . . 50 THR CB . 18310 1 266 . 1 1 70 70 THR N N 15 121.29 0.1 . 1 . . . . 50 THR N . 18310 1 267 . 1 1 71 71 PRO C C 13 178.80 0.1 . 1 . . . . 51 PRO C . 18310 1 268 . 1 1 71 71 PRO CA C 13 65.11 0.1 . 1 . . . . 51 PRO CA . 18310 1 269 . 1 1 71 71 PRO CB C 13 30.77 0.1 . 1 . . . . 51 PRO CB . 18310 1 270 . 1 1 72 72 GLU H H 1 8.549 0.02 . 1 . . . . 52 GLU H . 18310 1 271 . 1 1 72 72 GLU C C 13 178.91 0.1 . 1 . . . . 52 GLU C . 18310 1 272 . 1 1 72 72 GLU CA C 13 60.00 0.1 . 1 . . . . 52 GLU CA . 18310 1 273 . 1 1 72 72 GLU CB C 13 28.02 0.1 . 1 . . . . 52 GLU CB . 18310 1 274 . 1 1 72 72 GLU N N 15 116.82 0.1 . 1 . . . . 52 GLU N . 18310 1 275 . 1 1 73 73 GLU H H 1 7.719 0.02 . 1 . . . . 53 GLU H . 18310 1 276 . 1 1 73 73 GLU C C 13 177.99 0.1 . 1 . . . . 53 GLU C . 18310 1 277 . 1 1 73 73 GLU CA C 13 59.02 0.1 . 1 . . . . 53 GLU CA . 18310 1 278 . 1 1 73 73 GLU CB C 13 28.91 0.1 . 1 . . . . 53 GLU CB . 18310 1 279 . 1 1 73 73 GLU N N 15 122.92 0.1 . 1 . . . . 53 GLU N . 18310 1 280 . 1 1 74 74 LYS H H 1 7.941 0.02 . 1 . . . . 54 LYS H . 18310 1 281 . 1 1 74 74 LYS C C 13 177.70 0.1 . 1 . . . . 54 LYS C . 18310 1 282 . 1 1 74 74 LYS CA C 13 60.32 0.1 . 1 . . . . 54 LYS CA . 18310 1 283 . 1 1 74 74 LYS CB C 13 32.01 0.1 . 1 . . . . 54 LYS CB . 18310 1 284 . 1 1 74 74 LYS N N 15 119.01 0.1 . 1 . . . . 54 LYS N . 18310 1 285 . 1 1 75 75 LYS H H 1 8.257 0.02 . 1 . . . . 55 LYS H . 18310 1 286 . 1 1 75 75 LYS C C 13 177.34 0.1 . 1 . . . . 55 LYS C . 18310 1 287 . 1 1 75 75 LYS CA C 13 60.09 0.1 . 1 . . . . 55 LYS CA . 18310 1 288 . 1 1 75 75 LYS CB C 13 31.81 0.1 . 1 . . . . 55 LYS CB . 18310 1 289 . 1 1 75 75 LYS N N 15 118.07 0.1 . 1 . . . . 55 LYS N . 18310 1 290 . 1 1 76 76 GLN H H 1 7.713 0.02 . 1 . . . . 56 GLN H . 18310 1 291 . 1 1 76 76 GLN C C 13 180.02 0.1 . 1 . . . . 56 GLN C . 18310 1 292 . 1 1 76 76 GLN CA C 13 58.84 0.1 . 1 . . . . 56 GLN CA . 18310 1 293 . 1 1 76 76 GLN CB C 13 27.77 0.1 . 1 . . . . 56 GLN CB . 18310 1 294 . 1 1 76 76 GLN N N 15 117.99 0.1 . 1 . . . . 56 GLN N . 18310 1 295 . 1 1 77 77 VAL H H 1 8.213 0.02 . 1 . . . . 57 VAL H . 18310 1 296 . 1 1 77 77 VAL C C 13 177.93 0.1 . 1 . . . . 57 VAL C . 18310 1 297 . 1 1 77 77 VAL CA C 13 66.89 0.1 . 1 . . . . 57 VAL CA . 18310 1 298 . 1 1 77 77 VAL CB C 13 31.10 0.1 . 1 . . . . 57 VAL CB . 18310 1 299 . 1 1 77 77 VAL N N 15 121.10 0.1 . 1 . . . . 57 VAL N . 18310 1 300 . 1 1 78 78 LEU H H 1 8.469 0.02 . 1 . . . . 58 LEU H . 18310 1 301 . 1 1 78 78 LEU C C 13 179.05 0.1 . 1 . . . . 58 LEU C . 18310 1 302 . 1 1 78 78 LEU CA C 13 58.21 0.1 . 1 . . . . 58 LEU CA . 18310 1 303 . 1 1 78 78 LEU CB C 13 41.00 0.1 . 1 . . . . 58 LEU CB . 18310 1 304 . 1 1 78 78 LEU N N 15 120.43 0.1 . 1 . . . . 58 LEU N . 18310 1 305 . 1 1 79 79 GLU H H 1 8.784 0.02 . 1 . . . . 59 GLU H . 18310 1 306 . 1 1 79 79 GLU C C 13 179.94 0.1 . 1 . . . . 59 GLU C . 18310 1 307 . 1 1 79 79 GLU CA C 13 59.97 0.1 . 1 . . . . 59 GLU CA . 18310 1 308 . 1 1 79 79 GLU CB C 13 28.89 0.1 . 1 . . . . 59 GLU CB . 18310 1 309 . 1 1 79 79 GLU N N 15 118.77 0.1 . 1 . . . . 59 GLU N . 18310 1 310 . 1 1 80 80 GLU H H 1 7.945 0.02 . 1 . . . . 60 GLU H . 18310 1 311 . 1 1 80 80 GLU C C 13 178.88 0.1 . 1 . . . . 60 GLU C . 18310 1 312 . 1 1 80 80 GLU CA C 13 59.88 0.1 . 1 . . . . 60 GLU CA . 18310 1 313 . 1 1 80 80 GLU CB C 13 28.66 0.1 . 1 . . . . 60 GLU CB . 18310 1 314 . 1 1 80 80 GLU N N 15 121.55 0.1 . 1 . . . . 60 GLU N . 18310 1 315 . 1 1 81 81 PHE H H 1 9.212 0.02 . 1 . . . . 61 PHE H . 18310 1 316 . 1 1 81 81 PHE C C 13 176.19 0.1 . 1 . . . . 61 PHE C . 18310 1 317 . 1 1 81 81 PHE CA C 13 62.03 0.1 . 1 . . . . 61 PHE CA . 18310 1 318 . 1 1 81 81 PHE CB C 13 38.62 0.1 . 1 . . . . 61 PHE CB . 18310 1 319 . 1 1 81 81 PHE N N 15 120.05 0.1 . 1 . . . . 61 PHE N . 18310 1 320 . 1 1 82 82 LEU H H 1 8.687 0.02 . 1 . . . . 62 LEU H . 18310 1 321 . 1 1 82 82 LEU C C 13 179.74 0.1 . 1 . . . . 62 LEU C . 18310 1 322 . 1 1 82 82 LEU CA C 13 57.48 0.1 . 1 . . . . 62 LEU CA . 18310 1 323 . 1 1 82 82 LEU CB C 13 40.34 0.1 . 1 . . . . 62 LEU CB . 18310 1 324 . 1 1 82 82 LEU N N 15 119.03 0.1 . 1 . . . . 62 LEU N . 18310 1 325 . 1 1 83 83 SER H H 1 7.763 0.02 . 1 . . . . 63 SER H . 18310 1 326 . 1 1 83 83 SER C C 13 176.00 0.1 . 1 . . . . 63 SER C . 18310 1 327 . 1 1 83 83 SER CA C 13 62.08 0.1 . 1 . . . . 63 SER CA . 18310 1 328 . 1 1 83 83 SER CB C 13 63.01 0.1 . 1 . . . . 63 SER CB . 18310 1 329 . 1 1 83 83 SER N N 15 116.28 0.1 . 1 . . . . 63 SER N . 18310 1 330 . 1 1 84 84 LEU H H 1 7.712 0.02 . 1 . . . . 64 LEU H . 18310 1 331 . 1 1 84 84 LEU C C 13 178.33 0.1 . 1 . . . . 64 LEU C . 18310 1 332 . 1 1 84 84 LEU CA C 13 57.49 0.1 . 1 . . . . 64 LEU CA . 18310 1 333 . 1 1 84 84 LEU CB C 13 41.08 0.1 . 1 . . . . 64 LEU CB . 18310 1 334 . 1 1 84 84 LEU N N 15 122.46 0.1 . 1 . . . . 64 LEU N . 18310 1 335 . 1 1 85 85 ALA H H 1 8.626 0.02 . 1 . . . . 65 ALA H . 18310 1 336 . 1 1 85 85 ALA C C 13 180.94 0.1 . 1 . . . . 65 ALA C . 18310 1 337 . 1 1 85 85 ALA CA C 13 54.68 0.1 . 1 . . . . 65 ALA CA . 18310 1 338 . 1 1 85 85 ALA CB C 13 16.52 0.1 . 1 . . . . 65 ALA CB . 18310 1 339 . 1 1 85 85 ALA N N 15 122.04 0.1 . 1 . . . . 65 ALA N . 18310 1 340 . 1 1 86 86 LYS H H 1 8.082 0.02 . 1 . . . . 66 LYS H . 18310 1 341 . 1 1 86 86 LYS C C 13 179.01 0.1 . 1 . . . . 66 LYS C . 18310 1 342 . 1 1 86 86 LYS CA C 13 57.91 0.1 . 1 . . . . 66 LYS CA . 18310 1 343 . 1 1 86 86 LYS CB C 13 30.43 0.1 . 1 . . . . 66 LYS CB . 18310 1 344 . 1 1 86 86 LYS N N 15 119.14 0.1 . 1 . . . . 66 LYS N . 18310 1 345 . 1 1 87 87 ALA H H 1 7.779 0.02 . 1 . . . . 67 ALA H . 18310 1 346 . 1 1 87 87 ALA C C 13 178.89 0.1 . 1 . . . . 67 ALA C . 18310 1 347 . 1 1 87 87 ALA CA C 13 55.04 0.1 . 1 . . . . 67 ALA CA . 18310 1 348 . 1 1 87 87 ALA CB C 13 17.71 0.1 . 1 . . . . 67 ALA CB . 18310 1 349 . 1 1 87 87 ALA N N 15 122.10 0.1 . 1 . . . . 67 ALA N . 18310 1 350 . 1 1 88 88 LYS H H 1 8.221 0.02 . 1 . . . . 68 LYS H . 18310 1 351 . 1 1 88 88 LYS C C 13 178.81 0.1 . 1 . . . . 68 LYS C . 18310 1 352 . 1 1 88 88 LYS CA C 13 59.36 0.1 . 1 . . . . 68 LYS CA . 18310 1 353 . 1 1 88 88 LYS CB C 13 30.94 0.1 . 1 . . . . 68 LYS CB . 18310 1 354 . 1 1 88 88 LYS N N 15 118.37 0.1 . 1 . . . . 68 LYS N . 18310 1 355 . 1 1 89 89 GLU H H 1 7.713 0.02 . 1 . . . . 69 GLU H . 18310 1 356 . 1 1 89 89 GLU C C 13 179.03 0.1 . 1 . . . . 69 GLU C . 18310 1 357 . 1 1 89 89 GLU CA C 13 58.92 0.1 . 1 . . . . 69 GLU CA . 18310 1 358 . 1 1 89 89 GLU CB C 13 28.78 0.1 . 1 . . . . 69 GLU CB . 18310 1 359 . 1 1 89 89 GLU N N 15 120.98 0.1 . 1 . . . . 69 GLU N . 18310 1 360 . 1 1 90 90 MET H H 1 8.027 0.02 . 1 . . . . 70 MET H . 18310 1 361 . 1 1 90 90 MET C C 13 179.26 0.1 . 1 . . . . 70 MET C . 18310 1 362 . 1 1 90 90 MET CA C 13 58.80 0.1 . 1 . . . . 70 MET CA . 18310 1 363 . 1 1 90 90 MET CB C 13 32.84 0.1 . 1 . . . . 70 MET CB . 18310 1 364 . 1 1 90 90 MET N N 15 118.80 0.1 . 1 . . . . 70 MET N . 18310 1 365 . 1 1 91 91 ILE H H 1 8.312 0.02 . 1 . . . . 71 ILE H . 18310 1 366 . 1 1 91 91 ILE C C 13 179.29 0.1 . 1 . . . . 71 ILE C . 18310 1 367 . 1 1 91 91 ILE CA C 13 65.40 0.1 . 1 . . . . 71 ILE CA . 18310 1 368 . 1 1 91 91 ILE CB C 13 37.27 0.1 . 1 . . . . 71 ILE CB . 18310 1 369 . 1 1 91 91 ILE N N 15 120.99 0.1 . 1 . . . . 71 ILE N . 18310 1 370 . 1 1 92 92 SER H H 1 7.971 0.02 . 1 . . . . 72 SER H . 18310 1 371 . 1 1 92 92 SER C C 13 175.30 0.1 . 1 . . . . 72 SER C . 18310 1 372 . 1 1 92 92 SER CA C 13 61.20 0.1 . 1 . . . . 72 SER CA . 18310 1 373 . 1 1 92 92 SER CB C 13 63.16 0.1 . 1 . . . . 72 SER CB . 18310 1 374 . 1 1 92 92 SER N N 15 116.98 0.1 . 1 . . . . 72 SER N . 18310 1 375 . 1 1 93 93 GLU H H 1 7.689 0.02 . 1 . . . . 73 GLU H . 18310 1 376 . 1 1 93 93 GLU C C 13 177.33 0.1 . 1 . . . . 73 GLU C . 18310 1 377 . 1 1 93 93 GLU CA C 13 56.91 0.1 . 1 . . . . 73 GLU CA . 18310 1 378 . 1 1 93 93 GLU CB C 13 29.48 0.1 . 1 . . . . 73 GLU CB . 18310 1 379 . 1 1 93 93 GLU N N 15 119.47 0.1 . 1 . . . . 73 GLU N . 18310 1 380 . 1 1 94 94 GLY H H 1 8.025 0.02 . 1 . . . . 74 GLY H . 18310 1 381 . 1 1 94 94 GLY C C 13 175.06 0.1 . 1 . . . . 74 GLY C . 18310 1 382 . 1 1 94 94 GLY CA C 13 44.95 0.1 . 1 . . . . 74 GLY CA . 18310 1 383 . 1 1 94 94 GLY N N 15 106.05 0.1 . 1 . . . . 74 GLY N . 18310 1 384 . 1 1 95 95 GLY H H 1 8.253 0.02 . 1 . . . . 75 GLY H . 18310 1 385 . 1 1 95 95 GLY C C 13 174.72 0.1 . 1 . . . . 75 GLY C . 18310 1 386 . 1 1 95 95 GLY CA C 13 45.10 0.1 . 1 . . . . 75 GLY CA . 18310 1 387 . 1 1 95 95 GLY N N 15 112.29 0.1 . 1 . . . . 75 GLY N . 18310 1 388 . 1 1 96 96 ILE H H 1 8.182 0.02 . 1 . . . . 76 ILE H . 18310 1 389 . 1 1 96 96 ILE C C 13 176.72 0.1 . 1 . . . . 76 ILE C . 18310 1 390 . 1 1 96 96 ILE CA C 13 64.64 0.1 . 1 . . . . 76 ILE CA . 18310 1 391 . 1 1 96 96 ILE CB C 13 37.17 0.1 . 1 . . . . 76 ILE CB . 18310 1 392 . 1 1 96 96 ILE N N 15 120.60 0.1 . 1 . . . . 76 ILE N . 18310 1 393 . 1 1 97 97 GLU H H 1 8.441 0.02 . 1 . . . . 77 GLU H . 18310 1 394 . 1 1 97 97 GLU C C 13 179.06 0.1 . 1 . . . . 77 GLU C . 18310 1 395 . 1 1 97 97 GLU CA C 13 59.25 0.1 . 1 . . . . 77 GLU CA . 18310 1 396 . 1 1 97 97 GLU CB C 13 27.86 0.1 . 1 . . . . 77 GLU CB . 18310 1 397 . 1 1 97 97 GLU N N 15 120.09 0.1 . 1 . . . . 77 GLU N . 18310 1 398 . 1 1 98 98 TYR H H 1 7.562 0.02 . 1 . . . . 78 TYR H . 18310 1 399 . 1 1 98 98 TYR C C 13 177.10 0.1 . 1 . . . . 78 TYR C . 18310 1 400 . 1 1 98 98 TYR CA C 13 59.85 0.1 . 1 . . . . 78 TYR CA . 18310 1 401 . 1 1 98 98 TYR CB C 13 37.48 0.1 . 1 . . . . 78 TYR CB . 18310 1 402 . 1 1 98 98 TYR N N 15 120.62 0.1 . 1 . . . . 78 TYR N . 18310 1 403 . 1 1 99 99 ALA H H 1 7.904 0.02 . 1 . . . . 79 ALA H . 18310 1 404 . 1 1 99 99 ALA C C 13 179.08 0.1 . 1 . . . . 79 ALA C . 18310 1 405 . 1 1 99 99 ALA CA C 13 54.45 0.1 . 1 . . . . 79 ALA CA . 18310 1 406 . 1 1 99 99 ALA CB C 13 18.41 0.1 . 1 . . . . 79 ALA CB . 18310 1 407 . 1 1 99 99 ALA N N 15 121.28 0.1 . 1 . . . . 79 ALA N . 18310 1 408 . 1 1 100 100 LYS H H 1 8.454 0.02 . 1 . . . . 80 LYS H . 18310 1 409 . 1 1 100 100 LYS C C 13 177.89 0.1 . 1 . . . . 80 LYS C . 18310 1 410 . 1 1 100 100 LYS CA C 13 60.32 0.1 . 1 . . . . 80 LYS CA . 18310 1 411 . 1 1 100 100 LYS CB C 13 31.56 0.1 . 1 . . . . 80 LYS CB . 18310 1 412 . 1 1 100 100 LYS N N 15 117.35 0.1 . 1 . . . . 80 LYS N . 18310 1 413 . 1 1 101 101 LYS H H 1 7.268 0.02 . 1 . . . . 81 LYS H . 18310 1 414 . 1 1 101 101 LYS C C 13 179.74 0.1 . 1 . . . . 81 LYS C . 18310 1 415 . 1 1 101 101 LYS CA C 13 58.86 0.1 . 1 . . . . 81 LYS CA . 18310 1 416 . 1 1 101 101 LYS CB C 13 31.12 0.1 . 1 . . . . 81 LYS CB . 18310 1 417 . 1 1 101 101 LYS N N 15 118.18 0.1 . 1 . . . . 81 LYS N . 18310 1 418 . 1 1 102 102 VAL H H 1 7.557 0.02 . 1 . . . . 82 VAL H . 18310 1 419 . 1 1 102 102 VAL C C 13 179.43 0.1 . 1 . . . . 82 VAL C . 18310 1 420 . 1 1 102 102 VAL CA C 13 65.73 0.1 . 1 . . . . 82 VAL CA . 18310 1 421 . 1 1 102 102 VAL CB C 13 31.09 0.1 . 1 . . . . 82 VAL CB . 18310 1 422 . 1 1 102 102 VAL N N 15 119.86 0.1 . 1 . . . . 82 VAL N . 18310 1 423 . 1 1 103 103 LEU H H 1 8.364 0.02 . 1 . . . . 83 LEU H . 18310 1 424 . 1 1 103 103 LEU C C 13 179.11 0.1 . 1 . . . . 83 LEU C . 18310 1 425 . 1 1 103 103 LEU CA C 13 57.12 0.1 . 1 . . . . 83 LEU CA . 18310 1 426 . 1 1 103 103 LEU CB C 13 41.67 0.1 . 1 . . . . 83 LEU CB . 18310 1 427 . 1 1 103 103 LEU N N 15 119.71 0.1 . 1 . . . . 83 LEU N . 18310 1 428 . 1 1 104 104 GLU H H 1 8.629 0.02 . 1 . . . . 84 GLU H . 18310 1 429 . 1 1 104 104 GLU C C 13 179.41 0.1 . 1 . . . . 84 GLU C . 18310 1 430 . 1 1 104 104 GLU CA C 13 59.21 0.1 . 1 . . . . 84 GLU CA . 18310 1 431 . 1 1 104 104 GLU CB C 13 28.39 0.1 . 1 . . . . 84 GLU CB . 18310 1 432 . 1 1 104 104 GLU N N 15 121.10 0.1 . 1 . . . . 84 GLU N . 18310 1 433 . 1 1 105 105 LYS H H 1 7.277 0.02 . 1 . . . . 85 LYS H . 18310 1 434 . 1 1 105 105 LYS C C 13 177.43 0.1 . 1 . . . . 85 LYS C . 18310 1 435 . 1 1 105 105 LYS CA C 13 58.37 0.1 . 1 . . . . 85 LYS CA . 18310 1 436 . 1 1 105 105 LYS CB C 13 31.15 0.1 . 1 . . . . 85 LYS CB . 18310 1 437 . 1 1 105 105 LYS N N 15 119.82 0.1 . 1 . . . . 85 LYS N . 18310 1 438 . 1 1 106 106 ALA H H 1 7.159 0.02 . 1 . . . . 86 ALA H . 18310 1 439 . 1 1 106 106 ALA C C 13 179.21 0.1 . 1 . . . . 86 ALA C . 18310 1 440 . 1 1 106 106 ALA CA C 13 53.83 0.1 . 1 . . . . 86 ALA CA . 18310 1 441 . 1 1 106 106 ALA CB C 13 17.99 0.1 . 1 . . . . 86 ALA CB . 18310 1 442 . 1 1 106 106 ALA N N 15 119.00 0.1 . 1 . . . . 86 ALA N . 18310 1 443 . 1 1 107 107 PHE H H 1 8.339 0.02 . 1 . . . . 87 PHE H . 18310 1 444 . 1 1 107 107 PHE C C 13 176.95 0.1 . 1 . . . . 87 PHE C . 18310 1 445 . 1 1 107 107 PHE CA C 13 56.62 0.1 . 1 . . . . 87 PHE CA . 18310 1 446 . 1 1 107 107 PHE CB C 13 41.08 0.1 . 1 . . . . 87 PHE CB . 18310 1 447 . 1 1 107 107 PHE N N 15 112.59 0.1 . 1 . . . . 87 PHE N . 18310 1 448 . 1 1 108 108 GLY H H 1 7.762 0.02 . 1 . . . . 88 GLY H . 18310 1 449 . 1 1 108 108 GLY CA C 13 43.96 0.1 . 1 . . . . 88 GLY CA . 18310 1 450 . 1 1 108 108 GLY N N 15 111.16 0.1 . 1 . . . . 88 GLY N . 18310 1 451 . 1 1 109 109 PRO C C 13 179.00 0.1 . 1 . . . . 89 PRO C . 18310 1 452 . 1 1 109 109 PRO CA C 13 65.72 0.1 . 1 . . . . 89 PRO CA . 18310 1 453 . 1 1 109 109 PRO CB C 13 31.20 0.1 . 1 . . . . 89 PRO CB . 18310 1 454 . 1 1 110 110 GLU H H 1 8.149 0.02 . 1 . . . . 90 GLU H . 18310 1 455 . 1 1 110 110 GLU C C 13 179.10 0.1 . 1 . . . . 90 GLU C . 18310 1 456 . 1 1 110 110 GLU CA C 13 59.47 0.1 . 1 . . . . 90 GLU CA . 18310 1 457 . 1 1 110 110 GLU CB C 13 28.31 0.1 . 1 . . . . 90 GLU CB . 18310 1 458 . 1 1 110 110 GLU N N 15 119.75 0.1 . 1 . . . . 90 GLU N . 18310 1 459 . 1 1 111 111 ARG H H 1 8.751 0.02 . 1 . . . . 91 ARG H . 18310 1 460 . 1 1 111 111 ARG C C 13 178.86 0.1 . 1 . . . . 91 ARG C . 18310 1 461 . 1 1 111 111 ARG CA C 13 58.49 0.1 . 1 . . . . 91 ARG CA . 18310 1 462 . 1 1 111 111 ARG CB C 13 28.81 0.1 . 1 . . . . 91 ARG CB . 18310 1 463 . 1 1 111 111 ARG N N 15 120.36 0.1 . 1 . . . . 91 ARG N . 18310 1 464 . 1 1 112 112 ALA H H 1 7.943 0.02 . 1 . . . . 92 ALA H . 18310 1 465 . 1 1 112 112 ALA C C 13 178.56 0.1 . 1 . . . . 92 ALA C . 18310 1 466 . 1 1 112 112 ALA CA C 13 55.53 0.1 . 1 . . . . 92 ALA CA . 18310 1 467 . 1 1 112 112 ALA CB C 13 18.52 0.1 . 1 . . . . 92 ALA CB . 18310 1 468 . 1 1 112 112 ALA N N 15 118.89 0.1 . 1 . . . . 92 ALA N . 18310 1 469 . 1 1 113 113 ARG H H 1 7.543 0.02 . 1 . . . . 93 ARG H . 18310 1 470 . 1 1 113 113 ARG C C 13 178.50 0.1 . 1 . . . . 93 ARG C . 18310 1 471 . 1 1 113 113 ARG CA C 13 59.18 0.1 . 1 . . . . 93 ARG CA . 18310 1 472 . 1 1 113 113 ARG CB C 13 28.81 0.1 . 1 . . . . 93 ARG CB . 18310 1 473 . 1 1 113 113 ARG N N 15 116.25 0.1 . 1 . . . . 93 ARG N . 18310 1 474 . 1 1 114 114 LYS H H 1 7.380 0.02 . 1 . . . . 94 LYS H . 18310 1 475 . 1 1 114 114 LYS C C 13 179.31 0.1 . 1 . . . . 94 LYS C . 18310 1 476 . 1 1 114 114 LYS CA C 13 58.39 0.1 . 1 . . . . 94 LYS CA . 18310 1 477 . 1 1 114 114 LYS CB C 13 31.21 0.1 . 1 . . . . 94 LYS CB . 18310 1 478 . 1 1 114 114 LYS N N 15 119.12 0.1 . 1 . . . . 94 LYS N . 18310 1 479 . 1 1 115 115 ILE H H 1 8.068 0.02 . 1 . . . . 95 ILE H . 18310 1 480 . 1 1 115 115 ILE C C 13 177.61 0.1 . 1 . . . . 95 ILE C . 18310 1 481 . 1 1 115 115 ILE CA C 13 65.17 0.1 . 1 . . . . 95 ILE CA . 18310 1 482 . 1 1 115 115 ILE CB C 13 37.24 0.1 . 1 . . . . 95 ILE CB . 18310 1 483 . 1 1 115 115 ILE N N 15 120.55 0.1 . 1 . . . . 95 ILE N . 18310 1 484 . 1 1 116 116 ILE H H 1 7.933 0.02 . 1 . . . . 96 ILE H . 18310 1 485 . 1 1 116 116 ILE C C 13 179.16 0.1 . 1 . . . . 96 ILE C . 18310 1 486 . 1 1 116 116 ILE CA C 13 63.66 0.1 . 1 . . . . 96 ILE CA . 18310 1 487 . 1 1 116 116 ILE CB C 13 35.70 0.1 . 1 . . . . 96 ILE CB . 18310 1 488 . 1 1 116 116 ILE N N 15 119.01 0.1 . 1 . . . . 96 ILE N . 18310 1 489 . 1 1 117 117 GLU H H 1 8.150 0.02 . 1 . . . . 97 GLU H . 18310 1 490 . 1 1 117 117 GLU C C 13 178.82 0.1 . 1 . . . . 97 GLU C . 18310 1 491 . 1 1 117 117 GLU CA C 13 59.21 0.1 . 1 . . . . 97 GLU CA . 18310 1 492 . 1 1 117 117 GLU CB C 13 28.71 0.1 . 1 . . . . 97 GLU CB . 18310 1 493 . 1 1 117 117 GLU N N 15 121.75 0.1 . 1 . . . . 97 GLU N . 18310 1 494 . 1 1 118 118 ARG H H 1 7.678 0.02 . 1 . . . . 98 ARG H . 18310 1 495 . 1 1 118 118 ARG C C 13 178.79 0.1 . 1 . . . . 98 ARG C . 18310 1 496 . 1 1 118 118 ARG CA C 13 57.87 0.1 . 1 . . . . 98 ARG CA . 18310 1 497 . 1 1 118 118 ARG CB C 13 29.44 0.1 . 1 . . . . 98 ARG CB . 18310 1 498 . 1 1 118 118 ARG N N 15 118.63 0.1 . 1 . . . . 98 ARG N . 18310 1 499 . 1 1 119 119 LEU H H 1 7.903 0.02 . 1 . . . . 99 LEU H . 18310 1 500 . 1 1 119 119 LEU C C 13 178.07 0.1 . 1 . . . . 99 LEU C . 18310 1 501 . 1 1 119 119 LEU CA C 13 55.89 0.1 . 1 . . . . 99 LEU CA . 18310 1 502 . 1 1 119 119 LEU CB C 13 42.07 0.1 . 1 . . . . 99 LEU CB . 18310 1 503 . 1 1 119 119 LEU N N 15 116.92 0.1 . 1 . . . . 99 LEU N . 18310 1 504 . 1 1 120 120 THR H H 1 7.566 0.02 . 1 . . . . 100 THR H . 18310 1 505 . 1 1 120 120 THR C C 13 174.62 0.1 . 1 . . . . 100 THR C . 18310 1 506 . 1 1 120 120 THR CA C 13 61.44 0.1 . 1 . . . . 100 THR CA . 18310 1 507 . 1 1 120 120 THR CB C 13 69.84 0.1 . 1 . . . . 100 THR CB . 18310 1 508 . 1 1 120 120 THR N N 15 108.43 0.1 . 1 . . . . 100 THR N . 18310 1 509 . 1 1 121 121 SER H H 1 7.584 0.02 . 1 . . . . 101 SER H . 18310 1 510 . 1 1 121 121 SER C C 13 173.68 0.1 . 1 . . . . 101 SER C . 18310 1 511 . 1 1 121 121 SER CA C 13 58.45 0.1 . 1 . . . . 101 SER CA . 18310 1 512 . 1 1 121 121 SER CB C 13 63.35 0.1 . 1 . . . . 101 SER CB . 18310 1 513 . 1 1 121 121 SER N N 15 118.23 0.1 . 1 . . . . 101 SER N . 18310 1 514 . 1 1 122 122 SER H H 1 7.799 0.02 . 1 . . . . 102 SER H . 18310 1 515 . 1 1 122 122 SER CA C 13 59.75 0.1 . 1 . . . . 102 SER CA . 18310 1 516 . 1 1 122 122 SER CB C 13 64.17 0.1 . 1 . . . . 102 SER CB . 18310 1 517 . 1 1 122 122 SER N N 15 123.57 0.1 . 1 . . . . 102 SER N . 18310 1 stop_ save_