################################### # 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 30583 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _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' . . . 30583 1 2 '2D 1H-15N HSQC' . . . 30583 1 3 '2D 1H-15N HSQC' . . . 30583 1 4 '2D 1H-15N HSQC' . . . 30583 1 5 '2D 1H-15N HSQC' . . . 30583 1 6 '2D 1H-15N HSQC' . . . 30583 1 7 '2D 1H-15N HSQC' . . . 30583 1 8 '3D HNCO' . . . 30583 1 9 '3D HNCACO' . . . 30583 1 10 '3D HNCA' . . . 30583 1 11 '3D HNCACB' . . . 30583 1 12 '3D HN(COCA)CB' . . . 30583 1 13 '2D 1H-15N HSQC' . . . 30583 1 14 '2D 1H-15N HSQC' . . . 30583 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 GLY H H 1 8.236 0.001 . . . . . . A 156 GLY H . 30583 1 2 . 1 . 1 2 2 GLY C C 13 172.490 0 . . . . . . A 156 GLY C . 30583 1 3 . 1 . 1 2 2 GLY CA C 13 44.820 0 . . . . . . A 156 GLY CA . 30583 1 4 . 1 . 1 2 2 GLY N N 15 111.696 0.024 . . . . . . A 156 GLY N . 30583 1 5 . 1 . 1 3 3 CYS H H 1 7.946 0.002 . . . . . . A 157 CYS H . 30583 1 6 . 1 . 1 3 3 CYS C C 13 175.090 0 . . . . . . A 157 CYS C . 30583 1 7 . 1 . 1 3 3 CYS CA C 13 60.360 0 . . . . . . A 157 CYS CA . 30583 1 8 . 1 . 1 3 3 CYS CB C 13 28.560 0 . . . . . . A 157 CYS CB . 30583 1 9 . 1 . 1 3 3 CYS N N 15 116.876 0.065 . . . . . . A 157 CYS N . 30583 1 10 . 1 . 1 4 4 LEU H H 1 8.196 0.002 . . . . . . A 158 LEU H . 30583 1 11 . 1 . 1 4 4 LEU C C 13 175.100 0 . . . . . . A 158 LEU C . 30583 1 12 . 1 . 1 4 4 LEU CA C 13 51.590 0 . . . . . . A 158 LEU CA . 30583 1 13 . 1 . 1 4 4 LEU CB C 13 44.020 0 . . . . . . A 158 LEU CB . 30583 1 14 . 1 . 1 4 4 LEU N N 15 123.056 0.032 . . . . . . A 158 LEU N . 30583 1 15 . 1 . 1 6 6 ALA H H 1 9.036 0.002 . . . . . . A 160 ALA H . 30583 1 16 . 1 . 1 6 6 ALA C C 13 180.710 0 . . . . . . A 160 ALA C . 30583 1 17 . 1 . 1 6 6 ALA CA C 13 54.990 0 . . . . . . A 160 ALA CA . 30583 1 18 . 1 . 1 6 6 ALA CB C 13 18.370 0 . . . . . . A 160 ALA CB . 30583 1 19 . 1 . 1 6 6 ALA N N 15 119.846 0.03 . . . . . . A 160 ALA N . 30583 1 20 . 1 . 1 7 7 TYR H H 1 7.146 0.002 . . . . . . A 161 TYR H . 30583 1 21 . 1 . 1 7 7 TYR C C 13 176.870 0 . . . . . . A 161 TYR C . 30583 1 22 . 1 . 1 7 7 TYR CA C 13 62.440 0 . . . . . . A 161 TYR CA . 30583 1 23 . 1 . 1 7 7 TYR CB C 13 35.210 0 . . . . . . A 161 TYR CB . 30583 1 24 . 1 . 1 7 7 TYR N N 15 117.716 0.059 . . . . . . A 161 TYR N . 30583 1 25 . 1 . 1 8 8 ASP H H 1 8.626 0.001 . . . . . . A 162 ASP H . 30583 1 26 . 1 . 1 8 8 ASP C C 13 179.970 0 . . . . . . A 162 ASP C . 30583 1 27 . 1 . 1 8 8 ASP CA C 13 58.230 0 . . . . . . A 162 ASP CA . 30583 1 28 . 1 . 1 8 8 ASP CB C 13 40.650 0 . . . . . . A 162 ASP CB . 30583 1 29 . 1 . 1 8 8 ASP N N 15 124.176 0.07 . . . . . . A 162 ASP N . 30583 1 30 . 1 . 1 9 9 ALA H H 1 7.636 0.002 . . . . . . A 163 ALA H . 30583 1 31 . 1 . 1 9 9 ALA C C 13 180.840 0 . . . . . . A 163 ALA C . 30583 1 32 . 1 . 1 9 9 ALA CA C 13 54.910 0 . . . . . . A 163 ALA CA . 30583 1 33 . 1 . 1 9 9 ALA CB C 13 17.660 0 . . . . . . A 163 ALA CB . 30583 1 34 . 1 . 1 9 9 ALA N N 15 122.486 0.016 . . . . . . A 163 ALA N . 30583 1 35 . 1 . 1 10 10 LEU H H 1 7.106 0.001 . . . . . . A 164 LEU H . 30583 1 36 . 1 . 1 10 10 LEU C C 13 178.500 0 . . . . . . A 164 LEU C . 30583 1 37 . 1 . 1 10 10 LEU CA C 13 58.010 0 . . . . . . A 164 LEU CA . 30583 1 38 . 1 . 1 10 10 LEU CB C 13 41.950 0 . . . . . . A 164 LEU CB . 30583 1 39 . 1 . 1 10 10 LEU N N 15 119.236 0.057 . . . . . . A 164 LEU N . 30583 1 40 . 1 . 1 11 11 ALA H H 1 8.616 0.001 . . . . . . A 165 ALA H . 30583 1 41 . 1 . 1 11 11 ALA C C 13 179.000 0 . . . . . . A 165 ALA C . 30583 1 42 . 1 . 1 11 11 ALA CA C 13 56.010 0 . . . . . . A 165 ALA CA . 30583 1 43 . 1 . 1 11 11 ALA CB C 13 17.700 0 . . . . . . A 165 ALA CB . 30583 1 44 . 1 . 1 11 11 ALA N N 15 122.656 0.057 . . . . . . A 165 ALA N . 30583 1 45 . 1 . 1 12 12 GLY H H 1 7.636 0.002 . . . . . . A 166 GLY H . 30583 1 46 . 1 . 1 12 12 GLY C C 13 176.720 0 . . . . . . A 166 GLY C . 30583 1 47 . 1 . 1 12 12 GLY CA C 13 47.250 0 . . . . . . A 166 GLY CA . 30583 1 48 . 1 . 1 12 12 GLY N N 15 103.756 0.016 . . . . . . A 166 GLY N . 30583 1 49 . 1 . 1 13 13 GLN H H 1 7.746 0.001 . . . . . . A 167 GLN H . 30583 1 50 . 1 . 1 13 13 GLN C C 13 178.790 0 . . . . . . A 167 GLN C . 30583 1 51 . 1 . 1 13 13 GLN CA C 13 58.960 0 . . . . . . A 167 GLN CA . 30583 1 52 . 1 . 1 13 13 GLN CB C 13 28.730 0 . . . . . . A 167 GLN CB . 30583 1 53 . 1 . 1 13 13 GLN N N 15 120.966 0.033 . . . . . . A 167 GLN N . 30583 1 54 . 1 . 1 14 14 PHE H H 1 9.126 0.001 . . . . . . A 168 PHE H . 30583 1 55 . 1 . 1 14 14 PHE C C 13 177.360 0 . . . . . . A 168 PHE C . 30583 1 56 . 1 . 1 14 14 PHE CA C 13 62.540 0 . . . . . . A 168 PHE CA . 30583 1 57 . 1 . 1 14 14 PHE CB C 13 40.440 0 . . . . . . A 168 PHE CB . 30583 1 58 . 1 . 1 14 14 PHE N N 15 121.566 0.021 . . . . . . A 168 PHE N . 30583 1 59 . 1 . 1 15 15 ILE H H 1 8.516 0.002 . . . . . . A 169 ILE H . 30583 1 60 . 1 . 1 15 15 ILE C C 13 177.590 0 . . . . . . A 169 ILE C . 30583 1 61 . 1 . 1 15 15 ILE CA C 13 61.580 0 . . . . . . A 169 ILE CA . 30583 1 62 . 1 . 1 15 15 ILE CB C 13 37.580 0 . . . . . . A 169 ILE CB . 30583 1 63 . 1 . 1 15 15 ILE N N 15 118.566 0.02 . . . . . . A 169 ILE N . 30583 1 64 . 1 . 1 16 16 GLU H H 1 7.536 0.001 . . . . . . A 170 GLU H . 30583 1 65 . 1 . 1 16 16 GLU C C 13 176.620 0 . . . . . . A 170 GLU C . 30583 1 66 . 1 . 1 16 16 GLU CA C 13 57.120 0 . . . . . . A 170 GLU CA . 30583 1 67 . 1 . 1 16 16 GLU CB C 13 30.510 0 . . . . . . A 170 GLU CB . 30583 1 68 . 1 . 1 16 16 GLU N N 15 119.266 0.06 . . . . . . A 170 GLU N . 30583 1 69 . 1 . 1 17 17 ALA H H 1 7.286 0.001 . . . . . . A 171 ALA H . 30583 1 70 . 1 . 1 17 17 ALA C C 13 177.930 0 . . . . . . A 171 ALA C . 30583 1 71 . 1 . 1 17 17 ALA CA C 13 52.720 0 . . . . . . A 171 ALA CA . 30583 1 72 . 1 . 1 17 17 ALA CB C 13 18.890 0 . . . . . . A 171 ALA CB . 30583 1 73 . 1 . 1 17 17 ALA N N 15 123.796 0.017 . . . . . . A 171 ALA N . 30583 1 74 . 1 . 1 18 18 SER H H 1 8.376 0.004 . . . . . . A 172 SER H . 30583 1 75 . 1 . 1 18 18 SER C C 13 174.400 0 . . . . . . A 172 SER C . 30583 1 76 . 1 . 1 18 18 SER CA C 13 58.620 0 . . . . . . A 172 SER CA . 30583 1 77 . 1 . 1 18 18 SER CB C 13 64.670 0 . . . . . . A 172 SER CB . 30583 1 78 . 1 . 1 18 18 SER N N 15 113.206 0.048 . . . . . . A 172 SER N . 30583 1 79 . 1 . 1 19 19 SER H H 1 7.446 0.001 . . . . . . A 173 SER H . 30583 1 80 . 1 . 1 19 19 SER C C 13 174.370 0 . . . . . . A 173 SER C . 30583 1 81 . 1 . 1 19 19 SER CA C 13 56.310 0 . . . . . . A 173 SER CA . 30583 1 82 . 1 . 1 19 19 SER CB C 13 66.680 0 . . . . . . A 173 SER CB . 30583 1 83 . 1 . 1 19 19 SER N N 15 114.586 0.018 . . . . . . A 173 SER N . 30583 1 84 . 1 . 1 20 20 ARG H H 1 9.016 0.003 . . . . . . A 174 ARG H . 30583 1 85 . 1 . 1 20 20 ARG C C 13 178.360 0 . . . . . . A 174 ARG C . 30583 1 86 . 1 . 1 20 20 ARG CA C 13 60.330 0 . . . . . . A 174 ARG CA . 30583 1 87 . 1 . 1 20 20 ARG CB C 13 29.550 0 . . . . . . A 174 ARG CB . 30583 1 88 . 1 . 1 20 20 ARG N N 15 125.356 0.048 . . . . . . A 174 ARG N . 30583 1 89 . 1 . 1 21 21 GLU H H 1 9.006 0.001 . . . . . . A 175 GLU H . 30583 1 90 . 1 . 1 21 21 GLU C C 13 179.690 0 . . . . . . A 175 GLU C . 30583 1 91 . 1 . 1 21 21 GLU CA C 13 60.370 0 . . . . . . A 175 GLU CA . 30583 1 92 . 1 . 1 21 21 GLU CB C 13 28.770 0 . . . . . . A 175 GLU CB . 30583 1 93 . 1 . 1 21 21 GLU N N 15 119.176 0.046 . . . . . . A 175 GLU N . 30583 1 94 . 1 . 1 22 22 ALA H H 1 7.946 0.001 . . . . . . A 176 ALA H . 30583 1 95 . 1 . 1 22 22 ALA C C 13 181.150 0 . . . . . . A 176 ALA C . 30583 1 96 . 1 . 1 22 22 ALA CA C 13 54.920 0 . . . . . . A 176 ALA CA . 30583 1 97 . 1 . 1 22 22 ALA CB C 13 18.880 0 . . . . . . A 176 ALA CB . 30583 1 98 . 1 . 1 22 22 ALA N N 15 123.896 0.043 . . . . . . A 176 ALA N . 30583 1 99 . 1 . 1 23 23 ARG H H 1 7.746 0.001 . . . . . . A 177 ARG H . 30583 1 100 . 1 . 1 23 23 ARG C C 13 178.590 0 . . . . . . A 177 ARG C . 30583 1 101 . 1 . 1 23 23 ARG CA C 13 61.400 0 . . . . . . A 177 ARG CA . 30583 1 102 . 1 . 1 23 23 ARG CB C 13 30.780 0 . . . . . . A 177 ARG CB . 30583 1 103 . 1 . 1 23 23 ARG N N 15 118.806 0.065 . . . . . . A 177 ARG N . 30583 1 104 . 1 . 1 24 24 GLN H H 1 8.896 0.001 . . . . . . A 178 GLN H . 30583 1 105 . 1 . 1 24 24 GLN C C 13 178.780 0 . . . . . . A 178 GLN C . 30583 1 106 . 1 . 1 24 24 GLN CA C 13 59.430 0 . . . . . . A 178 GLN CA . 30583 1 107 . 1 . 1 24 24 GLN CB C 13 28.500 0 . . . . . . A 178 GLN CB . 30583 1 108 . 1 . 1 24 24 GLN N N 15 119.706 0.058 . . . . . . A 178 GLN N . 30583 1 109 . 1 . 1 25 25 ALA H H 1 7.776 0.001 . . . . . . A 179 ALA H . 30583 1 110 . 1 . 1 25 25 ALA C C 13 180.630 0 . . . . . . A 179 ALA C . 30583 1 111 . 1 . 1 25 25 ALA CA C 13 55.020 0 . . . . . . A 179 ALA CA . 30583 1 112 . 1 . 1 25 25 ALA CB C 13 17.710 0 . . . . . . A 179 ALA CB . 30583 1 113 . 1 . 1 25 25 ALA N N 15 123.046 0.021 . . . . . . A 179 ALA N . 30583 1 114 . 1 . 1 26 26 ILE H H 1 7.776 0.004 . . . . . . A 180 ILE H . 30583 1 115 . 1 . 1 26 26 ILE C C 13 177.510 0 . . . . . . A 180 ILE C . 30583 1 116 . 1 . 1 26 26 ILE CA C 13 64.930 0 . . . . . . A 180 ILE CA . 30583 1 117 . 1 . 1 26 26 ILE CB C 13 38.510 0 . . . . . . A 180 ILE CB . 30583 1 118 . 1 . 1 26 26 ILE N N 15 123.026 0.03 . . . . . . A 180 ILE N . 30583 1 119 . 1 . 1 27 27 LEU H H 1 8.376 0.003 . . . . . . A 181 LEU H . 30583 1 120 . 1 . 1 27 27 LEU C C 13 178.690 0 . . . . . . A 181 LEU C . 30583 1 121 . 1 . 1 27 27 LEU CA C 13 59.250 0 . . . . . . A 181 LEU CA . 30583 1 122 . 1 . 1 27 27 LEU CB C 13 41.830 0 . . . . . . A 181 LEU CB . 30583 1 123 . 1 . 1 27 27 LEU N N 15 123.226 0.063 . . . . . . A 181 LEU N . 30583 1 124 . 1 . 1 28 28 LYS H H 1 8.006 0.001 . . . . . . A 182 LYS H . 30583 1 125 . 1 . 1 28 28 LYS C C 13 178.560 0 . . . . . . A 182 LYS C . 30583 1 126 . 1 . 1 28 28 LYS CA C 13 59.330 0 . . . . . . A 182 LYS CA . 30583 1 127 . 1 . 1 28 28 LYS CB C 13 31.950 0 . . . . . . A 182 LYS CB . 30583 1 128 . 1 . 1 28 28 LYS N N 15 120.056 0.011 . . . . . . A 182 LYS N . 30583 1 129 . 1 . 1 29 29 GLN H H 1 7.926 0.001 . . . . . . A 183 GLN H . 30583 1 130 . 1 . 1 29 29 GLN C C 13 180.660 0 . . . . . . A 183 GLN C . 30583 1 131 . 1 . 1 29 29 GLN CA C 13 59.320 0 . . . . . . A 183 GLN CA . 30583 1 132 . 1 . 1 29 29 GLN CB C 13 28.590 0 . . . . . . A 183 GLN CB . 30583 1 133 . 1 . 1 29 29 GLN N N 15 119.986 0.028 . . . . . . A 183 GLN N . 30583 1 134 . 1 . 1 30 30 GLY H H 1 8.716 0.001 . . . . . . A 184 GLY H . 30583 1 135 . 1 . 1 30 30 GLY C C 13 176.300 0 . . . . . . A 184 GLY C . 30583 1 136 . 1 . 1 30 30 GLY CA C 13 48.250 0 . . . . . . A 184 GLY CA . 30583 1 137 . 1 . 1 30 30 GLY N N 15 108.806 0.063 . . . . . . A 184 GLY N . 30583 1 138 . 1 . 1 31 31 GLN H H 1 8.946 0.001 . . . . . . A 185 GLN H . 30583 1 139 . 1 . 1 31 31 GLN C C 13 179.620 0 . . . . . . A 185 GLN C . 30583 1 140 . 1 . 1 31 31 GLN CA C 13 59.290 0 . . . . . . A 185 GLN CA . 30583 1 141 . 1 . 1 31 31 GLN CB C 13 28.520 0 . . . . . . A 185 GLN CB . 30583 1 142 . 1 . 1 31 31 GLN N N 15 125.996 0.015 . . . . . . A 185 GLN N . 30583 1 143 . 1 . 1 32 32 ASP H H 1 9.076 0.001 . . . . . . A 186 ASP H . 30583 1 144 . 1 . 1 32 32 ASP C C 13 178.900 0 . . . . . . A 186 ASP C . 30583 1 145 . 1 . 1 32 32 ASP CA C 13 57.100 0 . . . . . . A 186 ASP CA . 30583 1 146 . 1 . 1 32 32 ASP CB C 13 39.700 0 . . . . . . A 186 ASP CB . 30583 1 147 . 1 . 1 32 32 ASP N N 15 123.206 0.07 . . . . . . A 186 ASP N . 30583 1 148 . 1 . 1 33 33 GLY H H 1 7.916 0.001 . . . . . . A 187 GLY H . 30583 1 149 . 1 . 1 33 33 GLY C C 13 176.070 0 . . . . . . A 187 GLY C . 30583 1 150 . 1 . 1 33 33 GLY CA C 13 45.920 0 . . . . . . A 187 GLY CA . 30583 1 151 . 1 . 1 33 33 GLY N N 15 105.736 0.01 . . . . . . A 187 GLY N . 30583 1 152 . 1 . 1 34 34 LEU H H 1 7.436 0.001 . . . . . . A 188 LEU H . 30583 1 153 . 1 . 1 34 34 LEU C C 13 178.900 0 . . . . . . A 188 LEU C . 30583 1 154 . 1 . 1 34 34 LEU CA C 13 58.080 0 . . . . . . A 188 LEU CA . 30583 1 155 . 1 . 1 34 34 LEU CB C 13 42.720 0 . . . . . . A 188 LEU CB . 30583 1 156 . 1 . 1 34 34 LEU N N 15 123.306 0.023 . . . . . . A 188 LEU N . 30583 1 157 . 1 . 1 35 35 SER H H 1 7.686 0.001 . . . . . . A 189 SER H . 30583 1 158 . 1 . 1 35 35 SER C C 13 175.620 0 . . . . . . A 189 SER C . 30583 1 159 . 1 . 1 35 35 SER CA C 13 60.530 0 . . . . . . A 189 SER CA . 30583 1 160 . 1 . 1 35 35 SER CB C 13 62.750 0 . . . . . . A 189 SER CB . 30583 1 161 . 1 . 1 35 35 SER N N 15 111.556 0.04 . . . . . . A 189 SER N . 30583 1 162 . 1 . 1 36 36 GLY H H 1 7.836 0.002 . . . . . . A 190 GLY H . 30583 1 163 . 1 . 1 36 36 GLY C C 13 174.210 0 . . . . . . A 190 GLY C . 30583 1 164 . 1 . 1 36 36 GLY CA C 13 45.000 0 . . . . . . A 190 GLY CA . 30583 1 165 . 1 . 1 36 36 GLY N N 15 108.766 0.044 . . . . . . A 190 GLY N . 30583 1 166 . 1 . 1 37 37 VAL H H 1 7.366 0.001 . . . . . . A 191 VAL H . 30583 1 167 . 1 . 1 37 37 VAL C C 13 175.880 0 . . . . . . A 191 VAL C . 30583 1 168 . 1 . 1 37 37 VAL CA C 13 61.520 0 . . . . . . A 191 VAL CA . 30583 1 169 . 1 . 1 37 37 VAL CB C 13 32.950 0 . . . . . . A 191 VAL CB . 30583 1 170 . 1 . 1 37 37 VAL N N 15 122.896 0.056 . . . . . . A 191 VAL N . 30583 1 171 . 1 . 1 38 38 LYS H H 1 8.846 0.001 . . . . . . A 192 LYS H . 30583 1 172 . 1 . 1 38 38 LYS C C 13 178.600 0 . . . . . . A 192 LYS C . 30583 1 173 . 1 . 1 38 38 LYS CA C 13 57.090 0 . . . . . . A 192 LYS CA . 30583 1 174 . 1 . 1 38 38 LYS CB C 13 32.980 0 . . . . . . A 192 LYS CB . 30583 1 175 . 1 . 1 38 38 LYS N N 15 127.456 0.011 . . . . . . A 192 LYS N . 30583 1 176 . 1 . 1 39 39 GLU H H 1 8.856 0.001 . . . . . . A 193 GLU H . 30583 1 177 . 1 . 1 39 39 GLU C C 13 179.220 0 . . . . . . A 193 GLU C . 30583 1 178 . 1 . 1 39 39 GLU CA C 13 61.090 0 . . . . . . A 193 GLU CA . 30583 1 179 . 1 . 1 39 39 GLU CB C 13 29.690 0 . . . . . . A 193 GLU CB . 30583 1 180 . 1 . 1 39 39 GLU N N 15 123.706 0.079 . . . . . . A 193 GLU N . 30583 1 181 . 1 . 1 40 40 THR H H 1 7.886 0.002 . . . . . . A 194 THR H . 30583 1 182 . 1 . 1 40 40 THR C C 13 174.930 0 . . . . . . A 194 THR C . 30583 1 183 . 1 . 1 40 40 THR CA C 13 64.060 0 . . . . . . A 194 THR CA . 30583 1 184 . 1 . 1 40 40 THR CB C 13 68.870 0 . . . . . . A 194 THR CB . 30583 1 185 . 1 . 1 40 40 THR N N 15 107.726 0.014 . . . . . . A 194 THR N . 30583 1 186 . 1 . 1 41 41 ASP H H 1 7.746 0.002 . . . . . . A 195 ASP H . 30583 1 187 . 1 . 1 41 41 ASP C C 13 178.170 0 . . . . . . A 195 ASP C . 30583 1 188 . 1 . 1 41 41 ASP CA C 13 54.920 0 . . . . . . A 195 ASP CA . 30583 1 189 . 1 . 1 41 41 ASP CB C 13 42.940 0 . . . . . . A 195 ASP CB . 30583 1 190 . 1 . 1 41 41 ASP N N 15 119.576 0.023 . . . . . . A 195 ASP N . 30583 1 191 . 1 . 1 42 42 LYS H H 1 7.596 0.001 . . . . . . A 196 LYS H . 30583 1 192 . 1 . 1 42 42 LYS C C 13 178.420 0 . . . . . . A 196 LYS C . 30583 1 193 . 1 . 1 42 42 LYS CA C 13 61.490 0 . . . . . . A 196 LYS CA . 30583 1 194 . 1 . 1 42 42 LYS CB C 13 32.820 0 . . . . . . A 196 LYS CB . 30583 1 195 . 1 . 1 42 42 LYS N N 15 124.486 0.01 . . . . . . A 196 LYS N . 30583 1 196 . 1 . 1 43 43 LYS H H 1 8.336 0.001 . . . . . . A 197 LYS H . 30583 1 197 . 1 . 1 43 43 LYS C C 13 177.790 0 . . . . . . A 197 LYS C . 30583 1 198 . 1 . 1 43 43 LYS CA C 13 58.530 0 . . . . . . A 197 LYS CA . 30583 1 199 . 1 . 1 43 43 LYS CB C 13 30.900 0 . . . . . . A 197 LYS CB . 30583 1 200 . 1 . 1 43 43 LYS N N 15 117.996 0.037 . . . . . . A 197 LYS N . 30583 1 201 . 1 . 1 44 44 TRP H H 1 6.826 0.001 . . . . . . A 198 TRP H . 30583 1 202 . 1 . 1 44 44 TRP C C 13 178.550 0 . . . . . . A 198 TRP C . 30583 1 203 . 1 . 1 44 44 TRP CA C 13 58.180 0 . . . . . . A 198 TRP CA . 30583 1 204 . 1 . 1 44 44 TRP CB C 13 29.750 0 . . . . . . A 198 TRP CB . 30583 1 205 . 1 . 1 44 44 TRP N N 15 122.016 0.015 . . . . . . A 198 TRP N . 30583 1 206 . 1 . 1 45 45 ALA H H 1 7.956 0.004 . . . . . . A 199 ALA H . 30583 1 207 . 1 . 1 45 45 ALA C C 13 179.740 0 . . . . . . A 199 ALA C . 30583 1 208 . 1 . 1 45 45 ALA CA C 13 55.970 0 . . . . . . A 199 ALA CA . 30583 1 209 . 1 . 1 45 45 ALA CB C 13 18.180 0 . . . . . . A 199 ALA CB . 30583 1 210 . 1 . 1 45 45 ALA N N 15 123.196 0.018 . . . . . . A 199 ALA N . 30583 1 211 . 1 . 1 46 46 SER H H 1 8.476 0.001 . . . . . . A 200 SER H . 30583 1 212 . 1 . 1 46 46 SER C C 13 176.590 0 . . . . . . A 200 SER C . 30583 1 213 . 1 . 1 46 46 SER CA C 13 62.520 0 . . . . . . A 200 SER CA . 30583 1 214 . 1 . 1 46 46 SER N N 15 110.526 0.048 . . . . . . A 200 SER N . 30583 1 215 . 1 . 1 47 47 GLN H H 1 7.606 0.001 . . . . . . A 201 GLN H . 30583 1 216 . 1 . 1 47 47 GLN C C 13 179.080 0 . . . . . . A 201 GLN C . 30583 1 217 . 1 . 1 47 47 GLN CA C 13 60.280 0 . . . . . . A 201 GLN CA . 30583 1 218 . 1 . 1 47 47 GLN CB C 13 27.650 0 . . . . . . A 201 GLN CB . 30583 1 219 . 1 . 1 47 47 GLN N N 15 122.416 0.046 . . . . . . A 201 GLN N . 30583 1 220 . 1 . 1 48 48 TYR H H 1 7.736 0.003 . . . . . . A 202 TYR H . 30583 1 221 . 1 . 1 48 48 TYR C C 13 178.430 0 . . . . . . A 202 TYR C . 30583 1 222 . 1 . 1 48 48 TYR CA C 13 63.650 0 . . . . . . A 202 TYR CA . 30583 1 223 . 1 . 1 48 48 TYR CB C 13 38.680 0 . . . . . . A 202 TYR CB . 30583 1 224 . 1 . 1 48 48 TYR N N 15 117.106 0.017 . . . . . . A 202 TYR N . 30583 1 225 . 1 . 1 49 49 LEU H H 1 7.376 0.001 . . . . . . A 203 LEU H . 30583 1 226 . 1 . 1 49 49 LEU C C 13 180.270 0 . . . . . . A 203 LEU C . 30583 1 227 . 1 . 1 49 49 LEU CA C 13 57.140 0 . . . . . . A 203 LEU CA . 30583 1 228 . 1 . 1 49 49 LEU CB C 13 39.700 0 . . . . . . A 203 LEU CB . 30583 1 229 . 1 . 1 49 49 LEU N N 15 116.496 0.041 . . . . . . A 203 LEU N . 30583 1 230 . 1 . 1 50 50 LYS H H 1 8.306 0.001 . . . . . . A 204 LYS H . 30583 1 231 . 1 . 1 50 50 LYS C C 13 179.520 0 . . . . . . A 204 LYS C . 30583 1 232 . 1 . 1 50 50 LYS CA C 13 59.250 0 . . . . . . A 204 LYS CA . 30583 1 233 . 1 . 1 50 50 LYS CB C 13 32.000 0 . . . . . . A 204 LYS CB . 30583 1 234 . 1 . 1 50 50 LYS N N 15 122.996 0.013 . . . . . . A 204 LYS N . 30583 1 235 . 1 . 1 51 51 ILE H H 1 7.896 0.001 . . . . . . A 205 ILE H . 30583 1 236 . 1 . 1 51 51 ILE C C 13 177.320 0 . . . . . . A 205 ILE C . 30583 1 237 . 1 . 1 51 51 ILE CA C 13 65.780 0 . . . . . . A 205 ILE CA . 30583 1 238 . 1 . 1 51 51 ILE CB C 13 37.470 0 . . . . . . A 205 ILE CB . 30583 1 239 . 1 . 1 51 51 ILE N N 15 121.426 0.041 . . . . . . A 205 ILE N . 30583 1 240 . 1 . 1 52 52 MET H H 1 7.786 0.001 . . . . . . A 206 MET H . 30583 1 241 . 1 . 1 52 52 MET C C 13 177.860 0 . . . . . . A 206 MET C . 30583 1 242 . 1 . 1 52 52 MET CA C 13 60.360 0 . . . . . . A 206 MET CA . 30583 1 243 . 1 . 1 52 52 MET CB C 13 33.950 0 . . . . . . A 206 MET CB . 30583 1 244 . 1 . 1 52 52 MET N N 15 118.076 0.013 . . . . . . A 206 MET N . 30583 1 245 . 1 . 1 53 53 GLY H H 1 7.886 0.002 . . . . . . A 207 GLY H . 30583 1 246 . 1 . 1 53 53 GLY C C 13 176.080 0 . . . . . . A 207 GLY C . 30583 1 247 . 1 . 1 53 53 GLY CA C 13 47.260 0 . . . . . . A 207 GLY CA . 30583 1 248 . 1 . 1 53 53 GLY N N 15 104.316 0.029 . . . . . . A 207 GLY N . 30583 1 249 . 1 . 1 54 54 LYS H H 1 7.826 0.002 . . . . . . A 208 LYS H . 30583 1 250 . 1 . 1 54 54 LYS C C 13 179.370 0 . . . . . . A 208 LYS C . 30583 1 251 . 1 . 1 54 54 LYS CA C 13 58.120 0 . . . . . . A 208 LYS CA . 30583 1 252 . 1 . 1 54 54 LYS CB C 13 30.860 0 . . . . . . A 208 LYS CB . 30583 1 253 . 1 . 1 54 54 LYS N N 15 122.056 0.024 . . . . . . A 208 LYS N . 30583 1 254 . 1 . 1 55 55 ILE H H 1 8.326 0.001 . . . . . . A 209 ILE H . 30583 1 255 . 1 . 1 55 55 ILE C C 13 179.670 0 . . . . . . A 209 ILE C . 30583 1 256 . 1 . 1 55 55 ILE CA C 13 64.720 0 . . . . . . A 209 ILE CA . 30583 1 257 . 1 . 1 55 55 ILE CB C 13 38.230 0 . . . . . . A 209 ILE CB . 30583 1 258 . 1 . 1 55 55 ILE N N 15 122.246 0.056 . . . . . . A 209 ILE N . 30583 1 259 . 1 . 1 56 56 LEU H H 1 7.796 0 . . . . . . A 210 LEU H . 30583 1 260 . 1 . 1 56 56 LEU C C 13 178.440 0 . . . . . . A 210 LEU C . 30583 1 261 . 1 . 1 56 56 LEU CA C 13 58.210 0 . . . . . . A 210 LEU CA . 30583 1 262 . 1 . 1 56 56 LEU CB C 13 41.410 0 . . . . . . A 210 LEU CB . 30583 1 263 . 1 . 1 56 56 LEU N N 15 120.546 0.017 . . . . . . A 210 LEU N . 30583 1 264 . 1 . 1 57 57 ASP H H 1 7.806 0.001 . . . . . . A 211 ASP H . 30583 1 265 . 1 . 1 57 57 ASP C C 13 177.310 0 . . . . . . A 211 ASP C . 30583 1 266 . 1 . 1 57 57 ASP CA C 13 56.280 0 . . . . . . A 211 ASP CA . 30583 1 267 . 1 . 1 57 57 ASP CB C 13 42.680 0 . . . . . . A 211 ASP CB . 30583 1 268 . 1 . 1 57 57 ASP N N 15 117.656 0.038 . . . . . . A 211 ASP N . 30583 1 269 . 1 . 1 58 58 GLN H H 1 8.896 0.001 . . . . . . A 212 GLN H . 30583 1 270 . 1 . 1 58 58 GLN C C 13 176.920 0 . . . . . . A 212 GLN C . 30583 1 271 . 1 . 1 58 58 GLN CA C 13 56.670 0 . . . . . . A 212 GLN CA . 30583 1 272 . 1 . 1 58 58 GLN CB C 13 30.800 0 . . . . . . A 212 GLN CB . 30583 1 273 . 1 . 1 58 58 GLN N N 15 117.116 0.021 . . . . . . A 212 GLN N . 30583 1 274 . 1 . 1 59 59 GLY H H 1 8.046 0.002 . . . . . . A 213 GLY H . 30583 1 275 . 1 . 1 59 59 GLY C C 13 174.750 0 . . . . . . A 213 GLY C . 30583 1 276 . 1 . 1 59 59 GLY CA C 13 45.050 0 . . . . . . A 213 GLY CA . 30583 1 277 . 1 . 1 59 59 GLY N N 15 109.626 0.022 . . . . . . A 213 GLY N . 30583 1 278 . 1 . 1 60 60 GLU H H 1 8.516 0.002 . . . . . . A 214 GLU H . 30583 1 279 . 1 . 1 60 60 GLU C C 13 176.990 0 . . . . . . A 214 GLU C . 30583 1 280 . 1 . 1 60 60 GLU CA C 13 58.330 0 . . . . . . A 214 GLU CA . 30583 1 281 . 1 . 1 60 60 GLU CB C 13 29.940 0 . . . . . . A 214 GLU CB . 30583 1 282 . 1 . 1 60 60 GLU N N 15 116.416 0.028 . . . . . . A 214 GLU N . 30583 1 283 . 1 . 1 61 61 ASP H H 1 8.606 0.002 . . . . . . A 215 ASP H . 30583 1 284 . 1 . 1 61 61 ASP C C 13 176.770 0 . . . . . . A 215 ASP C . 30583 1 285 . 1 . 1 61 61 ASP CA C 13 54.830 0 . . . . . . A 215 ASP CA . 30583 1 286 . 1 . 1 61 61 ASP CB C 13 40.650 0 . . . . . . A 215 ASP CB . 30583 1 287 . 1 . 1 61 61 ASP N N 15 116.896 0.024 . . . . . . A 215 ASP N . 30583 1 288 . 1 . 1 62 62 PHE H H 1 7.786 0.003 . . . . . . A 216 PHE H . 30583 1 289 . 1 . 1 62 62 PHE C C 13 173.220 0 . . . . . . A 216 PHE C . 30583 1 290 . 1 . 1 62 62 PHE CA C 13 63.700 0 . . . . . . A 216 PHE CA . 30583 1 291 . 1 . 1 62 62 PHE CB C 13 37.290 0 . . . . . . A 216 PHE CB . 30583 1 292 . 1 . 1 62 62 PHE N N 15 120.606 0.046 . . . . . . A 216 PHE N . 30583 1 293 . 1 . 1 64 64 ALA H H 1 7.616 0.001 . . . . . . A 218 ALA H . 30583 1 294 . 1 . 1 64 64 ALA C C 13 181.080 0 . . . . . . A 218 ALA C . 30583 1 295 . 1 . 1 64 64 ALA CA C 13 55.190 0 . . . . . . A 218 ALA CA . 30583 1 296 . 1 . 1 64 64 ALA CB C 13 18.410 0 . . . . . . A 218 ALA CB . 30583 1 297 . 1 . 1 64 64 ALA N N 15 119.086 0.02 . . . . . . A 218 ALA N . 30583 1 298 . 1 . 1 65 65 SER H H 1 7.996 0.001 . . . . . . A 219 SER H . 30583 1 299 . 1 . 1 65 65 SER C C 13 177.170 0 . . . . . . A 219 SER C . 30583 1 300 . 1 . 1 65 65 SER CA C 13 61.460 0 . . . . . . A 219 SER CA . 30583 1 301 . 1 . 1 65 65 SER CB C 13 62.770 0 . . . . . . A 219 SER CB . 30583 1 302 . 1 . 1 65 65 SER N N 15 116.766 0.049 . . . . . . A 219 SER N . 30583 1 303 . 1 . 1 66 66 GLU H H 1 8.176 0.001 . . . . . . A 220 GLU H . 30583 1 304 . 1 . 1 66 66 GLU C C 13 178.310 0 . . . . . . A 220 GLU C . 30583 1 305 . 1 . 1 66 66 GLU CA C 13 57.960 0 . . . . . . A 220 GLU CA . 30583 1 306 . 1 . 1 66 66 GLU CB C 13 29.840 0 . . . . . . A 220 GLU CB . 30583 1 307 . 1 . 1 66 66 GLU N N 15 126.206 0.053 . . . . . . A 220 GLU N . 30583 1 308 . 1 . 1 67 67 LEU H H 1 8.386 0.001 . . . . . . A 221 LEU H . 30583 1 309 . 1 . 1 67 67 LEU C C 13 180.000 0 . . . . . . A 221 LEU C . 30583 1 310 . 1 . 1 67 67 LEU CA C 13 58.300 0 . . . . . . A 221 LEU CA . 30583 1 311 . 1 . 1 67 67 LEU CB C 13 41.950 0 . . . . . . A 221 LEU CB . 30583 1 312 . 1 . 1 67 67 LEU N N 15 122.046 0.013 . . . . . . A 221 LEU N . 30583 1 313 . 1 . 1 68 68 ALA H H 1 7.466 0.002 . . . . . . A 222 ALA H . 30583 1 314 . 1 . 1 68 68 ALA C C 13 179.720 0 . . . . . . A 222 ALA C . 30583 1 315 . 1 . 1 68 68 ALA CA C 13 54.960 0 . . . . . . A 222 ALA CA . 30583 1 316 . 1 . 1 68 68 ALA CB C 13 17.720 0 . . . . . . A 222 ALA CB . 30583 1 317 . 1 . 1 68 68 ALA N N 15 122.336 0.031 . . . . . . A 222 ALA N . 30583 1 318 . 1 . 1 69 69 ARG H H 1 7.856 0.003 . . . . . . A 223 ARG H . 30583 1 319 . 1 . 1 69 69 ARG C C 13 179.760 0 . . . . . . A 223 ARG C . 30583 1 320 . 1 . 1 69 69 ARG CA C 13 59.830 0 . . . . . . A 223 ARG CA . 30583 1 321 . 1 . 1 69 69 ARG CB C 13 31.610 0 . . . . . . A 223 ARG CB . 30583 1 322 . 1 . 1 69 69 ARG N N 15 120.226 0.107 . . . . . . A 223 ARG N . 30583 1 323 . 1 . 1 70 70 ILE H H 1 8.706 0.001 . . . . . . A 224 ILE H . 30583 1 324 . 1 . 1 70 70 ILE C C 13 177.890 0 . . . . . . A 224 ILE C . 30583 1 325 . 1 . 1 70 70 ILE CA C 13 64.850 0 . . . . . . A 224 ILE CA . 30583 1 326 . 1 . 1 70 70 ILE CB C 13 37.530 0 . . . . . . A 224 ILE CB . 30583 1 327 . 1 . 1 70 70 ILE N N 15 119.756 0.064 . . . . . . A 224 ILE N . 30583 1 328 . 1 . 1 71 71 SER H H 1 8.206 0.002 . . . . . . A 225 SER H . 30583 1 329 . 1 . 1 71 71 SER C C 13 176.220 0 . . . . . . A 225 SER C . 30583 1 330 . 1 . 1 71 71 SER CA C 13 62.660 0 . . . . . . A 225 SER CA . 30583 1 331 . 1 . 1 71 71 SER N N 15 115.996 0.041 . . . . . . A 225 SER N . 30583 1 332 . 1 . 1 72 72 LYS H H 1 7.236 0.001 . . . . . . A 226 LYS H . 30583 1 333 . 1 . 1 72 72 LYS C C 13 178.760 0 . . . . . . A 226 LYS C . 30583 1 334 . 1 . 1 72 72 LYS CA C 13 58.210 0 . . . . . . A 226 LYS CA . 30583 1 335 . 1 . 1 72 72 LYS CB C 13 32.030 0 . . . . . . A 226 LYS CB . 30583 1 336 . 1 . 1 72 72 LYS N N 15 119.946 0.042 . . . . . . A 226 LYS N . 30583 1 337 . 1 . 1 73 73 LEU H H 1 7.526 0.001 . . . . . . A 227 LEU H . 30583 1 338 . 1 . 1 73 73 LEU C C 13 179.440 0 . . . . . . A 227 LEU C . 30583 1 339 . 1 . 1 73 73 LEU CA C 13 57.320 0 . . . . . . A 227 LEU CA . 30583 1 340 . 1 . 1 73 73 LEU CB C 13 42.750 0 . . . . . . A 227 LEU CB . 30583 1 341 . 1 . 1 73 73 LEU N N 15 120.436 0.033 . . . . . . A 227 LEU N . 30583 1 342 . 1 . 1 74 74 ILE H H 1 7.766 0.002 . . . . . . A 228 ILE H . 30583 1 343 . 1 . 1 74 74 ILE C C 13 175.960 0 . . . . . . A 228 ILE C . 30583 1 344 . 1 . 1 74 74 ILE CA C 13 63.910 0 . . . . . . A 228 ILE CA . 30583 1 345 . 1 . 1 74 74 ILE CB C 13 38.530 0 . . . . . . A 228 ILE CB . 30583 1 346 . 1 . 1 74 74 ILE N N 15 116.926 0.042 . . . . . . A 228 ILE N . 30583 1 347 . 1 . 1 75 75 GLU H H 1 7.346 0.001 . . . . . . A 229 GLU H . 30583 1 348 . 1 . 1 75 75 GLU C C 13 177.090 0 . . . . . . A 229 GLU C . 30583 1 349 . 1 . 1 75 75 GLU CA C 13 57.060 0 . . . . . . A 229 GLU CA . 30583 1 350 . 1 . 1 75 75 GLU CB C 13 30.090 0 . . . . . . A 229 GLU CB . 30583 1 351 . 1 . 1 75 75 GLU N N 15 119.746 0.068 . . . . . . A 229 GLU N . 30583 1 352 . 1 . 1 76 76 ASN H H 1 7.736 0.001 . . . . . . A 230 ASN H . 30583 1 353 . 1 . 1 76 76 ASN C C 13 175.110 0 . . . . . . A 230 ASN C . 30583 1 354 . 1 . 1 76 76 ASN CA C 13 53.600 0 . . . . . . A 230 ASN CA . 30583 1 355 . 1 . 1 76 76 ASN CB C 13 39.610 0 . . . . . . A 230 ASN CB . 30583 1 356 . 1 . 1 76 76 ASN N N 15 118.526 0.018 . . . . . . A 230 ASN N . 30583 1 357 . 1 . 1 77 77 LYS H H 1 8.346 0.002 . . . . . . A 231 LYS H . 30583 1 358 . 1 . 1 77 77 LYS C C 13 176.700 0 . . . . . . A 231 LYS C . 30583 1 359 . 1 . 1 77 77 LYS CA C 13 57.090 0 . . . . . . A 231 LYS CA . 30583 1 360 . 1 . 1 77 77 LYS CB C 13 31.780 0 . . . . . . A 231 LYS CB . 30583 1 361 . 1 . 1 77 77 LYS N N 15 121.306 0.068 . . . . . . A 231 LYS N . 30583 1 362 . 1 . 1 78 78 MET H H 1 8.176 0.001 . . . . . . A 232 MET H . 30583 1 363 . 1 . 1 78 78 MET C C 13 175.410 0 . . . . . . A 232 MET C . 30583 1 364 . 1 . 1 78 78 MET CA C 13 55.300 0 . . . . . . A 232 MET CA . 30583 1 365 . 1 . 1 78 78 MET CB C 13 34.410 0 . . . . . . A 232 MET CB . 30583 1 366 . 1 . 1 78 78 MET N N 15 120.886 0.039 . . . . . . A 232 MET N . 30583 1 367 . 1 . 1 79 79 SER H H 1 8.416 0.001 . . . . . . A 233 SER H . 30583 1 368 . 1 . 1 79 79 SER C C 13 174.950 0 . . . . . . A 233 SER C . 30583 1 369 . 1 . 1 79 79 SER CA C 13 58.200 0 . . . . . . A 233 SER CA . 30583 1 370 . 1 . 1 79 79 SER CB C 13 64.010 0 . . . . . . A 233 SER CB . 30583 1 371 . 1 . 1 79 79 SER N N 15 116.616 0.023 . . . . . . A 233 SER N . 30583 1 372 . 1 . 1 80 80 GLU H H 1 8.806 0.001 . . . . . . A 234 GLU H . 30583 1 373 . 1 . 1 80 80 GLU C C 13 178.880 0 . . . . . . A 234 GLU C . 30583 1 374 . 1 . 1 80 80 GLU CA C 13 59.140 0 . . . . . . A 234 GLU CA . 30583 1 375 . 1 . 1 80 80 GLU CB C 13 29.690 0 . . . . . . A 234 GLU CB . 30583 1 376 . 1 . 1 80 80 GLU N N 15 123.346 0.032 . . . . . . A 234 GLU N . 30583 1 377 . 1 . 1 81 81 GLY H H 1 8.716 0.002 . . . . . . A 235 GLY H . 30583 1 378 . 1 . 1 81 81 GLY C C 13 176.260 0 . . . . . . A 235 GLY C . 30583 1 379 . 1 . 1 81 81 GLY CA C 13 46.590 0 . . . . . . A 235 GLY CA . 30583 1 380 . 1 . 1 81 81 GLY N N 15 108.446 0.012 . . . . . . A 235 GLY N . 30583 1 381 . 1 . 1 82 82 LYS H H 1 7.696 0.001 . . . . . . A 236 LYS H . 30583 1 382 . 1 . 1 82 82 LYS C C 13 178.250 0 . . . . . . A 236 LYS C . 30583 1 383 . 1 . 1 82 82 LYS CA C 13 57.290 0 . . . . . . A 236 LYS CA . 30583 1 384 . 1 . 1 82 82 LYS CB C 13 32.100 0 . . . . . . A 236 LYS CB . 30583 1 385 . 1 . 1 82 82 LYS N N 15 122.506 0.017 . . . . . . A 236 LYS N . 30583 1 386 . 1 . 1 83 83 LYS H H 1 8.116 0.003 . . . . . . A 237 LYS H . 30583 1 387 . 1 . 1 83 83 LYS C C 13 178.290 0 . . . . . . A 237 LYS C . 30583 1 388 . 1 . 1 83 83 LYS CA C 13 60.460 0 . . . . . . A 237 LYS CA . 30583 1 389 . 1 . 1 83 83 LYS CB C 13 32.060 0 . . . . . . A 237 LYS CB . 30583 1 390 . 1 . 1 83 83 LYS N N 15 121.886 0.063 . . . . . . A 237 LYS N . 30583 1 391 . 1 . 1 84 84 GLU H H 1 8.376 0.001 . . . . . . A 238 GLU H . 30583 1 392 . 1 . 1 84 84 GLU C C 13 179.120 0 . . . . . . A 238 GLU C . 30583 1 393 . 1 . 1 84 84 GLU CA C 13 59.820 0 . . . . . . A 238 GLU CA . 30583 1 394 . 1 . 1 84 84 GLU CB C 13 29.460 0 . . . . . . A 238 GLU CB . 30583 1 395 . 1 . 1 84 84 GLU N N 15 119.066 0.011 . . . . . . A 238 GLU N . 30583 1 396 . 1 . 1 85 85 GLU H H 1 7.696 0.001 . . . . . . A 239 GLU H . 30583 1 397 . 1 . 1 85 85 GLU C C 13 179.560 0 . . . . . . A 239 GLU C . 30583 1 398 . 1 . 1 85 85 GLU CA C 13 59.870 0 . . . . . . A 239 GLU CA . 30583 1 399 . 1 . 1 85 85 GLU CB C 13 29.700 0 . . . . . . A 239 GLU CB . 30583 1 400 . 1 . 1 85 85 GLU N N 15 119.956 0.039 . . . . . . A 239 GLU N . 30583 1 401 . 1 . 1 86 86 LEU H H 1 8.036 0.001 . . . . . . A 240 LEU H . 30583 1 402 . 1 . 1 86 86 LEU C C 13 179.030 0 . . . . . . A 240 LEU C . 30583 1 403 . 1 . 1 86 86 LEU CA C 13 58.210 0 . . . . . . A 240 LEU CA . 30583 1 404 . 1 . 1 86 86 LEU CB C 13 41.750 0 . . . . . . A 240 LEU CB . 30583 1 405 . 1 . 1 86 86 LEU N N 15 121.066 0.022 . . . . . . A 240 LEU N . 30583 1 406 . 1 . 1 87 87 GLN H H 1 8.646 0.001 . . . . . . A 241 GLN H . 30583 1 407 . 1 . 1 87 87 GLN C C 13 178.480 0 . . . . . . A 241 GLN C . 30583 1 408 . 1 . 1 87 87 GLN CA C 13 58.640 0 . . . . . . A 241 GLN CA . 30583 1 409 . 1 . 1 87 87 GLN CB C 13 28.630 0 . . . . . . A 241 GLN CB . 30583 1 410 . 1 . 1 87 87 GLN N N 15 120.046 0.033 . . . . . . A 241 GLN N . 30583 1 411 . 1 . 1 88 88 ARG H H 1 7.946 0.001 . . . . . . A 242 ARG H . 30583 1 412 . 1 . 1 88 88 ARG C C 13 178.480 0 . . . . . . A 242 ARG C . 30583 1 413 . 1 . 1 88 88 ARG CA C 13 60.080 0 . . . . . . A 242 ARG CA . 30583 1 414 . 1 . 1 88 88 ARG CB C 13 29.560 0 . . . . . . A 242 ARG CB . 30583 1 415 . 1 . 1 88 88 ARG N N 15 119.586 0.018 . . . . . . A 242 ARG N . 30583 1 416 . 1 . 1 89 89 SER H H 1 7.846 0.001 . . . . . . A 243 SER H . 30583 1 417 . 1 . 1 89 89 SER C C 13 176.510 0 . . . . . . A 243 SER C . 30583 1 418 . 1 . 1 89 89 SER CA C 13 63.610 0 . . . . . . A 243 SER CA . 30583 1 419 . 1 . 1 89 89 SER N N 15 115.236 0.062 . . . . . . A 243 SER N . 30583 1 420 . 1 . 1 90 90 LEU H H 1 8.146 0.004 . . . . . . A 244 LEU H . 30583 1 421 . 1 . 1 90 90 LEU C C 13 179.090 0 . . . . . . A 244 LEU C . 30583 1 422 . 1 . 1 90 90 LEU CA C 13 58.310 0 . . . . . . A 244 LEU CA . 30583 1 423 . 1 . 1 90 90 LEU CB C 13 41.710 0 . . . . . . A 244 LEU CB . 30583 1 424 . 1 . 1 90 90 LEU N N 15 123.416 0.093 . . . . . . A 244 LEU N . 30583 1 425 . 1 . 1 91 91 ASN H H 1 8.206 0.002 . . . . . . A 245 ASN H . 30583 1 426 . 1 . 1 91 91 ASN C C 13 178.180 0 . . . . . . A 245 ASN C . 30583 1 427 . 1 . 1 91 91 ASN CA C 13 56.020 0 . . . . . . A 245 ASN CA . 30583 1 428 . 1 . 1 91 91 ASN CB C 13 37.390 0 . . . . . . A 245 ASN CB . 30583 1 429 . 1 . 1 91 91 ASN N N 15 121.366 0.027 . . . . . . A 245 ASN N . 30583 1 430 . 1 . 1 92 92 ILE H H 1 7.966 0.001 . . . . . . A 246 ILE H . 30583 1 431 . 1 . 1 92 92 ILE C C 13 177.820 0 . . . . . . A 246 ILE C . 30583 1 432 . 1 . 1 92 92 ILE CA C 13 66.050 0 . . . . . . A 246 ILE CA . 30583 1 433 . 1 . 1 92 92 ILE CB C 13 38.350 0 . . . . . . A 246 ILE CB . 30583 1 434 . 1 . 1 92 92 ILE N N 15 124.026 0.029 . . . . . . A 246 ILE N . 30583 1 435 . 1 . 1 93 93 LEU H H 1 7.886 0.001 . . . . . . A 247 LEU H . 30583 1 436 . 1 . 1 93 93 LEU C C 13 180.410 0 . . . . . . A 247 LEU C . 30583 1 437 . 1 . 1 93 93 LEU CA C 13 59.090 0 . . . . . . A 247 LEU CA . 30583 1 438 . 1 . 1 93 93 LEU CB C 13 42.840 0 . . . . . . A 247 LEU CB . 30583 1 439 . 1 . 1 93 93 LEU N N 15 119.076 0.01 . . . . . . A 247 LEU N . 30583 1 440 . 1 . 1 94 94 THR H H 1 7.986 0.001 . . . . . . A 248 THR H . 30583 1 441 . 1 . 1 94 94 THR C C 13 175.700 0 . . . . . . A 248 THR C . 30583 1 442 . 1 . 1 94 94 THR CA C 13 66.210 0 . . . . . . A 248 THR CA . 30583 1 443 . 1 . 1 94 94 THR CB C 13 69.130 0 . . . . . . A 248 THR CB . 30583 1 444 . 1 . 1 94 94 THR N N 15 114.016 0.041 . . . . . . A 248 THR N . 30583 1 445 . 1 . 1 95 95 ALA H H 1 7.756 0.002 . . . . . . A 249 ALA H . 30583 1 446 . 1 . 1 95 95 ALA C C 13 178.150 0 . . . . . . A 249 ALA C . 30583 1 447 . 1 . 1 95 95 ALA CA C 13 54.060 0 . . . . . . A 249 ALA CA . 30583 1 448 . 1 . 1 95 95 ALA CB C 13 18.780 0 . . . . . . A 249 ALA CB . 30583 1 449 . 1 . 1 95 95 ALA N N 15 124.736 0.05 . . . . . . A 249 ALA N . 30583 1 450 . 1 . 1 96 96 PHE H H 1 7.796 0.001 . . . . . . A 250 PHE H . 30583 1 451 . 1 . 1 96 96 PHE C C 13 173.920 0 . . . . . . A 250 PHE C . 30583 1 452 . 1 . 1 96 96 PHE CA C 13 58.150 0 . . . . . . A 250 PHE CA . 30583 1 453 . 1 . 1 96 96 PHE CB C 13 38.440 0 . . . . . . A 250 PHE CB . 30583 1 454 . 1 . 1 96 96 PHE N N 15 114.826 0.066 . . . . . . A 250 PHE N . 30583 1 455 . 1 . 1 97 97 ARG H H 1 7.326 0.002 . . . . . . A 251 ARG H . 30583 1 456 . 1 . 1 97 97 ARG C C 13 175.600 0 . . . . . . A 251 ARG C . 30583 1 457 . 1 . 1 97 97 ARG CA C 13 55.960 0 . . . . . . A 251 ARG CA . 30583 1 458 . 1 . 1 97 97 ARG CB C 13 31.510 0 . . . . . . A 251 ARG CB . 30583 1 459 . 1 . 1 97 97 ARG N N 15 120.146 0.061 . . . . . . A 251 ARG N . 30583 1 460 . 1 . 1 98 98 LYS H H 1 8.566 0.001 . . . . . . A 252 LYS H . 30583 1 461 . 1 . 1 98 98 LYS C C 13 176.890 0 . . . . . . A 252 LYS C . 30583 1 462 . 1 . 1 98 98 LYS CA C 13 56.310 0 . . . . . . A 252 LYS CA . 30583 1 463 . 1 . 1 98 98 LYS CB C 13 32.970 0 . . . . . . A 252 LYS CB . 30583 1 464 . 1 . 1 98 98 LYS N N 15 125.126 0.054 . . . . . . A 252 LYS N . 30583 1 465 . 1 . 1 99 99 LYS H H 1 8.806 0.002 . . . . . . A 253 LYS H . 30583 1 466 . 1 . 1 99 99 LYS C C 13 177.470 0 . . . . . . A 253 LYS C . 30583 1 467 . 1 . 1 99 99 LYS CA C 13 57.030 0 . . . . . . A 253 LYS CA . 30583 1 468 . 1 . 1 99 99 LYS CB C 13 33.040 0 . . . . . . A 253 LYS CB . 30583 1 469 . 1 . 1 99 99 LYS N N 15 125.446 0.024 . . . . . . A 253 LYS N . 30583 1 470 . 1 . 1 100 100 GLY H H 1 8.546 0.002 . . . . . . A 254 GLY H . 30583 1 471 . 1 . 1 100 100 GLY C C 13 173.930 0 . . . . . . A 254 GLY C . 30583 1 472 . 1 . 1 100 100 GLY CA C 13 45.100 0 . . . . . . A 254 GLY CA . 30583 1 473 . 1 . 1 100 100 GLY N N 15 111.386 0.049 . . . . . . A 254 GLY N . 30583 1 474 . 1 . 1 101 101 ALA H H 1 8.156 0.004 . . . . . . A 255 ALA H . 30583 1 475 . 1 . 1 101 101 ALA C C 13 177.950 0 . . . . . . A 255 ALA C . 30583 1 476 . 1 . 1 101 101 ALA CA C 13 52.680 0 . . . . . . A 255 ALA CA . 30583 1 477 . 1 . 1 101 101 ALA CB C 13 19.650 0 . . . . . . A 255 ALA CB . 30583 1 478 . 1 . 1 101 101 ALA N N 15 124.426 0.092 . . . . . . A 255 ALA N . 30583 1 479 . 1 . 1 102 102 GLU H H 1 8.516 0.002 . . . . . . A 256 GLU H . 30583 1 480 . 1 . 1 102 102 GLU C C 13 176.530 0 . . . . . . A 256 GLU C . 30583 1 481 . 1 . 1 102 102 GLU CA C 13 57.030 0 . . . . . . A 256 GLU CA . 30583 1 482 . 1 . 1 102 102 GLU CB C 13 29.870 0 . . . . . . A 256 GLU CB . 30583 1 483 . 1 . 1 102 102 GLU N N 15 120.766 0.057 . . . . . . A 256 GLU N . 30583 1 484 . 1 . 1 103 103 LYS H H 1 8.256 0.002 . . . . . . A 257 LYS H . 30583 1 485 . 1 . 1 103 103 LYS C C 13 176.310 0 . . . . . . A 257 LYS C . 30583 1 486 . 1 . 1 103 103 LYS CA C 13 56.280 0 . . . . . . A 257 LYS CA . 30583 1 487 . 1 . 1 103 103 LYS CB C 13 33.080 0 . . . . . . A 257 LYS CB . 30583 1 488 . 1 . 1 103 103 LYS N N 15 122.256 0.048 . . . . . . A 257 LYS N . 30583 1 489 . 1 . 1 104 104 GLU H H 1 8.396 0.004 . . . . . . A 258 GLU H . 30583 1 490 . 1 . 1 104 104 GLU C C 13 176.190 0 . . . . . . A 258 GLU C . 30583 1 491 . 1 . 1 104 104 GLU CA C 13 56.490 0 . . . . . . A 258 GLU CA . 30583 1 492 . 1 . 1 104 104 GLU CB C 13 30.730 0 . . . . . . A 258 GLU CB . 30583 1 493 . 1 . 1 104 104 GLU N N 15 123.166 0.09 . . . . . . A 258 GLU N . 30583 1 494 . 1 . 1 105 105 GLU H H 1 8.346 0.003 . . . . . . A 259 GLU H . 30583 1 495 . 1 . 1 105 105 GLU C C 13 175.280 0 . . . . . . A 259 GLU C . 30583 1 496 . 1 . 1 105 105 GLU CA C 13 56.170 0 . . . . . . A 259 GLU CA . 30583 1 497 . 1 . 1 105 105 GLU CB C 13 30.730 0 . . . . . . A 259 GLU CB . 30583 1 498 . 1 . 1 105 105 GLU N N 15 123.356 0.07 . . . . . . A 259 GLU N . 30583 1 499 . 1 . 1 106 106 LEU H H 1 7.876 0.001 . . . . . . A 260 LEU H . 30583 1 500 . 1 . 1 106 106 LEU C C 13 182.490 0 . . . . . . A 260 LEU C . 30583 1 501 . 1 . 1 106 106 LEU CA C 13 56.770 0 . . . . . . A 260 LEU CA . 30583 1 502 . 1 . 1 106 106 LEU CB C 13 43.640 0 . . . . . . A 260 LEU CB . 30583 1 503 . 1 . 1 106 106 LEU N N 15 129.966 0.035 . . . . . . A 260 LEU N . 30583 1 stop_ save_