################################### # 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 19982 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' 1 $sample_1 . 19982 1 3 '3D HNCACB' 1 $sample_1 . 19982 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 19982 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 4 4 TRP H H 1 7.052 0.020 . 1 . . . . 4 TRP H . 19982 1 2 . 1 1 4 4 TRP C C 13 176.610 0.3 . 1 . . . . 4 TRP C . 19982 1 3 . 1 1 4 4 TRP CA C 13 57.476 0.3 . 1 . . . . 4 TRP CA . 19982 1 4 . 1 1 4 4 TRP N N 15 119.900 0.3 . 1 . . . . 4 TRP N . 19982 1 5 . 1 1 5 5 GLU H H 1 8.363 0.020 . 1 . . . . 5 GLU H . 19982 1 6 . 1 1 5 5 GLU CA C 13 56.813 0.3 . 1 . . . . 5 GLU CA . 19982 1 7 . 1 1 5 5 GLU N N 15 120.083 0.3 . 1 . . . . 5 GLU N . 19982 1 8 . 1 1 6 6 ASP H H 1 8.009 0.020 . 1 . . . . 6 ASP H . 19982 1 9 . 1 1 6 6 ASP CA C 13 54.845 0.3 . 1 . . . . 6 ASP CA . 19982 1 10 . 1 1 6 6 ASP N N 15 119.925 0.3 . 1 . . . . 6 ASP N . 19982 1 11 . 1 1 7 7 SER H H 1 7.957 0.020 . 1 . . . . 7 SER H . 19982 1 12 . 1 1 7 7 SER C C 13 175.182 0.3 . 1 . . . . 7 SER C . 19982 1 13 . 1 1 7 7 SER CA C 13 58.718 0.3 . 1 . . . . 7 SER CA . 19982 1 14 . 1 1 7 7 SER N N 15 114.890 0.3 . 1 . . . . 7 SER N . 19982 1 15 . 1 1 8 8 MET H H 1 8.208 0.020 . 1 . . . . 8 MET H . 19982 1 16 . 1 1 8 8 MET CA C 13 55.759 0.3 . 1 . . . . 8 MET CA . 19982 1 17 . 1 1 8 8 MET CB C 13 32.337 0.3 . 1 . . . . 8 MET CB . 19982 1 18 . 1 1 8 8 MET N N 15 121.561 0.3 . 1 . . . . 8 MET N . 19982 1 19 . 1 1 9 9 ASP H H 1 8.154 0.020 . 1 . . . . 9 ASP H . 19982 1 20 . 1 1 9 9 ASP C C 13 176.889 0.3 . 1 . . . . 9 ASP C . 19982 1 21 . 1 1 9 9 ASP CA C 13 54.601 0.3 . 1 . . . . 9 ASP CA . 19982 1 22 . 1 1 9 9 ASP CB C 13 40.873 0.3 . 1 . . . . 9 ASP CB . 19982 1 23 . 1 1 9 9 ASP N N 15 120.901 0.3 . 1 . . . . 9 ASP N . 19982 1 24 . 1 1 10 10 MET H H 1 8.054 0.020 . 1 . . . . 10 MET H . 19982 1 25 . 1 1 10 10 MET C C 13 176.377 0.3 . 1 . . . . 10 MET C . 19982 1 26 . 1 1 10 10 MET CA C 13 55.709 0.3 . 1 . . . . 10 MET CA . 19982 1 27 . 1 1 10 10 MET CB C 13 32.536 0.3 . 1 . . . . 10 MET CB . 19982 1 28 . 1 1 10 10 MET N N 15 120.045 0.3 . 1 . . . . 10 MET N . 19982 1 29 . 1 1 11 11 ASP H H 1 8.224 0.020 . 1 . . . . 11 ASP H . 19982 1 30 . 1 1 11 11 ASP C C 13 176.572 0.3 . 1 . . . . 11 ASP C . 19982 1 31 . 1 1 11 11 ASP CA C 13 54.672 0.3 . 1 . . . . 11 ASP CA . 19982 1 32 . 1 1 11 11 ASP CB C 13 40.873 0.3 . 1 . . . . 11 ASP CB . 19982 1 33 . 1 1 11 11 ASP N N 15 120.826 0.3 . 1 . . . . 11 ASP N . 19982 1 34 . 1 1 12 12 MET H H 1 8.083 0.020 . 1 . . . . 12 MET H . 19982 1 35 . 1 1 12 12 MET C C 13 176.621 0.3 . 1 . . . . 12 MET C . 19982 1 36 . 1 1 12 12 MET CA C 13 55.122 0.3 . 1 . . . . 12 MET CA . 19982 1 37 . 1 1 12 12 MET CB C 13 32.492 0.3 . 1 . . . . 12 MET CB . 19982 1 38 . 1 1 12 12 MET N N 15 120.339 0.3 . 1 . . . . 12 MET N . 19982 1 39 . 1 1 13 13 SER H H 1 8.197 0.020 . 1 . . . . 13 SER H . 19982 1 40 . 1 1 13 13 SER C C 13 173.158 0.3 . 1 . . . . 13 SER C . 19982 1 41 . 1 1 13 13 SER CA C 13 56.871 0.3 . 1 . . . . 13 SER CA . 19982 1 42 . 1 1 13 13 SER CB C 13 63.130 0.3 . 1 . . . . 13 SER CB . 19982 1 43 . 1 1 13 13 SER N N 15 117.940 0.3 . 1 . . . . 13 SER N . 19982 1 44 . 1 1 15 15 LEU H H 1 8.168 0.020 . 1 . . . . 15 LEU H . 19982 1 45 . 1 1 15 15 LEU C C 13 177.402 0.3 . 1 . . . . 15 LEU C . 19982 1 46 . 1 1 15 15 LEU CA C 13 54.991 0.3 . 1 . . . . 15 LEU CA . 19982 1 47 . 1 1 15 15 LEU CB C 13 41.494 0.3 . 1 . . . . 15 LEU CB . 19982 1 48 . 1 1 15 15 LEU N N 15 121.859 0.3 . 1 . . . . 15 LEU N . 19982 1 49 . 1 1 16 16 ARG H H 1 8.156 0.020 . 1 . . . . 16 ARG H . 19982 1 50 . 1 1 16 16 ARG C C 13 174.475 0.3 . 1 . . . . 16 ARG C . 19982 1 51 . 1 1 16 16 ARG CA C 13 53.608 0.3 . 1 . . . . 16 ARG CA . 19982 1 52 . 1 1 16 16 ARG CB C 13 29.666 0.3 . 1 . . . . 16 ARG CB . 19982 1 53 . 1 1 16 16 ARG N N 15 122.563 0.3 . 1 . . . . 16 ARG N . 19982 1 54 . 1 1 18 18 GLN H H 1 8.557 0.020 . 1 . . . . 18 GLN H . 19982 1 55 . 1 1 18 18 GLN C C 13 174.426 0.3 . 1 . . . . 18 GLN C . 19982 1 56 . 1 1 18 18 GLN CA C 13 55.269 0.3 . 1 . . . . 18 GLN CA . 19982 1 57 . 1 1 18 18 GLN CB C 13 30.814 0.3 . 1 . . . . 18 GLN CB . 19982 1 58 . 1 1 18 18 GLN N N 15 120.644 0.3 . 1 . . . . 18 GLN N . 19982 1 59 . 1 1 19 19 ASN H H 1 7.935 0.020 . 1 . . . . 19 ASN H . 19982 1 60 . 1 1 19 19 ASN C C 13 174.621 0.3 . 1 . . . . 19 ASN C . 19982 1 61 . 1 1 19 19 ASN CA C 13 52.200 0.3 . 1 . . . . 19 ASN CA . 19982 1 62 . 1 1 19 19 ASN CB C 13 40.164 0.3 . 1 . . . . 19 ASN CB . 19982 1 63 . 1 1 19 19 ASN N N 15 118.731 0.3 . 1 . . . . 19 ASN N . 19982 1 64 . 1 1 20 20 TYR H H 1 9.030 0.020 . 1 . . . . 20 TYR H . 19982 1 65 . 1 1 20 20 TYR C C 13 175.450 0.3 . 1 . . . . 20 TYR C . 19982 1 66 . 1 1 20 20 TYR CA C 13 56.684 0.3 . 1 . . . . 20 TYR CA . 19982 1 67 . 1 1 20 20 TYR CB C 13 41.005 0.3 . 1 . . . . 20 TYR CB . 19982 1 68 . 1 1 20 20 TYR N N 15 125.579 0.3 . 1 . . . . 20 TYR N . 19982 1 69 . 1 1 21 21 LEU H H 1 8.196 0.020 . 1 . . . . 21 LEU H . 19982 1 70 . 1 1 21 21 LEU C C 13 175.572 0.3 . 1 . . . . 21 LEU C . 19982 1 71 . 1 1 21 21 LEU CA C 13 55.752 0.3 . 1 . . . . 21 LEU CA . 19982 1 72 . 1 1 21 21 LEU CB C 13 43.356 0.3 . 1 . . . . 21 LEU CB . 19982 1 73 . 1 1 21 21 LEU N N 15 123.564 0.3 . 1 . . . . 21 LEU N . 19982 1 74 . 1 1 22 22 PHE H H 1 8.082 0.020 . 1 . . . . 22 PHE H . 19982 1 75 . 1 1 22 22 PHE C C 13 173.212 0.3 . 1 . . . . 22 PHE C . 19982 1 76 . 1 1 22 22 PHE CA C 13 57.050 0.3 . 1 . . . . 22 PHE CA . 19982 1 77 . 1 1 22 22 PHE N N 15 120.831 0.3 . 1 . . . . 22 PHE N . 19982 1 78 . 1 1 23 23 GLY H H 1 6.099 0.020 . 1 . . . . 23 GLY H . 19982 1 79 . 1 1 23 23 GLY C C 13 170.914 0.3 . 1 . . . . 23 GLY C . 19982 1 80 . 1 1 23 23 GLY CA C 13 45.953 0.3 . 1 . . . . 23 GLY CA . 19982 1 81 . 1 1 23 23 GLY N N 15 111.693 0.3 . 1 . . . . 23 GLY N . 19982 1 82 . 1 1 24 24 CYS H H 1 7.880 0.020 . 1 . . . . 24 CYS H . 19982 1 83 . 1 1 24 24 CYS C C 13 171.109 0.3 . 1 . . . . 24 CYS C . 19982 1 84 . 1 1 24 24 CYS CA C 13 56.132 0.3 . 1 . . . . 24 CYS CA . 19982 1 85 . 1 1 24 24 CYS CB C 13 30.404 0.3 . 1 . . . . 24 CYS CB . 19982 1 86 . 1 1 24 24 CYS N N 15 110.328 0.3 . 1 . . . . 24 CYS N . 19982 1 87 . 1 1 25 25 GLU H H 1 8.068 0.020 . 1 . . . . 25 GLU H . 19982 1 88 . 1 1 25 25 GLU C C 13 174.841 0.3 . 1 . . . . 25 GLU C . 19982 1 89 . 1 1 25 25 GLU CA C 13 54.531 0.3 . 1 . . . . 25 GLU CA . 19982 1 90 . 1 1 25 25 GLU CB C 13 32.104 0.3 . 1 . . . . 25 GLU CB . 19982 1 91 . 1 1 25 25 GLU N N 15 120.906 0.3 . 1 . . . . 25 GLU N . 19982 1 92 . 1 1 26 26 LEU H H 1 9.423 0.020 . 1 . . . . 26 LEU H . 19982 1 93 . 1 1 26 26 LEU CA C 13 52.956 0.3 . 1 . . . . 26 LEU CA . 19982 1 94 . 1 1 26 26 LEU N N 15 124.709 0.3 . 1 . . . . 26 LEU N . 19982 1 95 . 1 1 27 27 LYS H H 1 8.537 0.020 . 1 . . . . 27 LYS H . 19982 1 96 . 1 1 27 27 LYS C C 13 177.011 0.3 . 1 . . . . 27 LYS C . 19982 1 97 . 1 1 27 27 LYS CA C 13 54.959 0.3 . 1 . . . . 27 LYS CA . 19982 1 98 . 1 1 27 27 LYS CB C 13 36.309 0.3 . 1 . . . . 27 LYS CB . 19982 1 99 . 1 1 27 27 LYS N N 15 118.338 0.3 . 1 . . . . 27 LYS N . 19982 1 100 . 1 1 28 28 ALA H H 1 7.726 0.020 . 1 . . . . 28 ALA H . 19982 1 101 . 1 1 28 28 ALA C C 13 178.207 0.3 . 1 . . . . 28 ALA C . 19982 1 102 . 1 1 28 28 ALA CA C 13 54.845 0.3 . 1 . . . . 28 ALA CA . 19982 1 103 . 1 1 28 28 ALA CB C 13 18.019 0.3 . 1 . . . . 28 ALA CB . 19982 1 104 . 1 1 28 28 ALA N N 15 123.335 0.3 . 1 . . . . 28 ALA N . 19982 1 105 . 1 1 29 29 ASP H H 1 8.407 0.020 . 1 . . . . 29 ASP H . 19982 1 106 . 1 1 29 29 ASP CA C 13 53.948 0.3 . 1 . . . . 29 ASP CA . 19982 1 107 . 1 1 29 29 ASP CB C 13 39.754 0.3 . 1 . . . . 29 ASP CB . 19982 1 108 . 1 1 29 29 ASP N N 15 113.124 0.3 . 1 . . . . 29 ASP N . 19982 1 109 . 1 1 30 30 LYS H H 1 7.450 0.020 . 1 . . . . 30 LYS H . 19982 1 110 . 1 1 30 30 LYS C C 13 174.922 0.3 . 1 . . . . 30 LYS C . 19982 1 111 . 1 1 30 30 LYS CA C 13 56.240 0.3 . 1 . . . . 30 LYS CA . 19982 1 112 . 1 1 30 30 LYS CB C 13 34.095 0.3 . 1 . . . . 30 LYS CB . 19982 1 113 . 1 1 30 30 LYS N N 15 120.576 0.3 . 1 . . . . 30 LYS N . 19982 1 114 . 1 1 31 31 ASP H H 1 8.211 0.020 . 1 . . . . 31 ASP H . 19982 1 115 . 1 1 31 31 ASP C C 13 176.280 0.3 . 1 . . . . 31 ASP C . 19982 1 116 . 1 1 31 31 ASP CA C 13 53.608 0.3 . 1 . . . . 31 ASP CA . 19982 1 117 . 1 1 31 31 ASP CB C 13 41.395 0.3 . 1 . . . . 31 ASP CB . 19982 1 118 . 1 1 31 31 ASP N N 15 126.468 0.3 . 1 . . . . 31 ASP N . 19982 1 119 . 1 1 32 32 TYR H H 1 8.884 0.020 . 1 . . . . 32 TYR H . 19982 1 120 . 1 1 32 32 TYR C C 13 173.745 0.3 . 1 . . . . 32 TYR C . 19982 1 121 . 1 1 32 32 TYR CA C 13 59.238 0.3 . 1 . . . . 32 TYR CA . 19982 1 122 . 1 1 32 32 TYR CB C 13 41.723 0.3 . 1 . . . . 32 TYR CB . 19982 1 123 . 1 1 32 32 TYR N N 15 120.020 0.3 . 1 . . . . 32 TYR N . 19982 1 124 . 1 1 33 33 HIS H H 1 8.070 0.020 . 1 . . . . 33 HIS H . 19982 1 125 . 1 1 33 33 HIS C C 13 173.743 0.3 . 1 . . . . 33 HIS C . 19982 1 126 . 1 1 33 33 HIS CA C 13 54.190 0.3 . 1 . . . . 33 HIS CA . 19982 1 127 . 1 1 33 33 HIS CB C 13 31.470 0.3 . 1 . . . . 33 HIS CB . 19982 1 128 . 1 1 33 33 HIS N N 15 127.499 0.3 . 1 . . . . 33 HIS N . 19982 1 129 . 1 1 34 34 PHE H H 1 8.983 0.020 . 1 . . . . 34 PHE H . 19982 1 130 . 1 1 34 34 PHE C C 13 173.499 0.3 . 1 . . . . 34 PHE C . 19982 1 131 . 1 1 34 34 PHE CA C 13 57.636 0.3 . 1 . . . . 34 PHE CA . 19982 1 132 . 1 1 34 34 PHE CB C 13 39.262 0.3 . 1 . . . . 34 PHE CB . 19982 1 133 . 1 1 34 34 PHE N N 15 125.693 0.3 . 1 . . . . 34 PHE N . 19982 1 134 . 1 1 35 35 LYS H H 1 7.556 0.020 . 1 . . . . 35 LYS H . 19982 1 135 . 1 1 35 35 LYS C C 13 174.719 0.3 . 1 . . . . 35 LYS C . 19982 1 136 . 1 1 35 35 LYS CA C 13 54.837 0.3 . 1 . . . . 35 LYS CA . 19982 1 137 . 1 1 35 35 LYS CB C 13 33.931 0.3 . 1 . . . . 35 LYS CB . 19982 1 138 . 1 1 35 35 LYS N N 15 126.124 0.3 . 1 . . . . 35 LYS N . 19982 1 139 . 1 1 36 36 VAL H H 1 8.274 0.020 . 1 . . . . 36 VAL H . 19982 1 140 . 1 1 36 36 VAL C C 13 175.792 0.3 . 1 . . . . 36 VAL C . 19982 1 141 . 1 1 36 36 VAL CA C 13 60.653 0.3 . 1 . . . . 36 VAL CA . 19982 1 142 . 1 1 36 36 VAL CB C 13 32.141 0.3 . 1 . . . . 36 VAL CB . 19982 1 143 . 1 1 36 36 VAL N N 15 118.782 0.3 . 1 . . . . 36 VAL N . 19982 1 144 . 1 1 37 37 ASP H H 1 8.174 0.020 . 1 . . . . 37 ASP H . 19982 1 145 . 1 1 37 37 ASP CA C 13 54.606 0.3 . 1 . . . . 37 ASP CA . 19982 1 146 . 1 1 37 37 ASP CB C 13 41.317 0.3 . 1 . . . . 37 ASP CB . 19982 1 147 . 1 1 37 37 ASP N N 15 123.027 0.3 . 1 . . . . 37 ASP N . 19982 1 148 . 1 1 38 38 ASN H H 1 8.271 0.020 . 1 . . . . 38 ASN H . 19982 1 149 . 1 1 38 38 ASN C C 13 176.523 0.3 . 1 . . . . 38 ASN C . 19982 1 150 . 1 1 38 38 ASN CA C 13 53.509 0.3 . 1 . . . . 38 ASN CA . 19982 1 151 . 1 1 38 38 ASN N N 15 117.273 0.3 . 1 . . . . 38 ASN N . 19982 1 152 . 1 1 39 39 ASP H H 1 7.955 0.020 . 1 . . . . 39 ASP H . 19982 1 153 . 1 1 39 39 ASP C C 13 176.450 0.3 . 1 . . . . 39 ASP C . 19982 1 154 . 1 1 39 39 ASP CA C 13 54.135 0.3 . 1 . . . . 39 ASP CA . 19982 1 155 . 1 1 39 39 ASP CB C 13 42.215 0.3 . 1 . . . . 39 ASP CB . 19982 1 156 . 1 1 39 39 ASP N N 15 119.324 0.3 . 1 . . . . 39 ASP N . 19982 1 157 . 1 1 40 40 GLU H H 1 8.512 0.020 . 1 . . . . 40 GLU H . 19982 1 158 . 1 1 40 40 GLU C C 13 176.987 0.3 . 1 . . . . 40 GLU C . 19982 1 159 . 1 1 40 40 GLU CA C 13 56.916 0.3 . 1 . . . . 40 GLU CA . 19982 1 160 . 1 1 40 40 GLU CB C 13 29.009 0.3 . 1 . . . . 40 GLU CB . 19982 1 161 . 1 1 40 40 GLU N N 15 118.853 0.3 . 1 . . . . 40 GLU N . 19982 1 162 . 1 1 41 41 ASN H H 1 8.194 0.020 . 1 . . . . 41 ASN H . 19982 1 163 . 1 1 41 41 ASN C C 13 174.548 0.3 . 1 . . . . 41 ASN C . 19982 1 164 . 1 1 41 41 ASN CA C 13 52.961 0.3 . 1 . . . . 41 ASN CA . 19982 1 165 . 1 1 41 41 ASN CB C 13 39.426 0.3 . 1 . . . . 41 ASN CB . 19982 1 166 . 1 1 41 41 ASN N N 15 117.229 0.3 . 1 . . . . 41 ASN N . 19982 1 167 . 1 1 42 42 GLU H H 1 8.146 0.020 . 1 . . . . 42 GLU H . 19982 1 168 . 1 1 42 42 GLU C C 13 176.255 0.3 . 1 . . . . 42 GLU C . 19982 1 169 . 1 1 42 42 GLU CA C 13 56.445 0.3 . 1 . . . . 42 GLU CA . 19982 1 170 . 1 1 42 42 GLU CB C 13 30.474 0.3 . 1 . . . . 42 GLU CB . 19982 1 171 . 1 1 42 42 GLU N N 15 118.926 0.3 . 1 . . . . 42 GLU N . 19982 1 172 . 1 1 43 43 HIS H H 1 8.587 0.020 . 1 . . . . 43 HIS H . 19982 1 173 . 1 1 43 43 HIS C C 13 176.109 0.3 . 1 . . . . 43 HIS C . 19982 1 174 . 1 1 43 43 HIS CA C 13 55.874 0.3 . 1 . . . . 43 HIS CA . 19982 1 175 . 1 1 43 43 HIS CB C 13 35.053 0.3 . 1 . . . . 43 HIS CB . 19982 1 176 . 1 1 43 43 HIS N N 15 122.207 0.3 . 1 . . . . 43 HIS N . 19982 1 177 . 1 1 44 44 GLN H H 1 9.010 0.020 . 1 . . . . 44 GLN H . 19982 1 178 . 1 1 44 44 GLN C C 13 174.450 0.3 . 1 . . . . 44 GLN C . 19982 1 179 . 1 1 44 44 GLN CA C 13 55.594 0.3 . 1 . . . . 44 GLN CA . 19982 1 180 . 1 1 44 44 GLN CB C 13 33.345 0.3 . 1 . . . . 44 GLN CB . 19982 1 181 . 1 1 44 44 GLN N N 15 118.469 0.3 . 1 . . . . 44 GLN N . 19982 1 182 . 1 1 45 45 LEU H H 1 8.222 0.020 . 1 . . . . 45 LEU H . 19982 1 183 . 1 1 45 45 LEU C C 13 175.914 0.3 . 1 . . . . 45 LEU C . 19982 1 184 . 1 1 45 45 LEU CA C 13 52.750 0.3 . 1 . . . . 45 LEU CA . 19982 1 185 . 1 1 45 45 LEU CB C 13 43.279 0.3 . 1 . . . . 45 LEU CB . 19982 1 186 . 1 1 45 45 LEU N N 15 122.913 0.3 . 1 . . . . 45 LEU N . 19982 1 187 . 1 1 46 46 SER H H 1 8.830 0.020 . 1 . . . . 46 SER H . 19982 1 188 . 1 1 46 46 SER C C 13 176.060 0.3 . 1 . . . . 46 SER C . 19982 1 189 . 1 1 46 46 SER CA C 13 55.381 0.3 . 1 . . . . 46 SER CA . 19982 1 190 . 1 1 46 46 SER CB C 13 62.638 0.3 . 1 . . . . 46 SER CB . 19982 1 191 . 1 1 46 46 SER N N 15 116.809 0.3 . 1 . . . . 46 SER N . 19982 1 192 . 1 1 47 47 LEU H H 1 8.654 0.020 . 1 . . . . 47 LEU H . 19982 1 193 . 1 1 47 47 LEU C C 13 177.816 0.3 . 1 . . . . 47 LEU C . 19982 1 194 . 1 1 47 47 LEU CA C 13 55.866 0.3 . 1 . . . . 47 LEU CA . 19982 1 195 . 1 1 47 47 LEU N N 15 124.299 0.3 . 1 . . . . 47 LEU N . 19982 1 196 . 1 1 48 48 ARG H H 1 9.359 0.020 . 1 . . . . 48 ARG H . 19982 1 197 . 1 1 48 48 ARG CA C 13 56.374 0.3 . 1 . . . . 48 ARG CA . 19982 1 198 . 1 1 48 48 ARG N N 15 122.399 0.3 . 1 . . . . 48 ARG N . 19982 1 199 . 1 1 49 49 THR H H 1 7.836 0.020 . 1 . . . . 49 THR H . 19982 1 200 . 1 1 49 49 THR C C 13 173.328 0.3 . 1 . . . . 49 THR C . 19982 1 201 . 1 1 49 49 THR CA C 13 59.687 0.3 . 1 . . . . 49 THR CA . 19982 1 202 . 1 1 49 49 THR CB C 13 72.562 0.3 . 1 . . . . 49 THR CB . 19982 1 203 . 1 1 49 49 THR N N 15 110.020 0.3 . 1 . . . . 49 THR N . 19982 1 204 . 1 1 50 50 VAL H H 1 8.669 0.020 . 1 . . . . 50 VAL H . 19982 1 205 . 1 1 50 50 VAL CA C 13 60.757 0.3 . 1 . . . . 50 VAL CA . 19982 1 206 . 1 1 50 50 VAL N N 15 122.116 0.3 . 1 . . . . 50 VAL N . 19982 1 207 . 1 1 51 51 SER H H 1 9.017 0.020 . 1 . . . . 51 SER H . 19982 1 208 . 1 1 51 51 SER CA C 13 57.685 0.3 . 1 . . . . 51 SER CA . 19982 1 209 . 1 1 51 51 SER N N 15 120.211 0.3 . 1 . . . . 51 SER N . 19982 1 210 . 1 1 52 52 LEU H H 1 8.448 0.020 . 1 . . . . 52 LEU H . 19982 1 211 . 1 1 52 52 LEU C C 13 176.885 0.3 . 1 . . . . 52 LEU C . 19982 1 212 . 1 1 52 52 LEU CA C 13 55.430 0.3 . 1 . . . . 52 LEU CA . 19982 1 213 . 1 1 52 52 LEU N N 15 123.326 0.3 . 1 . . . . 52 LEU N . 19982 1 214 . 1 1 53 53 GLY H H 1 7.925 0.020 . 1 . . . . 53 GLY H . 19982 1 215 . 1 1 53 53 GLY C C 13 173.084 0.3 . 1 . . . . 53 GLY C . 19982 1 216 . 1 1 53 53 GLY CA C 13 43.915 0.3 . 1 . . . . 53 GLY CA . 19982 1 217 . 1 1 53 53 GLY N N 15 104.871 0.3 . 1 . . . . 53 GLY N . 19982 1 218 . 1 1 54 54 ALA H H 1 7.934 0.020 . 1 . . . . 54 ALA H . 19982 1 219 . 1 1 54 54 ALA C C 13 179.475 0.3 . 1 . . . . 54 ALA C . 19982 1 220 . 1 1 54 54 ALA CA C 13 53.673 0.3 . 1 . . . . 54 ALA CA . 19982 1 221 . 1 1 54 54 ALA CB C 13 17.526 0.3 . 1 . . . . 54 ALA CB . 19982 1 222 . 1 1 54 54 ALA N N 15 119.938 0.3 . 1 . . . . 54 ALA N . 19982 1 223 . 1 1 55 55 GLY H H 1 8.460 0.020 . 1 . . . . 55 GLY H . 19982 1 224 . 1 1 55 55 GLY C C 13 175.036 0.3 . 1 . . . . 55 GLY C . 19982 1 225 . 1 1 55 55 GLY CA C 13 44.593 0.3 . 1 . . . . 55 GLY CA . 19982 1 226 . 1 1 55 55 GLY N N 15 106.899 0.3 . 1 . . . . 55 GLY N . 19982 1 227 . 1 1 56 56 ALA H H 1 7.376 0.020 . 1 . . . . 56 ALA H . 19982 1 228 . 1 1 56 56 ALA C C 13 178.279 0.3 . 1 . . . . 56 ALA C . 19982 1 229 . 1 1 56 56 ALA CA C 13 52.626 0.3 . 1 . . . . 56 ALA CA . 19982 1 230 . 1 1 56 56 ALA CB C 13 18.019 0.3 . 1 . . . . 56 ALA CB . 19982 1 231 . 1 1 56 56 ALA N N 15 123.253 0.3 . 1 . . . . 56 ALA N . 19982 1 232 . 1 1 57 57 LYS H H 1 8.870 0.020 . 1 . . . . 57 LYS H . 19982 1 233 . 1 1 57 57 LYS C C 13 178.109 0.3 . 1 . . . . 57 LYS C . 19982 1 234 . 1 1 57 57 LYS CA C 13 55.748 0.3 . 1 . . . . 57 LYS CA . 19982 1 235 . 1 1 57 57 LYS CB C 13 32.536 0.3 . 1 . . . . 57 LYS CB . 19982 1 236 . 1 1 57 57 LYS N N 15 121.231 0.3 . 1 . . . . 57 LYS N . 19982 1 237 . 1 1 59 59 GLU H H 1 8.001 0.020 . 1 . . . . 59 GLU H . 19982 1 238 . 1 1 59 59 GLU C C 13 176.876 0.3 . 1 . . . . 59 GLU C . 19982 1 239 . 1 1 59 59 GLU CA C 13 53.148 0.3 . 1 . . . . 59 GLU CA . 19982 1 240 . 1 1 59 59 GLU N N 15 117.916 0.3 . 1 . . . . 59 GLU N . 19982 1 241 . 1 1 60 60 LEU H H 1 10.360 0.020 . 1 . . . . 60 LEU H . 19982 1 242 . 1 1 60 60 LEU CA C 13 56.719 0.3 . 1 . . . . 60 LEU CA . 19982 1 243 . 1 1 60 60 LEU N N 15 132.484 0.3 . 1 . . . . 60 LEU N . 19982 1 244 . 1 1 61 61 HIS H H 1 8.971 0.020 . 1 . . . . 61 HIS H . 19982 1 245 . 1 1 61 61 HIS C C 13 175.719 0.3 . 1 . . . . 61 HIS C . 19982 1 246 . 1 1 61 61 HIS CA C 13 55.411 0.3 . 1 . . . . 61 HIS CA . 19982 1 247 . 1 1 61 61 HIS N N 15 122.204 0.3 . 1 . . . . 61 HIS N . 19982 1 248 . 1 1 62 62 ILE H H 1 7.792 0.020 . 1 . . . . 62 ILE H . 19982 1 249 . 1 1 62 62 ILE C C 13 175.841 0.3 . 1 . . . . 62 ILE C . 19982 1 250 . 1 1 62 62 ILE CA C 13 61.309 0.3 . 1 . . . . 62 ILE CA . 19982 1 251 . 1 1 62 62 ILE CB C 13 40.252 0.3 . 1 . . . . 62 ILE CB . 19982 1 252 . 1 1 62 62 ILE N N 15 120.514 0.3 . 1 . . . . 62 ILE N . 19982 1 253 . 1 1 63 63 VAL H H 1 8.498 0.020 . 1 . . . . 63 VAL H . 19982 1 254 . 1 1 63 63 VAL CA C 13 61.742 0.3 . 1 . . . . 63 VAL CA . 19982 1 255 . 1 1 63 63 VAL N N 15 127.535 0.3 . 1 . . . . 63 VAL N . 19982 1 256 . 1 1 64 64 GLU H H 1 9.410 0.020 . 1 . . . . 64 GLU H . 19982 1 257 . 1 1 64 64 GLU CA C 13 53.938 0.3 . 1 . . . . 64 GLU CA . 19982 1 258 . 1 1 64 64 GLU N N 15 130.227 0.3 . 1 . . . . 64 GLU N . 19982 1 259 . 1 1 65 65 ALA H H 1 8.887 0.020 . 1 . . . . 65 ALA H . 19982 1 260 . 1 1 65 65 ALA CA C 13 49.094 0.3 . 1 . . . . 65 ALA CA . 19982 1 261 . 1 1 65 65 ALA N N 15 123.814 0.3 . 1 . . . . 65 ALA N . 19982 1 262 . 1 1 66 66 GLU H H 1 9.058 0.020 . 1 . . . . 66 GLU H . 19982 1 263 . 1 1 66 66 GLU C C 13 175.645 0.3 . 1 . . . . 66 GLU C . 19982 1 264 . 1 1 66 66 GLU CA C 13 54.086 0.3 . 1 . . . . 66 GLU CA . 19982 1 265 . 1 1 66 66 GLU CB C 13 32.618 0.3 . 1 . . . . 66 GLU CB . 19982 1 266 . 1 1 66 66 GLU N N 15 121.420 0.3 . 1 . . . . 66 GLU N . 19982 1 267 . 1 1 67 67 ALA H H 1 8.341 0.020 . 1 . . . . 67 ALA H . 19982 1 268 . 1 1 67 67 ALA C C 13 176.036 0.3 . 1 . . . . 67 ALA C . 19982 1 269 . 1 1 67 67 ALA CA C 13 51.128 0.3 . 1 . . . . 67 ALA CA . 19982 1 270 . 1 1 67 67 ALA CB C 13 20.971 0.3 . 1 . . . . 67 ALA CB . 19982 1 271 . 1 1 67 67 ALA N N 15 128.792 0.3 . 1 . . . . 67 ALA N . 19982 1 272 . 1 1 68 68 MET H H 1 8.267 0.020 . 1 . . . . 68 MET H . 19982 1 273 . 1 1 68 68 MET C C 13 177.987 0.3 . 1 . . . . 68 MET C . 19982 1 274 . 1 1 68 68 MET CA C 13 56.226 0.3 . 1 . . . . 68 MET CA . 19982 1 275 . 1 1 68 68 MET CB C 13 33.521 0.3 . 1 . . . . 68 MET CB . 19982 1 276 . 1 1 68 68 MET N N 15 117.114 0.3 . 1 . . . . 68 MET N . 19982 1 277 . 1 1 69 69 ASN H H 1 8.759 0.020 . 1 . . . . 69 ASN H . 19982 1 278 . 1 1 69 69 ASN C C 13 177.133 0.3 . 1 . . . . 69 ASN C . 19982 1 279 . 1 1 69 69 ASN CA C 13 50.909 0.3 . 1 . . . . 69 ASN CA . 19982 1 280 . 1 1 69 69 ASN CB C 13 39.344 0.3 . 1 . . . . 69 ASN CB . 19982 1 281 . 1 1 69 69 ASN N N 15 121.245 0.3 . 1 . . . . 69 ASN N . 19982 1 282 . 1 1 70 70 TYR H H 1 8.658 0.020 . 1 . . . . 70 TYR H . 19982 1 283 . 1 1 70 70 TYR C C 13 176.109 0.3 . 1 . . . . 70 TYR C . 19982 1 284 . 1 1 70 70 TYR CA C 13 58.811 0.3 . 1 . . . . 70 TYR CA . 19982 1 285 . 1 1 70 70 TYR CB C 13 37.691 0.3 . 1 . . . . 70 TYR CB . 19982 1 286 . 1 1 70 70 TYR N N 15 118.504 0.3 . 1 . . . . 70 TYR N . 19982 1 287 . 1 1 71 71 GLU H H 1 7.300 0.020 . 1 . . . . 71 GLU H . 19982 1 288 . 1 1 71 71 GLU C C 13 177.304 0.3 . 1 . . . . 71 GLU C . 19982 1 289 . 1 1 71 71 GLU CA C 13 56.443 0.3 . 1 . . . . 71 GLU CA . 19982 1 290 . 1 1 71 71 GLU CB C 13 28.845 0.3 . 1 . . . . 71 GLU CB . 19982 1 291 . 1 1 71 71 GLU N N 15 116.921 0.3 . 1 . . . . 71 GLU N . 19982 1 292 . 1 1 72 72 GLY H H 1 7.896 0.020 . 1 . . . . 72 GLY H . 19982 1 293 . 1 1 72 72 GLY C C 13 174.694 0.3 . 1 . . . . 72 GLY C . 19982 1 294 . 1 1 72 72 GLY CA C 13 45.985 0.3 . 1 . . . . 72 GLY CA . 19982 1 295 . 1 1 72 72 GLY N N 15 107.644 0.3 . 1 . . . . 72 GLY N . 19982 1 296 . 1 1 73 73 SER H H 1 8.010 0.020 . 1 . . . . 73 SER H . 19982 1 297 . 1 1 73 73 SER C C 13 171.889 0.3 . 1 . . . . 73 SER C . 19982 1 298 . 1 1 73 73 SER CA C 13 55.787 0.3 . 1 . . . . 73 SER CA . 19982 1 299 . 1 1 73 73 SER CB C 13 63.844 0.3 . 1 . . . . 73 SER CB . 19982 1 300 . 1 1 73 73 SER N N 15 117.049 0.3 . 1 . . . . 73 SER N . 19982 1 301 . 1 1 75 75 ILE H H 1 8.915 0.020 . 1 . . . . 75 ILE H . 19982 1 302 . 1 1 75 75 ILE C C 13 173.158 0.3 . 1 . . . . 75 ILE C . 19982 1 303 . 1 1 75 75 ILE CA C 13 59.618 0.3 . 1 . . . . 75 ILE CA . 19982 1 304 . 1 1 75 75 ILE CB C 13 41.641 0.3 . 1 . . . . 75 ILE CB . 19982 1 305 . 1 1 75 75 ILE N N 15 122.019 0.3 . 1 . . . . 75 ILE N . 19982 1 306 . 1 1 76 76 LYS H H 1 7.863 0.020 . 1 . . . . 76 LYS H . 19982 1 307 . 1 1 76 76 LYS C C 13 177.085 0.3 . 1 . . . . 76 LYS C . 19982 1 308 . 1 1 76 76 LYS CA C 13 54.845 0.3 . 1 . . . . 76 LYS CA . 19982 1 309 . 1 1 76 76 LYS CB C 13 32.700 0.3 . 1 . . . . 76 LYS CB . 19982 1 310 . 1 1 76 76 LYS N N 15 121.692 0.3 . 1 . . . . 76 LYS N . 19982 1 311 . 1 1 77 77 VAL H H 1 9.256 0.020 . 1 . . . . 77 VAL H . 19982 1 312 . 1 1 77 77 VAL C C 13 175.280 0.3 . 1 . . . . 77 VAL C . 19982 1 313 . 1 1 77 77 VAL CA C 13 59.238 0.3 . 1 . . . . 77 VAL CA . 19982 1 314 . 1 1 77 77 VAL N N 15 119.913 0.3 . 1 . . . . 77 VAL N . 19982 1 315 . 1 1 78 78 THR H H 1 8.777 0.020 . 1 . . . . 78 THR H . 19982 1 316 . 1 1 78 78 THR C C 13 174.548 0.3 . 1 . . . . 78 THR C . 19982 1 317 . 1 1 78 78 THR CA C 13 63.622 0.3 . 1 . . . . 78 THR CA . 19982 1 318 . 1 1 78 78 THR CB C 13 69.036 0.3 . 1 . . . . 78 THR CB . 19982 1 319 . 1 1 78 78 THR N N 15 122.449 0.3 . 1 . . . . 78 THR N . 19982 1 320 . 1 1 79 79 LEU H H 1 9.157 0.020 . 1 . . . . 79 LEU H . 19982 1 321 . 1 1 79 79 LEU CA C 13 55.767 0.3 . 1 . . . . 79 LEU CA . 19982 1 322 . 1 1 79 79 LEU N N 15 126.232 0.3 . 1 . . . . 79 LEU N . 19982 1 323 . 1 1 80 80 ALA H H 1 6.934 0.020 . 1 . . . . 80 ALA H . 19982 1 324 . 1 1 80 80 ALA C C 13 175.102 0.3 . 1 . . . . 80 ALA C . 19982 1 325 . 1 1 80 80 ALA CA C 13 52.191 0.3 . 1 . . . . 80 ALA CA . 19982 1 326 . 1 1 80 80 ALA N N 15 114.364 0.3 . 1 . . . . 80 ALA N . 19982 1 327 . 1 1 81 81 THR H H 1 8.027 0.020 . 1 . . . . 81 THR H . 19982 1 328 . 1 1 81 81 THR CA C 13 62.413 0.3 . 1 . . . . 81 THR CA . 19982 1 329 . 1 1 81 81 THR N N 15 119.159 0.3 . 1 . . . . 81 THR N . 19982 1 330 . 1 1 82 82 LEU H H 1 9.314 0.020 . 1 . . . . 82 LEU H . 19982 1 331 . 1 1 82 82 LEU CA C 13 54.363 0.3 . 1 . . . . 82 LEU CA . 19982 1 332 . 1 1 82 82 LEU N N 15 122.925 0.3 . 1 . . . . 82 LEU N . 19982 1 333 . 1 1 83 83 LYS H H 1 7.257 0.020 . 1 . . . . 83 LYS H . 19982 1 334 . 1 1 83 83 LYS C C 13 177.133 0.3 . 1 . . . . 83 LYS C . 19982 1 335 . 1 1 83 83 LYS CA C 13 56.865 0.3 . 1 . . . . 83 LYS CA . 19982 1 336 . 1 1 83 83 LYS CB C 13 36.063 0.3 . 1 . . . . 83 LYS CB . 19982 1 337 . 1 1 83 83 LYS N N 15 117.244 0.3 . 1 . . . . 83 LYS N . 19982 1 338 . 1 1 84 84 MET H H 1 9.708 0.020 . 1 . . . . 84 MET H . 19982 1 339 . 1 1 84 84 MET C C 13 175.949 0.3 . 1 . . . . 84 MET C . 19982 1 340 . 1 1 84 84 MET CA C 13 59.790 0.3 . 1 . . . . 84 MET CA . 19982 1 341 . 1 1 84 84 MET N N 15 132.482 0.3 . 1 . . . . 84 MET N . 19982 1 342 . 1 1 85 85 SER H H 1 8.024 0.020 . 1 . . . . 85 SER H . 19982 1 343 . 1 1 85 85 SER C C 13 177.426 0.3 . 1 . . . . 85 SER C . 19982 1 344 . 1 1 85 85 SER CA C 13 59.135 0.3 . 1 . . . . 85 SER CA . 19982 1 345 . 1 1 85 85 SER CB C 13 62.392 0.3 . 1 . . . . 85 SER CB . 19982 1 346 . 1 1 85 85 SER N N 15 106.896 0.3 . 1 . . . . 85 SER N . 19982 1 347 . 1 1 86 86 VAL H H 1 7.310 0.020 . 1 . . . . 86 VAL H . 19982 1 348 . 1 1 86 86 VAL C C 13 174.767 0.3 . 1 . . . . 86 VAL C . 19982 1 349 . 1 1 86 86 VAL CA C 13 63.786 0.3 . 1 . . . . 86 VAL CA . 19982 1 350 . 1 1 86 86 VAL CB C 13 35.817 0.3 . 1 . . . . 86 VAL CB . 19982 1 351 . 1 1 86 86 VAL N N 15 117.735 0.3 . 1 . . . . 86 VAL N . 19982 1 352 . 1 1 87 87 GLN H H 1 8.481 0.020 . 1 . . . . 87 GLN H . 19982 1 353 . 1 1 87 87 GLN C C 13 172.889 0.3 . 1 . . . . 87 GLN C . 19982 1 354 . 1 1 87 87 GLN CA C 13 55.129 0.3 . 1 . . . . 87 GLN CA . 19982 1 355 . 1 1 87 87 GLN CB C 13 29.337 0.3 . 1 . . . . 87 GLN CB . 19982 1 356 . 1 1 87 87 GLN N N 15 117.003 0.3 . 1 . . . . 87 GLN N . 19982 1 357 . 1 1 89 89 THR H H 1 7.953 0.020 . 1 . . . . 89 THR H . 19982 1 358 . 1 1 89 89 THR C C 13 174.963 0.3 . 1 . . . . 89 THR C . 19982 1 359 . 1 1 89 89 THR CA C 13 61.982 0.3 . 1 . . . . 89 THR CA . 19982 1 360 . 1 1 89 89 THR CB C 13 71.332 0.3 . 1 . . . . 89 THR CB . 19982 1 361 . 1 1 89 89 THR N N 15 112.173 0.3 . 1 . . . . 89 THR N . 19982 1 362 . 1 1 90 90 VAL H H 1 9.371 0.020 . 1 . . . . 90 VAL H . 19982 1 363 . 1 1 90 90 VAL CA C 13 61.620 0.3 . 1 . . . . 90 VAL CA . 19982 1 364 . 1 1 90 90 VAL N N 15 125.445 0.3 . 1 . . . . 90 VAL N . 19982 1 365 . 1 1 91 91 SER H H 1 8.910 0.020 . 1 . . . . 91 SER H . 19982 1 366 . 1 1 91 91 SER C C 13 176.280 0.3 . 1 . . . . 91 SER C . 19982 1 367 . 1 1 91 91 SER CA C 13 55.925 0.3 . 1 . . . . 91 SER CA . 19982 1 368 . 1 1 91 91 SER N N 15 121.639 0.3 . 1 . . . . 91 SER N . 19982 1 369 . 1 1 92 92 LEU H H 1 9.007 0.020 . 1 . . . . 92 LEU H . 19982 1 370 . 1 1 92 92 LEU C C 13 180.085 0.3 . 1 . . . . 92 LEU C . 19982 1 371 . 1 1 92 92 LEU CA C 13 55.437 0.3 . 1 . . . . 92 LEU CA . 19982 1 372 . 1 1 92 92 LEU CB C 13 42.503 0.3 . 1 . . . . 92 LEU CB . 19982 1 373 . 1 1 92 92 LEU N N 15 124.800 0.3 . 1 . . . . 92 LEU N . 19982 1 374 . 1 1 93 93 GLY H H 1 8.208 0.020 . 1 . . . . 93 GLY H . 19982 1 375 . 1 1 93 93 GLY CA C 13 46.952 0.3 . 1 . . . . 93 GLY CA . 19982 1 376 . 1 1 93 93 GLY N N 15 105.782 0.3 . 1 . . . . 93 GLY N . 19982 1 377 . 1 1 94 94 GLY H H 1 7.108 0.020 . 1 . . . . 94 GLY H . 19982 1 378 . 1 1 94 94 GLY C C 13 172.621 0.3 . 1 . . . . 94 GLY C . 19982 1 379 . 1 1 94 94 GLY CA C 13 46.330 0.3 . 1 . . . . 94 GLY CA . 19982 1 380 . 1 1 94 94 GLY N N 15 107.559 0.3 . 1 . . . . 94 GLY N . 19982 1 381 . 1 1 95 95 PHE H H 1 8.002 0.020 . 1 . . . . 95 PHE H . 19982 1 382 . 1 1 95 95 PHE C C 13 175.303 0.3 . 1 . . . . 95 PHE C . 19982 1 383 . 1 1 95 95 PHE CA C 13 54.337 0.3 . 1 . . . . 95 PHE CA . 19982 1 384 . 1 1 95 95 PHE CB C 13 39.011 0.3 . 1 . . . . 95 PHE CB . 19982 1 385 . 1 1 95 95 PHE N N 15 121.561 0.3 . 1 . . . . 95 PHE N . 19982 1 386 . 1 1 96 96 GLU H H 1 7.674 0.020 . 1 . . . . 96 GLU H . 19982 1 387 . 1 1 96 96 GLU C C 13 176.377 0.3 . 1 . . . . 96 GLU C . 19982 1 388 . 1 1 96 96 GLU CA C 13 56.684 0.3 . 1 . . . . 96 GLU CA . 19982 1 389 . 1 1 96 96 GLU CB C 13 28.681 0.3 . 1 . . . . 96 GLU CB . 19982 1 390 . 1 1 96 96 GLU N N 15 129.371 0.3 . 1 . . . . 96 GLU N . 19982 1 391 . 1 1 97 97 ILE H H 1 8.882 0.020 . 1 . . . . 97 ILE H . 19982 1 392 . 1 1 97 97 ILE CA C 13 60.791 0.3 . 1 . . . . 97 ILE CA . 19982 1 393 . 1 1 97 97 ILE CB C 13 42.051 0.3 . 1 . . . . 97 ILE CB . 19982 1 394 . 1 1 97 97 ILE N N 15 124.475 0.3 . 1 . . . . 97 ILE N . 19982 1 395 . 1 1 98 98 THR H H 1 9.282 0.020 . 1 . . . . 98 THR H . 19982 1 396 . 1 1 98 98 THR C C 13 172.368 0.3 . 1 . . . . 98 THR C . 19982 1 397 . 1 1 98 98 THR CA C 13 60.276 0.3 . 1 . . . . 98 THR CA . 19982 1 398 . 1 1 98 98 THR CB C 13 69.938 0.3 . 1 . . . . 98 THR CB . 19982 1 399 . 1 1 98 98 THR N N 15 127.053 0.3 . 1 . . . . 98 THR N . 19982 1 400 . 1 1 101 101 VAL H H 1 8.423 0.020 . 1 . . . . 101 VAL H . 19982 1 401 . 1 1 101 101 VAL C C 13 172.987 0.3 . 1 . . . . 101 VAL C . 19982 1 402 . 1 1 101 101 VAL CA C 13 59.721 0.3 . 1 . . . . 101 VAL CA . 19982 1 403 . 1 1 101 101 VAL CB C 13 34.768 0.3 . 1 . . . . 101 VAL CB . 19982 1 404 . 1 1 101 101 VAL N N 15 117.236 0.3 . 1 . . . . 101 VAL N . 19982 1 405 . 1 1 102 102 VAL H H 1 8.463 0.020 . 1 . . . . 102 VAL H . 19982 1 406 . 1 1 102 102 VAL C C 13 175.328 0.3 . 1 . . . . 102 VAL C . 19982 1 407 . 1 1 102 102 VAL CA C 13 60.895 0.3 . 1 . . . . 102 VAL CA . 19982 1 408 . 1 1 102 102 VAL CB C 13 33.811 0.3 . 1 . . . . 102 VAL CB . 19982 1 409 . 1 1 102 102 VAL N N 15 126.859 0.3 . 1 . . . . 102 VAL N . 19982 1 410 . 1 1 103 103 LEU H H 1 9.222 0.020 . 1 . . . . 103 LEU H . 19982 1 411 . 1 1 103 103 LEU C C 13 174.888 0.3 . 1 . . . . 103 LEU C . 19982 1 412 . 1 1 103 103 LEU CA C 13 53.051 0.3 . 1 . . . . 103 LEU CA . 19982 1 413 . 1 1 103 103 LEU CB C 13 44.598 0.3 . 1 . . . . 103 LEU CB . 19982 1 414 . 1 1 103 103 LEU N N 15 126.279 0.3 . 1 . . . . 103 LEU N . 19982 1 415 . 1 1 104 104 ARG H H 1 8.883 0.020 . 1 . . . . 104 ARG H . 19982 1 416 . 1 1 104 104 ARG CA C 13 54.625 0.3 . 1 . . . . 104 ARG CA . 19982 1 417 . 1 1 104 104 ARG N N 15 116.320 0.3 . 1 . . . . 104 ARG N . 19982 1 418 . 1 1 105 105 LEU H H 1 9.282 0.020 . 1 . . . . 105 LEU H . 19982 1 419 . 1 1 105 105 LEU C C 13 177.085 0.3 . 1 . . . . 105 LEU C . 19982 1 420 . 1 1 105 105 LEU CA C 13 53.370 0.3 . 1 . . . . 105 LEU CA . 19982 1 421 . 1 1 105 105 LEU CB C 13 40.574 0.3 . 1 . . . . 105 LEU CB . 19982 1 422 . 1 1 105 105 LEU N N 15 120.965 0.3 . 1 . . . . 105 LEU N . 19982 1 423 . 1 1 106 106 LYS H H 1 8.667 0.020 . 1 . . . . 106 LYS H . 19982 1 424 . 1 1 106 106 LYS C C 13 176.767 0.3 . 1 . . . . 106 LYS C . 19982 1 425 . 1 1 106 106 LYS CA C 13 56.960 0.3 . 1 . . . . 106 LYS CA . 19982 1 426 . 1 1 106 106 LYS CB C 13 33.028 0.3 . 1 . . . . 106 LYS CB . 19982 1 427 . 1 1 106 106 LYS N N 15 126.378 0.3 . 1 . . . . 106 LYS N . 19982 1 428 . 1 1 107 107 CYS H H 1 7.412 0.020 . 1 . . . . 107 CYS H . 19982 1 429 . 1 1 107 107 CYS C C 13 173.670 0.3 . 1 . . . . 107 CYS C . 19982 1 430 . 1 1 107 107 CYS CA C 13 57.293 0.3 . 1 . . . . 107 CYS CA . 19982 1 431 . 1 1 107 107 CYS CB C 13 29.853 0.3 . 1 . . . . 107 CYS CB . 19982 1 432 . 1 1 107 107 CYS N N 15 112.046 0.3 . 1 . . . . 107 CYS N . 19982 1 433 . 1 1 108 108 GLY H H 1 8.036 0.020 . 1 . . . . 108 GLY H . 19982 1 434 . 1 1 108 108 GLY C C 13 173.889 0.3 . 1 . . . . 108 GLY C . 19982 1 435 . 1 1 108 108 GLY CA C 13 43.445 0.3 . 1 . . . . 108 GLY CA . 19982 1 436 . 1 1 108 108 GLY N N 15 110.480 0.3 . 1 . . . . 108 GLY N . 19982 1 437 . 1 1 109 109 SER H H 1 8.197 0.020 . 1 . . . . 109 SER H . 19982 1 438 . 1 1 109 109 SER C C 13 177.713 0.3 . 1 . . . . 109 SER C . 19982 1 439 . 1 1 109 109 SER CA C 13 60.858 0.3 . 1 . . . . 109 SER CA . 19982 1 440 . 1 1 109 109 SER CB C 13 63.689 0.3 . 1 . . . . 109 SER CB . 19982 1 441 . 1 1 109 109 SER N N 15 114.486 0.3 . 1 . . . . 109 SER N . 19982 1 442 . 1 1 110 110 GLY H H 1 10.906 0.020 . 1 . . . . 110 GLY H . 19982 1 443 . 1 1 110 110 GLY C C 13 171.401 0.3 . 1 . . . . 110 GLY C . 19982 1 444 . 1 1 110 110 GLY CA C 13 43.848 0.3 . 1 . . . . 110 GLY CA . 19982 1 445 . 1 1 110 110 GLY N N 15 114.682 0.3 . 1 . . . . 110 GLY N . 19982 1 446 . 1 1 112 112 VAL H H 1 8.587 0.020 . 1 . . . . 112 VAL H . 19982 1 447 . 1 1 112 112 VAL C C 13 173.470 0.3 . 1 . . . . 112 VAL C . 19982 1 448 . 1 1 112 112 VAL CA C 13 60.720 0.3 . 1 . . . . 112 VAL CA . 19982 1 449 . 1 1 112 112 VAL CB C 13 34.975 0.3 . 1 . . . . 112 VAL CB . 19982 1 450 . 1 1 112 112 VAL N N 15 119.752 0.3 . 1 . . . . 112 VAL N . 19982 1 451 . 1 1 113 113 HIS H H 1 9.555 0.020 . 1 . . . . 113 HIS H . 19982 1 452 . 1 1 113 113 HIS CA C 13 54.887 0.3 . 1 . . . . 113 HIS CA . 19982 1 453 . 1 1 113 113 HIS N N 15 125.786 0.3 . 1 . . . . 113 HIS N . 19982 1 454 . 1 1 114 114 ILE H H 1 8.503 0.020 . 1 . . . . 114 ILE H . 19982 1 455 . 1 1 114 114 ILE CA C 13 59.411 0.3 . 1 . . . . 114 ILE CA . 19982 1 456 . 1 1 114 114 ILE N N 15 119.792 0.3 . 1 . . . . 114 ILE N . 19982 1 457 . 1 1 115 115 SER H H 1 9.291 0.020 . 1 . . . . 115 SER H . 19982 1 458 . 1 1 115 115 SER CA C 13 56.822 0.3 . 1 . . . . 115 SER CA . 19982 1 459 . 1 1 115 115 SER N N 15 121.853 0.3 . 1 . . . . 115 SER N . 19982 1 460 . 1 1 116 116 GLY H H 1 9.065 0.020 . 1 . . . . 116 GLY H . 19982 1 461 . 1 1 116 116 GLY CA C 13 46.710 0.3 . 1 . . . . 116 GLY CA . 19982 1 462 . 1 1 116 116 GLY N N 15 107.582 0.3 . 1 . . . . 116 GLY N . 19982 1 463 . 1 1 117 117 GLN H H 1 8.914 0.020 . 1 . . . . 117 GLN H . 19982 1 464 . 1 1 117 117 GLN CA C 13 53.417 0.3 . 1 . . . . 117 GLN CA . 19982 1 465 . 1 1 117 117 GLN CB C 13 32.560 0.3 . 1 . . . . 117 GLN CB . 19982 1 466 . 1 1 117 117 GLN N N 15 117.819 0.3 . 1 . . . . 117 GLN N . 19982 1 467 . 1 1 118 118 HIS H H 1 9.541 0.020 . 1 . . . . 118 HIS H . 19982 1 468 . 1 1 118 118 HIS C C 13 173.597 0.3 . 1 . . . . 118 HIS C . 19982 1 469 . 1 1 118 118 HIS CA C 13 53.107 0.3 . 1 . . . . 118 HIS CA . 19982 1 470 . 1 1 118 118 HIS CB C 13 32.536 0.3 . 1 . . . . 118 HIS CB . 19982 1 471 . 1 1 118 118 HIS N N 15 124.780 0.3 . 1 . . . . 118 HIS N . 19982 1 472 . 1 1 119 119 LEU H H 1 9.031 0.020 . 1 . . . . 119 LEU H . 19982 1 473 . 1 1 119 119 LEU C C 13 176.694 0.3 . 1 . . . . 119 LEU C . 19982 1 474 . 1 1 119 119 LEU CA C 13 53.751 0.3 . 1 . . . . 119 LEU CA . 19982 1 475 . 1 1 119 119 LEU CB C 13 42.215 0.3 . 1 . . . . 119 LEU CB . 19982 1 476 . 1 1 119 119 LEU N N 15 127.659 0.3 . 1 . . . . 119 LEU N . 19982 1 477 . 1 1 120 120 VAL H H 1 8.367 0.020 . 1 . . . . 120 VAL H . 19982 1 478 . 1 1 120 120 VAL C C 13 176.694 0.3 . 1 . . . . 120 VAL C . 19982 1 479 . 1 1 120 120 VAL CA C 13 60.998 0.3 . 1 . . . . 120 VAL CA . 19982 1 480 . 1 1 120 120 VAL N N 15 121.666 0.3 . 1 . . . . 120 VAL N . 19982 1 481 . 1 1 121 121 ALA H H 1 8.603 0.020 . 1 . . . . 121 ALA H . 19982 1 482 . 1 1 121 121 ALA C C 13 176.677 0.3 . 1 . . . . 121 ALA C . 19982 1 483 . 1 1 121 121 ALA CA C 13 50.859 0.3 . 1 . . . . 121 ALA CA . 19982 1 484 . 1 1 121 121 ALA N N 15 130.707 0.3 . 1 . . . . 121 ALA N . 19982 1 485 . 1 1 122 122 VAL H H 1 8.086 0.020 . 1 . . . . 122 VAL H . 19982 1 486 . 1 1 122 122 VAL C C 13 176.245 0.3 . 1 . . . . 122 VAL C . 19982 1 487 . 1 1 122 122 VAL CA C 13 61.396 0.3 . 1 . . . . 122 VAL CA . 19982 1 488 . 1 1 122 122 VAL CB C 13 32.571 0.3 . 1 . . . . 122 VAL CB . 19982 1 489 . 1 1 122 122 VAL N N 15 121.733 0.3 . 1 . . . . 122 VAL N . 19982 1 490 . 1 1 123 123 GLU H H 1 8.348 0.020 . 1 . . . . 123 GLU H . 19982 1 491 . 1 1 123 123 GLU C C 13 176.548 0.3 . 1 . . . . 123 GLU C . 19982 1 492 . 1 1 123 123 GLU CA C 13 55.851 0.3 . 1 . . . . 123 GLU CA . 19982 1 493 . 1 1 123 123 GLU CB C 13 30.158 0.3 . 1 . . . . 123 GLU CB . 19982 1 494 . 1 1 123 123 GLU N N 15 125.878 0.3 . 1 . . . . 123 GLU N . 19982 1 495 . 1 1 124 124 GLU H H 1 8.415 0.020 . 1 . . . . 124 GLU H . 19982 1 496 . 1 1 124 124 GLU C C 13 176.670 0.3 . 1 . . . . 124 GLU C . 19982 1 497 . 1 1 124 124 GLU CA C 13 56.356 0.3 . 1 . . . . 124 GLU CA . 19982 1 498 . 1 1 124 124 GLU CB C 13 30.008 0.3 . 1 . . . . 124 GLU CB . 19982 1 499 . 1 1 124 124 GLU N N 15 123.367 0.3 . 1 . . . . 124 GLU N . 19982 1 500 . 1 1 125 125 ASP H H 1 8.425 0.020 . 1 . . . . 125 ASP H . 19982 1 501 . 1 1 125 125 ASP C C 13 176.377 0.3 . 1 . . . . 125 ASP C . 19982 1 502 . 1 1 125 125 ASP CA C 13 54.193 0.3 . 1 . . . . 125 ASP CA . 19982 1 503 . 1 1 125 125 ASP CB C 13 40.951 0.3 . 1 . . . . 125 ASP CB . 19982 1 504 . 1 1 125 125 ASP N N 15 122.450 0.3 . 1 . . . . 125 ASP N . 19982 1 505 . 1 1 126 126 ALA H H 1 8.215 0.020 . 1 . . . . 126 ALA H . 19982 1 506 . 1 1 126 126 ALA C C 13 178.280 0.3 . 1 . . . . 126 ALA C . 19982 1 507 . 1 1 126 126 ALA CA C 13 52.224 0.3 . 1 . . . . 126 ALA CA . 19982 1 508 . 1 1 126 126 ALA CB C 13 19.003 0.3 . 1 . . . . 126 ALA CB . 19982 1 509 . 1 1 126 126 ALA N N 15 124.822 0.3 . 1 . . . . 126 ALA N . 19982 1 510 . 1 1 127 127 GLU H H 1 8.310 0.020 . 1 . . . . 127 GLU H . 19982 1 511 . 1 1 127 127 GLU C C 13 177.182 0.3 . 1 . . . . 127 GLU C . 19982 1 512 . 1 1 127 127 GLU CA C 13 56.322 0.3 . 1 . . . . 127 GLU CA . 19982 1 513 . 1 1 127 127 GLU CB C 13 29.666 0.3 . 1 . . . . 127 GLU CB . 19982 1 514 . 1 1 127 127 GLU N N 15 120.250 0.3 . 1 . . . . 127 GLU N . 19982 1 515 . 1 1 128 128 SER H H 1 8.269 0.020 . 1 . . . . 128 SER H . 19982 1 516 . 1 1 128 128 SER C C 13 174.963 0.3 . 1 . . . . 128 SER C . 19982 1 517 . 1 1 128 128 SER CA C 13 58.148 0.3 . 1 . . . . 128 SER CA . 19982 1 518 . 1 1 128 128 SER CB C 13 63.844 0.3 . 1 . . . . 128 SER CB . 19982 1 519 . 1 1 128 128 SER N N 15 117.065 0.3 . 1 . . . . 128 SER N . 19982 1 520 . 1 1 129 129 GLU H H 1 8.427 0.020 . 1 . . . . 129 GLU H . 19982 1 521 . 1 1 129 129 GLU C C 13 176.610 0.3 . 1 . . . . 129 GLU C . 19982 1 522 . 1 1 129 129 GLU CA C 13 56.408 0.3 . 1 . . . . 129 GLU CA . 19982 1 523 . 1 1 129 129 GLU CB C 13 30.076 0.3 . 1 . . . . 129 GLU CB . 19982 1 524 . 1 1 129 129 GLU N N 15 122.962 0.3 . 1 . . . . 129 GLU N . 19982 1 525 . 1 1 130 130 ASP H H 1 8.307 0.020 . 1 . . . . 130 ASP H . 19982 1 526 . 1 1 130 130 ASP C C 13 176.719 0.3 . 1 . . . . 130 ASP C . 19982 1 527 . 1 1 130 130 ASP CA C 13 54.494 0.3 . 1 . . . . 130 ASP CA . 19982 1 528 . 1 1 130 130 ASP CB C 13 40.951 0.3 . 1 . . . . 130 ASP CB . 19982 1 529 . 1 1 130 130 ASP N N 15 121.819 0.3 . 1 . . . . 130 ASP N . 19982 1 530 . 1 1 131 131 GLU H H 1 8.296 0.020 . 1 . . . . 131 GLU H . 19982 1 531 . 1 1 131 131 GLU C C 13 176.548 0.3 . 1 . . . . 131 GLU C . 19982 1 532 . 1 1 131 131 GLU CA C 13 56.316 0.3 . 1 . . . . 131 GLU CA . 19982 1 533 . 1 1 131 131 GLU CB C 13 30.008 0.3 . 1 . . . . 131 GLU CB . 19982 1 534 . 1 1 131 131 GLU N N 15 121.113 0.3 . 1 . . . . 131 GLU N . 19982 1 535 . 1 1 132 132 ASP H H 1 8.274 0.020 . 1 . . . . 132 ASP H . 19982 1 536 . 1 1 132 132 ASP C C 13 175.816 0.3 . 1 . . . . 132 ASP C . 19982 1 537 . 1 1 132 132 ASP CA C 13 54.524 0.3 . 1 . . . . 132 ASP CA . 19982 1 538 . 1 1 132 132 ASP CB C 13 40.984 0.3 . 1 . . . . 132 ASP CB . 19982 1 539 . 1 1 132 132 ASP N N 15 121.523 0.3 . 1 . . . . 132 ASP N . 19982 1 540 . 1 1 133 133 GLU H H 1 7.807 0.020 . 1 . . . . 133 GLU H . 19982 1 541 . 1 1 133 133 GLU C C 13 181.735 0.3 . 1 . . . . 133 GLU C . 19982 1 542 . 1 1 133 133 GLU CA C 13 58.045 0.3 . 1 . . . . 133 GLU CA . 19982 1 543 . 1 1 133 133 GLU CB C 13 30.732 0.3 . 1 . . . . 133 GLU CB . 19982 1 544 . 1 1 133 133 GLU N N 15 125.604 0.3 . 1 . . . . 133 GLU N . 19982 1 stop_ save_