################################### # 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 17785 _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' . . . 17785 1 2 '3D HNCO' . . . 17785 1 3 '3D HNCA' . . . 17785 1 4 '3D HNCACB' . . . 17785 1 5 '3D HN(CO)CA' . . . 17785 1 6 '3D HN(CA)CO' . . . 17785 1 7 '3D HN(CO)CACB' . . . 17785 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 1 1 MET C C 13 172.035 0.003 2 1 . . . . 1 M C . 17785 1 2 . 1 1 1 1 MET CA C 13 55.310 0.062 4 1 . . . . 1 M CA . 17785 1 3 . 1 1 1 1 MET CB C 13 33.542 0.017 2 1 . . . . 1 M CB . 17785 1 4 . 1 1 2 2 THR H H 1 8.882 0.002 13 1 . . . . 2 T H . 17785 1 5 . 1 1 2 2 THR C C 13 171.763 0.021 3 1 . . . . 2 T C . 17785 1 6 . 1 1 2 2 THR CA C 13 63.479 0.117 6 1 . . . . 2 T CA . 17785 1 7 . 1 1 2 2 THR CB C 13 69.881 0.065 3 1 . . . . 2 T CB . 17785 1 8 . 1 1 2 2 THR N N 15 124.166 0.024 13 1 . . . . 2 T N . 17785 1 9 . 1 1 3 3 GLU H H 1 8.444 0.007 14 1 . . . . 3 E H . 17785 1 10 . 1 1 3 3 GLU C C 13 175.038 0.002 3 1 . . . . 3 E C . 17785 1 11 . 1 1 3 3 GLU CA C 13 54.604 0.080 6 1 . . . . 3 E CA . 17785 1 12 . 1 1 3 3 GLU CB C 13 31.930 0.077 3 1 . . . . 3 E CB . 17785 1 13 . 1 1 3 3 GLU N N 15 127.539 0.062 14 1 . . . . 3 E N . 17785 1 14 . 1 1 4 4 TYR H H 1 8.751 0.003 13 1 . . . . 4 Y H . 17785 1 15 . 1 1 4 4 TYR C C 13 174.596 0.019 3 1 . . . . 4 Y C . 17785 1 16 . 1 1 4 4 TYR CA C 13 57.289 0.078 6 1 . . . . 4 Y CA . 17785 1 17 . 1 1 4 4 TYR CB C 13 41.994 0.109 3 1 . . . . 4 Y CB . 17785 1 18 . 1 1 4 4 TYR N N 15 122.592 0.015 13 1 . . . . 4 Y N . 17785 1 19 . 1 1 5 5 LYS H H 1 9.129 0.003 13 1 . . . . 5 K H . 17785 1 20 . 1 1 5 5 LYS C C 13 175.130 0.013 3 1 . . . . 5 K C . 17785 1 21 . 1 1 5 5 LYS CA C 13 55.885 0.059 6 1 . . . . 5 K CA . 17785 1 22 . 1 1 5 5 LYS CB C 13 32.433 0.043 3 1 . . . . 5 K CB . 17785 1 23 . 1 1 5 5 LYS N N 15 123.622 0.020 13 1 . . . . 5 K N . 17785 1 24 . 1 1 6 6 LEU H H 1 9.272 0.005 12 1 . . . . 6 L H . 17785 1 25 . 1 1 6 6 LEU C C 13 175.605 0.015 2 1 . . . . 6 L C . 17785 1 26 . 1 1 6 6 LEU CA C 13 53.502 0.053 6 1 . . . . 6 L CA . 17785 1 27 . 1 1 6 6 LEU CB C 13 43.550 0.079 3 1 . . . . 6 L CB . 17785 1 28 . 1 1 6 6 LEU N N 15 126.329 0.026 12 1 . . . . 6 L N . 17785 1 29 . 1 1 7 7 VAL H H 1 8.083 0.003 13 1 . . . . 7 V H . 17785 1 30 . 1 1 7 7 VAL C C 13 174.115 0.040 3 1 . . . . 7 V C . 17785 1 31 . 1 1 7 7 VAL CA C 13 61.192 0.053 5 1 . . . . 7 V CA . 17785 1 32 . 1 1 7 7 VAL CB C 13 33.969 0.025 2 1 . . . . 7 V CB . 17785 1 33 . 1 1 7 7 VAL N N 15 121.945 0.021 13 1 . . . . 7 V N . 17785 1 34 . 1 1 8 8 VAL H H 1 8.825 0.003 10 1 . . . . 8 V H . 17785 1 35 . 1 1 8 8 VAL C C 13 175.213 0.005 3 1 . . . . 8 V C . 17785 1 36 . 1 1 8 8 VAL CA C 13 62.370 0.101 6 1 . . . . 8 V CA . 17785 1 37 . 1 1 8 8 VAL CB C 13 32.589 0.002 2 1 . . . . 8 V CB . 17785 1 38 . 1 1 8 8 VAL N N 15 129.328 0.054 10 1 . . . . 8 V N . 17785 1 39 . 1 1 9 9 VAL H H 1 9.099 0.004 13 1 . . . . 9 V H . 17785 1 40 . 1 1 9 9 VAL C C 13 173.064 0.000 1 1 . . . . 9 V C . 17785 1 41 . 1 1 9 9 VAL CA C 13 59.323 0.004 2 1 . . . . 9 V CA . 17785 1 42 . 1 1 9 9 VAL CB C 13 35.589 0.000 1 1 . . . . 9 V CB . 17785 1 43 . 1 1 9 9 VAL N N 15 120.334 0.029 13 1 . . . . 9 V N . 17785 1 44 . 1 1 13 13 GLY C C 13 174.473 0.135 2 1 . . . . 13 G C . 17785 1 45 . 1 1 13 13 GLY CA C 13 46.516 0.025 4 1 . . . . 13 G CA . 17785 1 46 . 1 1 14 14 VAL H H 1 7.429 0.003 11 1 . . . . 14 V H . 17785 1 47 . 1 1 14 14 VAL C C 13 174.435 0.057 3 1 . . . . 14 V C . 17785 1 48 . 1 1 14 14 VAL CA C 13 63.181 0.033 5 1 . . . . 14 V CA . 17785 1 49 . 1 1 14 14 VAL CB C 13 32.081 0.025 3 1 . . . . 14 V CB . 17785 1 50 . 1 1 14 14 VAL N N 15 112.321 0.012 11 1 . . . . 14 V N . 17785 1 51 . 1 1 15 15 GLY H H 1 8.331 0.003 11 1 . . . . 15 G H . 17785 1 52 . 1 1 15 15 GLY CA C 13 46.070 0.114 3 1 . . . . 15 G CA . 17785 1 53 . 1 1 15 15 GLY N N 15 108.291 0.066 11 1 . . . . 15 G N . 17785 1 54 . 1 1 16 16 LYS H H 1 8.152 0.000 0 1 . . . . 16 K H . 17785 1 55 . 1 1 16 16 LYS N N 15 119.657 0.000 0 1 . . . . 16 K N . 17785 1 56 . 1 1 23 23 LEU C C 13 178.214 0.005 2 1 . . . . 23 L C . 17785 1 57 . 1 1 23 23 LEU CA C 13 58.496 0.062 4 1 . . . . 23 L CA . 17785 1 58 . 1 1 23 23 LEU CB C 13 40.822 0.022 2 1 . . . . 23 L CB . 17785 1 59 . 1 1 24 24 ILE H H 1 8.093 0.002 13 1 . . . . 24 I H . 17785 1 60 . 1 1 24 24 ILE C C 13 177.481 0.005 3 1 . . . . 24 I C . 17785 1 61 . 1 1 24 24 ILE CA C 13 62.361 0.096 5 1 . . . . 24 I CA . 17785 1 62 . 1 1 24 24 ILE CB C 13 37.590 0.125 2 1 . . . . 24 I CB . 17785 1 63 . 1 1 24 24 ILE N N 15 113.930 0.035 13 1 . . . . 24 I N . 17785 1 64 . 1 1 25 25 GLN H H 1 8.927 0.009 11 1 . . . . 25 Q H . 17785 1 65 . 1 1 25 25 GLN C C 13 176.212 0.020 3 1 . . . . 25 Q C . 17785 1 66 . 1 1 25 25 GLN CA C 13 55.552 0.113 6 1 . . . . 25 Q CA . 17785 1 67 . 1 1 25 25 GLN CB C 13 30.541 0.055 3 1 . . . . 25 Q CB . 17785 1 68 . 1 1 25 25 GLN N N 15 116.155 0.013 11 1 . . . . 25 Q N . 17785 1 69 . 1 1 26 26 ASN H H 1 8.031 0.003 13 1 . . . . 26 N H . 17785 1 70 . 1 1 26 26 ASN C C 13 174.085 0.010 3 1 . . . . 26 N C . 17785 1 71 . 1 1 26 26 ASN CA C 13 54.717 0.091 6 1 . . . . 26 N CA . 17785 1 72 . 1 1 26 26 ASN CB C 13 37.492 0.067 2 1 . . . . 26 N CB . 17785 1 73 . 1 1 26 26 ASN N N 15 116.828 0.013 13 1 . . . . 26 N N . 17785 1 74 . 1 1 27 27 HIS H H 1 6.708 0.005 10 1 . . . . 27 H H . 17785 1 75 . 1 1 27 27 HIS C C 13 172.345 0.000 3 1 . . . . 27 H C . 17785 1 76 . 1 1 27 27 HIS CA C 13 54.647 0.015 4 1 . . . . 27 H CA . 17785 1 77 . 1 1 27 27 HIS CB C 13 32.097 0.029 3 1 . . . . 27 H CB . 17785 1 78 . 1 1 27 27 HIS N N 15 110.906 0.019 10 1 . . . . 27 H N . 17785 1 79 . 1 1 28 28 PHE H H 1 8.629 0.004 13 1 . . . . 28 F H . 17785 1 80 . 1 1 28 28 PHE C C 13 174.489 0.000 1 1 . . . . 28 F C . 17785 1 81 . 1 1 28 28 PHE CA C 13 55.828 0.026 2 1 . . . . 28 F CA . 17785 1 82 . 1 1 28 28 PHE CB C 13 40.262 0.000 1 1 . . . . 28 F CB . 17785 1 83 . 1 1 28 28 PHE N N 15 122.837 0.018 13 1 . . . . 28 F N . 17785 1 84 . 1 1 31 31 GLU H H 1 8.244 0.000 0 1 . . . . 31 E H . 17785 1 85 . 1 1 31 31 GLU N N 15 120.979 0.000 0 1 . . . . 31 E N . 17785 1 86 . 1 1 32 32 TYR H H 1 8.198 0.000 0 1 . . . . 32 Y H . 17785 1 87 . 1 1 32 32 TYR N N 15 121.572 0.000 0 1 . . . . 32 Y N . 17785 1 88 . 1 1 42 42 LYS H H 1 8.893 0.000 0 1 . . . . 42 K H . 17785 1 89 . 1 1 42 42 LYS C C 13 173.631 0.004 2 1 . . . . 42 K C . 17785 1 90 . 1 1 42 42 LYS CA C 13 55.847 0.100 4 1 . . . . 42 K CA . 17785 1 91 . 1 1 42 42 LYS CB C 13 37.993 0.000 2 1 . . . . 42 K CB . 17785 1 92 . 1 1 42 42 LYS N N 15 128.721 0.000 0 1 . . . . 42 K N . 17785 1 93 . 1 1 43 43 GLN H H 1 8.888 0.004 13 1 . . . . 43 Q H . 17785 1 94 . 1 1 43 43 GLN C C 13 175.218 0.004 3 1 . . . . 43 Q C . 17785 1 95 . 1 1 43 43 GLN CA C 13 55.662 0.084 6 1 . . . . 43 Q CA . 17785 1 96 . 1 1 43 43 GLN CB C 13 29.978 0.025 3 1 . . . . 43 Q CB . 17785 1 97 . 1 1 43 43 GLN N N 15 129.038 0.047 13 1 . . . . 43 Q N . 17785 1 98 . 1 1 44 44 VAL H H 1 9.054 0.004 14 1 . . . . 44 V H . 17785 1 99 . 1 1 44 44 VAL C C 13 173.081 0.006 3 1 . . . . 44 V C . 17785 1 100 . 1 1 44 44 VAL CA C 13 59.976 0.096 7 1 . . . . 44 V CA . 17785 1 101 . 1 1 44 44 VAL CB C 13 36.131 0.053 3 1 . . . . 44 V CB . 17785 1 102 . 1 1 44 44 VAL N N 15 121.712 0.097 14 1 . . . . 44 V N . 17785 1 103 . 1 1 45 45 VAL H H 1 8.138 0.002 13 1 . . . . 45 V H . 17785 1 104 . 1 1 45 45 VAL C C 13 175.636 0.012 3 1 . . . . 45 V C . 17785 1 105 . 1 1 45 45 VAL CA C 13 62.055 0.083 6 1 . . . . 45 V CA . 17785 1 106 . 1 1 45 45 VAL CB C 13 32.213 0.074 3 1 . . . . 45 V CB . 17785 1 107 . 1 1 45 45 VAL N N 15 122.464 0.012 13 1 . . . . 45 V N . 17785 1 108 . 1 1 46 46 ILE H H 1 8.359 0.002 13 1 . . . . 46 I H . 17785 1 109 . 1 1 46 46 ILE C C 13 176.395 0.021 3 1 . . . . 46 I C . 17785 1 110 . 1 1 46 46 ILE CA C 13 60.599 0.097 6 1 . . . . 46 I CA . 17785 1 111 . 1 1 46 46 ILE CB C 13 39.786 0.134 5 1 . . . . 46 I CB . 17785 1 112 . 1 1 46 46 ILE N N 15 126.412 0.073 13 1 . . . . 46 I N . 17785 1 113 . 1 1 47 47 ASP H H 1 9.496 0.003 14 1 . . . . 47 D H . 17785 1 114 . 1 1 47 47 ASP C C 13 176.134 0.007 2 1 . . . . 47 D C . 17785 1 115 . 1 1 47 47 ASP CA C 13 55.555 0.085 6 1 . . . . 47 D CA . 17785 1 116 . 1 1 47 47 ASP CB C 13 39.618 0.036 3 1 . . . . 47 D CB . 17785 1 117 . 1 1 47 47 ASP N N 15 130.015 0.084 14 1 . . . . 47 D N . 17785 1 118 . 1 1 48 48 GLY H H 1 8.260 0.005 12 1 . . . . 48 G H . 17785 1 119 . 1 1 48 48 GLY C C 13 173.029 0.015 3 1 . . . . 48 G C . 17785 1 120 . 1 1 48 48 GLY CA C 13 45.461 0.072 7 1 . . . . 48 G CA . 17785 1 121 . 1 1 48 48 GLY N N 15 133.870 0.044 12 1 . . . . 48 G N . 17785 1 122 . 1 1 49 49 GLU H H 1 7.746 0.009 15 1 . . . . 49 E H . 17785 1 123 . 1 1 49 49 GLU C C 13 175.686 0.064 4 1 . . . . 49 E C . 17785 1 124 . 1 1 49 49 GLU CA C 13 54.789 0.082 7 1 . . . . 49 E CA . 17785 1 125 . 1 1 49 49 GLU CB C 13 31.909 0.104 3 1 . . . . 49 E CB . 17785 1 126 . 1 1 49 49 GLU N N 15 123.065 0.077 15 1 . . . . 49 E N . 17785 1 127 . 1 1 50 50 THR H H 1 9.094 0.004 13 1 . . . . 50 T H . 17785 1 128 . 1 1 50 50 THR C C 13 173.736 0.021 2 1 . . . . 50 T C . 17785 1 129 . 1 1 50 50 THR CA C 13 64.521 0.121 5 1 . . . . 50 T CA . 17785 1 130 . 1 1 50 50 THR CB C 13 68.233 0.132 3 1 . . . . 50 T CB . 17785 1 131 . 1 1 50 50 THR N N 15 125.451 0.054 13 1 . . . . 50 T N . 17785 1 132 . 1 1 51 51 CYS H H 1 9.309 0.002 11 1 . . . . 51 C H . 17785 1 133 . 1 1 51 51 CYS C C 13 171.979 0.016 3 1 . . . . 51 C C . 17785 1 134 . 1 1 51 51 CYS CA C 13 57.775 0.083 6 1 . . . . 51 C CA . 17785 1 135 . 1 1 51 51 CYS CB C 13 30.279 0.056 2 1 . . . . 51 C CB . 17785 1 136 . 1 1 51 51 CYS N N 15 127.370 0.021 11 1 . . . . 51 C N . 17785 1 137 . 1 1 52 52 LEU H H 1 8.630 0.004 12 1 . . . . 52 L H . 17785 1 138 . 1 1 52 52 LEU C C 13 174.804 0.002 2 1 . . . . 52 L C . 17785 1 139 . 1 1 52 52 LEU CA C 13 54.041 0.061 6 1 . . . . 52 L CA . 17785 1 140 . 1 1 52 52 LEU CB C 13 42.493 0.305 3 1 . . . . 52 L CB . 17785 1 141 . 1 1 52 52 LEU N N 15 125.574 0.051 12 1 . . . . 52 L N . 17785 1 142 . 1 1 53 53 LEU H H 1 9.174 0.001 8 1 . . . . 53 L H . 17785 1 143 . 1 1 53 53 LEU N N 15 124.716 0.009 8 1 . . . . 53 L N . 17785 1 144 . 1 1 65 65 SER C C 13 176.659 0.047 2 1 . . . . 65 S C . 17785 1 145 . 1 1 65 65 SER CA C 13 57.114 0.072 4 1 . . . . 65 S CA . 17785 1 146 . 1 1 66 66 ALA H H 1 8.303 0.003 13 1 . . . . 66 A H . 17785 1 147 . 1 1 66 66 ALA C C 13 176.664 0.009 3 1 . . . . 66 A C . 17785 1 148 . 1 1 66 66 ALA CA C 13 52.754 0.062 6 1 . . . . 66 A CA . 17785 1 149 . 1 1 66 66 ALA CB C 13 19.498 0.101 3 1 . . . . 66 A CB . 17785 1 150 . 1 1 66 66 ALA N N 15 123.922 0.026 13 1 . . . . 66 A N . 17785 1 151 . 1 1 67 67 MET H H 1 7.849 0.002 12 1 . . . . 67 M H . 17785 1 152 . 1 1 67 67 MET CA C 13 58.261 0.060 2 1 . . . . 67 M CA . 17785 1 153 . 1 1 67 67 MET CB C 13 33.806 0.000 1 1 . . . . 67 M CB . 17785 1 154 . 1 1 67 67 MET N N 15 125.444 0.018 12 1 . . . . 67 M N . 17785 1 155 . 1 1 73 73 ARG C C 13 178.175 0.000 1 1 . . . . 73 R C . 17785 1 156 . 1 1 73 73 ARG CA C 13 59.910 0.064 3 1 . . . . 73 R CA . 17785 1 157 . 1 1 73 73 ARG CB C 13 30.677 0.000 1 1 . . . . 73 R CB . 17785 1 158 . 1 1 74 74 THR H H 1 7.632 0.005 10 1 . . . . 74 T H . 17785 1 159 . 1 1 74 74 THR C C 13 175.839 0.025 2 1 . . . . 74 T C . 17785 1 160 . 1 1 74 74 THR CA C 13 63.505 0.168 6 1 . . . . 74 T CA . 17785 1 161 . 1 1 74 74 THR CB C 13 69.674 0.047 3 1 . . . . 74 T CB . 17785 1 162 . 1 1 74 74 THR N N 15 108.646 0.024 10 1 . . . . 74 T N . 17785 1 163 . 1 1 75 75 GLY H H 1 7.836 0.003 11 1 . . . . 75 G H . 17785 1 164 . 1 1 75 75 GLY C C 13 172.336 0.006 3 1 . . . . 75 G C . 17785 1 165 . 1 1 75 75 GLY CA C 13 46.853 0.011 6 1 . . . . 75 G CA . 17785 1 166 . 1 1 75 75 GLY N N 15 107.853 0.010 11 1 . . . . 75 G N . 17785 1 167 . 1 1 76 76 GLU H H 1 8.629 0.011 9 1 . . . . 76 E H . 17785 1 168 . 1 1 76 76 GLU C C 13 176.518 0.000 2 1 . . . . 76 E C . 17785 1 169 . 1 1 76 76 GLU CA C 13 56.856 0.153 5 1 . . . . 76 E CA . 17785 1 170 . 1 1 76 76 GLU CB C 13 32.388 0.135 2 1 . . . . 76 E CB . 17785 1 171 . 1 1 76 76 GLU N N 15 120.625 0.062 9 1 . . . . 76 E N . 17785 1 172 . 1 1 77 77 GLY H H 1 7.203 0.003 11 1 . . . . 77 G H . 17785 1 173 . 1 1 77 77 GLY C C 13 170.739 0.002 3 1 . . . . 77 G C . 17785 1 174 . 1 1 77 77 GLY CA C 13 45.651 0.136 6 1 . . . . 77 G CA . 17785 1 175 . 1 1 77 77 GLY N N 15 131.672 0.025 11 1 . . . . 77 G N . 17785 1 176 . 1 1 78 78 PHE H H 1 8.175 0.004 11 1 . . . . 78 F H . 17785 1 177 . 1 1 78 78 PHE C C 13 173.563 0.008 3 1 . . . . 78 F C . 17785 1 178 . 1 1 78 78 PHE CA C 13 57.351 0.081 6 1 . . . . 78 F CA . 17785 1 179 . 1 1 78 78 PHE CB C 13 42.860 0.047 2 1 . . . . 78 F CB . 17785 1 180 . 1 1 78 78 PHE N N 15 121.036 0.029 11 1 . . . . 78 F N . 17785 1 181 . 1 1 79 79 LEU H H 1 9.257 0.002 10 1 . . . . 79 L H . 17785 1 182 . 1 1 79 79 LEU C C 13 174.597 0.017 2 1 . . . . 79 L C . 17785 1 183 . 1 1 79 79 LEU CA C 13 54.214 0.025 5 1 . . . . 79 L CA . 17785 1 184 . 1 1 79 79 LEU CB C 13 43.037 0.092 3 1 . . . . 79 L CB . 17785 1 185 . 1 1 79 79 LEU N N 15 127.499 0.026 10 1 . . . . 79 L N . 17785 1 186 . 1 1 80 80 CYS H H 1 8.784 0.004 13 1 . . . . 80 C H . 17785 1 187 . 1 1 80 80 CYS C C 13 172.746 0.005 3 1 . . . . 80 C C . 17785 1 188 . 1 1 80 80 CYS CA C 13 58.140 0.044 6 1 . . . . 80 C CA . 17785 1 189 . 1 1 80 80 CYS CB C 13 27.545 0.049 3 1 . . . . 80 C CB . 17785 1 190 . 1 1 80 80 CYS N N 15 124.962 0.016 13 1 . . . . 80 C N . 17785 1 191 . 1 1 81 81 VAL H H 1 9.087 0.005 13 1 . . . . 81 V H . 17785 1 192 . 1 1 81 81 VAL C C 13 175.076 0.005 3 1 . . . . 81 V C . 17785 1 193 . 1 1 81 81 VAL CA C 13 61.709 0.083 6 1 . . . . 81 V CA . 17785 1 194 . 1 1 81 81 VAL CB C 13 33.474 0.098 3 1 . . . . 81 V CB . 17785 1 195 . 1 1 81 81 VAL N N 15 126.362 0.028 13 1 . . . . 81 V N . 17785 1 196 . 1 1 82 82 PHE H H 1 9.315 0.004 13 1 . . . . 82 F H . 17785 1 197 . 1 1 82 82 PHE C C 13 171.227 0.002 3 1 . . . . 82 F C . 17785 1 198 . 1 1 82 82 PHE CA C 13 55.565 0.074 6 1 . . . . 82 F CA . 17785 1 199 . 1 1 82 82 PHE CB C 13 40.797 0.191 3 1 . . . . 82 F CB . 17785 1 200 . 1 1 82 82 PHE N N 15 123.749 0.016 13 1 . . . . 82 F N . 17785 1 201 . 1 1 83 83 ALA H H 1 8.773 0.005 13 1 . . . . 83 A H . 17785 1 202 . 1 1 83 83 ALA C C 13 179.212 0.008 3 1 . . . . 83 A C . 17785 1 203 . 1 1 83 83 ALA CA C 13 50.057 0.055 6 1 . . . . 83 A CA . 17785 1 204 . 1 1 83 83 ALA CB C 13 21.706 0.004 3 1 . . . . 83 A CB . 17785 1 205 . 1 1 83 83 ALA N N 15 121.545 0.023 13 1 . . . . 83 A N . 17785 1 206 . 1 1 84 84 ILE H H 1 8.502 0.004 13 1 . . . . 84 I H . 17785 1 207 . 1 1 84 84 ILE C C 13 174.033 0.028 3 1 . . . . 84 I C . 17785 1 208 . 1 1 84 84 ILE CA C 13 63.650 0.087 6 1 . . . . 84 I CA . 17785 1 209 . 1 1 84 84 ILE CB C 13 38.243 0.155 3 1 . . . . 84 I CB . 17785 1 210 . 1 1 84 84 ILE N N 15 113.652 0.020 13 1 . . . . 84 I N . 17785 1 211 . 1 1 85 85 ASN H H 1 7.911 0.002 12 1 . . . . 85 N H . 17785 1 212 . 1 1 85 85 ASN C C 13 174.670 0.009 3 1 . . . . 85 N C . 17785 1 213 . 1 1 85 85 ASN CA C 13 52.494 0.076 5 1 . . . . 85 N CA . 17785 1 214 . 1 1 85 85 ASN CB C 13 38.037 0.000 2 1 . . . . 85 N CB . 17785 1 215 . 1 1 85 85 ASN N N 15 116.947 0.007 12 1 . . . . 85 N N . 17785 1 216 . 1 1 86 86 ASN H H 1 7.870 0.003 12 1 . . . . 86 N H . 17785 1 217 . 1 1 86 86 ASN C C 13 175.195 0.010 2 1 . . . . 86 N C . 17785 1 218 . 1 1 86 86 ASN CA C 13 52.217 0.200 5 1 . . . . 86 N CA . 17785 1 219 . 1 1 86 86 ASN CB C 13 39.185 0.043 3 1 . . . . 86 N CB . 17785 1 220 . 1 1 86 86 ASN N N 15 119.032 0.017 12 1 . . . . 86 N N . 17785 1 221 . 1 1 87 87 THR H H 1 9.248 0.006 9 1 . . . . 87 T H . 17785 1 222 . 1 1 87 87 THR C C 13 176.146 0.000 1 1 . . . . 87 T C . 17785 1 223 . 1 1 87 87 THR CA C 13 67.146 0.048 6 1 . . . . 87 T CA . 17785 1 224 . 1 1 87 87 THR CB C 13 68.726 0.076 2 1 . . . . 87 T CB . 17785 1 225 . 1 1 87 87 THR N N 15 124.350 0.029 9 1 . . . . 87 T N . 17785 1 226 . 1 1 88 88 LYS H H 1 8.435 0.003 12 1 . . . . 88 K H . 17785 1 227 . 1 1 88 88 LYS C C 13 178.099 0.018 3 1 . . . . 88 K C . 17785 1 228 . 1 1 88 88 LYS CA C 13 59.867 0.111 6 1 . . . . 88 K CA . 17785 1 229 . 1 1 88 88 LYS CB C 13 31.393 0.097 3 1 . . . . 88 K CB . 17785 1 230 . 1 1 88 88 LYS N N 15 124.281 0.020 12 1 . . . . 88 K N . 17785 1 231 . 1 1 89 89 SER H H 1 7.989 0.003 13 1 . . . . 89 S H . 17785 1 232 . 1 1 89 89 SER C C 13 175.786 0.002 2 1 . . . . 89 S C . 17785 1 233 . 1 1 89 89 SER CA C 13 61.974 0.059 5 1 . . . . 89 S CA . 17785 1 234 . 1 1 89 89 SER CB C 13 63.892 0.088 3 1 . . . . 89 S CB . 17785 1 235 . 1 1 89 89 SER N N 15 114.526 0.022 13 1 . . . . 89 S N . 17785 1 236 . 1 1 90 90 PHE H H 1 7.450 0.003 11 1 . . . . 90 F H . 17785 1 237 . 1 1 90 90 PHE C C 13 177.202 0.010 3 1 . . . . 90 F C . 17785 1 238 . 1 1 90 90 PHE CA C 13 60.228 0.053 5 1 . . . . 90 F CA . 17785 1 239 . 1 1 90 90 PHE CB C 13 40.148 0.040 3 1 . . . . 90 F CB . 17785 1 240 . 1 1 90 90 PHE N N 15 124.962 0.022 11 1 . . . . 90 F N . 17785 1 241 . 1 1 91 91 GLU H H 1 8.409 0.003 13 1 . . . . 91 E H . 17785 1 242 . 1 1 91 91 GLU C C 13 179.438 0.012 3 1 . . . . 91 E C . 17785 1 243 . 1 1 91 91 GLU CA C 13 59.496 0.083 7 1 . . . . 91 E CA . 17785 1 244 . 1 1 91 91 GLU CB C 13 29.329 0.123 3 1 . . . . 91 E CB . 17785 1 245 . 1 1 91 91 GLU N N 15 121.771 0.019 13 1 . . . . 91 E N . 17785 1 246 . 1 1 92 92 ASP H H 1 8.534 0.005 13 1 . . . . 92 D H . 17785 1 247 . 1 1 92 92 ASP C C 13 178.052 0.005 2 1 . . . . 92 D C . 17785 1 248 . 1 1 92 92 ASP CA C 13 56.563 0.045 6 1 . . . . 92 D CA . 17785 1 249 . 1 1 92 92 ASP CB C 13 41.087 0.041 3 1 . . . . 92 D CB . 17785 1 250 . 1 1 92 92 ASP N N 15 117.122 0.016 13 1 . . . . 92 D N . 17785 1 251 . 1 1 93 93 ILE H H 1 7.624 0.003 12 1 . . . . 93 I H . 17785 1 252 . 1 1 93 93 ILE C C 13 177.731 0.013 3 1 . . . . 93 I C . 17785 1 253 . 1 1 93 93 ILE CA C 13 62.770 0.130 5 1 . . . . 93 I CA . 17785 1 254 . 1 1 93 93 ILE CB C 13 34.512 0.232 2 1 . . . . 93 I CB . 17785 1 255 . 1 1 93 93 ILE N N 15 120.868 0.024 12 1 . . . . 93 I N . 17785 1 256 . 1 1 94 94 HIS H H 1 7.938 0.008 11 1 . . . . 94 H H . 17785 1 257 . 1 1 94 94 HIS C C 13 177.003 0.020 3 1 . . . . 94 H C . 17785 1 258 . 1 1 94 94 HIS CA C 13 59.814 0.050 6 1 . . . . 94 H CA . 17785 1 259 . 1 1 94 94 HIS CB C 13 29.370 0.035 2 1 . . . . 94 H CB . 17785 1 260 . 1 1 94 94 HIS N N 15 116.521 0.033 11 1 . . . . 94 H N . 17785 1 261 . 1 1 95 95 HIS H H 1 7.266 0.004 12 1 . . . . 95 H H . 17785 1 262 . 1 1 95 95 HIS C C 13 177.980 0.006 3 1 . . . . 95 H C . 17785 1 263 . 1 1 95 95 HIS CA C 13 58.435 0.040 6 1 . . . . 95 H CA . 17785 1 264 . 1 1 95 95 HIS CB C 13 28.650 0.130 3 1 . . . . 95 H CB . 17785 1 265 . 1 1 95 95 HIS N N 15 116.916 0.010 12 1 . . . . 95 H N . 17785 1 266 . 1 1 96 96 TYR H H 1 7.707 0.003 13 1 . . . . 96 Y H . 17785 1 267 . 1 1 96 96 TYR C C 13 177.447 0.009 2 1 . . . . 96 Y C . 17785 1 268 . 1 1 96 96 TYR CA C 13 63.537 0.127 5 1 . . . . 96 Y CA . 17785 1 269 . 1 1 96 96 TYR CB C 13 38.056 0.180 3 1 . . . . 96 Y CB . 17785 1 270 . 1 1 96 96 TYR N N 15 119.045 0.012 13 1 . . . . 96 Y N . 17785 1 271 . 1 1 97 97 ARG H H 1 8.377 0.001 11 1 . . . . 97 R H . 17785 1 272 . 1 1 97 97 ARG C C 13 177.380 0.021 3 1 . . . . 97 R C . 17785 1 273 . 1 1 97 97 ARG CA C 13 60.279 0.053 5 1 . . . . 97 R CA . 17785 1 274 . 1 1 97 97 ARG CB C 13 28.983 0.055 2 1 . . . . 97 R CB . 17785 1 275 . 1 1 97 97 ARG N N 15 118.185 0.006 11 1 . . . . 97 R N . 17785 1 276 . 1 1 98 98 GLU H H 1 7.853 0.002 11 1 . . . . 98 E H . 17785 1 277 . 1 1 98 98 GLU C C 13 178.818 0.008 3 1 . . . . 98 E C . 17785 1 278 . 1 1 98 98 GLU CA C 13 59.423 0.101 6 1 . . . . 98 E CA . 17785 1 279 . 1 1 98 98 GLU CB C 13 29.217 0.139 3 1 . . . . 98 E CB . 17785 1 280 . 1 1 98 98 GLU N N 15 116.880 0.015 11 1 . . . . 98 E N . 17785 1 281 . 1 1 99 99 GLN H H 1 7.853 0.002 13 1 . . . . 99 Q H . 17785 1 282 . 1 1 99 99 GLN C C 13 177.474 0.006 3 1 . . . . 99 Q C . 17785 1 283 . 1 1 99 99 GLN CA C 13 59.361 0.066 5 1 . . . . 99 Q CA . 17785 1 284 . 1 1 99 99 GLN CB C 13 28.287 0.058 3 1 . . . . 99 Q CB . 17785 1 285 . 1 1 99 99 GLN N N 15 119.941 0.019 13 1 . . . . 99 Q N . 17785 1 286 . 1 1 100 100 ILE H H 1 8.043 0.006 12 1 . . . . 100 I H . 17785 1 287 . 1 1 100 100 ILE C C 13 177.217 0.005 3 1 . . . . 100 I C . 17785 1 288 . 1 1 100 100 ILE CA C 13 66.039 0.163 6 1 . . . . 100 I CA . 17785 1 289 . 1 1 100 100 ILE CB C 13 38.179 0.164 3 1 . . . . 100 I CB . 17785 1 290 . 1 1 100 100 ILE N N 15 119.957 0.011 12 1 . . . . 100 I N . 17785 1 291 . 1 1 101 101 LYS H H 1 7.762 0.003 13 1 . . . . 101 K H . 17785 1 292 . 1 1 101 101 LYS C C 13 179.295 0.115 4 1 . . . . 101 K C . 17785 1 293 . 1 1 101 101 LYS CA C 13 60.012 0.071 5 1 . . . . 101 K CA . 17785 1 294 . 1 1 101 101 LYS CB C 13 32.404 0.154 3 1 . . . . 101 K CB . 17785 1 295 . 1 1 101 101 LYS N N 15 117.199 0.019 13 1 . . . . 101 K N . 17785 1 296 . 1 1 102 102 ARG H H 1 7.710 0.004 12 1 . . . . 102 R H . 17785 1 297 . 1 1 102 102 ARG C C 13 179.461 0.000 1 1 . . . . 102 R C . 17785 1 298 . 1 1 102 102 ARG CA C 13 59.299 0.090 5 1 . . . . 102 R CA . 17785 1 299 . 1 1 102 102 ARG CB C 13 30.124 0.071 2 1 . . . . 102 R CB . 17785 1 300 . 1 1 102 102 ARG N N 15 118.175 0.015 12 1 . . . . 102 R N . 17785 1 301 . 1 1 103 103 VAL H H 1 8.282 0.006 10 1 . . . . 103 V H . 17785 1 302 . 1 1 103 103 VAL C C 13 177.937 0.009 2 1 . . . . 103 V C . 17785 1 303 . 1 1 103 103 VAL CA C 13 65.815 0.134 6 1 . . . . 103 V CA . 17785 1 304 . 1 1 103 103 VAL CB C 13 31.521 0.085 3 1 . . . . 103 V CB . 17785 1 305 . 1 1 103 103 VAL N N 15 118.663 0.021 10 1 . . . . 103 V N . 17785 1 306 . 1 1 104 104 LYS H H 1 8.116 0.004 12 1 . . . . 104 K H . 17785 1 307 . 1 1 104 104 LYS C C 13 175.887 0.001 2 1 . . . . 104 K C . 17785 1 308 . 1 1 104 104 LYS CA C 13 55.571 0.024 5 1 . . . . 104 K CA . 17785 1 309 . 1 1 104 104 LYS CB C 13 31.102 0.093 3 1 . . . . 104 K CB . 17785 1 310 . 1 1 104 104 LYS N N 15 116.244 0.018 12 1 . . . . 104 K N . 17785 1 311 . 1 1 105 105 ASP H H 1 7.942 0.002 11 1 . . . . 105 D H . 17785 1 312 . 1 1 105 105 ASP C C 13 174.569 0.018 3 1 . . . . 105 D C . 17785 1 313 . 1 1 105 105 ASP CA C 13 54.796 0.065 6 1 . . . . 105 D CA . 17785 1 314 . 1 1 105 105 ASP CB C 13 39.694 0.100 3 1 . . . . 105 D CB . 17785 1 315 . 1 1 105 105 ASP N N 15 120.853 0.023 11 1 . . . . 105 D N . 17785 1 316 . 1 1 106 106 SER H H 1 7.583 0.004 13 1 . . . . 106 S H . 17785 1 317 . 1 1 106 106 SER C C 13 173.274 0.018 3 1 . . . . 106 S C . 17785 1 318 . 1 1 106 106 SER CA C 13 57.308 0.084 5 1 . . . . 106 S CA . 17785 1 319 . 1 1 106 106 SER CB C 13 65.331 0.077 3 1 . . . . 106 S CB . 17785 1 320 . 1 1 106 106 SER N N 15 109.276 0.004 13 1 . . . . 106 S N . 17785 1 321 . 1 1 107 107 GLU H H 1 8.423 0.002 12 1 . . . . 107 E H . 17785 1 322 . 1 1 107 107 GLU CA C 13 54.457 1.585 3 1 . . . . 107 E CA . 17785 1 323 . 1 1 107 107 GLU CB C 13 30.429 0.000 1 1 . . . . 107 E CB . 17785 1 324 . 1 1 107 107 GLU N N 15 121.360 0.056 12 1 . . . . 107 E N . 17785 1 325 . 1 1 110 110 PRO C C 13 175.913 0.005 2 1 . . . . 110 P C . 17785 1 326 . 1 1 110 110 PRO CA C 13 63.937 0.026 4 1 . . . . 110 P CA . 17785 1 327 . 1 1 110 110 PRO CB C 13 32.304 0.095 2 1 . . . . 110 P CB . 17785 1 328 . 1 1 111 111 MET H H 1 8.308 0.005 13 1 . . . . 111 M H . 17785 1 329 . 1 1 111 111 MET C C 13 173.586 0.014 3 1 . . . . 111 M C . 17785 1 330 . 1 1 111 111 MET CA C 13 55.515 0.030 6 1 . . . . 111 M CA . 17785 1 331 . 1 1 111 111 MET CB C 13 38.046 0.056 3 1 . . . . 111 M CB . 17785 1 332 . 1 1 111 111 MET N N 15 123.135 0.013 13 1 . . . . 111 M N . 17785 1 333 . 1 1 112 112 VAL H H 1 8.102 0.002 13 1 . . . . 112 V H . 17785 1 334 . 1 1 112 112 VAL C C 13 173.210 0.015 3 1 . . . . 112 V C . 17785 1 335 . 1 1 112 112 VAL CA C 13 61.427 0.074 6 1 . . . . 112 V CA . 17785 1 336 . 1 1 112 112 VAL CB C 13 37.360 0.097 3 1 . . . . 112 V CB . 17785 1 337 . 1 1 112 112 VAL N N 15 118.309 0.030 13 1 . . . . 112 V N . 17785 1 338 . 1 1 113 113 LEU H H 1 8.965 0.003 13 1 . . . . 113 L H . 17785 1 339 . 1 1 113 113 LEU C C 13 173.619 0.018 3 1 . . . . 113 L C . 17785 1 340 . 1 1 113 113 LEU CA C 13 54.232 0.047 6 1 . . . . 113 L CA . 17785 1 341 . 1 1 113 113 LEU CB C 13 44.086 0.032 3 1 . . . . 113 L CB . 17785 1 342 . 1 1 113 113 LEU N N 15 128.971 0.032 13 1 . . . . 113 L N . 17785 1 343 . 1 1 114 114 VAL H H 1 9.219 0.003 13 1 . . . . 114 V H . 17785 1 344 . 1 1 114 114 VAL C C 13 173.839 0.007 3 1 . . . . 114 V C . 17785 1 345 . 1 1 114 114 VAL CA C 13 60.404 0.050 6 1 . . . . 114 V CA . 17785 1 346 . 1 1 114 114 VAL CB C 13 35.170 0.037 3 1 . . . . 114 V CB . 17785 1 347 . 1 1 114 114 VAL N N 15 128.069 0.018 13 1 . . . . 114 V N . 17785 1 348 . 1 1 115 115 GLY H H 1 8.211 0.002 12 1 . . . . 115 G H . 17785 1 349 . 1 1 115 115 GLY C C 13 170.985 0.005 2 1 . . . . 115 G C . 17785 1 350 . 1 1 115 115 GLY CA C 13 45.884 0.134 6 1 . . . . 115 G CA . 17785 1 351 . 1 1 115 115 GLY N N 15 113.487 0.009 12 1 . . . . 115 G N . 17785 1 352 . 1 1 116 116 ASN H H 1 8.810 0.002 10 1 . . . . 116 N H . 17785 1 353 . 1 1 116 116 ASN C C 13 174.596 0.009 3 1 . . . . 116 N C . 17785 1 354 . 1 1 116 116 ASN CA C 13 51.967 0.115 6 1 . . . . 116 N CA . 17785 1 355 . 1 1 116 116 ASN CB C 13 41.429 0.083 3 1 . . . . 116 N CB . 17785 1 356 . 1 1 116 116 ASN N N 15 121.463 0.025 10 1 . . . . 116 N N . 17785 1 357 . 1 1 117 117 LYS H H 1 7.322 0.003 13 1 . . . . 117 K H . 17785 1 358 . 1 1 117 117 LYS C C 13 177.291 0.009 3 1 . . . . 117 K C . 17785 1 359 . 1 1 117 117 LYS CA C 13 57.793 0.076 5 1 . . . . 117 K CA . 17785 1 360 . 1 1 117 117 LYS CB C 13 29.702 0.232 3 1 . . . . 117 K CB . 17785 1 361 . 1 1 117 117 LYS N N 15 111.981 0.016 13 1 . . . . 117 K N . 17785 1 362 . 1 1 118 118 CYS H H 1 8.646 0.003 12 1 . . . . 118 C H . 17785 1 363 . 1 1 118 118 CYS C C 13 173.208 0.012 3 1 . . . . 118 C C . 17785 1 364 . 1 1 118 118 CYS CA C 13 61.670 0.141 6 1 . . . . 118 C CA . 17785 1 365 . 1 1 118 118 CYS CB C 13 26.566 0.058 3 1 . . . . 118 C CB . 17785 1 366 . 1 1 118 118 CYS N N 15 114.021 0.011 12 1 . . . . 118 C N . 17785 1 367 . 1 1 119 119 ASP H H 1 8.570 0.006 13 1 . . . . 119 D H . 17785 1 368 . 1 1 119 119 ASP C C 13 175.561 0.000 3 1 . . . . 119 D C . 17785 1 369 . 1 1 119 119 ASP CA C 13 54.293 0.095 5 1 . . . . 119 D CA . 17785 1 370 . 1 1 119 119 ASP CB C 13 41.649 0.040 3 1 . . . . 119 D CB . 17785 1 371 . 1 1 119 119 ASP N N 15 116.832 0.010 13 1 . . . . 119 D N . 17785 1 372 . 1 1 120 120 LEU H H 1 7.813 0.002 11 1 . . . . 120 L H . 17785 1 373 . 1 1 120 120 LEU C C 13 176.201 0.000 1 1 . . . . 120 L C . 17785 1 374 . 1 1 120 120 LEU CA C 13 53.459 0.050 2 1 . . . . 120 L CA . 17785 1 375 . 1 1 120 120 LEU N N 15 121.621 0.015 11 1 . . . . 120 L N . 17785 1 376 . 1 1 121 121 PRO C C 13 176.966 0.007 2 1 . . . . 121 P C . 17785 1 377 . 1 1 121 121 PRO CA C 13 63.654 0.116 4 1 . . . . 121 P CA . 17785 1 378 . 1 1 121 121 PRO CB C 13 31.699 0.145 2 1 . . . . 121 P CB . 17785 1 379 . 1 1 122 122 SER H H 1 7.269 0.003 13 1 . . . . 122 S H . 17785 1 380 . 1 1 122 122 SER C C 13 172.675 0.008 3 1 . . . . 122 S C . 17785 1 381 . 1 1 122 122 SER CA C 13 56.696 0.097 6 1 . . . . 122 S CA . 17785 1 382 . 1 1 122 122 SER CB C 13 62.686 0.089 3 1 . . . . 122 S CB . 17785 1 383 . 1 1 122 122 SER N N 15 113.220 0.014 13 1 . . . . 122 S N . 17785 1 384 . 1 1 123 123 ARG H H 1 7.842 0.002 12 1 . . . . 123 R H . 17785 1 385 . 1 1 123 123 ARG C C 13 176.064 0.004 3 1 . . . . 123 R C . 17785 1 386 . 1 1 123 123 ARG CA C 13 56.206 0.176 5 1 . . . . 123 R CA . 17785 1 387 . 1 1 123 123 ARG CB C 13 32.560 0.155 3 1 . . . . 123 R CB . 17785 1 388 . 1 1 123 123 ARG N N 15 120.429 0.007 12 1 . . . . 123 R N . 17785 1 389 . 1 1 124 124 THR H H 1 9.082 0.003 13 1 . . . . 124 T H . 17785 1 390 . 1 1 124 124 THR C C 13 174.339 0.012 3 1 . . . . 124 T C . 17785 1 391 . 1 1 124 124 THR CA C 13 62.161 0.052 6 1 . . . . 124 T CA . 17785 1 392 . 1 1 124 124 THR CB C 13 68.627 1.256 4 1 . . . . 124 T CB . 17785 1 393 . 1 1 124 124 THR N N 15 114.655 0.010 13 1 . . . . 124 T N . 17785 1 394 . 1 1 125 125 VAL H H 1 7.566 0.002 14 1 . . . . 125 V H . 17785 1 395 . 1 1 125 125 VAL C C 13 175.018 0.002 3 1 . . . . 125 V C . 17785 1 396 . 1 1 125 125 VAL CA C 13 61.847 0.103 6 1 . . . . 125 V CA . 17785 1 397 . 1 1 125 125 VAL CB C 13 33.126 0.051 3 1 . . . . 125 V CB . 17785 1 398 . 1 1 125 125 VAL N N 15 124.162 0.007 14 1 . . . . 125 V N . 17785 1 399 . 1 1 126 126 ASP H H 1 8.587 0.002 13 1 . . . . 126 D H . 17785 1 400 . 1 1 126 126 ASP C C 13 176.580 0.002 3 1 . . . . 126 D C . 17785 1 401 . 1 1 126 126 ASP CA C 13 54.565 0.068 6 1 . . . . 126 D CA . 17785 1 402 . 1 1 126 126 ASP CB C 13 42.187 0.116 3 1 . . . . 126 D CB . 17785 1 403 . 1 1 126 126 ASP N N 15 128.375 0.027 13 1 . . . . 126 D N . 17785 1 404 . 1 1 127 127 THR H H 1 8.722 0.004 13 1 . . . . 127 T H . 17785 1 405 . 1 1 127 127 THR C C 13 175.665 0.012 3 1 . . . . 127 T C . 17785 1 406 . 1 1 127 127 THR CA C 13 67.541 0.076 6 1 . . . . 127 T CA . 17785 1 407 . 1 1 127 127 THR CB C 13 69.265 0.064 3 1 . . . . 127 T CB . 17785 1 408 . 1 1 127 127 THR N N 15 121.621 0.016 13 1 . . . . 127 T N . 17785 1 409 . 1 1 128 128 LYS H H 1 8.404 0.001 13 1 . . . . 128 K H . 17785 1 410 . 1 1 128 128 LYS C C 13 178.280 0.018 3 1 . . . . 128 K C . 17785 1 411 . 1 1 128 128 LYS CA C 13 59.836 0.110 6 1 . . . . 128 K CA . 17785 1 412 . 1 1 128 128 LYS CB C 13 32.057 0.047 3 1 . . . . 128 K CB . 17785 1 413 . 1 1 128 128 LYS N N 15 120.508 0.011 13 1 . . . . 128 K N . 17785 1 414 . 1 1 129 129 GLN H H 1 7.347 0.002 13 1 . . . . 129 Q H . 17785 1 415 . 1 1 129 129 GLN C C 13 179.278 0.019 3 1 . . . . 129 Q C . 17785 1 416 . 1 1 129 129 GLN CA C 13 58.850 0.081 6 1 . . . . 129 Q CA . 17785 1 417 . 1 1 129 129 GLN CB C 13 28.731 0.013 3 1 . . . . 129 Q CB . 17785 1 418 . 1 1 129 129 GLN N N 15 117.465 0.021 13 1 . . . . 129 Q N . 17785 1 419 . 1 1 130 130 ALA H H 1 7.073 0.004 13 1 . . . . 130 A H . 17785 1 420 . 1 1 130 130 ALA C C 13 177.943 0.000 3 1 . . . . 130 A C . 17785 1 421 . 1 1 130 130 ALA CA C 13 55.110 0.091 6 1 . . . . 130 A CA . 17785 1 422 . 1 1 130 130 ALA CB C 13 18.867 0.052 3 1 . . . . 130 A CB . 17785 1 423 . 1 1 130 130 ALA N N 15 122.508 0.015 13 1 . . . . 130 A N . 17785 1 424 . 1 1 131 131 GLN H H 1 8.420 0.003 13 1 . . . . 131 Q H . 17785 1 425 . 1 1 131 131 GLN C C 13 179.411 0.008 3 1 . . . . 131 Q C . 17785 1 426 . 1 1 131 131 GLN CA C 13 59.305 0.041 6 1 . . . . 131 Q CA . 17785 1 427 . 1 1 131 131 GLN CB C 13 28.580 0.086 3 1 . . . . 131 Q CB . 17785 1 428 . 1 1 131 131 GLN N N 15 117.951 0.021 13 1 . . . . 131 Q N . 17785 1 429 . 1 1 132 132 ASP H H 1 8.501 0.004 13 1 . . . . 132 D H . 17785 1 430 . 1 1 132 132 ASP C C 13 178.866 0.000 3 1 . . . . 132 D C . 17785 1 431 . 1 1 132 132 ASP CA C 13 57.565 0.118 6 1 . . . . 132 D CA . 17785 1 432 . 1 1 132 132 ASP CB C 13 39.849 0.187 3 1 . . . . 132 D CB . 17785 1 433 . 1 1 132 132 ASP N N 15 120.415 0.014 13 1 . . . . 132 D N . 17785 1 434 . 1 1 133 133 LEU H H 1 7.544 0.004 13 1 . . . . 133 L H . 17785 1 435 . 1 1 133 133 LEU C C 13 178.873 0.009 3 1 . . . . 133 L C . 17785 1 436 . 1 1 133 133 LEU CA C 13 58.235 0.093 6 1 . . . . 133 L CA . 17785 1 437 . 1 1 133 133 LEU CB C 13 41.744 0.116 3 1 . . . . 133 L CB . 17785 1 438 . 1 1 133 133 LEU N N 15 123.591 0.017 13 1 . . . . 133 L N . 17785 1 439 . 1 1 134 134 ALA H H 1 8.248 0.005 13 1 . . . . 134 A H . 17785 1 440 . 1 1 134 134 ALA C C 13 179.832 0.025 3 1 . . . . 134 A C . 17785 1 441 . 1 1 134 134 ALA CA C 13 56.239 0.058 6 1 . . . . 134 A CA . 17785 1 442 . 1 1 134 134 ALA CB C 13 18.330 0.005 3 1 . . . . 134 A CB . 17785 1 443 . 1 1 134 134 ALA N N 15 121.629 0.011 13 1 . . . . 134 A N . 17785 1 444 . 1 1 135 135 ARG H H 1 8.467 0.003 13 1 . . . . 135 R H . 17785 1 445 . 1 1 135 135 ARG C C 13 179.976 0.011 3 1 . . . . 135 R C . 17785 1 446 . 1 1 135 135 ARG CA C 13 59.806 0.041 6 1 . . . . 135 R CA . 17785 1 447 . 1 1 135 135 ARG CB C 13 30.007 0.138 3 1 . . . . 135 R CB . 17785 1 448 . 1 1 135 135 ARG N N 15 118.272 0.019 13 1 . . . . 135 R N . 17785 1 449 . 1 1 136 136 SER H H 1 7.960 0.003 12 1 . . . . 136 S H . 17785 1 450 . 1 1 136 136 SER C C 13 176.101 0.000 1 1 . . . . 136 S C . 17785 1 451 . 1 1 136 136 SER CA C 13 61.746 0.135 5 1 . . . . 136 S CA . 17785 1 452 . 1 1 136 136 SER CB C 13 62.617 0.102 3 1 . . . . 136 S CB . 17785 1 453 . 1 1 136 136 SER N N 15 117.664 0.015 12 1 . . . . 136 S N . 17785 1 454 . 1 1 137 137 TYR H H 1 7.630 0.005 11 1 . . . . 137 Y H . 17785 1 455 . 1 1 137 137 TYR C C 13 176.180 0.042 3 1 . . . . 137 Y C . 17785 1 456 . 1 1 137 137 TYR CA C 13 55.014 0.091 6 1 . . . . 137 Y CA . 17785 1 457 . 1 1 137 137 TYR CB C 13 38.826 0.038 3 1 . . . . 137 Y CB . 17785 1 458 . 1 1 137 137 TYR N N 15 119.819 0.019 11 1 . . . . 137 Y N . 17785 1 459 . 1 1 138 138 GLY H H 1 8.301 0.003 12 1 . . . . 138 G H . 17785 1 460 . 1 1 138 138 GLY C C 13 175.161 0.013 3 1 . . . . 138 G C . 17785 1 461 . 1 1 138 138 GLY CA C 13 46.778 0.057 6 1 . . . . 138 G CA . 17785 1 462 . 1 1 138 138 GLY N N 15 111.035 0.017 12 1 . . . . 138 G N . 17785 1 463 . 1 1 139 139 ILE H H 1 8.050 0.004 10 1 . . . . 139 I H . 17785 1 464 . 1 1 139 139 ILE CA C 13 58.726 0.057 2 1 . . . . 139 I CA . 17785 1 465 . 1 1 139 139 ILE CB C 13 38.497 0.000 1 1 . . . . 139 I CB . 17785 1 466 . 1 1 139 139 ILE N N 15 113.029 0.007 10 1 . . . . 139 I N . 17785 1 467 . 1 1 140 140 PRO C C 13 174.550 0.002 2 1 . . . . 140 P C . 17785 1 468 . 1 1 140 140 PRO CA C 13 62.640 0.087 4 1 . . . . 140 P CA . 17785 1 469 . 1 1 140 140 PRO CB C 13 33.038 0.076 2 1 . . . . 140 P CB . 17785 1 470 . 1 1 141 141 PHE H H 1 8.272 0.003 13 1 . . . . 141 F H . 17785 1 471 . 1 1 141 141 PHE C C 13 173.684 0.028 3 1 . . . . 141 F C . 17785 1 472 . 1 1 141 141 PHE CA C 13 54.940 0.140 6 1 . . . . 141 F CA . 17785 1 473 . 1 1 141 141 PHE CB C 13 42.326 0.066 3 1 . . . . 141 F CB . 17785 1 474 . 1 1 141 141 PHE N N 15 120.242 0.027 13 1 . . . . 141 F N . 17785 1 475 . 1 1 142 142 ILE H H 1 8.385 0.004 12 1 . . . . 142 I H . 17785 1 476 . 1 1 142 142 ILE C C 13 172.747 0.011 3 1 . . . . 142 I C . 17785 1 477 . 1 1 142 142 ILE CA C 13 59.758 0.038 6 1 . . . . 142 I CA . 17785 1 478 . 1 1 142 142 ILE CB C 13 42.433 0.005 2 1 . . . . 142 I CB . 17785 1 479 . 1 1 142 142 ILE N N 15 129.951 0.067 12 1 . . . . 142 I N . 17785 1 480 . 1 1 143 143 GLU H H 1 7.805 0.003 13 1 . . . . 143 E H . 17785 1 481 . 1 1 143 143 GLU C C 13 176.175 0.011 2 1 . . . . 143 E C . 17785 1 482 . 1 1 143 143 GLU CA C 13 55.810 0.065 6 1 . . . . 143 E CA . 17785 1 483 . 1 1 143 143 GLU CB C 13 30.861 0.093 3 1 . . . . 143 E CB . 17785 1 484 . 1 1 143 143 GLU N N 15 125.265 0.007 13 1 . . . . 143 E N . 17785 1 485 . 1 1 144 144 THR H H 1 8.815 0.003 11 1 . . . . 144 T H . 17785 1 486 . 1 1 144 144 THR C C 13 176.138 0.024 3 1 . . . . 144 T C . 17785 1 487 . 1 1 144 144 THR CA C 13 60.004 0.164 6 1 . . . . 144 T CA . 17785 1 488 . 1 1 144 144 THR CB C 13 74.025 0.088 3 1 . . . . 144 T CB . 17785 1 489 . 1 1 144 144 THR N N 15 112.380 0.013 11 1 . . . . 144 T N . 17785 1 490 . 1 1 145 145 SER H H 1 8.712 0.002 13 1 . . . . 145 S H . 17785 1 491 . 1 1 145 145 SER C C 13 175.611 0.017 3 1 . . . . 145 S C . 17785 1 492 . 1 1 145 145 SER CA C 13 57.865 0.082 6 1 . . . . 145 S CA . 17785 1 493 . 1 1 145 145 SER CB C 13 64.963 0.065 3 1 . . . . 145 S CB . 17785 1 494 . 1 1 145 145 SER N N 15 112.345 0.006 13 1 . . . . 145 S N . 17785 1 495 . 1 1 146 146 ALA H H 1 9.168 0.003 12 1 . . . . 146 A H . 17785 1 496 . 1 1 146 146 ALA C C 13 175.599 0.007 2 1 . . . . 146 A C . 17785 1 497 . 1 1 146 146 ALA CA C 13 54.704 0.103 6 1 . . . . 146 A CA . 17785 1 498 . 1 1 146 146 ALA CB C 13 18.564 0.046 3 1 . . . . 146 A CB . 17785 1 499 . 1 1 146 146 ALA N N 15 132.297 0.031 12 1 . . . . 146 A N . 17785 1 500 . 1 1 147 147 LYS H H 1 7.043 0.004 13 1 . . . . 147 K H . 17785 1 501 . 1 1 147 147 LYS C C 13 176.899 0.010 3 1 . . . . 147 K C . 17785 1 502 . 1 1 147 147 LYS CA C 13 58.628 0.062 5 1 . . . . 147 K CA . 17785 1 503 . 1 1 147 147 LYS CB C 13 33.807 0.153 3 1 . . . . 147 K CB . 17785 1 504 . 1 1 147 147 LYS N N 15 116.428 0.011 13 1 . . . . 147 K N . 17785 1 505 . 1 1 148 148 THR H H 1 7.638 0.007 12 1 . . . . 148 T H . 17785 1 506 . 1 1 148 148 THR C C 13 175.695 0.013 3 1 . . . . 148 T C . 17785 1 507 . 1 1 148 148 THR CA C 13 61.719 0.085 5 1 . . . . 148 T CA . 17785 1 508 . 1 1 148 148 THR CB C 13 69.684 0.038 2 1 . . . . 148 T CB . 17785 1 509 . 1 1 148 148 THR N N 15 106.218 0.016 12 1 . . . . 148 T N . 17785 1 510 . 1 1 149 149 ARG H H 1 7.755 0.003 10 1 . . . . 149 R H . 17785 1 511 . 1 1 149 149 ARG C C 13 175.666 0.005 2 1 . . . . 149 R C . 17785 1 512 . 1 1 149 149 ARG CA C 13 59.111 0.032 6 1 . . . . 149 R CA . 17785 1 513 . 1 1 149 149 ARG CB C 13 30.621 0.077 3 1 . . . . 149 R CB . 17785 1 514 . 1 1 149 149 ARG N N 15 119.550 0.032 10 1 . . . . 149 R N . 17785 1 515 . 1 1 150 150 GLN H H 1 7.800 0.002 13 1 . . . . 150 Q H . 17785 1 516 . 1 1 150 150 GLN C C 13 177.024 0.011 3 1 . . . . 150 Q C . 17785 1 517 . 1 1 150 150 GLN CA C 13 57.613 0.050 6 1 . . . . 150 Q CA . 17785 1 518 . 1 1 150 150 GLN CB C 13 28.722 0.081 3 1 . . . . 150 Q CB . 17785 1 519 . 1 1 150 150 GLN N N 15 124.264 0.019 13 1 . . . . 150 Q N . 17785 1 520 . 1 1 151 151 GLY H H 1 8.926 0.003 12 1 . . . . 151 G H . 17785 1 521 . 1 1 151 151 GLY C C 13 173.402 0.011 3 1 . . . . 151 G C . 17785 1 522 . 1 1 151 151 GLY CA C 13 47.112 0.081 6 1 . . . . 151 G CA . 17785 1 523 . 1 1 151 151 GLY N N 15 115.335 0.018 12 1 . . . . 151 G N . 17785 1 524 . 1 1 152 152 VAL H H 1 7.015 0.003 11 1 . . . . 152 V H . 17785 1 525 . 1 1 152 152 VAL C C 13 176.502 0.000 1 1 . . . . 152 V C . 17785 1 526 . 1 1 152 152 VAL CA C 13 68.481 0.054 2 1 . . . . 152 V CA . 17785 1 527 . 1 1 152 152 VAL CB C 13 31.930 0.000 1 1 . . . . 152 V CB . 17785 1 528 . 1 1 152 152 VAL N N 15 120.509 0.021 11 1 . . . . 152 V N . 17785 1 529 . 1 1 153 153 ASP C C 13 177.129 0.005 2 1 . . . . 153 D C . 17785 1 530 . 1 1 153 153 ASP CA C 13 57.733 0.101 4 1 . . . . 153 D CA . 17785 1 531 . 1 1 153 153 ASP CB C 13 39.335 0.091 2 1 . . . . 153 D CB . 17785 1 532 . 1 1 154 154 ASP H H 1 8.038 0.004 13 1 . . . . 154 D H . 17785 1 533 . 1 1 154 154 ASP C C 13 179.337 0.008 3 1 . . . . 154 D C . 17785 1 534 . 1 1 154 154 ASP CA C 13 57.580 0.132 5 1 . . . . 154 D CA . 17785 1 535 . 1 1 154 154 ASP CB C 13 40.288 0.139 3 1 . . . . 154 D CB . 17785 1 536 . 1 1 154 154 ASP N N 15 116.264 0.019 13 1 . . . . 154 D N . 17785 1 537 . 1 1 155 155 ALA H H 1 8.613 0.003 12 1 . . . . 155 A H . 17785 1 538 . 1 1 155 155 ALA C C 13 177.764 0.013 3 1 . . . . 155 A C . 17785 1 539 . 1 1 155 155 ALA CA C 13 56.626 0.063 6 1 . . . . 155 A CA . 17785 1 540 . 1 1 155 155 ALA CB C 13 17.404 0.025 3 1 . . . . 155 A CB . 17785 1 541 . 1 1 155 155 ALA N N 15 124.775 0.022 12 1 . . . . 155 A N . 17785 1 542 . 1 1 156 156 PHE H H 1 7.236 0.004 13 1 . . . . 156 F H . 17785 1 543 . 1 1 156 156 PHE C C 13 178.139 0.010 3 1 . . . . 156 F C . 17785 1 544 . 1 1 156 156 PHE CA C 13 63.352 0.057 6 1 . . . . 156 F CA . 17785 1 545 . 1 1 156 156 PHE CB C 13 39.397 0.078 3 1 . . . . 156 F CB . 17785 1 546 . 1 1 156 156 PHE N N 15 112.949 0.015 13 1 . . . . 156 F N . 17785 1 547 . 1 1 157 157 TYR H H 1 9.502 0.004 13 1 . . . . 157 Y H . 17785 1 548 . 1 1 157 157 TYR C C 13 178.998 0.013 3 1 . . . . 157 Y C . 17785 1 549 . 1 1 157 157 TYR CA C 13 58.977 0.060 6 1 . . . . 157 Y CA . 17785 1 550 . 1 1 157 157 TYR CB C 13 35.487 0.078 3 1 . . . . 157 Y CB . 17785 1 551 . 1 1 157 157 TYR N N 15 119.529 0.014 13 1 . . . . 157 Y N . 17785 1 552 . 1 1 158 158 THR H H 1 8.587 0.004 12 1 . . . . 158 T H . 17785 1 553 . 1 1 158 158 THR C C 13 175.565 0.027 3 1 . . . . 158 T C . 17785 1 554 . 1 1 158 158 THR CA C 13 67.866 0.069 6 1 . . . . 158 T CA . 17785 1 555 . 1 1 158 158 THR N N 15 116.532 0.019 12 1 . . . . 158 T N . 17785 1 556 . 1 1 159 159 LEU H H 1 7.377 0.218 12 1 . . . . 159 L H . 17785 1 557 . 1 1 159 159 LEU C C 13 177.250 0.322 3 1 . . . . 159 L C . 17785 1 558 . 1 1 159 159 LEU CA C 13 58.371 0.031 6 1 . . . . 159 L CA . 17785 1 559 . 1 1 159 159 LEU CB C 13 40.133 0.039 3 1 . . . . 159 L CB . 17785 1 560 . 1 1 159 159 LEU N N 15 121.687 0.888 12 1 . . . . 159 L N . 17785 1 561 . 1 1 160 160 VAL H H 1 7.696 0.016 15 1 . . . . 160 V H . 17785 1 562 . 1 1 160 160 VAL C C 13 177.404 0.012 3 1 . . . . 160 V C . 17785 1 563 . 1 1 160 160 VAL CA C 13 67.905 0.084 5 1 . . . . 160 V CA . 17785 1 564 . 1 1 160 160 VAL CB C 13 30.522 0.232 3 1 . . . . 160 V CB . 17785 1 565 . 1 1 160 160 VAL N N 15 119.750 0.046 15 1 . . . . 160 V N . 17785 1 566 . 1 1 161 161 ARG H H 1 8.076 0.006 9 1 . . . . 161 R H . 17785 1 567 . 1 1 161 161 ARG C C 13 179.546 0.005 3 1 . . . . 161 R C . 17785 1 568 . 1 1 161 161 ARG CA C 13 61.187 0.034 7 1 . . . . 161 R CA . 17785 1 569 . 1 1 161 161 ARG CB C 13 29.596 0.021 2 1 . . . . 161 R CB . 17785 1 570 . 1 1 161 161 ARG N N 15 118.462 0.052 9 1 . . . . 161 R N . 17785 1 571 . 1 1 162 162 GLU H H 1 8.346 0.011 17 1 . . . . 162 E H . 17785 1 572 . 1 1 162 162 GLU C C 13 179.883 0.027 3 1 . . . . 162 E C . 17785 1 573 . 1 1 162 162 GLU CA C 13 59.260 0.058 7 1 . . . . 162 E CA . 17785 1 574 . 1 1 162 162 GLU CB C 13 30.224 0.108 3 1 . . . . 162 E CB . 17785 1 575 . 1 1 162 162 GLU N N 15 119.432 0.026 17 1 . . . . 162 E N . 17785 1 576 . 1 1 163 163 ILE H H 1 8.457 0.004 13 1 . . . . 163 I H . 17785 1 577 . 1 1 163 163 ILE C C 13 178.369 0.018 3 1 . . . . 163 I C . 17785 1 578 . 1 1 163 163 ILE CA C 13 66.582 0.149 6 1 . . . . 163 I CA . 17785 1 579 . 1 1 163 163 ILE CB C 13 37.982 0.038 3 1 . . . . 163 I CB . 17785 1 580 . 1 1 163 163 ILE N N 15 123.394 0.021 13 1 . . . . 163 I N . 17785 1 581 . 1 1 164 164 ARG H H 1 8.718 0.004 13 1 . . . . 164 R H . 17785 1 582 . 1 1 164 164 ARG C C 13 178.868 0.013 3 1 . . . . 164 R C . 17785 1 583 . 1 1 164 164 ARG CA C 13 60.604 0.075 6 1 . . . . 164 R CA . 17785 1 584 . 1 1 164 164 ARG CB C 13 30.982 0.207 3 1 . . . . 164 R CB . 17785 1 585 . 1 1 164 164 ARG N N 15 120.302 0.019 13 1 . . . . 164 R N . 17785 1 586 . 1 1 165 165 LYS H H 1 7.927 0.004 13 1 . . . . 165 K H . 17785 1 587 . 1 1 165 165 LYS C C 13 178.471 0.006 3 1 . . . . 165 K C . 17785 1 588 . 1 1 165 165 LYS CA C 13 59.513 0.050 6 1 . . . . 165 K CA . 17785 1 589 . 1 1 165 165 LYS CB C 13 32.574 0.065 3 1 . . . . 165 K CB . 17785 1 590 . 1 1 165 165 LYS N N 15 117.270 0.025 13 1 . . . . 165 K N . 17785 1 591 . 1 1 166 166 HIS H H 1 7.826 0.002 13 1 . . . . 166 H H . 17785 1 592 . 1 1 166 166 HIS C C 13 176.347 0.013 3 1 . . . . 166 H C . 17785 1 593 . 1 1 166 166 HIS CA C 13 58.690 0.052 6 1 . . . . 166 H CA . 17785 1 594 . 1 1 166 166 HIS CB C 13 29.248 0.040 3 1 . . . . 166 H CB . 17785 1 595 . 1 1 166 166 HIS N N 15 117.322 0.025 13 1 . . . . 166 H N . 17785 1 596 . 1 1 167 167 LYS H H 1 8.235 0.004 13 1 . . . . 167 K H . 17785 1 597 . 1 1 167 167 LYS C C 13 177.772 0.016 3 1 . . . . 167 K C . 17785 1 598 . 1 1 167 167 LYS CA C 13 58.632 0.066 6 1 . . . . 167 K CA . 17785 1 599 . 1 1 167 167 LYS CB C 13 33.004 0.097 3 1 . . . . 167 K CB . 17785 1 600 . 1 1 167 167 LYS N N 15 119.517 0.015 13 1 . . . . 167 K N . 17785 1 601 . 1 1 168 168 GLU H H 1 7.922 0.004 13 1 . . . . 168 E H . 17785 1 602 . 1 1 168 168 GLU C C 13 176.500 0.001 3 1 . . . . 168 E C . 17785 1 603 . 1 1 168 168 GLU CA C 13 57.500 0.141 6 1 . . . . 168 E CA . 17785 1 604 . 1 1 168 168 GLU CB C 13 30.117 0.088 3 1 . . . . 168 E CB . 17785 1 605 . 1 1 168 168 GLU N N 15 118.595 0.020 13 1 . . . . 168 E N . 17785 1 606 . 1 1 169 169 LYS H H 1 7.699 0.001 13 1 . . . . 169 K H . 17785 1 607 . 1 1 169 169 LYS C C 13 175.658 0.006 3 1 . . . . 169 K C . 17785 1 608 . 1 1 169 169 LYS CA C 13 56.694 0.143 6 1 . . . . 169 K CA . 17785 1 609 . 1 1 169 169 LYS CB C 13 32.891 0.095 3 1 . . . . 169 K CB . 17785 1 610 . 1 1 169 169 LYS N N 15 120.140 0.016 13 1 . . . . 169 K N . 17785 1 611 . 1 1 170 170 MET H H 1 7.755 0.002 12 1 . . . . 170 M H . 17785 1 612 . 1 1 170 170 MET C C 13 180.757 0.000 1 1 . . . . 170 M C . 17785 1 613 . 1 1 170 170 MET CA C 13 57.629 0.000 2 1 . . . . 170 M CA . 17785 1 614 . 1 1 170 170 MET N N 15 126.489 0.019 12 1 . . . . 170 M N . 17785 1 stop_ save_