################################### # 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 51820 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '13C,15N solid-state NMR assignments of H2B globular domain in NCP' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D DARR' . . . 51820 1 2 '2D NCA' . . . 51820 1 3 '2D NCO' . . . 51820 1 4 '3D CANCO' . . . 51820 1 5 '3D NCACX' . . . 51820 1 6 '3D NCOCX' . . . 51820 1 7 '1D 1H-13C CP' . . . 51820 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 $software_1 . . 51820 1 2 $software_2 . . 51820 1 3 $software_3 . . 51820 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 30 30 ARG CA C 13 58.142 0.062 . 1 . . . . . 30 R CA . 51820 1 2 . 1 . 1 30 30 ARG CB C 13 33.154 0.139 . 1 . . . . . 30 R CB . 51820 1 3 . 1 . 1 30 30 ARG CD C 13 42.432 0.000 . 1 . . . . . 30 R CD . 51820 1 4 . 1 . 1 30 30 ARG N N 15 126.481 0.133 . 1 . . . . . 30 R N . 51820 1 5 . 1 . 1 31 31 LYS C C 13 175.500 0.000 . 1 . . . . . 31 K C . 51820 1 6 . 1 . 1 31 31 LYS CA C 13 55.058 0.136 . 1 . . . . . 31 K CA . 51820 1 7 . 1 . 1 31 31 LYS CB C 13 32.511 0.132 . 1 . . . . . 31 K CB . 51820 1 8 . 1 . 1 31 31 LYS CG C 13 24.622 0.000 . 1 . . . . . 31 K CG . 51820 1 9 . 1 . 1 31 31 LYS N N 15 127.759 0.091 . 1 . . . . . 31 K N . 51820 1 10 . 1 . 1 32 32 GLU C C 13 176.883 0.095 . 1 . . . . . 32 E C . 51820 1 11 . 1 . 1 32 32 GLU CA C 13 55.577 0.102 . 1 . . . . . 32 E CA . 51820 1 12 . 1 . 1 32 32 GLU CB C 13 30.913 0.094 . 1 . . . . . 32 E CB . 51820 1 13 . 1 . 1 32 32 GLU CG C 13 36.780 0.000 . 1 . . . . . 32 E CG . 51820 1 14 . 1 . 1 32 32 GLU CD C 13 184.100 0.040 . 1 . . . . . 32 E CD . 51820 1 15 . 1 . 1 32 32 GLU N N 15 123.123 0.179 . 1 . . . . . 32 E N . 51820 1 16 . 1 . 1 33 33 SER C C 13 174.934 0.138 . 1 . . . . . 33 S C . 51820 1 17 . 1 . 1 33 33 SER CA C 13 57.925 0.121 . 1 . . . . . 33 S CA . 51820 1 18 . 1 . 1 33 33 SER CB C 13 65.930 0.079 . 1 . . . . . 33 S CB . 51820 1 19 . 1 . 1 33 33 SER N N 15 116.895 0.141 . 1 . . . . . 33 S N . 51820 1 20 . 1 . 1 34 34 TYR C C 13 175.748 0.041 . 1 . . . . . 34 Y C . 51820 1 21 . 1 . 1 34 34 TYR CA C 13 59.823 0.086 . 1 . . . . . 34 Y CA . 51820 1 22 . 1 . 1 34 34 TYR CB C 13 37.268 0.000 . 1 . . . . . 34 Y CB . 51820 1 23 . 1 . 1 34 34 TYR N N 15 117.268 0.201 . 1 . . . . . 34 Y N . 51820 1 24 . 1 . 1 35 35 ALA C C 13 179.739 0.058 . 1 . . . . . 35 A C . 51820 1 25 . 1 . 1 35 35 ALA CA C 13 57.117 0.071 . 1 . . . . . 35 A CA . 51820 1 26 . 1 . 1 35 35 ALA CB C 13 18.957 0.046 . 1 . . . . . 35 A CB . 51820 1 27 . 1 . 1 35 35 ALA N N 15 125.019 0.166 . 1 . . . . . 35 A N . 51820 1 28 . 1 . 1 36 36 ILE C C 13 177.838 0.022 . 1 . . . . . 36 I C . 51820 1 29 . 1 . 1 36 36 ILE CA C 13 65.106 0.067 . 1 . . . . . 36 I CA . 51820 1 30 . 1 . 1 36 36 ILE CB C 13 36.963 0.000 . 1 . . . . . 36 I CB . 51820 1 31 . 1 . 1 36 36 ILE CD1 C 13 15.594 0.000 . 1 . . . . . 36 I CD1 . 51820 1 32 . 1 . 1 36 36 ILE N N 15 114.145 0.177 . 1 . . . . . 36 I N . 51820 1 33 . 1 . 1 37 37 TYR C C 13 177.977 0.175 . 1 . . . . . 37 Y C . 51820 1 34 . 1 . 1 37 37 TYR CA C 13 59.109 0.072 . 1 . . . . . 37 Y CA . 51820 1 35 . 1 . 1 37 37 TYR CB C 13 37.197 0.134 . 1 . . . . . 37 Y CB . 51820 1 36 . 1 . 1 37 37 TYR N N 15 121.970 0.118 . 1 . . . . . 37 Y N . 51820 1 37 . 1 . 1 38 38 VAL C C 13 177.937 0.063 . 1 . . . . . 38 V C . 51820 1 38 . 1 . 1 38 38 VAL CA C 13 67.134 0.023 . 1 . . . . . 38 V CA . 51820 1 39 . 1 . 1 38 38 VAL CB C 13 31.495 0.000 . 1 . . . . . 38 V CB . 51820 1 40 . 1 . 1 38 38 VAL CG1 C 13 21.922 0.000 . 2 . . . . . 38 V CG1 . 51820 1 41 . 1 . 1 38 38 VAL CG2 C 13 23.910 0.000 . 2 . . . . . 38 V CG2 . 51820 1 42 . 1 . 1 38 38 VAL N N 15 119.477 0.086 . 1 . . . . . 38 V N . 51820 1 43 . 1 . 1 39 39 TYR C C 13 177.733 0.124 . 1 . . . . . 39 Y C . 51820 1 44 . 1 . 1 39 39 TYR CA C 13 62.881 0.124 . 1 . . . . . 39 Y CA . 51820 1 45 . 1 . 1 39 39 TYR CB C 13 38.381 0.000 . 1 . . . . . 39 Y CB . 51820 1 46 . 1 . 1 39 39 TYR N N 15 119.402 0.258 . 1 . . . . . 39 Y N . 51820 1 47 . 1 . 1 40 40 LYS C C 13 180.221 0.062 . 1 . . . . . 40 K C . 51820 1 48 . 1 . 1 40 40 LYS CA C 13 60.369 0.073 . 1 . . . . . 40 K CA . 51820 1 49 . 1 . 1 40 40 LYS CB C 13 32.803 0.116 . 1 . . . . . 40 K CB . 51820 1 50 . 1 . 1 40 40 LYS CG C 13 26.761 0.000 . 1 . . . . . 40 K CG . 51820 1 51 . 1 . 1 40 40 LYS N N 15 117.147 0.203 . 1 . . . . . 40 K N . 51820 1 52 . 1 . 1 41 41 VAL C C 13 178.192 0.106 . 1 . . . . . 41 V C . 51820 1 53 . 1 . 1 41 41 VAL CA C 13 66.455 0.067 . 1 . . . . . 41 V CA . 51820 1 54 . 1 . 1 41 41 VAL CB C 13 31.667 0.032 . 1 . . . . . 41 V CB . 51820 1 55 . 1 . 1 41 41 VAL CG1 C 13 21.960 0.068 . 2 . . . . . 41 V CG1 . 51820 1 56 . 1 . 1 41 41 VAL CG2 C 13 24.000 0.030 . 2 . . . . . 41 V CG2 . 51820 1 57 . 1 . 1 41 41 VAL N N 15 119.725 0.069 . 1 . . . . . 41 V N . 51820 1 58 . 1 . 1 42 42 LEU C C 13 177.203 0.161 . 1 . . . . . 42 L C . 51820 1 59 . 1 . 1 42 42 LEU CA C 13 59.344 0.112 . 1 . . . . . 42 L CA . 51820 1 60 . 1 . 1 42 42 LEU CB C 13 37.049 0.066 . 1 . . . . . 42 L CB . 51820 1 61 . 1 . 1 42 42 LEU N N 15 122.067 0.157 . 1 . . . . . 42 L N . 51820 1 62 . 1 . 1 43 43 LYS C C 13 178.139 0.082 . 1 . . . . . 43 K C . 51820 1 63 . 1 . 1 43 43 LYS CA C 13 56.831 0.115 . 1 . . . . . 43 K CA . 51820 1 64 . 1 . 1 43 43 LYS CB C 13 31.837 0.045 . 1 . . . . . 43 K CB . 51820 1 65 . 1 . 1 43 43 LYS CG C 13 23.574 0.066 . 1 . . . . . 43 K CG . 51820 1 66 . 1 . 1 43 43 LYS CD C 13 26.891 0.000 . 1 . . . . . 43 K CD . 51820 1 67 . 1 . 1 43 43 LYS CE C 13 43.213 0.103 . 1 . . . . . 43 K CE . 51820 1 68 . 1 . 1 43 43 LYS N N 15 113.539 0.071 . 1 . . . . . 43 K N . 51820 1 69 . 1 . 1 44 44 GLN C C 13 178.067 0.103 . 1 . . . . . 44 Q C . 51820 1 70 . 1 . 1 44 44 GLN CA C 13 58.081 0.099 . 1 . . . . . 44 Q CA . 51820 1 71 . 1 . 1 44 44 GLN CB C 13 29.280 0.075 . 1 . . . . . 44 Q CB . 51820 1 72 . 1 . 1 44 44 GLN CG C 13 34.105 0.067 . 1 . . . . . 44 Q CG . 51820 1 73 . 1 . 1 44 44 GLN CD C 13 180.229 0.061 . 1 . . . . . 44 Q CD . 51820 1 74 . 1 . 1 44 44 GLN N N 15 116.332 0.163 . 1 . . . . . 44 Q N . 51820 1 75 . 1 . 1 45 45 VAL C C 13 176.243 0.075 . 1 . . . . . 45 V C . 51820 1 76 . 1 . 1 45 45 VAL CA C 13 63.761 0.078 . 1 . . . . . 45 V CA . 51820 1 77 . 1 . 1 45 45 VAL CB C 13 33.080 0.050 . 1 . . . . . 45 V CB . 51820 1 78 . 1 . 1 45 45 VAL CG1 C 13 20.222 0.052 . 2 . . . . . 45 V CG1 . 51820 1 79 . 1 . 1 45 45 VAL CG2 C 13 21.782 0.056 . 2 . . . . . 45 V CG2 . 51820 1 80 . 1 . 1 45 45 VAL N N 15 114.152 0.133 . 1 . . . . . 45 V N . 51820 1 81 . 1 . 1 46 46 HIS C C 13 172.770 0.070 . 1 . . . . . 46 H C . 51820 1 82 . 1 . 1 46 46 HIS CA C 13 54.297 0.089 . 1 . . . . . 46 H CA . 51820 1 83 . 1 . 1 46 46 HIS CB C 13 32.914 0.096 . 1 . . . . . 46 H CB . 51820 1 84 . 1 . 1 46 46 HIS CE1 C 13 140.259 0.000 . 1 . . . . . 46 H CE1 . 51820 1 85 . 1 . 1 46 46 HIS N N 15 119.984 0.100 . 1 . . . . . 46 H N . 51820 1 86 . 1 . 1 47 47 PRO C C 13 177.812 0.070 . 1 . . . . . 47 P C . 51820 1 87 . 1 . 1 47 47 PRO CA C 13 65.436 0.079 . 1 . . . . . 47 P CA . 51820 1 88 . 1 . 1 47 47 PRO CB C 13 32.607 0.031 . 1 . . . . . 47 P CB . 51820 1 89 . 1 . 1 47 47 PRO CG C 13 27.098 0.043 . 1 . . . . . 47 P CG . 51820 1 90 . 1 . 1 47 47 PRO CD C 13 50.131 0.070 . 1 . . . . . 47 P CD . 51820 1 91 . 1 . 1 47 47 PRO N N 15 134.915 0.021 . 1 . . . . . 47 P N . 51820 1 92 . 1 . 1 48 48 ASP C C 13 176.502 0.085 . 1 . . . . . 48 D C . 51820 1 93 . 1 . 1 48 48 ASP CA C 13 53.816 0.110 . 1 . . . . . 48 D CA . 51820 1 94 . 1 . 1 48 48 ASP CB C 13 41.165 0.055 . 1 . . . . . 48 D CB . 51820 1 95 . 1 . 1 48 48 ASP CG C 13 181.338 0.027 . 1 . . . . . 48 D CG . 51820 1 96 . 1 . 1 48 48 ASP N N 15 117.210 0.000 . 1 . . . . . 48 D N . 51820 1 97 . 1 . 1 49 49 THR C C 13 173.798 0.051 . 1 . . . . . 49 T C . 51820 1 98 . 1 . 1 49 49 THR CA C 13 62.982 0.084 . 1 . . . . . 49 T CA . 51820 1 99 . 1 . 1 49 49 THR CB C 13 70.430 0.067 . 1 . . . . . 49 T CB . 51820 1 100 . 1 . 1 49 49 THR CG2 C 13 21.903 0.054 . 1 . . . . . 49 T CG2 . 51820 1 101 . 1 . 1 49 49 THR N N 15 120.375 0.192 . 1 . . . . . 49 T N . 51820 1 102 . 1 . 1 50 50 GLY C C 13 173.893 0.108 . 1 . . . . . 50 G C . 51820 1 103 . 1 . 1 50 50 GLY CA C 13 43.781 0.045 . 1 . . . . . 50 G CA . 51820 1 104 . 1 . 1 50 50 GLY N N 15 114.270 0.184 . 1 . . . . . 50 G N . 51820 1 105 . 1 . 1 51 51 ILE C C 13 172.900 0.222 . 1 . . . . . 51 I C . 51820 1 106 . 1 . 1 51 51 ILE CA C 13 60.418 0.121 . 1 . . . . . 51 I CA . 51820 1 107 . 1 . 1 51 51 ILE CB C 13 41.366 0.054 . 1 . . . . . 51 I CB . 51820 1 108 . 1 . 1 51 51 ILE CG1 C 13 30.215 0.108 . 1 . . . . . 51 I CG1 . 51820 1 109 . 1 . 1 51 51 ILE CG2 C 13 15.733 0.055 . 1 . . . . . 51 I CG2 . 51820 1 110 . 1 . 1 51 51 ILE CD1 C 13 13.123 0.046 . 1 . . . . . 51 I CD1 . 51820 1 111 . 1 . 1 51 51 ILE N N 15 118.665 0.129 . 1 . . . . . 51 I N . 51820 1 112 . 1 . 1 52 52 SER C C 13 175.197 0.084 . 1 . . . . . 52 S C . 51820 1 113 . 1 . 1 52 52 SER CA C 13 57.478 0.107 . 1 . . . . . 52 S CA . 51820 1 114 . 1 . 1 52 52 SER CB C 13 65.797 0.083 . 1 . . . . . 52 S CB . 51820 1 115 . 1 . 1 52 52 SER N N 15 123.770 0.183 . 1 . . . . . 52 S N . 51820 1 116 . 1 . 1 53 53 SER C C 13 178.768 0.078 . 1 . . . . . 53 S C . 51820 1 117 . 1 . 1 53 53 SER CA C 13 62.324 0.045 . 1 . . . . . 53 S CA . 51820 1 118 . 1 . 1 53 53 SER N N 15 119.039 0.078 . 1 . . . . . 53 S N . 51820 1 119 . 1 . 1 54 54 LYS C C 13 179.603 0.113 . 1 . . . . . 54 K C . 51820 1 120 . 1 . 1 54 54 LYS CA C 13 58.349 0.102 . 1 . . . . . 54 K CA . 51820 1 121 . 1 . 1 54 54 LYS CB C 13 31.780 0.034 . 1 . . . . . 54 K CB . 51820 1 122 . 1 . 1 54 54 LYS CG C 13 26.788 0.036 . 1 . . . . . 54 K CG . 51820 1 123 . 1 . 1 54 54 LYS CD C 13 29.902 0.029 . 1 . . . . . 54 K CD . 51820 1 124 . 1 . 1 54 54 LYS CE C 13 42.375 0.068 . 1 . . . . . 54 K CE . 51820 1 125 . 1 . 1 54 54 LYS N N 15 122.056 0.096 . 1 . . . . . 54 K N . 51820 1 126 . 1 . 1 55 55 ALA C C 13 178.942 0.077 . 1 . . . . . 55 A C . 51820 1 127 . 1 . 1 55 55 ALA CA C 13 55.217 0.092 . 1 . . . . . 55 A CA . 51820 1 128 . 1 . 1 55 55 ALA CB C 13 18.850 0.073 . 1 . . . . . 55 A CB . 51820 1 129 . 1 . 1 55 55 ALA N N 15 120.709 0.162 . 1 . . . . . 55 A N . 51820 1 130 . 1 . 1 56 56 MET C C 13 178.114 0.081 . 1 . . . . . 56 M C . 51820 1 131 . 1 . 1 56 56 MET CA C 13 57.781 0.139 . 1 . . . . . 56 M CA . 51820 1 132 . 1 . 1 56 56 MET CB C 13 31.725 0.088 . 1 . . . . . 56 M CB . 51820 1 133 . 1 . 1 56 56 MET CG C 13 32.877 0.067 . 1 . . . . . 56 M CG . 51820 1 134 . 1 . 1 56 56 MET CE C 13 18.871 0.028 . 1 . . . . . 56 M CE . 51820 1 135 . 1 . 1 56 56 MET N N 15 119.962 0.135 . 1 . . . . . 56 M N . 51820 1 136 . 1 . 1 57 57 SER C C 13 178.613 0.099 . 1 . . . . . 57 S C . 51820 1 137 . 1 . 1 57 57 SER CA C 13 61.283 0.044 . 1 . . . . . 57 S CA . 51820 1 138 . 1 . 1 57 57 SER CB C 13 63.037 0.075 . 1 . . . . . 57 S CB . 51820 1 139 . 1 . 1 57 57 SER N N 15 115.545 0.142 . 1 . . . . . 57 S N . 51820 1 140 . 1 . 1 58 58 ILE C C 13 176.909 0.106 . 1 . . . . . 58 I C . 51820 1 141 . 1 . 1 58 58 ILE CA C 13 65.663 0.065 . 1 . . . . . 58 I CA . 51820 1 142 . 1 . 1 58 58 ILE CB C 13 36.823 0.042 . 1 . . . . . 58 I CB . 51820 1 143 . 1 . 1 58 58 ILE CG1 C 13 29.833 0.027 . 1 . . . . . 58 I CG1 . 51820 1 144 . 1 . 1 58 58 ILE CG2 C 13 18.779 0.055 . 1 . . . . . 58 I CG2 . 51820 1 145 . 1 . 1 58 58 ILE CD1 C 13 14.976 0.039 . 1 . . . . . 58 I CD1 . 51820 1 146 . 1 . 1 58 58 ILE N N 15 121.609 0.167 . 1 . . . . . 58 I N . 51820 1 147 . 1 . 1 59 59 MET C C 13 178.852 0.062 . 1 . . . . . 59 M C . 51820 1 148 . 1 . 1 59 59 MET CA C 13 55.456 0.087 . 1 . . . . . 59 M CA . 51820 1 149 . 1 . 1 59 59 MET CB C 13 28.795 0.103 . 1 . . . . . 59 M CB . 51820 1 150 . 1 . 1 59 59 MET CG C 13 31.096 0.131 . 1 . . . . . 59 M CG . 51820 1 151 . 1 . 1 59 59 MET CE C 13 15.400 0.038 . 1 . . . . . 59 M CE . 51820 1 152 . 1 . 1 59 59 MET N N 15 117.543 0.173 . 1 . . . . . 59 M N . 51820 1 153 . 1 . 1 60 60 ASN C C 13 178.051 0.070 . 1 . . . . . 60 N C . 51820 1 154 . 1 . 1 60 60 ASN CA C 13 58.058 0.056 . 1 . . . . . 60 N CA . 51820 1 155 . 1 . 1 60 60 ASN CB C 13 39.929 0.046 . 1 . . . . . 60 N CB . 51820 1 156 . 1 . 1 60 60 ASN CG C 13 181.341 0.000 . 1 . . . . . 60 N CG . 51820 1 157 . 1 . 1 60 60 ASN N N 15 119.641 0.137 . 1 . . . . . 60 N N . 51820 1 158 . 1 . 1 61 61 SER C C 13 175.885 0.075 . 1 . . . . . 61 S C . 51820 1 159 . 1 . 1 61 61 SER CA C 13 62.935 0.108 . 1 . . . . . 61 S CA . 51820 1 160 . 1 . 1 61 61 SER CB C 13 63.303 0.141 . 1 . . . . . 61 S CB . 51820 1 161 . 1 . 1 61 61 SER N N 15 116.240 0.105 . 1 . . . . . 61 S N . 51820 1 162 . 1 . 1 62 62 PHE C C 13 175.799 0.020 . 1 . . . . . 62 F C . 51820 1 163 . 1 . 1 62 62 PHE CA C 13 60.148 0.062 . 1 . . . . . 62 F CA . 51820 1 164 . 1 . 1 62 62 PHE CB C 13 38.272 0.042 . 1 . . . . . 62 F CB . 51820 1 165 . 1 . 1 62 62 PHE N N 15 124.817 0.092 . 1 . . . . . 62 F N . 51820 1 166 . 1 . 1 63 63 VAL C C 13 177.869 0.056 . 1 . . . . . 63 V C . 51820 1 167 . 1 . 1 63 63 VAL CA C 13 67.190 0.102 . 1 . . . . . 63 V CA . 51820 1 168 . 1 . 1 63 63 VAL CB C 13 31.683 0.045 . 1 . . . . . 63 V CB . 51820 1 169 . 1 . 1 63 63 VAL CG1 C 13 22.550 0.076 . 2 . . . . . 63 V CG1 . 51820 1 170 . 1 . 1 63 63 VAL N N 15 119.351 0.073 . 1 . . . . . 63 V N . 51820 1 171 . 1 . 1 64 64 ASN C C 13 177.023 0.128 . 1 . . . . . 64 N C . 51820 1 172 . 1 . 1 64 64 ASN CA C 13 57.008 0.068 . 1 . . . . . 64 N CA . 51820 1 173 . 1 . 1 64 64 ASN CB C 13 39.729 0.087 . 1 . . . . . 64 N CB . 51820 1 174 . 1 . 1 64 64 ASN N N 15 114.836 0.092 . 1 . . . . . 64 N N . 51820 1 175 . 1 . 1 65 65 ASP C C 13 177.762 0.102 . 1 . . . . . 65 D C . 51820 1 176 . 1 . 1 65 65 ASP CA C 13 56.819 0.096 . 1 . . . . . 65 D CA . 51820 1 177 . 1 . 1 65 65 ASP CB C 13 40.962 0.058 . 1 . . . . . 65 D CB . 51820 1 178 . 1 . 1 65 65 ASP CG C 13 180.240 0.045 . 1 . . . . . 65 D CG . 51820 1 179 . 1 . 1 65 65 ASP N N 15 119.401 0.118 . 1 . . . . . 65 D N . 51820 1 180 . 1 . 1 66 66 VAL C C 13 177.773 0.057 . 1 . . . . . 66 V C . 51820 1 181 . 1 . 1 66 66 VAL CA C 13 67.770 0.091 . 1 . . . . . 66 V CA . 51820 1 182 . 1 . 1 66 66 VAL CB C 13 30.808 0.057 . 1 . . . . . 66 V CB . 51820 1 183 . 1 . 1 66 66 VAL CG1 C 13 22.527 0.033 . 2 . . . . . 66 V CG1 . 51820 1 184 . 1 . 1 66 66 VAL CG2 C 13 23.346 0.057 . 2 . . . . . 66 V CG2 . 51820 1 185 . 1 . 1 66 66 VAL N N 15 116.780 0.112 . 1 . . . . . 66 V N . 51820 1 186 . 1 . 1 67 67 PHE C C 13 176.082 0.111 . 1 . . . . . 67 F C . 51820 1 187 . 1 . 1 67 67 PHE CA C 13 62.634 0.100 . 1 . . . . . 67 F CA . 51820 1 188 . 1 . 1 67 67 PHE CB C 13 39.033 0.086 . 1 . . . . . 67 F CB . 51820 1 189 . 1 . 1 67 67 PHE CD1 C 13 131.990 0.123 . 3 . . . . . 67 F CD# . 51820 1 190 . 1 . 1 67 67 PHE CD2 C 13 131.990 0.123 . 3 . . . . . 67 F CD# . 51820 1 191 . 1 . 1 67 67 PHE CE1 C 13 131.990 0.123 . 3 . . . . . 67 F CE# . 51820 1 192 . 1 . 1 67 67 PHE CE2 C 13 131.990 0.123 . 3 . . . . . 67 F CE# . 51820 1 193 . 1 . 1 67 67 PHE N N 15 120.467 0.159 . 1 . . . . . 67 F N . 51820 1 194 . 1 . 1 68 68 GLU C C 13 181.236 0.089 . 1 . . . . . 68 E C . 51820 1 195 . 1 . 1 68 68 GLU CA C 13 59.784 0.103 . 1 . . . . . 68 E CA . 51820 1 196 . 1 . 1 68 68 GLU CB C 13 29.878 0.055 . 1 . . . . . 68 E CB . 51820 1 197 . 1 . 1 68 68 GLU CG C 13 35.908 0.113 . 1 . . . . . 68 E CG . 51820 1 198 . 1 . 1 68 68 GLU CD C 13 184.191 0.205 . 1 . . . . . 68 E CD . 51820 1 199 . 1 . 1 68 68 GLU N N 15 119.233 0.205 . 1 . . . . . 68 E N . 51820 1 200 . 1 . 1 69 69 ARG C C 13 179.897 0.083 . 1 . . . . . 69 R C . 51820 1 201 . 1 . 1 69 69 ARG CA C 13 59.832 0.069 . 1 . . . . . 69 R CA . 51820 1 202 . 1 . 1 69 69 ARG CB C 13 31.847 0.144 . 1 . . . . . 69 R CB . 51820 1 203 . 1 . 1 69 69 ARG CG C 13 26.528 0.056 . 1 . . . . . 69 R CG . 51820 1 204 . 1 . 1 69 69 ARG CD C 13 45.245 0.082 . 1 . . . . . 69 R CD . 51820 1 205 . 1 . 1 69 69 ARG CZ C 13 159.965 0.000 . 1 . . . . . 69 R CZ . 51820 1 206 . 1 . 1 69 69 ARG N N 15 119.994 0.073 . 1 . . . . . 69 R N . 51820 1 207 . 1 . 1 70 70 ILE C C 13 177.123 0.119 . 1 . . . . . 70 I C . 51820 1 208 . 1 . 1 70 70 ILE CA C 13 65.245 0.113 . 1 . . . . . 70 I CA . 51820 1 209 . 1 . 1 70 70 ILE CB C 13 37.819 0.032 . 1 . . . . . 70 I CB . 51820 1 210 . 1 . 1 70 70 ILE CG1 C 13 29.687 0.061 . 1 . . . . . 70 I CG1 . 51820 1 211 . 1 . 1 70 70 ILE CG2 C 13 18.581 0.059 . 1 . . . . . 70 I CG2 . 51820 1 212 . 1 . 1 70 70 ILE CD1 C 13 14.304 0.035 . 1 . . . . . 70 I CD1 . 51820 1 213 . 1 . 1 70 70 ILE N N 15 118.852 0.167 . 1 . . . . . 70 I N . 51820 1 214 . 1 . 1 71 71 ALA C C 13 179.265 0.089 . 1 . . . . . 71 A C . 51820 1 215 . 1 . 1 71 71 ALA CA C 13 55.792 0.062 . 1 . . . . . 71 A CA . 51820 1 216 . 1 . 1 71 71 ALA CB C 13 16.388 0.049 . 1 . . . . . 71 A CB . 51820 1 217 . 1 . 1 71 71 ALA N N 15 122.354 0.097 . 1 . . . . . 71 A N . 51820 1 218 . 1 . 1 72 72 GLY C C 13 176.675 0.092 . 1 . . . . . 72 G C . 51820 1 219 . 1 . 1 72 72 GLY CA C 13 47.071 0.084 . 1 . . . . . 72 G CA . 51820 1 220 . 1 . 1 72 72 GLY N N 15 103.748 0.114 . 1 . . . . . 72 G N . 51820 1 221 . 1 . 1 73 73 GLU C C 13 178.612 0.163 . 1 . . . . . 73 E C . 51820 1 222 . 1 . 1 73 73 GLU CA C 13 58.587 0.093 . 1 . . . . . 73 E CA . 51820 1 223 . 1 . 1 73 73 GLU CB C 13 29.909 0.091 . 1 . . . . . 73 E CB . 51820 1 224 . 1 . 1 73 73 GLU CG C 13 36.702 0.020 . 1 . . . . . 73 E CG . 51820 1 225 . 1 . 1 73 73 GLU CD C 13 184.385 0.013 . 1 . . . . . 73 E CD . 51820 1 226 . 1 . 1 73 73 GLU N N 15 122.772 0.074 . 1 . . . . . 73 E N . 51820 1 227 . 1 . 1 74 74 ALA C C 13 178.509 0.117 . 1 . . . . . 74 A C . 51820 1 228 . 1 . 1 74 74 ALA CA C 13 55.269 0.058 . 1 . . . . . 74 A CA . 51820 1 229 . 1 . 1 74 74 ALA CB C 13 18.043 0.048 . 1 . . . . . 74 A CB . 51820 1 230 . 1 . 1 74 74 ALA N N 15 122.162 0.126 . 1 . . . . . 74 A N . 51820 1 231 . 1 . 1 75 75 SER C C 13 178.553 0.063 . 1 . . . . . 75 S C . 51820 1 232 . 1 . 1 75 75 SER CA C 13 60.807 0.070 . 1 . . . . . 75 S CA . 51820 1 233 . 1 . 1 75 75 SER CB C 13 63.631 0.054 . 1 . . . . . 75 S CB . 51820 1 234 . 1 . 1 75 75 SER N N 15 111.047 0.074 . 1 . . . . . 75 S N . 51820 1 235 . 1 . 1 76 76 ARG C C 13 177.694 0.129 . 1 . . . . . 76 R C . 51820 1 236 . 1 . 1 76 76 ARG CA C 13 59.854 0.107 . 1 . . . . . 76 R CA . 51820 1 237 . 1 . 1 76 76 ARG CB C 13 30.204 0.032 . 1 . . . . . 76 R CB . 51820 1 238 . 1 . 1 76 76 ARG CG C 13 28.635 0.121 . 1 . . . . . 76 R CG . 51820 1 239 . 1 . 1 76 76 ARG CD C 13 43.202 0.129 . 1 . . . . . 76 R CD . 51820 1 240 . 1 . 1 76 76 ARG CZ C 13 159.121 0.000 . 1 . . . . . 76 R CZ . 51820 1 241 . 1 . 1 76 76 ARG N N 15 121.838 0.132 . 1 . . . . . 76 R N . 51820 1 242 . 1 . 1 77 77 LEU C C 13 179.716 0.134 . 1 . . . . . 77 L C . 51820 1 243 . 1 . 1 77 77 LEU CA C 13 58.627 0.079 . 1 . . . . . 77 L CA . 51820 1 244 . 1 . 1 77 77 LEU CB C 13 43.274 0.118 . 1 . . . . . 77 L CB . 51820 1 245 . 1 . 1 77 77 LEU CG C 13 27.160 0.000 . 1 . . . . . 77 L CG . 51820 1 246 . 1 . 1 77 77 LEU CD2 C 13 25.010 0.000 . 2 . . . . . 77 L CD2 . 51820 1 247 . 1 . 1 77 77 LEU N N 15 119.025 0.215 . 1 . . . . . 77 L N . 51820 1 248 . 1 . 1 78 78 ALA C C 13 179.405 0.048 . 1 . . . . . 78 A C . 51820 1 249 . 1 . 1 78 78 ALA CA C 13 55.813 0.041 . 1 . . . . . 78 A CA . 51820 1 250 . 1 . 1 78 78 ALA CB C 13 16.961 0.042 . 1 . . . . . 78 A CB . 51820 1 251 . 1 . 1 78 78 ALA N N 15 121.520 0.196 . 1 . . . . . 78 A N . 51820 1 252 . 1 . 1 79 79 HIS C C 13 180.878 0.180 . 1 . . . . . 79 H C . 51820 1 253 . 1 . 1 79 79 HIS CA C 13 60.167 0.051 . 1 . . . . . 79 H CA . 51820 1 254 . 1 . 1 79 79 HIS CB C 13 33.837 0.015 . 1 . . . . . 79 H CB . 51820 1 255 . 1 . 1 79 79 HIS CG C 13 132.562 0.000 . 1 . . . . . 79 H CG . 51820 1 256 . 1 . 1 79 79 HIS N N 15 117.797 0.092 . 1 . . . . . 79 H N . 51820 1 257 . 1 . 1 80 80 TYR C C 13 177.460 0.043 . 1 . . . . . 80 Y C . 51820 1 258 . 1 . 1 80 80 TYR CA C 13 57.689 0.176 . 1 . . . . . 80 Y CA . 51820 1 259 . 1 . 1 80 80 TYR CB C 13 43.182 0.088 . 1 . . . . . 80 Y CB . 51820 1 260 . 1 . 1 80 80 TYR N N 15 121.942 0.179 . 1 . . . . . 80 Y N . 51820 1 261 . 1 . 1 81 81 ASN C C 13 172.617 0.068 . 1 . . . . . 81 N C . 51820 1 262 . 1 . 1 81 81 ASN CA C 13 54.145 0.082 . 1 . . . . . 81 N CA . 51820 1 263 . 1 . 1 81 81 ASN CB C 13 40.407 0.091 . 1 . . . . . 81 N CB . 51820 1 264 . 1 . 1 81 81 ASN CG C 13 179.480 0.061 . 1 . . . . . 81 N CG . 51820 1 265 . 1 . 1 81 81 ASN N N 15 114.317 0.100 . 1 . . . . . 81 N N . 51820 1 266 . 1 . 1 82 82 LYS C C 13 175.811 0.119 . 1 . . . . . 82 K C . 51820 1 267 . 1 . 1 82 82 LYS CA C 13 57.368 0.100 . 1 . . . . . 82 K CA . 51820 1 268 . 1 . 1 82 82 LYS CB C 13 29.184 0.104 . 1 . . . . . 82 K CB . 51820 1 269 . 1 . 1 82 82 LYS CG C 13 25.274 0.036 . 1 . . . . . 82 K CG . 51820 1 270 . 1 . 1 82 82 LYS CD C 13 28.252 0.000 . 1 . . . . . 82 K CD . 51820 1 271 . 1 . 1 82 82 LYS CE C 13 42.198 0.059 . 1 . . . . . 82 K CE . 51820 1 272 . 1 . 1 82 82 LYS N N 15 116.274 0.117 . 1 . . . . . 82 K N . 51820 1 273 . 1 . 1 83 83 ARG C C 13 177.435 0.090 . 1 . . . . . 83 R C . 51820 1 274 . 1 . 1 83 83 ARG CA C 13 53.524 0.074 . 1 . . . . . 83 R CA . 51820 1 275 . 1 . 1 83 83 ARG CB C 13 33.090 0.092 . 1 . . . . . 83 R CB . 51820 1 276 . 1 . 1 83 83 ARG CG C 13 27.194 0.097 . 1 . . . . . 83 R CG . 51820 1 277 . 1 . 1 83 83 ARG CD C 13 43.594 0.080 . 1 . . . . . 83 R CD . 51820 1 278 . 1 . 1 83 83 ARG N N 15 117.142 0.120 . 1 . . . . . 83 R N . 51820 1 279 . 1 . 1 84 84 SER C C 13 172.574 0.080 . 1 . . . . . 84 S C . 51820 1 280 . 1 . 1 84 84 SER CA C 13 59.686 0.085 . 1 . . . . . 84 S CA . 51820 1 281 . 1 . 1 84 84 SER CB C 13 64.469 0.071 . 1 . . . . . 84 S CB . 51820 1 282 . 1 . 1 84 84 SER N N 15 117.857 0.154 . 1 . . . . . 84 S N . 51820 1 283 . 1 . 1 85 85 THR C C 13 174.887 0.058 . 1 . . . . . 85 T C . 51820 1 284 . 1 . 1 85 85 THR CA C 13 60.882 0.061 . 1 . . . . . 85 T CA . 51820 1 285 . 1 . 1 85 85 THR CB C 13 69.562 0.078 . 1 . . . . . 85 T CB . 51820 1 286 . 1 . 1 85 85 THR CG2 C 13 21.365 0.082 . 1 . . . . . 85 T CG2 . 51820 1 287 . 1 . 1 85 85 THR N N 15 116.024 0.132 . 1 . . . . . 85 T N . 51820 1 288 . 1 . 1 86 86 ILE C C 13 173.888 0.100 . 1 . . . . . 86 I C . 51820 1 289 . 1 . 1 86 86 ILE CA C 13 62.670 0.068 . 1 . . . . . 86 I CA . 51820 1 290 . 1 . 1 86 86 ILE CB C 13 39.448 0.727 . 1 . . . . . 86 I CB . 51820 1 291 . 1 . 1 86 86 ILE CG1 C 13 28.986 0.069 . 1 . . . . . 86 I CG1 . 51820 1 292 . 1 . 1 86 86 ILE CG2 C 13 17.639 0.035 . 1 . . . . . 86 I CG2 . 51820 1 293 . 1 . 1 86 86 ILE CD1 C 13 13.757 0.046 . 1 . . . . . 86 I CD1 . 51820 1 294 . 1 . 1 86 86 ILE N N 15 123.484 0.133 . 1 . . . . . 86 I N . 51820 1 295 . 1 . 1 87 87 THR C C 13 176.828 0.120 . 1 . . . . . 87 T C . 51820 1 296 . 1 . 1 87 87 THR CA C 13 60.253 0.068 . 1 . . . . . 87 T CA . 51820 1 297 . 1 . 1 87 87 THR CB C 13 73.673 0.054 . 1 . . . . . 87 T CB . 51820 1 298 . 1 . 1 87 87 THR CG2 C 13 21.927 0.056 . 1 . . . . . 87 T CG2 . 51820 1 299 . 1 . 1 87 87 THR N N 15 121.717 0.094 . 1 . . . . . 87 T N . 51820 1 300 . 1 . 1 88 88 SER C C 13 174.515 0.064 . 1 . . . . . 88 S C . 51820 1 301 . 1 . 1 88 88 SER CA C 13 62.334 0.138 . 1 . . . . . 88 S CA . 51820 1 302 . 1 . 1 88 88 SER N N 15 116.973 0.123 . 1 . . . . . 88 S N . 51820 1 303 . 1 . 1 89 89 ARG C C 13 178.934 0.140 . 1 . . . . . 89 R C . 51820 1 304 . 1 . 1 89 89 ARG CA C 13 59.918 0.080 . 1 . . . . . 89 R CA . 51820 1 305 . 1 . 1 89 89 ARG CB C 13 30.277 0.024 . 1 . . . . . 89 R CB . 51820 1 306 . 1 . 1 89 89 ARG CG C 13 26.700 0.000 . 1 . . . . . 89 R CG . 51820 1 307 . 1 . 1 89 89 ARG CD C 13 43.298 0.054 . 1 . . . . . 89 R CD . 51820 1 308 . 1 . 1 89 89 ARG N N 15 122.108 0.160 . 1 . . . . . 89 R N . 51820 1 309 . 1 . 1 90 90 GLU C C 13 177.916 0.066 . 1 . . . . . 90 E C . 51820 1 310 . 1 . 1 90 90 GLU CA C 13 61.910 0.110 . 1 . . . . . 90 E CA . 51820 1 311 . 1 . 1 90 90 GLU CB C 13 30.101 0.037 . 1 . . . . . 90 E CB . 51820 1 312 . 1 . 1 90 90 GLU CG C 13 36.997 0.005 . 1 . . . . . 90 E CG . 51820 1 313 . 1 . 1 90 90 GLU CD C 13 181.368 0.072 . 1 . . . . . 90 E CD . 51820 1 314 . 1 . 1 90 90 GLU N N 15 117.946 0.190 . 1 . . . . . 90 E N . 51820 1 315 . 1 . 1 91 91 ILE C C 13 176.233 0.105 . 1 . . . . . 91 I C . 51820 1 316 . 1 . 1 91 91 ILE CA C 13 62.085 0.087 . 1 . . . . . 91 I CA . 51820 1 317 . 1 . 1 91 91 ILE CB C 13 33.869 0.081 . 1 . . . . . 91 I CB . 51820 1 318 . 1 . 1 91 91 ILE CG1 C 13 25.620 0.050 . 1 . . . . . 91 I CG1 . 51820 1 319 . 1 . 1 91 91 ILE CG2 C 13 18.680 0.034 . 1 . . . . . 91 I CG2 . 51820 1 320 . 1 . 1 91 91 ILE CD1 C 13 7.381 0.039 . 1 . . . . . 91 I CD1 . 51820 1 321 . 1 . 1 91 91 ILE N N 15 116.085 0.190 . 1 . . . . . 91 I N . 51820 1 322 . 1 . 1 92 92 GLN C C 13 177.472 0.123 . 1 . . . . . 92 Q C . 51820 1 323 . 1 . 1 92 92 GLN CA C 13 60.109 0.062 . 1 . . . . . 92 Q CA . 51820 1 324 . 1 . 1 92 92 GLN CB C 13 29.663 0.058 . 1 . . . . . 92 Q CB . 51820 1 325 . 1 . 1 92 92 GLN CG C 13 34.002 0.043 . 1 . . . . . 92 Q CG . 51820 1 326 . 1 . 1 92 92 GLN CD C 13 181.415 0.138 . 1 . . . . . 92 Q CD . 51820 1 327 . 1 . 1 92 92 GLN N N 15 119.111 0.161 . 1 . . . . . 92 Q N . 51820 1 328 . 1 . 1 92 92 GLN NE2 N 15 113.486 0.040 . 1 . . . . . 92 Q NE2 . 51820 1 329 . 1 . 1 93 93 THR C C 13 175.338 0.044 . 1 . . . . . 93 T C . 51820 1 330 . 1 . 1 93 93 THR CA C 13 66.500 0.122 . 1 . . . . . 93 T CA . 51820 1 331 . 1 . 1 93 93 THR CB C 13 67.061 0.087 . 1 . . . . . 93 T CB . 51820 1 332 . 1 . 1 93 93 THR CG2 C 13 24.666 0.069 . 1 . . . . . 93 T CG2 . 51820 1 333 . 1 . 1 93 93 THR N N 15 115.766 0.106 . 1 . . . . . 93 T N . 51820 1 334 . 1 . 1 94 94 ALA C C 13 179.234 0.057 . 1 . . . . . 94 A C . 51820 1 335 . 1 . 1 94 94 ALA CA C 13 55.958 0.106 . 1 . . . . . 94 A CA . 51820 1 336 . 1 . 1 94 94 ALA CB C 13 19.736 0.040 . 1 . . . . . 94 A CB . 51820 1 337 . 1 . 1 94 94 ALA N N 15 122.767 0.151 . 1 . . . . . 94 A N . 51820 1 338 . 1 . 1 95 95 VAL C C 13 176.933 0.031 . 1 . . . . . 95 V C . 51820 1 339 . 1 . 1 95 95 VAL CA C 13 67.542 0.055 . 1 . . . . . 95 V CA . 51820 1 340 . 1 . 1 95 95 VAL CB C 13 31.627 0.000 . 1 . . . . . 95 V CB . 51820 1 341 . 1 . 1 95 95 VAL CG1 C 13 25.370 0.000 . 2 . . . . . 95 V CG1 . 51820 1 342 . 1 . 1 95 95 VAL N N 15 117.494 0.105 . 1 . . . . . 95 V N . 51820 1 343 . 1 . 1 96 96 ARG C C 13 179.007 0.036 . 1 . . . . . 96 R C . 51820 1 344 . 1 . 1 96 96 ARG CA C 13 59.521 0.024 . 1 . . . . . 96 R CA . 51820 1 345 . 1 . 1 96 96 ARG CB C 13 30.143 0.107 . 1 . . . . . 96 R CB . 51820 1 346 . 1 . 1 96 96 ARG CG C 13 28.366 0.058 . 1 . . . . . 96 R CG . 51820 1 347 . 1 . 1 96 96 ARG CD C 13 43.998 0.064 . 1 . . . . . 96 R CD . 51820 1 348 . 1 . 1 96 96 ARG CZ C 13 159.866 0.000 . 1 . . . . . 96 R CZ . 51820 1 349 . 1 . 1 96 96 ARG N N 15 118.069 0.083 . 1 . . . . . 96 R N . 51820 1 350 . 1 . 1 97 97 LEU C C 13 178.594 0.115 . 1 . . . . . 97 L C . 51820 1 351 . 1 . 1 97 97 LEU CA C 13 57.063 0.048 . 1 . . . . . 97 L CA . 51820 1 352 . 1 . 1 97 97 LEU CB C 13 43.241 0.061 . 1 . . . . . 97 L CB . 51820 1 353 . 1 . 1 97 97 LEU CD1 C 13 26.654 0.062 . 2 . . . . . 97 L CD1 . 51820 1 354 . 1 . 1 97 97 LEU CD2 C 13 22.691 0.028 . 2 . . . . . 97 L CD2 . 51820 1 355 . 1 . 1 97 97 LEU N N 15 118.035 0.056 . 1 . . . . . 97 L N . 51820 1 356 . 1 . 1 98 98 LEU C C 13 177.831 0.129 . 1 . . . . . 98 L C . 51820 1 357 . 1 . 1 98 98 LEU CA C 13 56.567 0.095 . 1 . . . . . 98 L CA . 51820 1 358 . 1 . 1 98 98 LEU CB C 13 44.971 0.040 . 1 . . . . . 98 L CB . 51820 1 359 . 1 . 1 98 98 LEU CG C 13 27.721 0.042 . 1 . . . . . 98 L CG . 51820 1 360 . 1 . 1 98 98 LEU CD1 C 13 25.474 0.179 . 2 . . . . . 98 L CD1 . 51820 1 361 . 1 . 1 98 98 LEU CD2 C 13 23.509 0.012 . 2 . . . . . 98 L CD2 . 51820 1 362 . 1 . 1 98 98 LEU N N 15 116.879 0.096 . 1 . . . . . 98 L N . 51820 1 363 . 1 . 1 99 99 LEU C C 13 174.205 0.069 . 1 . . . . . 99 L C . 51820 1 364 . 1 . 1 99 99 LEU CA C 13 52.676 0.075 . 1 . . . . . 99 L CA . 51820 1 365 . 1 . 1 99 99 LEU CB C 13 40.686 0.056 . 1 . . . . . 99 L CB . 51820 1 366 . 1 . 1 99 99 LEU CG C 13 29.015 0.045 . 1 . . . . . 99 L CG . 51820 1 367 . 1 . 1 99 99 LEU CD1 C 13 26.024 0.071 . 2 . . . . . 99 L CD1 . 51820 1 368 . 1 . 1 99 99 LEU CD2 C 13 25.312 0.037 . 2 . . . . . 99 L CD2 . 51820 1 369 . 1 . 1 99 99 LEU N N 15 119.120 0.128 . 1 . . . . . 99 L N . 51820 1 370 . 1 . 1 100 100 PRO C C 13 177.002 0.189 . 1 . . . . . 100 P C . 51820 1 371 . 1 . 1 100 100 PRO CA C 13 62.392 0.053 . 1 . . . . . 100 P CA . 51820 1 372 . 1 . 1 100 100 PRO CB C 13 32.312 0.073 . 1 . . . . . 100 P CB . 51820 1 373 . 1 . 1 100 100 PRO CG C 13 27.505 0.033 . 1 . . . . . 100 P CG . 51820 1 374 . 1 . 1 100 100 PRO CD C 13 50.634 0.065 . 1 . . . . . 100 P CD . 51820 1 375 . 1 . 1 100 100 PRO N N 15 132.972 0.080 . 1 . . . . . 100 P N . 51820 1 376 . 1 . 1 101 101 GLY C C 13 176.202 0.066 . 1 . . . . . 101 G C . 51820 1 377 . 1 . 1 101 101 GLY CA C 13 48.275 0.074 . 1 . . . . . 101 G CA . 51820 1 378 . 1 . 1 101 101 GLY N N 15 105.472 0.149 . 1 . . . . . 101 G N . 51820 1 379 . 1 . 1 102 102 GLU C C 13 178.739 0.080 . 1 . . . . . 102 E C . 51820 1 380 . 1 . 1 102 102 GLU CA C 13 59.096 0.085 . 1 . . . . . 102 E CA . 51820 1 381 . 1 . 1 102 102 GLU CB C 13 29.197 0.080 . 1 . . . . . 102 E CB . 51820 1 382 . 1 . 1 102 102 GLU CG C 13 36.873 0.081 . 1 . . . . . 102 E CG . 51820 1 383 . 1 . 1 102 102 GLU CD C 13 184.023 0.073 . 1 . . . . . 102 E CD . 51820 1 384 . 1 . 1 102 102 GLU N N 15 128.430 0.173 . 1 . . . . . 102 E N . 51820 1 385 . 1 . 1 103 103 LEU C C 13 179.563 0.085 . 1 . . . . . 103 L C . 51820 1 386 . 1 . 1 103 103 LEU CA C 13 58.144 0.166 . 1 . . . . . 103 L CA . 51820 1 387 . 1 . 1 103 103 LEU CB C 13 41.065 0.071 . 1 . . . . . 103 L CB . 51820 1 388 . 1 . 1 103 103 LEU CD1 C 13 26.910 0.055 . 2 . . . . . 103 L CD1 . 51820 1 389 . 1 . 1 103 103 LEU CD2 C 13 23.750 0.048 . 2 . . . . . 103 L CD2 . 51820 1 390 . 1 . 1 103 103 LEU N N 15 122.093 0.230 . 1 . . . . . 103 L N . 51820 1 391 . 1 . 1 104 104 ALA C C 13 179.213 0.148 . 1 . . . . . 104 A C . 51820 1 392 . 1 . 1 104 104 ALA CA C 13 55.477 0.187 . 1 . . . . . 104 A CA . 51820 1 393 . 1 . 1 104 104 ALA CB C 13 18.919 0.043 . 1 . . . . . 104 A CB . 51820 1 394 . 1 . 1 104 104 ALA N N 15 118.440 0.172 . 1 . . . . . 104 A N . 51820 1 395 . 1 . 1 105 105 LYS C C 13 180.313 0.078 . 1 . . . . . 105 K C . 51820 1 396 . 1 . 1 105 105 LYS CA C 13 59.742 0.094 . 1 . . . . . 105 K CA . 51820 1 397 . 1 . 1 105 105 LYS CB C 13 32.457 0.087 . 1 . . . . . 105 K CB . 51820 1 398 . 1 . 1 105 105 LYS CG C 13 24.872 0.073 . 1 . . . . . 105 K CG . 51820 1 399 . 1 . 1 105 105 LYS CD C 13 29.486 0.190 . 1 . . . . . 105 K CD . 51820 1 400 . 1 . 1 105 105 LYS CE C 13 42.058 0.055 . 1 . . . . . 105 K CE . 51820 1 401 . 1 . 1 105 105 LYS N N 15 116.998 0.200 . 1 . . . . . 105 K N . 51820 1 402 . 1 . 1 106 106 HIS C C 13 177.284 0.146 . 1 . . . . . 106 H C . 51820 1 403 . 1 . 1 106 106 HIS CA C 13 58.878 0.106 . 1 . . . . . 106 H CA . 51820 1 404 . 1 . 1 106 106 HIS N N 15 118.814 0.110 . 1 . . . . . 106 H N . 51820 1 405 . 1 . 1 107 107 ALA C C 13 179.326 0.130 . 1 . . . . . 107 A C . 51820 1 406 . 1 . 1 107 107 ALA CA C 13 55.543 0.081 . 1 . . . . . 107 A CA . 51820 1 407 . 1 . 1 107 107 ALA CB C 13 19.668 0.060 . 1 . . . . . 107 A CB . 51820 1 408 . 1 . 1 107 107 ALA N N 15 123.258 0.029 . 1 . . . . . 107 A N . 51820 1 409 . 1 . 1 108 108 VAL C C 13 180.066 0.100 . 1 . . . . . 108 V C . 51820 1 410 . 1 . 1 108 108 VAL CA C 13 64.553 0.108 . 1 . . . . . 108 V CA . 51820 1 411 . 1 . 1 108 108 VAL CB C 13 31.914 0.000 . 1 . . . . . 108 V CB . 51820 1 412 . 1 . 1 108 108 VAL CG1 C 13 22.952 0.114 . 2 . . . . . 108 V CG1 . 51820 1 413 . 1 . 1 108 108 VAL CG2 C 13 20.551 0.029 . 2 . . . . . 108 V CG2 . 51820 1 414 . 1 . 1 108 108 VAL N N 15 117.311 0.112 . 1 . . . . . 108 V N . 51820 1 415 . 1 . 1 109 109 SER C C 13 177.434 0.069 . 1 . . . . . 109 S C . 51820 1 416 . 1 . 1 109 109 SER CA C 13 61.797 0.096 . 1 . . . . . 109 S CA . 51820 1 417 . 1 . 1 109 109 SER CB C 13 62.606 0.037 . 1 . . . . . 109 S CB . 51820 1 418 . 1 . 1 109 109 SER N N 15 117.532 0.125 . 1 . . . . . 109 S N . 51820 1 419 . 1 . 1 110 110 GLU C C 13 180.269 0.120 . 1 . . . . . 110 E C . 51820 1 420 . 1 . 1 110 110 GLU CA C 13 58.875 0.079 . 1 . . . . . 110 E CA . 51820 1 421 . 1 . 1 110 110 GLU CB C 13 28.765 0.071 . 1 . . . . . 110 E CB . 51820 1 422 . 1 . 1 110 110 GLU CG C 13 36.201 0.062 . 1 . . . . . 110 E CG . 51820 1 423 . 1 . 1 110 110 GLU CD C 13 183.447 0.085 . 1 . . . . . 110 E CD . 51820 1 424 . 1 . 1 110 110 GLU N N 15 120.005 0.111 . 1 . . . . . 110 E N . 51820 1 425 . 1 . 1 111 111 GLY C C 13 174.905 0.064 . 1 . . . . . 111 G C . 51820 1 426 . 1 . 1 111 111 GLY CA C 13 46.828 0.091 . 1 . . . . . 111 G CA . 51820 1 427 . 1 . 1 111 111 GLY N N 15 109.563 0.127 . 1 . . . . . 111 G N . 51820 1 428 . 1 . 1 112 112 THR C C 13 177.609 0.114 . 1 . . . . . 112 T C . 51820 1 429 . 1 . 1 112 112 THR CA C 13 66.818 0.090 . 1 . . . . . 112 T CA . 51820 1 430 . 1 . 1 112 112 THR CB C 13 69.007 0.091 . 1 . . . . . 112 T CB . 51820 1 431 . 1 . 1 112 112 THR CG2 C 13 21.375 0.033 . 1 . . . . . 112 T CG2 . 51820 1 432 . 1 . 1 112 112 THR N N 15 116.670 0.156 . 1 . . . . . 112 T N . 51820 1 433 . 1 . 1 113 113 LYS C C 13 178.729 0.078 . 1 . . . . . 113 K C . 51820 1 434 . 1 . 1 113 113 LYS CA C 13 59.995 0.061 . 1 . . . . . 113 K CA . 51820 1 435 . 1 . 1 113 113 LYS CB C 13 32.522 0.034 . 1 . . . . . 113 K CB . 51820 1 436 . 1 . 1 113 113 LYS N N 15 123.934 0.110 . 1 . . . . . 113 K N . 51820 1 437 . 1 . 1 114 114 ALA C C 13 179.576 0.090 . 1 . . . . . 114 A C . 51820 1 438 . 1 . 1 114 114 ALA CA C 13 55.227 0.099 . 1 . . . . . 114 A CA . 51820 1 439 . 1 . 1 114 114 ALA CB C 13 19.463 0.053 . 1 . . . . . 114 A CB . 51820 1 440 . 1 . 1 114 114 ALA N N 15 121.880 0.117 . 1 . . . . . 114 A N . 51820 1 441 . 1 . 1 115 115 VAL C C 13 179.370 0.129 . 1 . . . . . 115 V C . 51820 1 442 . 1 . 1 115 115 VAL CA C 13 67.685 0.144 . 1 . . . . . 115 V CA . 51820 1 443 . 1 . 1 115 115 VAL CB C 13 31.718 0.090 . 1 . . . . . 115 V CB . 51820 1 444 . 1 . 1 115 115 VAL CG1 C 13 22.516 0.048 . 2 . . . . . 115 V CG1 . 51820 1 445 . 1 . 1 115 115 VAL CG2 C 13 25.014 0.042 . 2 . . . . . 115 V CG2 . 51820 1 446 . 1 . 1 115 115 VAL N N 15 117.794 0.131 . 1 . . . . . 115 V N . 51820 1 447 . 1 . 1 116 116 THR C C 13 176.847 0.084 . 1 . . . . . 116 T C . 51820 1 448 . 1 . 1 116 116 THR CA C 13 67.291 0.082 . 1 . . . . . 116 T CA . 51820 1 449 . 1 . 1 116 116 THR CB C 13 68.677 0.095 . 1 . . . . . 116 T CB . 51820 1 450 . 1 . 1 116 116 THR CG2 C 13 21.748 0.085 . 1 . . . . . 116 T CG2 . 51820 1 451 . 1 . 1 116 116 THR N N 15 120.226 0.202 . 1 . . . . . 116 T N . 51820 1 452 . 1 . 1 117 117 LYS C C 13 178.895 0.071 . 1 . . . . . 117 K C . 51820 1 453 . 1 . 1 117 117 LYS CA C 13 60.126 0.080 . 1 . . . . . 117 K CA . 51820 1 454 . 1 . 1 117 117 LYS CB C 13 32.577 0.057 . 1 . . . . . 117 K CB . 51820 1 455 . 1 . 1 117 117 LYS CG C 13 24.919 0.031 . 1 . . . . . 117 K CG . 51820 1 456 . 1 . 1 117 117 LYS N N 15 124.002 0.155 . 1 . . . . . 117 K N . 51820 1 457 . 1 . 1 118 118 TYR C C 13 177.577 0.068 . 1 . . . . . 118 Y C . 51820 1 458 . 1 . 1 118 118 TYR CA C 13 61.869 0.113 . 1 . . . . . 118 Y CA . 51820 1 459 . 1 . 1 118 118 TYR CB C 13 39.953 0.005 . 1 . . . . . 118 Y CB . 51820 1 460 . 1 . 1 118 118 TYR N N 15 118.974 0.122 . 1 . . . . . 118 Y N . 51820 1 461 . 1 . 1 119 119 THR C C 13 176.111 0.089 . 1 . . . . . 119 T C . 51820 1 462 . 1 . 1 119 119 THR CA C 13 65.241 0.088 . 1 . . . . . 119 T CA . 51820 1 463 . 1 . 1 119 119 THR CB C 13 69.507 0.065 . 1 . . . . . 119 T CB . 51820 1 464 . 1 . 1 119 119 THR CG2 C 13 21.820 0.058 . 1 . . . . . 119 T CG2 . 51820 1 465 . 1 . 1 119 119 THR N N 15 111.448 0.211 . 1 . . . . . 119 T N . 51820 1 466 . 1 . 1 120 120 SER C C 13 174.139 0.115 . 1 . . . . . 120 S C . 51820 1 467 . 1 . 1 120 120 SER CA C 13 59.773 0.121 . 1 . . . . . 120 S CA . 51820 1 468 . 1 . 1 120 120 SER CB C 13 63.996 0.038 . 1 . . . . . 120 S CB . 51820 1 469 . 1 . 1 120 120 SER N N 15 116.132 0.140 . 1 . . . . . 120 S N . 51820 1 470 . 1 . 1 121 121 ALA C C 13 176.811 0.053 . 1 . . . . . 121 A C . 51820 1 471 . 1 . 1 121 121 ALA CA C 13 52.368 0.091 . 1 . . . . . 121 A CA . 51820 1 472 . 1 . 1 121 121 ALA CB C 13 19.566 0.055 . 1 . . . . . 121 A CB . 51820 1 473 . 1 . 1 121 121 ALA N N 15 125.291 0.174 . 1 . . . . . 121 A N . 51820 1 stop_ save_