################################### # 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_chemical_shift_assignment_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_one _Assigned_chem_shift_list.Entry_ID 4050 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_one . 4050 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 HA H 1 4.17 0.015 . 1 . . . . . . . . 4050 1 2 . 1 1 1 1 MET HB2 H 1 2.05 0.015 . 2 . . . . . . . . 4050 1 3 . 1 1 1 1 MET HB3 H 1 2.31 0.015 . 2 . . . . . . . . 4050 1 4 . 1 1 1 1 MET HG2 H 1 2.64 0.015 . 2 . . . . . . . . 4050 1 5 . 1 1 1 1 MET HG3 H 1 2.75 0.015 . 2 . . . . . . . . 4050 1 6 . 1 1 1 1 MET C C 13 172.52 0.15 . 1 . . . . . . . . 4050 1 7 . 1 1 1 1 MET CA C 13 55.74 0.15 . 1 . . . . . . . . 4050 1 8 . 1 1 1 1 MET CB C 13 34.8 0.15 . 1 . . . . . . . . 4050 1 9 . 1 1 1 1 MET CG C 13 31.8 0.15 . 1 . . . . . . . . 4050 1 10 . 1 1 2 2 LYS H H 1 9.1 0.015 . 1 . . . . . . . . 4050 1 11 . 1 1 2 2 LYS HA H 1 4.52 0.015 . 1 . . . . . . . . 4050 1 12 . 1 1 2 2 LYS HB2 H 1 1.89 0.015 . 1 . . . . . . . . 4050 1 13 . 1 1 2 2 LYS HB3 H 1 1.89 0.015 . 1 . . . . . . . . 4050 1 14 . 1 1 2 2 LYS HG2 H 1 1.53 0.015 . 2 . . . . . . . . 4050 1 15 . 1 1 2 2 LYS HG3 H 1 1.63 0.015 . 2 . . . . . . . . 4050 1 16 . 1 1 2 2 LYS HD2 H 1 1.35 0.015 . 2 . . . . . . . . 4050 1 17 . 1 1 2 2 LYS HD3 H 1 1.41 0.015 . 2 . . . . . . . . 4050 1 18 . 1 1 2 2 LYS HE2 H 1 3.05 0.015 . 1 . . . . . . . . 4050 1 19 . 1 1 2 2 LYS HE3 H 1 3.05 0.015 . 1 . . . . . . . . 4050 1 20 . 1 1 2 2 LYS C C 13 176.15 0.15 . 1 . . . . . . . . 4050 1 21 . 1 1 2 2 LYS CA C 13 56.2 0.15 . 1 . . . . . . . . 4050 1 22 . 1 1 2 2 LYS CB C 13 34.07 0.15 . 1 . . . . . . . . 4050 1 23 . 1 1 2 2 LYS CG C 13 25.14 0.15 . 1 . . . . . . . . 4050 1 24 . 1 1 2 2 LYS CD C 13 24.34 0.15 . 1 . . . . . . . . 4050 1 25 . 1 1 2 2 LYS CE C 13 42.1 0.15 . 1 . . . . . . . . 4050 1 26 . 1 1 2 2 LYS N N 15 122.88 0.2 . 1 . . . . . . . . 4050 1 27 . 1 1 3 3 LYS H H 1 8.79 0.015 . 1 . . . . . . . . 4050 1 28 . 1 1 3 3 LYS HA H 1 4.93 0.015 . 1 . . . . . . . . 4050 1 29 . 1 1 3 3 LYS HB2 H 1 1.64 0.015 . 2 . . . . . . . . 4050 1 30 . 1 1 3 3 LYS HB3 H 1 1.8 0.015 . 2 . . . . . . . . 4050 1 31 . 1 1 3 3 LYS HG2 H 1 1.39 0.015 . 2 . . . . . . . . 4050 1 32 . 1 1 3 3 LYS HG3 H 1 1.73 0.015 . 2 . . . . . . . . 4050 1 33 . 1 1 3 3 LYS HD2 H 1 1.61 0.015 . 1 . . . . . . . . 4050 1 34 . 1 1 3 3 LYS HD3 H 1 1.61 0.015 . 1 . . . . . . . . 4050 1 35 . 1 1 3 3 LYS HE2 H 1 2.86 0.015 . 1 . . . . . . . . 4050 1 36 . 1 1 3 3 LYS HE3 H 1 2.86 0.015 . 1 . . . . . . . . 4050 1 37 . 1 1 3 3 LYS C C 13 175.75 0.15 . 1 . . . . . . . . 4050 1 38 . 1 1 3 3 LYS CA C 13 56.15 0.15 . 1 . . . . . . . . 4050 1 39 . 1 1 3 3 LYS CB C 13 33.79 0.15 . 1 . . . . . . . . 4050 1 40 . 1 1 3 3 LYS CG C 13 26.1 0.15 . 1 . . . . . . . . 4050 1 41 . 1 1 3 3 LYS CD C 13 29.61 0.15 . 1 . . . . . . . . 4050 1 42 . 1 1 3 3 LYS CE C 13 41.96 0.15 . 1 . . . . . . . . 4050 1 43 . 1 1 3 3 LYS N N 15 120.57 0.2 . 1 . . . . . . . . 4050 1 44 . 1 1 4 4 TYR H H 1 8.5 0.015 . 1 . . . . . . . . 4050 1 45 . 1 1 4 4 TYR HA H 1 5.48 0.015 . 1 . . . . . . . . 4050 1 46 . 1 1 4 4 TYR HB2 H 1 2.59 0.015 . 2 . . . . . . . . 4050 1 47 . 1 1 4 4 TYR HB3 H 1 2.79 0.015 . 2 . . . . . . . . 4050 1 48 . 1 1 4 4 TYR C C 13 175.13 0.15 . 1 . . . . . . . . 4050 1 49 . 1 1 4 4 TYR CA C 13 57.18 0.15 . 1 . . . . . . . . 4050 1 50 . 1 1 4 4 TYR CB C 13 44.12 0.15 . 1 . . . . . . . . 4050 1 51 . 1 1 4 4 TYR N N 15 118.54 0.2 . 1 . . . . . . . . 4050 1 52 . 1 1 5 5 THR H H 1 10.38 0.015 . 1 . . . . . . . . 4050 1 53 . 1 1 5 5 THR N N 15 123.55 0.2 . 1 . . . . . . . . 4050 1 54 . 1 1 12 12 ILE H H 1 6.15 0.015 . 1 . . . . . . . . 4050 1 55 . 1 1 12 12 ILE HA H 1 4.51 0.015 . 1 . . . . . . . . 4050 1 56 . 1 1 12 12 ILE HB H 1 1.04 0.015 . 1 . . . . . . . . 4050 1 57 . 1 1 12 12 ILE HG12 H 1 1.09 0.015 . 2 . . . . . . . . 4050 1 58 . 1 1 12 12 ILE HG13 H 1 1.7 0.015 . 2 . . . . . . . . 4050 1 59 . 1 1 12 12 ILE HG21 H 1 0.55 0.015 . 2 . . . . . . . . 4050 1 60 . 1 1 12 12 ILE HG22 H 1 0.55 0.015 . 2 . . . . . . . . 4050 1 61 . 1 1 12 12 ILE HG23 H 1 0.55 0.015 . 2 . . . . . . . . 4050 1 62 . 1 1 12 12 ILE HD11 H 1 0.89 0.015 . 2 . . . . . . . . 4050 1 63 . 1 1 12 12 ILE HD12 H 1 0.89 0.015 . 2 . . . . . . . . 4050 1 64 . 1 1 12 12 ILE HD13 H 1 0.89 0.015 . 2 . . . . . . . . 4050 1 65 . 1 1 12 12 ILE C C 13 173.95 0.15 . 1 . . . . . . . . 4050 1 66 . 1 1 12 12 ILE CA C 13 59.15 0.15 . 1 . . . . . . . . 4050 1 67 . 1 1 12 12 ILE CB C 13 39.81 0.15 . 1 . . . . . . . . 4050 1 68 . 1 1 12 12 ILE CG1 C 13 27.37 0.15 . 1 . . . . . . . . 4050 1 69 . 1 1 12 12 ILE CG2 C 13 17.07 0.15 . 1 . . . . . . . . 4050 1 70 . 1 1 12 12 ILE CD1 C 13 13.08 0.15 . 1 . . . . . . . . 4050 1 71 . 1 1 12 12 ILE N N 15 113.23 0.2 . 1 . . . . . . . . 4050 1 72 . 1 1 13 13 TYR H H 1 9.42 0.015 . 1 . . . . . . . . 4050 1 73 . 1 1 13 13 TYR HA H 1 3.97 0.015 . 1 . . . . . . . . 4050 1 74 . 1 1 13 13 TYR HB2 H 1 3.03 0.015 . 1 . . . . . . . . 4050 1 75 . 1 1 13 13 TYR HB3 H 1 3.03 0.015 . 1 . . . . . . . . 4050 1 76 . 1 1 13 13 TYR C C 13 172.96 0.15 . 1 . . . . . . . . 4050 1 77 . 1 1 13 13 TYR CA C 13 57.7 0.15 . 1 . . . . . . . . 4050 1 78 . 1 1 13 13 TYR CB C 13 38.82 0.15 . 1 . . . . . . . . 4050 1 79 . 1 1 13 13 TYR N N 15 126.03 0.2 . 1 . . . . . . . . 4050 1 80 . 1 1 14 14 ASN H H 1 8.19 0.015 . 1 . . . . . . . . 4050 1 81 . 1 1 14 14 ASN HA H 1 4.98 0.015 . 1 . . . . . . . . 4050 1 82 . 1 1 14 14 ASN HB2 H 1 2.29 0.015 . 2 . . . . . . . . 4050 1 83 . 1 1 14 14 ASN HB3 H 1 2.81 0.015 . 2 . . . . . . . . 4050 1 84 . 1 1 14 14 ASN HD21 H 1 7.05 0.015 . 2 . . . . . . . . 4050 1 85 . 1 1 14 14 ASN HD22 H 1 7.32 0.015 . 2 . . . . . . . . 4050 1 86 . 1 1 14 14 ASN CA C 13 47.65 0.15 . 1 . . . . . . . . 4050 1 87 . 1 1 14 14 ASN CB C 13 39.5 0.15 . 1 . . . . . . . . 4050 1 88 . 1 1 14 14 ASN N N 15 126.8 0.2 . 1 . . . . . . . . 4050 1 89 . 1 1 14 14 ASN ND2 N 15 112.86 0.2 . 1 . . . . . . . . 4050 1 90 . 1 1 15 15 PRO HA H 1 3.99 0.015 . 1 . . . . . . . . 4050 1 91 . 1 1 15 15 PRO HB2 H 1 1.89 0.015 . 2 . . . . . . . . 4050 1 92 . 1 1 15 15 PRO HB3 H 1 2.57 0.015 . 2 . . . . . . . . 4050 1 93 . 1 1 15 15 PRO HG2 H 1 1.92 0.015 . 2 . . . . . . . . 4050 1 94 . 1 1 15 15 PRO HG3 H 1 2.15 0.015 . 2 . . . . . . . . 4050 1 95 . 1 1 15 15 PRO HD2 H 1 3.92 0.015 . 1 . . . . . . . . 4050 1 96 . 1 1 15 15 PRO HD3 H 1 3.92 0.015 . 1 . . . . . . . . 4050 1 97 . 1 1 15 15 PRO C C 13 176.94 0.15 . 1 . . . . . . . . 4050 1 98 . 1 1 15 15 PRO CA C 13 64.33 0.15 . 1 . . . . . . . . 4050 1 99 . 1 1 15 15 PRO CB C 13 32.57 0.15 . 1 . . . . . . . . 4050 1 100 . 1 1 15 15 PRO CG C 13 27.87 0.15 . 1 . . . . . . . . 4050 1 101 . 1 1 15 15 PRO CD C 13 51.97 0.15 . 1 . . . . . . . . 4050 1 102 . 1 1 16 16 GLU H H 1 7.51 0.015 . 1 . . . . . . . . 4050 1 103 . 1 1 16 16 GLU HA H 1 3.77 0.015 . 1 . . . . . . . . 4050 1 104 . 1 1 16 16 GLU HB2 H 1 1.72 0.015 . 2 . . . . . . . . 4050 1 105 . 1 1 16 16 GLU HB3 H 1 1.8 0.015 . 2 . . . . . . . . 4050 1 106 . 1 1 16 16 GLU HG2 H 1 2.15 0.015 . 2 . . . . . . . . 4050 1 107 . 1 1 16 16 GLU HG3 H 1 2.21 0.015 . 2 . . . . . . . . 4050 1 108 . 1 1 16 16 GLU C C 13 177.21 0.15 . 1 . . . . . . . . 4050 1 109 . 1 1 16 16 GLU CA C 13 58.74 0.15 . 1 . . . . . . . . 4050 1 110 . 1 1 16 16 GLU CB C 13 29.33 0.15 . 1 . . . . . . . . 4050 1 111 . 1 1 16 16 GLU CG C 13 36.43 0.15 . 1 . . . . . . . . 4050 1 112 . 1 1 16 16 GLU N N 15 113.94 0.2 . 1 . . . . . . . . 4050 1 113 . 1 1 17 17 ASP H H 1 7.06 0.015 . 1 . . . . . . . . 4050 1 114 . 1 1 17 17 ASP HA H 1 4.6 0.015 . 1 . . . . . . . . 4050 1 115 . 1 1 17 17 ASP HB2 H 1 2.66 0.015 . 1 . . . . . . . . 4050 1 116 . 1 1 17 17 ASP HB3 H 1 2.66 0.015 . 1 . . . . . . . . 4050 1 117 . 1 1 17 17 ASP C C 13 177.92 0.15 . 1 . . . . . . . . 4050 1 118 . 1 1 17 17 ASP CA C 13 54.97 0.15 . 1 . . . . . . . . 4050 1 119 . 1 1 17 17 ASP CB C 13 42.8 0.15 . 1 . . . . . . . . 4050 1 120 . 1 1 17 17 ASP N N 15 115.92 0.2 . 1 . . . . . . . . 4050 1 121 . 1 1 18 18 GLY H H 1 7.86 0.015 . 1 . . . . . . . . 4050 1 122 . 1 1 18 18 GLY HA2 H 1 3.48 0.015 . 2 . . . . . . . . 4050 1 123 . 1 1 18 18 GLY HA3 H 1 3.91 0.015 . 2 . . . . . . . . 4050 1 124 . 1 1 18 18 GLY C C 13 173.21 0.15 . 1 . . . . . . . . 4050 1 125 . 1 1 18 18 GLY CA C 13 44.77 0.15 . 1 . . . . . . . . 4050 1 126 . 1 1 18 18 GLY N N 15 105.55 0.2 . 1 . . . . . . . . 4050 1 127 . 1 1 19 19 ASP H H 1 8.48 0.015 . 1 . . . . . . . . 4050 1 128 . 1 1 19 19 ASP HA H 1 4.96 0.015 . 1 . . . . . . . . 4050 1 129 . 1 1 19 19 ASP HB2 H 1 2.86 0.015 . 1 . . . . . . . . 4050 1 130 . 1 1 19 19 ASP HB3 H 1 2.86 0.015 . 1 . . . . . . . . 4050 1 131 . 1 1 19 19 ASP CA C 13 53.17 0.15 . 1 . . . . . . . . 4050 1 132 . 1 1 19 19 ASP CB C 13 40.79 0.15 . 1 . . . . . . . . 4050 1 133 . 1 1 19 19 ASP N N 15 117.67 0.2 . 1 . . . . . . . . 4050 1 134 . 1 1 20 20 PRO HA H 1 4.08 0.015 . 1 . . . . . . . . 4050 1 135 . 1 1 20 20 PRO HB2 H 1 2.29 0.015 . 2 . . . . . . . . 4050 1 136 . 1 1 20 20 PRO HB3 H 1 2.1 0.015 . 2 . . . . . . . . 4050 1 137 . 1 1 20 20 PRO HG2 H 1 2.02 0.015 . 1 . . . . . . . . 4050 1 138 . 1 1 20 20 PRO HG3 H 1 2.02 0.015 . 1 . . . . . . . . 4050 1 139 . 1 1 20 20 PRO HD2 H 1 3.76 0.015 . 1 . . . . . . . . 4050 1 140 . 1 1 20 20 PRO HD3 H 1 3.76 0.015 . 1 . . . . . . . . 4050 1 141 . 1 1 20 20 PRO C C 13 179.64 0.15 . 1 . . . . . . . . 4050 1 142 . 1 1 20 20 PRO CA C 13 65.63 0.15 . 1 . . . . . . . . 4050 1 143 . 1 1 20 20 PRO CB C 13 32.1 0.15 . 1 . . . . . . . . 4050 1 144 . 1 1 20 20 PRO CG C 13 27.51 0.15 . 1 . . . . . . . . 4050 1 145 . 1 1 20 20 PRO CD C 13 50.71 0.15 . 1 . . . . . . . . 4050 1 146 . 1 1 21 21 ASP H H 1 9.31 0.015 . 1 . . . . . . . . 4050 1 147 . 1 1 21 21 ASP HA H 1 4.46 0.015 . 1 . . . . . . . . 4050 1 148 . 1 1 21 21 ASP HB2 H 1 2.63 0.015 . 2 . . . . . . . . 4050 1 149 . 1 1 21 21 ASP HB3 H 1 2.72 0.015 . 2 . . . . . . . . 4050 1 150 . 1 1 21 21 ASP C C 13 176.83 0.15 . 1 . . . . . . . . 4050 1 151 . 1 1 21 21 ASP CA C 13 56.65 0.15 . 1 . . . . . . . . 4050 1 152 . 1 1 21 21 ASP CB C 13 40.04 0.15 . 1 . . . . . . . . 4050 1 153 . 1 1 21 21 ASP N N 15 120.51 0.2 . 1 . . . . . . . . 4050 1 154 . 1 1 22 22 ASN H H 1 7.75 0.015 . 1 . . . . . . . . 4050 1 155 . 1 1 22 22 ASN HA H 1 5.29 0.015 . 1 . . . . . . . . 4050 1 156 . 1 1 22 22 ASN HB2 H 1 3.15 0.015 . 2 . . . . . . . . 4050 1 157 . 1 1 22 22 ASN HB3 H 1 3.3 0.015 . 2 . . . . . . . . 4050 1 158 . 1 1 22 22 ASN HD21 H 1 7.26 0.015 . 2 . . . . . . . . 4050 1 159 . 1 1 22 22 ASN HD22 H 1 9.4 0.015 . 2 . . . . . . . . 4050 1 160 . 1 1 22 22 ASN C C 13 175.44 0.15 . 1 . . . . . . . . 4050 1 161 . 1 1 22 22 ASN CA C 13 52.47 0.15 . 1 . . . . . . . . 4050 1 162 . 1 1 22 22 ASN CB C 13 39.63 0.15 . 1 . . . . . . . . 4050 1 163 . 1 1 22 22 ASN N N 15 114.6 0.2 . 1 . . . . . . . . 4050 1 164 . 1 1 22 22 ASN ND2 N 15 120.22 0.2 . 1 . . . . . . . . 4050 1 165 . 1 1 23 23 GLY H H 1 7.67 0.015 . 1 . . . . . . . . 4050 1 166 . 1 1 23 23 GLY HA2 H 1 3.88 0.015 . 2 . . . . . . . . 4050 1 167 . 1 1 23 23 GLY HA3 H 1 4.23 0.015 . 2 . . . . . . . . 4050 1 168 . 1 1 23 23 GLY C C 13 173.86 0.15 . 1 . . . . . . . . 4050 1 169 . 1 1 23 23 GLY CA C 13 46.2 0.15 . 1 . . . . . . . . 4050 1 170 . 1 1 23 23 GLY N N 15 105.14 0.2 . 1 . . . . . . . . 4050 1 171 . 1 1 24 24 VAL H H 1 7.49 0.015 . 1 . . . . . . . . 4050 1 172 . 1 1 24 24 VAL HA H 1 4.2 0.015 . 1 . . . . . . . . 4050 1 173 . 1 1 24 24 VAL HB H 1 1.93 0.015 . 1 . . . . . . . . 4050 1 174 . 1 1 24 24 VAL HG11 H 1 0.73 0.015 . 2 . . . . . . . . 4050 1 175 . 1 1 24 24 VAL HG12 H 1 0.73 0.015 . 2 . . . . . . . . 4050 1 176 . 1 1 24 24 VAL HG13 H 1 0.73 0.015 . 2 . . . . . . . . 4050 1 177 . 1 1 24 24 VAL HG21 H 1 0.79 0.015 . 2 . . . . . . . . 4050 1 178 . 1 1 24 24 VAL HG22 H 1 0.79 0.015 . 2 . . . . . . . . 4050 1 179 . 1 1 24 24 VAL HG23 H 1 0.79 0.015 . 2 . . . . . . . . 4050 1 180 . 1 1 24 24 VAL C C 13 175.81 0.15 . 1 . . . . . . . . 4050 1 181 . 1 1 24 24 VAL CA C 13 61.18 0.15 . 1 . . . . . . . . 4050 1 182 . 1 1 24 24 VAL CB C 13 31.63 0.15 . 1 . . . . . . . . 4050 1 183 . 1 1 24 24 VAL CG1 C 13 20.7 0.15 . 2 . . . . . . . . 4050 1 184 . 1 1 24 24 VAL CG2 C 13 21.59 0.15 . 2 . . . . . . . . 4050 1 185 . 1 1 24 24 VAL N N 15 121.74 0.2 . 1 . . . . . . . . 4050 1 186 . 1 1 25 25 ASN H H 1 8.86 0.015 . 1 . . . . . . . . 4050 1 187 . 1 1 25 25 ASN HA H 1 4.73 0.015 . 1 . . . . . . . . 4050 1 188 . 1 1 25 25 ASN HB2 H 1 2.42 0.015 . 2 . . . . . . . . 4050 1 189 . 1 1 25 25 ASN HB3 H 1 2.73 0.015 . 2 . . . . . . . . 4050 1 190 . 1 1 25 25 ASN HD21 H 1 7.01 0.015 . 2 . . . . . . . . 4050 1 191 . 1 1 25 25 ASN HD22 H 1 7.68 0.015 . 2 . . . . . . . . 4050 1 192 . 1 1 25 25 ASN CA C 13 52.36 0.15 . 1 . . . . . . . . 4050 1 193 . 1 1 25 25 ASN CB C 13 36.82 0.15 . 1 . . . . . . . . 4050 1 194 . 1 1 25 25 ASN N N 15 127.63 0.2 . 1 . . . . . . . . 4050 1 195 . 1 1 25 25 ASN ND2 N 15 113.3 0.2 . 1 . . . . . . . . 4050 1 196 . 1 1 26 26 PRO HA H 1 3.65 0.015 . 1 . . . . . . . . 4050 1 197 . 1 1 26 26 PRO HB2 H 1 1.73 0.015 . 2 . . . . . . . . 4050 1 198 . 1 1 26 26 PRO HB3 H 1 2.39 0.015 . 2 . . . . . . . . 4050 1 199 . 1 1 26 26 PRO HG2 H 1 1.96 0.015 . 2 . . . . . . . . 4050 1 200 . 1 1 26 26 PRO HG3 H 1 2.07 0.015 . 2 . . . . . . . . 4050 1 201 . 1 1 26 26 PRO HD2 H 1 3.59 0.015 . 2 . . . . . . . . 4050 1 202 . 1 1 26 26 PRO HD3 H 1 3.74 0.015 . 2 . . . . . . . . 4050 1 203 . 1 1 26 26 PRO C C 13 176.19 0.15 . 1 . . . . . . . . 4050 1 204 . 1 1 26 26 PRO CA C 13 64.23 0.15 . 1 . . . . . . . . 4050 1 205 . 1 1 26 26 PRO CB C 13 31.46 0.15 . 1 . . . . . . . . 4050 1 206 . 1 1 26 26 PRO CG C 13 27.41 0.15 . 1 . . . . . . . . 4050 1 207 . 1 1 26 26 PRO CD C 13 50.98 0.15 . 1 . . . . . . . . 4050 1 208 . 1 1 27 27 GLY H H 1 8.64 0.015 . 1 . . . . . . . . 4050 1 209 . 1 1 27 27 GLY HA2 H 1 3.41 0.015 . 2 . . . . . . . . 4050 1 210 . 1 1 27 27 GLY HA3 H 1 4.13 0.015 . 2 . . . . . . . . 4050 1 211 . 1 1 27 27 GLY C C 13 173.76 0.15 . 1 . . . . . . . . 4050 1 212 . 1 1 27 27 GLY CA C 13 45.25 0.15 . 1 . . . . . . . . 4050 1 213 . 1 1 27 27 GLY N N 15 112.68 0.2 . 1 . . . . . . . . 4050 1 214 . 1 1 28 28 THR H H 1 7.01 0.015 . 1 . . . . . . . . 4050 1 215 . 1 1 28 28 THR HA H 1 3.76 0.015 . 1 . . . . . . . . 4050 1 216 . 1 1 28 28 THR HB H 1 4.15 0.015 . 1 . . . . . . . . 4050 1 217 . 1 1 28 28 THR HG21 H 1 1.09 0.015 . 2 . . . . . . . . 4050 1 218 . 1 1 28 28 THR HG22 H 1 1.09 0.015 . 2 . . . . . . . . 4050 1 219 . 1 1 28 28 THR HG23 H 1 1.09 0.015 . 2 . . . . . . . . 4050 1 220 . 1 1 28 28 THR C C 13 173.56 0.15 . 1 . . . . . . . . 4050 1 221 . 1 1 28 28 THR CA C 13 68.81 0.15 . 1 . . . . . . . . 4050 1 222 . 1 1 28 28 THR CB C 13 62.59 0.15 . 1 . . . . . . . . 4050 1 223 . 1 1 28 28 THR CG2 C 13 21.11 0.15 . 1 . . . . . . . . 4050 1 224 . 1 1 28 28 THR N N 15 116.13 0.2 . 1 . . . . . . . . 4050 1 225 . 1 1 29 29 ASP H H 1 9.44 0.015 . 1 . . . . . . . . 4050 1 226 . 1 1 29 29 ASP HA H 1 4.6 0.015 . 1 . . . . . . . . 4050 1 227 . 1 1 29 29 ASP HB2 H 1 2.66 0.015 . 1 . . . . . . . . 4050 1 228 . 1 1 29 29 ASP HB3 H 1 2.66 0.015 . 1 . . . . . . . . 4050 1 229 . 1 1 29 29 ASP C C 13 176.92 0.15 . 1 . . . . . . . . 4050 1 230 . 1 1 29 29 ASP CA C 13 54.95 0.15 . 1 . . . . . . . . 4050 1 231 . 1 1 29 29 ASP CB C 13 42.8 0.15 . 1 . . . . . . . . 4050 1 232 . 1 1 29 29 ASP N N 15 132.23 0.2 . 1 . . . . . . . . 4050 1 233 . 1 1 30 30 PHE H H 1 9.54 0.015 . 1 . . . . . . . . 4050 1 234 . 1 1 30 30 PHE HA H 1 3.29 0.015 . 1 . . . . . . . . 4050 1 235 . 1 1 30 30 PHE HB2 H 1 2.27 0.015 . 2 . . . . . . . . 4050 1 236 . 1 1 30 30 PHE HB3 H 1 2.77 0.015 . 2 . . . . . . . . 4050 1 237 . 1 1 30 30 PHE C C 13 177.93 0.15 . 1 . . . . . . . . 4050 1 238 . 1 1 30 30 PHE CA C 13 61.17 0.15 . 1 . . . . . . . . 4050 1 239 . 1 1 30 30 PHE CB C 13 41.63 0.15 . 1 . . . . . . . . 4050 1 240 . 1 1 30 30 PHE N N 15 128.59 0.2 . 1 . . . . . . . . 4050 1 241 . 1 1 31 31 LYS H H 1 8.98 0.015 . 1 . . . . . . . . 4050 1 242 . 1 1 31 31 LYS HA H 1 3.83 0.015 . 1 . . . . . . . . 4050 1 243 . 1 1 31 31 LYS HB2 H 1 1.72 0.015 . 2 . . . . . . . . 4050 1 244 . 1 1 31 31 LYS HB3 H 1 1.8 0.015 . 2 . . . . . . . . 4050 1 245 . 1 1 31 31 LYS HG2 H 1 1.36 0.015 . 2 . . . . . . . . 4050 1 246 . 1 1 31 31 LYS HG3 H 1 1.41 0.015 . 2 . . . . . . . . 4050 1 247 . 1 1 31 31 LYS HD2 H 1 1.72 0.015 . 1 . . . . . . . . 4050 1 248 . 1 1 31 31 LYS HD3 H 1 1.72 0.015 . 1 . . . . . . . . 4050 1 249 . 1 1 31 31 LYS HE2 H 1 3.06 0.015 . 1 . . . . . . . . 4050 1 250 . 1 1 31 31 LYS HE3 H 1 3.06 0.015 . 1 . . . . . . . . 4050 1 251 . 1 1 31 31 LYS C C 13 176.62 0.15 . 1 . . . . . . . . 4050 1 252 . 1 1 31 31 LYS CA C 13 58.35 0.15 . 1 . . . . . . . . 4050 1 253 . 1 1 31 31 LYS CB C 13 31.4 0.15 . 1 . . . . . . . . 4050 1 254 . 1 1 31 31 LYS CG C 13 24.35 0.15 . 1 . . . . . . . . 4050 1 255 . 1 1 31 31 LYS CD C 13 29.13 0.15 . 1 . . . . . . . . 4050 1 256 . 1 1 31 31 LYS CE C 13 42.01 0.15 . 1 . . . . . . . . 4050 1 257 . 1 1 31 31 LYS N N 15 115.42 0.2 . 1 . . . . . . . . 4050 1 258 . 1 1 32 32 ASP H H 1 7.74 0.015 . 1 . . . . . . . . 4050 1 259 . 1 1 32 32 ASP HA H 1 4.53 0.015 . 1 . . . . . . . . 4050 1 260 . 1 1 32 32 ASP HB2 H 1 2.51 0.015 . 1 . . . . . . . . 4050 1 261 . 1 1 32 32 ASP HB3 H 1 2.51 0.015 . 1 . . . . . . . . 4050 1 262 . 1 1 32 32 ASP C C 13 176.22 0.15 . 1 . . . . . . . . 4050 1 263 . 1 1 32 32 ASP CA C 13 54.48 0.15 . 1 . . . . . . . . 4050 1 264 . 1 1 32 32 ASP CB C 13 41.8 0.15 . 1 . . . . . . . . 4050 1 265 . 1 1 32 32 ASP N N 15 116.98 0.2 . 1 . . . . . . . . 4050 1 266 . 1 1 33 33 ILE H H 1 6.9 0.015 . 1 . . . . . . . . 4050 1 267 . 1 1 33 33 ILE HA H 1 3.66 0.015 . 1 . . . . . . . . 4050 1 268 . 1 1 33 33 ILE HB H 1 0.67 0.015 . 1 . . . . . . . . 4050 1 269 . 1 1 33 33 ILE HG12 H 1 0.12 0.015 . 2 . . . . . . . . 4050 1 270 . 1 1 33 33 ILE HG13 H 1 1.04 0.015 . 2 . . . . . . . . 4050 1 271 . 1 1 33 33 ILE HG21 H 1 0.36 0.015 . 1 . . . . . . . . 4050 1 272 . 1 1 33 33 ILE HG22 H 1 0.36 0.015 . 1 . . . . . . . . 4050 1 273 . 1 1 33 33 ILE HG23 H 1 0.36 0.015 . 1 . . . . . . . . 4050 1 274 . 1 1 33 33 ILE HD11 H 1 -1.11 0.015 . 1 . . . . . . . . 4050 1 275 . 1 1 33 33 ILE HD12 H 1 -1.11 0.015 . 1 . . . . . . . . 4050 1 276 . 1 1 33 33 ILE HD13 H 1 -1.11 0.015 . 1 . . . . . . . . 4050 1 277 . 1 1 33 33 ILE CA C 13 64.31 0.15 . 1 . . . . . . . . 4050 1 278 . 1 1 33 33 ILE CB C 13 38.67 0.15 . 1 . . . . . . . . 4050 1 279 . 1 1 33 33 ILE CG1 C 13 27.87 0.15 . 1 . . . . . . . . 4050 1 280 . 1 1 33 33 ILE CG2 C 13 16.03 0.15 . 1 . . . . . . . . 4050 1 281 . 1 1 33 33 ILE CD1 C 13 12.3 0.15 . 1 . . . . . . . . 4050 1 282 . 1 1 33 33 ILE N N 15 124.55 0.2 . 1 . . . . . . . . 4050 1 283 . 1 1 34 34 PRO HA H 1 4.35 0.015 . 1 . . . . . . . . 4050 1 284 . 1 1 34 34 PRO HB2 H 1 2.2 0.015 . 2 . . . . . . . . 4050 1 285 . 1 1 34 34 PRO HB3 H 1 2.49 0.015 . 2 . . . . . . . . 4050 1 286 . 1 1 34 34 PRO HG2 H 1 2.03 0.015 . 2 . . . . . . . . 4050 1 287 . 1 1 34 34 PRO HG3 H 1 2.2 0.015 . 2 . . . . . . . . 4050 1 288 . 1 1 34 34 PRO HD2 H 1 3.41 0.015 . 2 . . . . . . . . 4050 1 289 . 1 1 34 34 PRO HD3 H 1 3.85 0.015 . 2 . . . . . . . . 4050 1 290 . 1 1 34 34 PRO C C 13 176.41 0.15 . 1 . . . . . . . . 4050 1 291 . 1 1 34 34 PRO CA C 13 63.61 0.15 . 1 . . . . . . . . 4050 1 292 . 1 1 34 34 PRO CB C 13 33.03 0.15 . 1 . . . . . . . . 4050 1 293 . 1 1 34 34 PRO CG C 13 27.82 0.15 . 1 . . . . . . . . 4050 1 294 . 1 1 34 34 PRO CD C 13 51.49 0.15 . 1 . . . . . . . . 4050 1 295 . 1 1 35 35 ASP H H 1 8.44 0.015 . 1 . . . . . . . . 4050 1 296 . 1 1 35 35 ASP HA H 1 4.3 0.015 . 1 . . . . . . . . 4050 1 297 . 1 1 35 35 ASP HB2 H 1 2.63 0.015 . 2 . . . . . . . . 4050 1 298 . 1 1 35 35 ASP HB3 H 1 2.74 0.015 . 2 . . . . . . . . 4050 1 299 . 1 1 35 35 ASP C C 13 176.24 0.15 . 1 . . . . . . . . 4050 1 300 . 1 1 35 35 ASP CA C 13 56.81 0.15 . 1 . . . . . . . . 4050 1 301 . 1 1 35 35 ASP CB C 13 40.75 0.15 . 1 . . . . . . . . 4050 1 302 . 1 1 35 35 ASP N N 15 118.3 0.2 . 1 . . . . . . . . 4050 1 303 . 1 1 36 36 ASP H H 1 8.35 0.015 . 1 . . . . . . . . 4050 1 304 . 1 1 36 36 ASP HA H 1 4.7 0.015 . 1 . . . . . . . . 4050 1 305 . 1 1 36 36 ASP HB2 H 1 2.73 0.015 . 2 . . . . . . . . 4050 1 306 . 1 1 36 36 ASP HB3 H 1 3.01 0.015 . 2 . . . . . . . . 4050 1 307 . 1 1 36 36 ASP C C 13 175.88 0.15 . 1 . . . . . . . . 4050 1 308 . 1 1 36 36 ASP CA C 13 53.22 0.15 . 1 . . . . . . . . 4050 1 309 . 1 1 36 36 ASP CB C 13 39.81 0.15 . 1 . . . . . . . . 4050 1 310 . 1 1 36 36 ASP N N 15 115.27 0.2 . 1 . . . . . . . . 4050 1 311 . 1 1 37 37 TRP H H 1 7.86 0.015 . 1 . . . . . . . . 4050 1 312 . 1 1 37 37 TRP HA H 1 4.63 0.015 . 1 . . . . . . . . 4050 1 313 . 1 1 37 37 TRP HB2 H 1 3.2 0.015 . 1 . . . . . . . . 4050 1 314 . 1 1 37 37 TRP HB3 H 1 3.2 0.015 . 1 . . . . . . . . 4050 1 315 . 1 1 37 37 TRP HE1 H 1 11.77 0.015 . 1 . . . . . . . . 4050 1 316 . 1 1 37 37 TRP C C 13 175.8 0.15 . 1 . . . . . . . . 4050 1 317 . 1 1 37 37 TRP CA C 13 60.01 0.15 . 1 . . . . . . . . 4050 1 318 . 1 1 37 37 TRP CB C 13 30.91 0.15 . 1 . . . . . . . . 4050 1 319 . 1 1 37 37 TRP N N 15 124.75 0.2 . 1 . . . . . . . . 4050 1 320 . 1 1 37 37 TRP NE1 N 15 131.23 0.2 . 1 . . . . . . . . 4050 1 321 . 1 1 38 38 VAL H H 1 7.28 0.015 . 1 . . . . . . . . 4050 1 322 . 1 1 38 38 VAL CA C 13 70.39 0.15 . 1 . . . . . . . . 4050 1 323 . 1 1 38 38 VAL CB C 13 37.5 0.15 . 1 . . . . . . . . 4050 1 324 . 1 1 38 38 VAL N N 15 122.86 0.2 . 1 . . . . . . . . 4050 1 325 . 1 1 45 45 GLY H H 1 6.9 0.015 . 1 . . . . . . . . 4050 1 326 . 1 1 45 45 GLY HA2 H 1 3.57 0.015 . 2 . . . . . . . . 4050 1 327 . 1 1 45 45 GLY HA3 H 1 4.39 0.015 . 2 . . . . . . . . 4050 1 328 . 1 1 45 45 GLY C C 13 173.91 0.15 . 1 . . . . . . . . 4050 1 329 . 1 1 45 45 GLY CA C 13 44.56 0.15 . 1 . . . . . . . . 4050 1 330 . 1 1 45 45 GLY N N 15 105.01 0.2 . 1 . . . . . . . . 4050 1 331 . 1 1 46 46 LYS H H 1 8.4 0.015 . 1 . . . . . . . . 4050 1 332 . 1 1 46 46 LYS HA H 1 4.09 0.015 . 1 . . . . . . . . 4050 1 333 . 1 1 46 46 LYS HB2 H 1 1.89 0.015 . 1 . . . . . . . . 4050 1 334 . 1 1 46 46 LYS HB3 H 1 1.89 0.015 . 1 . . . . . . . . 4050 1 335 . 1 1 46 46 LYS HG2 H 1 1.32 0.015 . 2 . . . . . . . . 4050 1 336 . 1 1 46 46 LYS HG3 H 1 1.88 0.015 . 2 . . . . . . . . 4050 1 337 . 1 1 46 46 LYS HD2 H 1 1.32 0.015 . 2 . . . . . . . . 4050 1 338 . 1 1 46 46 LYS HD3 H 1 1.43 0.015 . 2 . . . . . . . . 4050 1 339 . 1 1 46 46 LYS HE2 H 1 1.63 0.015 . 2 . . . . . . . . 4050 1 340 . 1 1 46 46 LYS HE3 H 1 2.29 0.015 . 2 . . . . . . . . 4050 1 341 . 1 1 46 46 LYS C C 13 178.11 0.15 . 1 . . . . . . . . 4050 1 342 . 1 1 46 46 LYS CA C 13 60.29 0.15 . 1 . . . . . . . . 4050 1 343 . 1 1 46 46 LYS CB C 13 33.05 0.15 . 1 . . . . . . . . 4050 1 344 . 1 1 46 46 LYS CG C 13 26.03 0.15 . 1 . . . . . . . . 4050 1 345 . 1 1 46 46 LYS CD C 13 29.25 0.15 . 1 . . . . . . . . 4050 1 346 . 1 1 46 46 LYS CE C 13 41.46 0.15 . 1 . . . . . . . . 4050 1 347 . 1 1 46 46 LYS N N 15 115.95 0.2 . 1 . . . . . . . . 4050 1 348 . 1 1 47 47 ASP H H 1 8.52 0.015 . 1 . . . . . . . . 4050 1 349 . 1 1 47 47 ASP HA H 1 4.36 0.015 . 1 . . . . . . . . 4050 1 350 . 1 1 47 47 ASP HB2 H 1 2.49 0.015 . 1 . . . . . . . . 4050 1 351 . 1 1 47 47 ASP HB3 H 1 2.49 0.015 . 1 . . . . . . . . 4050 1 352 . 1 1 47 47 ASP C C 13 176.46 0.15 . 1 . . . . . . . . 4050 1 353 . 1 1 47 47 ASP CA C 13 54.99 0.15 . 1 . . . . . . . . 4050 1 354 . 1 1 47 47 ASP CB C 13 39.08 0.15 . 1 . . . . . . . . 4050 1 355 . 1 1 47 47 ASP N N 15 115.15 0.2 . 1 . . . . . . . . 4050 1 356 . 1 1 48 48 GLN H H 1 7.19 0.015 . 1 . . . . . . . . 4050 1 357 . 1 1 48 48 GLN C C 13 174.82 0.15 . 1 . . . . . . . . 4050 1 358 . 1 1 48 48 GLN CA C 13 53.66 0.15 . 1 . . . . . . . . 4050 1 359 . 1 1 48 48 GLN CB C 13 32.77 0.15 . 1 . . . . . . . . 4050 1 360 . 1 1 48 48 GLN N N 15 116.14 0.2 . 1 . . . . . . . . 4050 1 361 . 1 1 49 49 PHE H H 1 7.87 0.015 . 1 . . . . . . . . 4050 1 362 . 1 1 49 49 PHE HA H 1 3.98 0.015 . 1 . . . . . . . . 4050 1 363 . 1 1 49 49 PHE HB2 H 1 3.00 0.015 . 2 . . . . . . . . 4050 1 364 . 1 1 49 49 PHE HB3 H 1 3.09 0.015 . 2 . . . . . . . . 4050 1 365 . 1 1 49 49 PHE C C 13 176.59 0.15 . 1 . . . . . . . . 4050 1 366 . 1 1 49 49 PHE CA C 13 57.71 0.15 . 1 . . . . . . . . 4050 1 367 . 1 1 49 49 PHE CB C 13 38.91 0.15 . 1 . . . . . . . . 4050 1 368 . 1 1 49 49 PHE N N 15 122.76 0.2 . 1 . . . . . . . . 4050 1 369 . 1 1 50 50 GLU H H 1 10.06 0.015 . 1 . . . . . . . . 4050 1 370 . 1 1 50 50 GLU HA H 1 5.15 0.015 . 1 . . . . . . . . 4050 1 371 . 1 1 50 50 GLU HB2 H 1 2.31 0.015 . 2 . . . . . . . . 4050 1 372 . 1 1 50 50 GLU HB3 H 1 2.36 0.015 . 2 . . . . . . . . 4050 1 373 . 1 1 50 50 GLU HG2 H 1 2.61 0.015 . 2 . . . . . . . . 4050 1 374 . 1 1 50 50 GLU HG3 H 1 2.73 0.015 . 2 . . . . . . . . 4050 1 375 . 1 1 50 50 GLU C C 13 174.98 0.15 . 1 . . . . . . . . 4050 1 376 . 1 1 50 50 GLU CA C 13 54.21 0.15 . 1 . . . . . . . . 4050 1 377 . 1 1 50 50 GLU CB C 13 34.02 0.15 . 1 . . . . . . . . 4050 1 378 . 1 1 50 50 GLU CG C 13 35.67 0.15 . 1 . . . . . . . . 4050 1 379 . 1 1 50 50 GLU N N 15 119.81 0.2 . 1 . . . . . . . . 4050 1 380 . 1 1 51 51 GLU H H 1 9.02 0.015 . 1 . . . . . . . . 4050 1 381 . 1 1 51 51 GLU HA H 1 3.45 0.015 . 1 . . . . . . . . 4050 1 382 . 1 1 51 51 GLU HB2 H 1 1.79 0.015 . 1 . . . . . . . . 4050 1 383 . 1 1 51 51 GLU HB3 H 1 1.79 0.015 . 1 . . . . . . . . 4050 1 384 . 1 1 51 51 GLU HG2 H 1 1.92 0.015 . 2 . . . . . . . . 4050 1 385 . 1 1 51 51 GLU HG3 H 1 1.99 0.015 . 2 . . . . . . . . 4050 1 386 . 1 1 51 51 GLU C C 13 176.37 0.15 . 1 . . . . . . . . 4050 1 387 . 1 1 51 51 GLU CA C 13 57.15 0.15 . 1 . . . . . . . . 4050 1 388 . 1 1 51 51 GLU CB C 13 30.65 0.15 . 1 . . . . . . . . 4050 1 389 . 1 1 51 51 GLU CG C 13 36.44 0.15 . 1 . . . . . . . . 4050 1 390 . 1 1 51 51 GLU N N 15 125.27 0.2 . 1 . . . . . . . . 4050 1 391 . 1 1 52 52 VAL H H 1 8.46 0.015 . 1 . . . . . . . . 4050 1 392 . 1 1 52 52 VAL HA H 1 4.22 0.015 . 1 . . . . . . . . 4050 1 393 . 1 1 52 52 VAL HB H 1 2.04 0.015 . 1 . . . . . . . . 4050 1 394 . 1 1 52 52 VAL HG11 H 1 1.09 0.015 . 2 . . . . . . . . 4050 1 395 . 1 1 52 52 VAL HG12 H 1 1.09 0.015 . 2 . . . . . . . . 4050 1 396 . 1 1 52 52 VAL HG13 H 1 1.09 0.015 . 2 . . . . . . . . 4050 1 397 . 1 1 52 52 VAL HG21 H 1 1.05 0.015 . 2 . . . . . . . . 4050 1 398 . 1 1 52 52 VAL HG22 H 1 1.05 0.015 . 2 . . . . . . . . 4050 1 399 . 1 1 52 52 VAL HG23 H 1 1.05 0.015 . 2 . . . . . . . . 4050 1 400 . 1 1 52 52 VAL C C 13 175.97 0.15 . 1 . . . . . . . . 4050 1 401 . 1 1 52 52 VAL CA C 13 62.52 0.15 . 1 . . . . . . . . 4050 1 402 . 1 1 52 52 VAL CB C 13 32.52 0.15 . 1 . . . . . . . . 4050 1 403 . 1 1 52 52 VAL CG1 C 13 22.13 0.15 . 2 . . . . . . . . 4050 1 404 . 1 1 52 52 VAL CG2 C 13 21.19 0.15 . 2 . . . . . . . . 4050 1 405 . 1 1 52 52 VAL N N 15 125.87 0.2 . 1 . . . . . . . . 4050 1 406 . 1 1 53 53 GLU H H 1 8.78 0.015 . 1 . . . . . . . . 4050 1 407 . 1 1 53 53 GLU HA H 1 4.45 0.015 . 1 . . . . . . . . 4050 1 408 . 1 1 53 53 GLU HB2 H 1 2.05 0.015 . 2 . . . . . . . . 4050 1 409 . 1 1 53 53 GLU HB3 H 1 2.15 0.015 . 2 . . . . . . . . 4050 1 410 . 1 1 53 53 GLU HG2 H 1 2.37 0.015 . 2 . . . . . . . . 4050 1 411 . 1 1 53 53 GLU HG3 H 1 2.42 0.015 . 2 . . . . . . . . 4050 1 412 . 1 1 53 53 GLU C C 13 175.39 0.15 . 1 . . . . . . . . 4050 1 413 . 1 1 53 53 GLU CA C 13 56.62 0.15 . 1 . . . . . . . . 4050 1 414 . 1 1 53 53 GLU CB C 13 30.00 0.15 . 1 . . . . . . . . 4050 1 415 . 1 1 53 53 GLU CG C 13 35.7 0.15 . 1 . . . . . . . . 4050 1 416 . 1 1 53 53 GLU N N 15 128.29 0.2 . 1 . . . . . . . . 4050 1 417 . 1 1 54 54 GLU H H 1 8.12 0.015 . 1 . . . . . . . . 4050 1 418 . 1 1 54 54 GLU HA H 1 4.23 0.015 . 1 . . . . . . . . 4050 1 419 . 1 1 54 54 GLU HB2 H 1 1.94 0.015 . 2 . . . . . . . . 4050 1 420 . 1 1 54 54 GLU HB3 H 1 2.09 0.015 . 2 . . . . . . . . 4050 1 421 . 1 1 54 54 GLU HG2 H 1 2.24 0.015 . 1 . . . . . . . . 4050 1 422 . 1 1 54 54 GLU HG3 H 1 2.24 0.015 . 1 . . . . . . . . 4050 1 423 . 1 1 54 54 GLU CA C 13 57.82 0.15 . 1 . . . . . . . . 4050 1 424 . 1 1 54 54 GLU CB C 13 31.52 0.15 . 1 . . . . . . . . 4050 1 425 . 1 1 54 54 GLU CG C 13 36.55 0.15 . 1 . . . . . . . . 4050 1 426 . 1 1 54 54 GLU N N 15 128.23 0.2 . 1 . . . . . . . . 4050 1 stop_ save_