################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5293 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Cond_1 _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 '1H-15N HSQC' . . . 5293 1 2 HNN . . . 5293 1 3 HN(C)N . . . 5293 1 4 '1H-15N NOESY-HSQC' . . . 5293 1 5 '1H-15N HSQC-TOCSY' . . . 5293 1 6 '1H-15N TOCSY-HSQC' . . . 5293 1 7 HNCA . . . 5293 1 8 HN(CO)CA . . . 5293 1 9 HNCO . . . 5293 1 10 CBCANH . . . 5293 1 11 CBCA(CO)NH . . . 5293 1 12 HNHA . . . 5293 1 13 '1H-1H TOCSY' . . . 5293 1 14 '1H-1H NOESY' . . . 5293 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 LYS H H 1 8.73 0.02 . 1 . . . . . . . . 5293 1 2 . 1 1 1 1 LYS HA H 1 4.39 0.02 . 1 . . . . . . . . 5293 1 3 . 1 1 1 1 LYS HB2 H 1 1.82 0.02 . 1 . . . . . . . . 5293 1 4 . 1 1 1 1 LYS HB3 H 1 1.78 0.02 . 1 . . . . . . . . 5293 1 5 . 1 1 1 1 LYS HG2 H 1 1.45 0.02 . 1 . . . . . . . . 5293 1 6 . 1 1 1 1 LYS HG3 H 1 1.45 0.02 . 1 . . . . . . . . 5293 1 7 . 1 1 1 1 LYS HD2 H 1 1.70 0.02 . 1 . . . . . . . . 5293 1 8 . 1 1 1 1 LYS HD3 H 1 1.70 0.02 . 1 . . . . . . . . 5293 1 9 . 1 1 1 1 LYS HE2 H 1 3.02 0.02 . 1 . . . . . . . . 5293 1 10 . 1 1 1 1 LYS HE3 H 1 3.02 0.02 . 1 . . . . . . . . 5293 1 11 . 1 1 1 1 LYS C C 13 176.17 0.10 . 1 . . . . . . . . 5293 1 12 . 1 1 1 1 LYS CA C 13 56.77 0.10 . 1 . . . . . . . . 5293 1 13 . 1 1 1 1 LYS CB C 13 33.77 0.10 . 1 . . . . . . . . 5293 1 14 . 1 1 1 1 LYS N N 15 125.39 0.05 . 1 . . . . . . . . 5293 1 15 . 1 1 2 2 LYS H H 1 8.45 0.02 . 1 . . . . . . . . 5293 1 16 . 1 1 2 2 LYS HA H 1 4.29 0.02 . 1 . . . . . . . . 5293 1 17 . 1 1 2 2 LYS HB2 H 1 1.81 0.02 . 1 . . . . . . . . 5293 1 18 . 1 1 2 2 LYS HB3 H 1 1.75 0.02 . 1 . . . . . . . . 5293 1 19 . 1 1 2 2 LYS HG2 H 1 1.47 0.02 . 1 . . . . . . . . 5293 1 20 . 1 1 2 2 LYS HG3 H 1 1.47 0.02 . 1 . . . . . . . . 5293 1 21 . 1 1 2 2 LYS HE2 H 1 3.04 0.02 . 1 . . . . . . . . 5293 1 22 . 1 1 2 2 LYS HE3 H 1 3.04 0.02 . 1 . . . . . . . . 5293 1 23 . 1 1 2 2 LYS C C 13 176.30 0.10 . 1 . . . . . . . . 5293 1 24 . 1 1 2 2 LYS CA C 13 56.62 0.10 . 1 . . . . . . . . 5293 1 25 . 1 1 2 2 LYS CB C 13 33.77 0.10 . 1 . . . . . . . . 5293 1 26 . 1 1 2 2 LYS N N 15 124.65 0.05 . 1 . . . . . . . . 5293 1 27 . 1 1 3 3 ALA H H 1 8.40 0.02 . 1 . . . . . . . . 5293 1 28 . 1 1 3 3 ALA HA H 1 4.36 0.02 . 1 . . . . . . . . 5293 1 29 . 1 1 3 3 ALA HB1 H 1 1.37 0.02 . 1 . . . . . . . . 5293 1 30 . 1 1 3 3 ALA HB2 H 1 1.37 0.02 . 1 . . . . . . . . 5293 1 31 . 1 1 3 3 ALA HB3 H 1 1.37 0.02 . 1 . . . . . . . . 5293 1 32 . 1 1 3 3 ALA C C 13 177.73 0.10 . 1 . . . . . . . . 5293 1 33 . 1 1 3 3 ALA CA C 13 52.74 0.10 . 1 . . . . . . . . 5293 1 34 . 1 1 3 3 ALA CB C 13 19.44 0.10 . 1 . . . . . . . . 5293 1 35 . 1 1 3 3 ALA N N 15 126.82 0.05 . 1 . . . . . . . . 5293 1 36 . 1 1 4 4 VAL H H 1 8.20 0.02 . 1 . . . . . . . . 5293 1 37 . 1 1 4 4 VAL HA H 1 4.12 0.02 . 1 . . . . . . . . 5293 1 38 . 1 1 4 4 VAL HB H 1 2.05 0.02 . 1 . . . . . . . . 5293 1 39 . 1 1 4 4 VAL HG11 H 1 0.95 0.02 . 1 . . . . . . . . 5293 1 40 . 1 1 4 4 VAL HG12 H 1 0.95 0.02 . 1 . . . . . . . . 5293 1 41 . 1 1 4 4 VAL HG13 H 1 0.95 0.02 . 1 . . . . . . . . 5293 1 42 . 1 1 4 4 VAL HG21 H 1 0.91 0.02 . 1 . . . . . . . . 5293 1 43 . 1 1 4 4 VAL HG22 H 1 0.91 0.02 . 1 . . . . . . . . 5293 1 44 . 1 1 4 4 VAL HG23 H 1 0.91 0.02 . 1 . . . . . . . . 5293 1 45 . 1 1 4 4 VAL C C 13 176.43 0.10 . 1 . . . . . . . . 5293 1 46 . 1 1 4 4 VAL CA C 13 62.52 0.10 . 1 . . . . . . . . 5293 1 47 . 1 1 4 4 VAL CB C 13 33.42 0.10 . 1 . . . . . . . . 5293 1 48 . 1 1 4 4 VAL N N 15 120.93 0.05 . 1 . . . . . . . . 5293 1 49 . 1 1 5 5 ILE H H 1 8.28 0.02 . 1 . . . . . . . . 5293 1 50 . 1 1 5 5 ILE HA H 1 4.21 0.02 . 1 . . . . . . . . 5293 1 51 . 1 1 5 5 ILE HB H 1 1.85 0.02 . 1 . . . . . . . . 5293 1 52 . 1 1 5 5 ILE HG12 H 1 1.47 0.02 . 1 . . . . . . . . 5293 1 53 . 1 1 5 5 ILE HG13 H 1 1.19 0.02 . 1 . . . . . . . . 5293 1 54 . 1 1 5 5 ILE HG21 H 1 0.90 0.02 . 1 . . . . . . . . 5293 1 55 . 1 1 5 5 ILE HG22 H 1 0.90 0.02 . 1 . . . . . . . . 5293 1 56 . 1 1 5 5 ILE HG23 H 1 0.90 0.02 . 1 . . . . . . . . 5293 1 57 . 1 1 5 5 ILE C C 13 176.17 0.10 . 1 . . . . . . . . 5293 1 58 . 1 1 5 5 ILE CA C 13 61.12 0.10 . 1 . . . . . . . . 5293 1 59 . 1 1 5 5 ILE N N 15 125.55 0.05 . 1 . . . . . . . . 5293 1 60 . 1 1 6 6 ASN H H 1 8.58 0.02 . 1 . . . . . . . . 5293 1 61 . 1 1 6 6 ASN HA H 1 4.72 0.02 . 1 . . . . . . . . 5293 1 62 . 1 1 6 6 ASN HB2 H 1 2.86 0.02 . 1 . . . . . . . . 5293 1 63 . 1 1 6 6 ASN HB3 H 1 2.81 0.02 . 1 . . . . . . . . 5293 1 64 . 1 1 6 6 ASN C C 13 176.05 0.10 . 1 . . . . . . . . 5293 1 65 . 1 1 6 6 ASN CA C 13 53.82 0.10 . 1 . . . . . . . . 5293 1 66 . 1 1 6 6 ASN CB C 13 39.36 0.10 . 1 . . . . . . . . 5293 1 67 . 1 1 6 6 ASN N N 15 123.94 0.05 . 1 . . . . . . . . 5293 1 68 . 1 1 7 7 GLY H H 1 8.44 0.02 . 1 . . . . . . . . 5293 1 69 . 1 1 7 7 GLY HA2 H 1 3.96 0.02 . 1 . . . . . . . . 5293 1 70 . 1 1 7 7 GLY HA3 H 1 3.96 0.02 . 1 . . . . . . . . 5293 1 71 . 1 1 7 7 GLY C C 13 174.62 0.10 . 1 . . . . . . . . 5293 1 72 . 1 1 7 7 GLY CA C 13 45.90 0.10 . 1 . . . . . . . . 5293 1 73 . 1 1 7 7 GLY N N 15 109.85 0.05 . 1 . . . . . . . . 5293 1 74 . 1 1 8 8 GLU H H 1 8.20 0.02 . 1 . . . . . . . . 5293 1 75 . 1 1 8 8 GLU HA H 1 4.36 0.02 . 1 . . . . . . . . 5293 1 76 . 1 1 8 8 GLU HB2 H 1 2.12 0.02 . 1 . . . . . . . . 5293 1 77 . 1 1 8 8 GLU HB3 H 1 2.01 0.02 . 1 . . . . . . . . 5293 1 78 . 1 1 8 8 GLU HG2 H 1 2.46 0.02 . 1 . . . . . . . . 5293 1 79 . 1 1 8 8 GLU HG3 H 1 2.46 0.02 . 1 . . . . . . . . 5293 1 80 . 1 1 8 8 GLU C C 13 176.30 0.10 . 1 . . . . . . . . 5293 1 81 . 1 1 8 8 GLU CA C 13 56.31 0.10 . 1 . . . . . . . . 5293 1 82 . 1 1 8 8 GLU CB C 13 28.88 0.10 . 1 . . . . . . . . 5293 1 83 . 1 1 8 8 GLU N N 15 119.95 0.05 . 1 . . . . . . . . 5293 1 84 . 1 1 9 9 GLN H H 1 8.43 0.02 . 1 . . . . . . . . 5293 1 85 . 1 1 9 9 GLN HA H 1 4.35 0.02 . 1 . . . . . . . . 5293 1 86 . 1 1 9 9 GLN HB2 H 1 2.09 0.02 . 1 . . . . . . . . 5293 1 87 . 1 1 9 9 GLN HB3 H 1 2.00 0.02 . 1 . . . . . . . . 5293 1 88 . 1 1 9 9 GLN HG2 H 1 2.37 0.02 . 1 . . . . . . . . 5293 1 89 . 1 1 9 9 GLN HG3 H 1 2.37 0.02 . 1 . . . . . . . . 5293 1 90 . 1 1 9 9 GLN C C 13 176.30 0.10 . 1 . . . . . . . . 5293 1 91 . 1 1 9 9 GLN CA C 13 56.31 0.10 . 1 . . . . . . . . 5293 1 92 . 1 1 9 9 GLN CB C 13 29.57 0.10 . 1 . . . . . . . . 5293 1 93 . 1 1 9 9 GLN N N 15 121.87 0.10 . 1 . . . . . . . . 5293 1 94 . 1 1 10 10 ILE H H 1 8.20 0.02 . 1 . . . . . . . . 5293 1 95 . 1 1 10 10 ILE HA H 1 4.16 0.02 . 1 . . . . . . . . 5293 1 96 . 1 1 10 10 ILE HB H 1 1.87 0.02 . 1 . . . . . . . . 5293 1 97 . 1 1 10 10 ILE HG12 H 1 1.46 0.02 . 1 . . . . . . . . 5293 1 98 . 1 1 10 10 ILE HG13 H 1 1.19 0.02 . 1 . . . . . . . . 5293 1 99 . 1 1 10 10 ILE HG21 H 1 0.87 0.02 . 1 . . . . . . . . 5293 1 100 . 1 1 10 10 ILE HG22 H 1 0.87 0.02 . 1 . . . . . . . . 5293 1 101 . 1 1 10 10 ILE HG23 H 1 0.87 0.02 . 1 . . . . . . . . 5293 1 102 . 1 1 10 10 ILE C C 13 174.88 0.10 . 1 . . . . . . . . 5293 1 103 . 1 1 10 10 ILE CA C 13 61.59 0.10 . 1 . . . . . . . . 5293 1 104 . 1 1 10 10 ILE N N 15 122.89 0.10 . 1 . . . . . . . . 5293 1 105 . 1 1 11 11 ARG H H 1 8.36 0.02 . 1 . . . . . . . . 5293 1 106 . 1 1 11 11 ARG HA H 1 4.43 0.02 . 1 . . . . . . . . 5293 1 107 . 1 1 11 11 ARG HG2 H 1 1.65 0.02 . 1 . . . . . . . . 5293 1 108 . 1 1 11 11 ARG HG3 H 1 1.65 0.02 . 1 . . . . . . . . 5293 1 109 . 1 1 11 11 ARG HD2 H 1 2.90 0.02 . 1 . . . . . . . . 5293 1 110 . 1 1 11 11 ARG HD3 H 1 2.90 0.02 . 1 . . . . . . . . 5293 1 111 . 1 1 11 11 ARG C C 13 176.82 0.10 . 1 . . . . . . . . 5293 1 112 . 1 1 11 11 ARG CB C 13 39.01 0.10 . 1 . . . . . . . . 5293 1 113 . 1 1 11 11 ARG N N 15 121.51 1 . 1 . . . . . . . . 5293 1 114 . 1 1 12 12 SER H H 1 8.31 0.02 . 1 . . . . . . . . 5293 1 115 . 1 1 12 12 SER HA H 1 4.43 0.02 . 1 . . . . . . . . 5293 1 116 . 1 1 12 12 SER HB2 H 1 3.88 0.02 . 1 . . . . . . . . 5293 1 117 . 1 1 12 12 SER HB3 H 1 3.85 0.02 . 1 . . . . . . . . 5293 1 118 . 1 1 12 12 SER CA C 13 58.95 0.10 . 1 . . . . . . . . 5293 1 119 . 1 1 12 12 SER CB C 13 64.52 0.10 . 1 . . . . . . . . 5293 1 120 . 1 1 12 12 SER N N 15 119.18 0.10 . 1 . . . . . . . . 5293 1 121 . 1 1 15 15 ASP H H 1 8.35 0.02 . 1 . . . . . . . . 5293 1 122 . 1 1 15 15 ASP HA H 1 4.70 0.02 . 1 . . . . . . . . 5293 1 123 . 1 1 15 15 ASP HB2 H 1 2.88 0.02 . 1 . . . . . . . . 5293 1 124 . 1 1 15 15 ASP HB3 H 1 2.83 0.02 . 1 . . . . . . . . 5293 1 125 . 1 1 15 15 ASP C C 13 175.53 0.10 . 1 . . . . . . . . 5293 1 126 . 1 1 15 15 ASP CA C 13 53.51 0.10 . 1 . . . . . . . . 5293 1 127 . 1 1 15 15 ASP N N 15 124.14 0.10 . 1 . . . . . . . . 5293 1 128 . 1 1 16 16 LEU H H 1 8.06 0.02 . 1 . . . . . . . . 5293 1 129 . 1 1 16 16 LEU HA H 1 4.26 0.02 . 1 . . . . . . . . 5293 1 130 . 1 1 16 16 LEU HB2 H 1 1.55 0.02 . 1 . . . . . . . . 5293 1 131 . 1 1 16 16 LEU HB3 H 1 1.55 0.02 . 1 . . . . . . . . 5293 1 132 . 1 1 16 16 LEU HD11 H 1 0.87 0.02 . 1 . . . . . . . . 5293 1 133 . 1 1 16 16 LEU HD12 H 1 0.87 0.02 . 1 . . . . . . . . 5293 1 134 . 1 1 16 16 LEU HD13 H 1 0.87 0.02 . 1 . . . . . . . . 5293 1 135 . 1 1 16 16 LEU HD21 H 1 0.87 0.02 . 1 . . . . . . . . 5293 1 136 . 1 1 16 16 LEU HD22 H 1 0.87 0.02 . 1 . . . . . . . . 5293 1 137 . 1 1 16 16 LEU HD23 H 1 0.87 0.02 . 1 . . . . . . . . 5293 1 138 . 1 1 16 16 LEU N N 15 122.24 0.10 . 1 . . . . . . . . 5293 1 139 . 1 1 17 17 HIS H H 1 8.44 0.02 . 1 . . . . . . . . 5293 1 140 . 1 1 17 17 HIS HA H 1 4.68 0.02 . 1 . . . . . . . . 5293 1 141 . 1 1 17 17 HIS HB2 H 1 3.30 0.02 . 1 . . . . . . . . 5293 1 142 . 1 1 17 17 HIS HB3 H 1 3.21 0.02 . 1 . . . . . . . . 5293 1 143 . 1 1 17 17 HIS CA C 13 55.53 0.10 . 1 . . . . . . . . 5293 1 144 . 1 1 17 17 HIS CB C 13 38.66 0.10 . 1 . . . . . . . . 5293 1 145 . 1 1 17 17 HIS N N 15 118.73 0.10 . 1 . . . . . . . . 5293 1 146 . 1 1 18 18 GLN H H 1 8.35 0.02 . 1 . . . . . . . . 5293 1 147 . 1 1 18 18 GLN HA H 1 4.32 0.02 . 1 . . . . . . . . 5293 1 148 . 1 1 18 18 GLN HB2 H 1 2.10 0.02 . 1 . . . . . . . . 5293 1 149 . 1 1 18 18 GLN HB3 H 1 1.99 0.02 . 1 . . . . . . . . 5293 1 150 . 1 1 18 18 GLN HG2 H 1 2.36 0.02 . 1 . . . . . . . . 5293 1 151 . 1 1 18 18 GLN HG3 H 1 2.36 0.02 . 1 . . . . . . . . 5293 1 152 . 1 1 18 18 GLN C C 13 176.30 0.10 . 1 . . . . . . . . 5293 1 153 . 1 1 18 18 GLN CA C 13 56.31 0.10 . 1 . . . . . . . . 5293 1 154 . 1 1 18 18 GLN CB C 13 30.27 0.10 . 1 . . . . . . . . 5293 1 155 . 1 1 18 18 GLN N N 15 121.68 0.10 . 1 . . . . . . . . 5293 1 156 . 1 1 19 19 THR H H 1 8.34 0.02 . 1 . . . . . . . . 5293 1 157 . 1 1 19 19 THR HA H 1 4.43 0.02 . 1 . . . . . . . . 5293 1 158 . 1 1 19 19 THR HB H 1 4.20 0.02 . 1 . . . . . . . . 5293 1 159 . 1 1 19 19 THR HG21 H 1 1.22 0.02 . 1 . . . . . . . . 5293 1 160 . 1 1 19 19 THR HG22 H 1 1.22 0.02 . 1 . . . . . . . . 5293 1 161 . 1 1 19 19 THR HG23 H 1 1.22 0.02 . 1 . . . . . . . . 5293 1 162 . 1 1 19 19 THR C C 13 174.62 0.10 . 1 . . . . . . . . 5293 1 163 . 1 1 19 19 THR CA C 13 62.37 0.10 . 1 . . . . . . . . 5293 1 164 . 1 1 19 19 THR N N 15 117.04 0.10 . 1 . . . . . . . . 5293 1 165 . 1 1 20 20 LEU H H 1 8.32 0.02 . 1 . . . . . . . . 5293 1 166 . 1 1 20 20 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . 5293 1 167 . 1 1 20 20 LEU HB2 H 1 1.65 0.02 . 1 . . . . . . . . 5293 1 168 . 1 1 20 20 LEU HB3 H 1 1.65 0.02 . 1 . . . . . . . . 5293 1 169 . 1 1 20 20 LEU HG H 1 1.61 0.02 . 1 . . . . . . . . 5293 1 170 . 1 1 20 20 LEU N N 15 125.76 0.10 . 1 . . . . . . . . 5293 1 171 . 1 1 68 68 GLU H H 1 8.42 0.02 . 1 . . . . . . . . 5293 1 172 . 1 1 68 68 GLU HA H 1 4.41 0.02 . 1 . . . . . . . . 5293 1 173 . 1 1 68 68 GLU HB2 H 1 2.10 0.02 . 1 . . . . . . . . 5293 1 174 . 1 1 68 68 GLU HB3 H 1 2.00 0.02 . 1 . . . . . . . . 5293 1 175 . 1 1 68 68 GLU HG2 H 1 2.36 0.02 . 1 . . . . . . . . 5293 1 176 . 1 1 68 68 GLU HG3 H 1 2.36 0.02 . 1 . . . . . . . . 5293 1 177 . 1 1 68 68 GLU C C 13 176.43 0.10 . 1 . . . . . . . . 5293 1 178 . 1 1 68 68 GLU CA C 13 56.46 0.10 . 1 . . . . . . . . 5293 1 179 . 1 1 68 68 GLU CB C 13 31.32 0.10 . 1 . . . . . . . . 5293 1 180 . 1 1 68 68 GLU N N 15 125.69 0.10 . 1 . . . . . . . . 5293 1 181 . 1 1 69 69 SER H H 1 8.32 0.02 . 1 . . . . . . . . 5293 1 182 . 1 1 69 69 SER HA H 1 4.50 0.02 . 1 . . . . . . . . 5293 1 183 . 1 1 69 69 SER HB2 H 1 3.89 0.02 . 1 . . . . . . . . 5293 1 184 . 1 1 69 69 SER HB3 H 1 3.86 0.02 . 1 . . . . . . . . 5293 1 185 . 1 1 69 69 SER C C 13 175.01 0.10 . 1 . . . . . . . . 5293 1 186 . 1 1 69 69 SER CA C 13 58.48 0.10 . 1 . . . . . . . . 5293 1 187 . 1 1 69 69 SER CB C 13 64.17 0.10 . 1 . . . . . . . . 5293 1 188 . 1 1 69 69 SER N N 15 117.65 0.10 . 1 . . . . . . . . 5293 1 189 . 1 1 70 70 VAL H H 1 8.25 0.02 . 1 . . . . . . . . 5293 1 190 . 1 1 70 70 VAL HA H 1 4.23 0.02 . 1 . . . . . . . . 5293 1 191 . 1 1 70 70 VAL HB H 1 1.90 0.02 . 1 . . . . . . . . 5293 1 192 . 1 1 70 70 VAL HG11 H 1 0.92 0.02 . 1 . . . . . . . . 5293 1 193 . 1 1 70 70 VAL HG12 H 1 0.92 0.02 . 1 . . . . . . . . 5293 1 194 . 1 1 70 70 VAL HG13 H 1 0.92 0.02 . 1 . . . . . . . . 5293 1 195 . 1 1 70 70 VAL HG21 H 1 0.92 0.02 . 1 . . . . . . . . 5293 1 196 . 1 1 70 70 VAL HG22 H 1 0.92 0.02 . 1 . . . . . . . . 5293 1 197 . 1 1 70 70 VAL HG23 H 1 0.92 0.02 . 1 . . . . . . . . 5293 1 198 . 1 1 70 70 VAL CA C 13 61.74 0.10 . 1 . . . . . . . . 5293 1 199 . 1 1 70 70 VAL N N 15 122.90 0.10 . 1 . . . . . . . . 5293 1 stop_ save_