################################### # 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_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Entry_ID 1586 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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 . 1586 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 PHE HA H 1 4.22 0.02 . 1 . . . . . . . . 1586 1 2 . 1 1 1 1 PHE HB2 H 1 3.14 0.02 . 2 . . . . . . . . 1586 1 3 . 1 1 1 1 PHE HB3 H 1 3.17 0.02 . 2 . . . . . . . . 1586 1 4 . 1 1 1 1 PHE HD1 H 1 7.23 0.02 . 1 . . . . . . . . 1586 1 5 . 1 1 1 1 PHE HD2 H 1 7.23 0.02 . 1 . . . . . . . . 1586 1 6 . 1 1 1 1 PHE HE1 H 1 7.35 0.02 . 1 . . . . . . . . 1586 1 7 . 1 1 1 1 PHE HE2 H 1 7.35 0.02 . 1 . . . . . . . . 1586 1 8 . 1 1 2 2 VAL H H 1 8.13 0.02 . 1 . . . . . . . . 1586 1 9 . 1 1 2 2 VAL HA H 1 4.06 0.02 . 1 . . . . . . . . 1586 1 10 . 1 1 2 2 VAL HB H 1 1.84 0.02 . 1 . . . . . . . . 1586 1 11 . 1 1 2 2 VAL HG11 H 1 .8 0.02 . 2 . . . . . . . . 1586 1 12 . 1 1 2 2 VAL HG12 H 1 .8 0.02 . 2 . . . . . . . . 1586 1 13 . 1 1 2 2 VAL HG13 H 1 .8 0.02 . 2 . . . . . . . . 1586 1 14 . 1 1 2 2 VAL HG21 H 1 .84 0.02 . 2 . . . . . . . . 1586 1 15 . 1 1 2 2 VAL HG22 H 1 .84 0.02 . 2 . . . . . . . . 1586 1 16 . 1 1 2 2 VAL HG23 H 1 .84 0.02 . 2 . . . . . . . . 1586 1 17 . 1 1 3 3 ASN H H 1 8.54 0.02 . 1 . . . . . . . . 1586 1 18 . 1 1 3 3 ASN HA H 1 4.69 0.02 . 1 . . . . . . . . 1586 1 19 . 1 1 3 3 ASN HB2 H 1 2.71 0.02 . 1 . . . . . . . . 1586 1 20 . 1 1 3 3 ASN HB3 H 1 2.71 0.02 . 1 . . . . . . . . 1586 1 21 . 1 1 3 3 ASN HD21 H 1 6.9 0.02 . 2 . . . . . . . . 1586 1 22 . 1 1 3 3 ASN HD22 H 1 7.55 0.02 . 2 . . . . . . . . 1586 1 23 . 1 1 4 4 GLN H H 1 8.53 0.02 . 1 . . . . . . . . 1586 1 24 . 1 1 4 4 GLN HA H 1 4.49 0.02 . 1 . . . . . . . . 1586 1 25 . 1 1 4 4 GLN HB2 H 1 1.92 0.02 . 2 . . . . . . . . 1586 1 26 . 1 1 4 4 GLN HB3 H 1 2.08 0.02 . 2 . . . . . . . . 1586 1 27 . 1 1 4 4 GLN HG2 H 1 2.21 0.02 . 1 . . . . . . . . 1586 1 28 . 1 1 4 4 GLN HG3 H 1 2.21 0.02 . 1 . . . . . . . . 1586 1 29 . 1 1 5 5 HIS H H 1 8.77 0.02 . 1 . . . . . . . . 1586 1 30 . 1 1 5 5 HIS HA H 1 4.38 0.02 . 1 . . . . . . . . 1586 1 31 . 1 1 5 5 HIS HB2 H 1 3.27 0.02 . 2 . . . . . . . . 1586 1 32 . 1 1 5 5 HIS HB3 H 1 3.58 0.02 . 2 . . . . . . . . 1586 1 33 . 1 1 5 5 HIS HD1 H 1 7.4 0.02 . 1 . . . . . . . . 1586 1 34 . 1 1 5 5 HIS HD2 H 1 7.4 0.02 . 1 . . . . . . . . 1586 1 35 . 1 1 5 5 HIS HE1 H 1 8.63 0.02 . 1 . . . . . . . . 1586 1 36 . 1 1 5 5 HIS HE2 H 1 8.63 0.02 . 1 . . . . . . . . 1586 1 37 . 1 1 6 6 LEU H H 1 9.17 0.02 . 1 . . . . . . . . 1586 1 38 . 1 1 6 6 LEU HA H 1 4.5 0.02 . 1 . . . . . . . . 1586 1 39 . 1 1 6 6 LEU HB2 H 1 1.6 0.02 . 2 . . . . . . . . 1586 1 40 . 1 1 6 6 LEU HB3 H 1 1.8 0.02 . 2 . . . . . . . . 1586 1 41 . 1 1 6 6 LEU HG H 1 1.61 0.02 . 1 . . . . . . . . 1586 1 42 . 1 1 6 6 LEU HD11 H 1 .68 0.02 . 2 . . . . . . . . 1586 1 43 . 1 1 6 6 LEU HD12 H 1 .68 0.02 . 2 . . . . . . . . 1586 1 44 . 1 1 6 6 LEU HD13 H 1 .68 0.02 . 2 . . . . . . . . 1586 1 45 . 1 1 6 6 LEU HD21 H 1 .9 0.02 . 2 . . . . . . . . 1586 1 46 . 1 1 6 6 LEU HD22 H 1 .9 0.02 . 2 . . . . . . . . 1586 1 47 . 1 1 6 6 LEU HD23 H 1 .9 0.02 . 2 . . . . . . . . 1586 1 48 . 1 1 7 7 CYS H H 1 8.41 0.02 . 1 . . . . . . . . 1586 1 49 . 1 1 7 7 CYS HA H 1 5.04 0.02 . 1 . . . . . . . . 1586 1 50 . 1 1 7 7 CYS HB2 H 1 2.94 0.02 . 2 . . . . . . . . 1586 1 51 . 1 1 7 7 CYS HB3 H 1 3.26 0.02 . 2 . . . . . . . . 1586 1 52 . 1 1 8 8 GLY H H 1 9.63 0.02 . 1 . . . . . . . . 1586 1 53 . 1 1 8 8 GLY HA2 H 1 3.84 0.02 . 1 . . . . . . . . 1586 1 54 . 1 1 8 8 GLY HA3 H 1 3.84 0.02 . 1 . . . . . . . . 1586 1 55 . 1 1 9 9 ASP H H 1 9.04 0.02 . 1 . . . . . . . . 1586 1 56 . 1 1 9 9 ASP HA H 1 3.53 0.02 . 1 . . . . . . . . 1586 1 57 . 1 1 9 9 ASP HB2 H 1 2.44 0.02 . 1 . . . . . . . . 1586 1 58 . 1 1 9 9 ASP HB3 H 1 2.44 0.02 . 1 . . . . . . . . 1586 1 59 . 1 1 10 10 HIS H H 1 7.9 0.02 . 1 . . . . . . . . 1586 1 60 . 1 1 10 10 HIS HA H 1 4.29 0.02 . 1 . . . . . . . . 1586 1 61 . 1 1 10 10 HIS HB2 H 1 3.19 0.02 . 2 . . . . . . . . 1586 1 62 . 1 1 10 10 HIS HB3 H 1 3.53 0.02 . 2 . . . . . . . . 1586 1 63 . 1 1 10 10 HIS HD2 H 1 7.4 0.02 . 1 . . . . . . . . 1586 1 64 . 1 1 10 10 HIS HE1 H 1 8.66 0.02 . 1 . . . . . . . . 1586 1 65 . 1 1 12 12 VAL H H 1 6.8 0.02 . 1 . . . . . . . . 1586 1 66 . 1 1 12 12 VAL HA H 1 3.38 0.02 . 1 . . . . . . . . 1586 1 67 . 1 1 12 12 VAL HB H 1 1.91 0.02 . 1 . . . . . . . . 1586 1 68 . 1 1 12 12 VAL HG11 H 1 .52 0.02 . 1 . . . . . . . . 1586 1 69 . 1 1 12 12 VAL HG12 H 1 .52 0.02 . 1 . . . . . . . . 1586 1 70 . 1 1 12 12 VAL HG13 H 1 .52 0.02 . 1 . . . . . . . . 1586 1 71 . 1 1 12 12 VAL HG21 H 1 .52 0.02 . 1 . . . . . . . . 1586 1 72 . 1 1 12 12 VAL HG22 H 1 .52 0.02 . 1 . . . . . . . . 1586 1 73 . 1 1 12 12 VAL HG23 H 1 .52 0.02 . 1 . . . . . . . . 1586 1 74 . 1 1 13 13 GLU H H 1 7.81 0.02 . 1 . . . . . . . . 1586 1 75 . 1 1 13 13 GLU HA H 1 3.91 0.02 . 1 . . . . . . . . 1586 1 76 . 1 1 13 13 GLU HB2 H 1 1.99 0.02 . 1 . . . . . . . . 1586 1 77 . 1 1 13 13 GLU HB3 H 1 1.99 0.02 . 1 . . . . . . . . 1586 1 78 . 1 1 13 13 GLU HG2 H 1 2.2 0.02 . 2 . . . . . . . . 1586 1 79 . 1 1 13 13 GLU HG3 H 1 2.44 0.02 . 2 . . . . . . . . 1586 1 80 . 1 1 14 14 ALA H H 1 7.47 0.02 . 1 . . . . . . . . 1586 1 81 . 1 1 14 14 ALA HA H 1 4.16 0.02 . 1 . . . . . . . . 1586 1 82 . 1 1 14 14 ALA HB1 H 1 1.47 0.02 . 1 . . . . . . . . 1586 1 83 . 1 1 14 14 ALA HB2 H 1 1.47 0.02 . 1 . . . . . . . . 1586 1 84 . 1 1 14 14 ALA HB3 H 1 1.47 0.02 . 1 . . . . . . . . 1586 1 85 . 1 1 15 15 LEU H H 1 7.77 0.02 . 1 . . . . . . . . 1586 1 86 . 1 1 15 15 LEU HA H 1 3.63 0.02 . 1 . . . . . . . . 1586 1 87 . 1 1 15 15 LEU HB2 H 1 .02 0.02 . 2 . . . . . . . . 1586 1 88 . 1 1 15 15 LEU HB3 H 1 .73 0.02 . 2 . . . . . . . . 1586 1 89 . 1 1 15 15 LEU HG H 1 1.31 0.02 . 1 . . . . . . . . 1586 1 90 . 1 1 15 15 LEU HD11 H 1 .46 0.02 . 2 . . . . . . . . 1586 1 91 . 1 1 15 15 LEU HD12 H 1 .46 0.02 . 2 . . . . . . . . 1586 1 92 . 1 1 15 15 LEU HD13 H 1 .46 0.02 . 2 . . . . . . . . 1586 1 93 . 1 1 15 15 LEU HD21 H 1 .65 0.02 . 2 . . . . . . . . 1586 1 94 . 1 1 15 15 LEU HD22 H 1 .65 0.02 . 2 . . . . . . . . 1586 1 95 . 1 1 15 15 LEU HD23 H 1 .65 0.02 . 2 . . . . . . . . 1586 1 96 . 1 1 16 16 TYR H H 1 7.76 0.02 . 1 . . . . . . . . 1586 1 97 . 1 1 16 16 TYR HA H 1 4.2 0.02 . 1 . . . . . . . . 1586 1 98 . 1 1 16 16 TYR HB2 H 1 3.03 0.02 . 2 . . . . . . . . 1586 1 99 . 1 1 16 16 TYR HB3 H 1 3.25 0.02 . 2 . . . . . . . . 1586 1 100 . 1 1 16 16 TYR HD1 H 1 6.97 0.02 . 1 . . . . . . . . 1586 1 101 . 1 1 16 16 TYR HD2 H 1 6.97 0.02 . 1 . . . . . . . . 1586 1 102 . 1 1 16 16 TYR HE1 H 1 6.8 0.02 . 1 . . . . . . . . 1586 1 103 . 1 1 16 16 TYR HE2 H 1 6.8 0.02 . 1 . . . . . . . . 1586 1 104 . 1 1 17 17 LEU H H 1 7.63 0.02 . 1 . . . . . . . . 1586 1 105 . 1 1 17 17 LEU HA H 1 3.98 0.02 . 1 . . . . . . . . 1586 1 106 . 1 1 17 17 LEU HB2 H 1 1.75 0.02 . 2 . . . . . . . . 1586 1 107 . 1 1 17 17 LEU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 1586 1 108 . 1 1 17 17 LEU HG H 1 1.79 0.02 . 1 . . . . . . . . 1586 1 109 . 1 1 17 17 LEU HD11 H 1 .95 0.02 . 2 . . . . . . . . 1586 1 110 . 1 1 17 17 LEU HD12 H 1 .95 0.02 . 2 . . . . . . . . 1586 1 111 . 1 1 17 17 LEU HD13 H 1 .95 0.02 . 2 . . . . . . . . 1586 1 112 . 1 1 17 17 LEU HD21 H 1 .96 0.02 . 2 . . . . . . . . 1586 1 113 . 1 1 17 17 LEU HD22 H 1 .96 0.02 . 2 . . . . . . . . 1586 1 114 . 1 1 17 17 LEU HD23 H 1 .96 0.02 . 2 . . . . . . . . 1586 1 115 . 1 1 18 18 VAL H H 1 8.67 0.02 . 1 . . . . . . . . 1586 1 116 . 1 1 18 18 VAL HA H 1 3.8 0.02 . 1 . . . . . . . . 1586 1 117 . 1 1 18 18 VAL HB H 1 2.06 0.02 . 1 . . . . . . . . 1586 1 118 . 1 1 18 18 VAL HG11 H 1 .84 0.02 . 2 . . . . . . . . 1586 1 119 . 1 1 18 18 VAL HG12 H 1 .84 0.02 . 2 . . . . . . . . 1586 1 120 . 1 1 18 18 VAL HG13 H 1 .84 0.02 . 2 . . . . . . . . 1586 1 121 . 1 1 18 18 VAL HG21 H 1 .98 0.02 . 2 . . . . . . . . 1586 1 122 . 1 1 18 18 VAL HG22 H 1 .98 0.02 . 2 . . . . . . . . 1586 1 123 . 1 1 18 18 VAL HG23 H 1 .98 0.02 . 2 . . . . . . . . 1586 1 124 . 1 1 19 19 CYS H H 1 8.58 0.02 . 1 . . . . . . . . 1586 1 125 . 1 1 19 19 CYS HA H 1 5.08 0.02 . 1 . . . . . . . . 1586 1 126 . 1 1 19 19 CYS HB2 H 1 2.78 0.02 . 2 . . . . . . . . 1586 1 127 . 1 1 19 19 CYS HB3 H 1 3.07 0.02 . 2 . . . . . . . . 1586 1 128 . 1 1 20 20 GLY H H 1 7.31 0.02 . 1 . . . . . . . . 1586 1 129 . 1 1 20 20 GLY HA2 H 1 3.87 0.02 . 2 . . . . . . . . 1586 1 130 . 1 1 20 20 GLY HA3 H 1 3.97 0.02 . 2 . . . . . . . . 1586 1 131 . 1 1 21 21 GLU H H 1 9.11 0.02 . 1 . . . . . . . . 1586 1 132 . 1 1 21 21 GLU HA H 1 4.17 0.02 . 1 . . . . . . . . 1586 1 133 . 1 1 21 21 GLU HB2 H 1 2.23 0.02 . 2 . . . . . . . . 1586 1 134 . 1 1 21 21 GLU HB3 H 1 2.11 0.02 . 2 . . . . . . . . 1586 1 135 . 1 1 21 21 GLU HG2 H 1 2.61 0.02 . 1 . . . . . . . . 1586 1 136 . 1 1 21 21 GLU HG3 H 1 2.61 0.02 . 1 . . . . . . . . 1586 1 137 . 1 1 22 22 ARG H H 1 8.04 0.02 . 1 . . . . . . . . 1586 1 138 . 1 1 22 22 ARG HA H 1 4.16 0.02 . 1 . . . . . . . . 1586 1 139 . 1 1 22 22 ARG HB2 H 1 2.18 0.02 . 2 . . . . . . . . 1586 1 140 . 1 1 22 22 ARG HB3 H 1 2.14 0.02 . 2 . . . . . . . . 1586 1 141 . 1 1 22 22 ARG HG2 H 1 1.92 0.02 . 1 . . . . . . . . 1586 1 142 . 1 1 22 22 ARG HG3 H 1 1.92 0.02 . 1 . . . . . . . . 1586 1 143 . 1 1 22 22 ARG HD2 H 1 3.39 0.02 . 1 . . . . . . . . 1586 1 144 . 1 1 22 22 ARG HD3 H 1 3.39 0.02 . 1 . . . . . . . . 1586 1 145 . 1 1 22 22 ARG HE H 1 7.01 0.02 . 1 . . . . . . . . 1586 1 146 . 1 1 23 23 GLY H H 1 7.41 0.02 . 1 . . . . . . . . 1586 1 147 . 1 1 23 23 GLY HA2 H 1 3.91 0.02 . 2 . . . . . . . . 1586 1 148 . 1 1 23 23 GLY HA3 H 1 3.95 0.02 . 2 . . . . . . . . 1586 1 149 . 1 1 24 24 PHE H H 1 8.74 0.02 . 1 . . . . . . . . 1586 1 150 . 1 1 24 24 PHE HA H 1 5.41 0.02 . 1 . . . . . . . . 1586 1 151 . 1 1 24 24 PHE HB2 H 1 3.09 0.02 . 2 . . . . . . . . 1586 1 152 . 1 1 24 24 PHE HB3 H 1 3.61 0.02 . 2 . . . . . . . . 1586 1 153 . 1 1 24 24 PHE HD1 H 1 6.99 0.02 . 1 . . . . . . . . 1586 1 154 . 1 1 24 24 PHE HD2 H 1 6.99 0.02 . 1 . . . . . . . . 1586 1 155 . 1 1 24 24 PHE HE1 H 1 7.05 0.02 . 1 . . . . . . . . 1586 1 156 . 1 1 24 24 PHE HE2 H 1 7.05 0.02 . 1 . . . . . . . . 1586 1 157 . 1 1 25 25 PHE H H 1 8.58 0.02 . 1 . . . . . . . . 1586 1 158 . 1 1 25 25 PHE HA H 1 5.05 0.02 . 1 . . . . . . . . 1586 1 159 . 1 1 25 25 PHE HB2 H 1 3.08 0.02 . 1 . . . . . . . . 1586 1 160 . 1 1 25 25 PHE HB3 H 1 3.08 0.02 . 1 . . . . . . . . 1586 1 161 . 1 1 25 25 PHE HD1 H 1 6.98 0.02 . 1 . . . . . . . . 1586 1 162 . 1 1 25 25 PHE HD2 H 1 6.98 0.02 . 1 . . . . . . . . 1586 1 163 . 1 1 25 25 PHE HE1 H 1 7.27 0.02 . 1 . . . . . . . . 1586 1 164 . 1 1 25 25 PHE HE2 H 1 7.27 0.02 . 1 . . . . . . . . 1586 1 165 . 1 1 26 26 TYR H H 1 8.64 0.02 . 1 . . . . . . . . 1586 1 166 . 1 1 26 26 TYR HA H 1 4.8 0.02 . 1 . . . . . . . . 1586 1 167 . 1 1 26 26 TYR HB2 H 1 3.03 0.02 . 2 . . . . . . . . 1586 1 168 . 1 1 26 26 TYR HB3 H 1 3.51 0.02 . 2 . . . . . . . . 1586 1 169 . 1 1 26 26 TYR HD1 H 1 6.97 0.02 . 1 . . . . . . . . 1586 1 170 . 1 1 26 26 TYR HD2 H 1 6.97 0.02 . 1 . . . . . . . . 1586 1 171 . 1 1 26 26 TYR HE1 H 1 6.81 0.02 . 1 . . . . . . . . 1586 1 172 . 1 1 26 26 TYR HE2 H 1 6.81 0.02 . 1 . . . . . . . . 1586 1 173 . 1 1 27 27 THR HA H 1 4.55 0.02 . 1 . . . . . . . . 1586 1 174 . 1 1 27 27 THR HB H 1 4.12 0.02 . 1 . . . . . . . . 1586 1 175 . 1 1 27 27 THR HG21 H 1 1.14 0.02 . 1 . . . . . . . . 1586 1 176 . 1 1 27 27 THR HG22 H 1 1.14 0.02 . 1 . . . . . . . . 1586 1 177 . 1 1 27 27 THR HG23 H 1 1.14 0.02 . 1 . . . . . . . . 1586 1 178 . 1 1 28 28 PRO HA H 1 4.18 0.02 . 1 . . . . . . . . 1586 1 179 . 1 1 28 28 PRO HB2 H 1 1.77 0.02 . 2 . . . . . . . . 1586 1 180 . 1 1 28 28 PRO HB3 H 1 2.04 0.02 . 2 . . . . . . . . 1586 1 181 . 1 1 28 28 PRO HG2 H 1 1.93 0.02 . 2 . . . . . . . . 1586 1 182 . 1 1 28 28 PRO HG3 H 1 2.41 0.02 . 2 . . . . . . . . 1586 1 183 . 1 1 28 28 PRO HD2 H 1 3.46 0.02 . 1 . . . . . . . . 1586 1 184 . 1 1 28 28 PRO HD3 H 1 3.46 0.02 . 1 . . . . . . . . 1586 1 185 . 1 1 29 29 LYS H H 1 8.28 0.02 . 1 . . . . . . . . 1586 1 186 . 1 1 29 29 LYS HA H 1 4.44 0.02 . 1 . . . . . . . . 1586 1 187 . 1 1 29 29 LYS HB2 H 1 1.84 0.02 . 2 . . . . . . . . 1586 1 188 . 1 1 29 29 LYS HB3 H 1 1.91 0.02 . 2 . . . . . . . . 1586 1 189 . 1 1 29 29 LYS HG2 H 1 1.5 0.02 . 1 . . . . . . . . 1586 1 190 . 1 1 29 29 LYS HG3 H 1 1.5 0.02 . 1 . . . . . . . . 1586 1 191 . 1 1 29 29 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 1586 1 192 . 1 1 29 29 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 1586 1 193 . 1 1 29 29 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 1586 1 194 . 1 1 29 29 LYS HE3 H 1 3.01 0.02 . 1 . . . . . . . . 1586 1 195 . 1 1 29 29 LYS HZ1 H 1 7.54 0.02 . 1 . . . . . . . . 1586 1 196 . 1 1 29 29 LYS HZ2 H 1 7.54 0.02 . 1 . . . . . . . . 1586 1 197 . 1 1 29 29 LYS HZ3 H 1 7.54 0.02 . 1 . . . . . . . . 1586 1 198 . 1 1 30 30 THR H H 1 8.17 0.02 . 1 . . . . . . . . 1586 1 199 . 1 1 30 30 THR HA H 1 4.47 0.02 . 1 . . . . . . . . 1586 1 200 . 1 1 30 30 THR HB H 1 4.43 0.02 . 1 . . . . . . . . 1586 1 201 . 1 1 30 30 THR HG21 H 1 1.23 0.02 . 1 . . . . . . . . 1586 1 202 . 1 1 30 30 THR HG22 H 1 1.23 0.02 . 1 . . . . . . . . 1586 1 203 . 1 1 30 30 THR HG23 H 1 1.23 0.02 . 1 . . . . . . . . 1586 1 stop_ save_