################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18924 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 18924 1 2 '2D 1H-1H NOESY' . . . 18924 1 3 '2D DQF-COSY' . . . 18924 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 GLY HA2 H 1 4.036 0.010 . 1 . . . A 1 GLY HA2 . 18924 1 2 . 1 1 1 1 GLY HA3 H 1 4.036 0.010 . 1 . . . A 1 GLY HA3 . 18924 1 3 . 1 1 2 2 ILE H H 1 8.533 0.010 . 1 . . . A 2 ILE H . 18924 1 4 . 1 1 2 2 ILE HA H 1 3.917 0.010 . 1 . . . A 2 ILE HA . 18924 1 5 . 1 1 2 2 ILE HB H 1 1.194 0.010 . 1 . . . A 2 ILE HB . 18924 1 6 . 1 1 2 2 ILE HG12 H 1 0.983 0.010 . 1 . . . A 2 ILE HG12 . 18924 1 7 . 1 1 2 2 ILE HG13 H 1 0.983 0.010 . 1 . . . A 2 ILE HG13 . 18924 1 8 . 1 1 2 2 ILE HG21 H 1 0.798 0.010 . 1 . . . A 2 ILE HG21 . 18924 1 9 . 1 1 2 2 ILE HG22 H 1 0.798 0.010 . 1 . . . A 2 ILE HG22 . 18924 1 10 . 1 1 2 2 ILE HG23 H 1 0.798 0.010 . 1 . . . A 2 ILE HG23 . 18924 1 11 . 1 1 2 2 ILE HD11 H 1 0.688 0.010 . 1 . . . A 2 ILE HD11 . 18924 1 12 . 1 1 2 2 ILE HD12 H 1 0.688 0.010 . 1 . . . A 2 ILE HD12 . 18924 1 13 . 1 1 2 2 ILE HD13 H 1 0.688 0.010 . 1 . . . A 2 ILE HD13 . 18924 1 14 . 1 1 3 3 VAL H H 1 8.123 0.010 . 1 . . . A 3 VAL H . 18924 1 15 . 1 1 3 3 VAL HA H 1 3.652 0.010 . 1 . . . A 3 VAL HA . 18924 1 16 . 1 1 3 3 VAL HB H 1 1.956 0.010 . 1 . . . A 3 VAL HB . 18924 1 17 . 1 1 3 3 VAL HG11 H 1 0.953 0.010 . 1 . . . A 3 VAL HG11 . 18924 1 18 . 1 1 3 3 VAL HG12 H 1 0.953 0.010 . 1 . . . A 3 VAL HG12 . 18924 1 19 . 1 1 3 3 VAL HG13 H 1 0.953 0.010 . 1 . . . A 3 VAL HG13 . 18924 1 20 . 1 1 3 3 VAL HG21 H 1 0.902 0.010 . 1 . . . A 3 VAL HG21 . 18924 1 21 . 1 1 3 3 VAL HG22 H 1 0.902 0.010 . 1 . . . A 3 VAL HG22 . 18924 1 22 . 1 1 3 3 VAL HG23 H 1 0.902 0.010 . 1 . . . A 3 VAL HG23 . 18924 1 23 . 1 1 4 4 GLU H H 1 8.135 0.010 . 1 . . . A 4 GLU H . 18924 1 24 . 1 1 4 4 GLU HA H 1 4.242 0.010 . 1 . . . A 4 GLU HA . 18924 1 25 . 1 1 4 4 GLU HB2 H 1 2.116 0.010 . 1 . . . A 4 GLU HB2 . 18924 1 26 . 1 1 4 4 GLU HB3 H 1 2.116 0.010 . 1 . . . A 4 GLU HB3 . 18924 1 27 . 1 1 4 4 GLU HG2 H 1 2.53 0.010 . 1 . . . A 4 GLU HG2 . 18924 1 28 . 1 1 4 4 GLU HG3 H 1 2.53 0.010 . 1 . . . A 4 GLU HG3 . 18924 1 29 . 1 1 5 5 GLN H H 1 8.277 0.010 . 1 . . . A 5 GLN H . 18924 1 30 . 1 1 5 5 GLN HA H 1 4.095 0.010 . 1 . . . A 5 GLN HA . 18924 1 31 . 1 1 5 5 GLN HB2 H 1 2.148 0.010 . 1 . . . A 5 GLN HB2 . 18924 1 32 . 1 1 5 5 GLN HB3 H 1 2.077 0.010 . 1 . . . A 5 GLN HB3 . 18924 1 33 . 1 1 5 5 GLN HG2 H 1 2.514 0.010 . 1 . . . A 5 GLN HG2 . 18924 1 34 . 1 1 5 5 GLN HG3 H 1 2.437 0.010 . 1 . . . A 5 GLN HG3 . 18924 1 35 . 1 1 5 5 GLN HE21 H 1 6.924 0.010 . 1 . . . A 5 GLN HE21 . 18924 1 36 . 1 1 5 5 GLN HE22 H 1 7.565 0.010 . 1 . . . A 5 GLN HE22 . 18924 1 37 . 1 1 6 6 CYS H H 1 8.307 0.010 . 1 . . . A 6 CYS H . 18924 1 38 . 1 1 6 6 CYS HA H 1 4.945 0.010 . 1 . . . A 6 CYS HA . 18924 1 39 . 1 1 6 6 CYS HB2 H 1 2.916 0.010 . 1 . . . A 6 CYS HB2 . 18924 1 40 . 1 1 6 6 CYS HB3 H 1 3.363 0.010 . 1 . . . A 6 CYS HB3 . 18924 1 41 . 1 1 7 7 CYS H H 1 8.307 0.010 . 1 . . . A 7 CYS H . 18924 1 42 . 1 1 7 7 CYS HA H 1 4.88 0.010 . 1 . . . A 7 CYS HA . 18924 1 43 . 1 1 7 7 CYS HB2 H 1 3.354 0.010 . 1 . . . A 7 CYS HB2 . 18924 1 44 . 1 1 7 7 CYS HB3 H 1 3.811 0.010 . 1 . . . A 7 CYS HB3 . 18924 1 45 . 1 1 8 8 THR H H 1 8.242 0.010 . 1 . . . A 8 THR H . 18924 1 46 . 1 1 8 8 THR HA H 1 4.096 0.010 . 1 . . . A 8 THR HA . 18924 1 47 . 1 1 8 8 THR HB H 1 4.439 0.010 . 1 . . . A 8 THR HB . 18924 1 48 . 1 1 8 8 THR HG21 H 1 1.273 0.010 . 1 . . . A 8 THR HG21 . 18924 1 49 . 1 1 8 8 THR HG22 H 1 1.273 0.010 . 1 . . . A 8 THR HG22 . 18924 1 50 . 1 1 8 8 THR HG23 H 1 1.273 0.010 . 1 . . . A 8 THR HG23 . 18924 1 51 . 1 1 9 9 SER H H 1 7.453 0.010 . 1 . . . A 9 SER H . 18924 1 52 . 1 1 9 9 SER HA H 1 4.787 0.010 . 1 . . . A 9 SER HA . 18924 1 53 . 1 1 9 9 SER HB2 H 1 4.067 0.010 . 1 . . . A 9 SER HB2 . 18924 1 54 . 1 1 9 9 SER HB3 H 1 3.91 0.010 . 1 . . . A 9 SER HB3 . 18924 1 55 . 1 1 10 10 ILE H H 1 7.831 0.010 . 1 . . . A 10 ILE H . 18924 1 56 . 1 1 10 10 ILE HA H 1 4.409 0.010 . 1 . . . A 10 ILE HA . 18924 1 57 . 1 1 10 10 ILE HB H 1 1.583 0.010 . 1 . . . A 10 ILE HB . 18924 1 58 . 1 1 10 10 ILE HG12 H 1 1.117 0.010 . 1 . . . A 10 ILE HG12 . 18924 1 59 . 1 1 10 10 ILE HG13 H 1 0.482 0.010 . 1 . . . A 10 ILE HG13 . 18924 1 60 . 1 1 10 10 ILE HG21 H 1 0.67 0.010 . 1 . . . A 10 ILE HG21 . 18924 1 61 . 1 1 10 10 ILE HG22 H 1 0.67 0.010 . 1 . . . A 10 ILE HG22 . 18924 1 62 . 1 1 10 10 ILE HG23 H 1 0.67 0.010 . 1 . . . A 10 ILE HG23 . 18924 1 63 . 1 1 10 10 ILE HD11 H 1 0.554 0.010 . 1 . . . A 10 ILE HD11 . 18924 1 64 . 1 1 10 10 ILE HD12 H 1 0.554 0.010 . 1 . . . A 10 ILE HD12 . 18924 1 65 . 1 1 10 10 ILE HD13 H 1 0.554 0.010 . 1 . . . A 10 ILE HD13 . 18924 1 66 . 1 1 11 11 CYS H H 1 9.663 0.010 . 1 . . . A 11 CYS H . 18924 1 67 . 1 1 11 11 CYS HA H 1 4.948 0.010 . 1 . . . A 11 CYS HA . 18924 1 68 . 1 1 11 11 CYS HB2 H 1 3.197 0.010 . 1 . . . A 11 CYS HB2 . 18924 1 69 . 1 1 11 11 CYS HB3 H 1 3.353 0.010 . 1 . . . A 11 CYS HB3 . 18924 1 70 . 1 1 12 12 SER H H 1 8.777 0.010 . 1 . . . A 12 SER H . 18924 1 71 . 1 1 12 12 SER HA H 1 4.621 0.010 . 1 . . . A 12 SER HA . 18924 1 72 . 1 1 12 12 SER HB2 H 1 4.334 0.010 . 1 . . . A 12 SER HB2 . 18924 1 73 . 1 1 12 12 SER HB3 H 1 4.025 0.010 . 1 . . . A 12 SER HB3 . 18924 1 74 . 1 1 13 13 LEU H H 1 8.66 0.010 . 1 . . . A 13 LEU H . 18924 1 75 . 1 1 13 13 LEU HA H 1 3.91 0.010 . 1 . . . A 13 LEU HA . 18924 1 76 . 1 1 13 13 LEU HB2 H 1 1.392 0.010 . 1 . . . A 13 LEU HB2 . 18924 1 77 . 1 1 13 13 LEU HB3 H 1 1.392 0.010 . 1 . . . A 13 LEU HB3 . 18924 1 78 . 1 1 13 13 LEU HG H 1 1.459 0.010 . 1 . . . A 13 LEU HG . 18924 1 79 . 1 1 13 13 LEU HD11 H 1 0.825 0.010 . 1 . . . A 13 LEU HD11 . 18924 1 80 . 1 1 13 13 LEU HD12 H 1 0.825 0.010 . 1 . . . A 13 LEU HD12 . 18924 1 81 . 1 1 13 13 LEU HD13 H 1 0.825 0.010 . 1 . . . A 13 LEU HD13 . 18924 1 82 . 1 1 13 13 LEU HD21 H 1 0.769 0.010 . 1 . . . A 13 LEU HD21 . 18924 1 83 . 1 1 13 13 LEU HD22 H 1 0.769 0.010 . 1 . . . A 13 LEU HD22 . 18924 1 84 . 1 1 13 13 LEU HD23 H 1 0.769 0.010 . 1 . . . A 13 LEU HD23 . 18924 1 85 . 1 1 14 14 TYR H H 1 7.523 0.010 . 1 . . . A 14 TYR H . 18924 1 86 . 1 1 14 14 TYR HA H 1 4.19 0.010 . 1 . . . A 14 TYR HA . 18924 1 87 . 1 1 14 14 TYR HB2 H 1 3.01 0.010 . 1 . . . A 14 TYR HB2 . 18924 1 88 . 1 1 14 14 TYR HB3 H 1 2.928 0.010 . 1 . . . A 14 TYR HB3 . 18924 1 89 . 1 1 14 14 TYR HD1 H 1 7.071 0.010 . 1 . . . A 14 TYR HD1 . 18924 1 90 . 1 1 14 14 TYR HD2 H 1 7.071 0.010 . 1 . . . A 14 TYR HD2 . 18924 1 91 . 1 1 14 14 TYR HE1 H 1 6.844 0.010 . 1 . . . A 14 TYR HE1 . 18924 1 92 . 1 1 14 14 TYR HE2 H 1 6.844 0.010 . 1 . . . A 14 TYR HE2 . 18924 1 93 . 1 1 15 15 GLN H H 1 7.593 0.010 . 1 . . . A 15 GLN H . 18924 1 94 . 1 1 15 15 GLN HA H 1 4.006 0.010 . 1 . . . A 15 GLN HA . 18924 1 95 . 1 1 15 15 GLN HB2 H 1 2.411 0.010 . 1 . . . A 15 GLN HB2 . 18924 1 96 . 1 1 15 15 GLN HB3 H 1 2.037 0.010 . 1 . . . A 15 GLN HB3 . 18924 1 97 . 1 1 15 15 GLN HG2 H 1 2.466 0.010 . 1 . . . A 15 GLN HG2 . 18924 1 98 . 1 1 15 15 GLN HG3 H 1 2.423 0.010 . 1 . . . A 15 GLN HG3 . 18924 1 99 . 1 1 15 15 GLN HE21 H 1 7.505 0.010 . 1 . . . A 15 GLN HE21 . 18924 1 100 . 1 1 15 15 GLN HE22 H 1 6.973 0.010 . 1 . . . A 15 GLN HE22 . 18924 1 101 . 1 1 16 16 LEU H H 1 8.168 0.010 . 1 . . . A 16 LEU H . 18924 1 102 . 1 1 16 16 LEU HA H 1 4.207 0.010 . 1 . . . A 16 LEU HA . 18924 1 103 . 1 1 16 16 LEU HB2 H 1 1.922 0.010 . 1 . . . A 16 LEU HB2 . 18924 1 104 . 1 1 16 16 LEU HB3 H 1 1.697 0.010 . 1 . . . A 16 LEU HB3 . 18924 1 105 . 1 1 16 16 LEU HG H 1 1.754 0.010 . 1 . . . A 16 LEU HG . 18924 1 106 . 1 1 16 16 LEU HD11 H 1 0.905 0.010 . 1 . . . A 16 LEU HD11 . 18924 1 107 . 1 1 16 16 LEU HD12 H 1 0.905 0.010 . 1 . . . A 16 LEU HD12 . 18924 1 108 . 1 1 16 16 LEU HD13 H 1 0.905 0.010 . 1 . . . A 16 LEU HD13 . 18924 1 109 . 1 1 16 16 LEU HD21 H 1 0.853 0.010 . 1 . . . A 16 LEU HD21 . 18924 1 110 . 1 1 16 16 LEU HD22 H 1 0.853 0.010 . 1 . . . A 16 LEU HD22 . 18924 1 111 . 1 1 16 16 LEU HD23 H 1 0.853 0.010 . 1 . . . A 16 LEU HD23 . 18924 1 112 . 1 1 17 17 GLU H H 1 8.113 0.010 . 1 . . . A 17 GLU H . 18924 1 113 . 1 1 17 17 GLU HA H 1 4.176 0.010 . 1 . . . A 17 GLU HA . 18924 1 114 . 1 1 17 17 GLU HB2 H 1 2.144 0.010 . 1 . . . A 17 GLU HB2 . 18924 1 115 . 1 1 17 17 GLU HB3 H 1 2.024 0.010 . 1 . . . A 17 GLU HB3 . 18924 1 116 . 1 1 17 17 GLU HG2 H 1 2.611 0.010 . 1 . . . A 17 GLU HG2 . 18924 1 117 . 1 1 17 17 GLU HG3 H 1 2.332 0.010 . 1 . . . A 17 GLU HG3 . 18924 1 118 . 1 1 18 18 ASN H H 1 7.478 0.010 . 1 . . . A 18 ASN H . 18924 1 119 . 1 1 18 18 ASN HA H 1 4.488 0.010 . 1 . . . A 18 ASN HA . 18924 1 120 . 1 1 18 18 ASN HB2 H 1 2.615 0.010 . 1 . . . A 18 ASN HB2 . 18924 1 121 . 1 1 18 18 ASN HB3 H 1 2.538 0.010 . 1 . . . A 18 ASN HB3 . 18924 1 122 . 1 1 18 18 ASN HD21 H 1 6.551 0.010 . 1 . . . A 18 ASN HD21 . 18924 1 123 . 1 1 18 18 ASN HD22 H 1 7.168 0.010 . 1 . . . A 18 ASN HD22 . 18924 1 124 . 1 1 19 19 TYR H H 1 7.928 0.010 . 1 . . . A 19 TYR H . 18924 1 125 . 1 1 19 19 TYR HA H 1 4.535 0.010 . 1 . . . A 19 TYR HA . 18924 1 126 . 1 1 19 19 TYR HB2 H 1 3.038 0.010 . 1 . . . A 19 TYR HB2 . 18924 1 127 . 1 1 19 19 TYR HB3 H 1 3.344 0.010 . 1 . . . A 19 TYR HB3 . 18924 1 128 . 1 1 19 19 TYR HD1 H 1 7.337 0.010 . 1 . . . A 19 TYR HD1 . 18924 1 129 . 1 1 19 19 TYR HD2 H 1 7.337 0.010 . 1 . . . A 19 TYR HD2 . 18924 1 130 . 1 1 19 19 TYR HE1 H 1 6.777 0.010 . 1 . . . A 19 TYR HE1 . 18924 1 131 . 1 1 19 19 TYR HE2 H 1 6.777 0.010 . 1 . . . A 19 TYR HE2 . 18924 1 132 . 1 1 20 20 CYS H H 1 7.521 0.010 . 1 . . . A 20 CYS H . 18924 1 133 . 1 1 20 20 CYS HA H 1 4.697 0.010 . 1 . . . A 20 CYS HA . 18924 1 134 . 1 1 20 20 CYS HB2 H 1 2.891 0.010 . 1 . . . A 20 CYS HB2 . 18924 1 135 . 1 1 20 20 CYS HB3 H 1 3.289 0.010 . 1 . . . A 20 CYS HB3 . 18924 1 136 . 1 1 21 21 ASN H H 1 8.162 0.010 . 1 . . . A 21 ASN H . 18924 1 137 . 1 1 21 21 ASN HA H 1 4.768 0.010 . 1 . . . A 21 ASN HA . 18924 1 138 . 1 1 21 21 ASN HB2 H 1 2.899 0.010 . 1 . . . A 21 ASN HB2 . 18924 1 139 . 1 1 21 21 ASN HB3 H 1 2.842 0.010 . 1 . . . A 21 ASN HB3 . 18924 1 140 . 1 1 21 21 ASN HD21 H 1 6.887 0.010 . 1 . . . A 21 ASN HD21 . 18924 1 141 . 1 1 21 21 ASN HD22 H 1 7.531 0.010 . 1 . . . A 21 ASN HD22 . 18924 1 142 . 2 2 1 1 PHE HA H 1 4.3 0.010 . 1 . . . B 1 PHE HA . 18924 1 143 . 2 2 1 1 PHE HB2 H 1 3.193 0.010 . 1 . . . B 1 PHE QB . 18924 1 144 . 2 2 1 1 PHE HB3 H 1 3.193 0.010 . 1 . . . B 1 PHE QB . 18924 1 145 . 2 2 1 1 PHE HD1 H 1 7.245 0.010 . 1 . . . B 1 PHE QD . 18924 1 146 . 2 2 1 1 PHE HD2 H 1 7.245 0.010 . 1 . . . B 1 PHE QD . 18924 1 147 . 2 2 1 1 PHE HE1 H 1 7.383 0.010 . 1 . . . B 1 PHE QE . 18924 1 148 . 2 2 1 1 PHE HE2 H 1 7.383 0.010 . 1 . . . B 1 PHE QE . 18924 1 149 . 2 2 1 1 PHE HZ H 1 7.318 0.010 . 1 . . . B 1 PHE HZ . 18924 1 150 . 2 2 2 2 VAL H H 1 8.191 0.010 . 1 . . . B 2 VAL H . 18924 1 151 . 2 2 2 2 VAL HA H 1 4.154 0.010 . 1 . . . B 2 VAL HA . 18924 1 152 . 2 2 2 2 VAL HB H 1 1.937 0.010 . 1 . . . B 2 VAL HB . 18924 1 153 . 2 2 2 2 VAL HG11 H 1 0.881 0.010 . 1 . . . B 2 VAL QQG . 18924 1 154 . 2 2 2 2 VAL HG12 H 1 0.881 0.010 . 1 . . . B 2 VAL QQG . 18924 1 155 . 2 2 2 2 VAL HG13 H 1 0.881 0.010 . 1 . . . B 2 VAL QQG . 18924 1 156 . 2 2 2 2 VAL HG21 H 1 0.881 0.010 . 1 . . . B 2 VAL QQG . 18924 1 157 . 2 2 2 2 VAL HG22 H 1 0.881 0.010 . 1 . . . B 2 VAL QQG . 18924 1 158 . 2 2 2 2 VAL HG23 H 1 0.881 0.010 . 1 . . . B 2 VAL QQG . 18924 1 159 . 2 2 3 3 ASN H H 1 8.494 0.010 . 1 . . . B 3 ASN H . 18924 1 160 . 2 2 3 3 ASN HA H 1 4.746 0.010 . 1 . . . B 3 ASN HA . 18924 1 161 . 2 2 3 3 ASN HB2 H 1 2.755 0.010 . 1 . . . B 3 ASN QB . 18924 1 162 . 2 2 3 3 ASN HB3 H 1 2.755 0.010 . 1 . . . B 3 ASN QB . 18924 1 163 . 2 2 3 3 ASN HD21 H 1 6.937 0.010 . 1 . . . B 3 ASN HD21 . 18924 1 164 . 2 2 3 3 ASN HD22 H 1 7.566 0.010 . 1 . . . B 3 ASN HD22 . 18924 1 165 . 2 2 4 4 GLN H H 1 8.446 0.010 . 1 . . . B 4 GLN H . 18924 1 166 . 2 2 4 4 GLN HA H 1 4.508 0.010 . 1 . . . B 4 GLN HA . 18924 1 167 . 2 2 4 4 GLN HB2 H 1 2.136 0.010 . 1 . . . B 4 GLN HB2 . 18924 1 168 . 2 2 4 4 GLN HB3 H 1 1.924 0.010 . 1 . . . B 4 GLN HB3 . 18924 1 169 . 2 2 4 4 GLN HG2 H 1 2.293 0.010 . 1 . . . B 4 GLN HG2 . 18924 1 170 . 2 2 4 4 GLN HG3 H 1 2.197 0.010 . 1 . . . B 4 GLN HG3 . 18924 1 171 . 2 2 4 4 GLN HE21 H 1 7.379 0.010 . 1 . . . B 4 GLN HE21 . 18924 1 172 . 2 2 4 4 GLN HE22 H 1 6.824 0.010 . 1 . . . B 4 GLN HE22 . 18924 1 173 . 2 2 5 5 HIS H H 1 8.638 0.010 . 1 . . . B 5 HIS H . 18924 1 174 . 2 2 5 5 HIS HA H 1 4.485 0.010 . 1 . . . B 5 HIS HA . 18924 1 175 . 2 2 5 5 HIS HB2 H 1 3.283 0.010 . 1 . . . B 5 HIS HB2 . 18924 1 176 . 2 2 5 5 HIS HB3 H 1 3.58 0.010 . 1 . . . B 5 HIS HB3 . 18924 1 177 . 2 2 5 5 HIS HD2 H 1 7.425 0.010 . 1 . . . B 5 HIS HD2 . 18924 1 178 . 2 2 5 5 HIS HE1 H 1 8.603 0.010 . 1 . . . B 5 HIS HE1 . 18924 1 179 . 2 2 6 6 LEU H H 1 8.986 0.010 . 1 . . . B 6 LEU H . 18924 1 180 . 2 2 6 6 LEU HA H 1 4.545 0.010 . 1 . . . B 6 LEU HA . 18924 1 181 . 2 2 6 6 LEU HB2 H 1 1.787 0.010 . 1 . . . B 6 LEU HB2 . 18924 1 182 . 2 2 6 6 LEU HB3 H 1 0.973 0.010 . 1 . . . B 6 LEU HB3 . 18924 1 183 . 2 2 6 6 LEU HG H 1 1.633 0.010 . 1 . . . B 6 LEU HG . 18924 1 184 . 2 2 6 6 LEU HD11 H 1 0.917 0.010 . 1 . . . B 6 LEU QD1 . 18924 1 185 . 2 2 6 6 LEU HD12 H 1 0.917 0.010 . 1 . . . B 6 LEU QD1 . 18924 1 186 . 2 2 6 6 LEU HD13 H 1 0.917 0.010 . 1 . . . B 6 LEU QD1 . 18924 1 187 . 2 2 6 6 LEU HD21 H 1 0.763 0.010 . 1 . . . B 6 LEU QD2 . 18924 1 188 . 2 2 6 6 LEU HD22 H 1 0.763 0.010 . 1 . . . B 6 LEU QD2 . 18924 1 189 . 2 2 6 6 LEU HD23 H 1 0.763 0.010 . 1 . . . B 6 LEU QD2 . 18924 1 190 . 2 2 7 7 CYS H H 1 8.346 0.010 . 1 . . . B 7 CYS H . 18924 1 191 . 2 2 7 7 CYS HA H 1 5.005 0.010 . 1 . . . B 7 CYS HA . 18924 1 192 . 2 2 7 7 CYS HB2 H 1 3.254 0.010 . 1 . . . B 7 CYS HB2 . 18924 1 193 . 2 2 7 7 CYS HB3 H 1 2.983 0.010 . 1 . . . B 7 CYS HB3 . 18924 1 194 . 2 2 8 8 GLY H H 1 9.271 0.010 . 1 . . . B 8 GLY H . 18924 1 195 . 2 2 8 8 GLY HA2 H 1 4.031 0.010 . 1 . . . B 8 GLY HA2 . 18924 1 196 . 2 2 8 8 GLY HA3 H 1 3.874 0.010 . 1 . . . B 8 GLY HA3 . 18924 1 197 . 2 2 9 9 SER H H 1 9.081 0.010 . 1 . . . B 9 SER H . 18924 1 198 . 2 2 9 9 SER HA H 1 4.155 0.010 . 1 . . . B 9 SER HA . 18924 1 199 . 2 2 9 9 SER HB2 H 1 3.92 0.010 . 1 . . . B 9 SER QB . 18924 1 200 . 2 2 9 9 SER HB3 H 1 3.92 0.010 . 1 . . . B 9 SER QB . 18924 1 201 . 2 2 10 10 HIS H H 1 8.049 0.010 . 1 . . . B 10 HIS H . 18924 1 202 . 2 2 10 10 HIS HA H 1 4.559 0.010 . 1 . . . B 10 HIS HA . 18924 1 203 . 2 2 10 10 HIS HB2 H 1 3.619 0.010 . 1 . . . B 10 HIS HB2 . 18924 1 204 . 2 2 10 10 HIS HB3 H 1 3.343 0.010 . 1 . . . B 10 HIS HB3 . 18924 1 205 . 2 2 10 10 HIS HD2 H 1 7.498 0.010 . 1 . . . B 10 HIS HD2 . 18924 1 206 . 2 2 10 10 HIS HE1 H 1 8.715 0.010 . 1 . . . B 10 HIS HE1 . 18924 1 207 . 2 2 11 11 LEU H H 1 7.151 0.010 . 1 . . . B 11 LEU H . 18924 1 208 . 2 2 11 11 LEU HA H 1 4.075 0.010 . 1 . . . B 11 LEU HA . 18924 1 209 . 2 2 11 11 LEU HB2 H 1 1.95 0.010 . 1 . . . B 11 LEU HB2 . 18924 1 210 . 2 2 11 11 LEU HB3 H 1 1.3 0.010 . 1 . . . B 11 LEU HB3 . 18924 1 211 . 2 2 11 11 LEU HG H 1 1.421 0.010 . 1 . . . B 11 LEU HG . 18924 1 212 . 2 2 11 11 LEU HD11 H 1 0.862 0.010 . 1 . . . B 11 LEU QD1 . 18924 1 213 . 2 2 11 11 LEU HD12 H 1 0.862 0.010 . 1 . . . B 11 LEU QD1 . 18924 1 214 . 2 2 11 11 LEU HD13 H 1 0.862 0.010 . 1 . . . B 11 LEU QD1 . 18924 1 215 . 2 2 11 11 LEU HD21 H 1 0.806 0.010 . 1 . . . B 11 LEU QD2 . 18924 1 216 . 2 2 11 11 LEU HD22 H 1 0.806 0.010 . 1 . . . B 11 LEU QD2 . 18924 1 217 . 2 2 11 11 LEU HD23 H 1 0.806 0.010 . 1 . . . B 11 LEU QD2 . 18924 1 218 . 2 2 12 12 VAL H H 1 7.272 0.010 . 1 . . . B 12 VAL H . 18924 1 219 . 2 2 12 12 VAL HA H 1 3.469 0.010 . 1 . . . B 12 VAL HA . 18924 1 220 . 2 2 12 12 VAL HB H 1 2.079 0.010 . 1 . . . B 12 VAL HB . 18924 1 221 . 2 2 12 12 VAL HG11 H 1 0.99 0.010 . 1 . . . B 12 VAL QG1 . 18924 1 222 . 2 2 12 12 VAL HG12 H 1 0.99 0.010 . 1 . . . B 12 VAL QG1 . 18924 1 223 . 2 2 12 12 VAL HG13 H 1 0.99 0.010 . 1 . . . B 12 VAL QG1 . 18924 1 224 . 2 2 12 12 VAL HG21 H 1 0.914 0.010 . 1 . . . B 12 VAL QG2 . 18924 1 225 . 2 2 12 12 VAL HG22 H 1 0.914 0.010 . 1 . . . B 12 VAL QG2 . 18924 1 226 . 2 2 12 12 VAL HG23 H 1 0.914 0.010 . 1 . . . B 12 VAL QG2 . 18924 1 227 . 2 2 13 13 GLU H H 1 7.998 0.010 . 1 . . . B 13 GLU H . 18924 1 228 . 2 2 13 13 GLU HA H 1 4.13 0.010 . 1 . . . B 13 GLU HA . 18924 1 229 . 2 2 13 13 GLU HB2 H 1 2.2 0.010 . 1 . . . B 13 GLU HB2 . 18924 1 230 . 2 2 13 13 GLU HB3 H 1 2.126 0.010 . 1 . . . B 13 GLU HB3 . 18924 1 231 . 2 2 13 13 GLU HG2 H 1 2.57 0.010 . 1 . . . B 13 GLU QG . 18924 1 232 . 2 2 13 13 GLU HG3 H 1 2.57 0.010 . 1 . . . B 13 GLU QG . 18924 1 233 . 2 2 14 14 ALA H H 1 7.862 0.010 . 1 . . . B 14 ALA H . 18924 1 234 . 2 2 14 14 ALA HA H 1 4.145 0.010 . 1 . . . B 14 ALA HA . 18924 1 235 . 2 2 14 14 ALA HB1 H 1 1.543 0.010 . 1 . . . B 14 ALA QB . 18924 1 236 . 2 2 14 14 ALA HB2 H 1 1.543 0.010 . 1 . . . B 14 ALA QB . 18924 1 237 . 2 2 14 14 ALA HB3 H 1 1.543 0.010 . 1 . . . B 14 ALA QB . 18924 1 238 . 2 2 15 15 LEU H H 1 8.197 0.010 . 1 . . . B 15 LEU H . 18924 1 239 . 2 2 15 15 LEU HA H 1 4.045 0.010 . 1 . . . B 15 LEU HA . 18924 1 240 . 2 2 15 15 LEU HB2 H 1 1.735 0.010 . 1 . . . B 15 LEU HB2 . 18924 1 241 . 2 2 15 15 LEU HB3 H 1 1.491 0.010 . 1 . . . B 15 LEU HB3 . 18924 1 242 . 2 2 15 15 LEU HG H 1 1.677 0.010 . 1 . . . B 15 LEU HG . 18924 1 243 . 2 2 15 15 LEU HD11 H 1 0.803 0.010 . 1 . . . B 15 LEU QD1 . 18924 1 244 . 2 2 15 15 LEU HD12 H 1 0.803 0.010 . 1 . . . B 15 LEU QD1 . 18924 1 245 . 2 2 15 15 LEU HD13 H 1 0.803 0.010 . 1 . . . B 15 LEU QD1 . 18924 1 246 . 2 2 15 15 LEU HD21 H 1 0.75 0.010 . 1 . . . B 15 LEU QD2 . 18924 1 247 . 2 2 15 15 LEU HD22 H 1 0.75 0.010 . 1 . . . B 15 LEU QD2 . 18924 1 248 . 2 2 15 15 LEU HD23 H 1 0.75 0.010 . 1 . . . B 15 LEU QD2 . 18924 1 249 . 2 2 16 16 TYR H H 1 8.143 0.010 . 1 . . . B 16 TYR H . 18924 1 250 . 2 2 16 16 TYR HA H 1 4.184 0.010 . 1 . . . B 16 TYR HA . 18924 1 251 . 2 2 16 16 TYR HB2 H 1 3.151 0.010 . 1 . . . B 16 TYR QB . 18924 1 252 . 2 2 16 16 TYR HB3 H 1 3.151 0.010 . 1 . . . B 16 TYR QB . 18924 1 253 . 2 2 16 16 TYR HD1 H 1 7.093 0.010 . 1 . . . B 16 TYR QD . 18924 1 254 . 2 2 16 16 TYR HD2 H 1 7.093 0.010 . 1 . . . B 16 TYR QD . 18924 1 255 . 2 2 16 16 TYR HE1 H 1 6.761 0.010 . 1 . . . B 16 TYR QE . 18924 1 256 . 2 2 16 16 TYR HE2 H 1 6.761 0.010 . 1 . . . B 16 TYR QE . 18924 1 257 . 2 2 17 17 LEU H H 1 7.915 0.010 . 1 . . . B 17 LEU H . 18924 1 258 . 2 2 17 17 LEU HA H 1 4.124 0.010 . 1 . . . B 17 LEU HA . 18924 1 259 . 2 2 17 17 LEU HB2 H 1 1.944 0.010 . 1 . . . B 17 LEU HB2 . 18924 1 260 . 2 2 17 17 LEU HB3 H 1 1.693 0.010 . 1 . . . B 17 LEU HB3 . 18924 1 261 . 2 2 17 17 LEU HG H 1 1.844 0.010 . 1 . . . B 17 LEU HG . 18924 1 262 . 2 2 17 17 LEU HD11 H 1 0.943 0.010 . 1 . . . B 17 LEU QQD . 18924 1 263 . 2 2 17 17 LEU HD12 H 1 0.943 0.010 . 1 . . . B 17 LEU QQD . 18924 1 264 . 2 2 17 17 LEU HD13 H 1 0.943 0.010 . 1 . . . B 17 LEU QQD . 18924 1 265 . 2 2 17 17 LEU HD21 H 1 0.943 0.010 . 1 . . . B 17 LEU QQD . 18924 1 266 . 2 2 17 17 LEU HD22 H 1 0.943 0.010 . 1 . . . B 17 LEU QQD . 18924 1 267 . 2 2 17 17 LEU HD23 H 1 0.943 0.010 . 1 . . . B 17 LEU QQD . 18924 1 268 . 2 2 18 18 VAL H H 1 8.526 0.010 . 1 . . . B 18 VAL H . 18924 1 269 . 2 2 18 18 VAL HA H 1 3.932 0.010 . 1 . . . B 18 VAL HA . 18924 1 270 . 2 2 18 18 VAL HB H 1 2.185 0.010 . 1 . . . B 18 VAL HB . 18924 1 271 . 2 2 18 18 VAL HG11 H 1 1.069 0.010 . 1 . . . B 18 VAL QG1 . 18924 1 272 . 2 2 18 18 VAL HG12 H 1 1.069 0.010 . 1 . . . B 18 VAL QG1 . 18924 1 273 . 2 2 18 18 VAL HG13 H 1 1.069 0.010 . 1 . . . B 18 VAL QG1 . 18924 1 274 . 2 2 18 18 VAL HG21 H 1 0.942 0.010 . 1 . . . B 18 VAL QG2 . 18924 1 275 . 2 2 18 18 VAL HG22 H 1 0.942 0.010 . 1 . . . B 18 VAL QG2 . 18924 1 276 . 2 2 18 18 VAL HG23 H 1 0.942 0.010 . 1 . . . B 18 VAL QG2 . 18924 1 277 . 2 2 19 19 CYS H H 1 8.748 0.010 . 1 . . . B 19 CYS H . 18924 1 278 . 2 2 19 19 CYS HA H 1 4.743 0.010 . 1 . . . B 19 CYS HA . 18924 1 279 . 2 2 19 19 CYS HB2 H 1 3.241 0.010 . 1 . . . B 19 CYS HB2 . 18924 1 280 . 2 2 19 19 CYS HB3 H 1 2.928 0.010 . 1 . . . B 19 CYS HB3 . 18924 1 281 . 2 2 20 20 GLY H H 1 7.825 0.010 . 1 . . . B 50 GLY H . 18924 1 282 . 2 2 20 20 GLY HA2 H 1 3.907 0.010 . 1 . . . B 50 GLY QA . 18924 1 283 . 2 2 20 20 GLY HA3 H 1 3.907 0.010 . 1 . . . B 50 GLY QA . 18924 1 284 . 2 2 21 21 GLU H H 1 8.024 0.010 . 1 . . . B 51 GLU H . 18924 1 285 . 2 2 21 21 GLU HA H 1 4.319 0.010 . 1 . . . B 51 GLU HA . 18924 1 286 . 2 2 21 21 GLU HB2 H 1 2.162 0.010 . 1 . . . B 51 GLU HB2 . 18924 1 287 . 2 2 21 21 GLU HB3 H 1 2.086 0.010 . 1 . . . B 51 GLU HB3 . 18924 1 288 . 2 2 21 21 GLU HG2 H 1 2.564 0.010 . 1 . . . B 51 GLU HG2 . 18924 1 289 . 2 2 21 21 GLU HG3 H 1 2.474 0.010 . 1 . . . B 51 GLU HG3 . 18924 1 290 . 2 2 22 22 ARG H H 1 8.024 0.010 . 1 . . . B 52 ARG H . 18924 1 291 . 2 2 22 22 ARG HA H 1 4.29 0.010 . 1 . . . B 52 ARG HA . 18924 1 292 . 2 2 22 22 ARG HB2 H 1 1.955 0.010 . 1 . . . B 52 ARG HB2 . 18924 1 293 . 2 2 22 22 ARG HB3 H 1 1.867 0.010 . 1 . . . B 52 ARG HB3 . 18924 1 294 . 2 2 22 22 ARG HG2 H 1 1.738 0.010 . 1 . . . B 52 ARG HG2 . 18924 1 295 . 2 2 22 22 ARG HG3 H 1 1.671 0.010 . 1 . . . B 52 ARG HG3 . 18924 1 296 . 2 2 22 22 ARG HD2 H 1 3.216 0.010 . 1 . . . B 52 ARG QD . 18924 1 297 . 2 2 22 22 ARG HD3 H 1 3.216 0.010 . 1 . . . B 52 ARG QD . 18924 1 298 . 2 2 22 22 ARG HE H 1 7.24 0.010 . 1 . . . B 52 ARG HE . 18924 1 299 . 2 2 23 23 GLY H H 1 8.114 0.010 . 1 . . . B 53 GLY H . 18924 1 300 . 2 2 23 23 GLY HA2 H 1 3.931 0.010 . 1 . . . B 53 GLY QA . 18924 1 301 . 2 2 23 23 GLY HA3 H 1 3.931 0.010 . 1 . . . B 53 GLY QA . 18924 1 302 . 2 2 24 24 HIS H H 1 8.025 0.010 . 1 . . . B 54 DHI H . 18924 1 303 . 2 2 24 24 HIS HA H 1 4.62 0.010 . 1 . . . B 54 DHI HA . 18924 1 304 . 2 2 24 24 HIS HB2 H 1 3.13 0.010 . 1 . . . B 54 DHI HB2 . 18924 1 305 . 2 2 24 24 HIS HB3 H 1 3.006 0.010 . 1 . . . B 54 DHI HB3 . 18924 1 306 . 2 2 24 24 HIS HD2 H 1 7.11 0.010 . 1 . . . B 54 DHI HD2 . 18924 1 307 . 2 2 24 24 HIS HE1 H 1 8.573 0.010 . 1 . . . B 54 DHI HE1 . 18924 1 308 . 2 2 25 25 PHE H H 1 8.204 0.010 . 1 . . . B 55 PHE H . 18924 1 309 . 2 2 25 25 PHE HA H 1 4.658 0.010 . 1 . . . B 55 PHE HA . 18924 1 310 . 2 2 25 25 PHE HB2 H 1 2.877 0.010 . 1 . . . B 55 PHE HB2 . 18924 1 311 . 2 2 25 25 PHE HB3 H 1 3.098 0.010 . 1 . . . B 55 PHE HB3 . 18924 1 312 . 2 2 25 25 PHE HD1 H 1 7.161 0.010 . 1 . . . B 55 PHE QD . 18924 1 313 . 2 2 25 25 PHE HD2 H 1 7.161 0.010 . 1 . . . B 55 PHE QD . 18924 1 314 . 2 2 25 25 PHE HE1 H 1 7.284 0.010 . 1 . . . B 55 PHE QE . 18924 1 315 . 2 2 25 25 PHE HE2 H 1 7.284 0.010 . 1 . . . B 55 PHE QE . 18924 1 316 . 2 2 25 25 PHE HZ H 1 7.246 0.010 . 1 . . . B 55 PHE HZ . 18924 1 317 . 2 2 26 26 TYR H H 1 8.117 0.010 . 1 . . . B 56 TYR H . 18924 1 318 . 2 2 26 26 TYR HA H 1 4.641 0.010 . 1 . . . B 56 TYR HA . 18924 1 319 . 2 2 26 26 TYR HB2 H 1 2.958 0.010 . 1 . . . B 56 TYR QB . 18924 1 320 . 2 2 26 26 TYR HB3 H 1 2.958 0.010 . 1 . . . B 56 TYR QB . 18924 1 321 . 2 2 26 26 TYR HD1 H 1 7.071 0.010 . 1 . . . B 56 TYR QD . 18924 1 322 . 2 2 26 26 TYR HD2 H 1 7.071 0.010 . 1 . . . B 56 TYR QD . 18924 1 323 . 2 2 26 26 TYR HE1 H 1 6.779 0.010 . 1 . . . B 56 TYR QE . 18924 1 324 . 2 2 26 26 TYR HE2 H 1 6.779 0.010 . 1 . . . B 56 TYR QE . 18924 1 325 . 2 2 27 27 THR H H 1 7.943 0.010 . 1 . . . B 57 THR H . 18924 1 326 . 2 2 27 27 THR HA H 1 4.559 0.010 . 1 . . . B 57 THR HA . 18924 1 327 . 2 2 27 27 THR HB H 1 4.082 0.010 . 1 . . . B 57 THR HB . 18924 1 328 . 2 2 27 27 THR HG21 H 1 1.216 0.010 . 1 . . . B 57 THR QG2 . 18924 1 329 . 2 2 27 27 THR HG22 H 1 1.216 0.010 . 1 . . . B 57 THR QG2 . 18924 1 330 . 2 2 27 27 THR HG23 H 1 1.216 0.010 . 1 . . . B 57 THR QG2 . 18924 1 331 . 2 2 28 28 PRO HA H 1 4.399 0.010 . 1 . . . B 58 PRO HA . 18924 1 332 . 2 2 28 28 PRO HB2 H 1 2.314 0.010 . 1 . . . B 58 PRO HB2 . 18924 1 333 . 2 2 28 28 PRO HB3 H 1 1.96 0.010 . 1 . . . B 58 PRO HB3 . 18924 1 334 . 2 2 28 28 PRO HG2 H 1 2.031 0.010 . 1 . . . B 58 PRO HG2 . 18924 1 335 . 2 2 28 28 PRO HG3 H 1 1.957 0.010 . 1 . . . B 58 PRO HG3 . 18924 1 336 . 2 2 28 28 PRO HD2 H 1 3.668 0.010 . 1 . . . B 58 PRO QD . 18924 1 337 . 2 2 28 28 PRO HD3 H 1 3.668 0.010 . 1 . . . B 58 PRO QD . 18924 1 338 . 2 2 29 29 LYS H H 1 8.295 0.010 . 1 . . . B 59 LYS H . 18924 1 339 . 2 2 29 29 LYS HA H 1 4.422 0.010 . 1 . . . B 59 LYS HA . 18924 1 340 . 2 2 29 29 LYS HB2 H 1 1.9 0.010 . 1 . . . B 59 LYS HB2 . 18924 1 341 . 2 2 29 29 LYS HB3 H 1 1.803 0.010 . 1 . . . B 59 LYS HB3 . 18924 1 342 . 2 2 29 29 LYS HG2 H 1 1.506 0.010 . 1 . . . B 59 LYS QG . 18924 1 343 . 2 2 29 29 LYS HG3 H 1 1.506 0.010 . 1 . . . B 59 LYS QG . 18924 1 344 . 2 2 29 29 LYS HD2 H 1 1.723 0.010 . 1 . . . B 59 LYS QD . 18924 1 345 . 2 2 29 29 LYS HD3 H 1 1.723 0.010 . 1 . . . B 59 LYS QD . 18924 1 346 . 2 2 29 29 LYS HE2 H 1 3.038 0.010 . 1 . . . B 59 LYS QE . 18924 1 347 . 2 2 29 29 LYS HE3 H 1 3.038 0.010 . 1 . . . B 59 LYS QE . 18924 1 348 . 2 2 30 30 THR H H 1 8.076 0.010 . 1 . . . B 30 THR H . 18924 1 349 . 2 2 30 30 THR HA H 1 4.489 0.010 . 1 . . . B 30 THR HA . 18924 1 350 . 2 2 30 30 THR HB H 1 4.42 0.010 . 1 . . . B 30 THR HB . 18924 1 351 . 2 2 30 30 THR HG21 H 1 1.199 0.010 . 1 . . . B 30 THR QG2 . 18924 1 352 . 2 2 30 30 THR HG22 H 1 1.199 0.010 . 1 . . . B 30 THR QG2 . 18924 1 353 . 2 2 30 30 THR HG23 H 1 1.199 0.010 . 1 . . . B 30 THR QG2 . 18924 1 stop_ save_