################################### # 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 17252 _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 NOESY' . . . 17252 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 2 2 GLN HA H 1 4.458 0.004 . 1 . . . . 2 GLN HA . 17252 1 2 . 1 1 2 2 GLN HB2 H 1 2.052 0.020 . 2 . . . . 2 GLN HB2 . 17252 1 3 . 1 1 2 2 GLN HB3 H 1 1.978 0.020 . 2 . . . . 2 GLN HB3 . 17252 1 4 . 1 1 2 2 GLN HG2 H 1 2.052 0.020 . 2 . . . . 2 GLN HG2 . 17252 1 5 . 1 1 2 2 GLN HG3 H 1 2.335 0.020 . 2 . . . . 2 GLN HG3 . 17252 1 6 . 1 1 3 3 MET H H 1 8.481 0.002 . 1 . . . . 3 MET H . 17252 1 7 . 1 1 3 3 MET HA H 1 4.381 0.001 . 1 . . . . 3 MET HA . 17252 1 8 . 1 1 4 4 ALA H H 1 8.239 0.020 . 1 . . . . 4 ALA H . 17252 1 9 . 1 1 4 4 ALA HA H 1 3.858 0.020 . 1 . . . . 4 ALA HA . 17252 1 10 . 1 1 5 5 GLY H H 1 8.620 0.010 . 1 . . . . 5 GLY H . 17252 1 11 . 1 1 5 5 GLY HA2 H 1 4.306 0.020 . 2 . . . . 5 GLY HA2 . 17252 1 12 . 1 1 5 5 GLY HA3 H 1 4.242 0.020 . 2 . . . . 5 GLY HA3 . 17252 1 13 . 1 1 6 6 GLN H H 1 7.962 0.020 . 1 . . . . 6 GLN H . 17252 1 14 . 1 1 6 6 GLN HA H 1 4.286 0.020 . 1 . . . . 6 GLN HA . 17252 1 15 . 1 1 6 6 GLN HB2 H 1 2.060 0.020 . 2 . . . . 6 GLN HB2 . 17252 1 16 . 1 1 6 6 GLN HB3 H 1 1.967 0.020 . 2 . . . . 6 GLN HB3 . 17252 1 17 . 1 1 6 6 GLN HG2 H 1 2.195 0.020 . 1 . . . . 6 GLN HG2 . 17252 1 18 . 1 1 6 6 GLN HG3 H 1 2.195 0.020 . 1 . . . . 6 GLN HG3 . 17252 1 19 . 1 1 7 7 CYS H H 1 8.199 0.003 . 1 . . . . 7 CYS H . 17252 1 20 . 1 1 7 7 CYS HA H 1 4.978 0.020 . 1 . . . . 7 CYS HA . 17252 1 21 . 1 1 7 7 CYS HB2 H 1 3.527 0.001 . 2 . . . . 7 CYS HB2 . 17252 1 22 . 1 1 7 7 CYS HB3 H 1 2.596 0.002 . 2 . . . . 7 CYS HB3 . 17252 1 23 . 1 1 8 8 SER H H 1 8.715 0.002 . 1 . . . . 8 SER H . 17252 1 24 . 1 1 8 8 SER HA H 1 4.488 0.001 . 1 . . . . 8 SER HA . 17252 1 25 . 1 1 8 8 SER HB2 H 1 3.845 0.002 . 2 . . . . 8 SER HB2 . 17252 1 26 . 1 1 8 8 SER HB3 H 1 3.780 0.003 . 2 . . . . 8 SER HB3 . 17252 1 27 . 1 1 9 9 GLN H H 1 8.540 0.001 . 1 . . . . 9 GLN H . 17252 1 28 . 1 1 9 9 GLN HA H 1 4.112 0.001 . 1 . . . . 9 GLN HA . 17252 1 29 . 1 1 10 10 ASN HA H 1 4.374 0.020 . 1 . . . . 10 ASN HA . 17252 1 30 . 1 1 11 11 GLU H H 1 7.569 0.001 . 1 . . . . 11 GLU H . 17252 1 31 . 1 1 11 11 GLU HA H 1 5.007 0.002 . 1 . . . . 11 GLU HA . 17252 1 32 . 1 1 11 11 GLU HB2 H 1 2.017 0.007 . 1 . . . . 11 GLU HB2 . 17252 1 33 . 1 1 11 11 GLU HB3 H 1 2.017 0.007 . 1 . . . . 11 GLU HB3 . 17252 1 34 . 1 1 11 11 GLU HG2 H 1 1.693 0.003 . 2 . . . . 11 GLU HG2 . 17252 1 35 . 1 1 11 11 GLU HG3 H 1 1.501 0.020 . 2 . . . . 11 GLU HG3 . 17252 1 36 . 1 1 12 12 TYR H H 1 8.980 0.003 . 1 . . . . 12 TYR H . 17252 1 37 . 1 1 12 12 TYR HA H 1 4.886 0.002 . 1 . . . . 12 TYR HA . 17252 1 38 . 1 1 12 12 TYR HB2 H 1 2.921 0.020 . 2 . . . . 12 TYR HB2 . 17252 1 39 . 1 1 12 12 TYR HB3 H 1 2.742 0.020 . 2 . . . . 12 TYR HB3 . 17252 1 40 . 1 1 13 13 PHE H H 1 8.881 0.001 . 1 . . . . 13 PHE H . 17252 1 41 . 1 1 13 13 PHE HA H 1 4.456 0.001 . 1 . . . . 13 PHE HA . 17252 1 42 . 1 1 13 13 PHE HB2 H 1 2.931 0.002 . 1 . . . . 13 PHE HB2 . 17252 1 43 . 1 1 13 13 PHE HB3 H 1 2.931 0.002 . 1 . . . . 13 PHE HB3 . 17252 1 44 . 1 1 14 14 ASP H H 1 8.171 0.003 . 1 . . . . 14 ASP H . 17252 1 45 . 1 1 14 14 ASP HA H 1 4.659 0.001 . 1 . . . . 14 ASP HA . 17252 1 46 . 1 1 14 14 ASP HB2 H 1 2.610 0.020 . 1 . . . . 14 ASP HB2 . 17252 1 47 . 1 1 14 14 ASP HB3 H 1 2.610 0.020 . 1 . . . . 14 ASP HB3 . 17252 1 48 . 1 1 15 15 SER H H 1 8.787 0.006 . 1 . . . . 15 SER H . 17252 1 49 . 1 1 15 15 SER HA H 1 3.818 0.020 . 1 . . . . 15 SER HA . 17252 1 50 . 1 1 15 15 SER HB2 H 1 3.995 0.020 . 2 . . . . 15 SER HB2 . 17252 1 51 . 1 1 15 15 SER HB3 H 1 3.938 0.020 . 2 . . . . 15 SER HB3 . 17252 1 52 . 1 1 16 16 LEU H H 1 8.069 0.001 . 1 . . . . 16 LEU H . 17252 1 53 . 1 1 16 16 LEU HA H 1 4.213 0.003 . 1 . . . . 16 LEU HA . 17252 1 54 . 1 1 17 17 LEU H H 1 7.921 0.020 . 1 . . . . 17 LEU H . 17252 1 55 . 1 1 17 17 LEU HA H 1 4.051 0.001 . 1 . . . . 17 LEU HA . 17252 1 56 . 1 1 17 17 LEU HG H 1 0.727 0.004 . 1 . . . . 17 LEU HG . 17252 1 57 . 1 1 18 18 HIS H H 1 7.901 0.020 . 1 . . . . 18 HIS H . 17252 1 58 . 1 1 18 18 HIS HB2 H 1 3.614 0.020 . 2 . . . . 18 HIS HB2 . 17252 1 59 . 1 1 18 18 HIS HB3 H 1 3.393 0.001 . 2 . . . . 18 HIS HB3 . 17252 1 60 . 1 1 19 19 ALA H H 1 6.774 0.020 . 1 . . . . 19 ALA H . 17252 1 61 . 1 1 19 19 ALA HA H 1 4.579 0.001 . 1 . . . . 19 ALA HA . 17252 1 62 . 1 1 19 19 ALA HB1 H 1 1.067 0.001 . 1 . . . . 19 ALA MB . 17252 1 63 . 1 1 19 19 ALA HB2 H 1 1.067 0.001 . 1 . . . . 19 ALA MB . 17252 1 64 . 1 1 19 19 ALA HB3 H 1 1.067 0.001 . 1 . . . . 19 ALA MB . 17252 1 65 . 1 1 20 20 CYS H H 1 8.617 0.001 . 1 . . . . 20 CYS H . 17252 1 66 . 1 1 20 20 CYS HB2 H 1 2.816 0.020 . 2 . . . . 20 CYS HB2 . 17252 1 67 . 1 1 20 20 CYS HB3 H 1 2.727 0.020 . 2 . . . . 20 CYS HB3 . 17252 1 68 . 1 1 21 21 ILE H H 1 9.082 0.002 . 1 . . . . 21 ILE H . 17252 1 69 . 1 1 21 21 ILE HA H 1 4.553 0.001 . 1 . . . . 21 ILE HA . 17252 1 70 . 1 1 22 22 PRO HD2 H 1 3.872 0.020 . 2 . . . . 22 PRO HD2 . 17252 1 71 . 1 1 22 22 PRO HD3 H 1 3.629 0.020 . 2 . . . . 22 PRO HD3 . 17252 1 72 . 1 1 23 23 CYS H H 1 8.313 0.015 . 1 . . . . 23 CYS H . 17252 1 73 . 1 1 23 23 CYS HA H 1 4.675 0.002 . 1 . . . . 23 CYS HA . 17252 1 74 . 1 1 23 23 CYS HB2 H 1 2.816 0.020 . 1 . . . . 23 CYS HB2 . 17252 1 75 . 1 1 23 23 CYS HB3 H 1 2.816 0.020 . 1 . . . . 23 CYS HB3 . 17252 1 76 . 1 1 24 24 GLN H H 1 9.018 0.001 . 1 . . . . 24 GLN H . 17252 1 77 . 1 1 24 24 GLN HA H 1 4.309 0.004 . 1 . . . . 24 GLN HA . 17252 1 78 . 1 1 24 24 GLN HB2 H 1 2.330 0.020 . 2 . . . . 24 GLN HB2 . 17252 1 79 . 1 1 24 24 GLN HB3 H 1 1.995 0.020 . 2 . . . . 24 GLN HB3 . 17252 1 80 . 1 1 24 24 GLN HG2 H 1 2.466 0.002 . 1 . . . . 24 GLN HG2 . 17252 1 81 . 1 1 24 24 GLN HG3 H 1 2.466 0.002 . 1 . . . . 24 GLN HG3 . 17252 1 82 . 1 1 25 25 LEU H H 1 7.478 0.001 . 1 . . . . 25 LEU H . 17252 1 83 . 1 1 25 25 LEU HA H 1 4.248 0.020 . 1 . . . . 25 LEU HA . 17252 1 84 . 1 1 26 26 ARG H H 1 8.298 0.001 . 1 . . . . 26 ARG H . 17252 1 85 . 1 1 27 27 CYS H H 1 7.530 0.004 . 1 . . . . 27 CYS H . 17252 1 86 . 1 1 27 27 CYS HA H 1 4.550 0.020 . 1 . . . . 27 CYS HA . 17252 1 87 . 1 1 28 28 SER H H 1 8.337 0.002 . 1 . . . . 28 SER H . 17252 1 88 . 1 1 28 28 SER HA H 1 4.466 0.023 . 1 . . . . 28 SER HA . 17252 1 89 . 1 1 28 28 SER HB2 H 1 4.003 0.020 . 2 . . . . 28 SER HB2 . 17252 1 90 . 1 1 29 29 SER H H 1 7.532 0.002 . 1 . . . . 29 SER H . 17252 1 91 . 1 1 29 29 SER HA H 1 4.409 0.020 . 1 . . . . 29 SER HA . 17252 1 92 . 1 1 29 29 SER HB2 H 1 3.938 0.020 . 2 . . . . 29 SER HB2 . 17252 1 93 . 1 1 29 29 SER HB3 H 1 3.768 0.020 . 2 . . . . 29 SER HB3 . 17252 1 94 . 1 1 30 30 ASN H H 1 8.709 0.020 . 1 . . . . 30 ASN H . 17252 1 95 . 1 1 30 30 ASN HA H 1 4.501 0.020 . 1 . . . . 30 ASN HA . 17252 1 96 . 1 1 30 30 ASN HB2 H 1 2.851 0.020 . 1 . . . . 30 ASN HB2 . 17252 1 97 . 1 1 30 30 ASN HB3 H 1 2.851 0.020 . 1 . . . . 30 ASN HB3 . 17252 1 98 . 1 1 31 31 THR H H 1 8.307 0.020 . 1 . . . . 31 THR H . 17252 1 99 . 1 1 31 31 THR HA H 1 4.495 0.004 . 1 . . . . 31 THR HA . 17252 1 100 . 1 1 31 31 THR HB H 1 4.120 0.001 . 1 . . . . 31 THR HB . 17252 1 101 . 1 1 31 31 THR HG21 H 1 1.060 0.020 . 1 . . . . 31 THR MG . 17252 1 102 . 1 1 31 31 THR HG22 H 1 1.060 0.020 . 1 . . . . 31 THR MG . 17252 1 103 . 1 1 31 31 THR HG23 H 1 1.060 0.020 . 1 . . . . 31 THR MG . 17252 1 104 . 1 1 32 32 PRO HA H 1 4.420 0.020 . 1 . . . . 32 PRO HA . 17252 1 105 . 1 1 32 32 PRO HD2 H 1 3.529 0.020 . 2 . . . . 32 PRO HD2 . 17252 1 106 . 1 1 32 32 PRO HD3 H 1 3.391 0.020 . 2 . . . . 32 PRO HD3 . 17252 1 107 . 1 1 33 33 PRO HA H 1 4.233 0.003 . 1 . . . . 33 PRO HA . 17252 1 108 . 1 1 33 33 PRO HD2 H 1 3.554 0.020 . 1 . . . . 33 PRO HD2 . 17252 1 109 . 1 1 33 33 PRO HD3 H 1 3.554 0.020 . 1 . . . . 33 PRO HD3 . 17252 1 110 . 1 1 34 34 LEU H H 1 8.803 0.001 . 1 . . . . 34 LEU H . 17252 1 111 . 1 1 34 34 LEU HA H 1 3.997 0.004 . 1 . . . . 34 LEU HA . 17252 1 112 . 1 1 36 36 CYS H H 1 7.960 0.001 . 1 . . . . 36 CYS H . 17252 1 113 . 1 1 36 36 CYS HA H 1 5.073 0.002 . 1 . . . . 36 CYS HA . 17252 1 114 . 1 1 36 36 CYS HB2 H 1 3.453 0.003 . 2 . . . . 36 CYS HB2 . 17252 1 115 . 1 1 36 36 CYS HB3 H 1 2.626 0.020 . 2 . . . . 36 CYS HB3 . 17252 1 116 . 1 1 37 37 GLN H H 1 7.699 0.002 . 1 . . . . 37 GLN H . 17252 1 117 . 1 1 37 37 GLN HA H 1 3.723 0.001 . 1 . . . . 37 GLN HA . 17252 1 118 . 1 1 37 37 GLN HB2 H 1 2.129 0.001 . 2 . . . . 37 GLN HB2 . 17252 1 119 . 1 1 37 37 GLN HB3 H 1 2.081 0.020 . 2 . . . . 37 GLN HB3 . 17252 1 120 . 1 1 37 37 GLN HG2 H 1 2.521 0.001 . 2 . . . . 37 GLN HG2 . 17252 1 121 . 1 1 37 37 GLN HG3 H 1 2.253 0.004 . 2 . . . . 37 GLN HG3 . 17252 1 122 . 1 1 38 38 ARG H H 1 8.595 0.001 . 1 . . . . 38 ARG H . 17252 1 123 . 1 1 38 38 ARG HA H 1 4.023 0.020 . 1 . . . . 38 ARG HA . 17252 1 124 . 1 1 39 39 TYR H H 1 8.607 0.020 . 1 . . . . 39 TYR H . 17252 1 125 . 1 1 39 39 TYR HA H 1 4.030 0.020 . 1 . . . . 39 TYR HA . 17252 1 126 . 1 1 39 39 TYR HB2 H 1 3.202 0.020 . 2 . . . . 39 TYR HB2 . 17252 1 127 . 1 1 39 39 TYR HB3 H 1 2.913 0.020 . 2 . . . . 39 TYR HB3 . 17252 1 128 . 1 1 40 40 CYS H H 1 8.728 0.001 . 1 . . . . 40 CYS H . 17252 1 129 . 1 1 40 40 CYS HA H 1 4.436 0.020 . 1 . . . . 40 CYS HA . 17252 1 130 . 1 1 40 40 CYS HB2 H 1 3.247 0.020 . 2 . . . . 40 CYS HB2 . 17252 1 131 . 1 1 40 40 CYS HB3 H 1 2.733 0.001 . 2 . . . . 40 CYS HB3 . 17252 1 132 . 1 1 41 41 ASN H H 1 8.329 0.020 . 1 . . . . 41 ASN H . 17252 1 133 . 1 1 41 41 ASN HA H 1 4.574 0.004 . 1 . . . . 41 ASN HA . 17252 1 134 . 1 1 41 41 ASN HB2 H 1 2.816 0.020 . 1 . . . . 41 ASN HB2 . 17252 1 135 . 1 1 41 41 ASN HB3 H 1 2.816 0.020 . 1 . . . . 41 ASN HB3 . 17252 1 136 . 1 1 42 42 ALA H H 1 7.741 0.001 . 1 . . . . 42 ALA H . 17252 1 137 . 1 1 42 42 ALA HA H 1 4.239 0.002 . 1 . . . . 42 ALA HA . 17252 1 138 . 1 1 42 42 ALA HB1 H 1 1.349 0.020 . 1 . . . . 42 ALA MB . 17252 1 139 . 1 1 42 42 ALA HB2 H 1 1.349 0.020 . 1 . . . . 42 ALA MB . 17252 1 140 . 1 1 42 42 ALA HB3 H 1 1.349 0.020 . 1 . . . . 42 ALA MB . 17252 1 141 . 1 1 43 43 SER H H 1 7.881 0.001 . 1 . . . . 43 SER H . 17252 1 142 . 1 1 43 43 SER HA H 1 4.286 0.001 . 1 . . . . 43 SER HA . 17252 1 143 . 1 1 43 43 SER HB2 H 1 3.753 0.002 . 1 . . . . 43 SER HB2 . 17252 1 144 . 1 1 43 43 SER HB3 H 1 3.753 0.002 . 1 . . . . 43 SER HB3 . 17252 1 145 . 1 1 44 44 VAL H H 1 7.883 0.002 . 1 . . . . 44 VAL H . 17252 1 146 . 1 1 44 44 VAL HA H 1 4.123 0.020 . 1 . . . . 44 VAL HA . 17252 1 147 . 1 1 44 44 VAL HB H 1 2.125 0.020 . 1 . . . . 44 VAL HB . 17252 1 148 . 1 1 44 44 VAL HG11 H 1 0.929 0.020 . 1 . . . . 44 VAL MG1 . 17252 1 149 . 1 1 44 44 VAL HG12 H 1 0.929 0.020 . 1 . . . . 44 VAL MG1 . 17252 1 150 . 1 1 44 44 VAL HG13 H 1 0.929 0.020 . 1 . . . . 44 VAL MG1 . 17252 1 151 . 1 1 44 44 VAL HG21 H 1 0.929 0.020 . 1 . . . . 44 VAL MG2 . 17252 1 152 . 1 1 44 44 VAL HG22 H 1 0.929 0.020 . 1 . . . . 44 VAL MG2 . 17252 1 153 . 1 1 44 44 VAL HG23 H 1 0.929 0.020 . 1 . . . . 44 VAL MG2 . 17252 1 154 . 1 1 45 45 THR H H 1 8.143 0.003 . 1 . . . . 45 THR H . 17252 1 155 . 1 1 45 45 THR HA H 1 4.259 0.020 . 1 . . . . 45 THR HA . 17252 1 156 . 1 1 45 45 THR HB H 1 4.175 0.020 . 1 . . . . 45 THR HB . 17252 1 157 . 1 1 45 45 THR HG21 H 1 1.161 0.020 . 1 . . . . 45 THR MG . 17252 1 158 . 1 1 45 45 THR HG22 H 1 1.161 0.020 . 1 . . . . 45 THR MG . 17252 1 159 . 1 1 45 45 THR HG23 H 1 1.161 0.020 . 1 . . . . 45 THR MG . 17252 1 160 . 1 1 46 46 ASN H H 1 8.393 0.001 . 1 . . . . 46 ASN H . 17252 1 161 . 1 1 46 46 ASN HA H 1 4.700 0.020 . 1 . . . . 46 ASN HA . 17252 1 162 . 1 1 46 46 ASN HB2 H 1 2.817 0.020 . 2 . . . . 46 ASN HB2 . 17252 1 163 . 1 1 46 46 ASN HB3 H 1 2.753 0.020 . 2 . . . . 46 ASN HB3 . 17252 1 164 . 1 1 47 47 SER H H 1 8.241 0.003 . 1 . . . . 47 SER H . 17252 1 165 . 1 1 47 47 SER HA H 1 4.388 0.007 . 1 . . . . 47 SER HA . 17252 1 166 . 1 1 47 47 SER HB2 H 1 3.858 0.020 . 1 . . . . 47 SER HB2 . 17252 1 167 . 1 1 47 47 SER HB3 H 1 3.858 0.020 . 1 . . . . 47 SER HB3 . 17252 1 168 . 1 1 48 48 VAL H H 1 8.150 0.003 . 1 . . . . 48 VAL H . 17252 1 169 . 1 1 48 48 VAL HA H 1 4.048 0.020 . 1 . . . . 48 VAL HA . 17252 1 170 . 1 1 48 48 VAL HB H 1 2.070 0.020 . 1 . . . . 48 VAL HB . 17252 1 171 . 1 1 48 48 VAL HG11 H 1 0.915 0.020 . 1 . . . . 48 VAL MG1 . 17252 1 172 . 1 1 48 48 VAL HG12 H 1 0.915 0.020 . 1 . . . . 48 VAL MG1 . 17252 1 173 . 1 1 48 48 VAL HG13 H 1 0.915 0.020 . 1 . . . . 48 VAL MG1 . 17252 1 174 . 1 1 48 48 VAL HG21 H 1 0.915 0.020 . 1 . . . . 48 VAL MG2 . 17252 1 175 . 1 1 48 48 VAL HG22 H 1 0.915 0.020 . 1 . . . . 48 VAL MG2 . 17252 1 176 . 1 1 48 48 VAL HG23 H 1 0.915 0.020 . 1 . . . . 48 VAL MG2 . 17252 1 177 . 1 1 49 49 LYS H H 1 8.402 0.022 . 1 . . . . 49 LYS H . 17252 1 178 . 1 1 49 49 LYS HA H 1 4.290 0.020 . 1 . . . . 49 LYS HA . 17252 1 179 . 1 1 50 50 CY1 H H 1 8.423 0.004 . . . . . . 50 CY1 H . 17252 1 180 . 1 1 50 50 CY1 HA H 1 4.498 0.020 . . . . . . 50 CY1 HA . 17252 1 181 . 1 1 50 50 CY1 HB2 H 1 3.054 0.020 . . . . . . 50 CY1 HB2 . 17252 1 182 . 1 1 50 50 CY1 HB3 H 1 2.880 0.020 . . . . . . 50 CY1 HB3 . 17252 1 stop_ save_