################################### # 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_brazzein_ph37310as _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_brazzein_ph37310as _Assigned_chem_shift_list.Entry_ID 5296 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_set_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_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 TOCSY 1 $sample_1 . 5296 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.Ambiguity_set_ID _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 3 3 CYS H H 1 8.43 . . . . . . . . 4 . . . 5296 1 2 . 1 1 3 3 CYS HA H 1 4.66 . . . . . . . . 4 . . . 5296 1 3 . 1 1 3 3 CYS HB2 H 1 3.03 . . . . . . . . 4 . . . 5296 1 4 . 1 1 3 3 CYS HB3 H 1 3.31 . . . . . . . . 4 . . . 5296 1 5 . 1 1 4 4 LYS H H 1 7.97 . . . . . . . . 5 . . . 5296 1 6 . 1 1 4 4 LYS HA H 1 5.54 . . . . . . . . 5 . . . 5296 1 7 . 1 1 4 4 LYS HB2 H 1 1.74 . . . . . . . . 5 . . . 5296 1 8 . 1 1 4 4 LYS HB3 H 1 1.74 . . . . . . . . 5 . . . 5296 1 9 . 1 1 4 4 LYS HD2 H 1 1.51 . . . . . . . . 5 . . . 5296 1 10 . 1 1 4 4 LYS HD3 H 1 1.51 . . . . . . . . 5 . . . 5296 1 11 . 1 1 4 4 LYS HE2 H 1 2.81 . . . . . . . . 5 . . . 5296 1 12 . 1 1 4 4 LYS HE3 H 1 2.81 . . . . . . . . 5 . . . 5296 1 13 . 1 1 4 4 LYS HG2 H 1 1.31 . . . . . . . . 5 . . . 5296 1 14 . 1 1 5 5 LYS H H 1 8.94 . . . . . . . . 6 . . . 5296 1 15 . 1 1 5 5 LYS HA H 1 4.75 . . . . . . . . 6 . . . 5296 1 16 . 1 1 5 5 LYS HB2 H 1 1.80 . . . . . . . . 6 . . . 5296 1 17 . 1 1 5 5 LYS HB3 H 1 1.91 . . . . . . . . 6 . . . 5296 1 18 . 1 1 5 5 LYS HE2 H 1 2.82 . . . . . . . . 6 . . . 5296 1 19 . 1 1 5 5 LYS HE3 H 1 2.82 . . . . . . . . 6 . . . 5296 1 20 . 1 1 5 5 LYS HG2 H 1 1.35 . . . . . . . . 6 . . . 5296 1 21 . 1 1 5 5 LYS HG3 H 1 1.46 . . . . . . . . 6 . . . 5296 1 22 . 1 1 6 6 VAL H H 1 8.78 . . . . . . . . 7 . . . 5296 1 23 . 1 1 6 6 VAL HA H 1 3.99 . . . . . . . . 7 . . . 5296 1 24 . 1 1 6 6 VAL HB H 1 2.03 . . . . . . . . 7 . . . 5296 1 25 . 1 1 6 6 VAL HG11 H 1 1.03 . . . . . . . . 7 . . . 5296 1 26 . 1 1 6 6 VAL HG12 H 1 1.03 . . . . . . . . 7 . . . 5296 1 27 . 1 1 6 6 VAL HG13 H 1 1.03 . . . . . . . . 7 . . . 5296 1 28 . 1 1 6 6 VAL HG21 H 1 0.90 . . . . . . . . 7 . . . 5296 1 29 . 1 1 6 6 VAL HG22 H 1 0.90 . . . . . . . . 7 . . . 5296 1 30 . 1 1 6 6 VAL HG23 H 1 0.90 . . . . . . . . 7 . . . 5296 1 31 . 1 1 7 7 TYR H H 1 9.19 . . . . . . . . 8 . . . 5296 1 32 . 1 1 7 7 TYR HA H 1 4.42 . . . . . . . . 8 . . . 5296 1 33 . 1 1 7 7 TYR HB2 H 1 2.76 . . . . . . . . 8 . . . 5296 1 34 . 1 1 7 7 TYR HB3 H 1 3.09 . . . . . . . . 8 . . . 5296 1 35 . 1 1 8 8 GLU H H 1 8.98 . . . . . . . . 9 . . . 5296 1 36 . 1 1 8 8 GLU HA H 1 4.15 . . . . . . . . 9 . . . 5296 1 37 . 1 1 8 8 GLU HB2 H 1 2.01 . . . . . . . . 9 . . . 5296 1 38 . 1 1 8 8 GLU HB3 H 1 2.01 . . . . . . . . 9 . . . 5296 1 39 . 1 1 8 8 GLU HG2 H 1 2.41 . . . . . . . . 9 . . . 5296 1 40 . 1 1 8 8 GLU HG3 H 1 2.41 . . . . . . . . 9 . . . 5296 1 41 . 1 1 9 9 ASN H H 1 9.25 . . . . . . . . 10 . . . 5296 1 42 . 1 1 9 9 ASN HA H 1 4.40 . . . . . . . . 10 . . . 5296 1 43 . 1 1 9 9 ASN HB2 H 1 3.01 . . . . . . . . 10 . . . 5296 1 44 . 1 1 9 9 ASN HB3 H 1 3.09 . . . . . . . . 10 . . . 5296 1 45 . 1 1 9 9 ASN HD21 H 1 6.93 . . . . . . . . 10 . . . 5296 1 46 . 1 1 9 9 ASN HD22 H 1 7.59 . . . . . . . . 10 . . . 5296 1 47 . 1 1 10 10 TYR H H 1 7.28 . . . . . . . . 11 . . . 5296 1 48 . 1 1 10 10 TYR HA H 1 3.91 . . . . . . . . 11 . . . 5296 1 49 . 1 1 10 10 TYR HB2 H 1 3.07 . . . . . . . . 11 . . . 5296 1 50 . 1 1 10 10 TYR HB3 H 1 3.14 . . . . . . . . 11 . . . 5296 1 51 . 1 1 12 12 VAL H H 1 8.10 . . . . . . . . 13 . . . 5296 1 52 . 1 1 12 12 VAL HA H 1 3.79 . . . . . . . . 13 . . . 5296 1 53 . 1 1 13 13 SER H H 1 8.34 . . . . . . . . 14 . . . 5296 1 54 . 1 1 13 13 SER HA H 1 4.15 . . . . . . . . 14 . . . 5296 1 55 . 1 1 13 13 SER HB2 H 1 3.84 . . . . . . . . 14 . . . 5296 1 56 . 1 1 13 13 SER HB3 H 1 3.84 . . . . . . . . 14 . . . 5296 1 57 . 1 1 14 14 LYS H H 1 7.74 . . . . . . . . 15 . . . 5296 1 58 . 1 1 14 14 LYS HA H 1 4.15 . . . . . . . . 15 . . . 5296 1 59 . 1 1 14 14 LYS HB2 H 1 1.89 . . . . . . . . 15 . . . 5296 1 60 . 1 1 14 14 LYS HB3 H 1 1.89 . . . . . . . . 15 . . . 5296 1 61 . 1 1 14 14 LYS HD2 H 1 1.26 . . . . . . . . 15 . . . 5296 1 62 . 1 1 14 14 LYS HD3 H 1 1.38 . . . . . . . . 15 . . . 5296 1 63 . 1 1 15 15 CYS H H 1 7.84 . . . . . . . . 16 . . . 5296 1 64 . 1 1 15 15 CYS HA H 1 4.84 . . . . . . . . 16 . . . 5296 1 65 . 1 1 15 15 CYS HB2 H 1 3.08 . . . . . . . . 16 . . . 5296 1 66 . 1 1 16 16 GLN H H 1 7.51 . . . . . . . . 17 . . . 5296 1 67 . 1 1 16 16 GLN HA H 1 4.23 . . . . . . . . 17 . . . 5296 1 68 . 1 1 16 16 GLN HB2 H 1 2.05 . . . . . . . . 17 . . . 5296 1 69 . 1 1 16 16 GLN HB3 H 1 2.32 . . . . . . . . 17 . . . 5296 1 70 . 1 1 16 16 GLN HG3 H 1 2.40 . . . . . . . . 17 . . . 5296 1 71 . 1 1 17 17 LEU H H 1 7.32 . . . . . . . . 18 . . . 5296 1 72 . 1 1 17 17 LEU HA H 1 4.40 . . . . . . . . 18 . . . 5296 1 73 . 1 1 17 17 LEU HB2 H 1 1.82 . . . . . . . . 18 . . . 5296 1 74 . 1 1 17 17 LEU HG H 1 1.72 . . . . . . . . 18 . . . 5296 1 75 . 1 1 18 18 ARG H H 1 8.40 . . . . . . . . 18a . . . 5296 1 76 . 1 1 18 18 ARG HA H 1 4.25 . . . . . . . . 18a . . . 5296 1 77 . 1 1 18 18 ARG HB2 H 1 1.87 . . . . . . . . 18a . . . 5296 1 78 . 1 1 18 18 ARG HB3 H 1 1.97 . . . . . . . . 18a . . . 5296 1 79 . 1 1 18 18 ARG HG2 H 1 1.63 . . . . . . . . 18a . . . 5296 1 80 . 1 1 18 18 ARG HG3 H 1 1.73 . . . . . . . . 18a . . . 5296 1 81 . 1 1 19 19 ILE H H 1 7.71 . . . . . . . . 18b . . . 5296 1 82 . 1 1 19 19 ILE HA H 1 4.09 . . . . . . . . 18b . . . 5296 1 83 . 1 1 19 19 ILE HD11 H 1 0.95 . . . . . . . . 18b . . . 5296 1 84 . 1 1 19 19 ILE HD12 H 1 0.95 . . . . . . . . 18b . . . 5296 1 85 . 1 1 19 19 ILE HD13 H 1 0.95 . . . . . . . . 18b . . . 5296 1 86 . 1 1 20 20 ALA H H 1 7.68 . . . . . . . . 19 . . . 5296 1 87 . 1 1 20 20 ALA HA H 1 4.33 . . . . . . . . 19 . . . 5296 1 88 . 1 1 20 20 ALA HB1 H 1 1.38 . . . . . . . . 19 . . . 5296 1 89 . 1 1 20 20 ALA HB2 H 1 1.38 . . . . . . . . 19 . . . 5296 1 90 . 1 1 20 20 ALA HB3 H 1 1.38 . . . . . . . . 19 . . . 5296 1 91 . 1 1 21 21 ASN H H 1 8.25 . . . . . . . . 20 . . . 5296 1 92 . 1 1 21 21 ASN HA H 1 4.75 . . . . . . . . 20 . . . 5296 1 93 . 1 1 21 21 ASN HB2 H 1 2.80 . . . . . . . . 20 . . . 5296 1 94 . 1 1 21 21 ASN HB3 H 1 3.09 . . . . . . . . 20 . . . 5296 1 95 . 1 1 21 21 ASN HD21 H 1 6.85 . . . . . . . . 20 . . . 5296 1 96 . 1 1 21 21 ASN HD22 H 1 7.70 . . . . . . . . 20 . . . 5296 1 97 . 1 1 22 22 GLN H H 1 7.45 . . . . . . . . 21 . . . 5296 1 98 . 1 1 22 22 GLN HA H 1 3.82 . . . . . . . . 21 . . . 5296 1 99 . 1 1 22 22 GLN HE21 H 1 6.64 . . . . . . . . 21 . . . 5296 1 100 . 1 1 22 22 GLN HE22 H 1 7.7 . . . . . . . . 21 . . . 5296 1 101 . 1 1 22 22 GLN HG2 H 1 2.69 . . . . . . . . 21 . . . 5296 1 102 . 1 1 23 23 CYS H H 1 8.30 . . . . . . . . 22 . . . 5296 1 103 . 1 1 23 23 CYS HA H 1 4.24 . . . . . . . . 22 . . . 5296 1 104 . 1 1 23 23 CYS HB2 H 1 2.52 . . . . . . . . 22 . . . 5296 1 105 . 1 1 23 23 CYS HB3 H 1 2.85 . . . . . . . . 22 . . . 5296 1 106 . 1 1 24 24 ASN H H 1 8.30 . . . . . . . . 23 . . . 5296 1 107 . 1 1 24 24 ASN HA H 1 4.24 . . . . . . . . 23 . . . 5296 1 108 . 1 1 24 24 ASN HB2 H 1 2.52 . . . . . . . . 23 . . . 5296 1 109 . 1 1 24 24 ASN HB3 H 1 2.85 . . . . . . . . 23 . . . 5296 1 110 . 1 1 25 25 TYR H H 1 8.04 . . . . . . . . 24 . . . 5296 1 111 . 1 1 25 25 TYR HA H 1 4.10 . . . . . . . . 24 . . . 5296 1 112 . 1 1 25 25 TYR HB3 H 1 3.19 . . . . . . . . 24 . . . 5296 1 113 . 1 1 27 27 CYS H H 1 9.14 . . . . . . . . 26 . . . 5296 1 114 . 1 1 27 27 CYS HA H 1 4.13 . . . . . . . . 26 . . . 5296 1 115 . 1 1 27 27 CYS HB3 H 1 2.84 . . . . . . . . 26 . . . 5296 1 116 . 1 1 28 28 LYS H H 1 7.50 . . . . . . . . 27 . . . 5296 1 117 . 1 1 28 28 LYS HA H 1 4.07 . . . . . . . . 27 . . . 5296 1 118 . 1 1 28 28 LYS HB3 H 1 1.69 . . . . . . . . 27 . . . 5296 1 119 . 1 1 29 29 LEU H H 1 8.20 . . . . . . . . 28 . . . 5296 1 120 . 1 1 29 29 LEU HA H 1 4.06 . . . . . . . . 28 . . . 5296 1 121 . 1 1 29 29 LEU HB2 H 1 1.64 . . . . . . . . 28 . . . 5296 1 122 . 1 1 30 30 ASP H H 1 8.97 . . . . . . . . 29 . . . 5296 1 123 . 1 1 30 30 ASP HA H 1 4.53 . . . . . . . . 29 . . . 5296 1 124 . 1 1 30 30 ASP HB2 H 1 2.82 . . . . . . . . 29 . . . 5296 1 125 . 1 1 30 30 ASP HB3 H 1 3.02 . . . . . . . . 29 . . . 5296 1 126 . 1 1 31 31 LYS H H 1 6.60 . . . . . . . . 30 . . . 5296 1 127 . 1 1 31 31 LYS HA H 1 4.52 . . . . . . . . 30 . . . 5296 1 128 . 1 1 31 31 LYS HB2 H 1 2.25 . . . . . . . . 30 . . . 5296 1 129 . 1 1 31 31 LYS HB3 H 1 2.35 . . . . . . . . 30 . . . 5296 1 130 . 1 1 31 31 LYS HD2 H 1 1.24 . . . . . . . . 30 . . . 5296 1 131 . 1 1 31 31 LYS HG2 H 1 0.86 . . . . . . . . 30 . . . 5296 1 132 . 1 1 32 32 HIS H H 1 7.04 . . . . . . . . 31 . . . 5296 1 133 . 1 1 32 32 HIS HA H 1 4.58 . . . . . . . . 31 . . . 5296 1 134 . 1 1 32 32 HIS HB3 H 1 3.54 . . . . . . . . 31 . . . 5296 1 135 . 1 1 32 32 HIS HD2 H 1 7.21 . . . . . . . . 31 . . . 5296 1 136 . 1 1 32 32 HIS HE1 H 1 8.60 . . . . . . . . 31 . . . 5296 1 137 . 1 1 33 33 ALA H H 1 7.67 . . . . . . . . 32 . . . 5296 1 138 . 1 1 33 33 ALA HA H 1 4.09 . . . . . . . . 32 . . . 5296 1 139 . 1 1 33 33 ALA HB1 H 1 0.52 . . . . . . . . 32 . . . 5296 1 140 . 1 1 33 33 ALA HB2 H 1 0.52 . . . . . . . . 32 . . . 5296 1 141 . 1 1 33 33 ALA HB3 H 1 0.52 . . . . . . . . 32 . . . 5296 1 142 . 1 1 34 34 ARG H H 1 8.23 . . . . . . . . 33 . . . 5296 1 143 . 1 1 34 34 ARG HA H 1 4.15 . . . . . . . . 33 . . . 5296 1 144 . 1 1 34 34 ARG HB2 H 1 1.47 . . . . . . . . 33 . . . 5296 1 145 . 1 1 34 34 ARG HB3 H 1 1.38 . . . . . . . . 33 . . . 5296 1 146 . 1 1 35 35 SER H H 1 7.98 . . . . . . . . 34 . . . 5296 1 147 . 1 1 35 35 SER HA H 1 4.59 . . . . . . . . 34 . . . 5296 1 148 . 1 1 35 35 SER HB2 H 1 3.39 . . . . . . . . 34 . . . 5296 1 149 . 1 1 35 35 SER HB3 H 1 4.12 . . . . . . . . 34 . . . 5296 1 150 . 1 1 36 36 GLY H H 1 8.65 . . . . . . . . 35 . . . 5296 1 151 . 1 1 36 36 GLY HA2 H 1 4.84 . . . . . . . . 35 . . . 5296 1 152 . 1 1 36 36 GLY HA3 H 1 3.97 . . . . . . . . 35 . . . 5296 1 153 . 1 1 37 37 GLU H H 1 8.32 . . . . . . . . 36 . . . 5296 1 154 . 1 1 37 37 GLU HA H 1 4.35 . . . . . . . . 36 . . . 5296 1 155 . 1 1 37 37 GLU HB2 H 1 1.88 . . . . . . . . 36 . . . 5296 1 156 . 1 1 37 37 GLU HB3 H 1 2.04 . . . . . . . . 36 . . . 5296 1 157 . 1 1 37 37 GLU HG2 H 1 2.05 . . . . . . . . 36 . . . 5296 1 158 . 1 1 37 37 GLU HG3 H 1 2.05 . . . . . . . . 36 . . . 5296 1 159 . 1 1 38 38 CYS H H 1 8.77 . . . . . . . . 37 . . . 5296 1 160 . 1 1 38 38 CYS HA H 1 5.96 . . . . . . . . 37 . . . 5296 1 161 . 1 1 38 38 CYS HB2 H 1 2.53 . . . . . . . . 37 . . . 5296 1 162 . 1 1 38 38 CYS HB3 H 1 3.48 . . . . . . . . 37 . . . 5296 1 163 . 1 1 39 39 PHE H H 1 9.16 . . . . . . . . 38 . . . 5296 1 164 . 1 1 39 39 PHE HA H 1 4.73 . . . . . . . . 38 . . . 5296 1 165 . 1 1 39 39 PHE HB2 H 1 2.75 . . . . . . . . 38 . . . 5296 1 166 . 1 1 39 39 PHE HB3 H 1 3.08 . . . . . . . . 38 . . . 5296 1 167 . 1 1 40 40 TYR H H 1 8.48 . . . . . . . . 39 . . . 5296 1 168 . 1 1 40 40 TYR HA H 1 4.91 . . . . . . . . 39 . . . 5296 1 169 . 1 1 40 40 TYR HB2 H 1 2.82 . . . . . . . . 39 . . . 5296 1 170 . 1 1 41 41 ASP H H 1 8.52 . . . . . . . . 40 . . . 5296 1 171 . 1 1 41 41 ASP HA H 1 4.72 . . . . . . . . 40 . . . 5296 1 172 . 1 1 41 41 ASP HB2 H 1 3.32 . . . . . . . . 40 . . . 5296 1 173 . 1 1 41 41 ASP HB3 H 1 2.74 . . . . . . . . 40 . . . 5296 1 174 . 1 1 42 42 GLU H H 1 8.96 . . . . . . . . 41 . . . 5296 1 175 . 1 1 42 42 GLU HA H 1 4.16 . . . . . . . . 41 . . . 5296 1 176 . 1 1 42 42 GLU HB2 H 1 2.12 . . . . . . . . 41 . . . 5296 1 177 . 1 1 42 42 GLU HB3 H 1 2.39 . . . . . . . . 41 . . . 5296 1 178 . 1 1 42 42 GLU HG2 H 1 2.40 . . . . . . . . 41 . . . 5296 1 179 . 1 1 43 43 LYS H H 1 8.11 . . . . . . . . 42 . . . 5296 1 180 . 1 1 43 43 LYS HA H 1 4.40 . . . . . . . . 42 . . . 5296 1 181 . 1 1 43 43 LYS HB2 H 1 1.80 . . . . . . . . 42 . . . 5296 1 182 . 1 1 43 43 LYS HB3 H 1 2.04 . . . . . . . . 42 . . . 5296 1 183 . 1 1 43 43 LYS HD2 H 1 1.68 . . . . . . . . 42 . . . 5296 1 184 . 1 1 44 44 ARG H H 1 8.29 . . . . . . . . 43 . . . 5296 1 185 . 1 1 44 44 ARG HA H 1 3.62 . . . . . . . . 43 . . . 5296 1 186 . 1 1 44 44 ARG HB2 H 1 2.04 . . . . . . . . 43 . . . 5296 1 187 . 1 1 44 44 ARG HB3 H 1 2.04 . . . . . . . . 43 . . . 5296 1 188 . 1 1 44 44 ARG HD2 H 1 3.06 . . . . . . . . 43 . . . 5296 1 189 . 1 1 44 44 ARG HE H 1 6.91 . . . . . . . . 43 . . . 5296 1 190 . 1 1 44 44 ARG HG2 H 1 1.45 . . . . . . . . 43 . . . 5296 1 191 . 1 1 44 44 ARG HG3 H 1 1.50 . . . . . . . . 43 . . . 5296 1 192 . 1 1 45 45 ASN H H 1 8.68 . . . . . . . . 44 . . . 5296 1 193 . 1 1 45 45 ASN HA H 1 4.92 . . . . . . . . 44 . . . 5296 1 194 . 1 1 45 45 ASN HB2 H 1 2.69 . . . . . . . . 44 . . . 5296 1 195 . 1 1 45 45 ASN HB3 H 1 2.95 . . . . . . . . 44 . . . 5296 1 196 . 1 1 45 45 ASN HD21 H 1 6.93 . . . . . . . . 44 . . . 5296 1 197 . 1 1 45 45 ASN HD22 H 1 8.14 . . . . . . . . 44 . . . 5296 1 198 . 1 1 46 46 LEU H H 1 8.43 . . . . . . . . 45 . . . 5296 1 199 . 1 1 46 46 LEU HA H 1 4.25 . . . . . . . . 45 . . . 5296 1 200 . 1 1 46 46 LEU HB2 H 1 1.29 . . . . . . . . 45 . . . 5296 1 201 . 1 1 46 46 LEU HB3 H 1 1.44 . . . . . . . . 45 . . . 5296 1 202 . 1 1 46 46 LEU HD11 H 1 0.33 . . . . . . . . 45 . . . 5296 1 203 . 1 1 46 46 LEU HD12 H 1 0.33 . . . . . . . . 45 . . . 5296 1 204 . 1 1 46 46 LEU HD13 H 1 0.33 . . . . . . . . 45 . . . 5296 1 205 . 1 1 47 47 GLN H H 1 8.54 . . . . . . . . 46 . . . 5296 1 206 . 1 1 47 47 GLN HA H 1 4.68 . . . . . . . . 46 . . . 5296 1 207 . 1 1 47 47 GLN HB2 H 1 1.86 . . . . . . . . 46 . . . 5296 1 208 . 1 1 47 47 GLN HB3 H 1 2.30 . . . . . . . . 46 . . . 5296 1 209 . 1 1 47 47 GLN HE21 H 1 7.38 . . . . . . . . 46 . . . 5296 1 210 . 1 1 47 47 GLN HE22 H 1 6.67 . . . . . . . . 46 . . . 5296 1 211 . 1 1 48 48 CYS H H 1 9.20 . . . . . . . . 47 . . . 5296 1 212 . 1 1 48 48 CYS HA H 1 4.82 . . . . . . . . 47 . . . 5296 1 213 . 1 1 48 48 CYS HB2 H 1 1.71 . . . . . . . . 47 . . . 5296 1 214 . 1 1 48 48 CYS HB3 H 1 2.47 . . . . . . . . 47 . . . 5296 1 215 . 1 1 49 49 ILE H H 1 8.73 . . . . . . . . 48 . . . 5296 1 216 . 1 1 49 49 ILE HA H 1 4.35 . . . . . . . . 48 . . . 5296 1 217 . 1 1 49 49 ILE HB H 1 2.11 . . . . . . . . 48 . . . 5296 1 218 . 1 1 49 49 ILE HD11 H 1 0.74 . . . . . . . . 48 . . . 5296 1 219 . 1 1 49 49 ILE HD12 H 1 0.74 . . . . . . . . 48 . . . 5296 1 220 . 1 1 49 49 ILE HD13 H 1 0.74 . . . . . . . . 48 . . . 5296 1 221 . 1 1 49 49 ILE HG12 H 1 1.15 . . . . . . . . 48 . . . 5296 1 222 . 1 1 49 49 ILE HG13 H 1 1.54 . . . . . . . . 48 . . . 5296 1 223 . 1 1 50 50 CYS H H 1 8.52 . . . . . . . . 49 . . . 5296 1 224 . 1 1 50 50 CYS HA H 1 5.28 . . . . . . . . 49 . . . 5296 1 225 . 1 1 50 50 CYS HB2 H 1 2.58 . . . . . . . . 49 . . . 5296 1 226 . 1 1 50 50 CYS HB3 H 1 2.65 . . . . . . . . 49 . . . 5296 1 227 . 1 1 51 51 ASP H H 1 8.79 . . . . . . . . 50 . . . 5296 1 228 . 1 1 51 51 ASP HA H 1 5.45 . . . . . . . . 50 . . . 5296 1 229 . 1 1 51 51 ASP HB2 H 1 2.33 . . . . . . . . 50 . . . 5296 1 230 . 1 1 51 51 ASP HB3 H 1 3.11 . . . . . . . . 50 . . . 5296 1 231 . 1 1 52 52 TYR H H 1 9.73 . . . . . . . . 51 . . . 5296 1 232 . 1 1 52 52 TYR HA H 1 4.22 . . . . . . . . 51 . . . 5296 1 233 . 1 1 52 52 TYR HB2 H 1 2.93 . . . . . . . . 51 . . . 5296 1 234 . 1 1 52 52 TYR HB3 H 1 3.44 . . . . . . . . 51 . . . 5296 1 235 . 1 1 52 52 TYR HD2 H 1 7.32 . . . . . . . . 51 . . . 5296 1 236 . 1 1 52 52 TYR HE1 H 1 6.72 . . . . . . . . 51 . . . 5296 1 237 . 1 1 52 52 TYR HE2 H 1 6.72 . . . . . . . . 51 . . . 5296 1 238 . 1 1 53 53 CYS H H 1 9.36 . . . . . . . . 52 . . . 5296 1 239 . 1 1 53 53 CYS HA H 1 4.46 . . . . . . . . 52 . . . 5296 1 240 . 1 1 53 53 CYS HB2 H 1 3.09 . . . . . . . . 52 . . . 5296 1 241 . 1 1 53 53 CYS HB3 H 1 3.51 . . . . . . . . 52 . . . 5296 1 242 . 1 1 54 54 GLU H H 1 8.38 . . . . . . . . 53 . . . 5296 1 243 . 1 1 54 54 GLU HA H 1 4.27 . . . . . . . . 53 . . . 5296 1 244 . 1 1 54 54 GLU HB2 H 1 1.78 . . . . . . . . 53 . . . 5296 1 245 . 1 1 54 54 GLU HB3 H 1 1.99 . . . . . . . . 53 . . . 5296 1 246 . 1 1 54 54 GLU HG2 H 1 2.19 . . . . . . . . 53 . . . 5296 1 247 . 1 1 54 54 GLU HG3 H 1 2.27 . . . . . . . . 53 . . . 5296 1 248 . 1 1 55 55 TYR H H 1 7.68 . . . . . . . . 54 . . . 5296 1 249 . 1 1 55 55 TYR HA H 1 4.20 . . . . . . . . 54 . . . 5296 1 250 . 1 1 55 55 TYR HB2 H 1 2.78 . . . . . . . . 54 . . . 5296 1 251 . 1 1 55 55 TYR HB3 H 1 3.13 . . . . . . . . 54 . . . 5296 1 252 . 1 1 55 55 TYR HD1 H 1 7.68 . . . . . . . . 54 . . . 5296 1 253 . 1 1 55 55 TYR HD2 H 1 4.20 . . . . . . . . 54 . . . 5296 1 254 . 1 1 55 55 TYR HE1 H 1 2.78 . . . . . . . . 54 . . . 5296 1 255 . 1 1 55 55 TYR HE2 H 1 3.13 . . . . . . . . 54 . . . 5296 1 stop_ save_