################################### # 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_set_TFE _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_TFE _Assigned_chem_shift_list.Entry_ID 5405 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_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 '2D 1H-1H DQF-COSY' 1 $sample_1 . 5405 1 2 '2D 1H-1H NOESY' 1 $sample_1 . 5405 1 3 '2D 1H-1H ROESY' 1 $sample_1 . 5405 1 4 '2D 1H-1H TOCSY' 1 $sample_1 . 5405 1 5 '2D 1H-13C HSQC' 1 $sample_1 . 5405 1 6 '2D 1H-13C HMBC' 1 $sample_1 . 5405 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 3.92 0.01 . 1 . . . . . . . . 5405 1 2 . 1 1 1 1 GLY HA3 H 1 3.92 0.01 . 1 . . . . . . . . 5405 1 3 . 1 1 2 2 ASN H H 1 8.33 0.01 . 1 . . . . . . . . 5405 1 4 . 1 1 2 2 ASN HA H 1 4.86 0.01 . 1 . . . . . . . . 5405 1 5 . 1 1 2 2 ASN HB2 H 1 2.94 0.01 . 1 . . . . . . . . 5405 1 6 . 1 1 2 2 ASN HB3 H 1 2.94 0.01 . 1 . . . . . . . . 5405 1 7 . 1 1 2 2 ASN HD21 H 1 7.26 0.01 . 2 . . . . . . . . 5405 1 8 . 1 1 2 2 ASN HD22 H 1 6.45 0.01 . 2 . . . . . . . . 5405 1 9 . 1 1 3 3 ASP H H 1 8.38 0.01 . 1 . . . . . . . . 5405 1 10 . 1 1 3 3 ASP HA H 1 4.65 0.01 . 1 . . . . . . . . 5405 1 11 . 1 1 3 3 ASP HB2 H 1 2.87 0.01 . 1 . . . . . . . . 5405 1 12 . 1 1 3 3 ASP HB3 H 1 2.87 0.01 . 1 . . . . . . . . 5405 1 13 . 1 1 4 4 TYR H H 1 7.94 0.01 . 1 . . . . . . . . 5405 1 14 . 1 1 4 4 TYR HA H 1 4.32 0.01 . 1 . . . . . . . . 5405 1 15 . 1 1 4 4 TYR HB2 H 1 3.13 0.01 . 1 . . . . . . . . 5405 1 16 . 1 1 4 4 TYR HB3 H 1 3.13 0.01 . 1 . . . . . . . . 5405 1 17 . 1 1 4 4 TYR HD1 H 1 7.12 0.01 . 1 . . . . . . . . 5405 1 18 . 1 1 4 4 TYR HD2 H 1 7.12 0.01 . 1 . . . . . . . . 5405 1 19 . 1 1 4 4 TYR HE1 H 1 6.87 0.01 . 1 . . . . . . . . 5405 1 20 . 1 1 4 4 TYR HE2 H 1 6.87 0.01 . 1 . . . . . . . . 5405 1 21 . 1 1 5 5 GLU H H 1 8.16 0.01 . 1 . . . . . . . . 5405 1 22 . 1 1 5 5 GLU HA H 1 4.12 0.01 . 1 . . . . . . . . 5405 1 23 . 1 1 5 5 GLU HB2 H 1 2.18 0.01 . 1 . . . . . . . . 5405 1 24 . 1 1 5 5 GLU HB3 H 1 2.18 0.01 . 1 . . . . . . . . 5405 1 25 . 1 1 5 5 GLU HG2 H 1 2.56 0.01 . 1 . . . . . . . . 5405 1 26 . 1 1 5 5 GLU HG3 H 1 2.56 0.01 . 1 . . . . . . . . 5405 1 27 . 1 1 6 6 ASP H H 1 8.11 0.01 . 1 . . . . . . . . 5405 1 28 . 1 1 6 6 ASP HA H 1 4.62 0.01 . 1 . . . . . . . . 5405 1 29 . 1 1 6 6 ASP HB2 H 1 3.00 0.01 . 2 . . . . . . . . 5405 1 30 . 1 1 6 6 ASP HB3 H 1 2.95 0.01 . 2 . . . . . . . . 5405 1 31 . 1 1 7 7 ARG H H 1 7.83 0.01 . 1 . . . . . . . . 5405 1 32 . 1 1 7 7 ARG HA H 1 4.07 0.01 . 1 . . . . . . . . 5405 1 33 . 1 1 7 7 ARG HB2 H 1 1.89 0.01 . 1 . . . . . . . . 5405 1 34 . 1 1 7 7 ARG HB3 H 1 1.89 0.01 . 1 . . . . . . . . 5405 1 35 . 1 1 7 7 ARG HG2 H 1 1.68 0.01 . 2 . . . . . . . . 5405 1 36 . 1 1 7 7 ARG HG3 H 1 1.61 0.01 . 2 . . . . . . . . 5405 1 37 . 1 1 7 7 ARG HD2 H 1 3.16 0.01 . 1 . . . . . . . . 5405 1 38 . 1 1 7 7 ARG HD3 H 1 3.16 0.01 . 1 . . . . . . . . 5405 1 39 . 1 1 7 7 ARG HE H 1 7.05 0.01 . 1 . . . . . . . . 5405 1 40 . 1 1 7 7 ARG HH11 H 1 6.51 0.01 . 1 . . . . . . . . 5405 1 41 . 1 1 7 7 ARG HH12 H 1 6.51 0.01 . 1 . . . . . . . . 5405 1 42 . 1 1 7 7 ARG HH21 H 1 6.51 0.01 . 1 . . . . . . . . 5405 1 43 . 1 1 7 7 ARG HH22 H 1 6.51 0.01 . 1 . . . . . . . . 5405 1 44 . 1 1 8 8 TYR H H 1 9.97 0.01 . 1 . . . . . . . . 5405 1 45 . 1 1 8 8 TYR HA H 1 4.24 0.01 . 1 . . . . . . . . 5405 1 46 . 1 1 8 8 TYR HB2 H 1 3.09 0.01 . 2 . . . . . . . . 5405 1 47 . 1 1 8 8 TYR HB3 H 1 2.98 0.01 . 2 . . . . . . . . 5405 1 48 . 1 1 8 8 TYR HD1 H 1 6.99 0.01 . 1 . . . . . . . . 5405 1 49 . 1 1 8 8 TYR HD2 H 1 6.99 0.01 . 1 . . . . . . . . 5405 1 50 . 1 1 8 8 TYR HE1 H 1 6.82 0.01 . 1 . . . . . . . . 5405 1 51 . 1 1 8 8 TYR HE2 H 1 6.82 0.01 . 1 . . . . . . . . 5405 1 52 . 1 1 9 9 TYR H H 1 8.15 0.01 . 1 . . . . . . . . 5405 1 53 . 1 1 9 9 TYR HA H 1 4.31 0.01 . 1 . . . . . . . . 5405 1 54 . 1 1 9 9 TYR HB2 H 1 3.20 0.01 . 1 . . . . . . . . 5405 1 55 . 1 1 9 9 TYR HB3 H 1 3.20 0.01 . 1 . . . . . . . . 5405 1 56 . 1 1 9 9 TYR HD1 H 1 7.18 0.01 . 1 . . . . . . . . 5405 1 57 . 1 1 9 9 TYR HD2 H 1 7.18 0.01 . 1 . . . . . . . . 5405 1 58 . 1 1 9 9 TYR HE1 H 1 6.88 0.01 . 1 . . . . . . . . 5405 1 59 . 1 1 9 9 TYR HE2 H 1 6.88 0.01 . 1 . . . . . . . . 5405 1 60 . 1 1 10 10 ARG H H 1 8.06 0.01 . 1 . . . . . . . . 5405 1 61 . 1 1 10 10 ARG HA H 1 4.08 0.01 . 1 . . . . . . . . 5405 1 62 . 1 1 10 10 ARG HB2 H 1 1.99 0.01 . 2 . . . . . . . . 5405 1 63 . 1 1 10 10 ARG HB3 H 1 1.89 0.01 . 2 . . . . . . . . 5405 1 64 . 1 1 10 10 ARG HG2 H 1 1.74 0.01 . 1 . . . . . . . . 5405 1 65 . 1 1 10 10 ARG HG3 H 1 1.74 0.01 . 1 . . . . . . . . 5405 1 66 . 1 1 10 10 ARG HD2 H 1 3.26 0.01 . 1 . . . . . . . . 5405 1 67 . 1 1 10 10 ARG HD3 H 1 3.26 0.01 . 1 . . . . . . . . 5405 1 68 . 1 1 10 10 ARG HE H 1 7.16 0.01 . 1 . . . . . . . . 5405 1 69 . 1 1 10 10 ARG HH11 H 1 6.55 0.01 . 1 . . . . . . . . 5405 1 70 . 1 1 10 10 ARG HH12 H 1 6.55 0.01 . 1 . . . . . . . . 5405 1 71 . 1 1 10 10 ARG HH21 H 1 6.55 0.01 . 1 . . . . . . . . 5405 1 72 . 1 1 10 10 ARG HH22 H 1 6.55 0.01 . 1 . . . . . . . . 5405 1 73 . 1 1 11 11 GLU H H 1 8.17 0.01 . 1 . . . . . . . . 5405 1 74 . 1 1 11 11 GLU HA H 1 4.22 0.01 . 1 . . . . . . . . 5405 1 75 . 1 1 11 11 GLU HB2 H 1 2.18 0.01 . 1 . . . . . . . . 5405 1 76 . 1 1 11 11 GLU HB3 H 1 2.18 0.01 . 1 . . . . . . . . 5405 1 77 . 1 1 11 11 GLU HG2 H 1 2.58 0.01 . 2 . . . . . . . . 5405 1 78 . 1 1 11 11 GLU HG3 H 1 2.62 0.01 . 2 . . . . . . . . 5405 1 79 . 1 1 12 12 ASN H H 1 7.75 0.01 . 1 . . . . . . . . 5405 1 80 . 1 1 12 12 ASN HA H 1 4.61 0.01 . 1 . . . . . . . . 5405 1 81 . 1 1 12 12 ASN HB2 H 1 2.67 0.01 . 1 . . . . . . . . 5405 1 82 . 1 1 12 12 ASN HB3 H 1 2.67 0.01 . 1 . . . . . . . . 5405 1 83 . 1 1 12 12 ASN HD21 H 1 6.98 0.01 . 2 . . . . . . . . 5405 1 84 . 1 1 12 12 ASN HD22 H 1 6.02 0.01 . 2 . . . . . . . . 5405 1 85 . 1 1 13 13 MET H H 1 7.82 0.01 . 1 . . . . . . . . 5405 1 86 . 1 1 13 13 MET HA H 1 4.25 0.01 . 1 . . . . . . . . 5405 1 87 . 1 1 13 13 MET HB2 H 1 1.96 0.01 . 1 . . . . . . . . 5405 1 88 . 1 1 13 13 MET HB3 H 1 1.96 0.01 . 1 . . . . . . . . 5405 1 89 . 1 1 13 13 MET HG2 H 1 2.40 0.01 . 1 . . . . . . . . 5405 1 90 . 1 1 13 13 MET HG3 H 1 2.40 0.01 . 1 . . . . . . . . 5405 1 91 . 1 1 13 13 MET HE1 H 1 2.03 0.01 . 1 . . . . . . . . 5405 1 92 . 1 1 13 13 MET HE2 H 1 2.03 0.01 . 1 . . . . . . . . 5405 1 93 . 1 1 13 13 MET HE3 H 1 2.03 0.01 . 1 . . . . . . . . 5405 1 94 . 1 1 14 14 TYR H H 1 7.57 0.01 . 1 . . . . . . . . 5405 1 95 . 1 1 14 14 TYR HA H 1 4.53 0.01 . 1 . . . . . . . . 5405 1 96 . 1 1 14 14 TYR HB2 H 1 3.01 0.01 . 1 . . . . . . . . 5405 1 97 . 1 1 14 14 TYR HB3 H 1 3.01 0.01 . 1 . . . . . . . . 5405 1 98 . 1 1 14 14 TYR HD1 H 1 7.13 0.01 . 1 . . . . . . . . 5405 1 99 . 1 1 14 14 TYR HD2 H 1 7.13 0.01 . 1 . . . . . . . . 5405 1 100 . 1 1 14 14 TYR HE1 H 1 6.84 0.01 . 1 . . . . . . . . 5405 1 101 . 1 1 14 14 TYR HE2 H 1 6.84 0.01 . 1 . . . . . . . . 5405 1 102 . 1 1 15 15 ARG H H 1 7.48 0.01 . 1 . . . . . . . . 5405 1 103 . 1 1 15 15 ARG HA H 1 4.30 0.01 . 1 . . . . . . . . 5405 1 104 . 1 1 15 15 ARG HB2 H 1 1.70 0.01 . 1 . . . . . . . . 5405 1 105 . 1 1 15 15 ARG HB3 H 1 1.70 0.01 . 1 . . . . . . . . 5405 1 106 . 1 1 15 15 ARG HG2 H 1 1.48 0.01 . 1 . . . . . . . . 5405 1 107 . 1 1 15 15 ARG HG3 H 1 1.48 0.01 . 1 . . . . . . . . 5405 1 108 . 1 1 15 15 ARG HD2 H 1 3.15 0.01 . 1 . . . . . . . . 5405 1 109 . 1 1 15 15 ARG HD3 H 1 3.15 0.01 . 1 . . . . . . . . 5405 1 110 . 1 1 15 15 ARG HE H 1 6.98 0.01 . 1 . . . . . . . . 5405 1 111 . 1 1 15 15 ARG HH11 H 1 6.51 0.01 . 1 . . . . . . . . 5405 1 112 . 1 1 15 15 ARG HH12 H 1 6.51 0.01 . 1 . . . . . . . . 5405 1 113 . 1 1 15 15 ARG HH21 H 1 6.51 0.01 . 1 . . . . . . . . 5405 1 114 . 1 1 15 15 ARG HH22 H 1 6.51 0.01 . 1 . . . . . . . . 5405 1 115 . 1 1 16 16 TYR H H 1 7.68 0.01 . 1 . . . . . . . . 5405 1 116 . 1 1 16 16 TYR HA H 1 4.92 0.01 . 1 . . . . . . . . 5405 1 117 . 1 1 16 16 TYR HB2 H 1 3.15 0.01 . 2 . . . . . . . . 5405 1 118 . 1 1 16 16 TYR HB3 H 1 2.96 0.01 . 2 . . . . . . . . 5405 1 119 . 1 1 16 16 TYR HD1 H 1 7.17 0.01 . 1 . . . . . . . . 5405 1 120 . 1 1 16 16 TYR HD2 H 1 7.17 0.01 . 1 . . . . . . . . 5405 1 121 . 1 1 16 16 TYR HE1 H 1 6.85 0.01 . 1 . . . . . . . . 5405 1 122 . 1 1 16 16 TYR HE2 H 1 6.85 0.01 . 1 . . . . . . . . 5405 1 123 . 1 1 17 17 PRO HA H 1 4.89 0.01 . 1 . . . . . . . . 5405 1 124 . 1 1 17 17 PRO HB2 H 1 2.31 0.01 . 2 . . . . . . . . 5405 1 125 . 1 1 17 17 PRO HB3 H 1 2.07 0.01 . 2 . . . . . . . . 5405 1 126 . 1 1 17 17 PRO HG2 H 1 2.05 0.01 . 1 . . . . . . . . 5405 1 127 . 1 1 17 17 PRO HG3 H 1 2.05 0.01 . 1 . . . . . . . . 5405 1 128 . 1 1 17 17 PRO HD2 H 1 3.84 0.01 . 1 . . . . . . . . 5405 1 129 . 1 1 17 17 PRO HD3 H 1 3.62 0.01 . 1 . . . . . . . . 5405 1 130 . 1 1 18 18 ASN H H 1 7.91 0.01 . 1 . . . . . . . . 5405 1 131 . 1 1 18 18 ASN HA H 1 4.69 0.01 . 1 . . . . . . . . 5405 1 132 . 1 1 18 18 ASN HB2 H 1 2.88 0.01 . 1 . . . . . . . . 5405 1 133 . 1 1 18 18 ASN HB3 H 1 2.88 0.01 . 1 . . . . . . . . 5405 1 134 . 1 1 18 18 ASN HD21 H 1 7.22 0.01 . 2 . . . . . . . . 5405 1 135 . 1 1 18 18 ASN HD22 H 1 6.42 0.01 . 2 . . . . . . . . 5405 1 136 . 1 1 19 19 GLN H H 1 8.19 0.01 . 1 . . . . . . . . 5405 1 137 . 1 1 19 19 GLN HA H 1 4.28 0.01 . 1 . . . . . . . . 5405 1 138 . 1 1 19 19 GLN HB2 H 1 2.13 0.01 . 1 . . . . . . . . 5405 1 139 . 1 1 19 19 GLN HB3 H 1 2.13 0.01 . 1 . . . . . . . . 5405 1 140 . 1 1 19 19 GLN HG2 H 1 2.42 0.01 . 1 . . . . . . . . 5405 1 141 . 1 1 19 19 GLN HG3 H 1 2.42 0.01 . 1 . . . . . . . . 5405 1 142 . 1 1 19 19 GLN HE21 H 1 6.42 0.01 . 2 . . . . . . . . 5405 1 143 . 1 1 19 19 GLN HE22 H 1 7.17 0.01 . 2 . . . . . . . . 5405 1 144 . 1 1 20 20 VAL H H 1 7.66 0.01 . 1 . . . . . . . . 5405 1 145 . 1 1 20 20 VAL HA H 1 3.98 0.01 . 1 . . . . . . . . 5405 1 146 . 1 1 20 20 VAL HB H 1 2.05 0.01 . 1 . . . . . . . . 5405 1 147 . 1 1 20 20 VAL HG11 H 1 0.89 0.01 . 2 . . . . . . . . 5405 1 148 . 1 1 20 20 VAL HG12 H 1 0.89 0.01 . 2 . . . . . . . . 5405 1 149 . 1 1 20 20 VAL HG13 H 1 0.89 0.01 . 2 . . . . . . . . 5405 1 150 . 1 1 20 20 VAL HG21 H 1 0.80 0.01 . 2 . . . . . . . . 5405 1 151 . 1 1 20 20 VAL HG22 H 1 0.80 0.01 . 2 . . . . . . . . 5405 1 152 . 1 1 20 20 VAL HG23 H 1 0.80 0.01 . 2 . . . . . . . . 5405 1 153 . 1 1 21 21 TYR H H 1 7.46 0.01 . 1 . . . . . . . . 5405 1 154 . 1 1 21 21 TYR HA H 1 4.54 0.01 . 1 . . . . . . . . 5405 1 155 . 1 1 21 21 TYR HB2 H 1 3.06 0.01 . 2 . . . . . . . . 5405 1 156 . 1 1 21 21 TYR HB3 H 1 2.89 0.01 . 2 . . . . . . . . 5405 1 157 . 1 1 21 21 TYR HD1 H 1 7.06 0.01 . 1 . . . . . . . . 5405 1 158 . 1 1 21 21 TYR HD2 H 1 7.06 0.01 . 1 . . . . . . . . 5405 1 159 . 1 1 21 21 TYR HE1 H 1 6.83 0.01 . 1 . . . . . . . . 5405 1 160 . 1 1 21 21 TYR HE2 H 1 6.83 0.01 . 1 . . . . . . . . 5405 1 161 . 1 1 22 22 TYR H H 1 7.52 0.01 . 1 . . . . . . . . 5405 1 162 . 1 1 22 22 TYR HA H 1 4.56 0.01 . 1 . . . . . . . . 5405 1 163 . 1 1 22 22 TYR HB2 H 1 3.03 0.01 . 1 . . . . . . . . 5405 1 164 . 1 1 22 22 TYR HB3 H 1 3.03 0.01 . 1 . . . . . . . . 5405 1 165 . 1 1 22 22 TYR HD1 H 1 7.10 0.01 . 1 . . . . . . . . 5405 1 166 . 1 1 22 22 TYR HD2 H 1 7.10 0.01 . 1 . . . . . . . . 5405 1 167 . 1 1 22 22 TYR HE1 H 1 6.83 0.01 . 1 . . . . . . . . 5405 1 168 . 1 1 22 22 TYR HE2 H 1 6.83 0.01 . 1 . . . . . . . . 5405 1 169 . 1 1 23 23 ARG H H 1 7.39 0.01 . 1 . . . . . . . . 5405 1 170 . 1 1 23 23 ARG HA H 1 4.48 0.01 . 1 . . . . . . . . 5405 1 171 . 1 1 23 23 ARG HB2 H 1 1.86 0.01 . 2 . . . . . . . . 5405 1 172 . 1 1 23 23 ARG HB3 H 1 1.75 0.01 . 2 . . . . . . . . 5405 1 173 . 1 1 23 23 ARG HG2 H 1 1.67 0.01 . 1 . . . . . . . . 5405 1 174 . 1 1 23 23 ARG HG3 H 1 1.67 0.01 . 1 . . . . . . . . 5405 1 175 . 1 1 23 23 ARG HD2 H 1 3.26 0.01 . 2 . . . . . . . . 5405 1 176 . 1 1 23 23 ARG HD3 H 1 3.20 0.01 . 2 . . . . . . . . 5405 1 177 . 1 1 23 23 ARG HE H 1 7.04 0.01 . 1 . . . . . . . . 5405 1 178 . 1 1 23 23 ARG HH11 H 1 6.55 0.01 . 1 . . . . . . . . 5405 1 179 . 1 1 23 23 ARG HH12 H 1 6.55 0.01 . 1 . . . . . . . . 5405 1 180 . 1 1 23 23 ARG HH21 H 1 6.55 0.01 . 1 . . . . . . . . 5405 1 181 . 1 1 23 23 ARG HH22 H 1 6.55 0.01 . 1 . . . . . . . . 5405 1 182 . 1 1 24 24 PRO HA H 1 4.49 0.01 . 1 . . . . . . . . 5405 1 183 . 1 1 24 24 PRO HB2 H 1 2.07 0.01 . 2 . . . . . . . . 5405 1 184 . 1 1 24 24 PRO HB3 H 1 2.31 0.01 . 2 . . . . . . . . 5405 1 185 . 1 1 24 24 PRO HG2 H 1 2.05 0.01 . 1 . . . . . . . . 5405 1 186 . 1 1 24 24 PRO HG3 H 1 2.05 0.01 . 1 . . . . . . . . 5405 1 187 . 1 1 24 24 PRO HD2 H 1 3.64 0.01 . 1 . . . . . . . . 5405 1 188 . 1 1 24 24 PRO HD3 H 1 3.64 0.01 . 1 . . . . . . . . 5405 1 189 . 1 1 25 25 VAL H H 1 7.48 0.01 . 1 . . . . . . . . 5405 1 190 . 1 1 25 25 VAL HA H 1 4.22 0.01 . 1 . . . . . . . . 5405 1 191 . 1 1 25 25 VAL HB H 1 2.17 0.01 . 1 . . . . . . . . 5405 1 192 . 1 1 25 25 VAL HG11 H 1 1.01 0.01 . 1 . . . . . . . . 5405 1 193 . 1 1 25 25 VAL HG12 H 1 1.01 0.01 . 1 . . . . . . . . 5405 1 194 . 1 1 25 25 VAL HG13 H 1 1.01 0.01 . 1 . . . . . . . . 5405 1 195 . 1 1 25 25 VAL HG21 H 1 1.01 0.01 . 1 . . . . . . . . 5405 1 196 . 1 1 25 25 VAL HG22 H 1 1.01 0.01 . 1 . . . . . . . . 5405 1 197 . 1 1 25 25 VAL HG23 H 1 1.01 0.01 . 1 . . . . . . . . 5405 1 198 . 1 1 26 26 CYS H H 1 7.68 0.01 . 1 . . . . . . . . 5405 1 199 . 1 1 26 26 CYS HA H 1 4.65 0.01 . 1 . . . . . . . . 5405 1 200 . 1 1 26 26 CYS HB2 H 1 3.02 0.01 . 2 . . . . . . . . 5405 1 201 . 1 1 26 26 CYS HB3 H 1 2.10 0.01 . 2 . . . . . . . . 5405 1 stop_ save_