################################### # 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 1553 _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 . 1553 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 3 3 GLY H H 1 8.5 . . 1 . . . . 2 GLY H . 1553 1 2 . 1 1 3 3 GLY HA2 H 1 3.99 . . 1 . . . . 2 GLY HA2 . 1553 1 3 . 1 1 3 3 GLY HA3 H 1 3.99 . . 1 . . . . 2 GLY HA3 . 1553 1 4 . 1 1 4 4 GLU H H 1 8.15 . . 1 . . . . 3 GLU H . 1553 1 5 . 1 1 4 4 GLU HA H 1 4.26 . . 1 . . . . 3 GLU HA . 1553 1 6 . 1 1 4 4 GLU HB2 H 1 1.87 . . 2 . . . . 3 GLU HB2 . 1553 1 7 . 1 1 4 4 GLU HB3 H 1 1.94 . . 2 . . . . 3 GLU HB3 . 1553 1 8 . 1 1 4 4 GLU HG2 H 1 2.17 . . 1 . . . . 3 GLU HG2 . 1553 1 9 . 1 1 4 4 GLU HG3 H 1 2.17 . . 1 . . . . 3 GLU HG3 . 1553 1 10 . 1 1 5 5 HIS H H 1 8.44 . . 1 . . . . 4 HIS H . 1553 1 11 . 1 1 5 5 HIS HA H 1 4.78 . . 1 . . . . 4 HIS HA . 1553 1 12 . 1 1 5 5 HIS HB2 H 1 3.25 . . 2 . . . . 4 HIS HB2 . 1553 1 13 . 1 1 5 5 HIS HB3 H 1 3.13 . . 2 . . . . 4 HIS HB3 . 1553 1 14 . 1 1 5 5 HIS HD2 H 1 7.25 . . 1 . . . . 4 HIS HD2 . 1553 1 15 . 1 1 5 5 HIS HE1 H 1 8.46 . . 1 . . . . 4 HIS HE1 . 1553 1 16 . 1 1 6 6 VAL H H 1 8.23 . . 1 . . . . 5 VAL H . 1553 1 17 . 1 1 6 6 VAL HA H 1 4.26 . . 1 . . . . 5 VAL HA . 1553 1 18 . 1 1 6 6 VAL HB H 1 2.06 . . 1 . . . . 5 VAL HB . 1553 1 19 . 1 1 6 6 VAL HG11 H 1 .92 . . 1 . . . . 5 VAL HG11 . 1553 1 20 . 1 1 6 6 VAL HG12 H 1 .92 . . 1 . . . . 5 VAL HG12 . 1553 1 21 . 1 1 6 6 VAL HG13 H 1 .92 . . 1 . . . . 5 VAL HG13 . 1553 1 22 . 1 1 6 6 VAL HG21 H 1 .92 . . 1 . . . . 5 VAL HG21 . 1553 1 23 . 1 1 6 6 VAL HG22 H 1 .92 . . 1 . . . . 5 VAL HG22 . 1553 1 24 . 1 1 6 6 VAL HG23 H 1 .92 . . 1 . . . . 5 VAL HG23 . 1553 1 25 . 1 1 7 7 THR H H 1 8.31 . . 1 . . . . 6 THR H . 1553 1 26 . 1 1 7 7 THR HA H 1 4.47 . . 1 . . . . 6 THR HA . 1553 1 27 . 1 1 7 7 THR HB H 1 4.47 . . 1 . . . . 6 THR HB . 1553 1 28 . 1 1 7 7 THR HG21 H 1 1.25 . . 1 . . . . 6 THR HG21 . 1553 1 29 . 1 1 7 7 THR HG22 H 1 1.25 . . 1 . . . . 6 THR HG22 . 1553 1 30 . 1 1 7 7 THR HG23 H 1 1.25 . . 1 . . . . 6 THR HG23 . 1553 1 31 . 1 1 8 8 ASP H H 1 8.53 . . 1 . . . . 7 ASP H . 1553 1 32 . 1 1 8 8 ASP HA H 1 4.48 . . 1 . . . . 7 ASP HA . 1553 1 33 . 1 1 8 8 ASP HB2 H 1 2.67 . . 2 . . . . 7 ASP HB2 . 1553 1 34 . 1 1 8 8 ASP HB3 H 1 2.74 . . 2 . . . . 7 ASP HB3 . 1553 1 35 . 1 1 9 9 GLU H H 1 8.5 . . 1 . . . . 8 GLU H . 1553 1 36 . 1 1 9 9 GLU HA H 1 4.14 . . 1 . . . . 8 GLU HA . 1553 1 37 . 1 1 9 9 GLU HB2 H 1 2.02 . . 1 . . . . 8 GLU HB2 . 1553 1 38 . 1 1 9 9 GLU HB3 H 1 2.02 . . 1 . . . . 8 GLU HB3 . 1553 1 39 . 1 1 9 9 GLU HG2 H 1 2.33 . . 1 . . . . 8 GLU HG2 . 1553 1 40 . 1 1 9 9 GLU HG3 H 1 2.33 . . 1 . . . . 8 GLU HG3 . 1553 1 41 . 1 1 10 10 GLU H H 1 8.11 . . 1 . . . . 9 GLU H . 1553 1 42 . 1 1 10 10 GLU HA H 1 4.15 . . 1 . . . . 9 GLU HA . 1553 1 43 . 1 1 10 10 GLU HB2 H 1 2.02 . . 1 . . . . 9 GLU HB2 . 1553 1 44 . 1 1 10 10 GLU HB3 H 1 2.02 . . 1 . . . . 9 GLU HB3 . 1553 1 45 . 1 1 10 10 GLU HG2 H 1 2.23 . . 2 . . . . 9 GLU HG2 . 1553 1 46 . 1 1 10 10 GLU HG3 H 1 2.32 . . 2 . . . . 9 GLU HG3 . 1553 1 47 . 1 1 11 11 ILE H H 1 8 . . 1 . . . . 10 ILE H . 1553 1 48 . 1 1 11 11 ILE HA H 1 3.82 . . 1 . . . . 10 ILE HA . 1553 1 49 . 1 1 11 11 ILE HB H 1 2 . . 1 . . . . 10 ILE HB . 1553 1 50 . 1 1 11 11 ILE HG12 H 1 1.2 . . 2 . . . . 10 ILE HG12 . 1553 1 51 . 1 1 11 11 ILE HG13 H 1 1.57 . . 2 . . . . 10 ILE HG13 . 1553 1 52 . 1 1 11 11 ILE HG21 H 1 .91 . . 1 . . . . 10 ILE HG21 . 1553 1 53 . 1 1 11 11 ILE HG22 H 1 .91 . . 1 . . . . 10 ILE HG22 . 1553 1 54 . 1 1 11 11 ILE HG23 H 1 .91 . . 1 . . . . 10 ILE HG23 . 1553 1 55 . 1 1 11 11 ILE HD11 H 1 .79 . . 1 . . . . 10 ILE HD11 . 1553 1 56 . 1 1 11 11 ILE HD12 H 1 .79 . . 1 . . . . 10 ILE HD12 . 1553 1 57 . 1 1 11 11 ILE HD13 H 1 .79 . . 1 . . . . 10 ILE HD13 . 1553 1 58 . 1 1 12 12 GLU H H 1 8.29 . . 1 . . . . 11 GLU H . 1553 1 59 . 1 1 12 12 GLU HA H 1 4 . . 1 . . . . 11 GLU HA . 1553 1 60 . 1 1 12 12 GLU HB2 H 1 2.09 . . 1 . . . . 11 GLU HB2 . 1553 1 61 . 1 1 12 12 GLU HB3 H 1 2.09 . . 1 . . . . 11 GLU HB3 . 1553 1 62 . 1 1 12 12 GLU HG2 H 1 2.23 . . 2 . . . . 11 GLU HG2 . 1553 1 63 . 1 1 12 12 GLU HG3 H 1 2.35 . . 2 . . . . 11 GLU HG3 . 1553 1 64 . 1 1 13 13 SER H H 1 7.93 . . 1 . . . . 12 SER H . 1553 1 65 . 1 1 13 13 SER HA H 1 4.23 . . 1 . . . . 12 SER HA . 1553 1 66 . 1 1 13 13 SER HB2 H 1 3.95 . . 2 . . . . 12 SER HB2 . 1553 1 67 . 1 1 13 13 SER HB3 H 1 4 . . 2 . . . . 12 SER HB3 . 1553 1 68 . 1 1 14 14 LEU H H 1 7.91 . . 1 . . . . 13 LEU H . 1553 1 69 . 1 1 14 14 LEU HA H 1 4.16 . . 1 . . . . 13 LEU HA . 1553 1 70 . 1 1 14 14 LEU HB2 H 1 1.66 . . 1 . . . . 13 LEU HB2 . 1553 1 71 . 1 1 14 14 LEU HB3 H 1 1.87 . . 1 . . . . 13 LEU HB3 . 1553 1 72 . 1 1 14 14 LEU HG H 1 1.78 . . 1 . . . . 13 LEU HG . 1553 1 73 . 1 1 14 14 LEU HD11 H 1 .9 . . 1 . . . . 13 LEU HD11 . 1553 1 74 . 1 1 14 14 LEU HD12 H 1 .9 . . 1 . . . . 13 LEU HD12 . 1553 1 75 . 1 1 14 14 LEU HD13 H 1 .9 . . 1 . . . . 13 LEU HD13 . 1553 1 76 . 1 1 14 14 LEU HD21 H 1 .9 . . 1 . . . . 13 LEU HD21 . 1553 1 77 . 1 1 14 14 LEU HD22 H 1 .9 . . 1 . . . . 13 LEU HD22 . 1553 1 78 . 1 1 14 14 LEU HD23 H 1 .9 . . 1 . . . . 13 LEU HD23 . 1553 1 79 . 1 1 15 15 MET H H 1 8.12 . . 1 . . . . 14 MET H . 1553 1 80 . 1 1 15 15 MET HA H 1 4.1 . . 1 . . . . 14 MET HA . 1553 1 81 . 1 1 15 15 MET HB2 H 1 2.08 . . 1 . . . . 14 MET HB2 . 1553 1 82 . 1 1 15 15 MET HB3 H 1 2.08 . . 1 . . . . 14 MET HB3 . 1553 1 83 . 1 1 15 15 MET HG2 H 1 2.46 . . 2 . . . . 14 MET HG2 . 1553 1 84 . 1 1 15 15 MET HG3 H 1 2.6 . . 2 . . . . 14 MET HG3 . 1553 1 85 . 1 1 15 15 MET HE1 H 1 1.99 . . 1 . . . . 14 MET HE1 . 1553 1 86 . 1 1 15 15 MET HE2 H 1 1.99 . . 1 . . . . 14 MET HE2 . 1553 1 87 . 1 1 15 15 MET HE3 H 1 1.99 . . 1 . . . . 14 MET HE3 . 1553 1 88 . 1 1 16 16 LYS H H 1 7.85 . . 1 . . . . 15 LYS H . 1553 1 89 . 1 1 16 16 LYS HA H 1 4.11 . . 1 . . . . 15 LYS HA . 1553 1 90 . 1 1 16 16 LYS HB2 H 1 1.89 . . 1 . . . . 15 LYS HB2 . 1553 1 91 . 1 1 16 16 LYS HB3 H 1 1.89 . . 1 . . . . 15 LYS HB3 . 1553 1 92 . 1 1 16 16 LYS HG2 H 1 1.5 . . 2 . . . . 15 LYS HG2 . 1553 1 93 . 1 1 16 16 LYS HG3 H 1 1.58 . . 2 . . . . 15 LYS HG3 . 1553 1 94 . 1 1 16 16 LYS HD2 H 1 1.69 . . 1 . . . . 15 LYS HD2 . 1553 1 95 . 1 1 16 16 LYS HD3 H 1 1.69 . . 1 . . . . 15 LYS HD3 . 1553 1 96 . 1 1 16 16 LYS HE2 H 1 2.99 . . 1 . . . . 15 LYS HE2 . 1553 1 97 . 1 1 16 16 LYS HE3 H 1 2.99 . . 1 . . . . 15 LYS HE3 . 1553 1 98 . 1 1 17 17 ASP H H 1 7.93 . . 1 . . . . 16 ASP H . 1553 1 99 . 1 1 17 17 ASP HA H 1 4.56 . . 1 . . . . 16 ASP HA . 1553 1 100 . 1 1 17 17 ASP HB2 H 1 2.67 . . 1 . . . . 16 ASP HB2 . 1553 1 101 . 1 1 17 17 ASP HB3 H 1 2.67 . . 1 . . . . 16 ASP HB3 . 1553 1 102 . 1 1 18 18 GLY H H 1 8.16 . . 1 . . . . 17 GLY H . 1553 1 103 . 1 1 18 18 GLY HA2 H 1 3.79 . . 2 . . . . 17 GLY HA2 . 1553 1 104 . 1 1 18 18 GLY HA3 H 1 4.1 . . 2 . . . . 17 GLY HA3 . 1553 1 105 . 1 1 19 19 ASP H H 1 7.74 . . 1 . . . . 18 ASP H . 1553 1 106 . 1 1 19 19 ASP HA H 1 4.71 . . 1 . . . . 18 ASP HA . 1553 1 107 . 1 1 19 19 ASP HB2 H 1 2.43 . . 1 . . . . 18 ASP HB2 . 1553 1 108 . 1 1 19 19 ASP HB3 H 1 3.02 . . 1 . . . . 18 ASP HB3 . 1553 1 109 . 1 1 20 20 LYS H H 1 7.86 . . 1 . . . . 19 LYS H . 1553 1 110 . 1 1 20 20 LYS HA H 1 4.15 . . 1 . . . . 19 LYS HA . 1553 1 111 . 1 1 20 20 LYS HB2 H 1 1.9 . . 2 . . . . 19 LYS HB2 . 1553 1 112 . 1 1 20 20 LYS HB3 H 1 1.94 . . 2 . . . . 19 LYS HB3 . 1553 1 113 . 1 1 20 20 LYS HG2 H 1 1.51 . . 2 . . . . 19 LYS HG2 . 1553 1 114 . 1 1 20 20 LYS HG3 H 1 1.59 . . 2 . . . . 19 LYS HG3 . 1553 1 115 . 1 1 20 20 LYS HD2 H 1 1.69 . . 1 . . . . 19 LYS HD2 . 1553 1 116 . 1 1 20 20 LYS HD3 H 1 1.69 . . 1 . . . . 19 LYS HD3 . 1553 1 117 . 1 1 20 20 LYS HE2 H 1 3.03 . . 1 . . . . 19 LYS HE2 . 1553 1 118 . 1 1 20 20 LYS HE3 H 1 3.03 . . 1 . . . . 19 LYS HE3 . 1553 1 119 . 1 1 21 21 ASN H H 1 7.94 . . 1 . . . . 20 ASN H . 1553 1 120 . 1 1 21 21 ASN HA H 1 4.8 . . 1 . . . . 20 ASN HA . 1553 1 121 . 1 1 21 21 ASN HB2 H 1 3.27 . . 1 . . . . 20 ASN HB2 . 1553 1 122 . 1 1 21 21 ASN HB3 H 1 2.84 . . 1 . . . . 20 ASN HB3 . 1553 1 123 . 1 1 21 21 ASN HD21 H 1 6.7 . . 2 . . . . 20 ASN HD21 . 1553 1 124 . 1 1 21 21 ASN HD22 H 1 7.82 . . 2 . . . . 20 ASN HD22 . 1553 1 125 . 1 1 22 22 ASN H H 1 7.75 . . 1 . . . . 21 ASN H . 1553 1 126 . 1 1 22 22 ASN HA H 1 4.43 . . 1 . . . . 21 ASN HA . 1553 1 127 . 1 1 22 22 ASN HB2 H 1 2.65 . . 2 . . . . 21 ASN HB2 . 1553 1 128 . 1 1 22 22 ASN HB3 H 1 3.05 . . 2 . . . . 21 ASN HB3 . 1553 1 129 . 1 1 22 22 ASN HD21 H 1 6.71 . . 2 . . . . 21 ASN HD21 . 1553 1 130 . 1 1 22 22 ASN HD22 H 1 7.48 . . 2 . . . . 21 ASN HD22 . 1553 1 131 . 1 1 23 23 ASP H H 1 8.38 . . 1 . . . . 22 ASP H . 1553 1 132 . 1 1 23 23 ASP HA H 1 4.71 . . 1 . . . . 22 ASP HA . 1553 1 133 . 1 1 23 23 ASP HB2 H 1 3.06 . . 1 . . . . 22 ASP HB2 . 1553 1 134 . 1 1 23 23 ASP HB3 H 1 2.4 . . 1 . . . . 22 ASP HB3 . 1553 1 135 . 1 1 24 24 GLY H H 1 10.05 . . 1 . . . . 23 GLY H . 1553 1 136 . 1 1 24 24 GLY HA2 H 1 3.53 . . 2 . . . . 23 GLY HA2 . 1553 1 137 . 1 1 24 24 GLY HA3 H 1 4.1 . . 2 . . . . 23 GLY HA3 . 1553 1 138 . 1 1 25 25 ARG H H 1 7.94 . . 1 . . . . 24 ARG H . 1553 1 139 . 1 1 25 25 ARG HA H 1 4.75 . . 1 . . . . 24 ARG HA . 1553 1 140 . 1 1 25 25 ARG HB2 H 1 1.67 . . 1 . . . . 24 ARG HB2 . 1553 1 141 . 1 1 25 25 ARG HB3 H 1 1.67 . . 1 . . . . 24 ARG HB3 . 1553 1 142 . 1 1 25 25 ARG HG2 H 1 1.41 . . 2 . . . . 24 ARG HG2 . 1553 1 143 . 1 1 25 25 ARG HG3 H 1 1.48 . . 2 . . . . 24 ARG HG3 . 1553 1 144 . 1 1 25 25 ARG HD2 H 1 3.1 . . 1 . . . . 24 ARG HD2 . 1553 1 145 . 1 1 25 25 ARG HD3 H 1 3.1 . . 1 . . . . 24 ARG HD3 . 1553 1 146 . 1 1 26 26 ILE H H 1 9.02 . . 1 . . . . 25 ILE H . 1553 1 147 . 1 1 26 26 ILE HA H 1 4.98 . . 1 . . . . 25 ILE HA . 1553 1 148 . 1 1 26 26 ILE HB H 1 2.05 . . 1 . . . . 25 ILE HB . 1553 1 149 . 1 1 26 26 ILE HG12 H 1 1.23 . . 2 . . . . 25 ILE HG12 . 1553 1 150 . 1 1 26 26 ILE HG13 H 1 1.42 . . 2 . . . . 25 ILE HG13 . 1553 1 151 . 1 1 26 26 ILE HG21 H 1 1.05 . . 1 . . . . 25 ILE HG21 . 1553 1 152 . 1 1 26 26 ILE HG22 H 1 1.05 . . 1 . . . . 25 ILE HG22 . 1553 1 153 . 1 1 26 26 ILE HG23 H 1 1.05 . . 1 . . . . 25 ILE HG23 . 1553 1 154 . 1 1 26 26 ILE HD11 H 1 .81 . . 1 . . . . 25 ILE HD11 . 1553 1 155 . 1 1 26 26 ILE HD12 H 1 .81 . . 1 . . . . 25 ILE HD12 . 1553 1 156 . 1 1 26 26 ILE HD13 H 1 .81 . . 1 . . . . 25 ILE HD13 . 1553 1 157 . 1 1 27 27 ASP H H 1 8.86 . . 1 . . . . 26 ASP H . 1553 1 158 . 1 1 27 27 ASP HA H 1 4.98 . . 1 . . . . 26 ASP HA . 1553 1 159 . 1 1 27 27 ASP HB2 H 1 3.22 . . 1 . . . . 26 ASP HB2 . 1553 1 160 . 1 1 27 27 ASP HB3 H 1 2.66 . . 1 . . . . 26 ASP HB3 . 1553 1 161 . 1 1 28 28 PHE H H 1 8.63 . . 1 . . . . 27 PHE H . 1553 1 162 . 1 1 28 28 PHE HA H 1 3.73 . . 1 . . . . 27 PHE HA . 1553 1 163 . 1 1 28 28 PHE HB2 H 1 2.98 . . 1 . . . . 27 PHE HB2 . 1553 1 164 . 1 1 28 28 PHE HB3 H 1 2.91 . . 1 . . . . 27 PHE HB3 . 1553 1 165 . 1 1 28 28 PHE HD1 H 1 6.94 . . 1 . . . . 27 PHE HD1 . 1553 1 166 . 1 1 28 28 PHE HD2 H 1 6.94 . . 1 . . . . 27 PHE HD2 . 1553 1 167 . 1 1 28 28 PHE HE1 H 1 7.28 . . 1 . . . . 27 PHE HE1 . 1553 1 168 . 1 1 28 28 PHE HE2 H 1 7.28 . . 1 . . . . 27 PHE HE2 . 1553 1 169 . 1 1 28 28 PHE HZ H 1 7.35 . . 1 . . . . 27 PHE HZ . 1553 1 170 . 1 1 29 29 ASP H H 1 7.99 . . 1 . . . . 28 ASP H . 1553 1 171 . 1 1 29 29 ASP HA H 1 4.19 . . 1 . . . . 28 ASP HA . 1553 1 172 . 1 1 29 29 ASP HB2 H 1 2.64 . . 1 . . . . 28 ASP HB2 . 1553 1 173 . 1 1 29 29 ASP HB3 H 1 2.71 . . 1 . . . . 28 ASP HB3 . 1553 1 174 . 1 1 30 30 GLU H H 1 8.45 . . 1 . . . . 29 GLU H . 1553 1 175 . 1 1 30 30 GLU HA H 1 3.96 . . 1 . . . . 29 GLU HA . 1553 1 176 . 1 1 30 30 GLU HB2 H 1 2.5 . . 1 . . . . 29 GLU HB2 . 1553 1 177 . 1 1 30 30 GLU HB3 H 1 2.22 . . 1 . . . . 29 GLU HB3 . 1553 1 178 . 1 1 30 30 GLU HG2 H 1 2.28 . . 2 . . . . 29 GLU HG2 . 1553 1 179 . 1 1 30 30 GLU HG3 H 1 2.85 . . 2 . . . . 29 GLU HG3 . 1553 1 180 . 1 1 31 31 PHE H H 1 8.83 . . 1 . . . . 30 PHE H . 1553 1 181 . 1 1 31 31 PHE HA H 1 4.04 . . 1 . . . . 30 PHE HA . 1553 1 182 . 1 1 31 31 PHE HB2 H 1 2.99 . . 1 . . . . 30 PHE HB2 . 1553 1 183 . 1 1 31 31 PHE HB3 H 1 3.09 . . 1 . . . . 30 PHE HB3 . 1553 1 184 . 1 1 31 31 PHE HD1 H 1 6.85 . . 1 . . . . 30 PHE HD1 . 1553 1 185 . 1 1 31 31 PHE HD2 H 1 6.85 . . 1 . . . . 30 PHE HD2 . 1553 1 186 . 1 1 31 31 PHE HE1 H 1 7.18 . . 1 . . . . 30 PHE HE1 . 1553 1 187 . 1 1 31 31 PHE HE2 H 1 7.18 . . 1 . . . . 30 PHE HE2 . 1553 1 188 . 1 1 31 31 PHE HZ H 1 7.19 . . 1 . . . . 30 PHE HZ . 1553 1 189 . 1 1 32 32 LEU H H 1 8.22 . . 1 . . . . 31 LEU H . 1553 1 190 . 1 1 32 32 LEU HA H 1 3.57 . . 1 . . . . 31 LEU HA . 1553 1 191 . 1 1 32 32 LEU HB2 H 1 1.6 . . 1 . . . . 31 LEU HB2 . 1553 1 192 . 1 1 32 32 LEU HB3 H 1 1.6 . . 1 . . . . 31 LEU HB3 . 1553 1 193 . 1 1 32 32 LEU HG H 1 1.3 . . 1 . . . . 31 LEU HG . 1553 1 194 . 1 1 32 32 LEU HD11 H 1 .63 . . 2 . . . . 31 LEU HD11 . 1553 1 195 . 1 1 32 32 LEU HD12 H 1 .63 . . 2 . . . . 31 LEU HD12 . 1553 1 196 . 1 1 32 32 LEU HD13 H 1 .63 . . 2 . . . . 31 LEU HD13 . 1553 1 197 . 1 1 32 32 LEU HD21 H 1 .72 . . 2 . . . . 31 LEU HD21 . 1553 1 198 . 1 1 32 32 LEU HD22 H 1 .72 . . 2 . . . . 31 LEU HD22 . 1553 1 199 . 1 1 32 32 LEU HD23 H 1 .72 . . 2 . . . . 31 LEU HD23 . 1553 1 200 . 1 1 33 33 LYS H H 1 7.51 . . 1 . . . . 32 LYS H . 1553 1 201 . 1 1 33 33 LYS HA H 1 4 . . 1 . . . . 32 LYS HA . 1553 1 202 . 1 1 33 33 LYS HB2 H 1 1.85 . . 1 . . . . 32 LYS HB2 . 1553 1 203 . 1 1 33 33 LYS HB3 H 1 1.85 . . 1 . . . . 32 LYS HB3 . 1553 1 204 . 1 1 33 33 LYS HG2 H 1 1.46 . . 2 . . . . 32 LYS HG2 . 1553 1 205 . 1 1 33 33 LYS HG3 H 1 1.54 . . 2 . . . . 32 LYS HG3 . 1553 1 206 . 1 1 33 33 LYS HD2 H 1 1.64 . . 1 . . . . 32 LYS HD2 . 1553 1 207 . 1 1 33 33 LYS HD3 H 1 1.64 . . 1 . . . . 32 LYS HD3 . 1553 1 208 . 1 1 33 33 LYS HE2 H 1 2.95 . . 1 . . . . 32 LYS HE2 . 1553 1 209 . 1 1 33 33 LYS HE3 H 1 2.95 . . 1 . . . . 32 LYS HE3 . 1553 1 210 . 1 1 34 34 MET H H 1 7.82 . . 1 . . . . 33 MET H . 1553 1 211 . 1 1 34 34 MET HA H 1 4.11 . . 1 . . . . 33 MET HA . 1553 1 212 . 1 1 34 34 MET HB2 H 1 2.04 . . 1 . . . . 33 MET HB2 . 1553 1 213 . 1 1 34 34 MET HB3 H 1 2.15 . . 1 . . . . 33 MET HB3 . 1553 1 214 . 1 1 34 34 MET HG2 H 1 2.47 . . 2 . . . . 33 MET HG2 . 1553 1 215 . 1 1 34 34 MET HG3 H 1 2.55 . . 2 . . . . 33 MET HG3 . 1553 1 216 . 1 1 34 34 MET HE1 H 1 1.96 . . 1 . . . . 33 MET HE1 . 1553 1 217 . 1 1 34 34 MET HE2 H 1 1.96 . . 1 . . . . 33 MET HE2 . 1553 1 218 . 1 1 34 34 MET HE3 H 1 1.96 . . 1 . . . . 33 MET HE3 . 1553 1 219 . 1 1 35 35 MET H H 1 7.62 . . 1 . . . . 34 MET H . 1553 1 220 . 1 1 35 35 MET HA H 1 4.11 . . 1 . . . . 34 MET HA . 1553 1 221 . 1 1 35 35 MET HB2 H 1 2.05 . . 1 . . . . 34 MET HB2 . 1553 1 222 . 1 1 35 35 MET HB3 H 1 2.05 . . 1 . . . . 34 MET HB3 . 1553 1 223 . 1 1 35 35 MET HG2 H 1 2.25 . . 2 . . . . 34 MET HG2 . 1553 1 224 . 1 1 35 35 MET HG3 H 1 2.39 . . 2 . . . . 34 MET HG3 . 1553 1 225 . 1 1 35 35 MET HE1 H 1 1.86 . . 1 . . . . 34 MET HE1 . 1553 1 226 . 1 1 35 35 MET HE2 H 1 1.86 . . 1 . . . . 34 MET HE2 . 1553 1 227 . 1 1 35 35 MET HE3 H 1 1.86 . . 1 . . . . 34 MET HE3 . 1553 1 228 . 1 1 36 36 GLU H H 1 7.62 . . 1 . . . . 35 GLU H . 1553 1 229 . 1 1 36 36 GLU HA H 1 4.29 . . 1 . . . . 35 GLU HA . 1553 1 230 . 1 1 36 36 GLU HB2 H 1 1.87 . . 1 . . . . 35 GLU HB2 . 1553 1 231 . 1 1 36 36 GLU HB3 H 1 1.76 . . 1 . . . . 35 GLU HB3 . 1553 1 232 . 1 1 36 36 GLU HG2 H 1 2 . . 1 . . . . 35 GLU HG2 . 1553 1 233 . 1 1 36 36 GLU HG3 H 1 2 . . 1 . . . . 35 GLU HG3 . 1553 1 234 . 1 1 37 37 GLY H H 1 8.01 . . 1 . . . . 36 GLY H . 1553 1 235 . 1 1 37 37 GLY HA2 H 1 3.95 . . 2 . . . . 36 GLY HA2 . 1553 1 236 . 1 1 37 37 GLY HA3 H 1 4 . . 2 . . . . 36 GLY HA3 . 1553 1 237 . 1 1 38 38 VAL H H 1 7.62 . . 1 . . . . 37 VAL H . 1553 1 238 . 1 1 38 38 VAL HA H 1 4.15 . . 1 . . . . 37 VAL HA . 1553 1 239 . 1 1 38 38 VAL HB H 1 2.15 . . 1 . . . . 37 VAL HB . 1553 1 240 . 1 1 38 38 VAL HG11 H 1 .92 . . 1 . . . . 37 VAL HG11 . 1553 1 241 . 1 1 38 38 VAL HG12 H 1 .92 . . 1 . . . . 37 VAL HG12 . 1553 1 242 . 1 1 38 38 VAL HG13 H 1 .92 . . 1 . . . . 37 VAL HG13 . 1553 1 243 . 1 1 38 38 VAL HG21 H 1 .92 . . 1 . . . . 37 VAL HG21 . 1553 1 244 . 1 1 38 38 VAL HG22 H 1 .92 . . 1 . . . . 37 VAL HG22 . 1553 1 245 . 1 1 38 38 VAL HG23 H 1 .92 . . 1 . . . . 37 VAL HG23 . 1553 1 246 . 1 1 39 39 GLN H H 1 7.81 . . 1 . . . . 38 GLN H . 1553 1 247 . 1 1 39 39 GLN HA H 1 4.16 . . 1 . . . . 38 GLN HA . 1553 1 248 . 1 1 39 39 GLN HB2 H 1 1.93 . . 1 . . . . 38 GLN HB2 . 1553 1 249 . 1 1 39 39 GLN HB3 H 1 1.93 . . 1 . . . . 38 GLN HB3 . 1553 1 250 . 1 1 39 39 GLN HG2 H 1 2.29 . . 1 . . . . 38 GLN HG2 . 1553 1 251 . 1 1 39 39 GLN HG3 H 1 2.29 . . 1 . . . . 38 GLN HG3 . 1553 1 252 . 1 1 39 39 GLN HE21 H 1 6.85 . . 2 . . . . 38 GLN HE21 . 1553 1 253 . 1 1 39 39 GLN HE22 H 1 7.4 . . 2 . . . . 38 GLN HE22 . 1553 1 stop_ save_