################################### # 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 25458 _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 2 '2D 1H-1H NOESY' . . . 25458 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 ACE H1 H 1 2.07 0.01 . 1 . . . A 1 ACE H1 . 25458 1 2 . 1 1 2 2 SER H H 1 7.55 0.01 . 1 . . . A 2 SER H . 25458 1 3 . 1 1 2 2 SER HA H 1 4.41 0.01 . 1 . . . A 2 SER HA . 25458 1 4 . 1 1 2 2 SER HB2 H 1 4.02 0.01 . 2 . . . A 2 SER HB2 . 25458 1 5 . 1 1 2 2 SER HB3 H 1 3.86 0.01 . 2 . . . A 2 SER HB3 . 25458 1 6 . 1 1 3 3 LYS H H 1 8.31 0.01 . 1 . . . A 3 LYS H . 25458 1 7 . 1 1 3 3 LYS HA H 1 4.14 0.01 . 1 . . . A 3 LYS HA . 25458 1 8 . 1 1 3 3 LYS HB2 H 1 1.90 0.01 . 2 . . . A 3 LYS HB2 . 25458 1 9 . 1 1 3 3 LYS HB3 H 1 1.86 0.01 . 2 . . . A 3 LYS HB3 . 25458 1 10 . 1 1 3 3 LYS HG2 H 1 1.58 0.01 . 2 . . . A 3 LYS HG2 . 25458 1 11 . 1 1 3 3 LYS HG3 H 1 1.52 0.01 . 2 . . . A 3 LYS HG3 . 25458 1 12 . 1 1 3 3 LYS HD2 H 1 1.75 0.01 . 1 . . . A 3 LYS HD2 . 25458 1 13 . 1 1 3 3 LYS HD3 H 1 1.75 0.01 . 1 . . . A 3 LYS HD3 . 25458 1 14 . 1 1 3 3 LYS HE2 H 1 3.02 0.01 . 1 . . . A 3 LYS HE2 . 25458 1 15 . 1 1 3 3 LYS HE3 H 1 3.02 0.01 . 1 . . . A 3 LYS HE3 . 25458 1 16 . 1 1 4 4 LEU H H 1 7.65 0.01 . 1 . . . A 4 LEU H . 25458 1 17 . 1 1 4 4 LEU HA H 1 4.20 0.01 . 1 . . . A 4 LEU HA . 25458 1 18 . 1 1 4 4 LEU HB2 H 1 1.76 0.01 . 2 . . . A 4 LEU HB2 . 25458 1 19 . 1 1 4 4 LEU HB3 H 1 1.64 0.01 . 2 . . . A 4 LEU HB3 . 25458 1 20 . 1 1 4 4 LEU HG H 1 1.68 0.01 . 1 . . . A 4 LEU HG . 25458 1 21 . 1 1 4 4 LEU HD11 H 1 0.98 0.01 . 2 . . . A 4 LEU HD11 . 25458 1 22 . 1 1 4 4 LEU HD12 H 1 0.98 0.01 . 2 . . . A 4 LEU HD12 . 25458 1 23 . 1 1 4 4 LEU HD13 H 1 0.98 0.01 . 2 . . . A 4 LEU HD13 . 25458 1 24 . 1 1 4 4 LEU HD21 H 1 0.91 0.01 . 2 . . . A 4 LEU HD21 . 25458 1 25 . 1 1 4 4 LEU HD22 H 1 0.91 0.01 . 2 . . . A 4 LEU HD22 . 25458 1 26 . 1 1 4 4 LEU HD23 H 1 0.91 0.01 . 2 . . . A 4 LEU HD23 . 25458 1 27 . 1 1 5 5 LEU H H 1 7.55 0.01 . 1 . . . A 5 LEU H . 25458 1 28 . 1 1 5 5 LEU HA H 1 4.25 0.01 . 1 . . . A 5 LEU HA . 25458 1 29 . 1 1 5 5 LEU HB2 H 1 1.78 0.01 . 2 . . . A 5 LEU HB2 . 25458 1 30 . 1 1 5 5 LEU HB3 H 1 1.69 0.01 . 2 . . . A 5 LEU HB3 . 25458 1 31 . 1 1 5 5 LEU HG H 1 1.72 0.01 . 1 . . . A 5 LEU HG . 25458 1 32 . 1 1 5 5 LEU HD11 H 1 0.98 0.01 . 2 . . . A 5 LEU HD11 . 25458 1 33 . 1 1 5 5 LEU HD12 H 1 0.98 0.01 . 2 . . . A 5 LEU HD12 . 25458 1 34 . 1 1 5 5 LEU HD13 H 1 0.98 0.01 . 2 . . . A 5 LEU HD13 . 25458 1 35 . 1 1 5 5 LEU HD21 H 1 0.92 0.01 . 2 . . . A 5 LEU HD21 . 25458 1 36 . 1 1 5 5 LEU HD22 H 1 0.92 0.01 . 2 . . . A 5 LEU HD22 . 25458 1 37 . 1 1 5 5 LEU HD23 H 1 0.92 0.01 . 2 . . . A 5 LEU HD23 . 25458 1 38 . 1 1 6 6 LEU H H 1 7.86 0.01 . 1 . . . A 6 LEU H . 25458 1 39 . 1 1 6 6 LEU HA H 1 4.27 0.01 . 1 . . . A 6 LEU HA . 25458 1 40 . 1 1 6 6 LEU HB2 H 1 1.77 0.01 . 2 . . . A 6 LEU HB2 . 25458 1 41 . 1 1 6 6 LEU HB3 H 1 1.71 0.01 . 2 . . . A 6 LEU HB3 . 25458 1 42 . 1 1 6 6 LEU HG H 1 1.79 0.01 . 1 . . . A 6 LEU HG . 25458 1 43 . 1 1 6 6 LEU HD11 H 1 0.92 0.01 . 1 . . . A 6 LEU HD11 . 25458 1 44 . 1 1 6 6 LEU HD12 H 1 0.92 0.01 . 1 . . . A 6 LEU HD12 . 25458 1 45 . 1 1 6 6 LEU HD13 H 1 0.92 0.01 . 1 . . . A 6 LEU HD13 . 25458 1 46 . 1 1 6 6 LEU HD21 H 1 0.92 0.01 . 1 . . . A 6 LEU HD21 . 25458 1 47 . 1 1 6 6 LEU HD22 H 1 0.92 0.01 . 1 . . . A 6 LEU HD22 . 25458 1 48 . 1 1 6 6 LEU HD23 H 1 0.92 0.01 . 1 . . . A 6 LEU HD23 . 25458 1 49 . 1 1 7 7 ASN H H 1 8.03 0.01 . 1 . . . A 7 ASN H . 25458 1 50 . 1 1 7 7 ASN HA H 1 4.61 0.01 . 1 . . . A 7 ASN HA . 25458 1 51 . 1 1 7 7 ASN HB2 H 1 2.91 0.01 . 1 . . . A 7 ASN HB2 . 25458 1 52 . 1 1 7 7 ASN HB3 H 1 2.91 0.01 . 1 . . . A 7 ASN HB3 . 25458 1 53 . 1 1 7 7 ASN HD21 H 1 7.49 0.01 . 2 . . . A 7 ASN HD21 . 25458 1 54 . 1 1 7 7 ASN HD22 H 1 6.63 0.01 . 2 . . . A 7 ASN HD22 . 25458 1 55 . 1 1 8 8 GLY H H 1 8.17 0.01 . 1 . . . A 8 GLY H . 25458 1 56 . 1 1 8 8 GLY HA2 H 1 3.95 0.01 . 1 . . . A 8 GLY HA2 . 25458 1 57 . 1 1 8 8 GLY HA3 H 1 3.95 0.01 . 1 . . . A 8 GLY HA3 . 25458 1 58 . 1 1 9 9 PHE H H 1 8.29 0.01 . 1 . . . A 9 PHE H . 25458 1 59 . 1 1 9 9 PHE HA H 1 4.40 0.01 . 1 . . . A 9 PHE HA . 25458 1 60 . 1 1 9 9 PHE HB2 H 1 3.30 0.01 . 2 . . . A 9 PHE HB2 . 25458 1 61 . 1 1 9 9 PHE HB3 H 1 3.24 0.01 . 2 . . . A 9 PHE HB3 . 25458 1 62 . 1 1 9 9 PHE HD1 H 1 7.30 0.01 . 3 . . . A 9 PHE HD1 . 25458 1 63 . 1 1 9 9 PHE HD2 H 1 7.30 0.01 . 3 . . . A 9 PHE HD2 . 25458 1 64 . 1 1 9 9 PHE HE1 H 1 7.20 0.01 . 3 . . . A 9 PHE HE1 . 25458 1 65 . 1 1 9 9 PHE HE2 H 1 7.20 0.01 . 3 . . . A 9 PHE HE2 . 25458 1 66 . 1 1 10 10 ASP H H 1 8.63 0.01 . 1 . . . A 10 ASP H . 25458 1 67 . 1 1 10 10 ASP HA H 1 4.57 0.01 . 1 . . . A 10 ASP HA . 25458 1 68 . 1 1 10 10 ASP HB2 H 1 3.18 0.01 . 2 . . . A 10 ASP HB2 . 25458 1 69 . 1 1 10 10 ASP HB3 H 1 3.00 0.01 . 2 . . . A 10 ASP HB3 . 25458 1 70 . 1 1 11 11 ASP H H 1 8.47 0.01 . 1 . . . A 11 ASP H . 25458 1 71 . 1 1 11 11 ASP HA H 1 4.62 0.01 . 1 . . . A 11 ASP HA . 25458 1 72 . 1 1 11 11 ASP HB2 H 1 3.22 0.01 . 2 . . . A 11 ASP HB2 . 25458 1 73 . 1 1 11 11 ASP HB3 H 1 2.94 0.01 . 2 . . . A 11 ASP HB3 . 25458 1 74 . 1 1 12 12 VAL H H 1 8.27 0.01 . 1 . . . A 12 VAL H . 25458 1 75 . 1 1 12 12 VAL HA H 1 3.86 0.01 . 1 . . . A 12 VAL HA . 25458 1 76 . 1 1 12 12 VAL HB H 1 2.15 0.01 . 1 . . . A 12 VAL HB . 25458 1 77 . 1 1 12 12 VAL HG11 H 1 1.09 0.01 . 2 . . . A 12 VAL HG11 . 25458 1 78 . 1 1 12 12 VAL HG12 H 1 1.09 0.01 . 2 . . . A 12 VAL HG12 . 25458 1 79 . 1 1 12 12 VAL HG13 H 1 1.09 0.01 . 2 . . . A 12 VAL HG13 . 25458 1 80 . 1 1 12 12 VAL HG21 H 1 0.92 0.01 . 2 . . . A 12 VAL HG21 . 25458 1 81 . 1 1 12 12 VAL HG22 H 1 0.92 0.01 . 2 . . . A 12 VAL HG22 . 25458 1 82 . 1 1 12 12 VAL HG23 H 1 0.92 0.01 . 2 . . . A 12 VAL HG23 . 25458 1 83 . 1 1 13 13 HIS H H 1 8.04 0.01 . 1 . . . A 13 HIS H . 25458 1 84 . 1 1 13 13 HIS HA H 1 4.36 0.01 . 1 . . . A 13 HIS HA . 25458 1 85 . 1 1 13 13 HIS HB2 H 1 3.25 0.01 . 2 . . . A 13 HIS HB2 . 25458 1 86 . 1 1 13 13 HIS HB3 H 1 3.15 0.01 . 2 . . . A 13 HIS HB3 . 25458 1 87 . 1 1 13 13 HIS HD2 H 1 7.12 0.01 . 1 . . . A 13 HIS HD2 . 25458 1 88 . 1 1 13 13 HIS HE1 H 1 8.02 0.01 . 1 . . . A 13 HIS HE1 . 25458 1 89 . 1 1 14 14 PHE H H 1 8.46 0.01 . 1 . . . A 14 PHE H . 25458 1 90 . 1 1 14 14 PHE HA H 1 4.45 0.01 . 1 . . . A 14 PHE HA . 25458 1 91 . 1 1 14 14 PHE HB2 H 1 3.34 0.01 . 1 . . . A 14 PHE HB2 . 25458 1 92 . 1 1 14 14 PHE HB3 H 1 3.34 0.01 . 1 . . . A 14 PHE HB3 . 25458 1 93 . 1 1 14 14 PHE HD1 H 1 7.31 0.01 . 3 . . . A 14 PHE HD1 . 25458 1 94 . 1 1 14 14 PHE HD2 H 1 7.31 0.01 . 3 . . . A 14 PHE HD2 . 25458 1 95 . 1 1 14 14 PHE HE1 H 1 7.37 0.01 . 3 . . . A 14 PHE HE1 . 25458 1 96 . 1 1 14 14 PHE HE2 H 1 7.37 0.01 . 3 . . . A 14 PHE HE2 . 25458 1 97 . 1 1 15 15 LEU H H 1 8.50 0.01 . 1 . . . A 15 LEU H . 25458 1 98 . 1 1 15 15 LEU HA H 1 4.13 0.01 . 1 . . . A 15 LEU HA . 25458 1 99 . 1 1 15 15 LEU HB2 H 1 1.89 0.01 . 2 . . . A 15 LEU HB2 . 25458 1 100 . 1 1 15 15 LEU HB3 H 1 1.71 0.01 . 2 . . . A 15 LEU HB3 . 25458 1 101 . 1 1 15 15 LEU HG H 1 1.87 0.01 . 1 . . . A 15 LEU HG . 25458 1 102 . 1 1 15 15 LEU HD11 H 1 0.98 0.01 . 1 . . . A 15 LEU HD11 . 25458 1 103 . 1 1 15 15 LEU HD12 H 1 0.98 0.01 . 1 . . . A 15 LEU HD12 . 25458 1 104 . 1 1 15 15 LEU HD13 H 1 0.98 0.01 . 1 . . . A 15 LEU HD13 . 25458 1 105 . 1 1 15 15 LEU HD21 H 1 0.98 0.01 . 1 . . . A 15 LEU HD21 . 25458 1 106 . 1 1 15 15 LEU HD22 H 1 0.98 0.01 . 1 . . . A 15 LEU HD22 . 25458 1 107 . 1 1 15 15 LEU HD23 H 1 0.98 0.01 . 1 . . . A 15 LEU HD23 . 25458 1 108 . 1 1 16 16 GLY H H 1 8.47 0.01 . 1 . . . A 16 GLY H . 25458 1 109 . 1 1 16 16 GLY HA2 H 1 3.85 0.01 . 1 . . . A 16 GLY HA2 . 25458 1 110 . 1 1 16 16 GLY HA3 H 1 3.85 0.01 . 1 . . . A 16 GLY HA3 . 25458 1 111 . 1 1 17 17 SER H H 1 7.99 0.01 . 1 . . . A 17 SER H . 25458 1 112 . 1 1 17 17 SER HA H 1 4.29 0.01 . 1 . . . A 17 SER HA . 25458 1 113 . 1 1 17 17 SER HB2 H 1 4.02 0.01 . 1 . . . A 17 SER HB2 . 25458 1 114 . 1 1 17 17 SER HB3 H 1 4.02 0.01 . 1 . . . A 17 SER HB3 . 25458 1 115 . 1 1 18 18 ASN H H 1 7.81 0.01 . 1 . . . A 18 ASN H . 25458 1 116 . 1 1 18 18 ASN HA H 1 4.51 0.01 . 1 . . . A 18 ASN HA . 25458 1 117 . 1 1 18 18 ASN HB2 H 1 2.85 0.01 . 2 . . . A 18 ASN HB2 . 25458 1 118 . 1 1 18 18 ASN HB3 H 1 2.67 0.01 . 2 . . . A 18 ASN HB3 . 25458 1 119 . 1 1 18 18 ASN HD21 H 1 6.91 0.01 . 2 . . . A 18 ASN HD21 . 25458 1 120 . 1 1 18 18 ASN HD22 H 1 5.70 0.01 . 2 . . . A 18 ASN HD22 . 25458 1 121 . 1 1 19 19 VAL H H 1 8.20 0.01 . 1 . . . A 19 VAL H . 25458 1 122 . 1 1 19 19 VAL HA H 1 3.73 0.01 . 1 . . . A 19 VAL HA . 25458 1 123 . 1 1 19 19 VAL HB H 1 2.23 0.01 . 1 . . . A 19 VAL HB . 25458 1 124 . 1 1 19 19 VAL HG11 H 1 1.09 0.01 . 2 . . . A 19 VAL HG11 . 25458 1 125 . 1 1 19 19 VAL HG12 H 1 1.09 0.01 . 2 . . . A 19 VAL HG12 . 25458 1 126 . 1 1 19 19 VAL HG13 H 1 1.09 0.01 . 2 . . . A 19 VAL HG13 . 25458 1 127 . 1 1 19 19 VAL HG21 H 1 0.99 0.01 . 2 . . . A 19 VAL HG21 . 25458 1 128 . 1 1 19 19 VAL HG22 H 1 0.99 0.01 . 2 . . . A 19 VAL HG22 . 25458 1 129 . 1 1 19 19 VAL HG23 H 1 0.99 0.01 . 2 . . . A 19 VAL HG23 . 25458 1 130 . 1 1 20 20 MET H H 1 8.13 0.01 . 1 . . . A 20 MET H . 25458 1 131 . 1 1 20 20 MET HA H 1 4.22 0.01 . 1 . . . A 20 MET HA . 25458 1 132 . 1 1 20 20 MET HB2 H 1 2.21 0.01 . 1 . . . A 20 MET HB2 . 25458 1 133 . 1 1 20 20 MET HB3 H 1 2.21 0.01 . 1 . . . A 20 MET HB3 . 25458 1 134 . 1 1 20 20 MET HG2 H 1 2.71 0.01 . 2 . . . A 20 MET HG2 . 25458 1 135 . 1 1 20 20 MET HG3 H 1 2.60 0.01 . 2 . . . A 20 MET HG3 . 25458 1 136 . 1 1 21 21 GLU H H 1 8.13 0.01 . 1 . . . A 21 GLU H . 25458 1 137 . 1 1 21 21 GLU HA H 1 4.13 0.01 . 1 . . . A 21 GLU HA . 25458 1 138 . 1 1 21 21 GLU HB2 H 1 2.29 0.01 . 2 . . . A 21 GLU HB2 . 25458 1 139 . 1 1 21 21 GLU HB3 H 1 2.21 0.01 . 2 . . . A 21 GLU HB3 . 25458 1 140 . 1 1 21 21 GLU HG2 H 1 2.61 0.01 . 2 . . . A 21 GLU HG2 . 25458 1 141 . 1 1 21 21 GLU HG3 H 1 2.52 0.01 . 2 . . . A 21 GLU HG3 . 25458 1 142 . 1 1 22 22 GLU H H 1 8.22 0.01 . 1 . . . A 22 GLU H . 25458 1 143 . 1 1 22 22 GLU HA H 1 4.06 0.01 . 1 . . . A 22 GLU HA . 25458 1 144 . 1 1 22 22 GLU HB2 H 1 2.30 0.01 . 1 . . . A 22 GLU HB2 . 25458 1 145 . 1 1 22 22 GLU HB3 H 1 2.30 0.01 . 1 . . . A 22 GLU HB3 . 25458 1 146 . 1 1 22 22 GLU HG2 H 1 2.70 0.01 . 2 . . . A 22 GLU HG2 . 25458 1 147 . 1 1 22 22 GLU HG3 H 1 2.52 0.01 . 2 . . . A 22 GLU HG3 . 25458 1 148 . 1 1 23 23 GLN H H 1 8.28 0.01 . 1 . . . A 23 GLN H . 25458 1 149 . 1 1 23 23 GLN HA H 1 4.02 0.01 . 1 . . . A 23 GLN HA . 25458 1 150 . 1 1 23 23 GLN HB2 H 1 2.30 0.01 . 2 . . . A 23 GLN HB2 . 25458 1 151 . 1 1 23 23 GLN HB3 H 1 2.23 0.01 . 2 . . . A 23 GLN HB3 . 25458 1 152 . 1 1 23 23 GLN HG2 H 1 2.51 0.01 . 1 . . . A 23 GLN HG2 . 25458 1 153 . 1 1 23 23 GLN HG3 H 1 2.51 0.01 . 1 . . . A 23 GLN HG3 . 25458 1 154 . 1 1 23 23 GLN HE21 H 1 7.08 0.01 . 2 . . . A 23 GLN HE21 . 25458 1 155 . 1 1 23 23 GLN HE22 H 1 6.48 0.01 . 2 . . . A 23 GLN HE22 . 25458 1 156 . 1 1 24 24 ASP H H 1 8.38 0.01 . 1 . . . A 24 ASP H . 25458 1 157 . 1 1 24 24 ASP HA H 1 4.52 0.01 . 1 . . . A 24 ASP HA . 25458 1 158 . 1 1 24 24 ASP HB2 H 1 3.21 0.01 . 2 . . . A 24 ASP HB2 . 25458 1 159 . 1 1 24 24 ASP HB3 H 1 2.86 0.01 . 2 . . . A 24 ASP HB3 . 25458 1 160 . 1 1 25 25 LEU H H 1 8.30 0.01 . 1 . . . A 25 LEU H . 25458 1 161 . 1 1 25 25 LEU HB2 H 1 2.01 0.01 . 2 . . . A 25 LEU HB2 . 25458 1 162 . 1 1 25 25 LEU HB3 H 1 1.90 0.01 . 2 . . . A 25 LEU HB3 . 25458 1 163 . 1 1 25 25 LEU HG H 1 1.90 0.01 . 1 . . . A 25 LEU HG . 25458 1 164 . 1 1 25 25 LEU HD11 H 1 0.95 0.01 . 2 . . . A 25 LEU HD11 . 25458 1 165 . 1 1 25 25 LEU HD12 H 1 0.95 0.01 . 2 . . . A 25 LEU HD12 . 25458 1 166 . 1 1 25 25 LEU HD13 H 1 0.95 0.01 . 2 . . . A 25 LEU HD13 . 25458 1 167 . 1 1 25 25 LEU HD21 H 1 0.93 0.01 . 2 . . . A 25 LEU HD21 . 25458 1 168 . 1 1 25 25 LEU HD22 H 1 0.93 0.01 . 2 . . . A 25 LEU HD22 . 25458 1 169 . 1 1 25 25 LEU HD23 H 1 0.93 0.01 . 2 . . . A 25 LEU HD23 . 25458 1 170 . 1 1 26 26 ARG H H 1 8.09 0.01 . 1 . . . A 26 ARG H . 25458 1 171 . 1 1 26 26 ARG HA H 1 4.10 0.01 . 1 . . . A 26 ARG HA . 25458 1 172 . 1 1 26 26 ARG HB2 H 1 2.02 0.01 . 1 . . . A 26 ARG HB2 . 25458 1 173 . 1 1 26 26 ARG HB3 H 1 2.02 0.01 . 1 . . . A 26 ARG HB3 . 25458 1 174 . 1 1 26 26 ARG HG2 H 1 1.90 0.01 . 2 . . . A 26 ARG HG2 . 25458 1 175 . 1 1 26 26 ARG HG3 H 1 1.67 0.01 . 2 . . . A 26 ARG HG3 . 25458 1 176 . 1 1 26 26 ARG HD2 H 1 3.23 0.01 . 1 . . . A 26 ARG HD2 . 25458 1 177 . 1 1 26 26 ARG HD3 H 1 3.23 0.01 . 1 . . . A 26 ARG HD3 . 25458 1 178 . 1 1 26 26 ARG HE H 1 7.01 0.01 . 1 . . . A 26 ARG HE . 25458 1 179 . 1 1 27 27 ASP H H 1 8.28 0.01 . 1 . . . A 27 ASP H . 25458 1 180 . 1 1 27 27 ASP HA H 1 4.56 0.01 . 1 . . . A 27 ASP HA . 25458 1 181 . 1 1 27 27 ASP HB2 H 1 2.97 0.01 . 2 . . . A 27 ASP HB2 . 25458 1 182 . 1 1 27 27 ASP HB3 H 1 2.93 0.01 . 2 . . . A 27 ASP HB3 . 25458 1 183 . 1 1 28 28 ILE H H 1 8.26 0.01 . 1 . . . A 28 ILE H . 25458 1 184 . 1 1 28 28 ILE HA H 1 3.89 0.01 . 1 . . . A 28 ILE HA . 25458 1 185 . 1 1 28 28 ILE HB H 1 2.02 0.01 . 1 . . . A 28 ILE HB . 25458 1 186 . 1 1 28 28 ILE HG12 H 1 1.81 0.01 . 2 . . . A 28 ILE HG12 . 25458 1 187 . 1 1 28 28 ILE HG13 H 1 1.23 0.01 . 2 . . . A 28 ILE HG13 . 25458 1 188 . 1 1 28 28 ILE HG21 H 1 0.98 0.01 . 1 . . . A 28 ILE HG21 . 25458 1 189 . 1 1 28 28 ILE HG22 H 1 0.98 0.01 . 1 . . . A 28 ILE HG22 . 25458 1 190 . 1 1 28 28 ILE HG23 H 1 0.98 0.01 . 1 . . . A 28 ILE HG23 . 25458 1 191 . 1 1 28 28 ILE HD11 H 1 0.92 0.01 . 1 . . . A 28 ILE HD11 . 25458 1 192 . 1 1 28 28 ILE HD12 H 1 0.92 0.01 . 1 . . . A 28 ILE HD12 . 25458 1 193 . 1 1 28 28 ILE HD13 H 1 0.92 0.01 . 1 . . . A 28 ILE HD13 . 25458 1 194 . 1 1 29 29 GLY H H 1 8.20 0.01 . 1 . . . A 29 GLY H . 25458 1 195 . 1 1 29 29 GLY HA2 H 1 3.95 0.01 . 1 . . . A 29 GLY HA2 . 25458 1 196 . 1 1 29 29 GLY HA3 H 1 3.95 0.01 . 1 . . . A 29 GLY HA3 . 25458 1 197 . 1 1 30 30 ILE H H 1 7.96 0.01 . 1 . . . A 30 ILE H . 25458 1 198 . 1 1 30 30 ILE HA H 1 4.11 0.01 . 1 . . . A 30 ILE HA . 25458 1 199 . 1 1 30 30 ILE HB H 1 2.01 0.01 . 1 . . . A 30 ILE HB . 25458 1 200 . 1 1 30 30 ILE HG12 H 1 1.64 0.01 . 2 . . . A 30 ILE HG12 . 25458 1 201 . 1 1 30 30 ILE HG13 H 1 1.33 0.01 . 2 . . . A 30 ILE HG13 . 25458 1 202 . 1 1 30 30 ILE HG21 H 1 0.99 0.01 . 1 . . . A 30 ILE HG21 . 25458 1 203 . 1 1 30 30 ILE HG22 H 1 0.99 0.01 . 1 . . . A 30 ILE HG22 . 25458 1 204 . 1 1 30 30 ILE HG23 H 1 0.99 0.01 . 1 . . . A 30 ILE HG23 . 25458 1 205 . 1 1 30 30 ILE HD11 H 1 0.92 0.01 . 1 . . . A 30 ILE HD11 . 25458 1 206 . 1 1 30 30 ILE HD12 H 1 0.92 0.01 . 1 . . . A 30 ILE HD12 . 25458 1 207 . 1 1 30 30 ILE HD13 H 1 0.92 0.01 . 1 . . . A 30 ILE HD13 . 25458 1 208 . 1 1 31 31 SER H H 1 7.88 0.01 . 1 . . . A 31 SER H . 25458 1 209 . 1 1 31 31 SER HA H 1 4.40 0.01 . 1 . . . A 31 SER HA . 25458 1 210 . 1 1 31 31 SER HB2 H 1 4.06 0.01 . 2 . . . A 31 SER HB2 . 25458 1 211 . 1 1 31 31 SER HB3 H 1 3.97 0.01 . 2 . . . A 31 SER HB3 . 25458 1 212 . 1 1 32 32 ASP H H 1 7.96 0.01 . 1 . . . A 32 ASP H . 25458 1 213 . 1 1 32 32 ASP HA H 1 4.91 0.01 . 1 . . . A 32 ASP HA . 25458 1 214 . 1 1 32 32 ASP HB2 H 1 3.00 0.01 . 1 . . . A 32 ASP HB2 . 25458 1 215 . 1 1 32 32 ASP HB3 H 1 3.00 0.01 . 1 . . . A 32 ASP HB3 . 25458 1 216 . 1 1 33 33 PRO HA H 1 4.31 0.01 . 1 . . . A 33 PRO HA . 25458 1 217 . 1 1 33 33 PRO HB2 H 1 2.43 0.01 . 2 . . . A 33 PRO HB2 . 25458 1 218 . 1 1 33 33 PRO HB3 H 1 2.01 0.01 . 2 . . . A 33 PRO HB3 . 25458 1 219 . 1 1 33 33 PRO HG2 H 1 2.17 0.01 . 2 . . . A 33 PRO HG2 . 25458 1 220 . 1 1 33 33 PRO HG3 H 1 2.12 0.01 . 2 . . . A 33 PRO HG3 . 25458 1 221 . 1 1 33 33 PRO HD2 H 1 4.04 0.01 . 2 . . . A 33 PRO HD2 . 25458 1 222 . 1 1 33 33 PRO HD3 H 1 3.97 0.01 . 2 . . . A 33 PRO HD3 . 25458 1 223 . 1 1 34 34 GLN H H 1 8.19 0.01 . 1 . . . A 34 GLN H . 25458 1 224 . 1 1 34 34 GLN HA H 1 4.16 0.01 . 1 . . . A 34 GLN HA . 25458 1 225 . 1 1 34 34 GLN HB2 H 1 2.13 0.01 . 1 . . . A 34 GLN HB2 . 25458 1 226 . 1 1 34 34 GLN HB3 H 1 2.13 0.01 . 1 . . . A 34 GLN HB3 . 25458 1 227 . 1 1 34 34 GLN HG2 H 1 2.46 0.01 . 2 . . . A 34 GLN HG2 . 25458 1 228 . 1 1 34 34 GLN HG3 H 1 2.42 0.01 . 2 . . . A 34 GLN HG3 . 25458 1 229 . 1 1 34 34 GLN HE21 H 1 7.24 0.01 . 2 . . . A 34 GLN HE21 . 25458 1 230 . 1 1 34 34 GLN HE22 H 1 6.51 0.01 . 2 . . . A 34 GLN HE22 . 25458 1 231 . 1 1 35 35 HIS H H 1 8.05 0.01 . 1 . . . A 35 HIS H . 25458 1 232 . 1 1 35 35 HIS HA H 1 4.47 0.01 . 1 . . . A 35 HIS HA . 25458 1 233 . 1 1 35 35 HIS HB2 H 1 3.42 0.01 . 2 . . . A 35 HIS HB2 . 25458 1 234 . 1 1 35 35 HIS HB3 H 1 3.47 0.01 . 2 . . . A 35 HIS HB3 . 25458 1 235 . 1 1 35 35 HIS HD2 H 1 7.29 0.01 . 1 . . . A 35 HIS HD2 . 25458 1 236 . 1 1 35 35 HIS HE1 H 1 8.56 0.01 . 1 . . . A 35 HIS HE1 . 25458 1 237 . 1 1 36 36 ARG H H 1 8.23 0.01 . 1 . . . A 36 ARG H . 25458 1 238 . 1 1 36 36 ARG HA H 1 4.07 0.01 . 1 . . . A 36 ARG HA . 25458 1 239 . 1 1 36 36 ARG HB2 H 1 2.01 0.01 . 2 . . . A 36 ARG HB2 . 25458 1 240 . 1 1 36 36 ARG HB3 H 1 1.94 0.01 . 2 . . . A 36 ARG HB3 . 25458 1 241 . 1 1 36 36 ARG HG2 H 1 1.84 0.01 . 2 . . . A 36 ARG HG2 . 25458 1 242 . 1 1 36 36 ARG HG3 H 1 1.70 0.01 . 2 . . . A 36 ARG HG3 . 25458 1 243 . 1 1 36 36 ARG HD2 H 1 3.29 0.01 . 1 . . . A 36 ARG HD2 . 25458 1 244 . 1 1 36 36 ARG HD3 H 1 3.29 0.01 . 1 . . . A 36 ARG HD3 . 25458 1 245 . 1 1 36 36 ARG HE H 1 7.20 0.01 . 1 . . . A 36 ARG HE . 25458 1 246 . 1 1 37 37 ARG H H 1 8.21 0.01 . 1 . . . A 37 ARG H . 25458 1 247 . 1 1 37 37 ARG HA H 1 4.07 0.01 . 1 . . . A 37 ARG HA . 25458 1 248 . 1 1 37 37 ARG HB2 H 1 1.97 0.01 . 1 . . . A 37 ARG HB2 . 25458 1 249 . 1 1 37 37 ARG HB3 H 1 1.97 0.01 . 1 . . . A 37 ARG HB3 . 25458 1 250 . 1 1 37 37 ARG HG2 H 1 1.83 0.01 . 2 . . . A 37 ARG HG2 . 25458 1 251 . 1 1 37 37 ARG HG3 H 1 1.70 0.01 . 2 . . . A 37 ARG HG3 . 25458 1 252 . 1 1 37 37 ARG HD2 H 1 3.23 0.01 . 1 . . . A 37 ARG HD2 . 25458 1 253 . 1 1 37 37 ARG HD3 H 1 3.23 0.01 . 1 . . . A 37 ARG HD3 . 25458 1 254 . 1 1 37 37 ARG HE H 1 7.19 0.01 . 1 . . . A 37 ARG HE . 25458 1 255 . 1 1 38 38 LYS H H 1 7.69 0.01 . 1 . . . A 38 LYS H . 25458 1 256 . 1 1 38 38 LYS HA H 1 4.15 0.01 . 1 . . . A 38 LYS HA . 25458 1 257 . 1 1 38 38 LYS HB2 H 1 1.99 0.01 . 1 . . . A 38 LYS HB2 . 25458 1 258 . 1 1 38 38 LYS HB3 H 1 1.99 0.01 . 1 . . . A 38 LYS HB3 . 25458 1 259 . 1 1 38 38 LYS HG2 H 1 1.63 0.01 . 2 . . . A 38 LYS HG2 . 25458 1 260 . 1 1 38 38 LYS HG3 H 1 1.55 0.01 . 2 . . . A 38 LYS HG3 . 25458 1 261 . 1 1 38 38 LYS HD2 H 1 1.75 0.01 . 1 . . . A 38 LYS HD2 . 25458 1 262 . 1 1 38 38 LYS HD3 H 1 1.75 0.01 . 1 . . . A 38 LYS HD3 . 25458 1 263 . 1 1 38 38 LYS HE2 H 1 3.00 0.01 . 1 . . . A 38 LYS HE2 . 25458 1 264 . 1 1 38 38 LYS HE3 H 1 3.00 0.01 . 1 . . . A 38 LYS HE3 . 25458 1 265 . 1 1 39 39 LEU H H 1 7.84 0.01 . 1 . . . A 39 LEU H . 25458 1 266 . 1 1 39 39 LEU HA H 1 4.17 0.01 . 1 . . . A 39 LEU HA . 25458 1 267 . 1 1 39 39 LEU HB2 H 1 1.84 0.01 . 2 . . . A 39 LEU HB2 . 25458 1 268 . 1 1 39 39 LEU HB3 H 1 1.72 0.01 . 2 . . . A 39 LEU HB3 . 25458 1 269 . 1 1 39 39 LEU HG H 1 1.86 0.01 . 1 . . . A 39 LEU HG . 25458 1 270 . 1 1 39 39 LEU HD11 H 1 0.92 0.01 . 1 . . . A 39 LEU HD11 . 25458 1 271 . 1 1 39 39 LEU HD12 H 1 0.92 0.01 . 1 . . . A 39 LEU HD12 . 25458 1 272 . 1 1 39 39 LEU HD13 H 1 0.92 0.01 . 1 . . . A 39 LEU HD13 . 25458 1 273 . 1 1 39 39 LEU HD21 H 1 0.92 0.01 . 1 . . . A 39 LEU HD21 . 25458 1 274 . 1 1 39 39 LEU HD22 H 1 0.92 0.01 . 1 . . . A 39 LEU HD22 . 25458 1 275 . 1 1 39 39 LEU HD23 H 1 0.92 0.01 . 1 . . . A 39 LEU HD23 . 25458 1 276 . 1 1 40 40 LEU H H 1 8.03 0.01 . 1 . . . A 40 LEU H . 25458 1 277 . 1 1 40 40 LEU HA H 1 4.14 0.01 . 1 . . . A 40 LEU HA . 25458 1 278 . 1 1 40 40 LEU HB2 H 1 1.88 0.01 . 2 . . . A 40 LEU HB2 . 25458 1 279 . 1 1 40 40 LEU HB3 H 1 1.64 0.01 . 2 . . . A 40 LEU HB3 . 25458 1 280 . 1 1 40 40 LEU HG H 1 1.81 0.01 . 1 . . . A 40 LEU HG . 25458 1 281 . 1 1 40 40 LEU HD11 H 1 0.92 0.01 . 1 . . . A 40 LEU HD11 . 25458 1 282 . 1 1 40 40 LEU HD12 H 1 0.92 0.01 . 1 . . . A 40 LEU HD12 . 25458 1 283 . 1 1 40 40 LEU HD13 H 1 0.92 0.01 . 1 . . . A 40 LEU HD13 . 25458 1 284 . 1 1 40 40 LEU HD21 H 1 0.92 0.01 . 1 . . . A 40 LEU HD21 . 25458 1 285 . 1 1 40 40 LEU HD22 H 1 0.92 0.01 . 1 . . . A 40 LEU HD22 . 25458 1 286 . 1 1 40 40 LEU HD23 H 1 0.92 0.01 . 1 . . . A 40 LEU HD23 . 25458 1 287 . 1 1 41 41 GLN H H 1 8.01 0.01 . 1 . . . A 41 GLN H . 25458 1 288 . 1 1 41 41 GLN HA H 1 4.08 0.01 . 1 . . . A 41 GLN HA . 25458 1 289 . 1 1 41 41 GLN HB2 H 1 2.22 0.01 . 1 . . . A 41 GLN HB2 . 25458 1 290 . 1 1 41 41 GLN HB3 H 1 2.22 0.01 . 1 . . . A 41 GLN HB3 . 25458 1 291 . 1 1 41 41 GLN HG2 H 1 2.57 0.01 . 2 . . . A 41 GLN HG2 . 25458 1 292 . 1 1 41 41 GLN HG3 H 1 2.41 0.01 . 2 . . . A 41 GLN HG3 . 25458 1 293 . 1 1 41 41 GLN HE21 H 1 7.20 0.01 . 2 . . . A 41 GLN HE21 . 25458 1 294 . 1 1 41 41 GLN HE22 H 1 6.53 0.01 . 2 . . . A 41 GLN HE22 . 25458 1 295 . 1 1 42 42 ALA H H 1 8.03 0.01 . 1 . . . A 42 ALA H . 25458 1 296 . 1 1 42 42 ALA HA H 1 4.22 0.01 . 1 . . . A 42 ALA HA . 25458 1 297 . 1 1 42 42 ALA HB1 H 1 1.55 0.01 . 1 . . . A 42 ALA HB1 . 25458 1 298 . 1 1 42 42 ALA HB2 H 1 1.55 0.01 . 1 . . . A 42 ALA HB2 . 25458 1 299 . 1 1 42 42 ALA HB3 H 1 1.55 0.01 . 1 . . . A 42 ALA HB3 . 25458 1 300 . 1 1 43 43 ALA H H 1 8.09 0.01 . 1 . . . A 43 ALA H . 25458 1 301 . 1 1 43 43 ALA HA H 1 4.24 0.01 . 1 . . . A 43 ALA HA . 25458 1 302 . 1 1 43 43 ALA HB1 H 1 1.53 0.01 . 1 . . . A 43 ALA HB1 . 25458 1 303 . 1 1 43 43 ALA HB2 H 1 1.53 0.01 . 1 . . . A 43 ALA HB2 . 25458 1 304 . 1 1 43 43 ALA HB3 H 1 1.53 0.01 . 1 . . . A 43 ALA HB3 . 25458 1 305 . 1 1 44 44 ARG H H 1 7.77 0.01 . 1 . . . A 44 ARG H . 25458 1 306 . 1 1 44 44 ARG HA H 1 4.30 0.01 . 1 . . . A 44 ARG HA . 25458 1 307 . 1 1 44 44 ARG HB2 H 1 2.01 0.01 . 2 . . . A 44 ARG HB2 . 25458 1 308 . 1 1 44 44 ARG HB3 H 1 1.91 0.01 . 2 . . . A 44 ARG HB3 . 25458 1 309 . 1 1 44 44 ARG HG2 H 1 1.83 0.01 . 2 . . . A 44 ARG HG2 . 25458 1 310 . 1 1 44 44 ARG HG3 H 1 1.74 0.01 . 2 . . . A 44 ARG HG3 . 25458 1 311 . 1 1 44 44 ARG HD2 H 1 3.23 0.01 . 1 . . . A 44 ARG HD2 . 25458 1 312 . 1 1 44 44 ARG HD3 H 1 3.23 0.01 . 1 . . . A 44 ARG HD3 . 25458 1 313 . 1 1 44 44 ARG HE H 1 7.12 0.01 . 1 . . . A 44 ARG HE . 25458 1 314 . 1 1 45 45 NH2 HN1 H 1 7.26 0.01 . 2 . . . A 45 NH2 HN1 . 25458 1 315 . 1 1 45 45 NH2 HN2 H 1 6.77 0.01 . 2 . . . A 45 NH2 HN2 . 25458 1 stop_ save_