################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36417 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $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 '1D 1H' 1 $sample_1 isotropic 36417 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36417 1 3 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36417 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 1 1 GLY HA2 H 1 3.99 0.05 . 1 . . . . A 1 GLY HA2 . 36417 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.92 0.05 . 1 . . . . A 1 GLY HA3 . 36417 1 3 . 1 . 1 2 2 ILE H H 1 8.43 0.05 . 1 . . . . A 2 ILE H . 36417 1 4 . 1 . 1 2 2 ILE HA H 1 3.78 0.05 . 1 . . . . A 2 ILE HA . 36417 1 5 . 1 . 1 2 2 ILE HB H 1 1.12 0.05 . 1 . . . . A 2 ILE HB . 36417 1 6 . 1 . 1 2 2 ILE HG12 H 1 1.09 0.05 . 1 . . . . A 2 ILE HG12 . 36417 1 7 . 1 . 1 2 2 ILE HG13 H 1 00.9 0.05 . 1 . . . . A 2 ILE HG13 . 36417 1 8 . 1 . 1 2 2 ILE HG21 H 1 0.71 0.05 . 1 . . . . A 2 ILE HG21 . 36417 1 9 . 1 . 1 2 2 ILE HG22 H 1 0.71 0.05 . 1 . . . . A 2 ILE HG22 . 36417 1 10 . 1 . 1 2 2 ILE HG23 H 1 0.71 0.05 . 1 . . . . A 2 ILE HG23 . 36417 1 11 . 1 . 1 2 2 ILE HD11 H 1 0.57 0.05 . 1 . . . . A 2 ILE HD11 . 36417 1 12 . 1 . 1 2 2 ILE HD12 H 1 0.57 0.05 . 1 . . . . A 2 ILE HD12 . 36417 1 13 . 1 . 1 2 2 ILE HD13 H 1 0.57 0.05 . 1 . . . . A 2 ILE HD13 . 36417 1 14 . 1 . 1 3 3 VAL H H 1 8.16 0.05 . 1 . . . . A 3 VAL H . 36417 1 15 . 1 . 1 3 3 VAL HA H 1 3.53 0.05 . 1 . . . . A 3 VAL HA . 36417 1 16 . 1 . 1 3 3 VAL HB H 1 1.91 0.05 . 1 . . . . A 3 VAL HB . 36417 1 17 . 1 . 1 3 3 VAL HG11 H 1 0.92 0.05 . 1 . . . . A 3 VAL HG11 . 36417 1 18 . 1 . 1 3 3 VAL HG12 H 1 0.92 0.05 . 1 . . . . A 3 VAL HG12 . 36417 1 19 . 1 . 1 3 3 VAL HG13 H 1 0.92 0.05 . 1 . . . . A 3 VAL HG13 . 36417 1 20 . 1 . 1 3 3 VAL HG21 H 1 0.85 0.05 . 1 . . . . A 3 VAL HG21 . 36417 1 21 . 1 . 1 3 3 VAL HG22 H 1 0.85 0.05 . 1 . . . . A 3 VAL HG22 . 36417 1 22 . 1 . 1 3 3 VAL HG23 H 1 0.85 0.05 . 1 . . . . A 3 VAL HG23 . 36417 1 23 . 1 . 1 4 4 GLU H H 1 8.29 0.05 . 1 . . . . A 4 GLU H . 36417 1 24 . 1 . 1 4 4 GLU HA H 1 4.09 0.05 . 1 . . . . A 4 GLU HA . 36417 1 25 . 1 . 1 4 4 GLU HB2 H 1 2.08 0.05 . 1 . . . . A 4 GLU HB2 . 36417 1 26 . 1 . 1 4 4 GLU HB3 H 1 1.95 0.05 . 1 . . . . A 4 GLU HB3 . 36417 1 27 . 1 . 1 4 4 GLU HG2 H 1 2.49 0.05 . 1 . . . . A 4 GLU HG2 . 36417 1 28 . 1 . 1 4 4 GLU HG3 H 1 2.27 0.05 . 1 . . . . A 4 GLU HG3 . 36417 1 29 . 1 . 1 5 5 GLN H H 1 8.15 0.05 . 1 . . . . A 5 GLN H . 36417 1 30 . 1 . 1 5 5 GLN HA H 1 4.01 0.05 . 1 . . . . A 5 GLN HA . 36417 1 31 . 1 . 1 5 5 GLN HB2 H 1 2.04 0.05 . 1 . . . . A 5 GLN HB2 . 36417 1 32 . 1 . 1 5 5 GLN HB3 H 1 2.00 1 . 1 . . . . A 5 GLN HB3 . 36417 1 33 . 1 . 1 5 5 GLN HG2 H 1 2.44 0.05 . 1 . . . . A 5 GLN HG2 . 36417 1 34 . 1 . 1 5 5 GLN HG3 H 1 2.33 0.05 . 1 . . . . A 5 GLN HG3 . 36417 1 35 . 1 . 1 5 5 GLN HE21 H 1 7.44 0.05 . 1 . . . . A 5 GLN HE21 . 36417 1 36 . 1 . 1 5 5 GLN HE22 H 1 6.73 0.05 . 1 . . . . A 5 GLN HE22 . 36417 1 37 . 1 . 1 6 6 CYS H H 1 8.17 0.05 . 1 . . . . A 6 CYS H . 36417 1 38 . 1 . 1 6 6 CYS HA H 1 4.82 0.05 . 1 . . . . A 6 CYS HA . 36417 1 39 . 1 . 1 6 6 CYS HB2 H 1 3.19 0.05 . 1 . . . . A 6 CYS HB2 . 36417 1 40 . 1 . 1 6 6 CYS HB3 H 1 2.86 0.05 . 1 . . . . A 6 CYS HB3 . 36417 1 41 . 1 . 1 7 7 CYS H H 1 8.24 0.05 . 1 . . . . A 7 CYS H . 36417 1 42 . 1 . 1 7 7 CYS HA H 1 4.79 0.05 . 1 . . . . A 7 CYS HA . 36417 1 43 . 1 . 1 7 7 CYS HB2 H 1 3.71 0.05 . 1 . . . . A 7 CYS HB2 . 36417 1 44 . 1 . 1 7 7 CYS HB3 H 1 3.72 0.05 . 1 . . . . A 7 CYS HB3 . 36417 1 45 . 1 . 1 9 9 SER H H 1 7.17 0.05 . 1 . . . . A 9 SER H . 36417 1 46 . 1 . 1 9 9 SER HA H 1 4.66 0.05 . 1 . . . . A 9 SER HA . 36417 1 47 . 1 . 1 9 9 SER HB2 H 1 3.98 0.05 . 1 . . . . A 9 SER HB2 . 36417 1 48 . 1 . 1 9 9 SER HB3 H 1 3.80 0.05 . 1 . . . . A 9 SER HB3 . 36417 1 49 . 1 . 1 11 11 CYS H H 1 9.39 0.05 . 1 . . . . A 11 CYS H . 36417 1 50 . 1 . 1 11 11 CYS HA H 1 5.07 0.05 . 1 . . . . A 11 CYS HA . 36417 1 51 . 1 . 1 11 11 CYS HB2 H 1 3.32 0.05 . 1 . . . . A 11 CYS HB2 . 36417 1 52 . 1 . 1 11 11 CYS HB3 H 1 2.99 0.05 . 1 . . . . A 11 CYS HB3 . 36417 1 53 . 1 . 1 12 12 SER H H 1 8.53 0.05 . 1 . . . . A 12 SER H . 36417 1 54 . 1 . 1 12 12 SER HA H 1 4.57 0.05 . 1 . . . . A 12 SER HA . 36417 1 55 . 1 . 1 12 12 SER HB2 H 1 4.23 0.05 . 1 . . . . A 12 SER HB2 . 36417 1 56 . 1 . 1 12 12 SER HB3 H 1 3.91 0.05 . 1 . . . . A 12 SER HB3 . 36417 1 57 . 1 . 1 13 13 LEU H H 1 8.54 0.05 . 1 . . . . A 13 LEU H . 36417 1 58 . 1 . 1 13 13 LEU HA H 1 3.94 0.05 . 1 . . . . A 13 LEU HA . 36417 1 59 . 1 . 1 13 13 LEU HB2 H 1 1.51 0.05 . 1 . . . . A 13 LEU HB2 . 36417 1 60 . 1 . 1 13 13 LEU HB3 H 1 1.40 0.05 . 1 . . . . A 13 LEU HB3 . 36417 1 61 . 1 . 1 13 13 LEU HG H 1 1.53 0.05 . 1 . . . . A 13 LEU HG . 36417 1 62 . 1 . 1 13 13 LEU HD11 H 1 0.86 0.05 . 1 . . . . A 13 LEU HD11 . 36417 1 63 . 1 . 1 13 13 LEU HD12 H 1 0.86 0.05 . 1 . . . . A 13 LEU HD12 . 36417 1 64 . 1 . 1 13 13 LEU HD13 H 1 0.86 0.05 . 1 . . . . A 13 LEU HD13 . 36417 1 65 . 1 . 1 13 13 LEU HD21 H 1 0.78 0.05 . 1 . . . . A 13 LEU HD21 . 36417 1 66 . 1 . 1 13 13 LEU HD22 H 1 0.78 0.05 . 1 . . . . A 13 LEU HD22 . 36417 1 67 . 1 . 1 13 13 LEU HD23 H 1 0.78 0.05 . 1 . . . . A 13 LEU HD23 . 36417 1 68 . 1 . 1 14 14 TYR H H 1 7.38 0.05 . 1 . . . . A 14 TYR H . 36417 1 69 . 1 . 1 14 14 TYR HA H 1 4.14 0.05 . 1 . . . . A 14 TYR HA . 36417 1 70 . 1 . 1 14 14 TYR HB2 H 1 2.97 0.05 . 1 . . . . A 14 TYR HB2 . 36417 1 71 . 1 . 1 14 14 TYR HB3 H 1 2.87 0.05 . 1 . . . . A 14 TYR HB3 . 36417 1 72 . 1 . 1 14 14 TYR HD1 H 1 7.05 0.05 . 1 . . . . A 14 TYR HD1 . 36417 1 73 . 1 . 1 14 14 TYR HE1 H 1 6.80 0.05 . 1 . . . . A 14 TYR HE1 . 36417 1 74 . 1 . 1 15 15 GLN H H 1 7.47 0.05 . 1 . . . . A 15 GLN H . 36417 1 75 . 1 . 1 15 15 GLN HA H 1 3.96 0.05 . 1 . . . . A 15 GLN HA . 36417 1 76 . 1 . 1 15 15 GLN HB2 H 1 2.33 0.05 . 1 . . . . A 15 GLN HB2 . 36417 1 77 . 1 . 1 15 15 GLN HB3 H 1 1.96 0.05 . 1 . . . . A 15 GLN HB3 . 36417 1 78 . 1 . 1 15 15 GLN HG2 H 1 2.42 0.05 . 1 . . . . A 15 GLN HG2 . 36417 1 79 . 1 . 1 15 15 GLN HG3 H 1 2.33 0.05 . 1 . . . . A 15 GLN HG3 . 36417 1 80 . 1 . 1 15 15 GLN HE21 H 1 7.37 0.05 . 1 . . . . A 15 GLN HE21 . 36417 1 81 . 1 . 1 15 15 GLN HE22 H 1 6.85 0.05 . 1 . . . . A 15 GLN HE22 . 36417 1 82 . 1 . 1 16 16 LEU H H 1 7.94 0.05 . 1 . . . . A 16 LEU H . 36417 1 83 . 1 . 1 16 16 LEU HA H 1 4.11 0.05 . 1 . . . . A 16 LEU HA . 36417 1 84 . 1 . 1 16 16 LEU HB2 H 1 1.86 0.05 . 1 . . . . A 16 LEU HB2 . 36417 1 85 . 1 . 1 16 16 LEU HB3 H 1 1.59 0.05 . 1 . . . . A 16 LEU HB3 . 36417 1 86 . 1 . 1 16 16 LEU HG H 1 1.70 0.05 . 1 . . . . A 16 LEU HG . 36417 1 87 . 1 . 1 16 16 LEU HD11 H 1 0.80 0.05 . 1 . . . . A 16 LEU HD11 . 36417 1 88 . 1 . 1 16 16 LEU HD12 H 1 0.80 0.05 . 1 . . . . A 16 LEU HD12 . 36417 1 89 . 1 . 1 16 16 LEU HD13 H 1 0.80 0.05 . 1 . . . . A 16 LEU HD13 . 36417 1 90 . 1 . 1 16 16 LEU HD21 H 1 0.75 0.05 . 1 . . . . A 16 LEU HD21 . 36417 1 91 . 1 . 1 16 16 LEU HD22 H 1 0.75 0.05 . 1 . . . . A 16 LEU HD22 . 36417 1 92 . 1 . 1 16 16 LEU HD23 H 1 0.75 0.05 . 1 . . . . A 16 LEU HD23 . 36417 1 93 . 1 . 1 17 17 GLU H H 1 7.96 0.05 . 1 . . . . A 17 GLU H . 36417 1 94 . 1 . 1 17 17 GLU HA H 1 4.13 0.05 . 1 . . . . A 17 GLU HA . 36417 1 95 . 1 . 1 17 17 GLU HB2 H 1 2.06 0.05 . 1 . . . . A 17 GLU HB2 . 36417 1 96 . 1 . 1 17 17 GLU HB3 H 1 1.96 0.05 . 1 . . . . A 17 GLU HB3 . 36417 1 97 . 1 . 1 17 17 GLU HG2 H 1 2.52 0.05 . 1 . . . . A 17 GLU HG2 . 36417 1 98 . 1 . 1 17 17 GLU HG3 H 1 2.33 0.05 . 1 . . . . A 17 GLU HG3 . 36417 1 99 . 1 . 1 18 18 ASN H H 1 7.38 0.05 . 1 . . . . A 18 ASN H . 36417 1 100 . 1 . 1 18 18 ASN HA H 1 4.41 0.05 . 1 . . . . A 18 ASN HA . 36417 1 101 . 1 . 1 18 18 ASN HB2 H 1 2.56 0.05 . 1 . . . . A 18 ASN HB2 . 36417 1 102 . 1 . 1 18 18 ASN HB3 H 1 2.45 0.05 . 1 . . . . A 18 ASN HB3 . 36417 1 103 . 1 . 1 18 18 ASN HD21 H 1 7.09 0.05 . 1 . . . . A 18 ASN HD21 . 36417 1 104 . 1 . 1 18 18 ASN HD22 H 1 6.34 0.05 . 1 . . . . A 18 ASN HD22 . 36417 1 105 . 1 . 1 19 19 TYR H H 1 7.84 0.05 . 1 . . . . A 19 TYR H . 36417 1 106 . 1 . 1 19 19 TYR HA H 1 4.40 0.05 . 1 . . . . A 19 TYR HA . 36417 1 107 . 1 . 1 19 19 TYR HB2 H 1 3.29 0.05 . 1 . . . . A 19 TYR HB2 . 36417 1 108 . 1 . 1 19 19 TYR HB3 H 1 2.91 0.05 . 1 . . . . A 19 TYR HB3 . 36417 1 109 . 1 . 1 19 19 TYR HD1 H 1 7.28 0.05 . 1 . . . . A 19 TYR HD1 . 36417 1 110 . 1 . 1 19 19 TYR HE1 H 1 6.71 0.05 . 1 . . . . A 19 TYR HE1 . 36417 1 111 . 2 . 2 1 1 PHE HA H 1 4.24 0.05 . 1 . . . . B 1 PHE HA . 36417 1 112 . 2 . 2 1 1 PHE HB2 H 1 3.19 0.05 . 1 . . . . B 1 PHE HB2 . 36417 1 113 . 2 . 2 1 1 PHE HB3 H 1 3.10 0.05 . 1 . . . . B 1 PHE HB3 . 36417 1 114 . 2 . 2 1 1 PHE HD1 H 1 7.24 0.05 . 1 . . . . B 1 PHE HD1 . 36417 1 115 . 2 . 2 1 1 PHE HE1 H 1 7.37 0.05 . 1 . . . . B 1 PHE HE1 . 36417 1 116 . 2 . 2 1 1 PHE HZ H 1 7.32 0.05 . 1 . . . . B 1 PHE HZ . 36417 1 117 . 2 . 2 2 2 VAL H H 1 8.05 0.05 . 1 . . . . B 2 VAL H . 36417 1 118 . 2 . 2 2 2 VAL HA H 1 4.08 0.05 . 1 . . . . B 2 VAL HA . 36417 1 119 . 2 . 2 2 2 VAL HB H 1 1.94 0.05 . 1 . . . . B 2 VAL HB . 36417 1 120 . 2 . 2 2 2 VAL HG11 H 1 0.86 0.05 . 1 . . . . B 2 VAL HG11 . 36417 1 121 . 2 . 2 2 2 VAL HG12 H 1 0.86 0.05 . 1 . . . . B 2 VAL HG12 . 36417 1 122 . 2 . 2 2 2 VAL HG13 H 1 0.86 0.05 . 1 . . . . B 2 VAL HG13 . 36417 1 123 . 2 . 2 2 2 VAL HG21 H 1 0.86 0.05 . 1 . . . . B 2 VAL HG21 . 36417 1 124 . 2 . 2 2 2 VAL HG22 H 1 0.86 0.05 . 1 . . . . B 2 VAL HG22 . 36417 1 125 . 2 . 2 2 2 VAL HG23 H 1 0.86 0.05 . 1 . . . . B 2 VAL HG23 . 36417 1 126 . 2 . 2 3 3 ASN H H 1 8.21 0.05 . 1 . . . . B 3 ASN H . 36417 1 127 . 2 . 2 3 3 ASN HA H 1 4.62 0.05 . 1 . . . . B 3 ASN HA . 36417 1 128 . 2 . 2 3 3 ASN HB2 H 1 2.76 0.05 . 1 . . . . B 3 ASN HB2 . 36417 1 129 . 2 . 2 3 3 ASN HB3 H 1 2.66 0.05 . 1 . . . . B 3 ASN HB3 . 36417 1 130 . 2 . 2 3 3 ASN HD21 H 1 7.42 0.05 . 1 . . . . B 3 ASN HD21 . 36417 1 131 . 2 . 2 3 3 ASN HD22 H 1 6.73 0.05 . 1 . . . . B 3 ASN HD22 . 36417 1 132 . 2 . 2 4 4 GLN H H 1 8.15 0.05 . 1 . . . . B 4 GLN H . 36417 1 133 . 2 . 2 4 4 GLN HA H 1 4.36 0.05 . 1 . . . . B 4 GLN HA . 36417 1 134 . 2 . 2 4 4 GLN HB2 H 1 2.08 0.05 . 1 . . . . B 4 GLN HB2 . 36417 1 135 . 2 . 2 4 4 GLN HB3 H 1 1.78 0.05 . 1 . . . . B 4 GLN HB3 . 36417 1 136 . 2 . 2 4 4 GLN HG2 H 1 2.10 0.05 . 1 . . . . B 4 GLN HG2 . 36417 1 137 . 2 . 2 4 4 GLN HG3 H 1 2.21 0.05 . 1 . . . . B 4 GLN HG3 . 36417 1 138 . 2 . 2 4 4 GLN HE21 H 1 7.29 0.05 . 1 . . . . B 4 GLN HE21 . 36417 1 139 . 2 . 2 4 4 GLN HE22 H 1 6.59 0.05 . 1 . . . . B 4 GLN HE22 . 36417 1 140 . 2 . 2 5 5 HIS H H 1 8.35 0.05 . 1 . . . . B 5 HIS H . 36417 1 141 . 2 . 2 5 5 HIS HA H 1 4.42 0.05 . 1 . . . . B 5 HIS HA . 36417 1 142 . 2 . 2 5 5 HIS HB2 H 1 3.53 0.05 . 1 . . . . B 5 HIS HB2 . 36417 1 143 . 2 . 2 5 5 HIS HB3 H 1 3.22 0.05 . 1 . . . . B 5 HIS HB3 . 36417 1 144 . 2 . 2 5 5 HIS HD1 H 1 7.36 0.05 . 1 . . . . B 5 HIS HD1 . 36417 1 145 . 2 . 2 5 5 HIS HE1 H 1 8.48 0.05 . 1 . . . . B 5 HIS HE1 . 36417 1 146 . 2 . 2 6 6 LEU H H 1 8.77 0.05 . 1 . . . . B 6 LEU H . 36417 1 147 . 2 . 2 6 6 LEU HA H 1 4.44 0.05 . 1 . . . . B 6 LEU HA . 36417 1 148 . 2 . 2 6 6 LEU HB2 H 1 1.67 0.05 . 1 . . . . B 6 LEU HB2 . 36417 1 149 . 2 . 2 6 6 LEU HB3 H 1 0.98 0.05 . 1 . . . . B 6 LEU HB3 . 36417 1 150 . 2 . 2 6 6 LEU HG H 1 1.53 0.05 . 1 . . . . B 6 LEU HG . 36417 1 151 . 2 . 2 6 6 LEU HD11 H 1 0.83 0.05 . 1 . . . . B 6 LEU HD11 . 36417 1 152 . 2 . 2 6 6 LEU HD12 H 1 0.83 0.05 . 1 . . . . B 6 LEU HD12 . 36417 1 153 . 2 . 2 6 6 LEU HD13 H 1 0.83 0.05 . 1 . . . . B 6 LEU HD13 . 36417 1 154 . 2 . 2 6 6 LEU HD21 H 1 0.72 0.05 . 1 . . . . B 6 LEU HD21 . 36417 1 155 . 2 . 2 6 6 LEU HD22 H 1 0.72 0.05 . 1 . . . . B 6 LEU HD22 . 36417 1 156 . 2 . 2 6 6 LEU HD23 H 1 0.72 0.05 . 1 . . . . B 6 LEU HD23 . 36417 1 157 . 2 . 2 7 7 CYS H H 1 8.14 0.05 . 1 . . . . B 7 CYS H . 36417 1 158 . 2 . 2 7 7 CYS HA H 1 4.86 0.05 . 1 . . . . B 7 CYS HA . 36417 1 159 . 2 . 2 7 7 CYS HB2 H 1 3.16 0.05 . 1 . . . . B 7 CYS HB2 . 36417 1 160 . 2 . 2 7 7 CYS HB3 H 1 2.91 0.05 . 1 . . . . B 7 CYS HB3 . 36417 1 161 . 2 . 2 8 8 GLY H H 1 8.82 0.05 . 1 . . . . B 8 GLY H . 36417 1 162 . 2 . 2 8 8 GLY HA2 H 1 3.93 0.05 . 1 . . . . B 8 GLY HA2 . 36417 1 163 . 2 . 2 8 8 GLY HA3 H 1 3.74 0.05 . 1 . . . . B 8 GLY HA3 . 36417 1 164 . 2 . 2 9 9 SER H H 1 8.80 0.05 . 1 . . . . B 9 SER H . 36417 1 165 . 2 . 2 9 9 SER HA H 1 4.04 0.05 . 1 . . . . B 9 SER HA . 36417 1 166 . 2 . 2 9 9 SER HB2 H 1 3.80 0.05 . 1 . . . . B 9 SER HB2 . 36417 1 167 . 2 . 2 9 9 SER HB3 H 1 3.80 0.05 . 1 . . . . B 9 SER HB3 . 36417 1 168 . 2 . 2 10 10 HIS H H 1 7.86 0.05 . 1 . . . . B 10 HIS H . 36417 1 169 . 2 . 2 10 10 HIS HA H 1 4.49 0.05 . 1 . . . . B 10 HIS HA . 36417 1 170 . 2 . 2 10 10 HIS HB2 H 1 3.49 0.05 . 1 . . . . B 10 HIS HB2 . 36417 1 171 . 2 . 2 10 10 HIS HB3 H 1 3.23 0.05 . 1 . . . . B 10 HIS HB3 . 36417 1 172 . 2 . 2 10 10 HIS HD1 H 1 7.40 0.05 . 1 . . . . B 10 HIS HD1 . 36417 1 173 . 2 . 2 10 10 HIS HE1 H 1 8.59 0.05 . 1 . . . . B 10 HIS HE1 . 36417 1 174 . 2 . 2 11 11 LEU H H 1 7.08 0.05 . 1 . . . . B 11 LEU H . 36417 1 175 . 2 . 2 11 11 LEU HA H 1 3.97 0.05 . 1 . . . . B 11 LEU HA . 36417 1 176 . 2 . 2 11 11 LEU HB2 H 1 1.84 0.05 . 1 . . . . B 11 LEU HB2 . 36417 1 177 . 2 . 2 11 11 LEU HB3 H 1 1.20 0.05 . 1 . . . . B 11 LEU HB3 . 36417 1 178 . 2 . 2 11 11 LEU HG H 1 1.35 0.05 . 1 . . . . B 11 LEU HG . 36417 1 179 . 2 . 2 11 11 LEU HD11 H 1 0.78 0.05 . 1 . . . . B 11 LEU HD11 . 36417 1 180 . 2 . 2 11 11 LEU HD12 H 1 0.78 0.05 . 1 . . . . B 11 LEU HD12 . 36417 1 181 . 2 . 2 11 11 LEU HD13 H 1 0.78 0.05 . 1 . . . . B 11 LEU HD13 . 36417 1 182 . 2 . 2 11 11 LEU HD21 H 1 0.73 0.05 . 1 . . . . B 11 LEU HD21 . 36417 1 183 . 2 . 2 11 11 LEU HD22 H 1 0.73 0.05 . 1 . . . . B 11 LEU HD22 . 36417 1 184 . 2 . 2 11 11 LEU HD23 H 1 0.73 0.05 . 1 . . . . B 11 LEU HD23 . 36417 1 185 . 2 . 2 12 12 VAL H H 1 7.23 0.05 . 1 . . . . B 12 VAL H . 36417 1 186 . 2 . 2 12 12 VAL HA H 1 3.37 0.05 . 1 . . . . B 12 VAL HA . 36417 1 187 . 2 . 2 12 12 VAL HB H 1 2.05 0.05 . 1 . . . . B 12 VAL HB . 36417 1 188 . 2 . 2 12 12 VAL HG11 H 1 0.95 0.05 . 1 . . . . B 12 VAL HG11 . 36417 1 189 . 2 . 2 12 12 VAL HG12 H 1 0.95 0.05 . 1 . . . . B 12 VAL HG12 . 36417 1 190 . 2 . 2 12 12 VAL HG13 H 1 0.95 0.05 . 1 . . . . B 12 VAL HG13 . 36417 1 191 . 2 . 2 12 12 VAL HG21 H 1 0.91 0.05 . 1 . . . . B 12 VAL HG21 . 36417 1 192 . 2 . 2 12 12 VAL HG22 H 1 0.91 0.05 . 1 . . . . B 12 VAL HG22 . 36417 1 193 . 2 . 2 12 12 VAL HG23 H 1 0.91 0.05 . 1 . . . . B 12 VAL HG23 . 36417 1 194 . 2 . 2 13 13 GLU H H 1 7.91 0.05 . 1 . . . . B 13 GLU H . 36417 1 195 . 2 . 2 13 13 GLU HA H 1 4.09 0.05 . 1 . . . . B 13 GLU HA . 36417 1 196 . 2 . 2 13 13 GLU HB2 H 1 2.13 0.05 . 1 . . . . B 13 GLU HB2 . 36417 1 197 . 2 . 2 13 13 GLU HB3 H 1 2.04 0.05 . 1 . . . . B 13 GLU HB3 . 36417 1 198 . 2 . 2 13 13 GLU HG2 H 1 2.48 0.05 . 1 . . . . B 13 GLU HG2 . 36417 1 199 . 2 . 2 13 13 GLU HG3 H 1 2.44 0.05 . 1 . . . . B 13 GLU HG3 . 36417 1 200 . 2 . 2 14 14 ALA H H 1 7.72 0.05 . 1 . . . . B 14 ALA H . 36417 1 201 . 2 . 2 14 14 ALA HA H 1 4.03 0.05 . 1 . . . . B 14 ALA HA . 36417 1 202 . 2 . 2 14 14 ALA HB1 H 1 1.43 0.05 . 1 . . . . B 14 ALA HB1 . 36417 1 203 . 2 . 2 14 14 ALA HB2 H 1 1.43 0.05 . 1 . . . . B 14 ALA HB2 . 36417 1 204 . 2 . 2 14 14 ALA HB3 H 1 1.43 0.05 . 1 . . . . B 14 ALA HB3 . 36417 1 205 . 2 . 2 15 15 LEU H H 1 8.04 0.05 . 1 . . . . B 15 LEU H . 36417 1 206 . 2 . 2 15 15 LEU HA H 1 3.90 0.05 . 1 . . . . B 15 LEU HA . 36417 1 207 . 2 . 2 15 15 LEU HB2 H 1 1.48 0.05 . 1 . . . . B 15 LEU HB2 . 36417 1 208 . 2 . 2 15 15 LEU HG H 1 1.51 0.05 . 1 . . . . B 15 LEU HG . 36417 1 209 . 2 . 2 15 15 LEU HD11 H 1 0.68 0.05 . 1 . . . . B 15 LEU HD11 . 36417 1 210 . 2 . 2 15 15 LEU HD12 H 1 0.68 0.05 . 1 . . . . B 15 LEU HD12 . 36417 1 211 . 2 . 2 15 15 LEU HD13 H 1 0.68 0.05 . 1 . . . . B 15 LEU HD13 . 36417 1 212 . 2 . 2 15 15 LEU HD21 H 1 0.57 0.05 . 1 . . . . B 15 LEU HD21 . 36417 1 213 . 2 . 2 15 15 LEU HD22 H 1 0.57 0.05 . 1 . . . . B 15 LEU HD22 . 36417 1 214 . 2 . 2 15 15 LEU HD23 H 1 0.57 0.05 . 1 . . . . B 15 LEU HD23 . 36417 1 215 . 2 . 2 16 16 TYR H H 1 8.15 0.05 . 1 . . . . B 16 TYR H . 36417 1 216 . 2 . 2 16 16 TYR HA H 1 4.16 0.05 . 1 . . . . B 16 TYR HA . 36417 1 217 . 2 . 2 16 16 TYR HB2 H 1 3.09 0.05 . 1 . . . . B 16 TYR HB2 . 36417 1 218 . 2 . 2 16 16 TYR HB3 H 1 3.09 0.05 . 1 . . . . B 16 TYR HB3 . 36417 1 219 . 2 . 2 16 16 TYR HD1 H 1 7.08 0.05 . 1 . . . . B 16 TYR HD1 . 36417 1 220 . 2 . 2 16 16 TYR HD2 H 1 7.08 0.05 . 1 . . . . B 16 TYR HD2 . 36417 1 221 . 2 . 2 16 16 TYR HE1 H 1 6.72 0.05 . 1 . . . . B 16 TYR HE1 . 36417 1 222 . 2 . 2 16 16 TYR HE2 H 1 6.72 0.05 . 1 . . . . B 16 TYR HE2 . 36417 1 223 . 2 . 2 17 17 LEU H H 1 7.90 0.05 . 1 . . . . B 17 LEU H . 36417 1 224 . 2 . 2 17 17 LEU HA H 1 4.02 0.05 . 1 . . . . B 17 LEU HA . 36417 1 225 . 2 . 2 17 17 LEU HB2 H 1 1.88 0.05 . 1 . . . . B 17 LEU HB2 . 36417 1 226 . 2 . 2 17 17 LEU HB3 H 1 1.60 0.05 . 1 . . . . B 17 LEU HB3 . 36417 1 227 . 2 . 2 17 17 LEU HG H 1 1.83 0.05 . 1 . . . . B 17 LEU HG . 36417 1 228 . 2 . 2 17 17 LEU HD11 H 1 0.92 0.05 . 1 . . . . B 17 LEU HD11 . 36417 1 229 . 2 . 2 17 17 LEU HD12 H 1 0.92 0.05 . 1 . . . . B 17 LEU HD12 . 36417 1 230 . 2 . 2 17 17 LEU HD13 H 1 0.92 0.05 . 1 . . . . B 17 LEU HD13 . 36417 1 231 . 2 . 2 17 17 LEU HD21 H 1 0.90 0.05 . 1 . . . . B 17 LEU HD21 . 36417 1 232 . 2 . 2 17 17 LEU HD22 H 1 0.90 0.05 . 1 . . . . B 17 LEU HD22 . 36417 1 233 . 2 . 2 17 17 LEU HD23 H 1 0.90 0.05 . 1 . . . . B 17 LEU HD23 . 36417 1 234 . 2 . 2 18 18 VAL H H 1 8.38 0.05 . 1 . . . . B 18 VAL H . 36417 1 235 . 2 . 2 18 18 VAL HA H 1 3.80 0.05 . 1 . . . . B 18 VAL HA . 36417 1 236 . 2 . 2 18 18 VAL HB H 1 2.08 0.05 . 1 . . . . B 18 VAL HB . 36417 1 237 . 2 . 2 18 18 VAL HG11 H 1 0.99 0.05 . 1 . . . . B 18 VAL HG11 . 36417 1 238 . 2 . 2 18 18 VAL HG12 H 1 0.99 0.05 . 1 . . . . B 18 VAL HG12 . 36417 1 239 . 2 . 2 18 18 VAL HG13 H 1 0.99 0.05 . 1 . . . . B 18 VAL HG13 . 36417 1 240 . 2 . 2 18 18 VAL HG21 H 1 0.86 0.05 . 1 . . . . B 18 VAL HG21 . 36417 1 241 . 2 . 2 18 18 VAL HG22 H 1 0.86 0.05 . 1 . . . . B 18 VAL HG22 . 36417 1 242 . 2 . 2 18 18 VAL HG23 H 1 0.86 0.05 . 1 . . . . B 18 VAL HG23 . 36417 1 243 . 2 . 2 19 19 CYS H H 1 8.60 0.05 . 1 . . . . B 19 CYS H . 36417 1 244 . 2 . 2 19 19 CYS HA H 1 4.70 0.05 . 1 . . . . B 19 CYS HA . 36417 1 245 . 2 . 2 19 19 CYS HB2 H 1 3.19 0.05 . 1 . . . . B 19 CYS HB2 . 36417 1 246 . 2 . 2 19 19 CYS HB3 H 1 2.87 0.05 . 1 . . . . B 19 CYS HB3 . 36417 1 247 . 2 . 2 20 20 GLY H H 1 7.79 0.05 . 1 . . . . B 20 GLY H . 36417 1 248 . 2 . 2 20 20 GLY HA2 H 1 3.85 0.05 . 1 . . . . B 20 GLY HA2 . 36417 1 249 . 2 . 2 20 20 GLY HA3 H 1 3.85 0.05 . 1 . . . . B 20 GLY HA3 . 36417 1 250 . 2 . 2 21 21 GLU H H 1 8.13 0.05 . 1 . . . . B 21 GLU H . 36417 1 251 . 2 . 2 21 21 GLU HA H 1 4.20 0.05 . 1 . . . . B 21 GLU HA . 36417 1 252 . 2 . 2 21 21 GLU HB2 H 1 2.14 0.05 . 1 . . . . B 21 GLU HB2 . 36417 1 253 . 2 . 2 21 21 GLU HB3 H 1 2.05 0.05 . 1 . . . . B 21 GLU HB3 . 36417 1 254 . 2 . 2 21 21 GLU HG2 H 1 2.48 0.05 . 1 . . . . B 21 GLU HG2 . 36417 1 255 . 2 . 2 21 21 GLU HG3 H 1 2.43 0.05 . 1 . . . . B 21 GLU HG3 . 36417 1 256 . 2 . 2 22 22 ARG H H 1 7.79 0.05 . 1 . . . . B 22 ARG H . 36417 1 257 . 2 . 2 22 22 ARG HA H 1 4.16 0.05 . 1 . . . . B 22 ARG HA . 36417 1 258 . 2 . 2 22 22 ARG HB2 H 1 1.93 0.05 . 1 . . . . B 22 ARG HB2 . 36417 1 259 . 2 . 2 22 22 ARG HB3 H 1 1.85 0.05 . 1 . . . . B 22 ARG HB3 . 36417 1 260 . 2 . 2 22 22 ARG HG2 H 1 1.71 0.05 . 1 . . . . B 22 ARG HG2 . 36417 1 261 . 2 . 2 22 22 ARG HG3 H 1 1.66 0.05 . 1 . . . . B 22 ARG HG3 . 36417 1 262 . 2 . 2 22 22 ARG HD2 H 1 3.19 0.05 . 1 . . . . B 22 ARG HD2 . 36417 1 263 . 2 . 2 22 22 ARG HD3 H 1 3.19 0.05 . 1 . . . . B 22 ARG HD3 . 36417 1 264 . 2 . 2 22 22 ARG HE H 1 7.29 0.05 . 1 . . . . B 22 ARG HE . 36417 1 265 . 2 . 2 23 23 GLY H H 1 7.74 0.05 . 1 . . . . B 23 GLY H . 36417 1 266 . 2 . 2 23 23 GLY HA2 H 1 3.87 0.05 . 1 . . . . B 23 GLY HA2 . 36417 1 267 . 2 . 2 23 23 GLY HA3 H 1 3.77 0.05 . 1 . . . . B 23 GLY HA3 . 36417 1 268 . 2 . 2 24 24 PHE H H 1 7.60 0.05 . 1 . . . . B 24 PHE H . 36417 1 269 . 2 . 2 24 24 PHE HA H 1 4.64 0.05 . 1 . . . . B 24 PHE HA . 36417 1 270 . 2 . 2 24 24 PHE HB2 H 1 3.07 0.05 . 1 . . . . B 24 PHE HB2 . 36417 1 271 . 2 . 2 24 24 PHE HB3 H 1 2.94 0.05 . 1 . . . . B 24 PHE HB3 . 36417 1 272 . 2 . 2 24 24 PHE HD1 H 1 7.19 0.05 . 1 . . . . B 24 PHE HD1 . 36417 1 273 . 2 . 2 24 24 PHE HE1 H 1 7.28 0.05 . 1 . . . . B 24 PHE HE1 . 36417 1 274 . 2 . 2 24 24 PHE HE2 H 1 7.28 0.05 . 1 . . . . B 24 PHE HE2 . 36417 1 275 . 2 . 2 24 24 PHE HZ H 1 7.22 0.05 . 1 . . . . B 24 PHE HZ . 36417 1 276 . 2 . 2 26 26 TYR H H 1 7.73 0.05 . 1 . . . . B 26 TYR H . 36417 1 277 . 2 . 2 26 26 TYR HA H 1 4.56 0.05 . 1 . . . . B 26 TYR HA . 36417 1 278 . 2 . 2 26 26 TYR HB2 H 1 2.96 0.05 . 1 . . . . B 26 TYR HB2 . 36417 1 279 . 2 . 2 26 26 TYR HB3 H 1 2.87 0.05 . 1 . . . . B 26 TYR HB3 . 36417 1 280 . 2 . 2 26 26 TYR HD1 H 1 7.02 0.05 . 1 . . . . B 26 TYR HD1 . 36417 1 281 . 2 . 2 26 26 TYR HD2 H 1 6.72 0.05 . 1 . . . . B 26 TYR HD2 . 36417 1 282 . 2 . 2 27 27 THR H H 1 7.61 0.05 . 1 . . . . B 27 THR H . 36417 1 283 . 2 . 2 27 27 THR HA H 1 4.54 0.05 . 1 . . . . B 27 THR HA . 36417 1 284 . 2 . 2 27 27 THR HB H 1 4.04 0.05 . 1 . . . . B 27 THR HB . 36417 1 285 . 2 . 2 27 27 THR HG21 H 1 1.15 0.05 . 1 . . . . B 27 THR HG21 . 36417 1 286 . 2 . 2 27 27 THR HG22 H 1 1.15 0.05 . 1 . . . . B 27 THR HG22 . 36417 1 287 . 2 . 2 27 27 THR HG23 H 1 1.15 0.05 . 1 . . . . B 27 THR HG23 . 36417 1 288 . 2 . 2 28 28 PRO HA H 1 4.31 0.05 . 1 . . . . B 28 PRO HA . 36417 1 289 . 2 . 2 28 28 PRO HB2 H 1 2.20 0.05 . 1 . . . . B 28 PRO HB2 . 36417 1 290 . 2 . 2 28 28 PRO HB3 H 1 1.89 0.05 . 1 . . . . B 28 PRO HB3 . 36417 1 291 . 2 . 2 28 28 PRO HG2 H 1 1.97 0.05 . 1 . . . . B 28 PRO HG2 . 36417 1 292 . 2 . 2 28 28 PRO HG3 H 1 1.90 0.05 . 1 . . . . B 28 PRO HG3 . 36417 1 293 . 2 . 2 28 28 PRO HD2 H 1 3.63 0.05 . 1 . . . . B 28 PRO HD2 . 36417 1 294 . 2 . 2 28 28 PRO HD3 H 1 3.63 0.05 . 1 . . . . B 28 PRO HD3 . 36417 1 295 . 2 . 2 29 29 LYS H H 1 8.07 0.05 . 1 . . . . B 29 LYS H . 36417 1 296 . 2 . 2 29 29 LYS HA H 1 4.33 0.05 . 1 . . . . B 29 LYS HA . 36417 1 297 . 2 . 2 29 29 LYS HB2 H 1 1.84 0.05 . 1 . . . . B 29 LYS HB2 . 36417 1 298 . 2 . 2 29 29 LYS HB3 H 1 1.72 0.05 . 1 . . . . B 29 LYS HB3 . 36417 1 299 . 2 . 2 29 29 LYS HG2 H 1 1.42 0.05 . 1 . . . . B 29 LYS HG2 . 36417 1 300 . 2 . 2 29 29 LYS HG3 H 1 1.41 0.05 . 1 . . . . B 29 LYS HG3 . 36417 1 301 . 2 . 2 29 29 LYS HD2 H 1 1.63 0.05 . 1 . . . . B 29 LYS HD2 . 36417 1 302 . 2 . 2 29 29 LYS HE2 H 1 2.92 0.05 . 1 . . . . B 29 LYS HE2 . 36417 1 303 . 2 . 2 29 29 LYS HE3 H 1 2.98 0.05 . 1 . . . . B 29 LYS HE3 . 36417 1 304 . 2 . 2 29 29 LYS HZ1 H 1 7.39 0.05 . 1 . . . . B 29 LYS HZ1 . 36417 1 305 . 2 . 2 29 29 LYS HZ2 H 1 7.39 0.05 . 1 . . . . B 29 LYS HZ2 . 36417 1 306 . 2 . 2 29 29 LYS HZ3 H 1 7.39 0.05 . 1 . . . . B 29 LYS HZ3 . 36417 1 307 . 3 . 3 1 1 VAL HA H 1 3.60 0.05 . 1 . . . . C 1 VAL HA . 36417 1 308 . 3 . 3 2 2 TYR H H 1 8.13 0.05 . 1 . . . . C 2 TYR H . 36417 1 309 . 3 . 3 2 2 TYR HA H 1 3.70 0.05 . 1 . . . . C 2 TYR HA . 36417 1 310 . 3 . 3 2 2 TYR HB2 H 1 3.00 0.05 . 1 . . . . C 2 TYR HB2 . 36417 1 311 . 3 . 3 2 2 TYR HB3 H 1 2.90 0.05 . 1 . . . . C 2 TYR HB3 . 36417 1 312 . 3 . 3 3 3 TYR HB2 H 1 2.97 0.05 . 1 . . . . C 3 TYR HB2 . 36417 1 313 . 3 . 3 3 3 TYR HB3 H 1 2.88 0.05 . 1 . . . . C 3 TYR HB3 . 36417 1 314 . 3 . 3 4 4 ARG HA H 1 3.84 0.05 . 1 . . . . C 4 ARG HA . 36417 1 315 . 3 . 3 4 4 ARG HD2 H 1 3.20 0.05 . 1 . . . . C 4 ARG HD2 . 36417 1 316 . 3 . 3 4 4 ARG HD3 H 1 3.20 0.05 . 1 . . . . C 4 ARG HD3 . 36417 1 stop_ save_