################################### # 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 34558 _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 '2D 1H-1H NOESY' . . . 34558 1 2 '2D 1H-1H TOCSY' . . . 34558 1 3 '2D 1H-15N HSQC' . . . 34558 1 4 '3D 1H-15N NOESY' . . . 34558 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 ARG HA H 1 4.275 0.000 . 1 . . . . A 11 ARG HA . 34558 1 2 . 1 . 1 1 1 ARG HB2 H 1 1.835 0.000 . 2 . . . . A 11 ARG HB2 . 34558 1 3 . 1 . 1 1 1 ARG HB3 H 1 1.835 0.000 . 2 . . . . A 11 ARG HB3 . 34558 1 4 . 1 . 1 1 1 ARG HG2 H 1 1.596 0.000 . 2 . . . . A 11 ARG HG2 . 34558 1 5 . 1 . 1 1 1 ARG HG3 H 1 1.596 0.000 . 2 . . . . A 11 ARG HG3 . 34558 1 6 . 1 . 1 1 1 ARG HD2 H 1 3.152 0.000 . 2 . . . . A 11 ARG HD2 . 34558 1 7 . 1 . 1 1 1 ARG HD3 H 1 3.152 0.000 . 2 . . . . A 11 ARG HD3 . 34558 1 8 . 1 . 1 1 1 ARG HE H 1 7.544 0.000 . 1 . . . . A 11 ARG HE . 34558 1 9 . 1 . 1 1 1 ARG NE N 15 84.851 0.000 . 1 . . . . A 11 ARG NE . 34558 1 10 . 1 . 1 2 2 ILE H H 1 9.033 0.000 . 1 . . . . A 12 ILE H . 34558 1 11 . 1 . 1 2 2 ILE HA H 1 4.497 0.000 . 1 . . . . A 12 ILE HA . 34558 1 12 . 1 . 1 2 2 ILE HB H 1 1.871 0.000 . 1 . . . . A 12 ILE HB . 34558 1 13 . 1 . 1 2 2 ILE HG21 H 1 0.937 0.000 . 1 . . . . A 12 ILE HG21 . 34558 1 14 . 1 . 1 2 2 ILE HG22 H 1 0.937 0.000 . 1 . . . . A 12 ILE HG22 . 34558 1 15 . 1 . 1 2 2 ILE HG23 H 1 0.937 0.000 . 1 . . . . A 12 ILE HG23 . 34558 1 16 . 1 . 1 2 2 ILE HD11 H 1 1.176 0.000 . 1 . . . . A 12 ILE HD11 . 34558 1 17 . 1 . 1 2 2 ILE HD12 H 1 1.176 0.000 . 1 . . . . A 12 ILE HD12 . 34558 1 18 . 1 . 1 2 2 ILE HD13 H 1 1.176 0.000 . 1 . . . . A 12 ILE HD13 . 34558 1 19 . 1 . 1 2 2 ILE N N 15 124.856 0.000 . 1 . . . . A 12 ILE N . 34558 1 20 . 1 . 1 3 3 CYS H H 1 8.813 0.000 . 1 . . . . A 13 CYS H . 34558 1 21 . 1 . 1 3 3 CYS HA H 1 5.434 0.000 . 1 . . . . A 13 CYS HA . 34558 1 22 . 1 . 1 3 3 CYS HB2 H 1 3.085 0.000 . 1 . . . . A 13 CYS HB2 . 34558 1 23 . 1 . 1 3 3 CYS HB3 H 1 2.452 0.000 . 1 . . . . A 13 CYS HB3 . 34558 1 24 . 1 . 1 3 3 CYS N N 15 124.042 0.000 . 1 . . . . A 13 CYS N . 34558 1 25 . 1 . 1 4 4 GLN H H 1 8.748 0.000 . 1 . . . . A 14 GLN H . 34558 1 26 . 1 . 1 4 4 GLN HA H 1 4.921 0.000 . 1 . . . . A 14 GLN HA . 34558 1 27 . 1 . 1 4 4 GLN HB2 H 1 2.460 0.000 . 2 . . . . A 14 GLN HB2 . 34558 1 28 . 1 . 1 4 4 GLN HB3 H 1 2.460 0.000 . 2 . . . . A 14 GLN HB3 . 34558 1 29 . 1 . 1 4 4 GLN HG2 H 1 2.300 0.000 . 2 . . . . A 14 GLN HG2 . 34558 1 30 . 1 . 1 4 4 GLN HG3 H 1 2.300 0.000 . 2 . . . . A 14 GLN HG3 . 34558 1 31 . 1 . 1 4 4 GLN HE21 H 1 7.168 0.000 . 2 . . . . A 14 GLN HE21 . 34558 1 32 . 1 . 1 4 4 GLN HE22 H 1 7.041 0.000 . 2 . . . . A 14 GLN HE22 . 34558 1 33 . 1 . 1 4 4 GLN N N 15 120.877 0.000 . 1 . . . . A 14 GLN N . 34558 1 34 . 1 . 1 4 4 GLN NE2 N 15 107.670 0.000 . 1 . . . . A 14 GLN NE2 . 34558 1 35 . 1 . 1 5 5 PHE H H 1 8.316 0.000 . 1 . . . . A 15 PHE H . 34558 1 36 . 1 . 1 5 5 PHE HA H 1 5.646 0.000 . 1 . . . . A 15 PHE HA . 34558 1 37 . 1 . 1 5 5 PHE HB2 H 1 3.053 0.000 . 2 . . . . A 15 PHE HB2 . 34558 1 38 . 1 . 1 5 5 PHE HB3 H 1 3.053 0.000 . 2 . . . . A 15 PHE HB3 . 34558 1 39 . 1 . 1 5 5 PHE HD1 H 1 7.235 0.000 . 1 . . . . A 15 PHE HD1 . 34558 1 40 . 1 . 1 5 5 PHE HD2 H 1 7.235 0.000 . 1 . . . . A 15 PHE HD2 . 34558 1 41 . 1 . 1 5 5 PHE N N 15 118.193 0.000 . 1 . . . . A 15 PHE N . 34558 1 42 . 1 . 1 6 6 VAL H H 1 9.106 0.000 . 1 . . . . A 16 VAL H . 34558 1 43 . 1 . 1 6 6 VAL HA H 1 4.849 0.000 . 1 . . . . A 16 VAL HA . 34558 1 44 . 1 . 1 6 6 VAL HB H 1 2.088 0.000 . 1 . . . . A 16 VAL HB . 34558 1 45 . 1 . 1 6 6 VAL HG11 H 1 0.946 0.000 . 2 . . . . A 16 VAL HG11 . 34558 1 46 . 1 . 1 6 6 VAL HG12 H 1 0.946 0.000 . 2 . . . . A 16 VAL HG12 . 34558 1 47 . 1 . 1 6 6 VAL HG13 H 1 0.946 0.000 . 2 . . . . A 16 VAL HG13 . 34558 1 48 . 1 . 1 6 6 VAL HG21 H 1 0.946 0.000 . 2 . . . . A 16 VAL HG21 . 34558 1 49 . 1 . 1 6 6 VAL HG22 H 1 0.946 0.000 . 2 . . . . A 16 VAL HG22 . 34558 1 50 . 1 . 1 6 6 VAL HG23 H 1 0.946 0.000 . 2 . . . . A 16 VAL HG23 . 34558 1 51 . 1 . 1 6 6 VAL N N 15 120.471 0.000 . 1 . . . . A 16 VAL N . 34558 1 52 . 1 . 1 7 7 LEU H H 1 9.629 0.000 . 1 . . . . A 17 LEU H . 34558 1 53 . 1 . 1 7 7 LEU HA H 1 5.589 0.000 . 1 . . . . A 17 LEU HA . 34558 1 54 . 1 . 1 7 7 LEU HB2 H 1 2.223 0.000 . 2 . . . . A 17 LEU HB2 . 34558 1 55 . 1 . 1 7 7 LEU HB3 H 1 2.223 0.000 . 2 . . . . A 17 LEU HB3 . 34558 1 56 . 1 . 1 7 7 LEU HD11 H 1 0.961 0.000 . 2 . . . . A 17 LEU HD11 . 34558 1 57 . 1 . 1 7 7 LEU HD12 H 1 0.961 0.000 . 2 . . . . A 17 LEU HD12 . 34558 1 58 . 1 . 1 7 7 LEU HD13 H 1 0.961 0.000 . 2 . . . . A 17 LEU HD13 . 34558 1 59 . 1 . 1 7 7 LEU HD21 H 1 0.961 0.000 . 2 . . . . A 17 LEU HD21 . 34558 1 60 . 1 . 1 7 7 LEU HD22 H 1 0.961 0.000 . 2 . . . . A 17 LEU HD22 . 34558 1 61 . 1 . 1 7 7 LEU HD23 H 1 0.961 0.000 . 2 . . . . A 17 LEU HD23 . 34558 1 62 . 1 . 1 7 7 LEU N N 15 129.675 0.000 . 1 . . . . A 17 LEU N . 34558 1 63 . 1 . 1 8 8 ILE H H 1 9.370 0.000 . 1 . . . . A 18 ILE H . 34558 1 64 . 1 . 1 8 8 ILE HA H 1 5.056 0.000 . 1 . . . . A 18 ILE HA . 34558 1 65 . 1 . 1 8 8 ILE HB H 1 1.790 0.000 . 1 . . . . A 18 ILE HB . 34558 1 66 . 1 . 1 8 8 ILE HG21 H 1 1.072 0.000 . 1 . . . . A 18 ILE HG21 . 34558 1 67 . 1 . 1 8 8 ILE HG22 H 1 1.072 0.000 . 1 . . . . A 18 ILE HG22 . 34558 1 68 . 1 . 1 8 8 ILE HG23 H 1 1.072 0.000 . 1 . . . . A 18 ILE HG23 . 34558 1 69 . 1 . 1 8 8 ILE HD11 H 1 0.957 0.000 . 1 . . . . A 18 ILE HD11 . 34558 1 70 . 1 . 1 8 8 ILE HD12 H 1 0.957 0.000 . 1 . . . . A 18 ILE HD12 . 34558 1 71 . 1 . 1 8 8 ILE HD13 H 1 0.957 0.000 . 1 . . . . A 18 ILE HD13 . 34558 1 72 . 1 . 1 8 8 ILE N N 15 125.608 0.000 . 1 . . . . A 18 ILE N . 34558 1 73 . 1 . 1 9 9 ARG H H 1 8.882 0.000 . 1 . . . . A 19 ARG H . 34558 1 74 . 1 . 1 9 9 ARG HA H 1 5.086 0.000 . 1 . . . . A 19 ARG HA . 34558 1 75 . 1 . 1 9 9 ARG HB2 H 1 1.663 0.000 . 1 . . . . A 19 ARG HB2 . 34558 1 76 . 1 . 1 9 9 ARG HB3 H 1 1.816 0.000 . 1 . . . . A 19 ARG HB3 . 34558 1 77 . 1 . 1 9 9 ARG HG2 H 1 1.351 0.000 . 2 . . . . A 19 ARG HG2 . 34558 1 78 . 1 . 1 9 9 ARG HG3 H 1 1.105 0.000 . 2 . . . . A 19 ARG HG3 . 34558 1 79 . 1 . 1 9 9 ARG HD2 H 1 3.055 0.000 . 2 . . . . A 19 ARG HD2 . 34558 1 80 . 1 . 1 9 9 ARG HD3 H 1 3.055 0.000 . 2 . . . . A 19 ARG HD3 . 34558 1 81 . 1 . 1 9 9 ARG HE H 1 7.266 0.000 . 1 . . . . A 19 ARG HE . 34558 1 82 . 1 . 1 9 9 ARG N N 15 127.115 0.000 . 1 . . . . A 19 ARG N . 34558 1 83 . 1 . 1 9 9 ARG NE N 15 84.579 0.000 . 1 . . . . A 19 ARG NE . 34558 1 84 . 1 . 1 10 10 VAL H H 1 8.626 0.000 . 1 . . . . A 20 VAL H . 34558 1 85 . 1 . 1 10 10 VAL HA H 1 5.225 0.000 . 1 . . . . A 20 VAL HA . 34558 1 86 . 1 . 1 10 10 VAL HB H 1 1.963 0.000 . 1 . . . . A 20 VAL HB . 34558 1 87 . 1 . 1 10 10 VAL HG11 H 1 0.946 0.000 . 2 . . . . A 20 VAL HG11 . 34558 1 88 . 1 . 1 10 10 VAL HG12 H 1 0.946 0.000 . 2 . . . . A 20 VAL HG12 . 34558 1 89 . 1 . 1 10 10 VAL HG13 H 1 0.946 0.000 . 2 . . . . A 20 VAL HG13 . 34558 1 90 . 1 . 1 10 10 VAL HG21 H 1 0.946 0.000 . 2 . . . . A 20 VAL HG21 . 34558 1 91 . 1 . 1 10 10 VAL HG22 H 1 0.946 0.000 . 2 . . . . A 20 VAL HG22 . 34558 1 92 . 1 . 1 10 10 VAL HG23 H 1 0.946 0.000 . 2 . . . . A 20 VAL HG23 . 34558 1 93 . 1 . 1 10 10 VAL N N 15 124.862 0.000 . 1 . . . . A 20 VAL N . 34558 1 94 . 1 . 1 11 11 CYS H H 1 9.577 0.000 . 1 . . . . A 21 CYS H . 34558 1 95 . 1 . 1 11 11 CYS HA H 1 5.631 0.000 . 1 . . . . A 21 CYS HA . 34558 1 96 . 1 . 1 11 11 CYS HB2 H 1 2.909 0.000 . 1 . . . . A 21 CYS HB2 . 34558 1 97 . 1 . 1 11 11 CYS HB3 H 1 2.731 0.000 . 1 . . . . A 21 CYS HB3 . 34558 1 98 . 1 . 1 11 11 CYS N N 15 125.949 0.000 . 1 . . . . A 21 CYS N . 34558 1 99 . 1 . 1 12 12 ARG H H 1 8.586 0.000 . 1 . . . . A 22 ARG H . 34558 1 100 . 1 . 1 12 12 ARG HA H 1 4.353 0.000 . 1 . . . . A 22 ARG HA . 34558 1 101 . 1 . 1 12 12 ARG HB2 H 1 1.854 0.000 . 2 . . . . A 22 ARG HB2 . 34558 1 102 . 1 . 1 12 12 ARG HB3 H 1 1.854 0.000 . 2 . . . . A 22 ARG HB3 . 34558 1 103 . 1 . 1 12 12 ARG HG2 H 1 1.667 0.000 . 2 . . . . A 22 ARG HG2 . 34558 1 104 . 1 . 1 12 12 ARG HG3 H 1 1.667 0.000 . 2 . . . . A 22 ARG HG3 . 34558 1 105 . 1 . 1 12 12 ARG HD2 H 1 3.168 0.000 . 2 . . . . A 22 ARG HD2 . 34558 1 106 . 1 . 1 12 12 ARG HD3 H 1 3.168 0.000 . 2 . . . . A 22 ARG HD3 . 34558 1 107 . 1 . 1 12 12 ARG HE H 1 7.487 0.000 . 1 . . . . A 22 ARG HE . 34558 1 108 . 1 . 1 12 12 ARG N N 15 126.381 0.000 . 1 . . . . A 22 ARG N . 34558 1 109 . 1 . 1 12 12 ARG NE N 15 84.852 0.000 . 1 . . . . A 22 ARG NE . 34558 1 110 . 2 . 1 2 2 ILE H H 1 9.027 0.000 . 1 . . . . B 112 ILE H . 34558 1 111 . 2 . 1 2 2 ILE HA H 1 4.492 0.000 . 1 . . . . B 112 ILE HA . 34558 1 112 . 2 . 1 2 2 ILE HB H 1 1.876 0.000 . 1 . . . . B 112 ILE HB . 34558 1 113 . 2 . 1 2 2 ILE HG21 H 1 0.948 0.000 . 1 . . . . B 112 ILE HG21 . 34558 1 114 . 2 . 1 2 2 ILE HG22 H 1 0.948 0.000 . 1 . . . . B 112 ILE HG22 . 34558 1 115 . 2 . 1 2 2 ILE HG23 H 1 0.948 0.000 . 1 . . . . B 112 ILE HG23 . 34558 1 116 . 2 . 1 2 2 ILE N N 15 124.655 0.000 . 1 . . . . B 112 ILE N . 34558 1 117 . 2 . 1 3 3 CYS H H 1 8.717 0.000 . 1 . . . . B 113 CYS H . 34558 1 118 . 2 . 1 3 3 CYS HA H 1 5.806 0.000 . 1 . . . . B 113 CYS HA . 34558 1 119 . 2 . 1 3 3 CYS HB2 H 1 3.095 0.000 . 2 . . . . B 113 CYS HB2 . 34558 1 120 . 2 . 1 3 3 CYS HB3 H 1 3.095 0.000 . 2 . . . . B 113 CYS HB3 . 34558 1 121 . 2 . 1 3 3 CYS N N 15 124.577 0.000 . 1 . . . . B 113 CYS N . 34558 1 122 . 2 . 1 4 4 GLN H H 1 9.000 0.000 . 1 . . . . B 114 GLN H . 34558 1 123 . 2 . 1 4 4 GLN HA H 1 4.825 0.000 . 1 . . . . B 114 GLN HA . 34558 1 124 . 2 . 1 4 4 GLN HB2 H 1 2.052 0.000 . 1 . . . . B 114 GLN HB2 . 34558 1 125 . 2 . 1 4 4 GLN HB3 H 1 2.517 0.000 . 1 . . . . B 114 GLN HB3 . 34558 1 126 . 2 . 1 4 4 GLN HG2 H 1 2.327 0.000 . 2 . . . . B 114 GLN HG2 . 34558 1 127 . 2 . 1 4 4 GLN HG3 H 1 2.163 0.000 . 2 . . . . B 114 GLN HG3 . 34558 1 128 . 2 . 1 4 4 GLN HE21 H 1 7.385 0.000 . 2 . . . . B 114 GLN HE21 . 34558 1 129 . 2 . 1 4 4 GLN HE22 H 1 6.853 0.000 . 2 . . . . B 114 GLN HE22 . 34558 1 130 . 2 . 1 4 4 GLN N N 15 120.189 0.000 . 1 . . . . B 114 GLN N . 34558 1 131 . 2 . 1 4 4 GLN NE2 N 15 110.655 0.000 . 1 . . . . B 114 GLN NE2 . 34558 1 132 . 2 . 1 5 5 PHE H H 1 9.035 0.000 . 1 . . . . B 115 PHE H . 34558 1 133 . 2 . 1 5 5 PHE HA H 1 5.796 0.000 . 1 . . . . B 115 PHE HA . 34558 1 134 . 2 . 1 5 5 PHE HB2 H 1 3.064 0.000 . 1 . . . . B 115 PHE HB2 . 34558 1 135 . 2 . 1 5 5 PHE HB3 H 1 2.898 0.000 . 1 . . . . B 115 PHE HB3 . 34558 1 136 . 2 . 1 5 5 PHE HD1 H 1 7.354 0.000 . 1 . . . . B 115 PHE HD1 . 34558 1 137 . 2 . 1 5 5 PHE HD2 H 1 7.354 0.000 . 1 . . . . B 115 PHE HD2 . 34558 1 138 . 2 . 1 5 5 PHE N N 15 120.503 0.000 . 1 . . . . B 115 PHE N . 34558 1 139 . 2 . 1 6 6 VAL H H 1 9.227 0.000 . 1 . . . . B 116 VAL H . 34558 1 140 . 2 . 1 6 6 VAL HA H 1 4.405 0.000 . 1 . . . . B 116 VAL HA . 34558 1 141 . 2 . 1 6 6 VAL HB H 1 2.028 0.000 . 1 . . . . B 116 VAL HB . 34558 1 142 . 2 . 1 6 6 VAL HG11 H 1 0.959 0.000 . 2 . . . . B 116 VAL HG11 . 34558 1 143 . 2 . 1 6 6 VAL HG12 H 1 0.959 0.000 . 2 . . . . B 116 VAL HG12 . 34558 1 144 . 2 . 1 6 6 VAL HG13 H 1 0.959 0.000 . 2 . . . . B 116 VAL HG13 . 34558 1 145 . 2 . 1 6 6 VAL HG21 H 1 0.959 0.000 . 2 . . . . B 116 VAL HG21 . 34558 1 146 . 2 . 1 6 6 VAL HG22 H 1 0.959 0.000 . 2 . . . . B 116 VAL HG22 . 34558 1 147 . 2 . 1 6 6 VAL HG23 H 1 0.959 0.000 . 2 . . . . B 116 VAL HG23 . 34558 1 148 . 2 . 1 6 6 VAL N N 15 121.570 0.000 . 1 . . . . B 116 VAL N . 34558 1 149 . 2 . 1 7 7 LEU H H 1 8.881 0.000 . 1 . . . . B 117 LEU H . 34558 1 150 . 2 . 1 7 7 LEU HA H 1 5.492 0.000 . 1 . . . . B 117 LEU HA . 34558 1 151 . 2 . 1 7 7 LEU HB2 H 1 2.029 0.000 . 2 . . . . B 117 LEU HB2 . 34558 1 152 . 2 . 1 7 7 LEU HB3 H 1 1.562 0.000 . 2 . . . . B 117 LEU HB3 . 34558 1 153 . 2 . 1 7 7 LEU HG H 1 1.341 0.000 . 1 . . . . B 117 LEU HG . 34558 1 154 . 2 . 1 7 7 LEU HD11 H 1 0.987 0.000 . 2 . . . . B 117 LEU HD11 . 34558 1 155 . 2 . 1 7 7 LEU HD12 H 1 0.987 0.000 . 2 . . . . B 117 LEU HD12 . 34558 1 156 . 2 . 1 7 7 LEU HD13 H 1 0.987 0.000 . 2 . . . . B 117 LEU HD13 . 34558 1 157 . 2 . 1 7 7 LEU HD21 H 1 0.987 0.000 . 2 . . . . B 117 LEU HD21 . 34558 1 158 . 2 . 1 7 7 LEU HD22 H 1 0.987 0.000 . 2 . . . . B 117 LEU HD22 . 34558 1 159 . 2 . 1 7 7 LEU HD23 H 1 0.987 0.000 . 2 . . . . B 117 LEU HD23 . 34558 1 160 . 2 . 1 7 7 LEU N N 15 129.086 0.000 . 1 . . . . B 117 LEU N . 34558 1 161 . 2 . 1 8 8 ILE H H 1 9.408 0.000 . 1 . . . . B 118 ILE H . 34558 1 162 . 2 . 1 8 8 ILE HA H 1 4.558 0.000 . 1 . . . . B 118 ILE HA . 34558 1 163 . 2 . 1 8 8 ILE HB H 1 1.894 0.000 . 1 . . . . B 118 ILE HB . 34558 1 164 . 2 . 1 8 8 ILE HG21 H 1 0.998 0.000 . 1 . . . . B 118 ILE HG21 . 34558 1 165 . 2 . 1 8 8 ILE HG22 H 1 0.998 0.000 . 1 . . . . B 118 ILE HG22 . 34558 1 166 . 2 . 1 8 8 ILE HG23 H 1 0.998 0.000 . 1 . . . . B 118 ILE HG23 . 34558 1 167 . 2 . 1 8 8 ILE HD11 H 1 0.916 0.000 . 1 . . . . B 118 ILE HD11 . 34558 1 168 . 2 . 1 8 8 ILE HD12 H 1 0.916 0.000 . 1 . . . . B 118 ILE HD12 . 34558 1 169 . 2 . 1 8 8 ILE HD13 H 1 0.916 0.000 . 1 . . . . B 118 ILE HD13 . 34558 1 170 . 2 . 1 8 8 ILE N N 15 127.512 0.000 . 1 . . . . B 118 ILE N . 34558 1 171 . 2 . 1 9 9 ARG H H 1 8.723 0.000 . 1 . . . . B 119 ARG H . 34558 1 172 . 2 . 1 9 9 ARG HA H 1 5.165 0.000 . 1 . . . . B 119 ARG HA . 34558 1 173 . 2 . 1 9 9 ARG HB2 H 1 1.601 0.000 . 1 . . . . B 119 ARG HB2 . 34558 1 174 . 2 . 1 9 9 ARG HB3 H 1 1.829 0.000 . 1 . . . . B 119 ARG HB3 . 34558 1 175 . 2 . 1 9 9 ARG HG2 H 1 1.565 0.000 . 2 . . . . B 119 ARG HG2 . 34558 1 176 . 2 . 1 9 9 ARG HG3 H 1 1.380 0.000 . 2 . . . . B 119 ARG HG3 . 34558 1 177 . 2 . 1 9 9 ARG HD2 H 1 3.149 0.000 . 2 . . . . B 119 ARG HD2 . 34558 1 178 . 2 . 1 9 9 ARG HD3 H 1 3.149 0.000 . 2 . . . . B 119 ARG HD3 . 34558 1 179 . 2 . 1 9 9 ARG HE H 1 7.240 0.000 . 1 . . . . B 119 ARG HE . 34558 1 180 . 2 . 1 9 9 ARG N N 15 126.316 0.000 . 1 . . . . B 119 ARG N . 34558 1 181 . 2 . 1 9 9 ARG NE N 15 84.486 0.000 . 1 . . . . B 119 ARG NE . 34558 1 182 . 2 . 1 10 10 VAL H H 1 8.555 0.000 . 1 . . . . B 120 VAL H . 34558 1 183 . 2 . 1 10 10 VAL HA H 1 4.458 0.000 . 1 . . . . B 120 VAL HA . 34558 1 184 . 2 . 1 10 10 VAL HB H 1 1.961 0.000 . 1 . . . . B 120 VAL HB . 34558 1 185 . 2 . 1 10 10 VAL HG11 H 1 0.930 0.000 . 2 . . . . B 120 VAL HG11 . 34558 1 186 . 2 . 1 10 10 VAL HG12 H 1 0.930 0.000 . 2 . . . . B 120 VAL HG12 . 34558 1 187 . 2 . 1 10 10 VAL HG13 H 1 0.930 0.000 . 2 . . . . B 120 VAL HG13 . 34558 1 188 . 2 . 1 10 10 VAL HG21 H 1 0.930 0.000 . 2 . . . . B 120 VAL HG21 . 34558 1 189 . 2 . 1 10 10 VAL HG22 H 1 0.930 0.000 . 2 . . . . B 120 VAL HG22 . 34558 1 190 . 2 . 1 10 10 VAL HG23 H 1 0.930 0.000 . 2 . . . . B 120 VAL HG23 . 34558 1 191 . 2 . 1 10 10 VAL N N 15 123.711 0.000 . 1 . . . . B 120 VAL N . 34558 1 192 . 2 . 1 11 11 CYS H H 1 9.075 0.000 . 1 . . . . B 121 CYS H . 34558 1 193 . 2 . 1 11 11 CYS HA H 1 5.659 0.000 . 1 . . . . B 121 CYS HA . 34558 1 194 . 2 . 1 11 11 CYS HB2 H 1 3.231 0.000 . 1 . . . . B 121 CYS HB2 . 34558 1 195 . 2 . 1 11 11 CYS HB3 H 1 2.678 0.000 . 1 . . . . B 121 CYS HB3 . 34558 1 196 . 2 . 1 11 11 CYS N N 15 126.882 0.000 . 1 . . . . B 121 CYS N . 34558 1 197 . 2 . 1 12 12 ARG H H 1 8.421 0.000 . 1 . . . . B 122 ARG H . 34558 1 198 . 2 . 1 12 12 ARG HA H 1 4.334 0.000 . 1 . . . . B 122 ARG HA . 34558 1 199 . 2 . 1 12 12 ARG HB2 H 1 1.946 0.000 . 2 . . . . B 122 ARG HB2 . 34558 1 200 . 2 . 1 12 12 ARG HB3 H 1 1.807 0.000 . 2 . . . . B 122 ARG HB3 . 34558 1 201 . 2 . 1 12 12 ARG HG2 H 1 1.654 0.000 . 2 . . . . B 122 ARG HG2 . 34558 1 202 . 2 . 1 12 12 ARG HG3 H 1 1.654 0.000 . 2 . . . . B 122 ARG HG3 . 34558 1 203 . 2 . 1 12 12 ARG HD2 H 1 3.218 0.000 . 2 . . . . B 122 ARG HD2 . 34558 1 204 . 2 . 1 12 12 ARG HD3 H 1 3.259 0.000 . 2 . . . . B 122 ARG HD3 . 34558 1 205 . 2 . 1 12 12 ARG HE H 1 7.604 0.000 . 1 . . . . B 122 ARG HE . 34558 1 206 . 2 . 1 12 12 ARG N N 15 127.466 0.000 . 1 . . . . B 122 ARG N . 34558 1 207 . 2 . 1 12 12 ARG NE N 15 84.789 0.000 . 1 . . . . B 122 ARG NE . 34558 1 stop_ save_