################################### # 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 34633 _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 TOCSY' . . . 34633 1 2 '2D 1H-1H NOESY' . . . 34633 1 3 '2D 1H-13C HSQC' . . . 34633 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 PCA H H 1 7.899 0.000 . 1 . . . . A 1 PCA H . 34633 1 2 . 1 . 1 1 1 PCA CA C 13 59.443 0.000 . 1 . . . . A 1 PCA CA . 34633 1 3 . 1 . 1 1 1 PCA CB C 13 31.992 0.000 . 1 . . . . A 1 PCA CB . 34633 1 4 . 1 . 1 1 1 PCA CG C 13 28.163 0.000 . 1 . . . . A 1 PCA CG . 34633 1 5 . 1 . 1 1 1 PCA HA H 1 4.400 0.000 . 1 . . . . A 1 PCA HA . 34633 1 6 . 1 . 1 1 1 PCA HB2 H 1 2.420 0.000 . 1 . . . . A 1 PCA HB2 . 34633 1 7 . 1 . 1 1 1 PCA HB3 H 1 2.386 0.000 . 1 . . . . A 1 PCA HB3 . 34633 1 8 . 1 . 1 1 1 PCA HG2 H 1 1.957 0.000 . 2 . . . . A 1 PCA HG2 . 34633 1 9 . 1 . 1 1 1 PCA HG3 H 1 1.957 0.000 . 2 . . . . A 1 PCA HG3 . 34633 1 10 . 1 . 1 2 2 ILE H H 1 8.503 0.000 . 1 . . . . A 2 ILE H . 34633 1 11 . 1 . 1 2 2 ILE HA H 1 4.275 0.000 . 1 . . . . A 2 ILE HA . 34633 1 12 . 1 . 1 2 2 ILE HB H 1 1.868 0.000 . 1 . . . . A 2 ILE HB . 34633 1 13 . 1 . 1 2 2 ILE HG12 H 1 1.506 0.000 . 2 . . . . A 2 ILE HG12 . 34633 1 14 . 1 . 1 2 2 ILE HG13 H 1 1.179 0.000 . 2 . . . . A 2 ILE HG13 . 34633 1 15 . 1 . 1 2 2 ILE HG21 H 1 0.885 0.000 . 1 . . . . A 2 ILE HG21 . 34633 1 16 . 1 . 1 2 2 ILE HG22 H 1 0.885 0.000 . 1 . . . . A 2 ILE HG22 . 34633 1 17 . 1 . 1 2 2 ILE HG23 H 1 0.885 0.000 . 1 . . . . A 2 ILE HG23 . 34633 1 18 . 1 . 1 2 2 ILE HD11 H 1 0.850 0.000 . 1 . . . . A 2 ILE HD11 . 34633 1 19 . 1 . 1 2 2 ILE HD12 H 1 0.850 0.000 . 1 . . . . A 2 ILE HD12 . 34633 1 20 . 1 . 1 2 2 ILE HD13 H 1 0.850 0.000 . 1 . . . . A 2 ILE HD13 . 34633 1 21 . 1 . 1 2 2 ILE CA C 13 60.855 0.000 . 1 . . . . A 2 ILE CA . 34633 1 22 . 1 . 1 2 2 ILE CB C 13 38.721 0.000 . 1 . . . . A 2 ILE CB . 34633 1 23 . 1 . 1 2 2 ILE CG1 C 13 27.222 0.000 . 1 . . . . A 2 ILE CG1 . 34633 1 24 . 1 . 1 2 2 ILE CG2 C 13 17.308 0.000 . 1 . . . . A 2 ILE CG2 . 34633 1 25 . 1 . 1 2 2 ILE CD1 C 13 12.454 0.000 . 1 . . . . A 2 ILE CD1 . 34633 1 26 . 1 . 1 3 3 CYS H H 1 8.655 0.000 . 1 . . . . A 3 CYS H . 34633 1 27 . 1 . 1 3 3 CYS HA H 1 5.488 0.000 . 1 . . . . A 3 CYS HA . 34633 1 28 . 1 . 1 3 3 CYS HB2 H 1 3.044 0.000 . 2 . . . . A 3 CYS HB2 . 34633 1 29 . 1 . 1 3 3 CYS HB3 H 1 2.529 0.000 . 2 . . . . A 3 CYS HB3 . 34633 1 30 . 1 . 1 3 3 CYS CA C 13 55.691 0.000 . 1 . . . . A 3 CYS CA . 34633 1 31 . 1 . 1 3 3 CYS CB C 13 47.091 0.000 . 1 . . . . A 3 CYS CB . 34633 1 32 . 1 . 1 4 4 ARG H H 1 8.987 0.000 . 1 . . . . A 4 ARG H . 34633 1 33 . 1 . 1 4 4 ARG HA H 1 4.612 0.000 . 1 . . . . A 4 ARG HA . 34633 1 34 . 1 . 1 4 4 ARG HB2 H 1 1.750 0.000 . 2 . . . . A 4 ARG HB2 . 34633 1 35 . 1 . 1 4 4 ARG HB3 H 1 1.713 0.000 . 2 . . . . A 4 ARG HB3 . 34633 1 36 . 1 . 1 4 4 ARG HG2 H 1 1.499 0.000 . 1 . . . . A 4 ARG HG2 . 34633 1 37 . 1 . 1 4 4 ARG HG3 H 1 1.628 0.000 . 1 . . . . A 4 ARG HG3 . 34633 1 38 . 1 . 1 4 4 ARG HD2 H 1 3.148 0.000 . 2 . . . . A 4 ARG HD2 . 34633 1 39 . 1 . 1 4 4 ARG HD3 H 1 3.148 0.000 . 2 . . . . A 4 ARG HD3 . 34633 1 40 . 1 . 1 4 4 ARG HE H 1 7.109 0.000 . 1 . . . . A 4 ARG HE . 34633 1 41 . 1 . 1 4 4 ARG CA C 13 58.973 0.000 . 1 . . . . A 4 ARG CA . 34633 1 42 . 1 . 1 4 4 ARG CB C 13 32.952 0.000 . 1 . . . . A 4 ARG CB . 34633 1 43 . 1 . 1 4 4 ARG CG C 13 26.934 0.000 . 1 . . . . A 4 ARG CG . 34633 1 44 . 1 . 1 5 5 ILE H H 1 8.347 0.000 . 1 . . . . A 5 ILE H . 34633 1 45 . 1 . 1 5 5 ILE HA H 1 4.848 0.000 . 1 . . . . A 5 ILE HA . 34633 1 46 . 1 . 1 5 5 ILE HB H 1 1.740 0.000 . 1 . . . . A 5 ILE HB . 34633 1 47 . 1 . 1 5 5 ILE HG12 H 1 1.446 0.000 . 2 . . . . A 5 ILE HG12 . 34633 1 48 . 1 . 1 5 5 ILE HG13 H 1 1.113 0.000 . 2 . . . . A 5 ILE HG13 . 34633 1 49 . 1 . 1 5 5 ILE HG21 H 1 0.744 0.000 . 1 . . . . A 5 ILE HG21 . 34633 1 50 . 1 . 1 5 5 ILE HG22 H 1 0.744 0.000 . 1 . . . . A 5 ILE HG22 . 34633 1 51 . 1 . 1 5 5 ILE HG23 H 1 0.744 0.000 . 1 . . . . A 5 ILE HG23 . 34633 1 52 . 1 . 1 5 5 ILE HD11 H 1 0.742 0.000 . 1 . . . . A 5 ILE HD11 . 34633 1 53 . 1 . 1 5 5 ILE HD12 H 1 0.742 0.000 . 1 . . . . A 5 ILE HD12 . 34633 1 54 . 1 . 1 5 5 ILE HD13 H 1 0.742 0.000 . 1 . . . . A 5 ILE HD13 . 34633 1 55 . 1 . 1 5 5 ILE CB C 13 38.565 0.000 . 1 . . . . A 5 ILE CB . 34633 1 56 . 1 . 1 5 5 ILE CG1 C 13 27.136 0.000 . 1 . . . . A 5 ILE CG1 . 34633 1 57 . 1 . 1 5 5 ILE CG2 C 13 18.019 0.000 . 1 . . . . A 5 ILE CG2 . 34633 1 58 . 1 . 1 5 5 ILE CD1 C 13 11.934 0.000 . 1 . . . . A 5 ILE CD1 . 34633 1 59 . 1 . 1 6 6 ILE H H 1 9.165 0.000 . 1 . . . . A 6 ILE H . 34633 1 60 . 1 . 1 6 6 ILE HA H 1 4.431 0.000 . 1 . . . . A 6 ILE HA . 34633 1 61 . 1 . 1 6 6 ILE HB H 1 1.767 0.000 . 1 . . . . A 6 ILE HB . 34633 1 62 . 1 . 1 6 6 ILE HG12 H 1 1.046 0.000 . 1 . . . . A 6 ILE HG12 . 34633 1 63 . 1 . 1 6 6 ILE HG13 H 1 1.350 0.000 . 1 . . . . A 6 ILE HG13 . 34633 1 64 . 1 . 1 6 6 ILE HG21 H 1 0.811 0.000 . 1 . . . . A 6 ILE HG21 . 34633 1 65 . 1 . 1 6 6 ILE HG22 H 1 0.811 0.000 . 1 . . . . A 6 ILE HG22 . 34633 1 66 . 1 . 1 6 6 ILE HG23 H 1 0.811 0.000 . 1 . . . . A 6 ILE HG23 . 34633 1 67 . 1 . 1 6 6 ILE HD11 H 1 0.750 0.000 . 1 . . . . A 6 ILE HD11 . 34633 1 68 . 1 . 1 6 6 ILE HD12 H 1 0.750 0.000 . 1 . . . . A 6 ILE HD12 . 34633 1 69 . 1 . 1 6 6 ILE HD13 H 1 0.750 0.000 . 1 . . . . A 6 ILE HD13 . 34633 1 70 . 1 . 1 6 6 ILE CA C 13 58.128 0.000 . 1 . . . . A 6 ILE CA . 34633 1 71 . 1 . 1 6 6 ILE CB C 13 40.903 0.000 . 1 . . . . A 6 ILE CB . 34633 1 72 . 1 . 1 6 6 ILE CG1 C 13 26.983 0.000 . 1 . . . . A 6 ILE CG1 . 34633 1 73 . 1 . 1 6 6 ILE CG2 C 13 17.518 0.000 . 1 . . . . A 6 ILE CG2 . 34633 1 74 . 1 . 1 6 6 ILE CD1 C 13 13.328 0.000 . 1 . . . . A 6 ILE CD1 . 34633 1 75 . 1 . 1 7 7 VAL H H 1 8.269 0.000 . 1 . . . . A 7 VAL H . 34633 1 76 . 1 . 1 7 7 VAL HA H 1 4.636 0.000 . 1 . . . . A 7 VAL HA . 34633 1 77 . 1 . 1 7 7 VAL HB H 1 1.912 0.000 . 1 . . . . A 7 VAL HB . 34633 1 78 . 1 . 1 7 7 VAL HG11 H 1 0.821 0.000 . 1 . . . . A 7 VAL HG11 . 34633 1 79 . 1 . 1 7 7 VAL HG12 H 1 0.821 0.000 . 1 . . . . A 7 VAL HG12 . 34633 1 80 . 1 . 1 7 7 VAL HG13 H 1 0.821 0.000 . 1 . . . . A 7 VAL HG13 . 34633 1 81 . 1 . 1 7 7 VAL HG21 H 1 0.896 0.000 . 1 . . . . A 7 VAL HG21 . 34633 1 82 . 1 . 1 7 7 VAL HG22 H 1 0.896 0.000 . 1 . . . . A 7 VAL HG22 . 34633 1 83 . 1 . 1 7 7 VAL HG23 H 1 0.896 0.000 . 1 . . . . A 7 VAL HG23 . 34633 1 84 . 1 . 1 7 7 VAL CB C 13 33.323 0.000 . 1 . . . . A 7 VAL CB . 34633 1 85 . 1 . 1 7 7 VAL CG1 C 13 21.675 0.000 . 1 . . . . A 7 VAL CG1 . 34633 1 86 . 1 . 1 7 7 VAL CG2 C 13 20.982 0.000 . 1 . . . . A 7 VAL CG2 . 34633 1 87 . 1 . 1 8 8 VAL H H 1 8.975 0.000 . 1 . . . . A 8 VAL H . 34633 1 88 . 1 . 1 8 8 VAL HA H 1 4.368 0.000 . 1 . . . . A 8 VAL HA . 34633 1 89 . 1 . 1 8 8 VAL HB H 1 1.950 0.000 . 1 . . . . A 8 VAL HB . 34633 1 90 . 1 . 1 8 8 VAL HG11 H 1 0.794 0.000 . 2 . . . . A 8 VAL HG11 . 34633 1 91 . 1 . 1 8 8 VAL HG12 H 1 0.794 0.000 . 2 . . . . A 8 VAL HG12 . 34633 1 92 . 1 . 1 8 8 VAL HG13 H 1 0.794 0.000 . 2 . . . . A 8 VAL HG13 . 34633 1 93 . 1 . 1 8 8 VAL HG21 H 1 0.811 0.000 . 2 . . . . A 8 VAL HG21 . 34633 1 94 . 1 . 1 8 8 VAL HG22 H 1 0.811 0.000 . 2 . . . . A 8 VAL HG22 . 34633 1 95 . 1 . 1 8 8 VAL HG23 H 1 0.811 0.000 . 2 . . . . A 8 VAL HG23 . 34633 1 96 . 1 . 1 8 8 VAL CA C 13 60.694 0.000 . 1 . . . . A 8 VAL CA . 34633 1 97 . 1 . 1 8 8 VAL CB C 13 34.732 0.000 . 1 . . . . A 8 VAL CB . 34633 1 98 . 1 . 1 8 8 VAL CG1 C 13 20.298 0.000 . 1 . . . . A 8 VAL CG1 . 34633 1 99 . 1 . 1 8 8 VAL CG2 C 13 21.155 0.000 . 1 . . . . A 8 VAL CG2 . 34633 1 100 . 1 . 1 9 9 ARG H H 1 8.588 0.000 . 1 . . . . A 9 ARG H . 34633 1 101 . 1 . 1 9 9 ARG HA H 1 4.983 0.000 . 1 . . . . A 9 ARG HA . 34633 1 102 . 1 . 1 9 9 ARG HB2 H 1 1.742 0.000 . 2 . . . . A 9 ARG HB2 . 34633 1 103 . 1 . 1 9 9 ARG HB3 H 1 1.542 0.000 . 2 . . . . A 9 ARG HB3 . 34633 1 104 . 1 . 1 9 9 ARG HG2 H 1 1.363 0.000 . 2 . . . . A 9 ARG HG2 . 34633 1 105 . 1 . 1 9 9 ARG HG3 H 1 1.363 0.000 . 2 . . . . A 9 ARG HG3 . 34633 1 106 . 1 . 1 9 9 ARG HD2 H 1 3.115 0.000 . 2 . . . . A 9 ARG HD2 . 34633 1 107 . 1 . 1 9 9 ARG HD3 H 1 3.115 0.000 . 2 . . . . A 9 ARG HD3 . 34633 1 108 . 1 . 1 9 9 ARG HE H 1 7.202 0.000 . 1 . . . . A 9 ARG HE . 34633 1 109 . 1 . 1 9 9 ARG CA C 13 60.541 0.000 . 1 . . . . A 9 ARG CA . 34633 1 110 . 1 . 1 9 9 ARG CB C 13 31.760 0.000 . 1 . . . . A 9 ARG CB . 34633 1 111 . 1 . 1 9 9 ARG CG C 13 28.159 0.000 . 1 . . . . A 9 ARG CG . 34633 1 112 . 1 . 1 9 9 ARG CD C 13 43.560 0.000 . 1 . . . . A 9 ARG CD . 34633 1 113 . 1 . 1 10 10 VAL H H 1 8.519 0.000 . 1 . . . . A 10 VAL H . 34633 1 114 . 1 . 1 10 10 VAL HA H 1 4.280 0.000 . 1 . . . . A 10 VAL HA . 34633 1 115 . 1 . 1 10 10 VAL HB H 1 1.924 0.000 . 1 . . . . A 10 VAL HB . 34633 1 116 . 1 . 1 10 10 VAL HG11 H 1 0.871 0.000 . 2 . . . . A 10 VAL HG11 . 34633 1 117 . 1 . 1 10 10 VAL HG12 H 1 0.871 0.000 . 2 . . . . A 10 VAL HG12 . 34633 1 118 . 1 . 1 10 10 VAL HG13 H 1 0.871 0.000 . 2 . . . . A 10 VAL HG13 . 34633 1 119 . 1 . 1 10 10 VAL HG21 H 1 0.861 0.000 . 2 . . . . A 10 VAL HG21 . 34633 1 120 . 1 . 1 10 10 VAL HG22 H 1 0.861 0.000 . 2 . . . . A 10 VAL HG22 . 34633 1 121 . 1 . 1 10 10 VAL HG23 H 1 0.861 0.000 . 2 . . . . A 10 VAL HG23 . 34633 1 122 . 1 . 1 10 10 VAL CA C 13 61.247 0.000 . 1 . . . . A 10 VAL CA . 34633 1 123 . 1 . 1 10 10 VAL CB C 13 34.571 0.000 . 1 . . . . A 10 VAL CB . 34633 1 124 . 1 . 1 10 10 VAL CG1 C 13 21.036 0.000 . 1 . . . . A 10 VAL CG1 . 34633 1 125 . 1 . 1 10 10 VAL CG2 C 13 20.520 0.000 . 1 . . . . A 10 VAL CG2 . 34633 1 126 . 1 . 1 11 11 CYS H H 1 9.055 0.000 . 1 . . . . A 11 CYS H . 34633 1 127 . 1 . 1 11 11 CYS HA H 1 4.848 0.000 . 1 . . . . A 11 CYS HA . 34633 1 128 . 1 . 1 11 11 CYS HB2 H 1 3.487 0.000 . 2 . . . . A 11 CYS HB2 . 34633 1 129 . 1 . 1 11 11 CYS HB3 H 1 2.798 0.000 . 2 . . . . A 11 CYS HB3 . 34633 1 130 . 1 . 1 11 11 CYS CB C 13 47.092 0.000 . 1 . . . . A 11 CYS CB . 34633 1 131 . 1 . 1 12 12 ARG H H 1 7.790 0.000 . 1 . . . . A 12 ARG H . 34633 1 132 . 1 . 1 12 12 ARG HA H 1 4.832 0.000 . 1 . . . . A 12 ARG HA . 34633 1 133 . 1 . 1 12 12 ARG HB2 H 1 1.983 0.000 . 2 . . . . A 12 ARG HB2 . 34633 1 134 . 1 . 1 12 12 ARG HB3 H 1 1.498 0.000 . 2 . . . . A 12 ARG HB3 . 34633 1 135 . 1 . 1 12 12 ARG HG2 H 1 1.485 0.000 . 2 . . . . A 12 ARG HG2 . 34633 1 136 . 1 . 1 12 12 ARG HG3 H 1 1.523 0.000 . 2 . . . . A 12 ARG HG3 . 34633 1 137 . 1 . 1 12 12 ARG HD2 H 1 3.122 0.000 . 2 . . . . A 12 ARG HD2 . 34633 1 138 . 1 . 1 12 12 ARG HD3 H 1 3.122 0.000 . 2 . . . . A 12 ARG HD3 . 34633 1 139 . 1 . 1 12 12 ARG HE H 1 7.103 0.000 . 1 . . . . A 12 ARG HE . 34633 1 140 . 1 . 1 12 12 ARG CB C 13 31.422 0.000 . 1 . . . . A 12 ARG CB . 34633 1 141 . 1 . 1 12 12 ARG CG C 13 27.022 0.000 . 1 . . . . A 12 ARG CG . 34633 1 142 . 1 . 1 13 13 PRO HA H 1 4.193 0.000 . 1 . . . . A 13 PRO HA . 34633 1 143 . 1 . 1 13 13 PRO HB2 H 1 2.055 0.000 . 2 . . . . A 13 PRO HB2 . 34633 1 144 . 1 . 1 13 13 PRO HB3 H 1 2.191 0.000 . 2 . . . . A 13 PRO HB3 . 34633 1 145 . 1 . 1 13 13 PRO HG2 H 1 2.016 0.000 . 2 . . . . A 13 PRO HG2 . 34633 1 146 . 1 . 1 13 13 PRO HG3 H 1 1.824 0.000 . 2 . . . . A 13 PRO HG3 . 34633 1 147 . 1 . 1 13 13 PRO HD2 H 1 3.684 0.000 . 2 . . . . A 13 PRO HD2 . 34633 1 148 . 1 . 1 13 13 PRO HD3 H 1 3.604 0.000 . 2 . . . . A 13 PRO HD3 . 34633 1 149 . 1 . 1 13 13 PRO CA C 13 64.216 0.000 . 1 . . . . A 13 PRO CA . 34633 1 150 . 1 . 1 13 13 PRO CB C 13 34.109 0.000 . 1 . . . . A 13 PRO CB . 34633 1 151 . 1 . 1 13 13 PRO CG C 13 23.618 0.000 . 1 . . . . A 13 PRO CG . 34633 1 152 . 1 . 1 13 13 PRO CD C 13 50.835 0.000 . 1 . . . . A 13 PRO CD . 34633 1 153 . 1 . 1 14 14 ILE H H 1 7.362 0.000 . 1 . . . . A 14 ILE H . 34633 1 154 . 1 . 1 14 14 ILE HA H 1 4.076 0.000 . 1 . . . . A 14 ILE HA . 34633 1 155 . 1 . 1 14 14 ILE HB H 1 1.864 0.000 . 1 . . . . A 14 ILE HB . 34633 1 156 . 1 . 1 14 14 ILE HG12 H 1 1.486 0.000 . 2 . . . . A 14 ILE HG12 . 34633 1 157 . 1 . 1 14 14 ILE HG13 H 1 1.232 0.000 . 2 . . . . A 14 ILE HG13 . 34633 1 158 . 1 . 1 14 14 ILE HG21 H 1 0.906 0.000 . 1 . . . . A 14 ILE HG21 . 34633 1 159 . 1 . 1 14 14 ILE HG22 H 1 0.906 0.000 . 1 . . . . A 14 ILE HG22 . 34633 1 160 . 1 . 1 14 14 ILE HG23 H 1 0.906 0.000 . 1 . . . . A 14 ILE HG23 . 34633 1 161 . 1 . 1 14 14 ILE HD11 H 1 0.826 0.000 . 1 . . . . A 14 ILE HD11 . 34633 1 162 . 1 . 1 14 14 ILE HD12 H 1 0.826 0.000 . 1 . . . . A 14 ILE HD12 . 34633 1 163 . 1 . 1 14 14 ILE HD13 H 1 0.826 0.000 . 1 . . . . A 14 ILE HD13 . 34633 1 164 . 1 . 1 14 14 ILE CA C 13 60.379 0.000 . 1 . . . . A 14 ILE CA . 34633 1 165 . 1 . 1 14 14 ILE CB C 13 37.551 0.000 . 1 . . . . A 14 ILE CB . 34633 1 166 . 1 . 1 14 14 ILE CG1 C 13 27.696 0.000 . 1 . . . . A 14 ILE CG1 . 34633 1 167 . 1 . 1 14 14 ILE CG2 C 13 17.163 0.000 . 1 . . . . A 14 ILE CG2 . 34633 1 168 . 1 . 1 14 14 ILE CD1 C 13 11.501 0.000 . 1 . . . . A 14 ILE CD1 . 34633 1 169 . 1 . 1 15 15 CYS H H 1 8.998 0.000 . 1 . . . . A 15 CYS H . 34633 1 170 . 1 . 1 15 15 CYS HA H 1 5.071 0.000 . 1 . . . . A 15 CYS HA . 34633 1 171 . 1 . 1 15 15 CYS HB2 H 1 2.857 0.000 . 2 . . . . A 15 CYS HB2 . 34633 1 172 . 1 . 1 15 15 CYS HB3 H 1 2.512 0.000 . 2 . . . . A 15 CYS HB3 . 34633 1 173 . 1 . 1 15 15 CYS CA C 13 56.578 0.000 . 1 . . . . A 15 CYS CA . 34633 1 174 . 1 . 1 15 15 CYS CB C 13 41.459 0.000 . 1 . . . . A 15 CYS CB . 34633 1 175 . 1 . 1 16 16 ARG H H 1 8.877 0.000 . 1 . . . . A 16 ARG H . 34633 1 176 . 1 . 1 16 16 ARG HA H 1 4.627 0.000 . 1 . . . . A 16 ARG HA . 34633 1 177 . 1 . 1 16 16 ARG HB2 H 1 1.831 0.000 . 2 . . . . A 16 ARG HB2 . 34633 1 178 . 1 . 1 16 16 ARG HB3 H 1 1.777 0.000 . 2 . . . . A 16 ARG HB3 . 34633 1 179 . 1 . 1 16 16 ARG HG2 H 1 1.575 0.000 . 1 . . . . A 16 ARG HG2 . 34633 1 180 . 1 . 1 16 16 ARG HG3 H 1 1.662 0.000 . 1 . . . . A 16 ARG HG3 . 34633 1 181 . 1 . 1 16 16 ARG HD2 H 1 3.168 0.000 . 2 . . . . A 16 ARG HD2 . 34633 1 182 . 1 . 1 16 16 ARG HD3 H 1 3.168 0.000 . 2 . . . . A 16 ARG HD3 . 34633 1 183 . 1 . 1 16 16 ARG HE H 1 7.108 0.000 . 1 . . . . A 16 ARG HE . 34633 1 184 . 1 . 1 16 16 ARG CA C 13 54.673 0.000 . 1 . . . . A 16 ARG CA . 34633 1 185 . 1 . 1 16 16 ARG CB C 13 33.165 0.000 . 1 . . . . A 16 ARG CB . 34633 1 186 . 1 . 1 16 16 ARG CG C 13 26.750 0.000 . 1 . . . . A 16 ARG CG . 34633 1 187 . 1 . 1 16 16 ARG CD C 13 43.485 0.000 . 1 . . . . A 16 ARG CD . 34633 1 188 . 1 . 1 17 17 ILE H H 1 8.601 0.000 . 1 . . . . A 17 ILE H . 34633 1 189 . 1 . 1 17 17 ILE HA H 1 4.738 0.000 . 1 . . . . A 17 ILE HA . 34633 1 190 . 1 . 1 17 17 ILE HB H 1 1.743 0.000 . 1 . . . . A 17 ILE HB . 34633 1 191 . 1 . 1 17 17 ILE HG12 H 1 1.084 0.000 . 1 . . . . A 17 ILE HG12 . 34633 1 192 . 1 . 1 17 17 ILE HG13 H 1 1.458 0.000 . 1 . . . . A 17 ILE HG13 . 34633 1 193 . 1 . 1 17 17 ILE HG21 H 1 0.772 0.000 . 1 . . . . A 17 ILE HG21 . 34633 1 194 . 1 . 1 17 17 ILE HG22 H 1 0.772 0.000 . 1 . . . . A 17 ILE HG22 . 34633 1 195 . 1 . 1 17 17 ILE HG23 H 1 0.772 0.000 . 1 . . . . A 17 ILE HG23 . 34633 1 196 . 1 . 1 17 17 ILE HD11 H 1 0.760 0.000 . 1 . . . . A 17 ILE HD11 . 34633 1 197 . 1 . 1 17 17 ILE HD12 H 1 0.760 0.000 . 1 . . . . A 17 ILE HD12 . 34633 1 198 . 1 . 1 17 17 ILE HD13 H 1 0.760 0.000 . 1 . . . . A 17 ILE HD13 . 34633 1 199 . 1 . 1 17 17 ILE CB C 13 41.462 0.000 . 1 . . . . A 17 ILE CB . 34633 1 200 . 1 . 1 17 17 ILE CG1 C 13 27.537 0.000 . 1 . . . . A 17 ILE CG1 . 34633 1 201 . 1 . 1 17 17 ILE CG2 C 13 18.064 0.000 . 1 . . . . A 17 ILE CG2 . 34633 1 202 . 1 . 1 17 17 ILE CD1 C 13 12.301 0.000 . 1 . . . . A 17 ILE CD1 . 34633 1 203 . 1 . 1 18 18 THR H H 1 9.007 0.000 . 1 . . . . A 18 THR H . 34633 1 204 . 1 . 1 18 18 THR HA H 1 4.605 0.000 . 1 . . . . A 18 THR HA . 34633 1 205 . 1 . 1 18 18 THR HB H 1 3.952 0.000 . 1 . . . . A 18 THR HB . 34633 1 206 . 1 . 1 18 18 THR HG21 H 1 1.118 0.000 . 1 . . . . A 18 THR HG21 . 34633 1 207 . 1 . 1 18 18 THR HG22 H 1 1.118 0.000 . 1 . . . . A 18 THR HG22 . 34633 1 208 . 1 . 1 18 18 THR HG23 H 1 1.118 0.000 . 1 . . . . A 18 THR HG23 . 34633 1 209 . 1 . 1 18 18 THR CA C 13 66.755 0.000 . 1 . . . . A 18 THR CA . 34633 1 210 . 1 . 1 18 18 THR CB C 13 71.411 0.000 . 1 . . . . A 18 THR CB . 34633 1 211 . 1 . 1 18 18 THR CG2 C 13 20.898 0.000 . 1 . . . . A 18 THR CG2 . 34633 1 212 . 1 . 1 19 19 VAL H H 1 8.316 0.000 . 1 . . . . A 19 VAL H . 34633 1 213 . 1 . 1 19 19 VAL HA H 1 4.871 0.000 . 1 . . . . A 19 VAL HA . 34633 1 214 . 1 . 1 19 19 VAL HB H 1 1.912 0.000 . 1 . . . . A 19 VAL HB . 34633 1 215 . 1 . 1 19 19 VAL HG11 H 1 0.805 0.000 . 1 . . . . A 19 VAL HG11 . 34633 1 216 . 1 . 1 19 19 VAL HG12 H 1 0.805 0.000 . 1 . . . . A 19 VAL HG12 . 34633 1 217 . 1 . 1 19 19 VAL HG13 H 1 0.805 0.000 . 1 . . . . A 19 VAL HG13 . 34633 1 218 . 1 . 1 19 19 VAL HG21 H 1 0.868 0.000 . 1 . . . . A 19 VAL HG21 . 34633 1 219 . 1 . 1 19 19 VAL HG22 H 1 0.868 0.000 . 1 . . . . A 19 VAL HG22 . 34633 1 220 . 1 . 1 19 19 VAL HG23 H 1 0.868 0.000 . 1 . . . . A 19 VAL HG23 . 34633 1 221 . 1 . 1 19 19 VAL CB C 13 32.622 0.000 . 1 . . . . A 19 VAL CB . 34633 1 222 . 1 . 1 19 19 VAL CG1 C 13 21.721 0.000 . 1 . . . . A 19 VAL CG1 . 34633 1 223 . 1 . 1 19 19 VAL CG2 C 13 20.499 0.000 . 1 . . . . A 19 VAL CG2 . 34633 1 224 . 1 . 1 20 20 ILE H H 1 9.106 0.000 . 1 . . . . A 20 ILE H . 34633 1 225 . 1 . 1 20 20 ILE HA H 1 4.447 0.000 . 1 . . . . A 20 ILE HA . 34633 1 226 . 1 . 1 20 20 ILE HB H 1 1.746 0.000 . 1 . . . . A 20 ILE HB . 34633 1 227 . 1 . 1 20 20 ILE HG12 H 1 1.004 0.000 . 1 . . . . A 20 ILE HG12 . 34633 1 228 . 1 . 1 20 20 ILE HG13 H 1 1.344 0.000 . 1 . . . . A 20 ILE HG13 . 34633 1 229 . 1 . 1 20 20 ILE HG21 H 1 0.810 0.000 . 1 . . . . A 20 ILE HG21 . 34633 1 230 . 1 . 1 20 20 ILE HG22 H 1 0.810 0.000 . 1 . . . . A 20 ILE HG22 . 34633 1 231 . 1 . 1 20 20 ILE HG23 H 1 0.810 0.000 . 1 . . . . A 20 ILE HG23 . 34633 1 232 . 1 . 1 20 20 ILE HD11 H 1 0.739 0.000 . 1 . . . . A 20 ILE HD11 . 34633 1 233 . 1 . 1 20 20 ILE HD12 H 1 0.739 0.000 . 1 . . . . A 20 ILE HD12 . 34633 1 234 . 1 . 1 20 20 ILE HD13 H 1 0.739 0.000 . 1 . . . . A 20 ILE HD13 . 34633 1 235 . 1 . 1 20 20 ILE CA C 13 59.916 0.000 . 1 . . . . A 20 ILE CA . 34633 1 236 . 1 . 1 20 20 ILE CG1 C 13 26.909 0.000 . 1 . . . . A 20 ILE CG1 . 34633 1 237 . 1 . 1 20 20 ILE CG2 C 13 17.516 0.000 . 1 . . . . A 20 ILE CG2 . 34633 1 238 . 1 . 1 20 20 ILE CD1 C 13 13.383 0.000 . 1 . . . . A 20 ILE CD1 . 34633 1 239 . 1 . 1 21 21 ARG H H 1 8.404 0.000 . 1 . . . . A 21 ARG H . 34633 1 240 . 1 . 1 21 21 ARG HA H 1 5.090 0.000 . 1 . . . . A 21 ARG HA . 34633 1 241 . 1 . 1 21 21 ARG HB2 H 1 1.756 0.000 . 2 . . . . A 21 ARG HB2 . 34633 1 242 . 1 . 1 21 21 ARG HB3 H 1 1.542 0.000 . 2 . . . . A 21 ARG HB3 . 34633 1 243 . 1 . 1 21 21 ARG HG2 H 1 1.393 0.000 . 2 . . . . A 21 ARG HG2 . 34633 1 244 . 1 . 1 21 21 ARG HG3 H 1 1.393 0.000 . 2 . . . . A 21 ARG HG3 . 34633 1 245 . 1 . 1 21 21 ARG HD2 H 1 3.111 0.000 . 2 . . . . A 21 ARG HD2 . 34633 1 246 . 1 . 1 21 21 ARG HD3 H 1 3.111 0.000 . 2 . . . . A 21 ARG HD3 . 34633 1 247 . 1 . 1 21 21 ARG HE H 1 7.200 0.000 . 1 . . . . A 21 ARG HE . 34633 1 248 . 1 . 1 21 21 ARG CA C 13 54.829 0.000 . 1 . . . . A 21 ARG CA . 34633 1 249 . 1 . 1 21 21 ARG CB C 13 31.831 0.000 . 1 . . . . A 21 ARG CB . 34633 1 250 . 1 . 1 21 21 ARG CG C 13 28.245 0.000 . 1 . . . . A 21 ARG CG . 34633 1 251 . 1 . 1 21 21 ARG CD C 13 43.597 0.000 . 1 . . . . A 21 ARG CD . 34633 1 252 . 1 . 1 22 22 VAL H H 1 9.055 0.000 . 1 . . . . A 22 VAL H . 34633 1 253 . 1 . 1 22 22 VAL HA H 1 4.393 0.000 . 1 . . . . A 22 VAL HA . 34633 1 254 . 1 . 1 22 22 VAL HB H 1 1.939 0.000 . 1 . . . . A 22 VAL HB . 34633 1 255 . 1 . 1 22 22 VAL HG11 H 1 0.899 0.000 . 2 . . . . A 22 VAL HG11 . 34633 1 256 . 1 . 1 22 22 VAL HG12 H 1 0.899 0.000 . 2 . . . . A 22 VAL HG12 . 34633 1 257 . 1 . 1 22 22 VAL HG13 H 1 0.899 0.000 . 2 . . . . A 22 VAL HG13 . 34633 1 258 . 1 . 1 22 22 VAL HG21 H 1 0.879 0.000 . 2 . . . . A 22 VAL HG21 . 34633 1 259 . 1 . 1 22 22 VAL HG22 H 1 0.879 0.000 . 2 . . . . A 22 VAL HG22 . 34633 1 260 . 1 . 1 22 22 VAL HG23 H 1 0.879 0.000 . 2 . . . . A 22 VAL HG23 . 34633 1 261 . 1 . 1 22 22 VAL CA C 13 61.322 0.000 . 1 . . . . A 22 VAL CA . 34633 1 262 . 1 . 1 22 22 VAL CB C 13 34.183 0.000 . 1 . . . . A 22 VAL CB . 34633 1 263 . 1 . 1 22 22 VAL CG1 C 13 20.968 0.000 . 1 . . . . A 22 VAL CG1 . 34633 1 264 . 1 . 1 22 22 VAL CG2 C 13 20.511 0.000 . 1 . . . . A 22 VAL CG2 . 34633 1 265 . 1 . 1 23 23 CYS H H 1 8.954 0.000 . 1 . . . . A 23 CYS H . 34633 1 266 . 1 . 1 23 23 CYS HA H 1 5.472 0.000 . 1 . . . . A 23 CYS HA . 34633 1 267 . 1 . 1 23 23 CYS HB2 H 1 3.052 0.000 . 2 . . . . A 23 CYS HB2 . 34633 1 268 . 1 . 1 23 23 CYS HB3 H 1 2.871 0.000 . 2 . . . . A 23 CYS HB3 . 34633 1 269 . 1 . 1 23 23 CYS CA C 13 55.222 0.000 . 1 . . . . A 23 CYS CA . 34633 1 270 . 1 . 1 23 23 CYS CB C 13 47.008 0.000 . 1 . . . . A 23 CYS CB . 34633 1 271 . 1 . 1 24 24 SER H H 1 8.286 0.000 . 1 . . . . A 24 SER H . 34633 1 272 . 1 . 1 24 24 SER HA H 1 4.301 0.000 . 1 . . . . A 24 SER HA . 34633 1 273 . 1 . 1 24 24 SER HB2 H 1 3.890 0.000 . 2 . . . . A 24 SER HB2 . 34633 1 274 . 1 . 1 24 24 SER HB3 H 1 3.854 0.000 . 2 . . . . A 24 SER HB3 . 34633 1 275 . 1 . 1 24 24 SER CA C 13 59.831 0.000 . 1 . . . . A 24 SER CA . 34633 1 276 . 1 . 1 24 24 SER CB C 13 65.145 0.000 . 1 . . . . A 24 SER CB . 34633 1 stop_ save_