################################### # 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 16857 _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 3 '2D 1H-1H NOESY' . . . 16857 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CYANA . . 16857 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 ARG HA H 1 4.090 0.000 . 1 . . . . 1 R HA . 16857 1 2 . 1 1 1 1 ARG HB2 H 1 1.920 0.000 . 2 . . . . 1 R QB . 16857 1 3 . 1 1 1 1 ARG HB3 H 1 1.920 0.000 . 2 . . . . 1 R QB . 16857 1 4 . 1 1 1 1 ARG HD2 H 1 3.240 0.000 . 2 . . . . 1 R QD . 16857 1 5 . 1 1 1 1 ARG HD3 H 1 3.240 0.000 . 2 . . . . 1 R QD . 16857 1 6 . 1 1 1 1 ARG HG2 H 1 1.670 0.000 . 2 . . . . 1 R HG2 . 16857 1 7 . 1 1 1 1 ARG HG3 H 1 1.740 0.000 . 2 . . . . 1 R HG3 . 16857 1 8 . 1 1 2 2 CYS H H 1 8.370 0.000 . 1 . . . . 2 C H . 16857 1 9 . 1 1 2 2 CYS HA H 1 4.650 0.000 . 1 . . . . 2 C HA . 16857 1 10 . 1 1 2 2 CYS HB2 H 1 2.670 0.000 . 2 . . . . 2 C HB2 . 16857 1 11 . 1 1 2 2 CYS HB3 H 1 2.720 0.000 . 2 . . . . 2 C HB3 . 16857 1 12 . 1 1 3 3 GLN H H 1 7.820 0.000 . 1 . . . . 3 Q H . 16857 1 13 . 1 1 3 3 GLN HA H 1 4.160 0.000 . 1 . . . . 3 Q HA . 16857 1 14 . 1 1 3 3 GLN HB2 H 1 1.350 0.000 . 2 . . . . 3 Q QB . 16857 1 15 . 1 1 3 3 GLN HB3 H 1 1.350 0.000 . 2 . . . . 3 Q QB . 16857 1 16 . 1 1 3 3 GLN HG2 H 1 1.680 0.000 . 2 . . . . 3 Q HG2 . 16857 1 17 . 1 1 3 3 GLN HG3 H 1 1.810 0.000 . 2 . . . . 3 Q HG3 . 16857 1 18 . 1 1 4 4 TYR H H 1 8.600 0.000 . 1 . . . . 4 Y H . 16857 1 19 . 1 1 4 4 TYR HA H 1 4.630 0.000 . 1 . . . . 4 Y HA . 16857 1 20 . 1 1 4 4 TYR HB2 H 1 3.020 0.000 . 2 . . . . 4 Y HB2 . 16857 1 21 . 1 1 4 4 TYR HB3 H 1 3.320 0.000 . 2 . . . . 4 Y HB3 . 16857 1 22 . 1 1 4 4 TYR HD1 H 1 7.380 0.000 . 3 . . . . 4 Y QD . 16857 1 23 . 1 1 4 4 TYR HD2 H 1 7.380 0.000 . 3 . . . . 4 Y QD . 16857 1 24 . 1 1 4 4 TYR HE1 H 1 6.870 0.000 . 3 . . . . 4 Y QE . 16857 1 25 . 1 1 4 4 TYR HE2 H 1 6.870 0.000 . 3 . . . . 4 Y QE . 16857 1 26 . 1 1 5 5 GLY H H 1 8.600 0.000 . 1 . . . . 5 G H . 16857 1 27 . 1 1 5 5 GLY HA2 H 1 2.310 0.000 . 2 . . . . 5 G HA2 . 16857 1 28 . 1 1 5 5 GLY HA3 H 1 3.620 0.000 . 2 . . . . 5 G HA3 . 16857 1 29 . 1 1 6 6 TRP H H 1 7.880 0.000 . 1 . . . . 6 W H . 16857 1 30 . 1 1 6 6 TRP HA H 1 4.930 0.000 . 1 . . . . 6 W HA . 16857 1 31 . 1 1 6 6 TRP HB2 H 1 2.980 0.000 . 2 . . . . 6 W QB . 16857 1 32 . 1 1 6 6 TRP HB3 H 1 2.980 0.000 . 2 . . . . 6 W QB . 16857 1 33 . 1 1 6 6 TRP HD1 H 1 6.740 0.000 . 1 . . . . 6 W HD1 . 16857 1 34 . 1 1 6 6 TRP HE1 H 1 10.120 0.000 . 1 . . . . 6 W HE1 . 16857 1 35 . 1 1 6 6 TRP HE3 H 1 7.090 0.000 . 1 . . . . 6 W HE3 . 16857 1 36 . 1 1 6 6 TRP HH2 H 1 7.210 0.000 . 1 . . . . 6 W HH2 . 16857 1 37 . 1 1 6 6 TRP HZ2 H 1 7.460 0.000 . 1 . . . . 6 W HZ2 . 16857 1 38 . 1 1 6 6 TRP HZ3 H 1 6.860 0.000 . 1 . . . . 6 W HZ3 . 16857 1 39 . 1 1 7 7 GLN H H 1 9.610 0.000 . 1 . . . . 7 Q H . 16857 1 40 . 1 1 7 7 GLN HA H 1 5.000 0.000 . 1 . . . . 7 Q HA . 16857 1 41 . 1 1 7 7 GLN HB2 H 1 1.750 0.000 . 2 . . . . 7 Q QB . 16857 1 42 . 1 1 7 7 GLN HB3 H 1 1.750 0.000 . 2 . . . . 7 Q QB . 16857 1 43 . 1 1 7 7 GLN HE21 H 1 7.130 0.000 . 2 . . . . 7 Q HE21 . 16857 1 44 . 1 1 7 7 GLN HE22 H 1 6.780 0.000 . 2 . . . . 7 Q HE22 . 16857 1 45 . 1 1 7 7 GLN HG2 H 1 2.130 0.000 . 2 . . . . 7 Q HG2 . 16857 1 46 . 1 1 7 7 GLN HG3 H 1 2.220 0.000 . 2 . . . . 7 Q HG3 . 16857 1 47 . 1 1 8 8 GLY H H 1 8.150 0.000 . 1 . . . . 8 G H . 16857 1 48 . 1 1 8 8 GLY HA2 H 1 3.770 0.000 . 2 . . . . 8 G HA2 . 16857 1 49 . 1 1 8 8 GLY HA3 H 1 4.850 0.000 . 2 . . . . 8 G HA3 . 16857 1 50 . 1 1 9 9 LEU H H 1 8.460 0.000 . 1 . . . . 9 L H . 16857 1 51 . 1 1 9 9 LEU HA H 1 3.860 0.000 . 1 . . . . 9 L HA . 16857 1 52 . 1 1 9 9 LEU HB2 H 1 1.090 0.000 . 2 . . . . 9 L HB2 . 16857 1 53 . 1 1 9 9 LEU HB3 H 1 1.330 0.000 . 2 . . . . 9 L HB3 . 16857 1 54 . 1 1 9 9 LEU HD11 H 1 0.700 0.000 . . . . . . 9 L QD1 . 16857 1 55 . 1 1 9 9 LEU HD12 H 1 0.700 0.000 . . . . . . 9 L QD1 . 16857 1 56 . 1 1 9 9 LEU HD13 H 1 0.700 0.000 . . . . . . 9 L QD1 . 16857 1 57 . 1 1 9 9 LEU HD21 H 1 0.770 0.000 . . . . . . 9 L QD2 . 16857 1 58 . 1 1 9 9 LEU HD22 H 1 0.770 0.000 . . . . . . 9 L QD2 . 16857 1 59 . 1 1 9 9 LEU HD23 H 1 0.770 0.000 . . . . . . 9 L QD2 . 16857 1 60 . 1 1 9 9 LEU HG H 1 0.980 0.000 . 1 . . . . 9 L HG . 16857 1 61 . 1 1 10 10 TYR H H 1 8.720 0.000 . 1 . . . . 10 Y H . 16857 1 62 . 1 1 10 10 TYR HA H 1 4.770 0.000 . 1 . . . . 10 Y HA . 16857 1 63 . 1 1 10 10 TYR HB2 H 1 2.560 0.000 . 2 . . . . 10 Y HB2 . 16857 1 64 . 1 1 10 10 TYR HB3 H 1 3.340 0.000 . 2 . . . . 10 Y HB3 . 16857 1 65 . 1 1 10 10 TYR HD1 H 1 7.130 0.000 . 3 . . . . 10 Y QD . 16857 1 66 . 1 1 10 10 TYR HD2 H 1 7.130 0.000 . 3 . . . . 10 Y QD . 16857 1 67 . 1 1 10 10 TYR HE1 H 1 6.780 0.000 . 3 . . . . 10 Y QE . 16857 1 68 . 1 1 10 10 TYR HE2 H 1 6.780 0.000 . 3 . . . . 10 Y QE . 16857 1 69 . 1 1 11 11 CYS H H 1 7.970 0.000 . 1 . . . . 11 C H . 16857 1 70 . 1 1 11 11 CYS HA H 1 4.140 0.000 . 1 . . . . 11 C HA . 16857 1 71 . 1 1 11 11 CYS HB2 H 1 2.870 0.000 . 2 . . . . 11 C HB2 . 16857 1 72 . 1 1 11 11 CYS HB3 H 1 3.280 0.000 . 2 . . . . 11 C HB3 . 16857 1 73 . 1 1 12 12 ASP H H 1 8.460 0.000 . 1 . . . . 12 D H . 16857 1 74 . 1 1 12 12 ASP HA H 1 4.530 0.000 . 1 . . . . 12 D HA . 16857 1 75 . 1 1 12 12 ASP HB2 H 1 2.300 0.000 . 2 . . . . 12 D HB2 . 16857 1 76 . 1 1 12 12 ASP HB3 H 1 2.940 0.000 . 2 . . . . 12 D HB3 . 16857 1 77 . 1 1 13 13 LYS H H 1 8.620 0.000 . 1 . . . . 13 K H . 16857 1 78 . 1 1 13 13 LYS HA H 1 5.080 0.000 . 1 . . . . 13 K HA . 16857 1 79 . 1 1 13 13 LYS HB2 H 1 1.750 0.000 . 2 . . . . 13 K QB . 16857 1 80 . 1 1 13 13 LYS HB3 H 1 1.750 0.000 . 2 . . . . 13 K QB . 16857 1 81 . 1 1 13 13 LYS HD2 H 1 1.710 0.000 . 2 . . . . 13 K QD . 16857 1 82 . 1 1 13 13 LYS HD3 H 1 1.710 0.000 . 2 . . . . 13 K QD . 16857 1 83 . 1 1 13 13 LYS HE2 H 1 3.100 0.000 . 2 . . . . 13 K QE . 16857 1 84 . 1 1 13 13 LYS HE3 H 1 3.100 0.000 . 2 . . . . 13 K QE . 16857 1 85 . 1 1 13 13 LYS HG2 H 1 1.580 0.000 . 2 . . . . 13 K QG . 16857 1 86 . 1 1 13 13 LYS HG3 H 1 1.580 0.000 . 2 . . . . 13 K QG . 16857 1 87 . 1 1 14 14 CYS H H 1 8.440 0.000 . 1 . . . . 14 C H . 16857 1 88 . 1 1 14 14 CYS HA H 1 3.510 0.000 . 1 . . . . 14 C HA . 16857 1 89 . 1 1 14 14 CYS HB2 H 1 1.940 0.000 . 2 . . . . 14 C HB2 . 16857 1 90 . 1 1 14 14 CYS HB3 H 1 1.780 0.000 . 2 . . . . 14 C HB3 . 16857 1 91 . 1 1 15 15 ILE H H 1 7.210 0.000 . 1 . . . . 15 I H . 16857 1 92 . 1 1 15 15 ILE HA H 1 4.040 0.000 . 1 . . . . 15 I HA . 16857 1 93 . 1 1 15 15 ILE HB H 1 0.430 0.000 . 1 . . . . 15 I HB . 16857 1 94 . 1 1 15 15 ILE HD11 H 1 0.480 0.000 . . . . . . 15 I QD1 . 16857 1 95 . 1 1 15 15 ILE HD12 H 1 0.480 0.000 . . . . . . 15 I QD1 . 16857 1 96 . 1 1 15 15 ILE HD13 H 1 0.480 0.000 . . . . . . 15 I QD1 . 16857 1 97 . 1 1 15 15 ILE HG12 H 1 0.860 0.000 . . . . . . 15 I QG1 . 16857 1 98 . 1 1 15 15 ILE HG13 H 1 0.860 0.000 . . . . . . 15 I QG1 . 16857 1 99 . 1 1 15 15 ILE HG21 H 1 1.350 0.000 . . . . . . 15 I QG2 . 16857 1 100 . 1 1 15 15 ILE HG22 H 1 1.350 0.000 . . . . . . 15 I QG2 . 16857 1 101 . 1 1 15 15 ILE HG23 H 1 1.350 0.000 . . . . . . 15 I QG2 . 16857 1 102 . 1 1 16 16 PRO HA H 1 4.390 0.000 . 1 . . . . 16 P HA . 16857 1 103 . 1 1 16 16 PRO HB2 H 1 1.980 0.000 . 2 . . . . 16 P QB . 16857 1 104 . 1 1 16 16 PRO HB3 H 1 1.980 0.000 . 2 . . . . 16 P QB . 16857 1 105 . 1 1 16 16 PRO HD2 H 1 3.550 0.000 . 2 . . . . 16 P HD2 . 16857 1 106 . 1 1 16 16 PRO HD3 H 1 3.700 0.000 . 2 . . . . 16 P HD3 . 16857 1 107 . 1 1 16 16 PRO HG2 H 1 1.760 0.000 . 2 . . . . 16 P HG2 . 16857 1 108 . 1 1 16 16 PRO HG3 H 1 1.890 0.000 . 2 . . . . 16 P HG3 . 16857 1 109 . 1 1 17 17 HIS H H 1 8.990 0.000 . 1 . . . . 17 H H . 16857 1 110 . 1 1 17 17 HIS HA H 1 4.990 0.000 . 1 . . . . 17 H HA . 16857 1 111 . 1 1 17 17 HIS HB2 H 1 2.720 0.000 . 2 . . . . 17 H HB2 . 16857 1 112 . 1 1 17 17 HIS HB3 H 1 3.240 0.000 . 2 . . . . 17 H HB3 . 16857 1 113 . 1 1 17 17 HIS HD2 H 1 7.470 0.000 . 1 . . . . 17 H HD2 . 16857 1 114 . 1 1 17 17 HIS HE1 H 1 8.440 0.000 . 1 . . . . 17 H HE1 . 16857 1 115 . 1 1 18 18 PRO HA H 1 4.410 0.000 . 1 . . . . 18 P HA . 16857 1 116 . 1 1 18 18 PRO HB2 H 1 2.250 0.000 . 2 . . . . 18 P QB . 16857 1 117 . 1 1 18 18 PRO HB3 H 1 2.250 0.000 . 2 . . . . 18 P QB . 16857 1 118 . 1 1 18 18 PRO HD2 H 1 3.600 0.000 . 2 . . . . 18 P QD . 16857 1 119 . 1 1 18 18 PRO HD3 H 1 3.600 0.000 . 2 . . . . 18 P QD . 16857 1 120 . 1 1 18 18 PRO HG2 H 1 1.810 0.000 . 2 . . . . 18 P HG2 . 16857 1 121 . 1 1 18 18 PRO HG3 H 1 1.890 0.000 . 2 . . . . 18 P HG3 . 16857 1 122 . 1 1 19 19 GLY H H 1 9.170 0.000 . 1 . . . . 19 G H . 16857 1 123 . 1 1 19 19 GLY HA2 H 1 3.610 0.000 . 2 . . . . 19 G HA2 . 16857 1 124 . 1 1 19 19 GLY HA3 H 1 4.180 0.000 . 2 . . . . 19 G HA3 . 16857 1 125 . 1 1 20 20 CYS H H 1 8.010 0.000 . 1 . . . . 20 C H . 16857 1 126 . 1 1 20 20 CYS HA H 1 4.120 0.000 . 1 . . . . 20 C HA . 16857 1 127 . 1 1 20 20 CYS HB2 H 1 2.780 0.000 . 2 . . . . 20 C HB2 . 16857 1 128 . 1 1 20 20 CYS HB3 H 1 3.260 0.000 . 2 . . . . 20 C HB3 . 16857 1 129 . 1 1 21 21 VAL H H 1 8.770 0.000 . 1 . . . . 21 V H . 16857 1 130 . 1 1 21 21 VAL HA H 1 3.960 0.000 . 1 . . . . 21 V HA . 16857 1 131 . 1 1 21 21 VAL HB H 1 1.550 0.000 . 1 . . . . 21 V HB . 16857 1 132 . 1 1 21 21 VAL HG11 H 1 0.100 0.000 . . . . . . 21 V QG1 . 16857 1 133 . 1 1 21 21 VAL HG12 H 1 0.100 0.000 . . . . . . 21 V QG1 . 16857 1 134 . 1 1 21 21 VAL HG13 H 1 0.100 0.000 . . . . . . 21 V QG1 . 16857 1 135 . 1 1 21 21 VAL HG21 H 1 0.930 0.000 . . . . . . 21 V QG2 . 16857 1 136 . 1 1 21 21 VAL HG22 H 1 0.930 0.000 . . . . . . 21 V QG2 . 16857 1 137 . 1 1 21 21 VAL HG23 H 1 0.930 0.000 . . . . . . 21 V QG2 . 16857 1 138 . 1 1 22 22 HIS H H 1 7.670 0.000 . 1 . . . . 22 H H . 16857 1 139 . 1 1 22 22 HIS HA H 1 4.580 0.000 . 1 . . . . 22 H HA . 16857 1 140 . 1 1 22 22 HIS HB2 H 1 2.680 0.000 . 2 . . . . 22 H HB2 . 16857 1 141 . 1 1 22 22 HIS HB3 H 1 2.440 0.000 . 2 . . . . 22 H HB3 . 16857 1 142 . 1 1 22 22 HIS HD2 H 1 5.390 0.000 . 1 . . . . 22 H HD2 . 16857 1 143 . 1 1 22 22 HIS HE1 H 1 8.250 0.000 . 1 . . . . 22 H HE1 . 16857 1 144 . 1 1 23 23 GLY H H 1 7.210 0.000 . 1 . . . . 23 G H . 16857 1 145 . 1 1 23 23 GLY HA2 H 1 3.460 0.000 . 2 . . . . 23 G HA2 . 16857 1 146 . 1 1 23 23 GLY HA3 H 1 4.960 0.000 . 2 . . . . 23 G HA3 . 16857 1 147 . 1 1 24 24 ILE H H 1 8.270 0.000 . 1 . . . . 24 I H . 16857 1 148 . 1 1 24 24 ILE HA H 1 4.750 0.000 . 1 . . . . 24 I HA . 16857 1 149 . 1 1 24 24 ILE HB H 1 2.100 0.000 . 1 . . . . 24 I HB . 16857 1 150 . 1 1 24 24 ILE HD11 H 1 0.790 0.000 . . . . . . 24 I QD1 . 16857 1 151 . 1 1 24 24 ILE HD12 H 1 0.790 0.000 . . . . . . 24 I QD1 . 16857 1 152 . 1 1 24 24 ILE HD13 H 1 0.790 0.000 . . . . . . 24 I QD1 . 16857 1 153 . 1 1 24 24 ILE HG12 H 1 1.120 0.000 . . . . . . 24 I QG1 . 16857 1 154 . 1 1 24 24 ILE HG13 H 1 1.120 0.000 . . . . . . 24 I QG1 . 16857 1 155 . 1 1 24 24 ILE HG21 H 1 0.880 0.000 . . . . . . 24 I QG2 . 16857 1 156 . 1 1 24 24 ILE HG22 H 1 0.880 0.000 . . . . . . 24 I QG2 . 16857 1 157 . 1 1 24 24 ILE HG23 H 1 0.880 0.000 . . . . . . 24 I QG2 . 16857 1 158 . 1 1 25 25 CYS H H 1 8.530 0.000 . 1 . . . . 25 C H . 16857 1 159 . 1 1 25 25 CYS HA H 1 4.930 0.000 . 1 . . . . 25 C HA . 16857 1 160 . 1 1 25 25 CYS HB2 H 1 4.130 0.000 . 2 . . . . 25 C HB2 . 16857 1 161 . 1 1 25 25 CYS HB3 H 1 2.570 0.000 . 2 . . . . 25 C HB3 . 16857 1 162 . 1 1 26 26 ASN H H 1 8.590 0.000 . 1 . . . . 26 N H . 16857 1 163 . 1 1 26 26 ASN HA H 1 4.860 0.000 . 1 . . . . 26 N HA . 16857 1 164 . 1 1 26 26 ASN HB2 H 1 2.910 0.000 . 2 . . . . 26 N QB . 16857 1 165 . 1 1 26 26 ASN HB3 H 1 2.910 0.000 . 2 . . . . 26 N QB . 16857 1 166 . 1 1 26 26 ASN HD21 H 1 7.740 0.000 . 2 . . . . 26 N HD21 . 16857 1 167 . 1 1 26 26 ASN HD22 H 1 6.940 0.000 . 2 . . . . 26 N HD22 . 16857 1 168 . 1 1 27 27 GLU H H 1 7.980 0.000 . 1 . . . . 27 E H . 16857 1 169 . 1 1 27 27 GLU HA H 1 4.460 0.000 . 1 . . . . 27 E HA . 16857 1 170 . 1 1 27 27 GLU HB2 H 1 2.180 0.000 . 2 . . . . 27 E QB . 16857 1 171 . 1 1 27 27 GLU HB3 H 1 2.180 0.000 . 2 . . . . 27 E QB . 16857 1 172 . 1 1 27 27 GLU HG2 H 1 1.490 0.000 . 2 . . . . 27 E HG2 . 16857 1 173 . 1 1 27 27 GLU HG3 H 1 2.320 0.000 . 2 . . . . 27 E HG3 . 16857 1 174 . 1 1 28 28 PRO HA H 1 3.170 0.000 . 1 . . . . 28 P HA . 16857 1 175 . 1 1 28 28 PRO HB2 H 1 1.080 0.000 . 2 . . . . 28 P HB2 . 16857 1 176 . 1 1 28 28 PRO HB3 H 1 0.790 0.000 . 2 . . . . 28 P HB3 . 16857 1 177 . 1 1 28 28 PRO HD2 H 1 3.380 0.000 . 2 . . . . 28 P HD2 . 16857 1 178 . 1 1 28 28 PRO HD3 H 1 2.940 0.000 . 2 . . . . 28 P HD3 . 16857 1 179 . 1 1 28 28 PRO HG2 H 1 1.350 0.000 . 2 . . . . 28 P QG . 16857 1 180 . 1 1 28 28 PRO HG3 H 1 1.350 0.000 . 2 . . . . 28 P QG . 16857 1 181 . 1 1 29 29 TRP H H 1 9.040 0.000 . 1 . . . . 29 W H . 16857 1 182 . 1 1 29 29 TRP HA H 1 4.220 0.000 . 1 . . . . 29 W HA . 16857 1 183 . 1 1 29 29 TRP HB2 H 1 3.400 0.000 . 2 . . . . 29 W HB2 . 16857 1 184 . 1 1 29 29 TRP HB3 H 1 3.520 0.000 . 2 . . . . 29 W HB3 . 16857 1 185 . 1 1 29 29 TRP HD1 H 1 6.940 0.000 . 1 . . . . 29 W HD1 . 16857 1 186 . 1 1 29 29 TRP HE1 H 1 9.360 0.000 . 1 . . . . 29 W HE1 . 16857 1 187 . 1 1 29 29 TRP HE3 H 1 7.120 0.000 . 1 . . . . 29 W HE3 . 16857 1 188 . 1 1 29 29 TRP HH2 H 1 6.790 0.000 . 1 . . . . 29 W HH2 . 16857 1 189 . 1 1 29 29 TRP HZ2 H 1 5.870 0.000 . 1 . . . . 29 W HZ2 . 16857 1 190 . 1 1 29 29 TRP HZ3 H 1 6.840 0.000 . 1 . . . . 29 W HZ3 . 16857 1 191 . 1 1 30 30 GLN H H 1 7.160 0.000 . 1 . . . . 30 Q H . 16857 1 192 . 1 1 30 30 GLN HA H 1 4.470 0.000 . 1 . . . . 30 Q HA . 16857 1 193 . 1 1 30 30 GLN HB2 H 1 2.090 0.000 . 2 . . . . 30 Q HB2 . 16857 1 194 . 1 1 30 30 GLN HB3 H 1 2.210 0.000 . 2 . . . . 30 Q HB3 . 16857 1 195 . 1 1 30 30 GLN HE21 H 1 7.420 0.000 . . . . . . 30 Q QE2 . 16857 1 196 . 1 1 30 30 GLN HE22 H 1 7.420 0.000 . . . . . . 30 Q QE2 . 16857 1 197 . 1 1 30 30 GLN HG2 H 1 2.420 0.000 . 2 . . . . 30 Q HG2 . 16857 1 198 . 1 1 30 30 GLN HG3 H 1 2.480 0.000 . 2 . . . . 30 Q HG3 . 16857 1 199 . 1 1 31 31 CYS H H 1 9.100 0.000 . 1 . . . . 31 C H . 16857 1 200 . 1 1 31 31 CYS HA H 1 4.530 0.000 . 1 . . . . 31 C HA . 16857 1 201 . 1 1 31 31 CYS HB2 H 1 2.530 0.000 . 2 . . . . 31 C HB2 . 16857 1 202 . 1 1 31 31 CYS HB3 H 1 3.230 0.000 . 2 . . . . 31 C HB3 . 16857 1 203 . 1 1 32 32 LEU H H 1 9.660 0.000 . 1 . . . . 32 L H . 16857 1 204 . 1 1 32 32 LEU HA H 1 4.680 0.000 . 1 . . . . 32 L HA . 16857 1 205 . 1 1 32 32 LEU HB2 H 1 1.750 0.000 . 2 . . . . 32 L HB2 . 16857 1 206 . 1 1 32 32 LEU HB3 H 1 1.400 0.000 . 2 . . . . 32 L HB3 . 16857 1 207 . 1 1 32 32 LEU HD11 H 1 0.820 0.000 . . . . . . 32 L QD1 . 16857 1 208 . 1 1 32 32 LEU HD12 H 1 0.820 0.000 . . . . . . 32 L QD1 . 16857 1 209 . 1 1 32 32 LEU HD13 H 1 0.820 0.000 . . . . . . 32 L QD1 . 16857 1 210 . 1 1 32 32 LEU HD21 H 1 0.850 0.000 . . . . . . 32 L QD2 . 16857 1 211 . 1 1 32 32 LEU HD22 H 1 0.850 0.000 . . . . . . 32 L QD2 . 16857 1 212 . 1 1 32 32 LEU HD23 H 1 0.850 0.000 . . . . . . 32 L QD2 . 16857 1 213 . 1 1 32 32 LEU HG H 1 1.630 0.000 . 1 . . . . 32 L HG . 16857 1 214 . 1 1 33 33 CYS H H 1 8.640 0.000 . 1 . . . . 33 C H . 16857 1 215 . 1 1 33 33 CYS HA H 1 4.970 0.000 . 1 . . . . 33 C HA . 16857 1 216 . 1 1 33 33 CYS HB2 H 1 2.740 0.000 . 2 . . . . 33 C HB2 . 16857 1 217 . 1 1 33 33 CYS HB3 H 1 3.450 0.000 . 2 . . . . 33 C HB3 . 16857 1 218 . 1 1 34 34 GLU H H 1 8.610 0.000 . 1 . . . . 34 E H . 16857 1 219 . 1 1 34 34 GLU HA H 1 4.430 0.000 . 1 . . . . 34 E HA . 16857 1 220 . 1 1 34 34 GLU HB2 H 1 2.030 0.000 . 2 . . . . 34 E HB2 . 16857 1 221 . 1 1 34 34 GLU HB3 H 1 2.280 0.000 . 2 . . . . 34 E HB3 . 16857 1 222 . 1 1 34 34 GLU HG2 H 1 2.370 0.000 . 2 . . . . 34 E HG2 . 16857 1 223 . 1 1 34 34 GLU HG3 H 1 2.460 0.000 . 2 . . . . 34 E HG3 . 16857 1 224 . 1 1 35 35 THR H H 1 8.340 0.000 . 1 . . . . 35 T H . 16857 1 225 . 1 1 35 35 THR HA H 1 3.850 0.000 . 1 . . . . 35 T HA . 16857 1 226 . 1 1 35 35 THR HB H 1 3.990 0.000 . 1 . . . . 35 T HB . 16857 1 227 . 1 1 35 35 THR HG21 H 1 1.260 0.000 . . . . . . 35 T QG2 . 16857 1 228 . 1 1 35 35 THR HG22 H 1 1.260 0.000 . . . . . . 35 T QG2 . 16857 1 229 . 1 1 35 35 THR HG23 H 1 1.260 0.000 . . . . . . 35 T QG2 . 16857 1 230 . 1 1 36 36 ASN H H 1 8.690 0.000 . 1 . . . . 36 N H . 16857 1 231 . 1 1 36 36 ASN HA H 1 4.260 0.000 . 1 . . . . 36 N HA . 16857 1 232 . 1 1 36 36 ASN HB2 H 1 2.600 0.000 . 2 . . . . 36 N HB2 . 16857 1 233 . 1 1 36 36 ASN HB3 H 1 2.830 0.000 . 2 . . . . 36 N HB3 . 16857 1 234 . 1 1 36 36 ASN HD21 H 1 7.340 0.000 . 2 . . . . 36 N HD21 . 16857 1 235 . 1 1 36 36 ASN HD22 H 1 6.740 0.000 . 2 . . . . 36 N HD22 . 16857 1 236 . 1 1 37 37 TRP H H 1 8.060 0.000 . 1 . . . . 37 W H . 16857 1 237 . 1 1 37 37 TRP HA H 1 4.840 0.000 . 1 . . . . 37 W HA . 16857 1 238 . 1 1 37 37 TRP HB2 H 1 3.180 0.000 . 2 . . . . 37 W HB2 . 16857 1 239 . 1 1 37 37 TRP HB3 H 1 3.080 0.000 . 2 . . . . 37 W HB3 . 16857 1 240 . 1 1 37 37 TRP HD1 H 1 6.920 0.000 . 1 . . . . 37 W HD1 . 16857 1 241 . 1 1 37 37 TRP HE1 H 1 9.640 0.000 . 1 . . . . 37 W HE1 . 16857 1 242 . 1 1 37 37 TRP HE3 H 1 7.630 0.000 . 1 . . . . 37 W HE3 . 16857 1 243 . 1 1 37 37 TRP HH2 H 1 7.090 0.000 . 1 . . . . 37 W HH2 . 16857 1 244 . 1 1 37 37 TRP HZ2 H 1 7.000 0.000 . 1 . . . . 37 W HZ2 . 16857 1 245 . 1 1 37 37 TRP HZ3 H 1 6.920 0.000 . 1 . . . . 37 W HZ3 . 16857 1 246 . 1 1 38 38 GLY H H 1 9.270 0.000 . 1 . . . . 38 G H . 16857 1 247 . 1 1 38 38 GLY HA2 H 1 3.890 0.000 . 2 . . . . 38 G HA2 . 16857 1 248 . 1 1 38 38 GLY HA3 H 1 4.890 0.000 . 2 . . . . 38 G HA3 . 16857 1 249 . 1 1 39 39 GLY H H 1 8.060 0.000 . 1 . . . . 39 G H . 16857 1 250 . 1 1 39 39 GLY HA2 H 1 3.840 0.000 . 2 . . . . 39 G HA2 . 16857 1 251 . 1 1 39 39 GLY HA3 H 1 4.770 0.000 . 2 . . . . 39 G HA3 . 16857 1 252 . 1 1 40 40 GLN H H 1 8.670 0.000 . 1 . . . . 40 Q H . 16857 1 253 . 1 1 40 40 GLN HA H 1 3.990 0.000 . 1 . . . . 40 Q HA . 16857 1 254 . 1 1 40 40 GLN HB2 H 1 1.940 0.000 . 2 . . . . 40 Q HB2 . 16857 1 255 . 1 1 40 40 GLN HB3 H 1 2.010 0.000 . 2 . . . . 40 Q HB3 . 16857 1 256 . 1 1 40 40 GLN HE21 H 1 7.550 0.000 . 2 . . . . 40 Q HE21 . 16857 1 257 . 1 1 40 40 GLN HE22 H 1 6.870 0.000 . 2 . . . . 40 Q HE22 . 16857 1 258 . 1 1 40 40 GLN HG2 H 1 2.230 0.000 . 2 . . . . 40 Q HG2 . 16857 1 259 . 1 1 40 40 GLN HG3 H 1 2.380 0.000 . 2 . . . . 40 Q HG3 . 16857 1 260 . 1 1 41 41 LEU H H 1 8.770 0.000 . 1 . . . . 41 L H . 16857 1 261 . 1 1 41 41 LEU HA H 1 4.690 0.000 . 1 . . . . 41 L HA . 16857 1 262 . 1 1 41 41 LEU HB2 H 1 1.430 0.000 . 2 . . . . 41 L HB2 . 16857 1 263 . 1 1 41 41 LEU HB3 H 1 1.890 0.000 . 2 . . . . 41 L HB3 . 16857 1 264 . 1 1 41 41 LEU HD11 H 1 0.820 0.000 . . . . . . 41 L QD1 . 16857 1 265 . 1 1 41 41 LEU HD12 H 1 0.820 0.000 . . . . . . 41 L QD1 . 16857 1 266 . 1 1 41 41 LEU HD13 H 1 0.820 0.000 . . . . . . 41 L QD1 . 16857 1 267 . 1 1 41 41 LEU HD21 H 1 0.450 0.000 . . . . . . 41 L QD2 . 16857 1 268 . 1 1 41 41 LEU HD22 H 1 0.450 0.000 . . . . . . 41 L QD2 . 16857 1 269 . 1 1 41 41 LEU HD23 H 1 0.450 0.000 . . . . . . 41 L QD2 . 16857 1 270 . 1 1 41 41 LEU HG H 1 1.350 0.000 . 1 . . . . 41 L HG . 16857 1 271 . 1 1 42 42 CYS H H 1 7.870 0.000 . 1 . . . . 42 C H . 16857 1 272 . 1 1 42 42 CYS HA H 1 4.400 0.000 . 1 . . . . 42 C HA . 16857 1 273 . 1 1 42 42 CYS HB2 H 1 2.450 0.000 . 2 . . . . 42 C HB2 . 16857 1 274 . 1 1 42 42 CYS HB3 H 1 2.790 0.000 . 2 . . . . 42 C HB3 . 16857 1 275 . 1 1 43 43 ASP H H 1 8.740 0.000 . 1 . . . . 43 D H . 16857 1 276 . 1 1 43 43 ASP HA H 1 4.700 0.000 . 1 . . . . 43 D HA . 16857 1 277 . 1 1 43 43 ASP HB2 H 1 2.220 0.000 . 2 . . . . 43 D HB2 . 16857 1 278 . 1 1 43 43 ASP HB3 H 1 2.980 0.000 . 2 . . . . 43 D HB3 . 16857 1 279 . 1 1 44 44 LYS H H 1 8.730 0.000 . 1 . . . . 44 K H . 16857 1 280 . 1 1 44 44 LYS HA H 1 4.700 0.000 . 1 . . . . 44 K HA . 16857 1 281 . 1 1 44 44 LYS HB2 H 1 1.840 0.000 . 2 . . . . 44 K QB . 16857 1 282 . 1 1 44 44 LYS HB3 H 1 1.840 0.000 . 2 . . . . 44 K QB . 16857 1 283 . 1 1 44 44 LYS HD2 H 1 1.450 0.000 . 2 . . . . 44 K HD2 . 16857 1 284 . 1 1 44 44 LYS HD3 H 1 1.580 0.000 . 2 . . . . 44 K HD3 . 16857 1 285 . 1 1 44 44 LYS HE2 H 1 3.070 0.000 . 2 . . . . 44 K QE . 16857 1 286 . 1 1 44 44 LYS HE3 H 1 3.070 0.000 . 2 . . . . 44 K QE . 16857 1 287 . 1 1 44 44 LYS HG2 H 1 1.690 0.000 . 2 . . . . 44 K QG . 16857 1 288 . 1 1 44 44 LYS HG3 H 1 1.690 0.000 . 2 . . . . 44 K QG . 16857 1 stop_ save_