################################### # 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 17227 _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 0.005 _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 NOESY . . . 17227 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 3 $XEASY_MOLMOL . . 17227 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 2 2 SER H H 1 8.629 0.005 . 1 . . . . 2 S H . 17227 1 2 . 1 1 2 2 SER HA H 1 4.512 0.001 . 1 . . . . 2 S HA . 17227 1 3 . 1 1 2 2 SER HB2 H 1 3.844 0.005 . 2 . . . . 2 S QB . 17227 1 4 . 1 1 2 2 SER HB3 H 1 3.844 0.005 . 2 . . . . 2 S QB . 17227 1 5 . 1 1 3 3 ALA H H 1 8.370 0.005 . 1 . . . . 3 A H . 17227 1 6 . 1 1 3 3 ALA HA H 1 4.385 0.005 . 1 . . . . 3 A HA . 17227 1 7 . 1 1 3 3 ALA HB1 H 1 1.327 0.005 . . . . . . 3 A QB . 17227 1 8 . 1 1 3 3 ALA HB2 H 1 1.327 0.005 . . . . . . 3 A QB . 17227 1 9 . 1 1 3 3 ALA HB3 H 1 1.327 0.005 . . . . . . 3 A QB . 17227 1 10 . 1 1 4 4 PHE H H 1 8.052 0.005 . 1 . . . . 4 F H . 17227 1 11 . 1 1 4 4 PHE HA H 1 4.650 0.005 . 1 . . . . 4 F HA . 17227 1 12 . 1 1 4 4 PHE HB2 H 1 3.112 0.005 . 2 . . . . 4 F HB2 . 17227 1 13 . 1 1 4 4 PHE HB3 H 1 2.988 0.005 . 2 . . . . 4 F HB3 . 17227 1 14 . 1 1 5 5 CYS H H 1 8.162 0.001 . 1 . . . . 5 C H . 17227 1 15 . 1 1 5 5 CYS HA H 1 4.406 0.001 . 1 . . . . 5 C HA . 17227 1 16 . 1 1 5 5 CYS HB2 H 1 2.796 0.004 . 2 . . . . 5 C HB2 . 17227 1 17 . 1 1 5 5 CYS HB3 H 1 2.708 0.005 . 2 . . . . 5 C HB3 . 17227 1 18 . 1 1 6 6 ASN H H 1 8.705 0.005 . 1 . . . . 6 N H . 17227 1 19 . 1 1 6 6 ASN HA H 1 4.820 0.005 . 1 . . . . 6 N HA . 17227 1 20 . 1 1 6 6 ASN HB2 H 1 2.900 0.005 . 2 . . . . 6 N HB2 . 17227 1 21 . 1 1 6 6 ASN HB3 H 1 2.777 0.005 . 2 . . . . 6 N HB3 . 17227 1 22 . 1 1 7 7 LEU H H 1 8.799 0.005 . 1 . . . . 7 L H . 17227 1 23 . 1 1 7 7 LEU HA H 1 3.989 0.003 . 1 . . . . 7 L HA . 17227 1 24 . 1 1 7 7 LEU HB2 H 1 1.787 0.005 . 2 . . . . 7 L HB2 . 17227 1 25 . 1 1 7 7 LEU HB3 H 1 1.577 0.005 . 2 . . . . 7 L HB3 . 17227 1 26 . 1 1 7 7 LEU HD11 H 1 0.960 0.006 . . . . . . 7 L QD1 . 17227 1 27 . 1 1 7 7 LEU HD12 H 1 0.960 0.006 . . . . . . 7 L QD1 . 17227 1 28 . 1 1 7 7 LEU HD13 H 1 0.960 0.006 . . . . . . 7 L QD1 . 17227 1 29 . 1 1 7 7 LEU HG H 1 1.502 0.005 . 1 . . . . 7 L HG . 17227 1 30 . 1 1 8 8 ARG H H 1 8.304 0.005 . 1 . . . . 8 R H . 17227 1 31 . 1 1 8 8 ARG HA H 1 4.069 0.005 . 1 . . . . 8 R HA . 17227 1 32 . 1 1 8 8 ARG HB2 H 1 1.945 0.002 . 2 . . . . 8 R HB2 . 17227 1 33 . 1 1 8 8 ARG HB3 H 1 1.768 0.005 . 2 . . . . 8 R HB3 . 17227 1 34 . 1 1 8 8 ARG HD2 H 1 3.296 0.005 . 2 . . . . 8 R QD . 17227 1 35 . 1 1 8 8 ARG HD3 H 1 3.296 0.005 . 2 . . . . 8 R QD . 17227 1 36 . 1 1 8 8 ARG HE H 1 7.296 0.005 . 1 . . . . 8 R HE . 17227 1 37 . 1 1 8 8 ARG HG2 H 1 1.655 0.005 . 2 . . . . 8 R QG . 17227 1 38 . 1 1 8 8 ARG HG3 H 1 1.655 0.005 . 2 . . . . 8 R QG . 17227 1 39 . 1 1 9 9 ARG H H 1 8.004 0.003 . 1 . . . . 9 R H . 17227 1 40 . 1 1 9 9 ARG HA H 1 4.023 0.005 . 1 . . . . 9 R HA . 17227 1 41 . 1 1 9 9 ARG HB2 H 1 1.943 0.001 . 2 . . . . 9 R HB2 . 17227 1 42 . 1 1 9 9 ARG HB3 H 1 1.863 0.002 . 2 . . . . 9 R HB3 . 17227 1 43 . 1 1 9 9 ARG HD2 H 1 3.249 0.002 . 2 . . . . 9 R QD . 17227 1 44 . 1 1 9 9 ARG HD3 H 1 3.249 0.002 . 2 . . . . 9 R QD . 17227 1 45 . 1 1 9 9 ARG HE H 1 7.279 0.005 . 1 . . . . 9 R HE . 17227 1 46 . 1 1 9 9 ARG HG2 H 1 1.676 0.001 . 2 . . . . 9 R QG . 17227 1 47 . 1 1 9 9 ARG HG3 H 1 1.676 0.001 . 2 . . . . 9 R QG . 17227 1 48 . 1 1 10 10 CYS H H 1 8.709 0.006 . 1 . . . . 10 C H . 17227 1 49 . 1 1 10 10 CYS HA H 1 4.655 0.003 . 1 . . . . 10 C HA . 17227 1 50 . 1 1 10 10 CYS HB2 H 1 3.206 0.003 . 2 . . . . 10 C HB2 . 17227 1 51 . 1 1 10 10 CYS HB3 H 1 2.784 0.014 . 2 . . . . 10 C HB3 . 17227 1 52 . 1 1 11 11 GLU H H 1 9.058 0.005 . 1 . . . . 11 E H . 17227 1 53 . 1 1 11 11 GLU HA H 1 3.811 0.015 . 1 . . . . 11 E HA . 17227 1 54 . 1 1 11 11 GLU HB2 H 1 2.416 0.004 . 2 . . . . 11 E HB2 . 17227 1 55 . 1 1 11 11 GLU HB3 H 1 2.104 0.002 . 2 . . . . 11 E HB3 . 17227 1 56 . 1 1 11 11 GLU HG2 H 1 2.673 0.008 . 2 . . . . 11 E HG2 . 17227 1 57 . 1 1 11 11 GLU HG3 H 1 2.590 0.008 . 2 . . . . 11 E HG3 . 17227 1 58 . 1 1 12 12 LEU H H 1 8.123 0.005 . 1 . . . . 12 L H . 17227 1 59 . 1 1 12 12 LEU HA H 1 4.099 0.007 . 1 . . . . 12 L HA . 17227 1 60 . 1 1 12 12 LEU HB2 H 1 1.901 0.004 . 2 . . . . 12 L HB2 . 17227 1 61 . 1 1 12 12 LEU HB3 H 1 1.833 0.001 . 2 . . . . 12 L HB3 . 17227 1 62 . 1 1 12 12 LEU HD11 H 1 0.935 0.001 . . . . . . 12 L QD1 . 17227 1 63 . 1 1 12 12 LEU HD12 H 1 0.935 0.001 . . . . . . 12 L QD1 . 17227 1 64 . 1 1 12 12 LEU HD13 H 1 0.935 0.001 . . . . . . 12 L QD1 . 17227 1 65 . 1 1 12 12 LEU HG H 1 1.704 0.001 . 1 . . . . 12 L HG . 17227 1 66 . 1 1 13 13 SER H H 1 8.459 0.005 . 1 . . . . 13 S H . 17227 1 67 . 1 1 13 13 SER HA H 1 4.310 0.004 . 1 . . . . 13 S HA . 17227 1 68 . 1 1 13 13 SER HB2 H 1 4.049 0.001 . 2 . . . . 13 S QB . 17227 1 69 . 1 1 13 13 SER HB3 H 1 4.049 0.001 . 2 . . . . 13 S QB . 17227 1 70 . 1 1 14 14 CYS H H 1 8.285 0.005 . 1 . . . . 14 C H . 17227 1 71 . 1 1 14 14 CYS HA H 1 4.491 0.005 . 1 . . . . 14 C HA . 17227 1 72 . 1 1 14 14 CYS HB2 H 1 2.410 0.005 . 2 . . . . 14 C QB . 17227 1 73 . 1 1 14 14 CYS HB3 H 1 2.410 0.005 . 2 . . . . 14 C QB . 17227 1 74 . 1 1 15 15 ARG H H 1 8.334 0.005 . 1 . . . . 15 R H . 17227 1 75 . 1 1 15 15 ARG HA H 1 4.471 0.005 . 1 . . . . 15 R HA . 17227 1 76 . 1 1 15 15 ARG HB2 H 1 2.247 0.003 . 2 . . . . 15 R HB2 . 17227 1 77 . 1 1 15 15 ARG HB3 H 1 2.094 0.003 . 2 . . . . 15 R HB3 . 17227 1 78 . 1 1 15 15 ARG HD2 H 1 3.289 0.004 . 2 . . . . 15 R QD . 17227 1 79 . 1 1 15 15 ARG HD3 H 1 3.289 0.004 . 2 . . . . 15 R QD . 17227 1 80 . 1 1 15 15 ARG HE H 1 7.260 0.005 . 1 . . . . 15 R HE . 17227 1 81 . 1 1 15 15 ARG HG2 H 1 1.879 0.007 . 2 . . . . 15 R QG . 17227 1 82 . 1 1 15 15 ARG HG3 H 1 1.879 0.007 . 2 . . . . 15 R QG . 17227 1 83 . 1 1 16 16 SER H H 1 7.728 0.004 . 1 . . . . 16 S H . 17227 1 84 . 1 1 16 16 SER HA H 1 4.406 0.019 . 1 . . . . 16 S HA . 17227 1 85 . 1 1 16 16 SER HB2 H 1 4.093 0.005 . 2 . . . . 16 S QB . 17227 1 86 . 1 1 16 16 SER HB3 H 1 4.093 0.005 . 2 . . . . 16 S QB . 17227 1 87 . 1 1 17 17 LEU H H 1 7.401 0.001 . 1 . . . . 17 L H . 17227 1 88 . 1 1 17 17 LEU HA H 1 4.556 0.005 . 1 . . . . 17 L HA . 17227 1 89 . 1 1 17 17 LEU HB2 H 1 1.867 0.001 . 2 . . . . 17 L QB . 17227 1 90 . 1 1 17 17 LEU HB3 H 1 1.867 0.001 . 2 . . . . 17 L QB . 17227 1 91 . 1 1 17 17 LEU HD11 H 1 1.005 0.003 . . . . . . 17 L QD1 . 17227 1 92 . 1 1 17 17 LEU HD12 H 1 1.005 0.003 . . . . . . 17 L QD1 . 17227 1 93 . 1 1 17 17 LEU HD13 H 1 1.005 0.003 . . . . . . 17 L QD1 . 17227 1 94 . 1 1 17 17 LEU HD21 H 1 0.895 0.003 . . . . . . 17 L QD2 . 17227 1 95 . 1 1 17 17 LEU HD22 H 1 0.895 0.003 . . . . . . 17 L QD2 . 17227 1 96 . 1 1 17 17 LEU HD23 H 1 0.895 0.003 . . . . . . 17 L QD2 . 17227 1 97 . 1 1 17 17 LEU HG H 1 1.761 0.002 . 1 . . . . 17 L HG . 17227 1 98 . 1 1 18 18 GLY H H 1 8.170 0.001 . 1 . . . . 18 G H . 17227 1 99 . 1 1 18 18 GLY HA2 H 1 3.988 0.005 . 2 . . . . 18 G HA2 . 17227 1 100 . 1 1 18 18 GLY HA3 H 1 4.176 0.005 . 2 . . . . 18 G HA3 . 17227 1 101 . 1 1 19 19 LEU H H 1 7.449 0.005 . 1 . . . . 19 L H . 17227 1 102 . 1 1 19 19 LEU HA H 1 4.665 0.005 . 1 . . . . 19 L HA . 17227 1 103 . 1 1 19 19 LEU HB2 H 1 1.273 0.007 . 2 . . . . 19 L QB . 17227 1 104 . 1 1 19 19 LEU HB3 H 1 1.273 0.007 . 2 . . . . 19 L QB . 17227 1 105 . 1 1 19 19 LEU HD11 H 1 0.730 0.005 . . . . . . 19 L QD1 . 17227 1 106 . 1 1 19 19 LEU HD12 H 1 0.730 0.005 . . . . . . 19 L QD1 . 17227 1 107 . 1 1 19 19 LEU HD13 H 1 0.730 0.005 . . . . . . 19 L QD1 . 17227 1 108 . 1 1 19 19 LEU HG H 1 1.441 0.005 . 1 . . . . 19 L HG . 17227 1 109 . 1 1 20 20 LEU H H 1 8.641 0.005 . 1 . . . . 20 L H . 17227 1 110 . 1 1 20 20 LEU HA H 1 4.316 0.002 . 1 . . . . 20 L HA . 17227 1 111 . 1 1 20 20 LEU HB2 H 1 1.454 0.003 . 2 . . . . 20 L QB . 17227 1 112 . 1 1 20 20 LEU HB3 H 1 1.454 0.003 . 2 . . . . 20 L QB . 17227 1 113 . 1 1 20 20 LEU HD11 H 1 0.851 0.001 . . . . . . 20 L QD1 . 17227 1 114 . 1 1 20 20 LEU HD12 H 1 0.851 0.001 . . . . . . 20 L QD1 . 17227 1 115 . 1 1 20 20 LEU HD13 H 1 0.851 0.001 . . . . . . 20 L QD1 . 17227 1 116 . 1 1 20 20 LEU HD21 H 1 0.736 0.001 . . . . . . 20 L QD2 . 17227 1 117 . 1 1 20 20 LEU HD22 H 1 0.736 0.001 . . . . . . 20 L QD2 . 17227 1 118 . 1 1 20 20 LEU HD23 H 1 0.736 0.001 . . . . . . 20 L QD2 . 17227 1 119 . 1 1 20 20 LEU HG H 1 1.230 0.002 . 1 . . . . 20 L HG . 17227 1 120 . 1 1 21 21 GLY H H 1 8.042 0.007 . 1 . . . . 21 G H . 17227 1 121 . 1 1 21 21 GLY HA2 H 1 5.213 0.004 . 2 . . . . 21 G HA2 . 17227 1 122 . 1 1 21 21 GLY HA3 H 1 3.000 0.002 . 2 . . . . 21 G HA3 . 17227 1 123 . 1 1 22 22 LYS H H 1 8.864 0.002 . 1 . . . . 22 K H . 17227 1 124 . 1 1 22 22 LYS HA H 1 4.400 0.001 . 1 . . . . 22 K HA . 17227 1 125 . 1 1 22 22 LYS HB2 H 1 1.691 0.005 . 2 . . . . 22 K HB2 . 17227 1 126 . 1 1 22 22 LYS HB3 H 1 1.559 0.001 . 2 . . . . 22 K HB3 . 17227 1 127 . 1 1 22 22 LYS HD2 H 1 2.852 0.005 . 2 . . . . 22 K QD . 17227 1 128 . 1 1 22 22 LYS HD3 H 1 2.852 0.005 . 2 . . . . 22 K QD . 17227 1 129 . 1 1 22 22 LYS HG2 H 1 1.293 0.001 . 2 . . . . 22 K QG . 17227 1 130 . 1 1 22 22 LYS HG3 H 1 1.293 0.001 . 2 . . . . 22 K QG . 17227 1 131 . 1 1 23 23 CYS H H 1 8.254 0.006 . 1 . . . . 23 C H . 17227 1 132 . 1 1 23 23 CYS HA H 1 5.300 0.008 . 1 . . . . 23 C HA . 17227 1 133 . 1 1 23 23 CYS HB2 H 1 2.964 0.004 . 2 . . . . 23 C HB2 . 17227 1 134 . 1 1 23 23 CYS HB3 H 1 2.845 0.005 . 2 . . . . 23 C HB3 . 17227 1 135 . 1 1 24 24 ILE H H 1 9.049 0.005 . 1 . . . . 24 I H . 17227 1 136 . 1 1 24 24 ILE HA H 1 4.266 0.006 . 1 . . . . 24 I HA . 17227 1 137 . 1 1 24 24 ILE HB H 1 1.811 0.004 . 1 . . . . 24 I HB . 17227 1 138 . 1 1 24 24 ILE HD11 H 1 0.811 0.005 . . . . . . 24 I QD1 . 17227 1 139 . 1 1 24 24 ILE HD12 H 1 0.811 0.005 . . . . . . 24 I QD1 . 17227 1 140 . 1 1 24 24 ILE HD13 H 1 0.811 0.005 . . . . . . 24 I QD1 . 17227 1 141 . 1 1 24 24 ILE HG12 H 1 1.412 0.005 . 2 . . . . 24 I HG12 . 17227 1 142 . 1 1 24 24 ILE HG13 H 1 1.116 0.005 . 2 . . . . 24 I HG13 . 17227 1 143 . 1 1 24 24 ILE HG21 H 1 0.888 0.001 . . . . . . 24 I QG2 . 17227 1 144 . 1 1 24 24 ILE HG22 H 1 0.888 0.001 . . . . . . 24 I QG2 . 17227 1 145 . 1 1 24 24 ILE HG23 H 1 0.888 0.001 . . . . . . 24 I QG2 . 17227 1 146 . 1 1 25 25 GLY H H 1 9.013 0.002 . 1 . . . . 25 G H . 17227 1 147 . 1 1 25 25 GLY HA2 H 1 3.956 0.005 . 2 . . . . 25 G HA2 . 17227 1 148 . 1 1 25 25 GLY HA3 H 1 3.728 0.003 . 2 . . . . 25 G HA3 . 17227 1 149 . 1 1 26 26 GLU H H 1 8.851 0.005 . 1 . . . . 26 E H . 17227 1 150 . 1 1 26 26 GLU HA H 1 4.166 0.005 . 1 . . . . 26 E HA . 17227 1 151 . 1 1 26 26 GLU HB2 H 1 1.972 0.006 . 2 . . . . 26 E QB . 17227 1 152 . 1 1 26 26 GLU HB3 H 1 1.972 0.006 . 2 . . . . 26 E QB . 17227 1 153 . 1 1 26 26 GLU HG2 H 1 2.263 0.010 . 2 . . . . 26 E HG2 . 17227 1 154 . 1 1 26 26 GLU HG3 H 1 2.429 0.005 . 2 . . . . 26 E HG3 . 17227 1 155 . 1 1 27 27 GLU H H 1 7.734 0.006 . 1 . . . . 27 E H . 17227 1 156 . 1 1 27 27 GLU HA H 1 4.534 0.005 . 1 . . . . 27 E HA . 17227 1 157 . 1 1 27 27 GLU HB2 H 1 2.074 0.002 . 2 . . . . 27 E HB2 . 17227 1 158 . 1 1 27 27 GLU HB3 H 1 2.013 0.005 . 2 . . . . 27 E HB3 . 17227 1 159 . 1 1 27 27 GLU HG2 H 1 2.428 0.014 . 2 . . . . 27 E HG2 . 17227 1 160 . 1 1 27 27 GLU HG3 H 1 2.353 0.005 . 2 . . . . 27 E HG3 . 17227 1 161 . 1 1 28 28 CYS H H 1 8.690 0.001 . 1 . . . . 28 C H . 17227 1 162 . 1 1 28 28 CYS HA H 1 5.044 0.014 . 1 . . . . 28 C HA . 17227 1 163 . 1 1 28 28 CYS HB2 H 1 3.065 0.003 . 2 . . . . 28 C HB2 . 17227 1 164 . 1 1 28 28 CYS HB3 H 1 2.695 0.001 . 2 . . . . 28 C HB3 . 17227 1 165 . 1 1 29 29 LYS H H 1 9.499 0.005 . 1 . . . . 29 K H . 17227 1 166 . 1 1 29 29 LYS HA H 1 4.682 0.003 . 1 . . . . 29 K HA . 17227 1 167 . 1 1 29 29 LYS HB2 H 1 1.742 0.005 . 2 . . . . 29 K HB2 . 17227 1 168 . 1 1 29 29 LYS HB3 H 1 1.641 0.005 . 2 . . . . 29 K HB3 . 17227 1 169 . 1 1 29 29 LYS HD2 H 1 1.412 0.005 . 2 . . . . 29 K QD . 17227 1 170 . 1 1 29 29 LYS HD3 H 1 1.412 0.005 . 2 . . . . 29 K QD . 17227 1 171 . 1 1 29 29 LYS HE2 H 1 2.852 0.005 . 2 . . . . 29 K QE . 17227 1 172 . 1 1 29 29 LYS HE3 H 1 2.852 0.005 . 2 . . . . 29 K QE . 17227 1 173 . 1 1 29 29 LYS HG2 H 1 1.319 0.015 . 2 . . . . 29 K QG . 17227 1 174 . 1 1 29 29 LYS HG3 H 1 1.319 0.015 . 2 . . . . 29 K QG . 17227 1 175 . 1 1 30 30 CYS H H 1 8.541 0.005 . 1 . . . . 30 C H . 17227 1 176 . 1 1 30 30 CYS HA H 1 5.699 0.005 . 1 . . . . 30 C HA . 17227 1 177 . 1 1 30 30 CYS HB2 H 1 2.950 0.005 . 2 . . . . 30 C HB2 . 17227 1 178 . 1 1 30 30 CYS HB3 H 1 2.665 0.002 . 2 . . . . 30 C HB3 . 17227 1 179 . 1 1 31 31 VAL H H 1 9.515 0.002 . 1 . . . . 31 V H . 17227 1 180 . 1 1 31 31 VAL HA H 1 4.955 0.005 . 1 . . . . 31 V HA . 17227 1 181 . 1 1 31 31 VAL HB H 1 2.284 0.007 . 1 . . . . 31 V HB . 17227 1 182 . 1 1 31 31 VAL HG11 H 1 0.857 0.001 . . . . . . 31 V QG1 . 17227 1 183 . 1 1 31 31 VAL HG12 H 1 0.857 0.001 . . . . . . 31 V QG1 . 17227 1 184 . 1 1 31 31 VAL HG13 H 1 0.857 0.001 . . . . . . 31 V QG1 . 17227 1 185 . 1 1 31 31 VAL HG21 H 1 0.740 0.004 . . . . . . 31 V QG2 . 17227 1 186 . 1 1 31 31 VAL HG22 H 1 0.740 0.004 . . . . . . 31 V QG2 . 17227 1 187 . 1 1 31 31 VAL HG23 H 1 0.740 0.004 . . . . . . 31 V QG2 . 17227 1 188 . 1 1 32 32 PRO HB2 H 1 2.333 0.005 . 2 . . . . 32 P HB2 . 17227 1 189 . 1 1 32 32 PRO HB3 H 1 2.058 0.005 . 2 . . . . 32 P HB3 . 17227 1 190 . 1 1 32 32 PRO HD2 H 1 3.810 0.005 . 2 . . . . 32 P HD2 . 17227 1 191 . 1 1 32 32 PRO HD3 H 1 3.640 0.007 . 2 . . . . 32 P HD3 . 17227 1 192 . 1 1 32 32 PRO HG2 H 1 1.940 0.005 . 2 . . . . 32 P QG . 17227 1 193 . 1 1 32 32 PRO HG3 H 1 1.940 0.005 . 2 . . . . 32 P QG . 17227 1 194 . 1 1 33 33 TYR H H 1 8.262 0.005 . 1 . . . . 33 Y H . 17227 1 195 . 1 1 33 33 TYR HA H 1 4.247 0.005 . 1 . . . . 33 Y HA . 17227 1 196 . 1 1 33 33 TYR HB2 H 1 3.109 0.005 . 2 . . . . 33 Y HB2 . 17227 1 197 . 1 1 33 33 TYR HB3 H 1 2.905 0.005 . 2 . . . . 33 Y HB3 . 17227 1 198 . 1 1 33 33 TYR HD1 H 1 7.223 0.005 . 3 . . . . 33 Y QD . 17227 1 199 . 1 1 33 33 TYR HD2 H 1 7.223 0.005 . 3 . . . . 33 Y QD . 17227 1 200 . 1 1 33 33 TYR HE1 H 1 6.732 0.005 . 3 . . . . 33 Y QE . 17227 1 201 . 1 1 33 33 TYR HE2 H 1 6.732 0.005 . 3 . . . . 33 Y QE . 17227 1 stop_ save_