################################### # 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 19878 _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 1 '2D 1H-1H NOESY' . . . 19878 1 3 '2D 1H-1H COSY' . . . 19878 1 4 '2D 1H-1H TOCSY' . . . 19878 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 . . 19878 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 ARG H H 1 8.518 0.000 . . . . . A 2 ARG H . 19878 1 2 . 1 1 2 2 ARG HA H 1 4.349 0.000 . . . . . A 2 ARG HA . 19878 1 3 . 1 1 3 3 ARG H H 1 8.502 0.000 . . . . . A 3 ARG H . 19878 1 4 . 1 1 3 3 ARG HA H 1 4.579 0.000 . . . . . A 3 ARG HA . 19878 1 5 . 1 1 4 4 ARG H H 1 8.495 0.000 . . . . . A 4 ARG H . 19878 1 6 . 1 1 4 4 ARG HA H 1 4.334 0.000 . . . . . A 4 ARG HA . 19878 1 7 . 1 1 5 5 ARG HA H 1 4.070 0.002 . . . . . A 5 ARG HA . 19878 1 8 . 1 1 5 5 ARG HB2 H 1 1.676 0.000 . . . . . A 5 ARG HB2 . 19878 1 9 . 1 1 5 5 ARG HB3 H 1 1.938 0.001 . . . . . A 5 ARG HB3 . 19878 1 10 . 1 1 5 5 ARG HD2 H 1 3.244 0.000 . . . . . A 5 ARG HD2 . 19878 1 11 . 1 1 6 6 ARG H H 1 8.815 0.000 . . . . . A 6 ARG H . 19878 1 12 . 1 1 6 6 ARG HA H 1 4.390 0.000 . . . . . A 6 ARG HA . 19878 1 13 . 1 1 6 6 ARG HB2 H 1 1.668 0.000 . . . . . A 6 ARG HB2 . 19878 1 14 . 1 1 6 6 ARG HB3 H 1 1.801 0.000 . . . . . A 6 ARG HB3 . 19878 1 15 . 1 1 7 7 PRO HB3 H 1 2.370 0.003 . . . . . . 7 PRO HB3 . 19878 1 16 . 1 1 7 7 PRO HD2 H 1 3.666 0.004 . . . . . . 7 PRO HD2 . 19878 1 17 . 1 1 7 7 PRO HD3 H 1 3.810 0.002 . . . . . . 7 PRO HD3 . 19878 1 18 . 1 1 8 8 PRO HB2 H 1 2.060 0.000 . . . . . . 8 PRO HB2 . 19878 1 19 . 1 1 8 8 PRO HB3 H 1 2.507 0.001 . . . . . . 8 PRO HB3 . 19878 1 20 . 1 1 8 8 PRO HG2 H 1 1.944 0.000 . . . . . . 8 PRO HG2 . 19878 1 21 . 1 1 8 8 PRO HD2 H 1 3.699 0.008 . . . . . . 8 PRO HD2 . 19878 1 22 . 1 1 8 8 PRO HD3 H 1 3.889 0.004 . . . . . . 8 PRO HD3 . 19878 1 23 . 1 1 9 9 CYS HA H 1 4.049 0.007 . . . . . A 9 CYS HA . 19878 1 24 . 1 1 9 9 CYS HB2 H 1 2.671 0.004 . . . . . A 9 CYS HB2 . 19878 1 25 . 1 1 9 9 CYS HB3 H 1 2.977 0.004 . . . . . A 9 CYS HB3 . 19878 1 26 . 1 1 10 10 GLU HA H 1 4.365 0.000 . . . . . A 10 GLU HA . 19878 1 27 . 1 1 10 10 GLU HB3 H 1 2.119 0.001 . . . . . A 10 GLU HB3 . 19878 1 28 . 1 1 10 10 GLU HG2 H 1 2.506 0.000 . . . . . A 10 GLU HG2 . 19878 1 29 . 1 1 10 10 GLU HG3 H 1 2.535 0.007 . . . . . A 10 GLU HG3 . 19878 1 30 . 1 1 11 11 ASP H H 1 7.970 0.002 . . . . . A 11 ASP H . 19878 1 31 . 1 1 11 11 ASP HA H 1 4.679 0.000 . . . . . A 11 ASP HA . 19878 1 32 . 1 1 11 11 ASP HB2 H 1 2.974 0.000 . . . . . A 11 ASP HB2 . 19878 1 33 . 1 1 12 12 VAL H H 1 7.452 0.003 . . . . . A 12 VAL H . 19878 1 34 . 1 1 12 12 VAL HA H 1 4.596 0.002 . . . . . A 12 VAL HA . 19878 1 35 . 1 1 12 12 VAL HB H 1 2.509 0.002 . . . . . A 12 VAL HB . 19878 1 36 . 1 1 12 12 VAL HG21 H 1 0.850 0.003 . . . . . A 12 VAL QG2 . 19878 1 37 . 1 1 12 12 VAL HG22 H 1 0.850 0.003 . . . . . A 12 VAL QG2 . 19878 1 38 . 1 1 12 12 VAL HG23 H 1 0.850 0.003 . . . . . A 12 VAL QG2 . 19878 1 39 . 1 1 13 13 ASN H H 1 7.709 0.000 . . . . . A 13 ASN H . 19878 1 40 . 1 1 13 13 ASN HA H 1 4.369 0.003 . . . . . A 13 ASN HA . 19878 1 41 . 1 1 13 13 ASN HB2 H 1 2.980 0.000 . . . . . A 13 ASN HB2 . 19878 1 42 . 1 1 13 13 ASN HB3 H 1 3.088 0.001 . . . . . A 13 ASN HB3 . 19878 1 43 . 1 1 13 13 ASN HD21 H 1 6.876 0.000 . . . . . A 13 ASN HD21 . 19878 1 44 . 1 1 13 13 ASN HD22 H 1 7.480 0.000 . . . . . A 13 ASN HD22 . 19878 1 45 . 1 1 14 14 GLY H H 1 7.550 0.000 . . . . . A 14 GLY H . 19878 1 46 . 1 1 14 14 GLY HA2 H 1 3.313 0.000 . . . . . A 14 GLY HA2 . 19878 1 47 . 1 1 14 14 GLY HA3 H 1 4.578 0.000 . . . . . A 14 GLY HA3 . 19878 1 48 . 1 1 15 15 GLN H H 1 8.861 0.003 . . . . . A 15 GLN H . 19878 1 49 . 1 1 15 15 GLN HA H 1 4.554 0.000 . . . . . A 15 GLN HA . 19878 1 50 . 1 1 15 15 GLN HB2 H 1 1.859 0.006 . . . . . A 15 GLN HB2 . 19878 1 51 . 1 1 15 15 GLN HB3 H 1 1.930 0.001 . . . . . A 15 GLN HB3 . 19878 1 52 . 1 1 15 15 GLN HG2 H 1 2.278 0.001 . . . . . A 15 GLN HG2 . 19878 1 53 . 1 1 15 15 GLN HE21 H 1 6.893 0.003 . . . . . A 15 GLN HE21 . 19878 1 54 . 1 1 15 15 GLN HE22 H 1 7.568 0.002 . . . . . A 15 GLN HE22 . 19878 1 55 . 1 1 16 16 CYS H H 1 9.086 0.001 . . . . . A 16 CYS H . 19878 1 56 . 1 1 16 16 CYS HA H 1 5.233 0.002 . . . . . A 16 CYS HA . 19878 1 57 . 1 1 16 16 CYS HB2 H 1 2.909 0.009 . . . . . A 16 CYS HB2 . 19878 1 58 . 1 1 16 16 CYS HB3 H 1 2.954 0.006 . . . . . A 16 CYS HB3 . 19878 1 59 . 1 1 17 17 GLN H H 1 9.471 0.001 . . . . . A 17 GLN H . 19878 1 60 . 1 1 17 17 GLN HA H 1 5.105 0.001 . . . . . A 17 GLN HA . 19878 1 61 . 1 1 17 17 GLN HB2 H 1 1.993 0.000 . . . . . A 17 GLN HB2 . 19878 1 62 . 1 1 17 17 GLN HB3 H 1 2.161 0.003 . . . . . A 17 GLN HB3 . 19878 1 63 . 1 1 17 17 GLN HG2 H 1 2.258 0.002 . . . . . A 17 GLN HG2 . 19878 1 64 . 1 1 17 17 GLN HG3 H 1 2.426 0.002 . . . . . A 17 GLN HG3 . 19878 1 65 . 1 1 17 17 GLN HE21 H 1 6.792 0.001 . . . . . A 17 GLN HE21 . 19878 1 66 . 1 1 17 17 GLN HE22 H 1 7.133 0.001 . . . . . A 17 GLN HE22 . 19878 1 67 . 1 1 18 18 PRO HA H 1 4.623 0.001 . . . . . A 18 PRO HA . 19878 1 68 . 1 1 18 18 PRO HB2 H 1 2.064 0.003 . . . . . A 18 PRO HB2 . 19878 1 69 . 1 1 18 18 PRO HB3 H 1 2.417 0.002 . . . . . A 18 PRO HB3 . 19878 1 70 . 1 1 18 18 PRO HG2 H 1 1.968 0.000 . . . . . A 18 PRO HG2 . 19878 1 71 . 1 1 18 18 PRO HD2 H 1 3.732 0.005 . . . . . A 18 PRO HD2 . 19878 1 72 . 1 1 18 18 PRO HD3 H 1 3.872 0.007 . . . . . A 18 PRO HD3 . 19878 1 73 . 1 1 19 19 ARG H H 1 8.284 0.000 . . . . . A 19 ARG H . 19878 1 74 . 1 1 19 19 ARG HA H 1 3.927 0.001 . . . . . A 19 ARG HA . 19878 1 75 . 1 1 19 19 ARG HB2 H 1 1.734 0.002 . . . . . A 19 ARG HB2 . 19878 1 76 . 1 1 19 19 ARG HB3 H 1 1.807 0.002 . . . . . A 19 ARG HB3 . 19878 1 77 . 1 1 19 19 ARG HG2 H 1 1.570 0.002 . . . . . A 19 ARG HG2 . 19878 1 78 . 1 1 19 19 ARG HD2 H 1 3.181 0.000 . . . . . A 19 ARG HD2 . 19878 1 79 . 1 1 20 20 GLY H H 1 8.550 0.002 . . . . . A 20 GLY H . 19878 1 80 . 1 1 20 20 GLY HA2 H 1 3.879 0.004 . . . . . A 20 GLY HA2 . 19878 1 81 . 1 1 20 20 GLY HA3 H 1 4.002 0.003 . . . . . A 20 GLY HA3 . 19878 1 82 . 1 1 21 21 ASN H H 1 7.667 0.000 . . . . . A 21 ASN H . 19878 1 83 . 1 1 21 21 ASN HA H 1 5.007 0.002 . . . . . A 21 ASN HA . 19878 1 84 . 1 1 21 21 ASN HB2 H 1 2.731 0.000 . . . . . A 21 ASN HB2 . 19878 1 85 . 1 1 21 21 ASN HB3 H 1 2.837 0.003 . . . . . A 21 ASN HB3 . 19878 1 86 . 1 1 21 21 ASN HD21 H 1 7.119 0.001 . . . . . A 21 ASN HD21 . 19878 1 87 . 1 1 21 21 ASN HD22 H 1 7.525 0.001 . . . . . A 21 ASN HD22 . 19878 1 88 . 1 1 22 22 PRO HA H 1 4.368 0.002 . . . . . A 22 PRO HA . 19878 1 89 . 1 1 22 22 PRO HB2 H 1 2.117 0.003 . . . . . A 22 PRO HB2 . 19878 1 90 . 1 1 22 22 PRO HB3 H 1 2.276 0.004 . . . . . A 22 PRO HB3 . 19878 1 91 . 1 1 22 22 PRO HG2 H 1 1.906 0.005 . . . . . A 22 PRO HG2 . 19878 1 92 . 1 1 22 22 PRO HG3 H 1 2.023 0.000 . . . . . A 22 PRO HG3 . 19878 1 93 . 1 1 22 22 PRO HD2 H 1 3.632 0.002 . . . . . A 22 PRO HD2 . 19878 1 94 . 1 1 22 22 PRO HD3 H 1 3.921 0.006 . . . . . A 22 PRO HD3 . 19878 1 95 . 1 1 23 23 CYS H H 1 8.354 0.001 . . . . . A 23 CYS H . 19878 1 96 . 1 1 23 23 CYS HA H 1 4.820 0.002 . . . . . A 23 CYS HA . 19878 1 97 . 1 1 23 23 CYS HB2 H 1 2.981 0.002 . . . . . A 23 CYS HB2 . 19878 1 98 . 1 1 23 23 CYS HB3 H 1 3.218 0.007 . . . . . A 23 CYS HB3 . 19878 1 99 . 1 1 24 24 LEU H H 1 9.047 0.001 . . . . . A 24 LEU H . 19878 1 100 . 1 1 24 24 LEU HA H 1 4.595 0.003 . . . . . A 24 LEU HA . 19878 1 101 . 1 1 24 24 LEU HB2 H 1 1.721 0.002 . . . . . A 24 LEU HB2 . 19878 1 102 . 1 1 24 24 LEU HD11 H 1 0.937 0.001 . . . . . A 24 LEU QD1 . 19878 1 103 . 1 1 24 24 LEU HD12 H 1 0.937 0.001 . . . . . A 24 LEU QD1 . 19878 1 104 . 1 1 24 24 LEU HD13 H 1 0.937 0.001 . . . . . A 24 LEU QD1 . 19878 1 105 . 1 1 24 24 LEU HD21 H 1 0.992 0.001 . . . . . A 24 LEU QD2 . 19878 1 106 . 1 1 24 24 LEU HD22 H 1 0.992 0.001 . . . . . A 24 LEU QD2 . 19878 1 107 . 1 1 24 24 LEU HD23 H 1 0.992 0.001 . . . . . A 24 LEU QD2 . 19878 1 108 . 1 1 25 25 ARG H H 1 8.252 0.001 . . . . . A 25 ARG H . 19878 1 109 . 1 1 25 25 ARG HA H 1 4.498 0.000 . . . . . A 25 ARG HA . 19878 1 110 . 1 1 25 25 ARG HB2 H 1 1.793 0.007 . . . . . A 25 ARG HB2 . 19878 1 111 . 1 1 25 25 ARG HB3 H 1 1.840 0.002 . . . . . A 25 ARG HB3 . 19878 1 112 . 1 1 25 25 ARG HG2 H 1 1.669 0.008 . . . . . A 25 ARG HG2 . 19878 1 113 . 1 1 25 25 ARG HD2 H 1 3.240 0.000 . . . . . A 25 ARG HD2 . 19878 1 114 . 1 1 25 25 ARG HE H 1 7.382 0.001 . . . . . A 25 ARG HE . 19878 1 115 . 1 1 26 26 LEU H H 1 7.995 0.002 . . . . . A 26 LEU H . 19878 1 116 . 1 1 26 26 LEU HA H 1 4.648 0.006 . . . . . A 26 LEU HA . 19878 1 117 . 1 1 26 26 LEU HB2 H 1 1.293 0.004 . . . . . A 26 LEU HB2 . 19878 1 118 . 1 1 26 26 LEU HB3 H 1 1.368 0.000 . . . . . A 26 LEU HB3 . 19878 1 119 . 1 1 26 26 LEU HG H 1 1.569 0.006 . . . . . A 26 LEU HG . 19878 1 120 . 1 1 26 26 LEU HD11 H 1 0.806 0.002 . . . . . A 26 LEU QD1 . 19878 1 121 . 1 1 26 26 LEU HD12 H 1 0.806 0.002 . . . . . A 26 LEU QD1 . 19878 1 122 . 1 1 26 26 LEU HD13 H 1 0.806 0.002 . . . . . A 26 LEU QD1 . 19878 1 123 . 1 1 26 26 LEU HD21 H 1 0.923 0.006 . . . . . A 26 LEU QD2 . 19878 1 124 . 1 1 26 26 LEU HD22 H 1 0.923 0.006 . . . . . A 26 LEU QD2 . 19878 1 125 . 1 1 26 26 LEU HD23 H 1 0.923 0.006 . . . . . A 26 LEU QD2 . 19878 1 126 . 1 1 27 27 ARG H H 1 8.615 0.001 . . . . . A 27 ARG H . 19878 1 127 . 1 1 27 27 ARG HA H 1 4.351 0.002 . . . . . A 27 ARG HA . 19878 1 128 . 1 1 27 27 ARG HB2 H 1 1.771 0.004 . . . . . A 27 ARG HB2 . 19878 1 129 . 1 1 27 27 ARG HB3 H 1 1.811 0.012 . . . . . A 27 ARG HB3 . 19878 1 130 . 1 1 27 27 ARG HG2 H 1 1.637 0.006 . . . . . A 27 ARG HG2 . 19878 1 131 . 1 1 27 27 ARG HD2 H 1 3.217 0.004 . . . . . A 27 ARG HD2 . 19878 1 132 . 1 1 28 28 GLY H H 1 8.372 0.000 . . . . . A 28 GLY H . 19878 1 133 . 1 1 28 28 GLY HA3 H 1 3.954 0.000 . . . . . A 28 GLY HA3 . 19878 1 134 . 1 1 29 29 ALA H H 1 8.963 0.008 . . . . . A 29 ALA H . 19878 1 135 . 1 1 29 29 ALA HA H 1 4.559 0.003 . . . . . A 29 ALA HA . 19878 1 136 . 1 1 29 29 ALA HB1 H 1 1.269 0.003 . . . . . A 29 ALA QB . 19878 1 137 . 1 1 29 29 ALA HB2 H 1 1.269 0.003 . . . . . A 29 ALA QB . 19878 1 138 . 1 1 29 29 ALA HB3 H 1 1.269 0.003 . . . . . A 29 ALA QB . 19878 1 139 . 1 1 30 30 CYS H H 1 8.550 0.003 . . . . . A 30 CYS H . 19878 1 140 . 1 1 30 30 CYS HA H 1 5.075 0.000 . . . . . A 30 CYS HA . 19878 1 141 . 1 1 30 30 CYS HB2 H 1 2.313 0.000 . . . . . A 30 CYS HB2 . 19878 1 142 . 1 1 30 30 CYS HB3 H 1 3.265 0.003 . . . . . A 30 CYS HB3 . 19878 1 143 . 1 1 31 31 PRO HA H 1 4.492 0.003 . . . . . A 31 PRO HA . 19878 1 144 . 1 1 31 31 PRO HB2 H 1 2.025 0.002 . . . . . A 31 PRO HB2 . 19878 1 145 . 1 1 31 31 PRO HB3 H 1 2.411 0.001 . . . . . A 31 PRO HB3 . 19878 1 146 . 1 1 31 31 PRO HG2 H 1 1.857 0.008 . . . . . A 31 PRO HG2 . 19878 1 147 . 1 1 31 31 PRO HG3 H 1 1.982 0.001 . . . . . A 31 PRO HG3 . 19878 1 148 . 1 1 31 31 PRO HD2 H 1 3.570 0.005 . . . . . A 31 PRO HD2 . 19878 1 149 . 1 1 31 31 PRO HD3 H 1 3.867 0.009 . . . . . A 31 PRO HD3 . 19878 1 150 . 1 1 32 32 ARG H H 1 8.549 0.000 . . . . . A 32 ARG H . 19878 1 151 . 1 1 32 32 ARG HA H 1 4.119 0.004 . . . . . A 32 ARG HA . 19878 1 152 . 1 1 32 32 ARG HB2 H 1 1.786 0.001 . . . . . A 32 ARG HB2 . 19878 1 153 . 1 1 32 32 ARG HB3 H 1 1.872 0.004 . . . . . A 32 ARG HB3 . 19878 1 154 . 1 1 32 32 ARG HG2 H 1 1.647 0.004 . . . . . A 32 ARG HG2 . 19878 1 155 . 1 1 32 32 ARG HD2 H 1 3.263 0.001 . . . . . A 32 ARG HD2 . 19878 1 156 . 1 1 33 33 GLY H H 1 9.072 0.001 . . . . . A 33 GLY H . 19878 1 157 . 1 1 33 33 GLY HA2 H 1 3.703 0.003 . . . . . A 33 GLY HA2 . 19878 1 158 . 1 1 33 33 GLY HA3 H 1 4.431 0.002 . . . . . A 33 GLY HA3 . 19878 1 159 . 1 1 34 34 SER H H 1 8.285 0.001 . . . . . A 34 SER H . 19878 1 160 . 1 1 34 34 SER HA H 1 5.177 0.001 . . . . . A 34 SER HA . 19878 1 161 . 1 1 34 34 SER HB2 H 1 3.636 0.003 . . . . . A 34 SER HB . 19878 1 162 . 1 1 34 34 SER HB3 H 1 3.636 0.003 . . . . . A 34 SER HB . 19878 1 163 . 1 1 35 35 ARG H H 1 9.225 0.001 . . . . . A 35 ARG H . 19878 1 164 . 1 1 35 35 ARG HA H 1 4.725 0.000 . . . . . A 35 ARG HA . 19878 1 165 . 1 1 35 35 ARG HB2 H 1 1.636 0.000 . . . . . A 35 ARG HB2 . 19878 1 166 . 1 1 35 35 ARG HB3 H 1 1.809 0.003 . . . . . A 35 ARG HB3 . 19878 1 167 . 1 1 35 35 ARG HD2 H 1 3.147 0.000 . . . . . A 35 ARG HD2 . 19878 1 168 . 1 1 35 35 ARG HE H 1 7.607 0.000 . . . . . A 35 ARG HE . 19878 1 169 . 1 1 36 36 CYS H H 1 8.578 0.001 . . . . . A 36 CYS H . 19878 1 170 . 1 1 36 36 CYS HA H 1 4.694 0.001 . . . . . A 36 CYS HA . 19878 1 171 . 1 1 36 36 CYS HB2 H 1 2.981 0.003 . . . . . A 36 CYS HB2 . 19878 1 172 . 1 1 36 36 CYS HB3 H 1 3.164 0.000 . . . . . A 36 CYS HB3 . 19878 1 173 . 1 1 37 37 CYS H H 1 8.779 0.000 . . . . . A 37 CYS H . 19878 1 174 . 1 1 37 37 CYS HA H 1 5.389 0.002 . . . . . A 37 CYS HA . 19878 1 175 . 1 1 37 37 CYS HB2 H 1 2.746 0.003 . . . . . A 37 CYS HB2 . 19878 1 176 . 1 1 37 37 CYS HB3 H 1 3.426 0.006 . . . . . A 37 CYS HB3 . 19878 1 177 . 1 1 38 38 MET H H 1 9.100 0.003 . . . . . A 38 MET H . 19878 1 178 . 1 1 38 38 MET HA H 1 4.694 0.002 . . . . . A 38 MET HA . 19878 1 179 . 1 1 38 38 MET HB2 H 1 2.017 0.002 . . . . . A 38 MET HB2 . 19878 1 180 . 1 1 38 38 MET HB3 H 1 2.280 0.002 . . . . . A 38 MET HB3 . 19878 1 181 . 1 1 38 38 MET HG2 H 1 2.737 0.005 . . . . . A 38 MET HG2 . 19878 1 182 . 1 1 39 39 PRO HA H 1 4.496 0.001 . . . . . A 39 PRO HA . 19878 1 183 . 1 1 39 39 PRO HB2 H 1 2.104 0.004 . . . . . A 39 PRO HB2 . 19878 1 184 . 1 1 39 39 PRO HB3 H 1 2.241 0.003 . . . . . A 39 PRO HB3 . 19878 1 185 . 1 1 39 39 PRO HG2 H 1 1.885 0.000 . . . . . A 39 PRO HG2 . 19878 1 186 . 1 1 39 39 PRO HG3 H 1 1.910 0.000 . . . . . A 39 PRO HG3 . 19878 1 187 . 1 1 39 39 PRO HD2 H 1 3.888 0.001 . . . . . A 39 PRO HD2 . 19878 1 188 . 1 1 39 39 PRO HD3 H 1 4.192 0.003 . . . . . A 39 PRO HD3 . 19878 1 189 . 1 1 40 40 THR H H 1 8.335 0.001 . . . . . A 40 THR H . 19878 1 190 . 1 1 40 40 THR HA H 1 4.341 0.002 . . . . . A 40 THR HA . 19878 1 191 . 1 1 40 40 THR HB H 1 4.194 0.001 . . . . . A 40 THR HB . 19878 1 192 . 1 1 40 40 THR HG21 H 1 1.236 0.001 . . . . . A 40 THR QG2 . 19878 1 193 . 1 1 40 40 THR HG22 H 1 1.236 0.001 . . . . . A 40 THR QG2 . 19878 1 194 . 1 1 40 40 THR HG23 H 1 1.236 0.001 . . . . . A 40 THR QG2 . 19878 1 195 . 1 1 41 41 VAL H H 1 8.168 0.000 . . . . . A 41 VAL H . 19878 1 196 . 1 1 41 41 VAL HA H 1 4.147 0.001 . . . . . A 41 VAL HA . 19878 1 197 . 1 1 41 41 VAL HB H 1 2.068 0.001 . . . . . A 41 VAL HB . 19878 1 198 . 1 1 41 41 VAL HG21 H 1 0.948 0.002 . . . . . A 41 VAL QG2 . 19878 1 199 . 1 1 41 41 VAL HG22 H 1 0.948 0.002 . . . . . A 41 VAL QG2 . 19878 1 200 . 1 1 41 41 VAL HG23 H 1 0.948 0.002 . . . . . A 41 VAL QG2 . 19878 1 201 . 1 1 42 42 ALA H H 1 8.399 0.000 . . . . . A 42 ALA H . 19878 1 202 . 1 1 42 42 ALA HA H 1 4.300 0.003 . . . . . A 42 ALA HA . 19878 1 203 . 1 1 42 42 ALA HB1 H 1 1.377 0.001 . . . . . A 42 ALA QB . 19878 1 204 . 1 1 42 42 ALA HB2 H 1 1.377 0.001 . . . . . A 42 ALA QB . 19878 1 205 . 1 1 42 42 ALA HB3 H 1 1.377 0.001 . . . . . A 42 ALA QB . 19878 1 206 . 1 1 43 43 ALA H H 1 8.299 0.000 . . . . . A 43 ALA H . 19878 1 207 . 1 1 43 43 ALA HA H 1 4.261 0.002 . . . . . A 43 ALA HA . 19878 1 208 . 1 1 43 43 ALA HB1 H 1 1.356 0.002 . . . . . A 43 ALA QB . 19878 1 209 . 1 1 43 43 ALA HB2 H 1 1.356 0.002 . . . . . A 43 ALA QB . 19878 1 210 . 1 1 43 43 ALA HB3 H 1 1.356 0.002 . . . . . A 43 ALA QB . 19878 1 211 . 1 1 44 44 HIS H H 1 8.449 0.000 . . . . . A 44 HIS H . 19878 1 212 . 1 1 44 44 HIS HA H 1 4.687 0.000 . . . . . A 44 HIS HA . 19878 1 213 . 1 1 44 44 HIS HB2 H 1 3.196 0.001 . . . . . A 44 HIS HB2 . 19878 1 214 . 1 1 44 44 HIS HB3 H 1 3.306 0.001 . . . . . A 44 HIS HB3 . 19878 1 215 . 1 1 44 44 HIS HD2 H 1 7.332 0.001 . . . . . A 44 HIS HD2 . 19878 1 216 . 1 1 44 44 HIS HE1 H 1 8.623 0.002 . . . . . A 44 HIS HE1 . 19878 1 stop_ save_