################################### # 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 30089 _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 $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 NOESY' . . . 30089 1 2 '2D 1H-1H TOCSY' . . . 30089 1 3 '2D DQF-COSY' . . . 30089 1 4 '2D 1H-1H NOESY' . . . 30089 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 2 $software_2 . . 30089 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.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 ALA HA H 1 4.103 0.020 . . . . . . A 1 ALA HA . 30089 1 2 . 1 1 1 1 ALA HB1 H 1 1.548 0.020 . . . . . . A 1 ALA HB1 . 30089 1 3 . 1 1 1 1 ALA HB2 H 1 1.548 0.020 . . . . . . A 1 ALA HB2 . 30089 1 4 . 1 1 1 1 ALA HB3 H 1 1.548 0.020 . . . . . . A 1 ALA HB3 . 30089 1 5 . 1 1 1 1 ALA H H 1 8.673 0.020 . . . . . . A 1 ALA H1 . 30089 1 6 . 1 1 2 2 LYS H H 1 8.511 0.020 . . . . . . A 2 LYS H . 30089 1 7 . 1 1 2 2 LYS HA H 1 4.256 0.020 . . . . . . A 2 LYS HA . 30089 1 8 . 1 1 2 2 LYS HB2 H 1 1.792 0.020 . . . . . . A 2 LYS HB2 . 30089 1 9 . 1 1 2 2 LYS HB3 H 1 1.731 0.020 . . . . . . A 2 LYS HB3 . 30089 1 10 . 1 1 2 2 LYS HG2 H 1 1.464 0.020 . . . . . . A 2 LYS HG2 . 30089 1 11 . 1 1 2 2 LYS HG3 H 1 1.312 0.020 . . . . . . A 2 LYS HG3 . 30089 1 12 . 1 1 2 2 LYS HD2 H 1 1.681 0.020 . . . . . . A 2 LYS HD2 . 30089 1 13 . 1 1 2 2 LYS HD3 H 1 1.681 0.020 . . . . . . A 2 LYS HD3 . 30089 1 14 . 1 1 2 2 LYS HE2 H 1 2.950 0.020 . . . . . . A 2 LYS HE2 . 30089 1 15 . 1 1 2 2 LYS HE3 H 1 2.950 0.020 . . . . . . A 2 LYS HE3 . 30089 1 16 . 1 1 3 3 ASN H H 1 8.405 0.020 . . . . . . A 3 ASN H . 30089 1 17 . 1 1 3 3 ASN HA H 1 4.599 0.020 . . . . . . A 3 ASN HA . 30089 1 18 . 1 1 3 3 ASN HB2 H 1 2.931 0.020 . . . . . . A 3 ASN HB2 . 30089 1 19 . 1 1 3 3 ASN HB3 H 1 2.931 0.020 . . . . . . A 3 ASN HB3 . 30089 1 20 . 1 1 3 3 ASN HD21 H 1 7.520 0.020 . . . . . . A 3 ASN HD21 . 30089 1 21 . 1 1 3 3 ASN HD22 H 1 6.907 0.020 . . . . . . A 3 ASN HD22 . 30089 1 22 . 1 1 4 4 GLN H H 1 8.200 0.020 . . . . . . A 4 GLN H . 30089 1 23 . 1 1 4 4 GLN HA H 1 4.353 0.020 . . . . . . A 4 GLN HA . 30089 1 24 . 1 1 4 4 GLN HB2 H 1 2.055 0.020 . . . . . . A 4 GLN HB2 . 30089 1 25 . 1 1 4 4 GLN HB3 H 1 1.974 0.020 . . . . . . A 4 GLN HB3 . 30089 1 26 . 1 1 4 4 GLN HG2 H 1 2.570 0.020 . . . . . . A 4 GLN HG2 . 30089 1 27 . 1 1 4 4 GLN HG3 H 1 2.202 0.020 . . . . . . A 4 GLN HG3 . 30089 1 28 . 1 1 4 4 GLN HE21 H 1 7.543 0.020 . . . . . . A 4 GLN HE21 . 30089 1 29 . 1 1 4 4 GLN HE22 H 1 6.862 0.020 . . . . . . A 4 GLN HE22 . 30089 1 30 . 1 1 5 5 PHE H H 1 8.320 0.020 . . . . . . A 5 PHE H . 30089 1 31 . 1 1 5 5 PHE HA H 1 4.082 0.020 . . . . . . A 5 PHE HA . 30089 1 32 . 1 1 5 5 PHE HB2 H 1 2.994 0.020 . . . . . . A 5 PHE HB2 . 30089 1 33 . 1 1 5 5 PHE HB3 H 1 2.672 0.020 . . . . . . A 5 PHE HB3 . 30089 1 34 . 1 1 5 5 PHE HD1 H 1 6.882 0.020 . . . . . . A 5 PHE HD1 . 30089 1 35 . 1 1 5 5 PHE HD2 H 1 6.861 0.020 . . . . . . A 5 PHE HD2 . 30089 1 36 . 1 1 5 5 PHE HE1 H 1 6.980 0.020 . . . . . . A 5 PHE HE1 . 30089 1 37 . 1 1 5 5 PHE HE2 H 1 6.974 0.020 . . . . . . A 5 PHE HE2 . 30089 1 38 . 1 1 5 5 PHE HZ H 1 6.812 0.020 . . . . . . A 5 PHE HZ . 30089 1 39 . 1 1 6 6 GLY H H 1 8.082 0.020 . . . . . . A 6 GLY H . 30089 1 40 . 1 1 6 6 GLY HA2 H 1 4.024 0.020 . . . . . . A 6 GLY HA2 . 30089 1 41 . 1 1 6 6 GLY HA3 H 1 3.647 0.020 . . . . . . A 6 GLY HA3 . 30089 1 42 . 1 1 7 7 CYS H H 1 7.906 0.020 . . . . . . A 7 CYS H . 30089 1 43 . 1 1 7 7 CYS HA H 1 5.097 0.020 . . . . . . A 7 CYS HA . 30089 1 44 . 1 1 7 7 CYS HB2 H 1 2.710 0.020 . . . . . . A 7 CYS HB2 . 30089 1 45 . 1 1 7 7 CYS HB3 H 1 2.849 0.020 . . . . . . A 7 CYS HB3 . 30089 1 46 . 1 1 8 8 PHE H H 1 8.961 0.020 . . . . . . A 8 PHE H . 30089 1 47 . 1 1 8 8 PHE HA H 1 4.267 0.020 . . . . . . A 8 PHE HA . 30089 1 48 . 1 1 8 8 PHE HB2 H 1 2.848 0.020 . . . . . . A 8 PHE HB2 . 30089 1 49 . 1 1 8 8 PHE HB3 H 1 3.056 0.020 . . . . . . A 8 PHE HB3 . 30089 1 50 . 1 1 8 8 PHE HD1 H 1 7.238 0.020 . . . . . . A 8 PHE HD1 . 30089 1 51 . 1 1 8 8 PHE HD2 H 1 7.228 0.020 . . . . . . A 8 PHE HD2 . 30089 1 52 . 1 1 8 8 PHE HE1 H 1 7.365 0.020 . . . . . . A 8 PHE HE1 . 30089 1 53 . 1 1 8 8 PHE HE2 H 1 7.351 0.020 . . . . . . A 8 PHE HE2 . 30089 1 54 . 1 1 8 8 PHE HZ H 1 7.315 0.020 . . . . . . A 8 PHE HZ . 30089 1 55 . 1 1 9 9 ALA H H 1 7.941 0.020 . . . . . . A 9 ALA H . 30089 1 56 . 1 1 9 9 ALA HA H 1 3.710 0.020 . . . . . . A 9 ALA HA . 30089 1 57 . 1 1 9 9 ALA HB1 H 1 1.076 0.020 . . . . . . A 9 ALA HB1 . 30089 1 58 . 1 1 9 9 ALA HB2 H 1 1.076 0.020 . . . . . . A 9 ALA HB2 . 30089 1 59 . 1 1 9 9 ALA HB3 H 1 1.076 0.020 . . . . . . A 9 ALA HB3 . 30089 1 60 . 1 1 10 10 ASN H H 1 8.004 0.020 . . . . . . A 10 ASN H . 30089 1 61 . 1 1 10 10 ASN HA H 1 3.898 0.020 . . . . . . A 10 ASN HA . 30089 1 62 . 1 1 10 10 ASN HB2 H 1 3.190 0.020 . . . . . . A 10 ASN HB2 . 30089 1 63 . 1 1 10 10 ASN HB3 H 1 3.485 0.020 . . . . . . A 10 ASN HB3 . 30089 1 64 . 1 1 10 10 ASN HD21 H 1 7.584 0.020 . . . . . . A 10 ASN HD21 . 30089 1 65 . 1 1 10 10 ASN HD22 H 1 6.945 0.020 . . . . . . A 10 ASN HD22 . 30089 1 66 . 1 1 11 11 VAL H H 1 8.387 0.020 . . . . . . A 11 VAL H . 30089 1 67 . 1 1 11 11 VAL HA H 1 4.167 0.020 . . . . . . A 11 VAL HA . 30089 1 68 . 1 1 11 11 VAL HB H 1 2.325 0.020 . . . . . . A 11 VAL HB . 30089 1 69 . 1 1 11 11 VAL HG11 H 1 0.898 0.020 . . . . . . A 11 VAL HG11 . 30089 1 70 . 1 1 11 11 VAL HG12 H 1 0.898 0.020 . . . . . . A 11 VAL HG12 . 30089 1 71 . 1 1 11 11 VAL HG13 H 1 0.898 0.020 . . . . . . A 11 VAL HG13 . 30089 1 72 . 1 1 11 11 VAL HG21 H 1 0.991 0.020 . . . . . . A 11 VAL HG21 . 30089 1 73 . 1 1 11 11 VAL HG22 H 1 0.991 0.020 . . . . . . A 11 VAL HG22 . 30089 1 74 . 1 1 11 11 VAL HG23 H 1 0.991 0.020 . . . . . . A 11 VAL HG23 . 30089 1 75 . 1 1 12 12 ASP H H 1 8.932 0.020 . . . . . . A 12 ASP H . 30089 1 76 . 1 1 12 12 ASP HA H 1 4.936 0.020 . . . . . . A 12 ASP HA . 30089 1 77 . 1 1 12 12 ASP HB2 H 1 3.096 0.020 . . . . . . A 12 ASP HB2 . 30089 1 78 . 1 1 12 12 ASP HB3 H 1 2.584 0.020 . . . . . . A 12 ASP HB3 . 30089 1 79 . 1 1 13 13 VAL H H 1 7.824 0.020 . . . . . . A 13 VAL H . 30089 1 80 . 1 1 13 13 VAL HA H 1 3.507 0.020 . . . . . . A 13 VAL HA . 30089 1 81 . 1 1 13 13 VAL HB H 1 2.197 0.020 . . . . . . A 13 VAL HB . 30089 1 82 . 1 1 13 13 VAL HG11 H 1 0.999 0.020 . . . . . . A 13 VAL HG11 . 30089 1 83 . 1 1 13 13 VAL HG12 H 1 0.999 0.020 . . . . . . A 13 VAL HG12 . 30089 1 84 . 1 1 13 13 VAL HG13 H 1 0.999 0.020 . . . . . . A 13 VAL HG13 . 30089 1 85 . 1 1 13 13 VAL HG21 H 1 1.294 0.020 . . . . . . A 13 VAL HG21 . 30089 1 86 . 1 1 13 13 VAL HG22 H 1 1.294 0.020 . . . . . . A 13 VAL HG22 . 30089 1 87 . 1 1 13 13 VAL HG23 H 1 1.294 0.020 . . . . . . A 13 VAL HG23 . 30089 1 88 . 1 1 14 14 LYS H H 1 8.871 0.020 . . . . . . A 14 LYS H . 30089 1 89 . 1 1 14 14 LYS HA H 1 4.602 0.020 . . . . . . A 14 LYS HA . 30089 1 90 . 1 1 14 14 LYS HB2 H 1 2.082 0.020 . . . . . . A 14 LYS HB2 . 30089 1 91 . 1 1 14 14 LYS HB3 H 1 2.082 0.020 . . . . . . A 14 LYS HB3 . 30089 1 92 . 1 1 14 14 LYS HG2 H 1 1.494 0.020 . . . . . . A 14 LYS HG2 . 30089 1 93 . 1 1 14 14 LYS HG3 H 1 1.428 0.020 . . . . . . A 14 LYS HG3 . 30089 1 94 . 1 1 14 14 LYS HD2 H 1 1.815 0.020 . . . . . . A 14 LYS HD2 . 30089 1 95 . 1 1 14 14 LYS HD3 H 1 1.740 0.020 . . . . . . A 14 LYS HD3 . 30089 1 96 . 1 1 14 14 LYS HE2 H 1 3.023 0.020 . . . . . . A 14 LYS HE2 . 30089 1 97 . 1 1 14 14 LYS HE3 H 1 3.023 0.020 . . . . . . A 14 LYS HE3 . 30089 1 98 . 1 1 15 15 GLY H H 1 7.344 0.020 . . . . . . A 15 GLY H . 30089 1 99 . 1 1 15 15 GLY HA2 H 1 4.129 0.020 . . . . . . A 15 GLY HA2 . 30089 1 100 . 1 1 15 15 GLY HA3 H 1 3.707 0.020 . . . . . . A 15 GLY HA3 . 30089 1 101 . 1 1 16 16 ASP H H 1 8.158 0.020 . . . . . . A 16 ASP H . 30089 1 102 . 1 1 16 16 ASP HA H 1 4.588 0.020 . . . . . . A 16 ASP HA . 30089 1 103 . 1 1 16 16 ASP HB2 H 1 3.797 0.020 . . . . . . A 16 ASP HB2 . 30089 1 104 . 1 1 16 16 ASP HB3 H 1 3.797 0.020 . . . . . . A 16 ASP HB3 . 30089 1 105 . 1 1 17 17 CYS H H 1 10.450 0.020 . . . . . . A 17 CYS H . 30089 1 106 . 1 1 17 17 CYS HA H 1 4.579 0.020 . . . . . . A 17 CYS HA . 30089 1 107 . 1 1 17 17 CYS HB2 H 1 2.574 0.020 . . . . . . A 17 CYS HB2 . 30089 1 108 . 1 1 17 17 CYS HB3 H 1 3.144 0.020 . . . . . . A 17 CYS HB3 . 30089 1 109 . 1 1 18 18 LYS H H 1 9.472 0.020 . . . . . . A 18 LYS H . 30089 1 110 . 1 1 18 18 LYS HA H 1 3.727 0.020 . . . . . . A 18 LYS HA . 30089 1 111 . 1 1 18 18 LYS HB2 H 1 1.975 0.020 . . . . . . A 18 LYS HB2 . 30089 1 112 . 1 1 18 18 LYS HB3 H 1 1.804 0.020 . . . . . . A 18 LYS HB3 . 30089 1 113 . 1 1 18 18 LYS HG2 H 1 1.372 0.020 . . . . . . A 18 LYS HG2 . 30089 1 114 . 1 1 18 18 LYS HG3 H 1 1.372 0.020 . . . . . . A 18 LYS HG3 . 30089 1 115 . 1 1 18 18 LYS HD2 H 1 1.612 0.020 . . . . . . A 18 LYS HD2 . 30089 1 116 . 1 1 18 18 LYS HD3 H 1 1.612 0.020 . . . . . . A 18 LYS HD3 . 30089 1 117 . 1 1 18 18 LYS HE2 H 1 3.077 0.020 . . . . . . A 18 LYS HE2 . 30089 1 118 . 1 1 18 18 LYS HE3 H 1 3.077 0.020 . . . . . . A 18 LYS HE3 . 30089 1 119 . 1 1 19 19 ARG H H 1 7.869 0.020 . . . . . . A 19 ARG H . 30089 1 120 . 1 1 19 19 ARG HA H 1 3.943 0.020 . . . . . . A 19 ARG HA . 30089 1 121 . 1 1 19 19 ARG HB2 H 1 1.858 0.020 . . . . . . A 19 ARG HB2 . 30089 1 122 . 1 1 19 19 ARG HB3 H 1 1.930 0.020 . . . . . . A 19 ARG HB3 . 30089 1 123 . 1 1 19 19 ARG HG2 H 1 1.578 0.020 . . . . . . A 19 ARG HG2 . 30089 1 124 . 1 1 19 19 ARG HG3 H 1 1.578 0.020 . . . . . . A 19 ARG HG3 . 30089 1 125 . 1 1 19 19 ARG HD2 H 1 3.303 0.020 . . . . . . A 19 ARG HD2 . 30089 1 126 . 1 1 19 19 ARG HD3 H 1 3.254 0.020 . . . . . . A 19 ARG HD3 . 30089 1 127 . 1 1 19 19 ARG HE H 1 7.309 0.020 . . . . . . A 19 ARG HE . 30089 1 128 . 1 1 20 20 HIS H H 1 8.105 0.020 . . . . . . A 20 HIS H . 30089 1 129 . 1 1 20 20 HIS HA H 1 4.246 0.020 . . . . . . A 20 HIS HA . 30089 1 130 . 1 1 20 20 HIS HB2 H 1 2.914 0.020 . . . . . . A 20 HIS HB2 . 30089 1 131 . 1 1 20 20 HIS HB3 H 1 2.914 0.020 . . . . . . A 20 HIS HB3 . 30089 1 132 . 1 1 20 20 HIS HD1 H 1 8.579 0.020 . . . . . . A 20 HIS HD1 . 30089 1 133 . 1 1 20 20 HIS HD2 H 1 6.482 0.020 . . . . . . A 20 HIS HD2 . 30089 1 134 . 1 1 21 21 CYS H H 1 8.207 0.020 . . . . . . A 21 CYS H . 30089 1 135 . 1 1 21 21 CYS HA H 1 4.009 0.020 . . . . . . A 21 CYS HA . 30089 1 136 . 1 1 21 21 CYS HB2 H 1 2.133 0.020 . . . . . . A 21 CYS HB2 . 30089 1 137 . 1 1 21 21 CYS HB3 H 1 2.333 0.020 . . . . . . A 21 CYS HB3 . 30089 1 138 . 1 1 22 22 LYS H H 1 8.448 0.020 . . . . . . A 22 LYS H . 30089 1 139 . 1 1 22 22 LYS HA H 1 4.106 0.020 . . . . . . A 22 LYS HA . 30089 1 140 . 1 1 22 22 LYS HB2 H 1 2.004 0.020 . . . . . . A 22 LYS HB2 . 30089 1 141 . 1 1 22 22 LYS HB3 H 1 1.961 0.020 . . . . . . A 22 LYS HB3 . 30089 1 142 . 1 1 22 22 LYS HG2 H 1 1.468 0.020 . . . . . . A 22 LYS HG2 . 30089 1 143 . 1 1 22 22 LYS HG3 H 1 1.401 0.020 . . . . . . A 22 LYS HG3 . 30089 1 144 . 1 1 22 22 LYS HD2 H 1 1.718 0.020 . . . . . . A 22 LYS HD2 . 30089 1 145 . 1 1 22 22 LYS HD3 H 1 1.637 0.020 . . . . . . A 22 LYS HD3 . 30089 1 146 . 1 1 22 22 LYS HE2 H 1 2.989 0.020 . . . . . . A 22 LYS HE2 . 30089 1 147 . 1 1 22 22 LYS HE3 H 1 2.989 0.020 . . . . . . A 22 LYS HE3 . 30089 1 148 . 1 1 23 23 ALA H H 1 7.231 0.020 . . . . . . A 23 ALA H . 30089 1 149 . 1 1 23 23 ALA HA H 1 4.253 0.020 . . . . . . A 23 ALA HA . 30089 1 150 . 1 1 23 23 ALA HB1 H 1 1.490 0.020 . . . . . . A 23 ALA HB1 . 30089 1 151 . 1 1 23 23 ALA HB2 H 1 1.490 0.020 . . . . . . A 23 ALA HB2 . 30089 1 152 . 1 1 23 23 ALA HB3 H 1 1.490 0.020 . . . . . . A 23 ALA HB3 . 30089 1 153 . 1 1 24 24 GLU H H 1 7.282 0.020 . . . . . . A 24 GLU H . 30089 1 154 . 1 1 24 24 GLU HA H 1 4.549 0.020 . . . . . . A 24 GLU HA . 30089 1 155 . 1 1 24 24 GLU HB2 H 1 1.918 0.020 . . . . . . A 24 GLU HB2 . 30089 1 156 . 1 1 24 24 GLU HB3 H 1 2.190 0.020 . . . . . . A 24 GLU HB3 . 30089 1 157 . 1 1 24 24 GLU HG2 H 1 2.203 0.020 . . . . . . A 24 GLU HG2 . 30089 1 158 . 1 1 24 24 GLU HG3 H 1 2.317 0.020 . . . . . . A 24 GLU HG3 . 30089 1 159 . 1 1 25 25 ASP H H 1 8.247 0.020 . . . . . . A 25 ASP H . 30089 1 160 . 1 1 25 25 ASP HA H 1 4.333 0.020 . . . . . . A 25 ASP HA . 30089 1 161 . 1 1 25 25 ASP HB2 H 1 2.867 0.020 . . . . . . A 25 ASP HB2 . 30089 1 162 . 1 1 25 25 ASP HB3 H 1 3.299 0.020 . . . . . . A 25 ASP HB3 . 30089 1 163 . 1 1 26 26 LYS H H 1 7.842 0.020 . . . . . . A 26 LYS H . 30089 1 164 . 1 1 26 26 LYS HA H 1 4.799 0.020 . . . . . . A 26 LYS HA . 30089 1 165 . 1 1 26 26 LYS HB2 H 1 1.734 0.020 . . . . . . A 26 LYS HB2 . 30089 1 166 . 1 1 26 26 LYS HB3 H 1 1.734 0.020 . . . . . . A 26 LYS HB3 . 30089 1 167 . 1 1 26 26 LYS HG2 H 1 1.427 0.020 . . . . . . A 26 LYS HG2 . 30089 1 168 . 1 1 26 26 LYS HG3 H 1 1.427 0.020 . . . . . . A 26 LYS HG3 . 30089 1 169 . 1 1 26 26 LYS HD2 H 1 1.101 0.020 . . . . . . A 26 LYS HD2 . 30089 1 170 . 1 1 26 26 LYS HD3 H 1 1.101 0.020 . . . . . . A 26 LYS HD3 . 30089 1 171 . 1 1 26 26 LYS HE2 H 1 2.947 0.020 . . . . . . A 26 LYS HE2 . 30089 1 172 . 1 1 26 26 LYS HE3 H 1 2.947 0.020 . . . . . . A 26 LYS HE3 . 30089 1 173 . 1 1 27 27 GLU H H 1 8.642 0.020 . . . . . . A 27 GLU H . 30089 1 174 . 1 1 27 27 GLU HA H 1 4.266 0.020 . . . . . . A 27 GLU HA . 30089 1 175 . 1 1 27 27 GLU HB2 H 1 1.883 0.020 . . . . . . A 27 GLU HB2 . 30089 1 176 . 1 1 27 27 GLU HB3 H 1 2.024 0.020 . . . . . . A 27 GLU HB3 . 30089 1 177 . 1 1 27 27 GLU HG2 H 1 2.327 0.020 . . . . . . A 27 GLU HG2 . 30089 1 178 . 1 1 27 27 GLU HG3 H 1 2.423 0.020 . . . . . . A 27 GLU HG3 . 30089 1 179 . 1 1 28 28 GLY H H 1 8.318 0.020 . . . . . . A 28 GLY H . 30089 1 180 . 1 1 28 28 GLY HA2 H 1 5.164 0.020 . . . . . . A 28 GLY HA2 . 30089 1 181 . 1 1 28 28 GLY HA3 H 1 3.021 0.020 . . . . . . A 28 GLY HA3 . 30089 1 182 . 1 1 29 29 ILE H H 1 8.627 0.020 . . . . . . A 29 ILE H . 30089 1 183 . 1 1 29 29 ILE HA H 1 4.278 0.020 . . . . . . A 29 ILE HA . 30089 1 184 . 1 1 29 29 ILE HB H 1 1.770 0.020 . . . . . . A 29 ILE HB . 30089 1 185 . 1 1 29 29 ILE HG12 H 1 1.382 0.020 . . . . . . A 29 ILE HG12 . 30089 1 186 . 1 1 29 29 ILE HG13 H 1 1.086 0.020 . . . . . . A 29 ILE HG13 . 30089 1 187 . 1 1 29 29 ILE HG21 H 1 0.814 0.020 . . . . . . A 29 ILE HG21 . 30089 1 188 . 1 1 29 29 ILE HG22 H 1 0.814 0.020 . . . . . . A 29 ILE HG22 . 30089 1 189 . 1 1 29 29 ILE HG23 H 1 0.814 0.020 . . . . . . A 29 ILE HG23 . 30089 1 190 . 1 1 29 29 ILE HD11 H 1 0.691 0.020 . . . . . . A 29 ILE HD11 . 30089 1 191 . 1 1 29 29 ILE HD12 H 1 0.691 0.020 . . . . . . A 29 ILE HD12 . 30089 1 192 . 1 1 29 29 ILE HD13 H 1 0.691 0.020 . . . . . . A 29 ILE HD13 . 30089 1 193 . 1 1 30 30 CYS H H 1 8.951 0.020 . . . . . . A 30 CYS H . 30089 1 194 . 1 1 30 30 CYS HA H 1 5.291 0.020 . . . . . . A 30 CYS HA . 30089 1 195 . 1 1 30 30 CYS HB2 H 1 2.421 0.020 . . . . . . A 30 CYS HB2 . 30089 1 196 . 1 1 30 30 CYS HB3 H 1 2.421 0.020 . . . . . . A 30 CYS HB3 . 30089 1 197 . 1 1 31 31 HIS H H 1 9.488 0.020 . . . . . . A 31 HIS H . 30089 1 198 . 1 1 31 31 HIS HA H 1 4.872 0.020 . . . . . . A 31 HIS HA . 30089 1 199 . 1 1 31 31 HIS HB2 H 1 3.029 0.020 . . . . . . A 31 HIS HB2 . 30089 1 200 . 1 1 31 31 HIS HB3 H 1 3.187 0.020 . . . . . . A 31 HIS HB3 . 30089 1 201 . 1 1 31 31 HIS HD1 H 1 8.659 0.020 . . . . . . A 31 HIS HD1 . 30089 1 202 . 1 1 31 31 HIS HD2 H 1 7.117 0.020 . . . . . . A 31 HIS HD2 . 30089 1 203 . 1 1 32 32 GLY H H 1 9.613 0.020 . . . . . . A 32 GLY H . 30089 1 204 . 1 1 32 32 GLY HA2 H 1 3.388 0.020 . . . . . . A 32 GLY HA2 . 30089 1 205 . 1 1 32 32 GLY HA3 H 1 4.121 0.020 . . . . . . A 32 GLY HA3 . 30089 1 206 . 1 1 33 33 THR H H 1 8.331 0.020 . . . . . . A 33 THR H . 30089 1 207 . 1 1 33 33 THR HA H 1 4.304 0.020 . . . . . . A 33 THR HA . 30089 1 208 . 1 1 33 33 THR HB H 1 4.642 0.020 . . . . . . A 33 THR HB . 30089 1 209 . 1 1 33 33 THR HG21 H 1 1.308 0.020 . . . . . . A 33 THR HG21 . 30089 1 210 . 1 1 33 33 THR HG22 H 1 1.308 0.020 . . . . . . A 33 THR HG22 . 30089 1 211 . 1 1 33 33 THR HG23 H 1 1.308 0.020 . . . . . . A 33 THR HG23 . 30089 1 212 . 1 1 34 34 LYS H H 1 8.030 0.020 . . . . . . A 34 LYS H . 30089 1 213 . 1 1 34 34 LYS HA H 1 4.516 0.020 . . . . . . A 34 LYS HA . 30089 1 214 . 1 1 34 34 LYS HB2 H 1 2.053 0.020 . . . . . . A 34 LYS HB2 . 30089 1 215 . 1 1 34 34 LYS HB3 H 1 1.980 0.020 . . . . . . A 34 LYS HB3 . 30089 1 216 . 1 1 34 34 LYS HG2 H 1 1.498 0.020 . . . . . . A 34 LYS HG2 . 30089 1 217 . 1 1 34 34 LYS HG3 H 1 1.348 0.020 . . . . . . A 34 LYS HG3 . 30089 1 218 . 1 1 34 34 LYS HD2 H 1 1.794 0.020 . . . . . . A 34 LYS HD2 . 30089 1 219 . 1 1 34 34 LYS HD3 H 1 1.649 0.020 . . . . . . A 34 LYS HD3 . 30089 1 220 . 1 1 34 34 LYS HE2 H 1 3.000 0.020 . . . . . . A 34 LYS HE2 . 30089 1 221 . 1 1 34 34 LYS HE3 H 1 3.000 0.020 . . . . . . A 34 LYS HE3 . 30089 1 222 . 1 1 35 35 CYS H H 1 8.774 0.020 . . . . . . A 35 CYS H . 30089 1 223 . 1 1 35 35 CYS HA H 1 5.020 0.020 . . . . . . A 35 CYS HA . 30089 1 224 . 1 1 35 35 CYS HB2 H 1 3.222 0.020 . . . . . . A 35 CYS HB2 . 30089 1 225 . 1 1 35 35 CYS HB3 H 1 2.764 0.020 . . . . . . A 35 CYS HB3 . 30089 1 226 . 1 1 36 36 LYS H H 1 9.141 0.020 . . . . . . A 36 LYS H . 30089 1 227 . 1 1 36 36 LYS HA H 1 4.734 0.020 . . . . . . A 36 LYS HA . 30089 1 228 . 1 1 36 36 LYS HB2 H 1 1.863 0.020 . . . . . . A 36 LYS HB2 . 30089 1 229 . 1 1 36 36 LYS HB3 H 1 1.693 0.020 . . . . . . A 36 LYS HB3 . 30089 1 230 . 1 1 36 36 LYS HG2 H 1 1.322 0.020 . . . . . . A 36 LYS HG2 . 30089 1 231 . 1 1 36 36 LYS HG3 H 1 1.322 0.020 . . . . . . A 36 LYS HG3 . 30089 1 232 . 1 1 36 36 LYS HD2 H 1 1.576 0.020 . . . . . . A 36 LYS HD2 . 30089 1 233 . 1 1 36 36 LYS HD3 H 1 1.576 0.020 . . . . . . A 36 LYS HD3 . 30089 1 234 . 1 1 36 36 LYS HE2 H 1 2.918 0.020 . . . . . . A 36 LYS HE2 . 30089 1 235 . 1 1 36 36 LYS HE3 H 1 2.918 0.020 . . . . . . A 36 LYS HE3 . 30089 1 236 . 1 1 37 37 CYS H H 1 8.962 0.020 . . . . . . A 37 CYS H . 30089 1 237 . 1 1 37 37 CYS HA H 1 5.550 0.020 . . . . . . A 37 CYS HA . 30089 1 238 . 1 1 37 37 CYS HB2 H 1 2.723 0.020 . . . . . . A 37 CYS HB2 . 30089 1 239 . 1 1 37 37 CYS HB3 H 1 2.766 0.020 . . . . . . A 37 CYS HB3 . 30089 1 240 . 1 1 38 38 GLY H H 1 8.916 0.020 . . . . . . A 38 GLY H . 30089 1 241 . 1 1 38 38 GLY HA2 H 1 4.328 0.020 . . . . . . A 38 GLY HA2 . 30089 1 242 . 1 1 38 38 GLY HA3 H 1 3.838 0.020 . . . . . . A 38 GLY HA3 . 30089 1 243 . 1 1 39 39 VAL H H 1 8.114 0.020 . . . . . . A 39 VAL H . 30089 1 244 . 1 1 39 39 VAL HA H 1 4.351 0.020 . . . . . . A 39 VAL HA . 30089 1 245 . 1 1 39 39 VAL HB H 1 2.158 0.020 . . . . . . A 39 VAL HB . 30089 1 246 . 1 1 39 39 VAL HG11 H 1 1.015 0.020 . . . . . . A 39 VAL HG11 . 30089 1 247 . 1 1 39 39 VAL HG12 H 1 1.015 0.020 . . . . . . A 39 VAL HG12 . 30089 1 248 . 1 1 39 39 VAL HG13 H 1 1.015 0.020 . . . . . . A 39 VAL HG13 . 30089 1 249 . 1 1 39 39 VAL HG21 H 1 0.922 0.020 . . . . . . A 39 VAL HG21 . 30089 1 250 . 1 1 39 39 VAL HG22 H 1 0.922 0.020 . . . . . . A 39 VAL HG22 . 30089 1 251 . 1 1 39 39 VAL HG23 H 1 0.922 0.020 . . . . . . A 39 VAL HG23 . 30089 1 252 . 1 1 40 40 PRO HA H 1 4.655 0.020 . . . . . . A 40 PRO HA . 30089 1 253 . 1 1 40 40 PRO HB2 H 1 2.312 0.020 . . . . . . A 40 PRO HB2 . 30089 1 254 . 1 1 40 40 PRO HB3 H 1 1.781 0.020 . . . . . . A 40 PRO HB3 . 30089 1 255 . 1 1 40 40 PRO HG2 H 1 2.035 0.020 . . . . . . A 40 PRO HG2 . 30089 1 256 . 1 1 40 40 PRO HG3 H 1 1.903 0.020 . . . . . . A 40 PRO HG3 . 30089 1 257 . 1 1 40 40 PRO HD2 H 1 3.607 0.020 . . . . . . A 40 PRO HD2 . 30089 1 258 . 1 1 40 40 PRO HD3 H 1 3.868 0.020 . . . . . . A 40 PRO HD3 . 30089 1 259 . 1 1 41 41 ILE H H 1 7.823 0.020 . . . . . . A 41 ILE H . 30089 1 260 . 1 1 41 41 ILE HA H 1 3.958 0.020 . . . . . . A 41 ILE HA . 30089 1 261 . 1 1 41 41 ILE HB H 1 1.624 0.020 . . . . . . A 41 ILE HB . 30089 1 262 . 1 1 41 41 ILE HG12 H 1 1.297 0.020 . . . . . . A 41 ILE HG12 . 30089 1 263 . 1 1 41 41 ILE HG13 H 1 0.941 0.020 . . . . . . A 41 ILE HG13 . 30089 1 264 . 1 1 41 41 ILE HG21 H 1 0.765 0.020 . . . . . . A 41 ILE HG21 . 30089 1 265 . 1 1 41 41 ILE HG22 H 1 0.765 0.020 . . . . . . A 41 ILE HG22 . 30089 1 266 . 1 1 41 41 ILE HG23 H 1 0.765 0.020 . . . . . . A 41 ILE HG23 . 30089 1 267 . 1 1 41 41 ILE HD11 H 1 0.711 0.020 . . . . . . A 41 ILE HD11 . 30089 1 268 . 1 1 41 41 ILE HD12 H 1 0.711 0.020 . . . . . . A 41 ILE HD12 . 30089 1 269 . 1 1 41 41 ILE HD13 H 1 0.711 0.020 . . . . . . A 41 ILE HD13 . 30089 1 270 . 1 1 42 42 SER H H 1 8.138 0.020 . . . . . . A 42 SER H . 30089 1 271 . 1 1 42 42 SER HA H 1 4.415 0.020 . . . . . . A 42 SER HA . 30089 1 272 . 1 1 42 42 SER HB2 H 1 3.780 0.020 . . . . . . A 42 SER HB2 . 30089 1 273 . 1 1 42 42 SER HB3 H 1 3.752 0.020 . . . . . . A 42 SER HB3 . 30089 1 274 . 1 1 43 43 TYR H H 1 8.197 0.020 . . . . . . A 43 TYR H . 30089 1 275 . 1 1 43 43 TYR HA H 1 4.604 0.020 . . . . . . A 43 TYR HA . 30089 1 276 . 1 1 43 43 TYR HB2 H 1 2.934 0.020 . . . . . . A 43 TYR HB2 . 30089 1 277 . 1 1 43 43 TYR HB3 H 1 3.055 0.020 . . . . . . A 43 TYR HB3 . 30089 1 278 . 1 1 43 43 TYR HD1 H 1 7.114 0.020 . . . . . . A 43 TYR HD1 . 30089 1 279 . 1 1 43 43 TYR HD2 H 1 7.101 0.020 . . . . . . A 43 TYR HD2 . 30089 1 280 . 1 1 43 43 TYR HE1 H 1 6.820 0.020 . . . . . . A 43 TYR HE1 . 30089 1 281 . 1 1 43 43 TYR HE2 H 1 6.796 0.020 . . . . . . A 43 TYR HE2 . 30089 1 282 . 1 1 44 44 LEU H H 1 7.939 0.020 . . . . . . A 44 LEU H . 30089 1 283 . 1 1 44 44 LEU HA H 1 4.311 0.020 . . . . . . A 44 LEU HA . 30089 1 284 . 1 1 44 44 LEU HB2 H 1 1.617 0.020 . . . . . . A 44 LEU HB2 . 30089 1 285 . 1 1 44 44 LEU HB3 H 1 1.617 0.020 . . . . . . A 44 LEU HB3 . 30089 1 286 . 1 1 44 44 LEU HG H 1 1.533 0.020 . . . . . . A 44 LEU HG . 30089 1 287 . 1 1 44 44 LEU HD11 H 1 0.849 0.020 . . . . . . A 44 LEU HD11 . 30089 1 288 . 1 1 44 44 LEU HD12 H 1 0.849 0.020 . . . . . . A 44 LEU HD12 . 30089 1 289 . 1 1 44 44 LEU HD13 H 1 0.849 0.020 . . . . . . A 44 LEU HD13 . 30089 1 290 . 1 1 44 44 LEU HD21 H 1 0.849 0.020 . . . . . . A 44 LEU HD21 . 30089 1 291 . 1 1 44 44 LEU HD22 H 1 0.849 0.020 . . . . . . A 44 LEU HD22 . 30089 1 292 . 1 1 44 44 LEU HD23 H 1 0.849 0.020 . . . . . . A 44 LEU HD23 . 30089 1 stop_ save_