################################### # 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 30847 _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 NOESY' . . . 30847 1 2 '2D 1H-1H TOCSY' . . . 30847 1 3 '2D 1H-1H NOESY' . . . 30847 1 4 '2D 1H-1H TOCSY' . . . 30847 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 2 2 ALA H H 1 8.646 0.000 . . . . . . A 2 ALA H . 30847 1 2 . 1 . 1 2 2 ALA HA H 1 4.387 0.000 . . . . . . A 2 ALA HA . 30847 1 3 . 1 . 1 2 2 ALA HB1 H 1 1.403 0.000 . . . . . . A 2 ALA HB1 . 30847 1 4 . 1 . 1 2 2 ALA HB2 H 1 1.403 0.000 . . . . . . A 2 ALA HB2 . 30847 1 5 . 1 . 1 2 2 ALA HB3 H 1 1.403 0.000 . . . . . . A 2 ALA HB3 . 30847 1 6 . 1 . 1 3 3 GLY H H 1 8.411 0.000 . . . . . . A 3 GLY H . 30847 1 7 . 1 . 1 3 3 GLY HA2 H 1 3.946 0.000 . . . . . . A 3 GLY HA2 . 30847 1 8 . 1 . 1 3 3 GLY HA3 H 1 3.946 0.000 . . . . . . A 3 GLY HA3 . 30847 1 9 . 1 . 1 4 4 VAL H H 1 7.935 0.000 . . . . . . A 4 VAL H . 30847 1 10 . 1 . 1 4 4 VAL HA H 1 4.107 0.000 . . . . . . A 4 VAL HA . 30847 1 11 . 1 . 1 4 4 VAL HB H 1 2.036 0.000 . . . . . . A 4 VAL HB . 30847 1 12 . 1 . 1 4 4 VAL HG11 H 1 0.903 0.000 . . . . . . A 4 VAL HG11 . 30847 1 13 . 1 . 1 4 4 VAL HG12 H 1 0.903 0.000 . . . . . . A 4 VAL HG12 . 30847 1 14 . 1 . 1 4 4 VAL HG13 H 1 0.903 0.000 . . . . . . A 4 VAL HG13 . 30847 1 15 . 1 . 1 4 4 VAL HG21 H 1 0.903 0.000 . . . . . . A 4 VAL HG21 . 30847 1 16 . 1 . 1 4 4 VAL HG22 H 1 0.903 0.000 . . . . . . A 4 VAL HG22 . 30847 1 17 . 1 . 1 4 4 VAL HG23 H 1 0.903 0.000 . . . . . . A 4 VAL HG23 . 30847 1 18 . 1 . 1 5 5 ALA H H 1 8.409 0.000 . . . . . . A 5 ALA H . 30847 1 19 . 1 . 1 5 5 ALA HA H 1 4.283 0.000 . . . . . . A 5 ALA HA . 30847 1 20 . 1 . 1 5 5 ALA HB1 H 1 1.344 0.000 . . . . . . A 5 ALA HB1 . 30847 1 21 . 1 . 1 5 5 ALA HB2 H 1 1.344 0.000 . . . . . . A 5 ALA HB2 . 30847 1 22 . 1 . 1 5 5 ALA HB3 H 1 1.344 0.000 . . . . . . A 5 ALA HB3 . 30847 1 23 . 1 . 1 6 6 ASP H H 1 8.322 0.000 . . . . . . A 6 ASP H . 30847 1 24 . 1 . 1 6 6 ASP HA H 1 4.672 0.000 . . . . . . A 6 ASP HA . 30847 1 25 . 1 . 1 6 6 ASP HB2 H 1 2.805 0.000 . . . . . . A 6 ASP HB2 . 30847 1 26 . 1 . 1 6 6 ASP HB3 H 1 2.925 0.000 . . . . . . A 6 ASP HB3 . 30847 1 27 . 1 . 1 7 7 LEU H H 1 8.162 0.000 . . . . . . A 7 LEU H . 30847 1 28 . 1 . 1 7 7 LEU HA H 1 4.252 0.000 . . . . . . A 7 LEU HA . 30847 1 29 . 1 . 1 7 7 LEU HB2 H 1 1.585 0.000 . . . . . . A 7 LEU HB2 . 30847 1 30 . 1 . 1 7 7 LEU HB3 H 1 1.585 0.000 . . . . . . A 7 LEU HB3 . 30847 1 31 . 1 . 1 7 7 LEU HD11 H 1 0.823 0.000 . . . . . . A 7 LEU HD11 . 30847 1 32 . 1 . 1 7 7 LEU HD12 H 1 0.823 0.000 . . . . . . A 7 LEU HD12 . 30847 1 33 . 1 . 1 7 7 LEU HD13 H 1 0.823 0.000 . . . . . . A 7 LEU HD13 . 30847 1 34 . 1 . 1 7 7 LEU HD21 H 1 0.901 0.000 . . . . . . A 7 LEU HD21 . 30847 1 35 . 1 . 1 7 7 LEU HD22 H 1 0.901 0.000 . . . . . . A 7 LEU HD22 . 30847 1 36 . 1 . 1 7 7 LEU HD23 H 1 0.901 0.000 . . . . . . A 7 LEU HD23 . 30847 1 37 . 1 . 1 8 8 ASN H H 1 8.243 0.000 . . . . . . A 8 ASN H . 30847 1 38 . 1 . 1 8 8 ASN HA H 1 4.618 0.000 . . . . . . A 8 ASN HA . 30847 1 39 . 1 . 1 8 8 ASN HB2 H 1 2.731 0.000 . . . . . . A 8 ASN HB2 . 30847 1 40 . 1 . 1 8 8 ASN HB3 H 1 2.809 0.000 . . . . . . A 8 ASN HB3 . 30847 1 41 . 1 . 1 8 8 ASN HD21 H 1 6.871 0.000 . . . . . . A 8 ASN HD21 . 30847 1 42 . 1 . 1 8 8 ASN HD22 H 1 7.568 0.000 . . . . . . A 8 ASN HD22 . 30847 1 43 . 1 . 1 9 9 ASN H H 1 8.080 0.000 . . . . . . A 9 ASN H . 30847 1 44 . 1 . 1 9 9 ASN HA H 1 4.562 0.000 . . . . . . A 9 ASN HA . 30847 1 45 . 1 . 1 9 9 ASN HB2 H 1 2.665 0.000 . . . . . . A 9 ASN HB2 . 30847 1 46 . 1 . 1 9 9 ASN HB3 H 1 2.711 0.000 . . . . . . A 9 ASN HB3 . 30847 1 47 . 1 . 1 10 10 MET H H 1 8.190 0.000 . . . . . . A 10 MET H . 30847 1 48 . 1 . 1 10 10 MET HA H 1 4.301 0.000 . . . . . . A 10 MET HA . 30847 1 49 . 1 . 1 10 10 MET HB2 H 1 1.811 0.000 . . . . . . A 10 MET HB2 . 30847 1 50 . 1 . 1 10 10 MET HB3 H 1 2.400 0.000 . . . . . . A 10 MET HB3 . 30847 1 51 . 1 . 1 10 10 MET HG2 H 1 2.518 0.000 . . . . . . A 10 MET HG2 . 30847 1 52 . 1 . 1 10 10 MET HG3 H 1 2.518 0.000 . . . . . . A 10 MET HG3 . 30847 1 53 . 1 . 1 10 10 MET HE1 H 1 1.952 0.000 . . . . . . A 10 MET HE1 . 30847 1 54 . 1 . 1 10 10 MET HE2 H 1 1.952 0.000 . . . . . . A 10 MET HE2 . 30847 1 55 . 1 . 1 10 10 MET HE3 H 1 1.952 0.000 . . . . . . A 10 MET HE3 . 30847 1 56 . 1 . 1 11 11 SER H H 1 8.607 0.000 . . . . . . A 11 SER H . 30847 1 57 . 1 . 1 11 11 SER HA H 1 4.046 0.000 . . . . . . A 11 SER HA . 30847 1 58 . 1 . 1 11 11 SER HB2 H 1 3.881 0.000 . . . . . . A 11 SER HB2 . 30847 1 59 . 1 . 1 11 11 SER HB3 H 1 3.881 0.000 . . . . . . A 11 SER HB3 . 30847 1 60 . 1 . 1 15 15 CYS H H 1 7.983 0.000 . . . . . . A 15 CYS H . 30847 1 61 . 1 . 1 15 15 CYS HA H 1 4.532 0.000 . . . . . . A 15 CYS HA . 30847 1 62 . 1 . 1 15 15 CYS HB2 H 1 2.692 0.000 . . . . . . A 15 CYS HB2 . 30847 1 63 . 1 . 1 15 15 CYS HB3 H 1 3.450 0.000 . . . . . . A 15 CYS HB3 . 30847 1 64 . 1 . 1 17 17 PHE H H 1 7.230 0.000 . . . . . . A 17 PHE H . 30847 1 65 . 1 . 1 17 17 PHE HA H 1 4.273 0.000 . . . . . . A 17 PHE HA . 30847 1 66 . 1 . 1 17 17 PHE HB2 H 1 3.027 0.000 . . . . . . A 17 PHE HB2 . 30847 1 67 . 1 . 1 17 17 PHE HB3 H 1 3.441 0.000 . . . . . . A 17 PHE HB3 . 30847 1 68 . 1 . 1 17 17 PHE HD1 H 1 7.326 0.000 . . . . . . A 17 PHE HD1 . 30847 1 69 . 1 . 1 17 17 PHE HD2 H 1 7.326 0.000 . . . . . . A 17 PHE HD2 . 30847 1 70 . 1 . 1 17 17 PHE HE1 H 1 7.455 0.000 . . . . . . A 17 PHE HE1 . 30847 1 71 . 1 . 1 17 17 PHE HE2 H 1 7.455 0.000 . . . . . . A 17 PHE HE2 . 30847 1 72 . 1 . 1 17 17 PHE HZ H 1 7.382 0.000 . . . . . . A 17 PHE HZ . 30847 1 73 . 1 . 1 18 18 ILE H H 1 7.896 0.000 . . . . . . A 18 ILE H . 30847 1 74 . 1 . 1 18 18 ILE HA H 1 4.300 0.000 . . . . . . A 18 ILE HA . 30847 1 75 . 1 . 1 18 18 ILE HB H 1 1.789 0.000 . . . . . . A 18 ILE HB . 30847 1 76 . 1 . 1 18 18 ILE HG12 H 1 1.566 0.000 . . . . . . A 18 ILE HG12 . 30847 1 77 . 1 . 1 18 18 ILE HG13 H 1 1.566 0.000 . . . . . . A 18 ILE HG13 . 30847 1 78 . 1 . 1 18 18 ILE HG21 H 1 1.107 0.000 . . . . . . A 18 ILE HG21 . 30847 1 79 . 1 . 1 18 18 ILE HG22 H 1 1.107 0.000 . . . . . . A 18 ILE HG22 . 30847 1 80 . 1 . 1 18 18 ILE HG23 H 1 1.107 0.000 . . . . . . A 18 ILE HG23 . 30847 1 81 . 1 . 1 18 18 ILE HD11 H 1 0.870 0.000 . . . . . . A 18 ILE HD11 . 30847 1 82 . 1 . 1 18 18 ILE HD12 H 1 0.870 0.000 . . . . . . A 18 ILE HD12 . 30847 1 83 . 1 . 1 18 18 ILE HD13 H 1 0.870 0.000 . . . . . . A 18 ILE HD13 . 30847 1 84 . 1 . 1 19 19 GLU H H 1 8.391 0.000 . . . . . . A 19 GLU H . 30847 1 85 . 1 . 1 19 19 GLU HA H 1 4.454 0.002 . . . . . . A 19 GLU HA . 30847 1 86 . 1 . 1 19 19 GLU HB2 H 1 1.842 0.000 . . . . . . A 19 GLU HB2 . 30847 1 87 . 1 . 1 19 19 GLU HB3 H 1 1.979 0.000 . . . . . . A 19 GLU HB3 . 30847 1 88 . 1 . 1 19 19 GLU HG2 H 1 2.131 0.000 . . . . . . A 19 GLU HG2 . 30847 1 89 . 1 . 1 19 19 GLU HG3 H 1 2.454 0.000 . . . . . . A 19 GLU HG3 . 30847 1 90 . 1 . 1 20 20 LYS H H 1 7.464 0.000 . . . . . . A 20 LYS H . 30847 1 91 . 1 . 1 20 20 LYS HA H 1 3.881 0.000 . . . . . . A 20 LYS HA . 30847 1 92 . 1 . 1 20 20 LYS HB2 H 1 2.461 0.000 . . . . . . A 20 LYS HB2 . 30847 1 93 . 1 . 1 20 20 LYS HB3 H 1 2.461 0.000 . . . . . . A 20 LYS HB3 . 30847 1 94 . 1 . 1 20 20 LYS HG2 H 1 0.717 0.000 . . . . . . A 20 LYS HG2 . 30847 1 95 . 1 . 1 20 20 LYS HG3 H 1 0.717 0.000 . . . . . . A 20 LYS HG3 . 30847 1 96 . 1 . 1 20 20 LYS HD2 H 1 1.174 0.000 . . . . . . A 20 LYS HD2 . 30847 1 97 . 1 . 1 20 20 LYS HD3 H 1 1.174 0.000 . . . . . . A 20 LYS HD3 . 30847 1 98 . 1 . 1 21 21 TRP H H 1 7.075 0.000 . . . . . . A 21 TRP H . 30847 1 99 . 1 . 1 21 21 TRP HA H 1 4.802 0.002 . . . . . . A 21 TRP HA . 30847 1 100 . 1 . 1 21 21 TRP HB2 H 1 3.396 0.000 . . . . . . A 21 TRP HB2 . 30847 1 101 . 1 . 1 21 21 TRP HB3 H 1 3.517 0.000 . . . . . . A 21 TRP HB3 . 30847 1 102 . 1 . 1 21 21 TRP HD1 H 1 7.205 0.000 . . . . . . A 21 TRP HD1 . 30847 1 103 . 1 . 1 21 21 TRP HE1 H 1 10.323 0.000 . . . . . . A 21 TRP HE1 . 30847 1 104 . 1 . 1 21 21 TRP HE3 H 1 7.487 0.000 . . . . . . A 21 TRP HE3 . 30847 1 105 . 1 . 1 21 21 TRP HZ2 H 1 7.584 0.000 . . . . . . A 21 TRP HZ2 . 30847 1 106 . 1 . 1 21 21 TRP HZ3 H 1 7.092 0.000 . . . . . . A 21 TRP HZ3 . 30847 1 107 . 1 . 1 21 21 TRP HH2 H 1 7.209 0.000 . . . . . . A 21 TRP HH2 . 30847 1 108 . 1 . 1 22 22 CYS H H 1 9.425 0.000 . . . . . . A 22 CYS H . 30847 1 109 . 1 . 1 22 22 CYS HA H 1 4.636 0.002 . . . . . . A 22 CYS HA . 30847 1 110 . 1 . 1 22 22 CYS HB2 H 1 2.739 0.000 . . . . . . A 22 CYS HB2 . 30847 1 111 . 1 . 1 22 22 CYS HB3 H 1 3.281 0.000 . . . . . . A 22 CYS HB3 . 30847 1 112 . 1 . 1 24 24 ASP H H 1 8.395 0.003 . . . . . . A 24 ASP H . 30847 1 113 . 1 . 1 24 24 ASP HA H 1 4.677 0.000 . . . . . . A 24 ASP HA . 30847 1 114 . 1 . 1 24 24 ASP HB2 H 1 2.814 0.000 . . . . . . A 24 ASP HB2 . 30847 1 115 . 1 . 1 24 24 ASP HB3 H 1 2.914 0.000 . . . . . . A 24 ASP HB3 . 30847 1 116 . 1 . 1 25 25 HIS H H 1 8.483 0.001 . . . . . . A 25 HIS H . 30847 1 117 . 1 . 1 25 25 HIS HA H 1 4.467 0.000 . . . . . . A 25 HIS HA . 30847 1 118 . 1 . 1 25 25 HIS HB2 H 1 3.341 0.002 . . . . . . A 25 HIS HB2 . 30847 1 119 . 1 . 1 25 25 HIS HB3 H 1 3.562 0.000 . . . . . . A 25 HIS HB3 . 30847 1 120 . 1 . 1 25 25 HIS HD2 H 1 8.730 0.000 . . . . . . A 25 HIS HD2 . 30847 1 121 . 1 . 1 25 25 HIS HE1 H 1 7.014 0.000 . . . . . . A 25 HIS HE1 . 30847 1 122 . 1 . 1 26 26 CYS H H 1 8.453 0.000 . . . . . . A 26 CYS H . 30847 1 123 . 1 . 1 26 26 CYS HA H 1 4.153 0.000 . . . . . . A 26 CYS HA . 30847 1 124 . 1 . 1 26 26 CYS HB2 H 1 2.406 0.000 . . . . . . A 26 CYS HB2 . 30847 1 125 . 1 . 1 26 26 CYS HB3 H 1 3.338 0.000 . . . . . . A 26 CYS HB3 . 30847 1 126 . 1 . 1 27 27 GLU H H 1 8.779 0.000 . . . . . . A 27 GLU H . 30847 1 127 . 1 . 1 27 27 GLU HA H 1 4.439 0.000 . . . . . . A 27 GLU HA . 30847 1 128 . 1 . 1 27 27 GLU HB2 H 1 2.256 0.000 . . . . . . A 27 GLU HB2 . 30847 1 129 . 1 . 1 27 27 GLU HB3 H 1 2.256 0.000 . . . . . . A 27 GLU HB3 . 30847 1 130 . 1 . 1 27 27 GLU HG2 H 1 2.403 0.000 . . . . . . A 27 GLU HG2 . 30847 1 131 . 1 . 1 27 27 GLU HG3 H 1 2.686 0.000 . . . . . . A 27 GLU HG3 . 30847 1 132 . 1 . 1 28 28 SER H H 1 7.781 0.000 . . . . . . A 28 SER H . 30847 1 133 . 1 . 1 28 28 SER HA H 1 4.352 0.000 . . . . . . A 28 SER HA . 30847 1 134 . 1 . 1 28 28 SER HB2 H 1 4.031 0.001 . . . . . . A 28 SER HB2 . 30847 1 135 . 1 . 1 28 28 SER HB3 H 1 4.031 0.001 . . . . . . A 28 SER HB3 . 30847 1 136 . 1 . 1 29 29 LYS H H 1 7.347 0.000 . . . . . . A 29 LYS H . 30847 1 137 . 1 . 1 29 29 LYS HA H 1 4.548 0.000 . . . . . . A 29 LYS HA . 30847 1 138 . 1 . 1 29 29 LYS HB2 H 1 1.677 0.001 . . . . . . A 29 LYS HB2 . 30847 1 139 . 1 . 1 29 29 LYS HB3 H 1 1.965 0.000 . . . . . . A 29 LYS HB3 . 30847 1 140 . 1 . 1 29 29 LYS HG2 H 1 1.304 0.000 . . . . . . A 29 LYS HG2 . 30847 1 141 . 1 . 1 29 29 LYS HG3 H 1 1.304 0.000 . . . . . . A 29 LYS HG3 . 30847 1 142 . 1 . 1 29 29 LYS HD2 H 1 1.529 0.000 . . . . . . A 29 LYS HD2 . 30847 1 143 . 1 . 1 29 29 LYS HD3 H 1 1.529 0.000 . . . . . . A 29 LYS HD3 . 30847 1 144 . 1 . 1 29 29 LYS HE2 H 1 2.768 0.000 . . . . . . A 29 LYS HE2 . 30847 1 145 . 1 . 1 29 29 LYS HE3 H 1 2.899 0.000 . . . . . . A 29 LYS HE3 . 30847 1 146 . 1 . 1 30 30 LYS H H 1 8.051 0.000 . . . . . . A 30 LYS H . 30847 1 147 . 1 . 1 30 30 LYS HA H 1 3.959 0.000 . . . . . . A 30 LYS HA . 30847 1 148 . 1 . 1 30 30 LYS HB2 H 1 2.006 0.000 . . . . . . A 30 LYS HB2 . 30847 1 149 . 1 . 1 30 30 LYS HB3 H 1 2.092 0.000 . . . . . . A 30 LYS HB3 . 30847 1 150 . 1 . 1 30 30 LYS HG2 H 1 1.381 0.001 . . . . . . A 30 LYS HG2 . 30847 1 151 . 1 . 1 30 30 LYS HG3 H 1 1.381 0.001 . . . . . . A 30 LYS HG3 . 30847 1 152 . 1 . 1 30 30 LYS HD2 H 1 1.688 0.000 . . . . . . A 30 LYS HD2 . 30847 1 153 . 1 . 1 30 30 LYS HD3 H 1 1.688 0.000 . . . . . . A 30 LYS HD3 . 30847 1 154 . 1 . 1 31 31 GLN H H 1 7.665 0.000 . . . . . . A 31 GLN H . 30847 1 155 . 1 . 1 31 31 GLN HA H 1 4.602 0.000 . . . . . . A 31 GLN HA . 30847 1 156 . 1 . 1 31 31 GLN HB2 H 1 1.482 0.000 . . . . . . A 31 GLN HB2 . 30847 1 157 . 1 . 1 31 31 GLN HB3 H 1 2.045 0.000 . . . . . . A 31 GLN HB3 . 30847 1 158 . 1 . 1 31 31 GLN HG2 H 1 2.123 0.000 . . . . . . A 31 GLN HG2 . 30847 1 159 . 1 . 1 31 31 GLN HG3 H 1 2.318 0.000 . . . . . . A 31 GLN HG3 . 30847 1 160 . 1 . 1 31 31 GLN HE21 H 1 6.496 0.000 . . . . . . A 31 GLN HE21 . 30847 1 161 . 1 . 1 31 31 GLN HE22 H 1 6.964 0.000 . . . . . . A 31 GLN HE22 . 30847 1 162 . 1 . 1 32 32 VAL H H 1 8.564 0.000 . . . . . . A 32 VAL H . 30847 1 163 . 1 . 1 32 32 VAL HA H 1 4.450 0.000 . . . . . . A 32 VAL HA . 30847 1 164 . 1 . 1 32 32 VAL HB H 1 1.987 0.000 . . . . . . A 32 VAL HB . 30847 1 165 . 1 . 1 32 32 VAL HG11 H 1 0.896 0.000 . . . . . . A 32 VAL HG11 . 30847 1 166 . 1 . 1 32 32 VAL HG12 H 1 0.896 0.000 . . . . . . A 32 VAL HG12 . 30847 1 167 . 1 . 1 32 32 VAL HG13 H 1 0.896 0.000 . . . . . . A 32 VAL HG13 . 30847 1 168 . 1 . 1 32 32 VAL HG21 H 1 0.896 0.000 . . . . . . A 32 VAL HG21 . 30847 1 169 . 1 . 1 32 32 VAL HG22 H 1 0.896 0.000 . . . . . . A 32 VAL HG22 . 30847 1 170 . 1 . 1 32 32 VAL HG23 H 1 0.896 0.000 . . . . . . A 32 VAL HG23 . 30847 1 171 . 1 . 1 33 33 GLY H H 1 8.660 0.000 . . . . . . A 33 GLY H . 30847 1 172 . 1 . 1 33 33 GLY HA2 H 1 3.358 0.000 . . . . . . A 33 GLY HA2 . 30847 1 173 . 1 . 1 33 33 GLY HA3 H 1 5.297 0.000 . . . . . . A 33 GLY HA3 . 30847 1 174 . 1 . 1 34 34 LYS H H 1 8.793 0.000 . . . . . . A 34 LYS H . 30847 1 175 . 1 . 1 34 34 LYS HA H 1 4.553 0.000 . . . . . . A 34 LYS HA . 30847 1 176 . 1 . 1 34 34 LYS HB2 H 1 1.683 0.000 . . . . . . A 34 LYS HB2 . 30847 1 177 . 1 . 1 34 34 LYS HB3 H 1 1.782 0.000 . . . . . . A 34 LYS HB3 . 30847 1 178 . 1 . 1 34 34 LYS HG2 H 1 1.307 0.000 . . . . . . A 34 LYS HG2 . 30847 1 179 . 1 . 1 34 34 LYS HG3 H 1 1.307 0.000 . . . . . . A 34 LYS HG3 . 30847 1 180 . 1 . 1 34 34 LYS HD2 H 1 1.615 0.000 . . . . . . A 34 LYS HD2 . 30847 1 181 . 1 . 1 34 34 LYS HD3 H 1 1.615 0.000 . . . . . . A 34 LYS HD3 . 30847 1 182 . 1 . 1 34 34 LYS HE2 H 1 2.894 0.000 . . . . . . A 34 LYS HE2 . 30847 1 183 . 1 . 1 34 34 LYS HE3 H 1 2.894 0.000 . . . . . . A 34 LYS HE3 . 30847 1 184 . 1 . 1 35 35 CYS H H 1 8.803 0.000 . . . . . . A 35 CYS H . 30847 1 185 . 1 . 1 35 35 CYS HA H 1 5.231 0.000 . . . . . . A 35 CYS HA . 30847 1 186 . 1 . 1 35 35 CYS HB2 H 1 2.866 0.000 . . . . . . A 35 CYS HB2 . 30847 1 187 . 1 . 1 35 35 CYS HB3 H 1 3.022 0.000 . . . . . . A 35 CYS HB3 . 30847 1 188 . 1 . 1 36 36 GLU H H 1 9.206 0.000 . . . . . . A 36 GLU H . 30847 1 189 . 1 . 1 36 36 GLU HA H 1 4.477 0.000 . . . . . . A 36 GLU HA . 30847 1 190 . 1 . 1 36 36 GLU HB2 H 1 1.831 0.000 . . . . . . A 36 GLU HB2 . 30847 1 191 . 1 . 1 36 36 GLU HB3 H 1 1.942 0.000 . . . . . . A 36 GLU HB3 . 30847 1 192 . 1 . 1 36 36 GLU HG2 H 1 2.320 0.000 . . . . . . A 36 GLU HG2 . 30847 1 193 . 1 . 1 36 36 GLU HG3 H 1 2.362 0.000 . . . . . . A 36 GLU HG3 . 30847 1 194 . 1 . 1 37 37 ASN H H 1 9.011 0.000 . . . . . . A 37 ASN H . 30847 1 195 . 1 . 1 37 37 ASN HA H 1 3.716 0.000 . . . . . . A 37 ASN HA . 30847 1 196 . 1 . 1 37 37 ASN HB2 H 1 2.873 0.000 . . . . . . A 37 ASN HB2 . 30847 1 197 . 1 . 1 37 37 ASN HB3 H 1 2.904 0.000 . . . . . . A 37 ASN HB3 . 30847 1 198 . 1 . 1 37 37 ASN HD21 H 1 6.775 0.000 . . . . . . A 37 ASN HD21 . 30847 1 199 . 1 . 1 37 37 ASN HD22 H 1 7.527 0.000 . . . . . . A 37 ASN HD22 . 30847 1 200 . 1 . 1 38 38 PHE H H 1 7.586 0.000 . . . . . . A 38 PHE H . 30847 1 201 . 1 . 1 38 38 PHE HA H 1 4.153 0.000 . . . . . . A 38 PHE HA . 30847 1 202 . 1 . 1 38 38 PHE HB2 H 1 2.869 0.000 . . . . . . A 38 PHE HB2 . 30847 1 203 . 1 . 1 38 38 PHE HB3 H 1 3.382 0.000 . . . . . . A 38 PHE HB3 . 30847 1 204 . 1 . 1 38 38 PHE HD1 H 1 6.832 0.000 . . . . . . A 38 PHE HD1 . 30847 1 205 . 1 . 1 38 38 PHE HD2 H 1 6.832 0.000 . . . . . . A 38 PHE HD2 . 30847 1 206 . 1 . 1 38 38 PHE HE1 H 1 7.382 0.000 . . . . . . A 38 PHE HE1 . 30847 1 207 . 1 . 1 38 38 PHE HE2 H 1 7.382 0.000 . . . . . . A 38 PHE HE2 . 30847 1 208 . 1 . 1 38 38 PHE HZ H 1 7.000 0.000 . . . . . . A 38 PHE HZ . 30847 1 209 . 1 . 1 39 39 ASP H H 1 7.761 0.000 . . . . . . A 39 ASP H . 30847 1 210 . 1 . 1 39 39 ASP HA H 1 4.795 0.000 . . . . . . A 39 ASP HA . 30847 1 211 . 1 . 1 39 39 ASP HB2 H 1 2.802 0.000 . . . . . . A 39 ASP HB2 . 30847 1 212 . 1 . 1 39 39 ASP HB3 H 1 2.802 0.000 . . . . . . A 39 ASP HB3 . 30847 1 213 . 1 . 1 40 40 CYS H H 1 8.482 0.000 . . . . . . A 40 CYS H . 30847 1 214 . 1 . 1 40 40 CYS HA H 1 5.120 0.000 . . . . . . A 40 CYS HA . 30847 1 215 . 1 . 1 40 40 CYS HB2 H 1 2.713 0.000 . . . . . . A 40 CYS HB2 . 30847 1 216 . 1 . 1 40 40 CYS HB3 H 1 2.957 0.000 . . . . . . A 40 CYS HB3 . 30847 1 217 . 1 . 1 41 41 SER H H 1 8.832 0.000 . . . . . . A 41 SER H . 30847 1 218 . 1 . 1 41 41 SER HA H 1 4.764 0.000 . . . . . . A 41 SER HA . 30847 1 219 . 1 . 1 41 41 SER HB2 H 1 3.677 0.000 . . . . . . A 41 SER HB2 . 30847 1 220 . 1 . 1 41 41 SER HB3 H 1 3.845 0.000 . . . . . . A 41 SER HB3 . 30847 1 221 . 1 . 1 42 42 CYS H H 1 8.494 0.000 . . . . . . A 42 CYS H . 30847 1 222 . 1 . 1 42 42 CYS HA H 1 5.737 0.000 . . . . . . A 42 CYS HA . 30847 1 223 . 1 . 1 42 42 CYS HB2 H 1 2.676 0.000 . . . . . . A 42 CYS HB2 . 30847 1 224 . 1 . 1 42 42 CYS HB3 H 1 3.120 0.000 . . . . . . A 42 CYS HB3 . 30847 1 225 . 1 . 1 43 43 VAL H H 1 9.338 0.000 . . . . . . A 43 VAL H . 30847 1 226 . 1 . 1 43 43 VAL HA H 1 4.405 0.000 . . . . . . A 43 VAL HA . 30847 1 227 . 1 . 1 43 43 VAL HB H 1 2.042 0.000 . . . . . . A 43 VAL HB . 30847 1 228 . 1 . 1 43 43 VAL HG11 H 1 0.783 0.000 . . . . . . A 43 VAL HG11 . 30847 1 229 . 1 . 1 43 43 VAL HG12 H 1 0.783 0.000 . . . . . . A 43 VAL HG12 . 30847 1 230 . 1 . 1 43 43 VAL HG13 H 1 0.783 0.000 . . . . . . A 43 VAL HG13 . 30847 1 231 . 1 . 1 43 43 VAL HG21 H 1 0.862 0.000 . . . . . . A 43 VAL HG21 . 30847 1 232 . 1 . 1 43 43 VAL HG22 H 1 0.862 0.000 . . . . . . A 43 VAL HG22 . 30847 1 233 . 1 . 1 43 43 VAL HG23 H 1 0.862 0.000 . . . . . . A 43 VAL HG23 . 30847 1 234 . 1 . 1 44 44 LYS H H 1 8.321 0.000 . . . . . . A 44 LYS H . 30847 1 235 . 1 . 1 44 44 LYS HA H 1 4.356 0.000 . . . . . . A 44 LYS HA . 30847 1 236 . 1 . 1 44 44 LYS HB2 H 1 1.818 0.000 . . . . . . A 44 LYS HB2 . 30847 1 237 . 1 . 1 44 44 LYS HB3 H 1 1.818 0.000 . . . . . . A 44 LYS HB3 . 30847 1 238 . 1 . 1 44 44 LYS HG2 H 1 1.425 0.000 . . . . . . A 44 LYS HG2 . 30847 1 239 . 1 . 1 44 44 LYS HG3 H 1 1.425 0.000 . . . . . . A 44 LYS HG3 . 30847 1 240 . 1 . 1 44 44 LYS HD2 H 1 1.700 0.000 . . . . . . A 44 LYS HD2 . 30847 1 241 . 1 . 1 44 44 LYS HD3 H 1 1.700 0.000 . . . . . . A 44 LYS HD3 . 30847 1 242 . 1 . 1 45 45 LEU H H 1 8.493 0.000 . . . . . . A 45 LEU H . 30847 1 243 . 1 . 1 45 45 LEU HA H 1 4.305 0.000 . . . . . . A 45 LEU HA . 30847 1 244 . 1 . 1 45 45 LEU HB2 H 1 1.606 0.000 . . . . . . A 45 LEU HB2 . 30847 1 245 . 1 . 1 45 45 LEU HB3 H 1 1.606 0.000 . . . . . . A 45 LEU HB3 . 30847 1 246 . 1 . 1 45 45 LEU HD11 H 1 0.856 0.000 . . . . . . A 45 LEU HD11 . 30847 1 247 . 1 . 1 45 45 LEU HD12 H 1 0.856 0.000 . . . . . . A 45 LEU HD12 . 30847 1 248 . 1 . 1 45 45 LEU HD13 H 1 0.856 0.000 . . . . . . A 45 LEU HD13 . 30847 1 249 . 1 . 1 45 45 LEU HD21 H 1 0.888 0.000 . . . . . . A 45 LEU HD21 . 30847 1 250 . 1 . 1 45 45 LEU HD22 H 1 0.888 0.000 . . . . . . A 45 LEU HD22 . 30847 1 251 . 1 . 1 45 45 LEU HD23 H 1 0.888 0.000 . . . . . . A 45 LEU HD23 . 30847 1 252 . 1 . 1 46 46 GLY H H 1 8.512 0.000 . . . . . . A 46 GLY H . 30847 1 253 . 1 . 1 46 46 GLY HA2 H 1 3.969 0.000 . . . . . . A 46 GLY HA2 . 30847 1 254 . 1 . 1 46 46 GLY HA3 H 1 3.969 0.000 . . . . . . A 46 GLY HA3 . 30847 1 255 . 1 . 1 47 47 GLY H H 1 8.254 0.000 . . . . . . A 47 GLY H . 30847 1 256 . 1 . 1 47 47 GLY HA2 H 1 3.962 0.000 . . . . . . A 47 GLY HA2 . 30847 1 257 . 1 . 1 47 47 GLY HA3 H 1 3.962 0.000 . . . . . . A 47 GLY HA3 . 30847 1 stop_ save_