################################### # 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 30424 _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 1H-1H TOCSY' . . . 30424 1 2 '2D 1H-1H NOESY' . . . 30424 1 3 '2D 1H-13C HSQC' . . . 30424 1 4 '2D 1H-15N HMQC' . . . 30424 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 2 2 ILE H H 1 7.665 . . . . . . . A 1 ILE H . 30424 1 2 . 1 1 2 2 ILE HA H 1 3.954 . . . . . . . A 1 ILE HA . 30424 1 3 . 1 1 2 2 ILE HB H 1 1.985 . . . . . . . A 1 ILE HB . 30424 1 4 . 1 1 2 2 ILE CB C 13 38.438 . . . . . . . A 1 ILE CB . 30424 1 5 . 1 1 2 2 ILE CD1 C 13 22.513 . . . . . . . A 1 ILE CD1 . 30424 1 6 . 1 1 2 2 ILE N N 15 125.438 . . . . . . . A 1 ILE N . 30424 1 7 . 1 1 3 3 TRP H H 1 7.284 . . . . . . . A 2 TRP H . 30424 1 8 . 1 1 3 3 TRP HA H 1 4.528 . . . . . . . A 2 TRP HA . 30424 1 9 . 1 1 3 3 TRP HB2 H 1 3.343 . . . . . . . A 2 TRP HB2 . 30424 1 10 . 1 1 3 3 TRP HB3 H 1 3.451 . . . . . . . A 2 TRP HB3 . 30424 1 11 . 1 1 3 3 TRP HD1 H 1 7.213 . . . . . . . A 2 TRP HD1 . 30424 1 12 . 1 1 3 3 TRP HE1 H 1 9.814 . . . . . . . A 2 TRP HE1 . 30424 1 13 . 1 1 3 3 TRP HE3 H 1 7.559 . . . . . . . A 2 TRP HE3 . 30424 1 14 . 1 1 3 3 TRP HZ2 H 1 7.507 . . . . . . . A 2 TRP HZ2 . 30424 1 15 . 1 1 3 3 TRP CA C 13 58.401 . . . . . . . A 2 TRP CA . 30424 1 16 . 1 1 3 3 TRP CB C 13 27.947 . . . . . . . A 2 TRP CB . 30424 1 17 . 1 1 3 3 TRP CD1 C 13 124.284 . . . . . . . A 2 TRP CD1 . 30424 1 18 . 1 1 3 3 TRP CE3 C 13 118.315 . . . . . . . A 2 TRP CE3 . 30424 1 19 . 1 1 3 3 TRP CZ2 C 13 112.654 . . . . . . . A 2 TRP CZ2 . 30424 1 20 . 1 1 3 3 TRP N N 15 118.594 . . . . . . . A 2 TRP N . 30424 1 21 . 1 1 3 3 TRP NE1 N 15 127.714 . . . . . . . A 2 TRP NE1 . 30424 1 22 . 1 1 4 4 LEU H H 1 7.017 . . . . . . . A 3 LEU H . 30424 1 23 . 1 1 4 4 LEU HA H 1 4.079 . . . . . . . A 3 LEU HA . 30424 1 24 . 1 1 4 4 LEU HB2 H 1 1.188 . . . . . . . A 3 LEU HB2 . 30424 1 25 . 1 1 4 4 LEU HB3 H 1 1.470 . . . . . . . A 3 LEU HB3 . 30424 1 26 . 1 1 4 4 LEU HG H 1 1.179 . . . . . . . A 3 LEU HG . 30424 1 27 . 1 1 4 4 LEU HD11 H 1 0.871 . . . . . . . A 3 LEU HD11 . 30424 1 28 . 1 1 4 4 LEU HD12 H 1 0.823 . . . . . . . A 3 LEU HD12 . 30424 1 29 . 1 1 4 4 LEU HD13 H 1 0.871 . . . . . . . A 3 LEU HD13 . 30424 1 30 . 1 1 4 4 LEU HD21 H 1 0.822 . . . . . . . A 3 LEU HD21 . 30424 1 31 . 1 1 4 4 LEU HD22 H 1 0.822 . . . . . . . A 3 LEU HD22 . 30424 1 32 . 1 1 4 4 LEU HD23 H 1 0.822 . . . . . . . A 3 LEU HD23 . 30424 1 33 . 1 1 4 4 LEU CA C 13 57.603 . . . . . . . A 3 LEU CA . 30424 1 34 . 1 1 4 4 LEU CB C 13 41.645 . . . . . . . A 3 LEU CB . 30424 1 35 . 1 1 4 4 LEU CG C 13 26.929 . . . . . . . A 3 LEU CG . 30424 1 36 . 1 1 4 4 LEU CD1 C 13 23.771 . . . . . . . A 3 LEU CD1 . 30424 1 37 . 1 1 4 4 LEU CD2 C 13 23.126 . . . . . . . A 3 LEU CD2 . 30424 1 38 . 1 1 4 4 LEU N N 15 120.817 . . . . . . . A 3 LEU N . 30424 1 39 . 1 1 5 5 THR H H 1 7.611 . . . . . . . A 4 THR H . 30424 1 40 . 1 1 5 5 THR HA H 1 4.247 . . . . . . . A 4 THR HA . 30424 1 41 . 1 1 5 5 THR HB H 1 3.900 . . . . . . . A 4 THR HB . 30424 1 42 . 1 1 5 5 THR HG1 H 1 1.309 . . . . . . . A 4 THR HG1 . 30424 1 43 . 1 1 5 5 THR HG21 H 1 1.224 . . . . . . . A 4 THR HG21 . 30424 1 44 . 1 1 5 5 THR HG22 H 1 1.224 . . . . . . . A 4 THR HG22 . 30424 1 45 . 1 1 5 5 THR HG23 H 1 1.224 . . . . . . . A 4 THR HG23 . 30424 1 46 . 1 1 5 5 THR CA C 13 69.003 . . . . . . . A 4 THR CA . 30424 1 47 . 1 1 5 5 THR CB C 13 66.333 . . . . . . . A 4 THR CB . 30424 1 48 . 1 1 5 5 THR CG2 C 13 21.392 . . . . . . . A 4 THR CG2 . 30424 1 49 . 1 1 5 5 THR N N 15 113.394 . . . . . . . A 4 THR N . 30424 1 50 . 1 1 6 6 ALA H H 1 7.822 . . . . . . . A 5 ALA H . 30424 1 51 . 1 1 6 6 ALA HA H 1 4.225 . . . . . . . A 5 ALA HA . 30424 1 52 . 1 1 6 6 ALA HB1 H 1 1.599 . . . . . . . A 5 ALA HB1 . 30424 1 53 . 1 1 6 6 ALA HB2 H 1 1.599 . . . . . . . A 5 ALA HB2 . 30424 1 54 . 1 1 6 6 ALA HB3 H 1 1.599 . . . . . . . A 5 ALA HB3 . 30424 1 55 . 1 1 6 6 ALA CA C 13 55.379 . . . . . . . A 5 ALA CA . 30424 1 56 . 1 1 6 6 ALA CB C 13 17.577 . . . . . . . A 5 ALA CB . 30424 1 57 . 1 1 6 6 ALA N N 15 123.363 . . . . . . . A 5 ALA N . 30424 1 58 . 1 1 7 7 LEU H H 1 7.955 . . . . . . . A 6 LEU H . 30424 1 59 . 1 1 7 7 LEU HA H 1 4.226 . . . . . . . A 6 LEU HA . 30424 1 60 . 1 1 7 7 LEU HB2 H 1 1.715 . . . . . . . A 6 LEU HB2 . 30424 1 61 . 1 1 7 7 LEU HB3 H 1 1.963 . . . . . . . A 6 LEU HB3 . 30424 1 62 . 1 1 7 7 LEU HD11 H 1 1.052 . . . . . . . A 6 LEU HD11 . 30424 1 63 . 1 1 7 7 LEU HD12 H 1 1.052 . . . . . . . A 6 LEU HD12 . 30424 1 64 . 1 1 7 7 LEU HD13 H 1 1.052 . . . . . . . A 6 LEU HD13 . 30424 1 65 . 1 1 7 7 LEU HD21 H 1 0.985 . . . . . . . A 6 LEU HD21 . 30424 1 66 . 1 1 7 7 LEU HD22 H 1 0.985 . . . . . . . A 6 LEU HD22 . 30424 1 67 . 1 1 7 7 LEU HD23 H 1 0.985 . . . . . . . A 6 LEU HD23 . 30424 1 68 . 1 1 7 7 LEU CA C 13 58.180 . . . . . . . A 6 LEU CA . 30424 1 69 . 1 1 7 7 LEU CB C 13 41.893 . . . . . . . A 6 LEU CB . 30424 1 70 . 1 1 7 7 LEU CD1 C 13 24.427 . . . . . . . A 6 LEU CD1 . 30424 1 71 . 1 1 7 7 LEU CD2 C 13 22.879 . . . . . . . A 6 LEU CD2 . 30424 1 72 . 1 1 7 7 LEU N N 15 117.522 . . . . . . . A 6 LEU N . 30424 1 73 . 1 1 8 8 LYS H H 1 8.137 . . . . . . . A 7 LYS H . 30424 1 74 . 1 1 8 8 LYS HA H 1 4.110 . . . . . . . A 7 LYS HA . 30424 1 75 . 1 1 8 8 LYS HB2 H 1 1.970 . . . . . . . A 7 LYS HB2 . 30424 1 76 . 1 1 8 8 LYS HB3 H 1 2.028 . . . . . . . A 7 LYS HB3 . 30424 1 77 . 1 1 8 8 LYS HG3 H 1 1.438 . . . . . . . A 7 LYS HG3 . 30424 1 78 . 1 1 8 8 LYS HD2 H 1 1.601 . . . . . . . A 7 LYS HD2 . 30424 1 79 . 1 1 8 8 LYS HD3 H 1 1.727 . . . . . . . A 7 LYS HD3 . 30424 1 80 . 1 1 8 8 LYS HE3 H 1 2.972 . . . . . . . A 7 LYS HE3 . 30424 1 81 . 1 1 8 8 LYS CA C 13 59.662 . . . . . . . A 7 LYS CA . 30424 1 82 . 1 1 8 8 LYS CB C 13 32.269 . . . . . . . A 7 LYS CB . 30424 1 83 . 1 1 8 8 LYS CG C 13 27.421 . . . . . . . A 7 LYS CG . 30424 1 84 . 1 1 8 8 LYS CD C 13 29.659 . . . . . . . A 7 LYS CD . 30424 1 85 . 1 1 8 8 LYS N N 15 119.830 . . . . . . . A 7 LYS N . 30424 1 86 . 1 1 9 9 PHE H H 1 8.280 . . . . . . . A 8 PHE H . 30424 1 87 . 1 1 9 9 PHE HA H 1 4.314 . . . . . . . A 8 PHE HA . 30424 1 88 . 1 1 9 9 PHE HB2 H 1 3.280 . . . . . . . A 8 PHE HB2 . 30424 1 89 . 1 1 9 9 PHE HB3 H 1 3.344 . . . . . . . A 8 PHE HB3 . 30424 1 90 . 1 1 9 9 PHE HD1 H 1 7.293 . . . . . . . A 8 PHE HD1 . 30424 1 91 . 1 1 9 9 PHE HE1 H 1 7.360 . . . . . . . A 8 PHE HE1 . 30424 1 92 . 1 1 9 9 PHE CA C 13 61.381 . . . . . . . A 8 PHE CA . 30424 1 93 . 1 1 9 9 PHE CB C 13 39.192 . . . . . . . A 8 PHE CB . 30424 1 94 . 1 1 9 9 PHE CD1 C 13 129.528 . . . . . . . A 8 PHE CD1 . 30424 1 95 . 1 1 9 9 PHE CE1 C 13 129.500 . . . . . . . A 8 PHE CE1 . 30424 1 96 . 1 1 9 9 PHE N N 15 120.108 . . . . . . . A 8 PHE N . 30424 1 97 . 1 1 10 10 LEU H H 1 8.778 . . . . . . . A 9 LEU H . 30424 1 98 . 1 1 10 10 LEU HA H 1 4.314 . . . . . . . A 9 LEU HA . 30424 1 99 . 1 1 10 10 LEU HB2 H 1 1.816 . . . . . . . A 9 LEU HB2 . 30424 1 100 . 1 1 10 10 LEU HB3 H 1 1.977 . . . . . . . A 9 LEU HB3 . 30424 1 101 . 1 1 10 10 LEU HD11 H 1 1.010 . . . . . . . A 9 LEU HD11 . 30424 1 102 . 1 1 10 10 LEU HD12 H 1 1.010 . . . . . . . A 9 LEU HD12 . 30424 1 103 . 1 1 10 10 LEU HD13 H 1 1.010 . . . . . . . A 9 LEU HD13 . 30424 1 104 . 1 1 10 10 LEU CB C 13 41.967 . . . . . . . A 9 LEU CB . 30424 1 105 . 1 1 10 10 LEU CG C 13 27.186 . . . . . . . A 9 LEU CG . 30424 1 106 . 1 1 10 10 LEU CD1 C 13 24.822 . . . . . . . A 9 LEU CD1 . 30424 1 107 . 1 1 10 10 LEU CD2 C 13 23.154 . . . . . . . A 9 LEU CD2 . 30424 1 108 . 1 1 10 10 LEU N N 15 122.195 . . . . . . . A 9 LEU N . 30424 1 109 . 1 1 11 11 GLY H H 1 8.591 . . . . . . . A 10 GLY H . 30424 1 110 . 1 1 11 11 GLY HA2 H 1 3.832 . . . . . . . A 10 GLY HA2 . 30424 1 111 . 1 1 11 11 GLY HA3 H 1 3.988 . . . . . . . A 10 GLY HA3 . 30424 1 112 . 1 1 11 11 GLY CA C 13 47.318 . . . . . . . A 10 GLY CA . 30424 1 113 . 1 1 11 11 GLY N N 15 105.794 . . . . . . . A 10 GLY N . 30424 1 114 . 1 1 12 12 LYS H H 1 8.281 . . . . . . . A 11 LYS H . 30424 1 115 . 1 1 12 12 LYS HA H 1 4.207 . . . . . . . A 11 LYS HA . 30424 1 116 . 1 1 12 12 LYS HB3 H 1 2.053 . . . . . . . A 11 LYS HB3 . 30424 1 117 . 1 1 12 12 LYS HG2 H 1 1.680 . . . . . . . A 11 LYS HG2 . 30424 1 118 . 1 1 12 12 LYS HG3 H 1 1.662 . . . . . . . A 11 LYS HG3 . 30424 1 119 . 1 1 12 12 LYS HD3 H 1 2.014 . . . . . . . A 11 LYS HD3 . 30424 1 120 . 1 1 12 12 LYS HE3 H 1 3.045 . . . . . . . A 11 LYS HE3 . 30424 1 121 . 1 1 12 12 LYS CA C 13 58.588 . . . . . . . A 11 LYS CA . 30424 1 122 . 1 1 12 12 LYS CB C 13 32.398 . . . . . . . A 11 LYS CB . 30424 1 123 . 1 1 12 12 LYS CG C 13 26.144 . . . . . . . A 11 LYS CG . 30424 1 124 . 1 1 12 12 LYS CD C 13 25.128 . . . . . . . A 11 LYS CD . 30424 1 125 . 1 1 12 12 LYS N N 15 121.480 . . . . . . . A 11 LYS N . 30424 1 126 . 1 1 13 13 ASN H H 1 7.930 . . . . . . . A 12 ASN H . 30424 1 127 . 1 1 13 13 ASN HA H 1 4.476 . . . . . . . A 12 ASN HA . 30424 1 128 . 1 1 13 13 ASN HB2 H 1 2.582 . . . . . . . A 12 ASN HB2 . 30424 1 129 . 1 1 13 13 ASN HB3 H 1 2.760 . . . . . . . A 12 ASN HB3 . 30424 1 130 . 1 1 13 13 ASN HD21 H 1 6.737 . . . . . . . A 12 ASN HD21 . 30424 1 131 . 1 1 13 13 ASN HD22 H 1 5.638 . . . . . . . A 12 ASN HD22 . 30424 1 132 . 1 1 13 13 ASN CA C 13 56.799 . . . . . . . A 12 ASN CA . 30424 1 133 . 1 1 13 13 ASN CB C 13 39.139 . . . . . . . A 12 ASN CB . 30424 1 134 . 1 1 13 13 ASN N N 15 117.834 . . . . . . . A 12 ASN N . 30424 1 135 . 1 1 13 13 ASN ND2 N 15 111.405 . . . . . . . A 12 ASN ND2 . 30424 1 136 . 1 1 14 14 LEU H H 1 8.752 . . . . . . . A 13 LEU H . 30424 1 137 . 1 1 14 14 LEU HA H 1 4.216 . . . . . . . A 13 LEU HA . 30424 1 138 . 1 1 14 14 LEU HB2 H 1 1.602 . . . . . . . A 13 LEU HB2 . 30424 1 139 . 1 1 14 14 LEU HB3 H 1 1.888 . . . . . . . A 13 LEU HB3 . 30424 1 140 . 1 1 14 14 LEU HD11 H 1 0.949 . . . . . . . A 13 LEU HD11 . 30424 1 141 . 1 1 14 14 LEU HD12 H 1 0.949 . . . . . . . A 13 LEU HD12 . 30424 1 142 . 1 1 14 14 LEU HD13 H 1 0.949 . . . . . . . A 13 LEU HD13 . 30424 1 143 . 1 1 14 14 LEU HD21 H 1 0.913 . . . . . . . A 13 LEU HD21 . 30424 1 144 . 1 1 14 14 LEU HD22 H 1 0.913 . . . . . . . A 13 LEU HD22 . 30424 1 145 . 1 1 14 14 LEU HD23 H 1 0.913 . . . . . . . A 13 LEU HD23 . 30424 1 146 . 1 1 14 14 LEU CA C 13 58.543 . . . . . . . A 13 LEU CA . 30424 1 147 . 1 1 14 14 LEU CB C 13 42.611 . . . . . . . A 13 LEU CB . 30424 1 148 . 1 1 14 14 LEU CG C 13 27.093 . . . . . . . A 13 LEU CG . 30424 1 149 . 1 1 14 14 LEU N N 15 121.285 . . . . . . . A 13 LEU N . 30424 1 150 . 1 1 15 15 GLY H H 1 8.228 . . . . . . . A 14 GLY H . 30424 1 151 . 1 1 15 15 GLY HA2 H 1 3.878 . . . . . . . A 14 GLY HA2 . 30424 1 152 . 1 1 15 15 GLY HA3 H 1 3.983 . . . . . . . A 14 GLY HA3 . 30424 1 153 . 1 1 15 15 GLY CA C 13 47.018 . . . . . . . A 14 GLY CA . 30424 1 154 . 1 1 15 15 GLY N N 15 105.421 . . . . . . . A 14 GLY N . 30424 1 155 . 1 1 16 16 LYS H H 1 7.710 . . . . . . . A 15 LYS H . 30424 1 156 . 1 1 16 16 LYS HA H 1 4.132 . . . . . . . A 15 LYS HA . 30424 1 157 . 1 1 16 16 LYS HB2 H 1 1.998 . . . . . . . A 15 LYS HB2 . 30424 1 158 . 1 1 16 16 LYS HB3 H 1 2.093 . . . . . . . A 15 LYS HB3 . 30424 1 159 . 1 1 16 16 LYS HD3 H 1 2.063 . . . . . . . A 15 LYS HD3 . 30424 1 160 . 1 1 16 16 LYS HE3 H 1 2.975 . . . . . . . A 15 LYS HE3 . 30424 1 161 . 1 1 16 16 LYS CA C 13 58.885 . . . . . . . A 15 LYS CA . 30424 1 162 . 1 1 16 16 LYS CB C 13 32.281 . . . . . . . A 15 LYS CB . 30424 1 163 . 1 1 16 16 LYS CD C 13 27.925 . . . . . . . A 15 LYS CD . 30424 1 164 . 1 1 16 16 LYS N N 15 120.867 . . . . . . . A 15 LYS N . 30424 1 165 . 1 1 17 17 LEU H H 1 7.901 . . . . . . . A 16 LEU H . 30424 1 166 . 1 1 17 17 LEU HA H 1 4.166 . . . . . . . A 16 LEU HA . 30424 1 167 . 1 1 17 17 LEU HB2 H 1 1.769 . . . . . . . A 16 LEU HB2 . 30424 1 168 . 1 1 17 17 LEU HB3 H 1 1.929 . . . . . . . A 16 LEU HB3 . 30424 1 169 . 1 1 17 17 LEU HG H 1 1.667 . . . . . . . A 16 LEU HG . 30424 1 170 . 1 1 17 17 LEU HD11 H 1 0.969 . . . . . . . A 16 LEU HD11 . 30424 1 171 . 1 1 17 17 LEU HD12 H 1 0.969 . . . . . . . A 16 LEU HD12 . 30424 1 172 . 1 1 17 17 LEU HD13 H 1 0.969 . . . . . . . A 16 LEU HD13 . 30424 1 173 . 1 1 17 17 LEU HD21 H 1 0.932 . . . . . . . A 16 LEU HD21 . 30424 1 174 . 1 1 17 17 LEU HD22 H 1 0.932 . . . . . . . A 16 LEU HD22 . 30424 1 175 . 1 1 17 17 LEU HD23 H 1 0.932 . . . . . . . A 16 LEU HD23 . 30424 1 176 . 1 1 17 17 LEU CA C 13 57.720 . . . . . . . A 16 LEU CA . 30424 1 177 . 1 1 17 17 LEU CB C 13 41.677 . . . . . . . A 16 LEU CB . 30424 1 178 . 1 1 17 17 LEU CG C 13 26.987 . . . . . . . A 16 LEU CG . 30424 1 179 . 1 1 17 17 LEU CD1 C 13 23.558 . . . . . . . A 16 LEU CD1 . 30424 1 180 . 1 1 17 17 LEU N N 15 120.582 . . . . . . . A 16 LEU N . 30424 1 181 . 1 1 18 18 ALA H H 1 8.496 . . . . . . . A 17 ALA H . 30424 1 182 . 1 1 18 18 ALA HA H 1 4.129 . . . . . . . A 17 ALA HA . 30424 1 183 . 1 1 18 18 ALA HB1 H 1 1.550 . . . . . . . A 17 ALA HB1 . 30424 1 184 . 1 1 18 18 ALA HB2 H 1 1.550 . . . . . . . A 17 ALA HB2 . 30424 1 185 . 1 1 18 18 ALA HB3 H 1 1.616 . . . . . . . A 17 ALA HB3 . 30424 1 186 . 1 1 18 18 ALA CA C 13 55.501 . . . . . . . A 17 ALA CA . 30424 1 187 . 1 1 18 18 ALA CB C 13 17.966 . . . . . . . A 17 ALA CB . 30424 1 188 . 1 1 18 18 ALA N N 15 121.991 . . . . . . . A 17 ALA N . 30424 1 189 . 1 1 19 19 LYS H H 1 8.063 . . . . . . . A 18 LYS H . 30424 1 190 . 1 1 19 19 LYS HA H 1 4.006 . . . . . . . A 18 LYS HA . 30424 1 191 . 1 1 19 19 LYS HB2 H 1 1.981 . . . . . . . A 18 LYS HB2 . 30424 1 192 . 1 1 19 19 LYS HB3 H 1 2.021 . . . . . . . A 18 LYS HB3 . 30424 1 193 . 1 1 19 19 LYS HG3 H 1 1.484 . . . . . . . A 18 LYS HG3 . 30424 1 194 . 1 1 19 19 LYS HD3 H 1 1.748 . . . . . . . A 18 LYS HD3 . 30424 1 195 . 1 1 19 19 LYS HE3 H 1 2.981 . . . . . . . A 18 LYS HE3 . 30424 1 196 . 1 1 19 19 LYS CA C 13 60.239 . . . . . . . A 18 LYS CA . 30424 1 197 . 1 1 19 19 LYS CB C 13 32.331 . . . . . . . A 18 LYS CB . 30424 1 198 . 1 1 19 19 LYS CG C 13 25.121 . . . . . . . A 18 LYS CG . 30424 1 199 . 1 1 19 19 LYS N N 15 116.803 . . . . . . . A 18 LYS N . 30424 1 200 . 1 1 20 20 GLN H H 1 7.970 . . . . . . . A 19 GLN H . 30424 1 201 . 1 1 20 20 GLN HA H 1 4.109 . . . . . . . A 19 GLN HA . 30424 1 202 . 1 1 20 20 GLN HB2 H 1 2.247 . . . . . . . A 19 GLN HB2 . 30424 1 203 . 1 1 20 20 GLN HB3 H 1 2.344 . . . . . . . A 19 GLN HB3 . 30424 1 204 . 1 1 20 20 GLN HG2 H 1 2.449 . . . . . . . A 19 GLN HG2 . 30424 1 205 . 1 1 20 20 GLN HG3 H 1 2.649 . . . . . . . A 19 GLN HG3 . 30424 1 206 . 1 1 20 20 GLN HE21 H 1 7.212 . . . . . . . A 19 GLN HE21 . 30424 1 207 . 1 1 20 20 GLN HE22 H 1 6.595 . . . . . . . A 19 GLN HE22 . 30424 1 208 . 1 1 20 20 GLN CA C 13 58.566 . . . . . . . A 19 GLN CA . 30424 1 209 . 1 1 20 20 GLN CB C 13 28.614 . . . . . . . A 19 GLN CB . 30424 1 210 . 1 1 20 20 GLN CG C 13 34.249 . . . . . . . A 19 GLN CG . 30424 1 211 . 1 1 20 20 GLN N N 15 117.288 . . . . . . . A 19 GLN N . 30424 1 212 . 1 1 20 20 GLN NE2 N 15 108.733 . . . . . . . A 19 GLN NE2 . 30424 1 213 . 1 1 21 21 GLN H H 1 8.096 . . . . . . . A 20 GLN H . 30424 1 214 . 1 1 21 21 GLN HA H 1 4.169 . . . . . . . A 20 GLN HA . 30424 1 215 . 1 1 21 21 GLN HB2 H 1 2.222 . . . . . . . A 20 GLN HB2 . 30424 1 216 . 1 1 21 21 GLN HB3 H 1 2.299 . . . . . . . A 20 GLN HB3 . 30424 1 217 . 1 1 21 21 GLN HG3 H 1 2.496 . . . . . . . A 20 GLN HG3 . 30424 1 218 . 1 1 21 21 GLN HE21 H 1 6.992 . . . . . . . A 20 GLN HE21 . 30424 1 219 . 1 1 21 21 GLN HE22 H 1 6.621 . . . . . . . A 20 GLN HE22 . 30424 1 220 . 1 1 21 21 GLN CA C 13 58.571 . . . . . . . A 20 GLN CA . 30424 1 221 . 1 1 21 21 GLN CB C 13 28.593 . . . . . . . A 20 GLN CB . 30424 1 222 . 1 1 21 21 GLN CG C 13 33.821 . . . . . . . A 20 GLN CG . 30424 1 223 . 1 1 21 21 GLN N N 15 118.054 . . . . . . . A 20 GLN N . 30424 1 224 . 1 1 21 21 GLN NE2 N 15 108.984 . . . . . . . A 20 GLN NE2 . 30424 1 225 . 1 1 22 22 LEU H H 1 8.300 . . . . . . . A 21 LEU H . 30424 1 226 . 1 1 22 22 LEU HA H 1 4.158 . . . . . . . A 21 LEU HA . 30424 1 227 . 1 1 22 22 LEU HB2 H 1 1.627 . . . . . . . A 21 LEU HB2 . 30424 1 228 . 1 1 22 22 LEU HB3 H 1 1.897 . . . . . . . A 21 LEU HB3 . 30424 1 229 . 1 1 22 22 LEU HD11 H 1 0.933 . . . . . . . A 21 LEU HD11 . 30424 1 230 . 1 1 22 22 LEU HD12 H 1 0.933 . . . . . . . A 21 LEU HD12 . 30424 1 231 . 1 1 22 22 LEU HD13 H 1 0.933 . . . . . . . A 21 LEU HD13 . 30424 1 232 . 1 1 22 22 LEU CA C 13 58.344 . . . . . . . A 21 LEU CA . 30424 1 233 . 1 1 22 22 LEU CB C 13 41.727 . . . . . . . A 21 LEU CB . 30424 1 234 . 1 1 22 22 LEU CD1 C 13 0.946 . . . . . . . A 21 LEU CD1 . 30424 1 235 . 1 1 22 22 LEU N N 15 119.639 . . . . . . . A 21 LEU N . 30424 1 236 . 1 1 23 23 ALA H H 1 8.024 . . . . . . . A 22 ALA H . 30424 1 237 . 1 1 23 23 ALA HA H 1 4.149 . . . . . . . A 22 ALA HA . 30424 1 238 . 1 1 23 23 ALA HB1 H 1 1.550 . . . . . . . A 22 ALA HB1 . 30424 1 239 . 1 1 23 23 ALA HB2 H 1 1.550 . . . . . . . A 22 ALA HB2 . 30424 1 240 . 1 1 23 23 ALA HB3 H 1 1.550 . . . . . . . A 22 ALA HB3 . 30424 1 241 . 1 1 23 23 ALA CA C 13 57.074 . . . . . . . A 22 ALA CA . 30424 1 242 . 1 1 23 23 ALA CB C 13 17.634 . . . . . . . A 22 ALA CB . 30424 1 243 . 1 1 23 23 ALA N N 15 120.497 . . . . . . . A 22 ALA N . 30424 1 244 . 1 1 24 24 LYS H H 1 7.652 . . . . . . . A 23 LYS H . 30424 1 245 . 1 1 24 24 LYS HA H 1 4.203 . . . . . . . A 23 LYS HA . 30424 1 246 . 1 1 24 24 LYS HB3 H 1 2.005 . . . . . . . A 23 LYS HB3 . 30424 1 247 . 1 1 24 24 LYS HG3 H 1 1.544 . . . . . . . A 23 LYS HG3 . 30424 1 248 . 1 1 24 24 LYS HD2 H 1 1.685 . . . . . . . A 23 LYS HD2 . 30424 1 249 . 1 1 24 24 LYS HD3 H 1 1.762 . . . . . . . A 23 LYS HD3 . 30424 1 250 . 1 1 24 24 LYS HE3 H 1 3.033 . . . . . . . A 23 LYS HE3 . 30424 1 251 . 1 1 24 24 LYS CA C 13 57.831 . . . . . . . A 23 LYS CA . 30424 1 252 . 1 1 24 24 LYS CB C 13 32.674 . . . . . . . A 23 LYS CB . 30424 1 253 . 1 1 24 24 LYS CG C 13 25.550 . . . . . . . A 23 LYS CG . 30424 1 254 . 1 1 24 24 LYS CD C 13 29.158 . . . . . . . A 23 LYS CD . 30424 1 255 . 1 1 24 24 LYS CE C 13 42.335 . . . . . . . A 23 LYS CE . 30424 1 256 . 1 1 24 24 LYS N N 15 116.067 . . . . . . . A 23 LYS N . 30424 1 257 . 1 1 25 25 LEU H H 1 7.801 . . . . . . . A 24 LEU H . 30424 1 258 . 1 1 25 25 LEU HA H 1 4.257 . . . . . . . A 24 LEU HA . 30424 1 259 . 1 1 25 25 LEU HB2 H 1 1.911 . . . . . . . A 24 LEU HB2 . 30424 1 260 . 1 1 25 25 LEU HB3 H 1 1.658 . . . . . . . A 24 LEU HB3 . 30424 1 261 . 1 1 25 25 LEU HG H 1 1.756 . . . . . . . A 24 LEU HG . 30424 1 262 . 1 1 25 25 LEU HD11 H 1 0.939 . . . . . . . A 24 LEU HD11 . 30424 1 263 . 1 1 25 25 LEU HD12 H 1 0.939 . . . . . . . A 24 LEU HD12 . 30424 1 264 . 1 1 25 25 LEU HD13 H 1 0.939 . . . . . . . A 24 LEU HD13 . 30424 1 265 . 1 1 25 25 LEU HD21 H 1 0.909 . . . . . . . A 24 LEU HD21 . 30424 1 266 . 1 1 25 25 LEU HD22 H 1 0.909 . . . . . . . A 24 LEU HD22 . 30424 1 267 . 1 1 25 25 LEU HD23 H 1 0.909 . . . . . . . A 24 LEU HD23 . 30424 1 268 . 1 1 25 25 LEU CA C 13 55.916 . . . . . . . A 24 LEU CA . 30424 1 269 . 1 1 25 25 LEU CB C 13 42.115 . . . . . . . A 24 LEU CB . 30424 1 270 . 1 1 25 25 LEU CG C 13 28.396 . . . . . . . A 24 LEU CG . 30424 1 271 . 1 1 25 25 LEU N N 15 119.865 . . . . . . . A 24 LEU N . 30424 1 272 . 1 1 26 26 NH2 N N 15 103.733 . . . . . . . A 25 NH2 N . 30424 1 273 . 1 1 26 26 NH2 HN1 H 1 7.241 . . . . . . . A 25 NH2 HN1 . 30424 1 274 . 1 1 26 26 NH2 HN2 H 1 6.784 . . . . . . . A 25 NH2 HN2 . 30424 1 stop_ save_