################################### # 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 30144 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 30144 1 2 '2D 1H-1H NOESY' . . . 30144 1 3 '2D 1H-1H NOESY' . . . 30144 1 4 '2D 1H-15N HSQC' . . . 30144 1 5 '2D 1H-13C HSQC' . . . 30144 1 6 '2D ECOSY' . . . 30144 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 1 1 ASN H H 1 8.364 0.001 . 1 . . . A 1 ASN H . 30144 1 2 . 1 1 1 1 ASN HA H 1 4.847 0.007 . 1 . . . A 1 ASN HA . 30144 1 3 . 1 1 1 1 ASN HB2 H 1 2.837 0.003 . 2 . . . A 1 ASN HB2 . 30144 1 4 . 1 1 1 1 ASN HB3 H 1 2.901 0.004 . 2 . . . A 1 ASN HB3 . 30144 1 5 . 1 1 1 1 ASN HD21 H 1 7.945 0.001 . 1 . . . A 1 ASN HD21 . 30144 1 6 . 1 1 1 1 ASN HD22 H 1 7.212 0.004 . 1 . . . A 1 ASN HD22 . 30144 1 7 . 1 1 1 1 ASN CA C 13 51.840 0.000 . 1 . . . A 1 ASN CA . 30144 1 8 . 1 1 1 1 ASN CB C 13 39.279 0.010 . 1 . . . A 1 ASN CB . 30144 1 9 . 1 1 1 1 ASN N N 15 122.514 0.000 . 1 . . . A 1 ASN N . 30144 1 10 . 1 1 1 1 ASN ND2 N 15 113.992 0.006 . 1 . . . A 1 ASN ND2 . 30144 1 11 . 1 1 2 2 PRO HA H 1 4.329 0.005 . 1 . . . A 2 PRO HA . 30144 1 12 . 1 1 2 2 PRO HB2 H 1 2.009 0.002 . 2 . . . A 2 PRO HB2 . 30144 1 13 . 1 1 2 2 PRO HB3 H 1 2.403 0.004 . 2 . . . A 2 PRO HB3 . 30144 1 14 . 1 1 2 2 PRO HG2 H 1 2.080 0.004 . 2 . . . A 2 PRO HG2 . 30144 1 15 . 1 1 2 2 PRO HG3 H 1 2.154 0.005 . 2 . . . A 2 PRO HG3 . 30144 1 16 . 1 1 2 2 PRO HD2 H 1 3.842 0.002 . 2 . . . A 2 PRO HD2 . 30144 1 17 . 1 1 2 2 PRO HD3 H 1 4.135 0.003 . 2 . . . A 2 PRO HD3 . 30144 1 18 . 1 1 2 2 PRO CA C 13 65.512 0.000 . 1 . . . A 2 PRO CA . 30144 1 19 . 1 1 2 2 PRO CB C 13 32.294 0.000 . 1 . . . A 2 PRO CB . 30144 1 20 . 1 1 2 2 PRO CD C 13 51.210 0.001 . 1 . . . A 2 PRO CD . 30144 1 21 . 1 1 3 3 GLU H H 1 7.939 0.001 . 1 . . . A 3 GLU H . 30144 1 22 . 1 1 3 3 GLU HA H 1 4.160 0.002 . 1 . . . A 3 GLU HA . 30144 1 23 . 1 1 3 3 GLU HB2 H 1 2.081 0.001 . 2 . . . A 3 GLU HB2 . 30144 1 24 . 1 1 3 3 GLU HB3 H 1 2.145 0.000 . 2 . . . A 3 GLU HB3 . 30144 1 25 . 1 1 3 3 GLU HG2 H 1 2.428 0.006 . 1 . . . A 3 GLU HG2 . 30144 1 26 . 1 1 3 3 GLU HG3 H 1 2.438 0.008 . 1 . . . A 3 GLU HG3 . 30144 1 27 . 1 1 3 3 GLU N N 15 117.522 0.000 . 1 . . . A 3 GLU N . 30144 1 28 . 1 1 4 4 LEU H H 1 7.753 0.002 . 1 . . . A 4 LEU H . 30144 1 29 . 1 1 4 4 LEU HA H 1 4.139 0.004 . 1 . . . A 4 LEU HA . 30144 1 30 . 1 1 4 4 LEU HB2 H 1 1.646 0.006 . 2 . . . A 4 LEU HB2 . 30144 1 31 . 1 1 4 4 LEU HB3 H 1 1.790 0.002 . 2 . . . A 4 LEU HB3 . 30144 1 32 . 1 1 4 4 LEU HD11 H 1 0.964 0.003 . 1 . . . A 4 LEU HD11 . 30144 1 33 . 1 1 4 4 LEU HD12 H 1 0.964 0.003 . 1 . . . A 4 LEU HD12 . 30144 1 34 . 1 1 4 4 LEU HD13 H 1 0.964 0.003 . 1 . . . A 4 LEU HD13 . 30144 1 35 . 1 1 4 4 LEU HD21 H 1 0.869 0.004 . 1 . . . A 4 LEU HD21 . 30144 1 36 . 1 1 4 4 LEU HD22 H 1 0.869 0.004 . 1 . . . A 4 LEU HD22 . 30144 1 37 . 1 1 4 4 LEU HD23 H 1 0.869 0.004 . 1 . . . A 4 LEU HD23 . 30144 1 38 . 1 1 4 4 LEU CB C 13 41.165 0.015 . 1 . . . A 4 LEU CB . 30144 1 39 . 1 1 4 4 LEU CD1 C 13 24.688 0.000 . 1 . . . A 4 LEU CD1 . 30144 1 40 . 1 1 4 4 LEU CD2 C 13 23.739 0.000 . 1 . . . A 4 LEU CD2 . 30144 1 41 . 1 1 4 4 LEU N N 15 121.171 0.000 . 1 . . . A 4 LEU N . 30144 1 42 . 1 1 5 5 GLN H H 1 8.500 0.001 . 1 . . . A 5 GLN H . 30144 1 43 . 1 1 5 5 GLN HA H 1 4.011 0.002 . 1 . . . A 5 GLN HA . 30144 1 44 . 1 1 5 5 GLN HB2 H 1 2.041 0.001 . 2 . . . A 5 GLN HB2 . 30144 1 45 . 1 1 5 5 GLN HB3 H 1 2.128 0.007 . 2 . . . A 5 GLN HB3 . 30144 1 46 . 1 1 5 5 GLN HG2 H 1 2.343 0.003 . 2 . . . A 5 GLN HG2 . 30144 1 47 . 1 1 5 5 GLN HG3 H 1 2.489 0.006 . 2 . . . A 5 GLN HG3 . 30144 1 48 . 1 1 5 5 GLN HE21 H 1 7.574 0.002 . 1 . . . A 5 GLN HE21 . 30144 1 49 . 1 1 5 5 GLN HE22 H 1 6.819 0.003 . 1 . . . A 5 GLN HE22 . 30144 1 50 . 1 1 5 5 GLN CA C 13 59.256 0.000 . 1 . . . A 5 GLN CA . 30144 1 51 . 1 1 5 5 GLN CG C 13 34.188 0.000 . 1 . . . A 5 GLN CG . 30144 1 52 . 1 1 5 5 GLN N N 15 119.095 0.000 . 1 . . . A 5 GLN N . 30144 1 53 . 1 1 5 5 GLN NE2 N 15 111.480 0.007 . 1 . . . A 5 GLN NE2 . 30144 1 54 . 1 1 6 6 ARG H H 1 7.853 0.002 . 1 . . . A 6 ARG H . 30144 1 55 . 1 1 6 6 ARG HA H 1 4.059 0.004 . 1 . . . A 6 ARG HA . 30144 1 56 . 1 1 6 6 ARG HB2 H 1 1.940 0.003 . 1 . . . A 6 ARG HB2 . 30144 1 57 . 1 1 6 6 ARG HB3 H 1 1.940 0.003 . 1 . . . A 6 ARG HB3 . 30144 1 58 . 1 1 6 6 ARG HG2 H 1 1.606 0.002 . 2 . . . A 6 ARG HG2 . 30144 1 59 . 1 1 6 6 ARG HG3 H 1 1.784 0.003 . 2 . . . A 6 ARG HG3 . 30144 1 60 . 1 1 6 6 ARG HD2 H 1 3.219 0.002 . 1 . . . A 6 ARG HD2 . 30144 1 61 . 1 1 6 6 ARG HD3 H 1 3.219 0.002 . 1 . . . A 6 ARG HD3 . 30144 1 62 . 1 1 6 6 ARG HE H 1 7.327 0.002 . 1 . . . A 6 ARG HE . 30144 1 63 . 1 1 6 6 ARG CA C 13 59.485 0.000 . 1 . . . A 6 ARG CA . 30144 1 64 . 1 1 6 6 ARG CD C 13 43.283 0.000 . 1 . . . A 6 ARG CD . 30144 1 65 . 1 1 7 7 LYS H H 1 7.738 0.003 . 1 . . . A 7 LYS H . 30144 1 66 . 1 1 7 7 LYS HA H 1 4.081 0.007 . 1 . . . A 7 LYS HA . 30144 1 67 . 1 1 7 7 LYS HB2 H 1 1.902 0.000 . 2 . . . A 7 LYS HB2 . 30144 1 68 . 1 1 7 7 LYS HB3 H 1 1.904 0.005 . 2 . . . A 7 LYS HB3 . 30144 1 69 . 1 1 7 7 LYS HG2 H 1 1.457 0.002 . 1 . . . A 7 LYS HG2 . 30144 1 70 . 1 1 7 7 LYS HG3 H 1 1.457 0.001 . 1 . . . A 7 LYS HG3 . 30144 1 71 . 1 1 7 7 LYS HE2 H 1 2.961 0.000 . 1 . . . A 7 LYS HE2 . 30144 1 72 . 1 1 7 7 LYS HE3 H 1 2.961 0.000 . 1 . . . A 7 LYS HE3 . 30144 1 73 . 1 1 7 7 LYS CA C 13 58.747 0.000 . 1 . . . A 7 LYS CA . 30144 1 74 . 1 1 7 7 LYS CB C 13 32.173 0.000 . 1 . . . A 7 LYS CB . 30144 1 75 . 1 1 7 7 LYS CG C 13 25.212 0.000 . 1 . . . A 7 LYS CG . 30144 1 76 . 1 1 7 7 LYS N N 15 119.007 0.000 . 1 . . . A 7 LYS N . 30144 1 77 . 1 1 8 8 CYS H H 1 8.445 0.003 . 1 . . . A 8 CYS H . 30144 1 78 . 1 1 8 8 CYS HA H 1 4.437 0.002 . 1 . . . A 8 CYS HA . 30144 1 79 . 1 1 8 8 CYS HB2 H 1 3.168 0.003 . 2 . . . A 8 CYS HB2 . 30144 1 80 . 1 1 8 8 CYS HB3 H 1 3.301 0.004 . 2 . . . A 8 CYS HB3 . 30144 1 81 . 1 1 8 8 CYS CA C 13 56.920 0.000 . 1 . . . A 8 CYS CA . 30144 1 82 . 1 1 8 8 CYS CB C 13 36.067 0.002 . 1 . . . A 8 CYS CB . 30144 1 83 . 1 1 8 8 CYS N N 15 118.244 0.000 . 1 . . . A 8 CYS N . 30144 1 84 . 1 1 9 9 LYS H H 1 7.979 0.003 . 1 . . . A 9 LYS H . 30144 1 85 . 1 1 9 9 LYS HA H 1 4.161 0.004 . 1 . . . A 9 LYS HA . 30144 1 86 . 1 1 9 9 LYS HB2 H 1 1.949 0.003 . 1 . . . A 9 LYS HB2 . 30144 1 87 . 1 1 9 9 LYS HB3 H 1 1.949 0.003 . 1 . . . A 9 LYS HB3 . 30144 1 88 . 1 1 9 9 LYS HG2 H 1 1.517 0.001 . 1 . . . A 9 LYS HG2 . 30144 1 89 . 1 1 9 9 LYS HG3 H 1 1.517 0.001 . 1 . . . A 9 LYS HG3 . 30144 1 90 . 1 1 9 9 LYS HD2 H 1 1.703 0.000 . 1 . . . A 9 LYS HD2 . 30144 1 91 . 1 1 9 9 LYS HD3 H 1 1.703 0.000 . 1 . . . A 9 LYS HD3 . 30144 1 92 . 1 1 9 9 LYS HE2 H 1 2.990 0.001 . 1 . . . A 9 LYS HE2 . 30144 1 93 . 1 1 9 9 LYS HE3 H 1 2.990 0.001 . 1 . . . A 9 LYS HE3 . 30144 1 94 . 1 1 9 9 LYS HZ1 H 1 7.554 0.001 . 1 . . . A 9 LYS HZ1 . 30144 1 95 . 1 1 9 9 LYS HZ2 H 1 7.554 0.001 . 1 . . . A 9 LYS HZ2 . 30144 1 96 . 1 1 9 9 LYS HZ3 H 1 7.554 0.001 . 1 . . . A 9 LYS HZ3 . 30144 1 97 . 1 1 9 9 LYS CG C 13 24.995 0.000 . 1 . . . A 9 LYS CG . 30144 1 98 . 1 1 10 10 GLU H H 1 7.603 0.002 . 1 . . . A 10 GLU H . 30144 1 99 . 1 1 10 10 GLU HA H 1 4.155 0.005 . 1 . . . A 10 GLU HA . 30144 1 100 . 1 1 10 10 GLU HB2 H 1 2.172 0.003 . 1 . . . A 10 GLU HB2 . 30144 1 101 . 1 1 10 10 GLU HB3 H 1 2.172 0.003 . 1 . . . A 10 GLU HB3 . 30144 1 102 . 1 1 10 10 GLU HG2 H 1 2.489 0.002 . 2 . . . A 10 GLU HG2 . 30144 1 103 . 1 1 10 10 GLU HG3 H 1 2.591 0.001 . 2 . . . A 10 GLU HG3 . 30144 1 104 . 1 1 10 10 GLU N N 15 116.303 0.000 . 1 . . . A 10 GLU N . 30144 1 105 . 1 1 11 11 LEU H H 1 7.695 0.002 . 1 . . . A 11 LEU H . 30144 1 106 . 1 1 11 11 LEU HA H 1 4.150 0.004 . 1 . . . A 11 LEU HA . 30144 1 107 . 1 1 11 11 LEU HB2 H 1 1.552 0.007 . 2 . . . A 11 LEU HB2 . 30144 1 108 . 1 1 11 11 LEU HB3 H 1 1.818 0.002 . 2 . . . A 11 LEU HB3 . 30144 1 109 . 1 1 11 11 LEU HD11 H 1 0.846 0.007 . 1 . . . A 11 LEU HD11 . 30144 1 110 . 1 1 11 11 LEU HD12 H 1 0.846 0.007 . 1 . . . A 11 LEU HD12 . 30144 1 111 . 1 1 11 11 LEU HD13 H 1 0.846 0.007 . 1 . . . A 11 LEU HD13 . 30144 1 112 . 1 1 11 11 LEU HD21 H 1 0.827 0.008 . 1 . . . A 11 LEU HD21 . 30144 1 113 . 1 1 11 11 LEU HD22 H 1 0.827 0.008 . 1 . . . A 11 LEU HD22 . 30144 1 114 . 1 1 11 11 LEU HD23 H 1 0.827 0.008 . 1 . . . A 11 LEU HD23 . 30144 1 115 . 1 1 11 11 LEU CB C 13 43.030 0.004 . 1 . . . A 11 LEU CB . 30144 1 116 . 1 1 11 11 LEU CD1 C 13 25.336 0.000 . 1 . . . A 11 LEU CD1 . 30144 1 117 . 1 1 11 11 LEU CD2 C 13 23.549 0.000 . 1 . . . A 11 LEU CD2 . 30144 1 118 . 1 1 11 11 LEU N N 15 119.093 0.000 . 1 . . . A 11 LEU N . 30144 1 119 . 1 1 12 12 DAS H H 1 7.316 0.002 . 1 . . . A 12 DAS H . 30144 1 120 . 1 1 12 12 DAS N N 15 117.569 0.000 . 1 . . . A 12 DAS N . 30144 1 121 . 1 1 12 12 DAS CA C 13 54.421 0.000 . 1 . . . A 12 DAS CA . 30144 1 122 . 1 1 12 12 DAS HA H 1 4.651 0.006 . 1 . . . A 12 DAS HA . 30144 1 123 . 1 1 12 12 DAS HB2 H 1 2.936 0.003 . 1 . . . A 12 DAS HB2 . 30144 1 124 . 1 1 12 12 DAS HB3 H 1 2.936 0.003 . 1 . . . A 12 DAS HB3 . 30144 1 125 . 1 1 13 13 THR H H 1 8.842 0.003 . 1 . . . A 13 THR H . 30144 1 126 . 1 1 13 13 THR HA H 1 4.451 0.003 . 1 . . . A 13 THR HA . 30144 1 127 . 1 1 13 13 THR HB H 1 4.589 0.003 . 1 . . . A 13 THR HB . 30144 1 128 . 1 1 13 13 THR HG21 H 1 1.168 0.001 . 1 . . . A 13 THR HG21 . 30144 1 129 . 1 1 13 13 THR HG22 H 1 1.168 0.001 . 1 . . . A 13 THR HG22 . 30144 1 130 . 1 1 13 13 THR HG23 H 1 1.168 0.001 . 1 . . . A 13 THR HG23 . 30144 1 131 . 1 1 13 13 THR CA C 13 61.037 0.000 . 1 . . . A 13 THR CA . 30144 1 132 . 1 1 13 13 THR CB C 13 69.447 0.000 . 1 . . . A 13 THR CB . 30144 1 133 . 1 1 13 13 THR CG2 C 13 21.193 0.000 . 1 . . . A 13 THR CG2 . 30144 1 134 . 1 1 13 13 THR N N 15 116.759 0.000 . 1 . . . A 13 THR N . 30144 1 135 . 1 1 14 14 ARG H H 1 8.011 0.002 . 1 . . . A 14 ARG H . 30144 1 136 . 1 1 14 14 ARG HA H 1 4.513 0.002 . 1 . . . A 14 ARG HA . 30144 1 137 . 1 1 14 14 ARG HB2 H 1 1.917 0.003 . 2 . . . A 14 ARG HB2 . 30144 1 138 . 1 1 14 14 ARG HB3 H 1 2.000 0.004 . 2 . . . A 14 ARG HB3 . 30144 1 139 . 1 1 14 14 ARG HG2 H 1 1.799 0.005 . 1 . . . A 14 ARG HG2 . 30144 1 140 . 1 1 14 14 ARG HG3 H 1 1.799 0.005 . 1 . . . A 14 ARG HG3 . 30144 1 141 . 1 1 14 14 ARG HD2 H 1 3.276 0.003 . 2 . . . A 14 ARG HD2 . 30144 1 142 . 1 1 14 14 ARG HD3 H 1 3.334 0.005 . 2 . . . A 14 ARG HD3 . 30144 1 143 . 1 1 14 14 ARG HE H 1 7.260 0.001 . 1 . . . A 14 ARG HE . 30144 1 144 . 1 1 14 14 ARG CA C 13 56.168 0.000 . 1 . . . A 14 ARG CA . 30144 1 145 . 1 1 14 14 ARG CB C 13 29.341 0.000 . 1 . . . A 14 ARG CB . 30144 1 146 . 1 1 14 14 ARG CG C 13 27.706 0.000 . 1 . . . A 14 ARG CG . 30144 1 147 . 1 1 14 14 ARG CD C 13 43.613 0.013 . 1 . . . A 14 ARG CD . 30144 1 148 . 1 1 14 14 ARG N N 15 124.904 0.000 . 1 . . . A 14 ARG N . 30144 1 149 . 1 1 15 15 DPR CA C 13 65.124 0.000 . 1 . . . A 15 DPR CA . 30144 1 150 . 1 1 15 15 DPR CB C 13 31.885 0.000 . 1 . . . A 15 DPR CB . 30144 1 151 . 1 1 15 15 DPR CD C 13 50.709 0.011 . 1 . . . A 15 DPR CD . 30144 1 152 . 1 1 15 15 DPR HA H 1 4.381 0.003 . 1 . . . A 15 DPR HA . 30144 1 153 . 1 1 15 15 DPR HB2 H 1 2.404 0.003 . 2 . . . A 15 DPR HB2 . 30144 1 154 . 1 1 15 15 DPR HB3 H 1 2.052 0.007 . 2 . . . A 15 DPR HB3 . 30144 1 155 . 1 1 15 15 DPR HD2 H 1 4.101 0.002 . 2 . . . A 15 DPR HD2 . 30144 1 156 . 1 1 15 15 DPR HD3 H 1 3.743 0.003 . 2 . . . A 15 DPR HD3 . 30144 1 157 . 1 1 15 15 DPR HG2 H 1 2.109 0.001 . 1 . . . A 15 DPR HG2 . 30144 1 158 . 1 1 15 15 DPR HG3 H 1 2.109 0.001 . 1 . . . A 15 DPR HG3 . 30144 1 159 . 1 1 16 16 DGL H H 1 8.309 0.001 . 1 . . . A 16 DGL H . 30144 1 160 . 1 1 16 16 DGL N N 15 117.123 0.000 . 1 . . . A 16 DGL N . 30144 1 161 . 1 1 16 16 DGL CA C 13 57.904 0.000 . 1 . . . A 16 DGL CA . 30144 1 162 . 1 1 16 16 DGL HA H 1 4.215 0.002 . 1 . . . A 16 DGL HA . 30144 1 163 . 1 1 16 16 DGL HB2 H 1 2.171 0.002 . 1 . . . A 16 DGL HB2 . 30144 1 164 . 1 1 16 16 DGL HB3 H 1 2.171 0.002 . 1 . . . A 16 DGL HB3 . 30144 1 165 . 1 1 16 16 DGL HG2 H 1 2.527 0.003 . 1 . . . A 16 DGL HG2 . 30144 1 166 . 1 1 16 16 DGL HG3 H 1 2.527 0.003 . 1 . . . A 16 DGL HG3 . 30144 1 167 . 1 1 17 17 DAL H H 1 7.487 0.002 . 1 . . . A 17 DAL H . 30144 1 168 . 1 1 17 17 DAL N N 15 121.796 0.000 . 1 . . . A 17 DAL N . 30144 1 169 . 1 1 17 17 DAL CB C 13 19.431 0.000 . 1 . . . A 17 DAL CB . 30144 1 170 . 1 1 17 17 DAL HA H 1 4.167 0.003 . 1 . . . A 17 DAL HA . 30144 1 171 . 1 1 17 17 DAL HB1 H 1 1.459 0.002 . 1 . . . A 17 DAL HB1 . 30144 1 172 . 1 1 17 17 DAL HB2 H 1 1.459 0.002 . 1 . . . A 17 DAL HB2 . 30144 1 173 . 1 1 17 17 DAL HB3 H 1 1.459 0.002 . 1 . . . A 17 DAL HB3 . 30144 1 174 . 1 1 18 18 DGL H H 1 7.854 0.003 . 1 . . . A 18 DGL H . 30144 1 175 . 1 1 18 18 DGL CA C 13 59.592 0.000 . 1 . . . A 18 DGL CA . 30144 1 176 . 1 1 18 18 DGL HA H 1 3.766 0.004 . 1 . . . A 18 DGL HA . 30144 1 177 . 1 1 18 18 DGL HB2 H 1 2.101 0.002 . 1 . . . A 18 DGL HB2 . 30144 1 178 . 1 1 18 18 DGL HB3 H 1 2.101 0.002 . 1 . . . A 18 DGL HB3 . 30144 1 179 . 1 1 18 18 DGL HG2 H 1 2.418 0.004 . 2 . . . A 18 DGL HG2 . 30144 1 180 . 1 1 18 18 DGL HG3 H 1 2.392 0.004 . 2 . . . A 18 DGL HG3 . 30144 1 181 . 1 1 19 19 DAR H H 1 7.903 0.001 . 1 . . . A 19 DAR H . 30144 1 182 . 1 1 19 19 DAR N N 15 117.996 0.000 . 1 . . . A 19 DAR N . 30144 1 183 . 1 1 19 19 DAR CA C 13 59.323 0.000 . 1 . . . A 19 DAR CA . 30144 1 184 . 1 1 19 19 DAR CG C 13 27.259 0.008 . 1 . . . A 19 DAR CG . 30144 1 185 . 1 1 19 19 DAR HA H 1 4.000 0.003 . 1 . . . A 19 DAR HA . 30144 1 186 . 1 1 19 19 DAR HB2 H 1 1.882 0.003 . 1 . . . A 19 DAR HB2 . 30144 1 187 . 1 1 19 19 DAR HB3 H 1 1.882 0.003 . 1 . . . A 19 DAR HB3 . 30144 1 188 . 1 1 19 19 DAR HD2 H 1 3.222 0.000 . 1 . . . A 19 DAR HD2 . 30144 1 189 . 1 1 19 19 DAR HD3 H 1 3.222 0.000 . 1 . . . A 19 DAR HD3 . 30144 1 190 . 1 1 19 19 DAR HE H 1 7.288 0.002 . 1 . . . A 19 DAR HE . 30144 1 191 . 1 1 19 19 DAR HG2 H 1 1.708 0.007 . 2 . . . A 19 DAR HG2 . 30144 1 192 . 1 1 19 19 DAR HG3 H 1 1.572 0.006 . 2 . . . A 19 DAR HG3 . 30144 1 193 . 1 1 20 20 DLY H H 1 7.796 0.003 . 1 . . . A 20 DLY H . 30144 1 194 . 1 1 20 20 DLY N N 15 119.732 0.000 . 1 . . . A 20 DLY N . 30144 1 195 . 1 1 20 20 DLY CA C 13 58.875 0.000 . 1 . . . A 20 DLY CA . 30144 1 196 . 1 1 20 20 DLY CG C 13 24.910 0.000 . 1 . . . A 20 DLY CG . 30144 1 197 . 1 1 20 20 DLY HA H 1 4.099 0.004 . 1 . . . A 20 DLY HA . 30144 1 198 . 1 1 20 20 DLY HB2 H 1 1.888 0.005 . 1 . . . A 20 DLY HB2 . 30144 1 199 . 1 1 20 20 DLY HB3 H 1 1.888 0.005 . 1 . . . A 20 DLY HB3 . 30144 1 200 . 1 1 20 20 DLY HD2 H 1 1.676 0.000 . 1 . . . A 20 DLY HD2 . 30144 1 201 . 1 1 20 20 DLY HD3 H 1 1.676 0.000 . 1 . . . A 20 DLY HD3 . 30144 1 202 . 1 1 20 20 DLY HG2 H 1 1.515 0.004 . 1 . . . A 20 DLY HG2 . 30144 1 203 . 1 1 20 20 DLY HG3 H 1 1.396 0.005 . 1 . . . A 20 DLY HG3 . 30144 1 204 . 1 1 21 21 DCY H H 1 8.436 0.002 . 1 . . . A 21 DCY H . 30144 1 205 . 1 1 21 21 DCY N N 15 117.019 0.000 . 1 . . . A 21 DCY N . 30144 1 206 . 1 1 21 21 DCY CA C 13 57.600 0.000 . 1 . . . A 21 DCY CA . 30144 1 207 . 1 1 21 21 DCY CB C 13 37.240 0.009 . 1 . . . A 21 DCY CB . 30144 1 208 . 1 1 21 21 DCY HA H 1 4.356 0.004 . 1 . . . A 21 DCY HA . 30144 1 209 . 1 1 21 21 DCY HB2 H 1 3.051 0.013 . 1 . . . A 21 DCY HB2 . 30144 1 210 . 1 1 21 21 DCY HB3 H 1 3.023 0.017 . 1 . . . A 21 DCY HB3 . 30144 1 211 . 1 1 22 22 DAR H H 1 7.969 0.002 . 1 . . . A 22 DAR H . 30144 1 212 . 1 1 22 22 DAR CA C 13 59.449 0.000 . 1 . . . A 22 DAR CA . 30144 1 213 . 1 1 22 22 DAR CB C 13 29.980 0.000 . 1 . . . A 22 DAR CB . 30144 1 214 . 1 1 22 22 DAR CG C 13 27.706 0.000 . 1 . . . A 22 DAR CG . 30144 1 215 . 1 1 22 22 DAR HA H 1 4.057 0.003 . 1 . . . A 22 DAR HA . 30144 1 216 . 1 1 22 22 DAR HB2 H 1 1.937 0.000 . 1 . . . A 22 DAR HB2 . 30144 1 217 . 1 1 22 22 DAR HB3 H 1 1.937 0.000 . 1 . . . A 22 DAR HB3 . 30144 1 218 . 1 1 22 22 DAR HD2 H 1 3.221 0.003 . 1 . . . A 22 DAR HD2 . 30144 1 219 . 1 1 22 22 DAR HD3 H 1 3.221 0.003 . 1 . . . A 22 DAR HD3 . 30144 1 220 . 1 1 22 22 DAR HG2 H 1 1.792 0.002 . 1 . . . A 22 DAR HG2 . 30144 1 221 . 1 1 22 22 DAR HG3 H 1 1.654 0.000 . 1 . . . A 22 DAR HG3 . 30144 1 222 . 1 1 23 23 DGL H H 1 7.921 0.002 . 1 . . . A 23 DGL H . 30144 1 223 . 1 1 23 23 DGL N N 15 118.349 0.000 . 1 . . . A 23 DGL N . 30144 1 224 . 1 1 23 23 DGL HA H 1 4.146 0.003 . 1 . . . A 23 DGL HA . 30144 1 225 . 1 1 23 23 DGL HB2 H 1 2.175 0.002 . 1 . . . A 23 DGL HB2 . 30144 1 226 . 1 1 23 23 DGL HB3 H 1 2.175 0.002 . 1 . . . A 23 DGL HB3 . 30144 1 227 . 1 1 23 23 DGL HG2 H 1 2.577 0.008 . 1 . . . A 23 DGL HG2 . 30144 1 228 . 1 1 23 23 DGL HG3 H 1 2.473 0.000 . 1 . . . A 23 DGL HG3 . 30144 1 229 . 1 1 24 24 DGL H H 1 7.976 0.003 . 1 . . . A 24 DGL H . 30144 1 230 . 1 1 24 24 DGL HA H 1 4.150 0.002 . 1 . . . A 24 DGL HA . 30144 1 231 . 1 1 24 24 DGL HB2 H 1 2.144 0.005 . 1 . . . A 24 DGL HB2 . 30144 1 232 . 1 1 24 24 DGL HB3 H 1 2.144 0.005 . 1 . . . A 24 DGL HB3 . 30144 1 233 . 1 1 24 24 DGL HG2 H 1 2.632 0.009 . 1 . . . A 24 DGL HG2 . 30144 1 234 . 1 1 24 24 DGL HG3 H 1 2.530 0.006 . 1 . . . A 24 DGL HG3 . 30144 1 235 . 1 1 25 25 SER H H 1 7.262 0.004 . 1 . . . A 25 SER H . 30144 1 236 . 1 1 25 25 SER HA H 1 4.200 0.001 . 1 . . . A 25 SER HA . 30144 1 237 . 1 1 25 25 SER HB2 H 1 3.676 0.005 . 1 . . . A 25 SER HB2 . 30144 1 238 . 1 1 25 25 SER HB3 H 1 4.132 0.003 . 1 . . . A 25 SER HB3 . 30144 1 239 . 1 1 25 25 SER CB C 13 63.723 0.008 . 1 . . . A 25 SER CB . 30144 1 240 . 1 1 25 25 SER N N 15 111.259 0.000 . 1 . . . A 25 SER N . 30144 1 241 . 1 1 26 26 ASP H H 1 8.567 0.002 . 1 . . . A 26 ASP H . 30144 1 242 . 1 1 26 26 ASP HA H 1 4.768 0.006 . 1 . . . A 26 ASP HA . 30144 1 243 . 1 1 26 26 ASP HB2 H 1 2.925 0.003 . 1 . . . A 26 ASP HB2 . 30144 1 244 . 1 1 26 26 ASP HB3 H 1 2.925 0.003 . 1 . . . A 26 ASP HB3 . 30144 1 245 . 1 1 26 26 ASP CB C 13 41.871 0.000 . 1 . . . A 26 ASP CB . 30144 1 246 . 1 1 26 26 ASP N N 15 123.307 0.000 . 1 . . . A 26 ASP N . 30144 1 stop_ save_