################################### # 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 52753 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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-15N HMQC' . . . 52753 1 2 '2D HNCACB' . . . 52753 1 3 '2D HN(CO)CA' . . . 52753 1 4 '2D HNCO' . . . 52753 1 5 '2D HNCA' . . . 52753 1 6 '2D C(CO)NH' . . . 52753 1 7 '2D TOCSY-NHSQC' . . . 52753 1 8 '2D CCH-TOCSY aliph' . . . 52753 1 9 '2D 1H-13C HSQC aliphatic' . . . 52753 1 10 '2D 1H-13C HSQC aromatic' . . . 52753 1 11 '2D 1H-13C HSQC ct' . . . 52753 1 12 '2D H(CCO)NH' . . . 52753 1 13 '2D HN(CO)CACB' . . . 52753 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 $software_1 . . 52753 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 1 1 TYR HA H 1 4.117 0.02 . 1 . . . . . 1 TYR HA . 52753 1 2 . 1 . 1 1 1 TYR HB2 H 1 3.020 0.02 . 2 . . . . . 1 TYR HB2 . 52753 1 3 . 1 . 1 1 1 TYR HB3 H 1 3.076 0.02 . 2 . . . . . 1 TYR HB3 . 52753 1 4 . 1 . 1 1 1 TYR CA C 13 57.621 0.2 . 1 . . . . . 1 TYR CA . 52753 1 5 . 1 . 1 1 1 TYR CB C 13 39.551 0.2 . 1 . . . . . 1 TYR CB . 52753 1 6 . 1 . 1 2 2 GLY HA2 H 1 3.877 0.02 . 2 . . . . . 2 GLY QA . 52753 1 7 . 1 . 1 2 2 GLY HA3 H 1 3.877 0.02 . 2 . . . . . 2 GLY QA . 52753 1 8 . 1 . 1 2 2 GLY CA C 13 45.248 0.2 . 1 . . . . . 2 GLY CA . 52753 1 9 . 1 . 1 3 3 GLY H H 1 7.949 0.02 . 1 . . . . . 3 GLY H . 52753 1 10 . 1 . 1 3 3 GLY HA2 H 1 3.846 0.02 . 2 . . . . . 3 GLY QA . 52753 1 11 . 1 . 1 3 3 GLY HA3 H 1 3.846 0.02 . 2 . . . . . 3 GLY QA . 52753 1 12 . 1 . 1 3 3 GLY C C 13 173.697 0.2 . 1 . . . . . 3 GLY C . 52753 1 13 . 1 . 1 3 3 GLY CA C 13 45.197 0.2 . 1 . . . . . 3 GLY CA . 52753 1 14 . 1 . 1 3 3 GLY N N 15 108.580 0.2 . 1 . . . . . 3 GLY N . 52753 1 15 . 1 . 1 4 4 PHE H H 1 8.102 0.02 . 1 . . . . . 4 PHE H . 52753 1 16 . 1 . 1 4 4 PHE HA H 1 4.581 0.02 . 1 . . . . . 4 PHE HA . 52753 1 17 . 1 . 1 4 4 PHE HB2 H 1 3.030 0.02 . 2 . . . . . 4 PHE HB2 . 52753 1 18 . 1 . 1 4 4 PHE HB3 H 1 3.081 0.02 . 2 . . . . . 4 PHE HB3 . 52753 1 19 . 1 . 1 4 4 PHE C C 13 175.627 0.2 . 1 . . . . . 4 PHE C . 52753 1 20 . 1 . 1 4 4 PHE CA C 13 57.851 0.2 . 1 . . . . . 4 PHE CA . 52753 1 21 . 1 . 1 4 4 PHE CB C 13 39.500 0.2 . 1 . . . . . 4 PHE CB . 52753 1 22 . 1 . 1 4 4 PHE N N 15 119.820 0.2 . 1 . . . . . 4 PHE N . 52753 1 23 . 1 . 1 5 5 LEU H H 1 8.181 0.02 . 1 . . . . . 5 LEU H . 52753 1 24 . 1 . 1 5 5 LEU HA H 1 4.280 0.02 . 1 . . . . . 5 LEU HA . 52753 1 25 . 1 . 1 5 5 LEU HB2 H 1 1.559 0.02 . 2 . . . . . 5 LEU HB2 . 52753 1 26 . 1 . 1 5 5 LEU HB3 H 1 1.508 0.02 . 2 . . . . . 5 LEU HB3 . 52753 1 27 . 1 . 1 5 5 LEU HG H 1 1.550 0.02 . 1 . . . . . 5 LEU HG . 52753 1 28 . 1 . 1 5 5 LEU HD11 H 1 0.828 0.02 . 1 . . . . . 5 LEU HD1 . 52753 1 29 . 1 . 1 5 5 LEU HD12 H 1 0.828 0.02 . 1 . . . . . 5 LEU HD1 . 52753 1 30 . 1 . 1 5 5 LEU HD13 H 1 0.828 0.02 . 1 . . . . . 5 LEU HD1 . 52753 1 31 . 1 . 1 5 5 LEU HD21 H 1 0.887 0.02 . 1 . . . . . 5 LEU HD2 . 52753 1 32 . 1 . 1 5 5 LEU HD22 H 1 0.887 0.02 . 1 . . . . . 5 LEU HD2 . 52753 1 33 . 1 . 1 5 5 LEU HD23 H 1 0.887 0.02 . 1 . . . . . 5 LEU HD2 . 52753 1 34 . 1 . 1 5 5 LEU C C 13 176.685 0.2 . 1 . . . . . 5 LEU C . 52753 1 35 . 1 . 1 5 5 LEU CA C 13 55.100 0.2 . 1 . . . . . 5 LEU CA . 52753 1 36 . 1 . 1 5 5 LEU CB C 13 42.500 0.2 . 1 . . . . . 5 LEU CB . 52753 1 37 . 1 . 1 5 5 LEU CG C 13 27.287 0.2 . 1 . . . . . 5 LEU CG . 52753 1 38 . 1 . 1 5 5 LEU CD1 C 13 23.620 0.2 . 1 . . . . . 5 LEU CD1 . 52753 1 39 . 1 . 1 5 5 LEU CD2 C 13 24.910 0.2 . 1 . . . . . 5 LEU CD2 . 52753 1 40 . 1 . 1 5 5 LEU N N 15 123.969 0.2 . 1 . . . . . 5 LEU N . 52753 1 41 . 1 . 1 6 6 ARG H H 1 8.203 0.02 . 1 . . . . . 6 ARG H . 52753 1 42 . 1 . 1 6 6 ARG HA H 1 4.266 0.02 . 1 . . . . . 6 ARG HA . 52753 1 43 . 1 . 1 6 6 ARG HB2 H 1 1.730 0.02 . 2 . . . . . 6 ARG HB2 . 52753 1 44 . 1 . 1 6 6 ARG HB3 H 1 1.797 0.02 . 2 . . . . . 6 ARG HB3 . 52753 1 45 . 1 . 1 6 6 ARG HG2 H 1 1.630 0.02 . 1 . . . . . 6 ARG QG . 52753 1 46 . 1 . 1 6 6 ARG HG3 H 1 1.630 0.02 . 1 . . . . . 6 ARG QG . 52753 1 47 . 1 . 1 6 6 ARG HD2 H 1 3.160 0.02 . 1 . . . . . 6 ARG QD . 52753 1 48 . 1 . 1 6 6 ARG HD3 H 1 3.160 0.02 . 1 . . . . . 6 ARG QD . 52753 1 49 . 1 . 1 6 6 ARG C C 13 175.848 0.2 . 1 . . . . . 6 ARG C . 52753 1 50 . 1 . 1 6 6 ARG CA C 13 56.166 0.2 . 1 . . . . . 6 ARG CA . 52753 1 51 . 1 . 1 6 6 ARG CB C 13 30.700 0.2 . 1 . . . . . 6 ARG CB . 52753 1 52 . 1 . 1 6 6 ARG CG C 13 27.100 0.2 . 1 . . . . . 6 ARG CG . 52753 1 53 . 1 . 1 6 6 ARG CD C 13 43.500 0.2 . 1 . . . . . 6 ARG CD . 52753 1 54 . 1 . 1 6 6 ARG N N 15 122.059 0.2 . 1 . . . . . 6 ARG N . 52753 1 55 . 1 . 1 7 7 ARG H H 1 8.296 0.02 . 1 . . . . . 7 ARG H . 52753 1 56 . 1 . 1 7 7 ARG HA H 1 4.312 0.02 . 1 . . . . . 7 ARG HA . 52753 1 57 . 1 . 1 7 7 ARG HB2 H 1 1.730 0.02 . 2 . . . . . 7 ARG HB2 . 52753 1 58 . 1 . 1 7 7 ARG HB3 H 1 1.797 0.02 . 2 . . . . . 7 ARG HB3 . 52753 1 59 . 1 . 1 7 7 ARG HG2 H 1 1.630 0.02 . 1 . . . . . 7 ARG QG . 52753 1 60 . 1 . 1 7 7 ARG HG3 H 1 1.630 0.02 . 1 . . . . . 7 ARG QG . 52753 1 61 . 1 . 1 7 7 ARG HD2 H 1 3.160 0.02 . 1 . . . . . 7 ARG QD . 52753 1 62 . 1 . 1 7 7 ARG HD3 H 1 3.160 0.02 . 1 . . . . . 7 ARG QD . 52753 1 63 . 1 . 1 7 7 ARG C C 13 175.976 0.2 . 1 . . . . . 7 ARG C . 52753 1 64 . 1 . 1 7 7 ARG CA C 13 56.092 0.2 . 1 . . . . . 7 ARG CA . 52753 1 65 . 1 . 1 7 7 ARG CB C 13 31.000 0.2 . 1 . . . . . 7 ARG CB . 52753 1 66 . 1 . 1 7 7 ARG CG C 13 27.100 0.2 . 1 . . . . . 7 ARG CG . 52753 1 67 . 1 . 1 7 7 ARG CD C 13 43.500 0.2 . 1 . . . . . 7 ARG CD . 52753 1 68 . 1 . 1 7 7 ARG N N 15 122.545 0.2 . 1 . . . . . 7 ARG N . 52753 1 69 . 1 . 1 8 8 ILE H H 1 8.215 0.02 . 1 . . . . . 8 ILE H . 52753 1 70 . 1 . 1 8 8 ILE HA H 1 4.143 0.02 . 1 . . . . . 8 ILE HA . 52753 1 71 . 1 . 1 8 8 ILE HB H 1 1.817 0.02 . 1 . . . . . 8 ILE HB . 52753 1 72 . 1 . 1 8 8 ILE HG12 H 1 1.435 0.02 . 2 . . . . . 8 ILE HG12 . 52753 1 73 . 1 . 1 8 8 ILE HG13 H 1 1.160 0.02 . 2 . . . . . 8 ILE HG13 . 52753 1 74 . 1 . 1 8 8 ILE HG21 H 1 0.858 0.02 . 1 . . . . . 8 ILE HG2 . 52753 1 75 . 1 . 1 8 8 ILE HG22 H 1 0.858 0.02 . 1 . . . . . 8 ILE HG2 . 52753 1 76 . 1 . 1 8 8 ILE HG23 H 1 0.858 0.02 . 1 . . . . . 8 ILE HG2 . 52753 1 77 . 1 . 1 8 8 ILE HD11 H 1 0.827 0.02 . 1 . . . . . 8 ILE HD1 . 52753 1 78 . 1 . 1 8 8 ILE HD12 H 1 0.827 0.02 . 1 . . . . . 8 ILE HD1 . 52753 1 79 . 1 . 1 8 8 ILE HD13 H 1 0.827 0.02 . 1 . . . . . 8 ILE HD1 . 52753 1 80 . 1 . 1 8 8 ILE C C 13 175.848 0.2 . 1 . . . . . 8 ILE C . 52753 1 81 . 1 . 1 8 8 ILE CA C 13 60.882 0.2 . 1 . . . . . 8 ILE CA . 52753 1 82 . 1 . 1 8 8 ILE CB C 13 38.670 0.2 . 1 . . . . . 8 ILE CB . 52753 1 83 . 1 . 1 8 8 ILE CG1 C 13 27.300 0.2 . 1 . . . . . 8 ILE CG1 . 52753 1 84 . 1 . 1 8 8 ILE CG2 C 13 17.760 0.2 . 1 . . . . . 8 ILE CG2 . 52753 1 85 . 1 . 1 8 8 ILE CD1 C 13 12.800 0.2 . 1 . . . . . 8 ILE CD1 . 52753 1 86 . 1 . 1 8 8 ILE N N 15 122.635 0.2 . 1 . . . . . 8 ILE N . 52753 1 87 . 1 . 1 9 9 ARG H H 1 8.407 0.02 . 1 . . . . . 9 ARG H . 52753 1 88 . 1 . 1 9 9 ARG HA H 1 4.613 0.02 . 1 . . . . . 9 ARG HA . 52753 1 89 . 1 . 1 9 9 ARG HB2 H 1 1.710 0.02 . 2 . . . . . 9 ARG HB2 . 52753 1 90 . 1 . 1 9 9 ARG HB3 H 1 1.820 0.02 . 2 . . . . . 9 ARG HB3 . 52753 1 91 . 1 . 1 9 9 ARG HG2 H 1 1.640 0.02 . 1 . . . . . 9 ARG QG . 52753 1 92 . 1 . 1 9 9 ARG HG3 H 1 1.640 0.02 . 1 . . . . . 9 ARG QG . 52753 1 93 . 1 . 1 9 9 ARG HD2 H 1 3.160 0.02 . 1 . . . . . 9 ARG QD . 52753 1 94 . 1 . 1 9 9 ARG HD3 H 1 3.160 0.02 . 1 . . . . . 9 ARG QD . 52753 1 95 . 1 . 1 9 9 ARG CA C 13 53.679 0.2 . 1 . . . . . 9 ARG CA . 52753 1 96 . 1 . 1 9 9 ARG CB C 13 30.200 0.2 . 1 . . . . . 9 ARG CB . 52753 1 97 . 1 . 1 9 9 ARG CG C 13 27.100 0.2 . 1 . . . . . 9 ARG CG . 52753 1 98 . 1 . 1 9 9 ARG CD C 13 43.500 0.2 . 1 . . . . . 9 ARG CD . 52753 1 99 . 1 . 1 9 9 ARG N N 15 126.642 0.2 . 1 . . . . . 9 ARG N . 52753 1 100 . 1 . 1 10 10 PRO HA H 1 4.379 0.02 . 1 . . . . . 10 PRO HA . 52753 1 101 . 1 . 1 10 10 PRO HB2 H 1 2.271 0.02 . 2 . . . . . 10 PRO HB2 . 52753 1 102 . 1 . 1 10 10 PRO HB3 H 1 1.841 0.02 . 2 . . . . . 10 PRO HB3 . 52753 1 103 . 1 . 1 10 10 PRO HG2 H 1 1.984 0.02 . 2 . . . . . 10 PRO HG2 . 52753 1 104 . 1 . 1 10 10 PRO HD2 H 1 3.787 0.02 . 2 . . . . . 10 PRO HD2 . 52753 1 105 . 1 . 1 10 10 PRO HD3 H 1 3.622 0.02 . 2 . . . . . 10 PRO HD3 . 52753 1 106 . 1 . 1 10 10 PRO C C 13 176.452 0.2 . 1 . . . . . 10 PRO C . 52753 1 107 . 1 . 1 10 10 PRO CA C 13 63.035 0.2 . 1 . . . . . 10 PRO CA . 52753 1 108 . 1 . 1 10 10 PRO CB C 13 32.317 0.2 . 1 . . . . . 10 PRO CB . 52753 1 109 . 1 . 1 10 10 PRO CG C 13 27.378 0.2 . 1 . . . . . 10 PRO CG . 52753 1 110 . 1 . 1 10 10 PRO CD C 13 50.750 0.2 . 1 . . . . . 10 PRO CD . 52753 1 111 . 1 . 1 11 11 LYS H H 1 8.367 0.02 . 1 . . . . . 11 LYS H . 52753 1 112 . 1 . 1 11 11 LYS HA H 1 4.215 0.02 . 1 . . . . . 11 LYS HA . 52753 1 113 . 1 . 1 11 11 LYS HB2 H 1 1.761 0.02 . 2 . . . . . 11 LYS HB2 . 52753 1 114 . 1 . 1 11 11 LYS HB3 H 1 1.677 0.02 . 2 . . . . . 11 LYS HB3 . 52753 1 115 . 1 . 1 11 11 LYS HG2 H 1 1.414 0.02 . 2 . . . . . 11 LYS HG2 . 52753 1 116 . 1 . 1 11 11 LYS HG3 H 1 1.356 0.02 . 2 . . . . . 11 LYS HG3 . 52753 1 117 . 1 . 1 11 11 LYS HD2 H 1 1.640 0.02 . 2 . . . . . 11 LYS HD2 . 52753 1 118 . 1 . 1 11 11 LYS HD3 H 1 1.600 0.02 . 2 . . . . . 11 LYS HD3 . 52753 1 119 . 1 . 1 11 11 LYS HE2 H 1 2.920 0.02 . 2 . . . . . 11 LYS HE2 . 52753 1 120 . 1 . 1 11 11 LYS HE3 H 1 2.950 0.02 . 2 . . . . . 11 LYS HE3 . 52753 1 121 . 1 . 1 11 11 LYS C C 13 176.313 0.2 . 1 . . . . . 11 LYS C . 52753 1 122 . 1 . 1 11 11 LYS CA C 13 56.420 0.2 . 1 . . . . . 11 LYS CA . 52753 1 123 . 1 . 1 11 11 LYS CB C 13 33.000 0.2 . 1 . . . . . 11 LYS CB . 52753 1 124 . 1 . 1 11 11 LYS CG C 13 24.830 0.2 . 1 . . . . . 11 LYS CG . 52753 1 125 . 1 . 1 11 11 LYS CD C 13 29.200 0.2 . 1 . . . . . 11 LYS CD . 52753 1 126 . 1 . 1 11 11 LYS CE C 13 42.100 0.2 . 1 . . . . . 11 LYS CE . 52753 1 127 . 1 . 1 11 11 LYS N N 15 121.631 0.2 . 1 . . . . . 11 LYS N . 52753 1 128 . 1 . 1 12 12 LEU H H 1 8.244 0.02 . 1 . . . . . 12 LEU H . 52753 1 129 . 1 . 1 12 12 LEU HA H 1 4.279 0.02 . 1 . . . . . 12 LEU HA . 52753 1 130 . 1 . 1 12 12 LEU HB2 H 1 1.522 0.02 . 2 . . . . . 12 LEU HB2 . 52753 1 131 . 1 . 1 12 12 LEU HB3 H 1 1.366 0.02 . 2 . . . . . 12 LEU HB3 . 52753 1 132 . 1 . 1 12 12 LEU HG H 1 1.500 0.02 . 1 . . . . . 12 LEU HG . 52753 1 133 . 1 . 1 12 12 LEU HD11 H 1 0.830 0.02 . 1 . . . . . 12 LEU HD1 . 52753 1 134 . 1 . 1 12 12 LEU HD12 H 1 0.830 0.02 . 1 . . . . . 12 LEU HD1 . 52753 1 135 . 1 . 1 12 12 LEU HD13 H 1 0.830 0.02 . 1 . . . . . 12 LEU HD1 . 52753 1 136 . 1 . 1 12 12 LEU HD21 H 1 0.889 0.02 . 1 . . . . . 12 LEU HD2 . 52753 1 137 . 1 . 1 12 12 LEU HD22 H 1 0.889 0.02 . 1 . . . . . 12 LEU HD2 . 52753 1 138 . 1 . 1 12 12 LEU HD23 H 1 0.889 0.02 . 1 . . . . . 12 LEU HD2 . 52753 1 139 . 1 . 1 12 12 LEU C C 13 176.940 0.2 . 1 . . . . . 12 LEU C . 52753 1 140 . 1 . 1 12 12 LEU CA C 13 55.049 0.2 . 1 . . . . . 12 LEU CA . 52753 1 141 . 1 . 1 12 12 LEU CB C 13 42.430 0.2 . 1 . . . . . 12 LEU CB . 52753 1 142 . 1 . 1 12 12 LEU CG C 13 27.000 0.2 . 1 . . . . . 12 LEU CG . 52753 1 143 . 1 . 1 12 12 LEU CD1 C 13 23.620 0.2 . 1 . . . . . 12 LEU CD1 . 52753 1 144 . 1 . 1 12 12 LEU CD2 C 13 24.910 0.2 . 1 . . . . . 12 LEU CD2 . 52753 1 145 . 1 . 1 12 12 LEU N N 15 123.780 0.2 . 1 . . . . . 12 LEU N . 52753 1 146 . 1 . 1 13 13 LYS H H 1 8.172 0.02 . 1 . . . . . 13 LYS H . 52753 1 147 . 1 . 1 13 13 LYS HA H 1 4.215 0.02 . 1 . . . . . 13 LYS HA . 52753 1 148 . 1 . 1 13 13 LYS HB2 H 1 1.640 0.02 . 2 . . . . . 13 LYS HB2 . 52753 1 149 . 1 . 1 13 13 LYS HB3 H 1 1.603 0.02 . 2 . . . . . 13 LYS HB3 . 52753 1 150 . 1 . 1 13 13 LYS HG2 H 1 1.220 0.02 . 2 . . . . . 13 LYS HG2 . 52753 1 151 . 1 . 1 13 13 LYS HG3 H 1 1.280 0.02 . 2 . . . . . 13 LYS HG3 . 52753 1 152 . 1 . 1 13 13 LYS HD2 H 1 1.640 0.02 . 2 . . . . . 13 LYS HD2 . 52753 1 153 . 1 . 1 13 13 LYS HD3 H 1 1.600 0.02 . 2 . . . . . 13 LYS HD3 . 52753 1 154 . 1 . 1 13 13 LYS HE2 H 1 2.920 0.02 . 2 . . . . . 13 LYS HE2 . 52753 1 155 . 1 . 1 13 13 LYS HE3 H 1 2.950 0.02 . 2 . . . . . 13 LYS HE3 . 52753 1 156 . 1 . 1 13 13 LYS C C 13 176.003 0.2 . 1 . . . . . 13 LYS C . 52753 1 157 . 1 . 1 13 13 LYS CA C 13 56.420 0.2 . 1 . . . . . 13 LYS CA . 52753 1 158 . 1 . 1 13 13 LYS CB C 13 33.100 0.2 . 1 . . . . . 13 LYS CB . 52753 1 159 . 1 . 1 13 13 LYS CG C 13 24.590 0.2 . 1 . . . . . 13 LYS CG . 52753 1 160 . 1 . 1 13 13 LYS CD C 13 29.200 0.2 . 1 . . . . . 13 LYS CD . 52753 1 161 . 1 . 1 13 13 LYS CE C 13 42.100 0.2 . 1 . . . . . 13 LYS CE . 52753 1 162 . 1 . 1 13 13 LYS N N 15 121.479 0.2 . 1 . . . . . 13 LYS N . 52753 1 163 . 1 . 1 14 14 TRP H H 1 8.069 0.02 . 1 . . . . . 14 TRP H . 52753 1 164 . 1 . 1 14 14 TRP HA H 1 4.679 0.02 . 1 . . . . . 14 TRP HA . 52753 1 165 . 1 . 1 14 14 TRP HB2 H 1 3.204 0.02 . 2 . . . . . 14 TRP HB2 . 52753 1 166 . 1 . 1 14 14 TRP HB3 H 1 3.313 0.02 . 2 . . . . . 14 TRP HB3 . 52753 1 167 . 1 . 1 14 14 TRP HE1 H 1 10.151 0.02 . 1 . . . . . 14 TRP HE1 . 52753 1 168 . 1 . 1 14 14 TRP C C 13 175.546 0.2 . 1 . . . . . 14 TRP C . 52753 1 169 . 1 . 1 14 14 TRP CA C 13 57.002 0.2 . 1 . . . . . 14 TRP CA . 52753 1 170 . 1 . 1 14 14 TRP CB C 13 29.602 0.2 . 1 . . . . . 14 TRP CB . 52753 1 171 . 1 . 1 14 14 TRP N N 15 121.491 0.2 . 1 . . . . . 14 TRP N . 52753 1 172 . 1 . 1 14 14 TRP NE1 N 15 129.440 0.2 . 1 . . . . . 14 TRP NE1 . 52753 1 173 . 1 . 1 15 15 ASP H H 1 8.145 0.02 . 1 . . . . . 15 ASP H . 52753 1 174 . 1 . 1 15 15 ASP HA H 1 4.547 0.02 . 1 . . . . . 15 ASP HA . 52753 1 175 . 1 . 1 15 15 ASP HB2 H 1 2.509 0.02 . 1 . . . . . 15 ASP QB . 52753 1 176 . 1 . 1 15 15 ASP HB3 H 1 2.509 0.02 . 1 . . . . . 15 ASP QB . 52753 1 177 . 1 . 1 15 15 ASP C C 13 175.546 0.2 . 1 . . . . . 15 ASP C . 52753 1 178 . 1 . 1 15 15 ASP CA C 13 54.194 0.2 . 1 . . . . . 15 ASP CA . 52753 1 179 . 1 . 1 15 15 ASP CB C 13 41.118 0.2 . 1 . . . . . 15 ASP CB . 52753 1 180 . 1 . 1 15 15 ASP N N 15 121.390 0.2 . 1 . . . . . 15 ASP N . 52753 1 181 . 1 . 1 16 16 ASN H H 1 8.194 0.02 . 1 . . . . . 16 ASN H . 52753 1 182 . 1 . 1 16 16 ASN HA H 1 4.613 0.02 . 1 . . . . . 16 ASN HA . 52753 1 183 . 1 . 1 16 16 ASN HB2 H 1 2.683 0.02 . 2 . . . . . 16 ASN HB2 . 52753 1 184 . 1 . 1 16 16 ASN HB3 H 1 2.789 0.02 . 2 . . . . . 16 ASN HB3 . 52753 1 185 . 1 . 1 16 16 ASN HD21 H 1 7.570 0.02 . 2 . . . . . 16 ASN HD21 . 52753 1 186 . 1 . 1 16 16 ASN HD22 H 1 6.885 0.02 . 2 . . . . . 16 ASN HD22 . 52753 1 187 . 1 . 1 16 16 ASN C C 13 174.151 0.2 . 1 . . . . . 16 ASN C . 52753 1 188 . 1 . 1 16 16 ASN CA C 13 53.328 0.2 . 1 . . . . . 16 ASN CA . 52753 1 189 . 1 . 1 16 16 ASN CB C 13 38.960 0.2 . 1 . . . . . 16 ASN CB . 52753 1 190 . 1 . 1 16 16 ASN CG C 13 177.584 0.2 . 1 . . . . . 16 ASN CG . 52753 1 191 . 1 . 1 16 16 ASN N N 15 118.518 0.2 . 1 . . . . . 16 ASN N . 52753 1 192 . 1 . 1 16 16 ASN ND2 N 15 112.814 0.2 . 1 . . . . . 16 ASN ND2 . 52753 1 193 . 1 . 1 17 17 GLN H H 1 7.885 0.02 . 1 . . . . . 17 GLN H . 52753 1 194 . 1 . 1 17 17 GLN HA H 1 4.117 0.02 . 1 . . . . . 17 GLN HA . 52753 1 195 . 1 . 1 17 17 GLN HB2 H 1 2.091 0.02 . 2 . . . . . 17 GLN HB2 . 52753 1 196 . 1 . 1 17 17 GLN HB3 H 1 1.898 0.02 . 2 . . . . . 17 GLN HB3 . 52753 1 197 . 1 . 1 17 17 GLN HG2 H 1 2.240 0.02 . 2 . . . . . 17 GLN QG . 52753 1 198 . 1 . 1 17 17 GLN HG3 H 1 2.240 0.02 . 2 . . . . . 17 GLN QG . 52753 1 199 . 1 . 1 17 17 GLN HE21 H 1 7.542 0.02 . 2 . . . . . 17 GLN HE21 . 52753 1 200 . 1 . 1 17 17 GLN HE22 H 1 6.766 0.02 . 2 . . . . . 17 GLN HE22 . 52753 1 201 . 1 . 1 17 17 GLN CA C 13 57.625 0.2 . 1 . . . . . 17 GLN CA . 52753 1 202 . 1 . 1 17 17 GLN CB C 13 30.464 0.2 . 1 . . . . . 17 GLN CB . 52753 1 203 . 1 . 1 17 17 GLN CG C 13 34.353 0.2 . 1 . . . . . 17 GLN CG . 52753 1 204 . 1 . 1 17 17 GLN CD C 13 181.190 0.2 . 1 . . . . . 17 GLN CD . 52753 1 205 . 1 . 1 17 17 GLN N N 15 124.771 0.2 . 1 . . . . . 17 GLN N . 52753 1 206 . 1 . 1 17 17 GLN NE2 N 15 112.559 0.2 . 1 . . . . . 17 GLN NE2 . 52753 1 stop_ save_