################################### # 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 51842 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'MEF2D var4' _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' . . . 51842 1 2 '2D 1H-1H ROESY' . . . 51842 1 3 '2D 1H-13C HSQC' . . . 51842 1 4 '2D 1H-13C HSQC-TOCSY' . . . 51842 1 5 '2D 1H-15N HSQC' . . . 51842 1 6 '2D 1H-15N HSQC-TOCSY' . . . 51842 1 7 '2D 1H-15N HSQC-ROESY' . . . 51842 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 . . 51842 1 2 $software_2 . . 51842 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 SER HA H 1 4.185 0.020 . 1 . . . . . 1 SER HA . 51842 1 2 . 1 . 1 1 1 SER HB2 H 1 4.001 0.020 . 2 . . . . . 1 SER HB2 . 51842 1 3 . 1 . 1 1 1 SER HB3 H 1 3.946 0.020 . 2 . . . . . 1 SER HB3 . 51842 1 4 . 1 . 1 1 1 SER CA C 13 54.733 0.3 . 1 . . . . . 1 SER CA . 51842 1 5 . 1 . 1 1 1 SER CB C 13 60.518 0.3 . 1 . . . . . 1 SER CB . 51842 1 6 . 1 . 1 2 2 ARG H H 1 8.727 0.020 . 1 . . . . . 2 ARG H . 51842 1 7 . 1 . 1 2 2 ARG HA H 1 4.390 0.020 . 1 . . . . . 2 ARG HA . 51842 1 8 . 1 . 1 2 2 ARG HB2 H 1 1.812 0.020 . 2 . . . . . 2 ARG HB2 . 51842 1 9 . 1 . 1 2 2 ARG HB3 H 1 1.755 0.020 . 2 . . . . . 2 ARG HB3 . 51842 1 10 . 1 . 1 2 2 ARG HG2 H 1 1.623 0.020 . 1 . . . . . 2 ARG HG2 . 51842 1 11 . 1 . 1 2 2 ARG HG3 H 1 1.623 0.020 . 1 . . . . . 2 ARG HG3 . 51842 1 12 . 1 . 1 2 2 ARG HD2 H 1 3.191 0.020 . 1 . . . . . 2 ARG HD2 . 51842 1 13 . 1 . 1 2 2 ARG HD3 H 1 3.191 0.020 . 1 . . . . . 2 ARG HD3 . 51842 1 14 . 1 . 1 2 2 ARG CA C 13 53.560 0.3 . 1 . . . . . 2 ARG CA . 51842 1 15 . 1 . 1 2 2 ARG CB C 13 28.456 0.3 . 1 . . . . . 2 ARG CB . 51842 1 16 . 1 . 1 3 3 LYS H H 1 8.541 0.020 . 1 . . . . . 3 LYS H . 51842 1 17 . 1 . 1 3 3 LYS HA H 1 4.562 0.020 . 1 . . . . . 3 LYS HA . 51842 1 18 . 1 . 1 3 3 LYS HB2 H 1 1.831 0.020 . 2 . . . . . 3 LYS HB2 . 51842 1 19 . 1 . 1 3 3 LYS HB3 H 1 1.712 0.020 . 2 . . . . . 3 LYS HB3 . 51842 1 20 . 1 . 1 3 3 LYS HG2 H 1 1.483 0.020 . 1 . . . . . 3 LYS HG2 . 51842 1 21 . 1 . 1 3 3 LYS HG3 H 1 1.483 0.020 . 1 . . . . . 3 LYS HG3 . 51842 1 22 . 1 . 1 3 3 LYS CA C 13 51.839 0.3 . 1 . . . . . 3 LYS CA . 51842 1 23 . 1 . 1 3 3 LYS CB C 13 29.748 0.3 . 1 . . . . . 3 LYS CB . 51842 1 24 . 1 . 1 4 4 PRO HA H 1 4.395 0.020 . 1 . . . . . 4 PRO HA . 51842 1 25 . 1 . 1 4 4 PRO HD2 H 1 3.841 0.020 . 1 . . . . . 4 PRO HD2 . 51842 1 26 . 1 . 1 4 4 PRO CA C 13 60.565 0.3 . 1 . . . . . 4 PRO CA . 51842 1 27 . 1 . 1 4 4 PRO CB C 13 29.466 0.3 . 1 . . . . . 4 PRO CB . 51842 1 28 . 1 . 1 4 4 PRO CG C 13 24.750 0.3 . 1 . . . . . 4 PRO CG . 51842 1 29 . 1 . 1 4 4 PRO CD C 13 48.030 0.3 . 1 . . . . . 4 PRO CD . 51842 1 30 . 1 . 1 5 5 ASP H H 1 8.434 0.020 . 1 . . . . . 5 ASP H . 51842 1 31 . 1 . 1 5 5 ASP HA H 1 4.596 0.020 . 1 . . . . . 5 ASP HA . 51842 1 32 . 1 . 1 5 5 ASP HB2 H 1 2.608 0.020 . 1 . . . . . 5 ASP HB2 . 51842 1 33 . 1 . 1 5 5 ASP HB3 H 1 2.608 0.020 . 1 . . . . . 5 ASP HB3 . 51842 1 34 . 1 . 1 5 5 ASP CA C 13 51.303 0.3 . 1 . . . . . 5 ASP CA . 51842 1 35 . 1 . 1 5 5 ASP CB C 13 38.410 0.3 . 1 . . . . . 5 ASP CB . 51842 1 36 . 1 . 1 6 6 LEU H H 1 8.252 0.020 . 1 . . . . . 6 LEU H . 51842 1 37 . 1 . 1 6 6 LEU HA H 1 4.310 0.020 . 1 . . . . . 6 LEU HA . 51842 1 38 . 1 . 1 6 6 LEU HB2 H 1 1.609 0.020 . 1 . . . . . 6 LEU HB2 . 51842 1 39 . 1 . 1 6 6 LEU HB3 H 1 1.609 0.020 . 1 . . . . . 6 LEU HB3 . 51842 1 40 . 1 . 1 6 6 LEU HD11 H 1 0.916 0.020 . 2 . . . . . 6 LEU HD1 . 51842 1 41 . 1 . 1 6 6 LEU HD12 H 1 0.916 0.020 . 2 . . . . . 6 LEU HD1 . 51842 1 42 . 1 . 1 6 6 LEU HD13 H 1 0.916 0.020 . 2 . . . . . 6 LEU HD1 . 51842 1 43 . 1 . 1 6 6 LEU HD21 H 1 0.848 0.020 . 2 . . . . . 6 LEU HD2 . 51842 1 44 . 1 . 1 6 6 LEU HD22 H 1 0.848 0.020 . 2 . . . . . 6 LEU HD2 . 51842 1 45 . 1 . 1 6 6 LEU HD23 H 1 0.848 0.020 . 2 . . . . . 6 LEU HD2 . 51842 1 46 . 1 . 1 6 6 LEU CA C 13 52.682 0.3 . 1 . . . . . 6 LEU CA . 51842 1 47 . 1 . 1 6 6 LEU CB C 13 39.505 0.3 . 1 . . . . . 6 LEU CB . 51842 1 48 . 1 . 1 6 6 LEU N N 15 123.751 0.3 . 1 . . . . . 6 LEU N . 51842 1 49 . 1 . 1 7 7 ARG H H 1 8.314 0.020 . 1 . . . . . 7 ARG H . 51842 1 50 . 1 . 1 7 7 ARG HA H 1 4.276 0.020 . 1 . . . . . 7 ARG HA . 51842 1 51 . 1 . 1 7 7 ARG HB2 H 1 1.631 0.020 . 2 . . . . . 7 ARG HB2 . 51842 1 52 . 1 . 1 7 7 ARG HB3 H 1 1.568 0.020 . 2 . . . . . 7 ARG HB3 . 51842 1 53 . 1 . 1 7 7 ARG HG2 H 1 1.790 0.020 . 1 . . . . . 7 ARG HG2 . 51842 1 54 . 1 . 1 7 7 ARG HG3 H 1 1.790 0.020 . 1 . . . . . 7 ARG HG3 . 51842 1 55 . 1 . 1 7 7 ARG CA C 13 53.897 0.3 . 1 . . . . . 7 ARG CA . 51842 1 56 . 1 . 1 7 7 ARG CB C 13 27.964 0.3 . 1 . . . . . 7 ARG CB . 51842 1 57 . 1 . 1 8 8 VAL H H 1 8.097 0.020 . 1 . . . . . 8 VAL H . 51842 1 58 . 1 . 1 8 8 VAL HA H 1 4.071 0.020 . 1 . . . . . 8 VAL HA . 51842 1 59 . 1 . 1 8 8 VAL HB H 1 2.031 0.020 . 1 . . . . . 8 VAL HB . 51842 1 60 . 1 . 1 8 8 VAL HG11 H 1 0.899 0.020 . 1 . . . . . 8 VAL HG1 . 51842 1 61 . 1 . 1 8 8 VAL HG12 H 1 0.899 0.020 . 1 . . . . . 8 VAL HG1 . 51842 1 62 . 1 . 1 8 8 VAL HG13 H 1 0.899 0.020 . 1 . . . . . 8 VAL HG1 . 51842 1 63 . 1 . 1 8 8 VAL HG21 H 1 0.899 0.020 . 1 . . . . . 8 VAL HG2 . 51842 1 64 . 1 . 1 8 8 VAL HG22 H 1 0.899 0.020 . 1 . . . . . 8 VAL HG2 . 51842 1 65 . 1 . 1 8 8 VAL HG23 H 1 0.899 0.020 . 1 . . . . . 8 VAL HG2 . 51842 1 66 . 1 . 1 8 8 VAL CA C 13 59.928 0.3 . 1 . . . . . 8 VAL CA . 51842 1 67 . 1 . 1 8 8 VAL CB C 13 30.083 0.3 . 1 . . . . . 8 VAL CB . 51842 1 68 . 1 . 1 9 9 ILE H H 1 8.307 0.020 . 1 . . . . . 9 ILE H . 51842 1 69 . 1 . 1 9 9 ILE HA H 1 4.226 0.020 . 1 . . . . . 9 ILE HA . 51842 1 70 . 1 . 1 9 9 ILE HB H 1 1.874 0.020 . 1 . . . . . 9 ILE HB . 51842 1 71 . 1 . 1 9 9 ILE HG12 H 1 0.894 0.020 . 1 . . . . . 9 ILE HG12 . 51842 1 72 . 1 . 1 9 9 ILE HG13 H 1 0.894 0.020 . 1 . . . . . 9 ILE HG13 . 51842 1 73 . 1 . 1 9 9 ILE HG21 H 1 0.833 0.020 . 1 . . . . . 9 ILE HG2 . 51842 1 74 . 1 . 1 9 9 ILE HG22 H 1 0.833 0.020 . 1 . . . . . 9 ILE HG2 . 51842 1 75 . 1 . 1 9 9 ILE HG23 H 1 0.833 0.020 . 1 . . . . . 9 ILE HG2 . 51842 1 76 . 1 . 1 9 9 ILE CA C 13 58.503 0.3 . 1 . . . . . 9 ILE CA . 51842 1 77 . 1 . 1 9 9 ILE CB C 13 35.931 0.3 . 1 . . . . . 9 ILE CB . 51842 1 78 . 1 . 1 10 10 THR H H 1 8.239 0.020 . 1 . . . . . 10 THR H . 51842 1 79 . 1 . 1 10 10 THR HA H 1 4.362 0.020 . 1 . . . . . 10 THR HA . 51842 1 80 . 1 . 1 10 10 THR HB H 1 4.235 0.020 . 1 . . . . . 10 THR HB . 51842 1 81 . 1 . 1 10 10 THR HG21 H 1 1.193 0.020 . 1 . . . . . 10 THR HG2 . 51842 1 82 . 1 . 1 10 10 THR HG22 H 1 1.193 0.020 . 1 . . . . . 10 THR HG2 . 51842 1 83 . 1 . 1 10 10 THR HG23 H 1 1.193 0.020 . 1 . . . . . 10 THR HG2 . 51842 1 84 . 1 . 1 10 10 THR CA C 13 59.334 0.3 . 1 . . . . . 10 THR CA . 51842 1 85 . 1 . 1 10 10 THR CB C 13 67.156 0.3 . 1 . . . . . 10 THR CB . 51842 1 86 . 1 . 1 11 11 SER H H 1 8.303 0.020 . 1 . . . . . 11 SER H . 51842 1 87 . 1 . 1 11 11 SER HA H 1 4.446 0.020 . 1 . . . . . 11 SER HA . 51842 1 88 . 1 . 1 11 11 SER HB2 H 1 3.912 0.020 . 2 . . . . . 11 SER HB2 . 51842 1 89 . 1 . 1 11 11 SER HB3 H 1 3.848 0.020 . 2 . . . . . 11 SER HB3 . 51842 1 90 . 1 . 1 11 11 SER CA C 13 55.853 0.3 . 1 . . . . . 11 SER CA . 51842 1 91 . 1 . 1 11 11 SER CB C 13 61.223 0.3 . 1 . . . . . 11 SER CB . 51842 1 92 . 1 . 1 12 12 GLN H H 1 8.437 0.020 . 1 . . . . . 12 GLN H . 51842 1 93 . 1 . 1 12 12 GLN HA H 1 4.322 0.020 . 1 . . . . . 12 GLN HA . 51842 1 94 . 1 . 1 12 12 GLN HB2 H 1 2.131 0.020 . 2 . . . . . 12 GLN HB2 . 51842 1 95 . 1 . 1 12 12 GLN HB3 H 1 1.965 0.020 . 2 . . . . . 12 GLN HB3 . 51842 1 96 . 1 . 1 12 12 GLN HG2 H 1 2.355 0.020 . 1 . . . . . 12 GLN HG2 . 51842 1 97 . 1 . 1 12 12 GLN HG3 H 1 2.355 0.020 . 1 . . . . . 12 GLN HG3 . 51842 1 98 . 1 . 1 12 12 GLN CA C 13 53.365 0.3 . 1 . . . . . 12 GLN CA . 51842 1 99 . 1 . 1 12 12 GLN CB C 13 26.702 0.3 . 1 . . . . . 12 GLN CB . 51842 1 100 . 1 . 1 13 13 ALA H H 1 8.275 0.020 . 1 . . . . . 13 ALA H . 51842 1 101 . 1 . 1 13 13 ALA HA H 1 4.279 0.020 . 1 . . . . . 13 ALA HA . 51842 1 102 . 1 . 1 13 13 ALA HB1 H 1 1.385 0.020 . 1 . . . . . 13 ALA HB . 51842 1 103 . 1 . 1 13 13 ALA HB2 H 1 1.385 0.020 . 1 . . . . . 13 ALA HB . 51842 1 104 . 1 . 1 13 13 ALA HB3 H 1 1.385 0.020 . 1 . . . . . 13 ALA HB . 51842 1 105 . 1 . 1 13 13 ALA CA C 13 50.327 0.3 . 1 . . . . . 13 ALA CA . 51842 1 106 . 1 . 1 13 13 ALA CB C 13 16.493 0.3 . 1 . . . . . 13 ALA CB . 51842 1 107 . 1 . 1 14 14 GLY H H 1 8.386 0.020 . 1 . . . . . 14 GLY H . 51842 1 108 . 1 . 1 14 14 GLY HA2 H 1 3.935 0.020 . 1 . . . . . 14 GLY HA2 . 51842 1 109 . 1 . 1 14 14 GLY HA3 H 1 3.935 0.020 . 1 . . . . . 14 GLY HA3 . 51842 1 110 . 1 . 1 14 14 GLY CA C 13 42.864 0.3 . 1 . . . . . 14 GLY CA . 51842 1 111 . 1 . 1 15 15 LYS H H 1 8.147 0.020 . 1 . . . . . 15 LYS H . 51842 1 112 . 1 . 1 15 15 LYS HA H 1 4.308 0.020 . 1 . . . . . 15 LYS HA . 51842 1 113 . 1 . 1 15 15 LYS HB2 H 1 1.863 0.020 . 2 . . . . . 15 LYS HB2 . 51842 1 114 . 1 . 1 15 15 LYS HB3 H 1 1.764 0.020 . 2 . . . . . 15 LYS HB3 . 51842 1 115 . 1 . 1 15 15 LYS HG2 H 1 1.451 0.020 . 2 . . . . . 15 LYS HG2 . 51842 1 116 . 1 . 1 15 15 LYS HG3 H 1 1.383 0.020 . 2 . . . . . 15 LYS HG3 . 51842 1 117 . 1 . 1 15 15 LYS HD2 H 1 1.660 0.020 . 1 . . . . . 15 LYS HD2 . 51842 1 118 . 1 . 1 15 15 LYS HD3 H 1 1.660 0.020 . 1 . . . . . 15 LYS HD3 . 51842 1 119 . 1 . 1 15 15 LYS CA C 13 53.960 0.3 . 1 . . . . . 15 LYS CA . 51842 1 120 . 1 . 1 15 15 LYS CB C 13 30.373 0.3 . 1 . . . . . 15 LYS CB . 51842 1 121 . 1 . 1 16 16 GLY H H 1 8.482 0.020 . 1 . . . . . 16 GLY H . 51842 1 122 . 1 . 1 16 16 GLY HA2 H 1 4.018 0.020 . 1 . . . . . 16 GLY HA2 . 51842 1 123 . 1 . 1 16 16 GLY HA3 H 1 4.018 0.020 . 1 . . . . . 16 GLY HA3 . 51842 1 124 . 1 . 1 16 16 GLY CA C 13 42.734 0.3 . 1 . . . . . 16 GLY CA . 51842 1 125 . 1 . 1 17 17 LEU H H 1 8.039 0.020 . 1 . . . . . 17 LEU H . 51842 1 126 . 1 . 1 17 17 LEU HA H 1 4.293 0.020 . 1 . . . . . 17 LEU HA . 51842 1 127 . 1 . 1 17 17 LEU HB2 H 1 1.575 0.020 . 2 . . . . . 17 LEU HB2 . 51842 1 128 . 1 . 1 17 17 LEU HB3 H 1 1.521 0.020 . 2 . . . . . 17 LEU HB3 . 51842 1 129 . 1 . 1 17 17 LEU HD11 H 1 0.890 0.020 . 2 . . . . . 17 LEU HD1 . 51842 1 130 . 1 . 1 17 17 LEU HD12 H 1 0.890 0.020 . 2 . . . . . 17 LEU HD1 . 51842 1 131 . 1 . 1 17 17 LEU HD13 H 1 0.890 0.020 . 2 . . . . . 17 LEU HD1 . 51842 1 132 . 1 . 1 17 17 LEU HD21 H 1 0.836 0.020 . 2 . . . . . 17 LEU HD2 . 51842 1 133 . 1 . 1 17 17 LEU HD22 H 1 0.836 0.020 . 2 . . . . . 17 LEU HD2 . 51842 1 134 . 1 . 1 17 17 LEU HD23 H 1 0.836 0.020 . 2 . . . . . 17 LEU HD2 . 51842 1 135 . 1 . 1 17 17 LEU CA C 13 52.666 0.3 . 1 . . . . . 17 LEU CA . 51842 1 136 . 1 . 1 17 17 LEU CB C 13 39.742 0.3 . 1 . . . . . 17 LEU CB . 51842 1 137 . 1 . 1 17 17 LEU N N 15 121.393 0.3 . 1 . . . . . 17 LEU N . 51842 1 138 . 1 . 1 18 18 MET H H 1 8.285 0.020 . 1 . . . . . 18 MET H . 51842 1 139 . 1 . 1 18 18 MET HA H 1 4.373 0.020 . 1 . . . . . 18 MET HA . 51842 1 140 . 1 . 1 18 18 MET HB2 H 1 1.945 0.020 . 1 . . . . . 18 MET HB2 . 51842 1 141 . 1 . 1 18 18 MET HB3 H 1 1.945 0.020 . 1 . . . . . 18 MET HB3 . 51842 1 142 . 1 . 1 18 18 MET HG2 H 1 2.520 0.020 . 2 . . . . . 18 MET HG2 . 51842 1 143 . 1 . 1 18 18 MET HG3 H 1 2.435 0.020 . 2 . . . . . 18 MET HG3 . 51842 1 144 . 1 . 1 18 18 MET CA C 13 52.883 0.3 . 1 . . . . . 18 MET CA . 51842 1 145 . 1 . 1 18 18 MET CB C 13 30.059 0.3 . 1 . . . . . 18 MET CB . 51842 1 146 . 1 . 1 19 19 HIS H H 1 8.456 0.020 . 1 . . . . . 19 HIS H . 51842 1 147 . 1 . 1 19 19 HIS HA H 1 4.647 0.020 . 1 . . . . . 19 HIS HA . 51842 1 148 . 1 . 1 19 19 HIS HB2 H 1 3.303 0.020 . 2 . . . . . 19 HIS HB2 . 51842 1 149 . 1 . 1 19 19 HIS HB3 H 1 3.183 0.020 . 2 . . . . . 19 HIS HB3 . 51842 1 150 . 1 . 1 19 19 HIS CA C 13 52.924 0.3 . 1 . . . . . 19 HIS CA . 51842 1 151 . 1 . 1 19 19 HIS CB C 13 25.983 0.3 . 1 . . . . . 19 HIS CB . 51842 1 152 . 1 . 1 20 20 HIS H H 1 8.597 0.020 . 1 . . . . . 20 HIS H . 51842 1 153 . 1 . 1 20 20 HIS HA H 1 4.685 0.020 . 1 . . . . . 20 HIS HA . 51842 1 154 . 1 . 1 20 20 HIS HB2 H 1 3.256 0.020 . 2 . . . . . 20 HIS HB2 . 51842 1 155 . 1 . 1 20 20 HIS HB3 H 1 3.151 0.020 . 2 . . . . . 20 HIS HB3 . 51842 1 156 . 1 . 1 20 20 HIS CA C 13 52.759 0.3 . 1 . . . . . 20 HIS CA . 51842 1 157 . 1 . 1 20 20 HIS CB C 13 26.547 0.3 . 1 . . . . . 20 HIS CB . 51842 1 158 . 1 . 1 21 21 LEU H H 1 8.487 0.020 . 1 . . . . . 21 LEU H . 51842 1 159 . 1 . 1 21 21 LEU HA H 1 4.387 0.020 . 1 . . . . . 21 LEU HA . 51842 1 160 . 1 . 1 21 21 LEU HB2 H 1 1.650 0.020 . 2 . . . . . 21 LEU HB2 . 51842 1 161 . 1 . 1 21 21 LEU HB3 H 1 1.578 0.020 . 2 . . . . . 21 LEU HB3 . 51842 1 162 . 1 . 1 21 21 LEU HD11 H 1 0.903 0.020 . 2 . . . . . 21 LEU HD1 . 51842 1 163 . 1 . 1 21 21 LEU HD12 H 1 0.903 0.020 . 2 . . . . . 21 LEU HD1 . 51842 1 164 . 1 . 1 21 21 LEU HD13 H 1 0.903 0.020 . 2 . . . . . 21 LEU HD1 . 51842 1 165 . 1 . 1 21 21 LEU HD21 H 1 0.848 0.020 . 2 . . . . . 21 LEU HD2 . 51842 1 166 . 1 . 1 21 21 LEU HD22 H 1 0.848 0.020 . 2 . . . . . 21 LEU HD2 . 51842 1 167 . 1 . 1 21 21 LEU HD23 H 1 0.848 0.020 . 2 . . . . . 21 LEU HD2 . 51842 1 168 . 1 . 1 21 21 LEU CA C 13 52.895 0.3 . 1 . . . . . 21 LEU CA . 51842 1 169 . 1 . 1 21 21 LEU CB C 13 39.733 0.3 . 1 . . . . . 21 LEU CB . 51842 1 170 . 1 . 1 22 22 THR H H 1 8.180 0.020 . 1 . . . . . 22 THR H . 51842 1 171 . 1 . 1 22 22 THR HA H 1 4.307 0.020 . 1 . . . . . 22 THR HA . 51842 1 172 . 1 . 1 22 22 THR HB H 1 4.201 0.020 . 1 . . . . . 22 THR HB . 51842 1 173 . 1 . 1 22 22 THR HG21 H 1 1.183 0.020 . 1 . . . . . 22 THR HG2 . 51842 1 174 . 1 . 1 22 22 THR HG22 H 1 1.183 0.020 . 1 . . . . . 22 THR HG2 . 51842 1 175 . 1 . 1 22 22 THR HG23 H 1 1.183 0.020 . 1 . . . . . 22 THR HG2 . 51842 1 176 . 1 . 1 22 22 THR CA C 13 59.326 0.3 . 1 . . . . . 22 THR CA . 51842 1 177 . 1 . 1 22 22 THR CB C 13 67.153 0.3 . 1 . . . . . 22 THR CB . 51842 1 178 . 1 . 1 23 23 GLU H H 1 8.408 0.020 . 1 . . . . . 23 GLU H . 51842 1 179 . 1 . 1 23 23 GLU HA H 1 4.312 0.020 . 1 . . . . . 23 GLU HA . 51842 1 180 . 1 . 1 23 23 GLU HB2 H 1 2.034 0.020 . 2 . . . . . 23 GLU HB2 . 51842 1 181 . 1 . 1 23 23 GLU HB3 H 1 1.916 0.020 . 2 . . . . . 23 GLU HB3 . 51842 1 182 . 1 . 1 23 23 GLU HG2 H 1 2.310 0.020 . 1 . . . . . 23 GLU HG2 . 51842 1 183 . 1 . 1 23 23 GLU HG3 H 1 2.310 0.020 . 1 . . . . . 23 GLU HG3 . 51842 1 184 . 1 . 1 23 23 GLU CA C 13 53.672 0.3 . 1 . . . . . 23 GLU CA . 51842 1 185 . 1 . 1 23 23 GLU CB C 13 27.287 0.3 . 1 . . . . . 23 GLU CB . 51842 1 186 . 1 . 1 24 24 ASP H H 1 8.342 0.020 . 1 . . . . . 24 ASP H . 51842 1 187 . 1 . 1 24 24 ASP HA H 1 4.556 0.020 . 1 . . . . . 24 ASP HA . 51842 1 188 . 1 . 1 24 24 ASP HB2 H 1 2.660 0.020 . 1 . . . . . 24 ASP HB2 . 51842 1 189 . 1 . 1 24 24 ASP HB3 H 1 2.660 0.020 . 1 . . . . . 24 ASP HB3 . 51842 1 190 . 1 . 1 24 24 ASP CA C 13 51.564 0.3 . 1 . . . . . 24 ASP CA . 51842 1 191 . 1 . 1 24 24 ASP CB C 13 38.215 0.3 . 1 . . . . . 24 ASP CB . 51842 1 192 . 1 . 1 25 25 HIS H H 1 8.471 0.020 . 1 . . . . . 25 HIS H . 51842 1 193 . 1 . 1 25 25 HIS HA H 1 4.654 0.020 . 1 . . . . . 25 HIS HA . 51842 1 194 . 1 . 1 25 25 HIS HB2 H 1 3.299 0.020 . 2 . . . . . 25 HIS HB2 . 51842 1 195 . 1 . 1 25 25 HIS HB3 H 1 3.174 0.020 . 2 . . . . . 25 HIS HB3 . 51842 1 196 . 1 . 1 25 25 HIS CA C 13 52.739 0.3 . 1 . . . . . 25 HIS CA . 51842 1 197 . 1 . 1 25 25 HIS CB C 13 26.040 0.3 . 1 . . . . . 25 HIS CB . 51842 1 198 . 1 . 1 26 26 LEU H H 1 8.298 0.020 . 1 . . . . . 26 LEU H . 51842 1 199 . 1 . 1 26 26 LEU HA H 1 4.321 0.020 . 1 . . . . . 26 LEU HA . 51842 1 200 . 1 . 1 26 26 LEU HB2 H 1 1.620 0.020 . 2 . . . . . 26 LEU HB2 . 51842 1 201 . 1 . 1 26 26 LEU HB3 H 1 1.523 0.020 . 2 . . . . . 26 LEU HB3 . 51842 1 202 . 1 . 1 26 26 LEU HD11 H 1 0.891 0.020 . 2 . . . . . 26 LEU HD1 . 51842 1 203 . 1 . 1 26 26 LEU HD12 H 1 0.891 0.020 . 2 . . . . . 26 LEU HD1 . 51842 1 204 . 1 . 1 26 26 LEU HD13 H 1 0.891 0.020 . 2 . . . . . 26 LEU HD1 . 51842 1 205 . 1 . 1 26 26 LEU HD21 H 1 0.828 0.020 . 2 . . . . . 26 LEU HD2 . 51842 1 206 . 1 . 1 26 26 LEU HD22 H 1 0.828 0.020 . 2 . . . . . 26 LEU HD2 . 51842 1 207 . 1 . 1 26 26 LEU HD23 H 1 0.828 0.020 . 2 . . . . . 26 LEU HD2 . 51842 1 208 . 1 . 1 26 26 LEU CA C 13 52.645 0.3 . 1 . . . . . 26 LEU CA . 51842 1 209 . 1 . 1 26 26 LEU CB C 13 39.644 0.3 . 1 . . . . . 26 LEU CB . 51842 1 210 . 1 . 1 26 26 LEU N N 15 122.868 0.3 . 1 . . . . . 26 LEU N . 51842 1 211 . 1 . 1 27 27 ASP H H 1 8.407 0.020 . 1 . . . . . 27 ASP H . 51842 1 212 . 1 . 1 27 27 ASP HA H 1 4.625 0.020 . 1 . . . . . 27 ASP HA . 51842 1 213 . 1 . 1 27 27 ASP HB2 H 1 2.767 0.020 . 2 . . . . . 27 ASP HB2 . 51842 1 214 . 1 . 1 27 27 ASP HB3 H 1 2.685 0.020 . 2 . . . . . 27 ASP HB3 . 51842 1 215 . 1 . 1 27 27 ASP CA C 13 51.406 0.3 . 1 . . . . . 27 ASP CA . 51842 1 216 . 1 . 1 27 27 ASP CB C 13 38.265 0.3 . 1 . . . . . 27 ASP CB . 51842 1 217 . 1 . 1 28 28 ASN H H 1 8.397 0.020 . 1 . . . . . 28 ASN H . 51842 1 218 . 1 . 1 28 28 ASN HA H 1 4.649 0.020 . 1 . . . . . 28 ASN HA . 51842 1 219 . 1 . 1 28 28 ASN HB2 H 1 2.812 0.020 . 2 . . . . . 28 ASN HB2 . 51842 1 220 . 1 . 1 28 28 ASN HB3 H 1 2.755 0.020 . 2 . . . . . 28 ASN HB3 . 51842 1 221 . 1 . 1 28 28 ASN CA C 13 50.913 0.3 . 1 . . . . . 28 ASN CA . 51842 1 222 . 1 . 1 28 28 ASN CB C 13 36.166 0.3 . 1 . . . . . 28 ASN CB . 51842 1 223 . 1 . 1 29 29 ASN H H 1 8.432 0.020 . 1 . . . . . 29 ASN H . 51842 1 224 . 1 . 1 29 29 ASN HA H 1 4.656 0.020 . 1 . . . . . 29 ASN HA . 51842 1 225 . 1 . 1 29 29 ASN HB2 H 1 2.814 0.020 . 2 . . . . . 29 ASN HB2 . 51842 1 226 . 1 . 1 29 29 ASN HB3 H 1 2.730 0.020 . 2 . . . . . 29 ASN HB3 . 51842 1 227 . 1 . 1 29 29 ASN CA C 13 50.906 0.3 . 1 . . . . . 29 ASN CA . 51842 1 228 . 1 . 1 29 29 ASN CB C 13 36.129 0.3 . 1 . . . . . 29 ASN CB . 51842 1 229 . 1 . 1 30 30 ASN H H 1 8.282 0.020 . 1 . . . . . 30 ASN H . 51842 1 230 . 1 . 1 30 30 ASN HA H 1 4.610 0.020 . 1 . . . . . 30 ASN HA . 51842 1 231 . 1 . 1 30 30 ASN HB2 H 1 2.802 0.020 . 2 . . . . . 30 ASN HB2 . 51842 1 232 . 1 . 1 30 30 ASN HB3 H 1 2.741 0.020 . 2 . . . . . 30 ASN HB3 . 51842 1 233 . 1 . 1 30 30 ASN CA C 13 50.908 0.3 . 1 . . . . . 30 ASN CA . 51842 1 234 . 1 . 1 30 30 ASN CB C 13 35.916 0.3 . 1 . . . . . 30 ASN CB . 51842 1 235 . 1 . 1 31 31 HIS H H 1 8.436 0.020 . 1 . . . . . 31 HIS H . 51842 1 236 . 1 . 1 31 31 HIS HA H 1 4.644 0.020 . 1 . . . . . 31 HIS HA . 51842 1 237 . 1 . 1 31 31 HIS HB2 H 1 3.214 0.020 . 2 . . . . . 31 HIS HB2 . 51842 1 238 . 1 . 1 31 31 HIS HB3 H 1 3.121 0.020 . 2 . . . . . 31 HIS HB3 . 51842 1 239 . 1 . 1 31 31 HIS CA C 13 52.547 0.3 . 1 . . . . . 31 HIS CA . 51842 1 240 . 1 . 1 31 31 HIS CB C 13 26.487 0.3 . 1 . . . . . 31 HIS CB . 51842 1 241 . 1 . 1 32 32 GLN H H 1 8.370 0.020 . 1 . . . . . 32 GLN H . 51842 1 242 . 1 . 1 32 32 GLN HA H 1 4.284 0.020 . 1 . . . . . 32 GLN HA . 51842 1 243 . 1 . 1 32 32 GLN HB2 H 1 2.054 0.020 . 2 . . . . . 32 GLN HB2 . 51842 1 244 . 1 . 1 32 32 GLN HB3 H 1 1.977 0.020 . 2 . . . . . 32 GLN HB3 . 51842 1 245 . 1 . 1 32 32 GLN HG2 H 1 2.330 0.020 . 1 . . . . . 32 GLN HG2 . 51842 1 246 . 1 . 1 32 32 GLN HG3 H 1 2.330 0.020 . 1 . . . . . 32 GLN HG3 . 51842 1 247 . 1 . 1 32 32 GLN CA C 13 53.627 0.3 . 1 . . . . . 32 GLN CA . 51842 1 248 . 1 . 1 32 32 GLN CB C 13 26.810 0.3 . 1 . . . . . 32 GLN CB . 51842 1 249 . 1 . 1 33 33 ARG H H 1 8.418 0.020 . 1 . . . . . 33 ARG H . 51842 1 250 . 1 . 1 33 33 ARG HA H 1 4.324 0.020 . 1 . . . . . 33 ARG HA . 51842 1 251 . 1 . 1 33 33 ARG HB2 H 1 1.831 0.020 . 2 . . . . . 33 ARG HB2 . 51842 1 252 . 1 . 1 33 33 ARG HB3 H 1 1.760 0.020 . 2 . . . . . 33 ARG HB3 . 51842 1 253 . 1 . 1 33 33 ARG HG2 H 1 1.616 0.020 . 1 . . . . . 33 ARG HG2 . 51842 1 254 . 1 . 1 33 33 ARG HG3 H 1 1.616 0.020 . 1 . . . . . 33 ARG HG3 . 51842 1 255 . 1 . 1 33 33 ARG CA C 13 53.603 0.3 . 1 . . . . . 33 ARG CA . 51842 1 256 . 1 . 1 33 33 ARG CB C 13 28.079 0.3 . 1 . . . . . 33 ARG CB . 51842 1 257 . 1 . 1 34 34 LEU H H 1 8.383 0.020 . 1 . . . . . 34 LEU H . 51842 1 258 . 1 . 1 34 34 LEU HA H 1 4.378 0.020 . 1 . . . . . 34 LEU HA . 51842 1 259 . 1 . 1 34 34 LEU HB2 H 1 1.665 0.020 . 2 . . . . . 34 LEU HB2 . 51842 1 260 . 1 . 1 34 34 LEU HB3 H 1 1.597 0.020 . 2 . . . . . 34 LEU HB3 . 51842 1 261 . 1 . 1 34 34 LEU HD11 H 1 0.905 0.020 . 2 . . . . . 34 LEU HD1 . 51842 1 262 . 1 . 1 34 34 LEU HD12 H 1 0.905 0.020 . 2 . . . . . 34 LEU HD1 . 51842 1 263 . 1 . 1 34 34 LEU HD13 H 1 0.905 0.020 . 2 . . . . . 34 LEU HD1 . 51842 1 264 . 1 . 1 34 34 LEU HD21 H 1 0.857 0.020 . 2 . . . . . 34 LEU HD2 . 51842 1 265 . 1 . 1 34 34 LEU HD22 H 1 0.857 0.020 . 2 . . . . . 34 LEU HD2 . 51842 1 266 . 1 . 1 34 34 LEU HD23 H 1 0.857 0.020 . 2 . . . . . 34 LEU HD2 . 51842 1 267 . 1 . 1 34 34 LEU CA C 13 52.616 0.3 . 1 . . . . . 34 LEU CA . 51842 1 268 . 1 . 1 34 34 LEU CB C 13 39.879 0.3 . 1 . . . . . 34 LEU CB . 51842 1 269 . 1 . 1 34 34 LEU N N 15 124.101 0.3 . 1 . . . . . 34 LEU N . 51842 1 270 . 1 . 1 35 35 GLY H H 1 8.455 0.020 . 1 . . . . . 35 GLY H . 51842 1 271 . 1 . 1 35 35 GLY HA2 H 1 3.921 0.020 . 1 . . . . . 35 GLY HA2 . 51842 1 272 . 1 . 1 35 35 GLY HA3 H 1 3.921 0.020 . 1 . . . . . 35 GLY HA3 . 51842 1 273 . 1 . 1 35 35 GLY CA C 13 42.794 0.3 . 1 . . . . . 35 GLY CA . 51842 1 274 . 1 . 1 36 36 THR H H 1 8.051 0.020 . 1 . . . . . 36 THR H . 51842 1 275 . 1 . 1 36 36 THR HA H 1 4.421 0.020 . 1 . . . . . 36 THR HA . 51842 1 276 . 1 . 1 36 36 THR HB H 1 4.299 0.020 . 1 . . . . . 36 THR HB . 51842 1 277 . 1 . 1 36 36 THR HG21 H 1 1.178 0.020 . 1 . . . . . 36 THR HG2 . 51842 1 278 . 1 . 1 36 36 THR HG22 H 1 1.178 0.020 . 1 . . . . . 36 THR HG2 . 51842 1 279 . 1 . 1 36 36 THR HG23 H 1 1.178 0.020 . 1 . . . . . 36 THR HG2 . 51842 1 280 . 1 . 1 36 36 THR CA C 13 58.968 0.3 . 1 . . . . . 36 THR CA . 51842 1 281 . 1 . 1 36 36 THR CB C 13 67.430 0.3 . 1 . . . . . 36 THR CB . 51842 1 282 . 1 . 1 37 37 SER H H 1 8.070 0.020 . 1 . . . . . 37 SER H . 51842 1 283 . 1 . 1 37 37 SER HA H 1 4.310 0.020 . 1 . . . . . 37 SER HA . 51842 1 284 . 1 . 1 37 37 SER HB2 H 1 3.860 0.020 . 1 . . . . . 37 SER HB2 . 51842 1 285 . 1 . 1 37 37 SER HB3 H 1 3.860 0.020 . 1 . . . . . 37 SER HB3 . 51842 1 286 . 1 . 1 37 37 SER CA C 13 57.403 0.3 . 1 . . . . . 37 SER CA . 51842 1 287 . 1 . 1 37 37 SER CB C 13 62.212 0.3 . 1 . . . . . 37 SER CB . 51842 1 stop_ save_