################################### # 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 51013 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Human Amylin HNa-PEGylated' _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' . . . 51013 1 2 '2D 1H-13C HSQC' . . . 51013 1 3 '2D 1H-1H NOESY' . . . 51013 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 . . 51013 1 2 $software_2 . . 51013 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 LYS H H 1 7.403 0.020 . 1 . . . . . 1 LYS H . 51013 1 2 . 1 . 1 1 1 LYS HA H 1 4.073 0.020 . 1 . . . . . 1 LYS HA . 51013 1 3 . 1 . 1 1 1 LYS HB2 H 1 1.705 0.020 . 1 . . . . . 1 LYS HB2 . 51013 1 4 . 1 . 1 1 1 LYS HB3 H 1 1.705 0.020 . 1 . . . . . 1 LYS HB3 . 51013 1 5 . 1 . 1 1 1 LYS HG2 H 1 1.419 0.020 . 1 . . . . . 1 LYS HG2 . 51013 1 6 . 1 . 1 1 1 LYS HG3 H 1 1.419 0.020 . 1 . . . . . 1 LYS HG3 . 51013 1 7 . 1 . 1 1 1 LYS HD2 H 1 1.667 0.020 . 1 . . . . . 1 LYS HD2 . 51013 1 8 . 1 . 1 1 1 LYS HD3 H 1 1.667 0.020 . 1 . . . . . 1 LYS HD3 . 51013 1 9 . 1 . 1 1 1 LYS HE2 H 1 2.972 0.020 . 1 . . . . . 1 LYS HE2 . 51013 1 10 . 1 . 1 1 1 LYS HE3 H 1 2.972 0.020 . 1 . . . . . 1 LYS HE3 . 51013 1 11 . 1 . 1 1 1 LYS HZ1 H 1 7.570 0.020 . 1 . . . . . 1 LYS HZ1 . 51013 1 12 . 1 . 1 1 1 LYS HZ2 H 1 7.570 0.020 . 1 . . . . . 1 LYS HZ2 . 51013 1 13 . 1 . 1 1 1 LYS HZ3 H 1 7.570 0.020 . 1 . . . . . 1 LYS HZ3 . 51013 1 14 . 1 . 1 1 1 LYS CD C 13 28.913 0.3 . 1 . . . . . 1 LYS CD . 51013 1 15 . 1 . 1 1 1 LYS CE C 13 41.831 0.3 . 1 . . . . . 1 LYS CE . 51013 1 16 . 1 . 1 2 2 CYS H H 1 8.715 0.020 . 1 . . . . . 2 CYS H . 51013 1 17 . 1 . 1 2 2 CYS HA H 1 4.681 0.020 . 1 . . . . . 2 CYS HA . 51013 1 18 . 1 . 1 2 2 CYS HB2 H 1 3.158 0.020 . 2 . . . . . 2 CYS HB2 . 51013 1 19 . 1 . 1 2 2 CYS HB3 H 1 3.189 0.020 . 2 . . . . . 2 CYS HB3 . 51013 1 20 . 1 . 1 2 2 CYS CB C 13 41.045 0.3 . 1 . . . . . 2 CYS CB . 51013 1 21 . 1 . 1 3 3 ASN H H 1 8.907 0.020 . 1 . . . . . 3 ASN H . 51013 1 22 . 1 . 1 3 3 ASN HA H 1 4.960 0.020 . 1 . . . . . 3 ASN HA . 51013 1 23 . 1 . 1 3 3 ASN HB2 H 1 2.858 0.020 . 1 . . . . . 3 ASN HB2 . 51013 1 24 . 1 . 1 3 3 ASN HB3 H 1 2.858 0.020 . 1 . . . . . 3 ASN HB3 . 51013 1 25 . 1 . 1 3 3 ASN HD21 H 1 7.627 0.020 . 1 . . . . . 3 ASN HD21 . 51013 1 26 . 1 . 1 3 3 ASN HD22 H 1 6.947 0.020 . 1 . . . . . 3 ASN HD22 . 51013 1 27 . 1 . 1 3 3 ASN CB C 13 39.007 0.3 . 1 . . . . . 3 ASN CB . 51013 1 28 . 1 . 1 4 4 THR H H 1 7.626 0.020 . 1 . . . . . 4 THR H . 51013 1 29 . 1 . 1 4 4 THR HA H 1 4.509 0.020 . 1 . . . . . 4 THR HA . 51013 1 30 . 1 . 1 4 4 THR HB H 1 4.551 0.020 . 1 . . . . . 4 THR HB . 51013 1 31 . 1 . 1 4 4 THR HG21 H 1 1.274 0.020 . 1 . . . . . 4 THR HG21 . 51013 1 32 . 1 . 1 4 4 THR HG22 H 1 1.274 0.020 . 1 . . . . . 4 THR HG22 . 51013 1 33 . 1 . 1 4 4 THR HG23 H 1 1.274 0.020 . 1 . . . . . 4 THR HG23 . 51013 1 34 . 1 . 1 4 4 THR CA C 13 60.960 0.3 . 1 . . . . . 4 THR CA . 51013 1 35 . 1 . 1 4 4 THR CG2 C 13 21.481 0.3 . 1 . . . . . 4 THR CG2 . 51013 1 36 . 1 . 1 5 5 ALA H H 1 8.765 0.020 . 1 . . . . . 5 ALA H . 51013 1 37 . 1 . 1 5 5 ALA HA H 1 4.218 0.020 . 1 . . . . . 5 ALA HA . 51013 1 38 . 1 . 1 5 5 ALA HB1 H 1 1.478 0.020 . 1 . . . . . 5 ALA HB1 . 51013 1 39 . 1 . 1 5 5 ALA HB2 H 1 1.478 0.020 . 1 . . . . . 5 ALA HB2 . 51013 1 40 . 1 . 1 5 5 ALA HB3 H 1 1.478 0.020 . 1 . . . . . 5 ALA HB3 . 51013 1 41 . 1 . 1 5 5 ALA CB C 13 18.373 0.3 . 1 . . . . . 5 ALA CB . 51013 1 42 . 1 . 1 6 6 THR H H 1 7.989 0.020 . 1 . . . . . 6 THR H . 51013 1 43 . 1 . 1 6 6 THR HA H 1 4.234 0.020 . 1 . . . . . 6 THR HA . 51013 1 44 . 1 . 1 6 6 THR HB H 1 4.211 0.020 . 1 . . . . . 6 THR HB . 51013 1 45 . 1 . 1 6 6 THR HG21 H 1 1.197 0.020 . 1 . . . . . 6 THR HG21 . 51013 1 46 . 1 . 1 6 6 THR HG22 H 1 1.197 0.020 . 1 . . . . . 6 THR HG22 . 51013 1 47 . 1 . 1 6 6 THR HG23 H 1 1.197 0.020 . 1 . . . . . 6 THR HG23 . 51013 1 48 . 1 . 1 6 6 THR CG2 C 13 21.388 0.3 . 1 . . . . . 6 THR CG2 . 51013 1 49 . 1 . 1 7 7 CYS H H 1 8.078 0.020 . 1 . . . . . 7 CYS H . 51013 1 50 . 1 . 1 7 7 CYS HA H 1 4.483 0.020 . 1 . . . . . 7 CYS HA . 51013 1 51 . 1 . 1 7 7 CYS HB2 H 1 3.083 0.020 . 2 . . . . . 7 CYS HB2 . 51013 1 52 . 1 . 1 7 7 CYS HB3 H 1 3.272 0.020 . 2 . . . . . 7 CYS HB3 . 51013 1 53 . 1 . 1 7 7 CYS CA C 13 58.084 0.3 . 1 . . . . . 7 CYS CA . 51013 1 54 . 1 . 1 7 7 CYS CB C 13 40.761 0.3 . 1 . . . . . 7 CYS CB . 51013 1 55 . 1 . 1 8 8 ALA H H 1 8.238 0.020 . 1 . . . . . 8 ALA H . 51013 1 56 . 1 . 1 8 8 ALA HA H 1 4.245 0.020 . 1 . . . . . 8 ALA HA . 51013 1 57 . 1 . 1 8 8 ALA HB1 H 1 1.446 0.020 . 1 . . . . . 8 ALA HB1 . 51013 1 58 . 1 . 1 8 8 ALA HB2 H 1 1.446 0.020 . 1 . . . . . 8 ALA HB2 . 51013 1 59 . 1 . 1 8 8 ALA HB3 H 1 1.446 0.020 . 1 . . . . . 8 ALA HB3 . 51013 1 60 . 1 . 1 8 8 ALA CA C 13 54.004 0.3 . 1 . . . . . 8 ALA CA . 51013 1 61 . 1 . 1 8 8 ALA CB C 13 18.450 0.3 . 1 . . . . . 8 ALA CB . 51013 1 62 . 1 . 1 9 9 THR H H 1 8.159 0.020 . 1 . . . . . 9 THR H . 51013 1 63 . 1 . 1 9 9 THR HA H 1 4.172 0.020 . 1 . . . . . 9 THR HA . 51013 1 64 . 1 . 1 9 9 THR HB H 1 4.225 0.020 . 1 . . . . . 9 THR HB . 51013 1 65 . 1 . 1 9 9 THR HG21 H 1 1.230 0.020 . 1 . . . . . 9 THR HG21 . 51013 1 66 . 1 . 1 9 9 THR HG22 H 1 1.230 0.020 . 1 . . . . . 9 THR HG22 . 51013 1 67 . 1 . 1 9 9 THR HG23 H 1 1.230 0.020 . 1 . . . . . 9 THR HG23 . 51013 1 68 . 1 . 1 9 9 THR CA C 13 63.161 0.3 . 1 . . . . . 9 THR CA . 51013 1 69 . 1 . 1 9 9 THR CB C 13 69.274 0.3 . 1 . . . . . 9 THR CB . 51013 1 70 . 1 . 1 9 9 THR CG2 C 13 21.590 0.3 . 1 . . . . . 9 THR CG2 . 51013 1 71 . 1 . 1 10 10 GLN H H 1 8.224 0.020 . 1 . . . . . 10 GLN H . 51013 1 72 . 1 . 1 10 10 GLN HA H 1 4.226 0.020 . 1 . . . . . 10 GLN HA . 51013 1 73 . 1 . 1 10 10 GLN HB2 H 1 2.000 0.020 . 2 . . . . . 10 GLN HB2 . 51013 1 74 . 1 . 1 10 10 GLN HB3 H 1 2.099 0.020 . 2 . . . . . 10 GLN HB3 . 51013 1 75 . 1 . 1 10 10 GLN HG2 H 1 2.384 0.020 . 2 . . . . . 10 GLN HG2 . 51013 1 76 . 1 . 1 10 10 GLN HG3 H 1 2.387 0.020 . 2 . . . . . 10 GLN HG3 . 51013 1 77 . 1 . 1 10 10 GLN HE21 H 1 7.533 0.020 . 1 . . . . . 10 GLN HE21 . 51013 1 78 . 1 . 1 10 10 GLN HE22 H 1 6.890 0.020 . 1 . . . . . 10 GLN HE22 . 51013 1 79 . 1 . 1 10 10 GLN CG C 13 33.761 0.3 . 1 . . . . . 10 GLN CG . 51013 1 80 . 1 . 1 11 11 ARG H H 1 8.270 0.020 . 1 . . . . . 11 ARG H . 51013 1 81 . 1 . 1 11 11 ARG HA H 1 4.239 0.020 . 1 . . . . . 11 ARG HA . 51013 1 82 . 1 . 1 11 11 ARG HB2 H 1 1.821 0.020 . 1 . . . . . 11 ARG HB2 . 51013 1 83 . 1 . 1 11 11 ARG HB3 H 1 1.821 0.020 . 1 . . . . . 11 ARG HB3 . 51013 1 84 . 1 . 1 11 11 ARG HG2 H 1 1.589 0.020 . 2 . . . . . 11 ARG HG2 . 51013 1 85 . 1 . 1 11 11 ARG HG3 H 1 1.669 0.020 . 2 . . . . . 11 ARG HG3 . 51013 1 86 . 1 . 1 11 11 ARG HD2 H 1 3.174 0.020 . 1 . . . . . 11 ARG HD2 . 51013 1 87 . 1 . 1 11 11 ARG HD3 H 1 3.174 0.020 . 1 . . . . . 11 ARG HD3 . 51013 1 88 . 1 . 1 11 11 ARG HE H 1 7.265 0.020 . 1 . . . . . 11 ARG HE . 51013 1 89 . 1 . 1 11 11 ARG CA C 13 56.528 0.3 . 1 . . . . . 11 ARG CA . 51013 1 90 . 1 . 1 11 11 ARG CB C 13 30.401 0.3 . 1 . . . . . 11 ARG CB . 51013 1 91 . 1 . 1 11 11 ARG CG C 13 27.055 0.3 . 1 . . . . . 11 ARG CG . 51013 1 92 . 1 . 1 11 11 ARG CD C 13 43.110 0.3 . 1 . . . . . 11 ARG CD . 51013 1 93 . 1 . 1 12 12 LEU H H 1 8.129 0.020 . 1 . . . . . 12 LEU H . 51013 1 94 . 1 . 1 12 12 LEU HA H 1 4.290 0.020 . 1 . . . . . 12 LEU HA . 51013 1 95 . 1 . 1 12 12 LEU HB2 H 1 1.646 0.020 . 1 . . . . . 12 LEU HB2 . 51013 1 96 . 1 . 1 12 12 LEU HB3 H 1 1.646 0.020 . 1 . . . . . 12 LEU HB3 . 51013 1 97 . 1 . 1 12 12 LEU HD11 H 1 0.875 0.020 . 1 . . . . . 12 LEU HD11 . 51013 1 98 . 1 . 1 12 12 LEU HD12 H 1 0.875 0.020 . 1 . . . . . 12 LEU HD12 . 51013 1 99 . 1 . 1 12 12 LEU HD13 H 1 0.875 0.020 . 1 . . . . . 12 LEU HD13 . 51013 1 100 . 1 . 1 12 12 LEU CA C 13 55.214 0.3 . 1 . . . . . 12 LEU CA . 51013 1 101 . 1 . 1 12 12 LEU CD1 C 13 23.208 0.3 . 1 . . . . . 12 LEU CD1 . 51013 1 102 . 1 . 1 13 13 ALA H H 1 8.200 0.020 . 1 . . . . . 13 ALA H . 51013 1 103 . 1 . 1 13 13 ALA HA H 1 4.185 0.020 . 1 . . . . . 13 ALA HA . 51013 1 104 . 1 . 1 13 13 ALA HB1 H 1 1.343 0.020 . 1 . . . . . 13 ALA HB1 . 51013 1 105 . 1 . 1 13 13 ALA HB2 H 1 1.343 0.020 . 1 . . . . . 13 ALA HB2 . 51013 1 106 . 1 . 1 13 13 ALA HB3 H 1 1.343 0.020 . 1 . . . . . 13 ALA HB3 . 51013 1 107 . 1 . 1 13 13 ALA CA C 13 52.817 0.3 . 1 . . . . . 13 ALA CA . 51013 1 108 . 1 . 1 13 13 ALA CB C 13 18.619 0.3 . 1 . . . . . 13 ALA CB . 51013 1 109 . 1 . 1 14 14 ASN H H 1 8.243 0.020 . 1 . . . . . 14 ASN H . 51013 1 110 . 1 . 1 14 14 ASN HA H 1 4.566 0.020 . 1 . . . . . 14 ASN HA . 51013 1 111 . 1 . 1 14 14 ASN HB2 H 1 2.724 0.020 . 1 . . . . . 14 ASN HB2 . 51013 1 112 . 1 . 1 14 14 ASN HB3 H 1 2.724 0.020 . 1 . . . . . 14 ASN HB3 . 51013 1 113 . 1 . 1 14 14 ASN CB C 13 38.436 0.3 . 1 . . . . . 14 ASN CB . 51013 1 114 . 1 . 1 15 15 PHE H H 1 8.051 0.020 . 1 . . . . . 15 PHE H . 51013 1 115 . 1 . 1 15 15 PHE HA H 1 4.535 0.020 . 1 . . . . . 15 PHE HA . 51013 1 116 . 1 . 1 15 15 PHE HB2 H 1 3.086 0.020 . 2 . . . . . 15 PHE HB2 . 51013 1 117 . 1 . 1 15 15 PHE HB3 H 1 3.181 0.020 . 2 . . . . . 15 PHE HB3 . 51013 1 118 . 1 . 1 15 15 PHE HD1 H 1 7.235 0.020 . 3 . . . . . 15 PHE HD1 . 51013 1 119 . 1 . 1 15 15 PHE HD2 H 1 7.250 0.020 . 3 . . . . . 15 PHE HD2 . 51013 1 120 . 1 . 1 15 15 PHE HE1 H 1 7.333 0.020 . 1 . . . . . 15 PHE HE1 . 51013 1 121 . 1 . 1 15 15 PHE HE2 H 1 7.333 0.020 . 1 . . . . . 15 PHE HE2 . 51013 1 122 . 1 . 1 15 15 PHE CA C 13 58.003 0.3 . 1 . . . . . 15 PHE CA . 51013 1 123 . 1 . 1 15 15 PHE CB C 13 39.000 0.3 . 1 . . . . . 15 PHE CB . 51013 1 124 . 1 . 1 15 15 PHE CD1 C 13 131.520 0.3 . 1 . . . . . 15 PHE CD1 . 51013 1 125 . 1 . 1 15 15 PHE CD2 C 13 131.556 0.3 . 1 . . . . . 15 PHE CD2 . 51013 1 126 . 1 . 1 15 15 PHE CE1 C 13 131.127 0.3 . 1 . . . . . 15 PHE CE1 . 51013 1 127 . 1 . 1 15 15 PHE CE2 C 13 131.204 0.3 . 1 . . . . . 15 PHE CE2 . 51013 1 128 . 1 . 1 16 16 LEU H H 1 8.073 0.020 . 1 . . . . . 16 LEU H . 51013 1 129 . 1 . 1 16 16 LEU HA H 1 4.242 0.020 . 1 . . . . . 16 LEU HA . 51013 1 130 . 1 . 1 16 16 LEU HB2 H 1 1.492 0.020 . 2 . . . . . 16 LEU HB2 . 51013 1 131 . 1 . 1 16 16 LEU HB3 H 1 1.634 0.020 . 2 . . . . . 16 LEU HB3 . 51013 1 132 . 1 . 1 16 16 LEU HG H 1 1.631 0.020 . 1 . . . . . 16 LEU HG . 51013 1 133 . 1 . 1 16 16 LEU HD11 H 1 0.840 0.020 . 1 . . . . . 16 LEU HD11 . 51013 1 134 . 1 . 1 16 16 LEU HD12 H 1 0.840 0.020 . 1 . . . . . 16 LEU HD12 . 51013 1 135 . 1 . 1 16 16 LEU HD13 H 1 0.840 0.020 . 1 . . . . . 16 LEU HD13 . 51013 1 136 . 1 . 1 16 16 LEU HD21 H 1 0.909 0.020 . 1 . . . . . 16 LEU HD21 . 51013 1 137 . 1 . 1 16 16 LEU HD22 H 1 0.909 0.020 . 1 . . . . . 16 LEU HD22 . 51013 1 138 . 1 . 1 16 16 LEU HD23 H 1 0.909 0.020 . 1 . . . . . 16 LEU HD23 . 51013 1 139 . 1 . 1 16 16 LEU CA C 13 54.885 0.3 . 1 . . . . . 16 LEU CA . 51013 1 140 . 1 . 1 16 16 LEU CB C 13 42.081 0.3 . 1 . . . . . 16 LEU CB . 51013 1 141 . 1 . 1 16 16 LEU CG C 13 26.646 0.3 . 1 . . . . . 16 LEU CG . 51013 1 142 . 1 . 1 16 16 LEU CD1 C 13 23.202 0.3 . 1 . . . . . 16 LEU CD1 . 51013 1 143 . 1 . 1 16 16 LEU CD2 C 13 24.626 0.3 . 1 . . . . . 16 LEU CD2 . 51013 1 144 . 1 . 1 17 17 VAL H H 1 7.971 0.020 . 1 . . . . . 17 VAL H . 51013 1 145 . 1 . 1 17 17 VAL HA H 1 3.973 0.020 . 1 . . . . . 17 VAL HA . 51013 1 146 . 1 . 1 17 17 VAL HB H 1 2.013 0.020 . 1 . . . . . 17 VAL HB . 51013 1 147 . 1 . 1 17 17 VAL HG11 H 1 0.849 0.020 . 1 . . . . . 17 VAL HG11 . 51013 1 148 . 1 . 1 17 17 VAL HG12 H 1 0.849 0.020 . 1 . . . . . 17 VAL HG12 . 51013 1 149 . 1 . 1 17 17 VAL HG13 H 1 0.849 0.020 . 1 . . . . . 17 VAL HG13 . 51013 1 150 . 1 . 1 17 17 VAL HG21 H 1 0.918 0.020 . 1 . . . . . 17 VAL HG21 . 51013 1 151 . 1 . 1 17 17 VAL HG22 H 1 0.918 0.020 . 1 . . . . . 17 VAL HG22 . 51013 1 152 . 1 . 1 17 17 VAL HG23 H 1 0.918 0.020 . 1 . . . . . 17 VAL HG23 . 51013 1 153 . 1 . 1 17 17 VAL CA C 13 62.426 0.3 . 1 . . . . . 17 VAL CA . 51013 1 154 . 1 . 1 17 17 VAL CG1 C 13 20.852 0.3 . 1 . . . . . 17 VAL CG1 . 51013 1 155 . 1 . 1 17 17 VAL CG2 C 13 20.852 0.3 . 1 . . . . . 17 VAL CG2 . 51013 1 156 . 1 . 1 18 18 HIS H H 1 8.587 0.020 . 1 . . . . . 18 HIS H . 51013 1 157 . 1 . 1 18 18 HIS HA H 1 4.730 0.020 . 1 . . . . . 18 HIS HA . 51013 1 158 . 1 . 1 18 18 HIS HB2 H 1 3.165 0.020 . 2 . . . . . 18 HIS HB2 . 51013 1 159 . 1 . 1 18 18 HIS HB3 H 1 3.250 0.020 . 2 . . . . . 18 HIS HB3 . 51013 1 160 . 1 . 1 18 18 HIS HD2 H 1 7.275 0.020 . 1 . . . . . 18 HIS HD2 . 51013 1 161 . 1 . 1 18 18 HIS HE1 H 1 8.573 0.020 . 1 . . . . . 18 HIS HE1 . 51013 1 162 . 1 . 1 18 18 HIS CB C 13 28.712 0.3 . 1 . . . . . 18 HIS CB . 51013 1 163 . 1 . 1 19 19 SER H H 1 8.402 0.020 . 1 . . . . . 19 SER H . 51013 1 164 . 1 . 1 19 19 SER HA H 1 4.457 0.020 . 1 . . . . . 19 SER HA . 51013 1 165 . 1 . 1 19 19 SER HB2 H 1 3.794 0.020 . 2 . . . . . 19 SER HB2 . 51013 1 166 . 1 . 1 19 19 SER HB3 H 1 3.877 0.020 . 2 . . . . . 19 SER HB3 . 51013 1 167 . 1 . 1 19 19 SER CA C 13 58.134 0.3 . 1 . . . . . 19 SER CA . 51013 1 168 . 1 . 1 19 19 SER CB C 13 63.554 0.3 . 1 . . . . . 19 SER CB . 51013 1 169 . 1 . 1 20 20 SER H H 1 8.517 0.020 . 1 . . . . . 20 SER H . 51013 1 170 . 1 . 1 20 20 SER HA H 1 4.452 0.020 . 1 . . . . . 20 SER HA . 51013 1 171 . 1 . 1 20 20 SER HB2 H 1 3.861 0.020 . 1 . . . . . 20 SER HB2 . 51013 1 172 . 1 . 1 20 20 SER HB3 H 1 3.861 0.020 . 1 . . . . . 20 SER HB3 . 51013 1 173 . 1 . 1 20 20 SER CA C 13 58.134 0.3 . 1 . . . . . 20 SER CA . 51013 1 174 . 1 . 1 20 20 SER CB C 13 63.554 0.3 . 1 . . . . . 20 SER CB . 51013 1 175 . 1 . 1 21 21 ASN H H 1 8.460 0.020 . 1 . . . . . 21 ASN H . 51013 1 176 . 1 . 1 21 21 ASN HA H 1 4.646 0.020 . 1 . . . . . 21 ASN HA . 51013 1 177 . 1 . 1 21 21 ASN HB2 H 1 2.673 0.020 . 2 . . . . . 21 ASN HB2 . 51013 1 178 . 1 . 1 21 21 ASN HB3 H 1 2.710 0.020 . 2 . . . . . 21 ASN HB3 . 51013 1 179 . 1 . 1 21 21 ASN CA C 13 52.766 0.3 . 1 . . . . . 21 ASN CA . 51013 1 180 . 1 . 1 21 21 ASN CB C 13 38.537 0.3 . 1 . . . . . 21 ASN CB . 51013 1 181 . 1 . 1 22 22 ASN H H 1 8.348 0.020 . 1 . . . . . 22 ASN H . 51013 1 182 . 1 . 1 22 22 ASN HA H 1 4.648 0.020 . 1 . . . . . 22 ASN HA . 51013 1 183 . 1 . 1 22 22 ASN HB2 H 1 2.629 0.020 . 2 . . . . . 22 ASN HB2 . 51013 1 184 . 1 . 1 22 22 ASN HB3 H 1 2.730 0.020 . 2 . . . . . 22 ASN HB3 . 51013 1 185 . 1 . 1 22 22 ASN HD21 H 1 7.558 0.020 . 1 . . . . . 22 ASN HD21 . 51013 1 186 . 1 . 1 22 22 ASN HD22 H 1 6.898 0.020 . 1 . . . . . 22 ASN HD22 . 51013 1 187 . 1 . 1 22 22 ASN CA C 13 52.766 0.3 . 1 . . . . . 22 ASN CA . 51013 1 188 . 1 . 1 22 22 ASN CB C 13 38.429 0.3 . 1 . . . . . 22 ASN CB . 51013 1 189 . 1 . 1 23 23 PHE H H 1 8.283 0.020 . 1 . . . . . 23 PHE H . 51013 1 190 . 1 . 1 23 23 PHE HA H 1 4.533 0.020 . 1 . . . . . 23 PHE HA . 51013 1 191 . 1 . 1 23 23 PHE HB2 H 1 3.030 0.020 . 2 . . . . . 23 PHE HB2 . 51013 1 192 . 1 . 1 23 23 PHE HB3 H 1 3.177 0.020 . 2 . . . . . 23 PHE HB3 . 51013 1 193 . 1 . 1 23 23 PHE HD1 H 1 7.222 0.020 . 3 . . . . . 23 PHE HD1 . 51013 1 194 . 1 . 1 23 23 PHE HD2 H 1 7.238 0.020 . 3 . . . . . 23 PHE HD2 . 51013 1 195 . 1 . 1 23 23 PHE HE1 H 1 7.344 0.020 . 3 . . . . . 23 PHE HE1 . 51013 1 196 . 1 . 1 23 23 PHE HE2 H 1 7.356 0.020 . 3 . . . . . 23 PHE HE2 . 51013 1 197 . 1 . 1 23 23 PHE CA C 13 57.840 0.3 . 1 . . . . . 23 PHE CA . 51013 1 198 . 1 . 1 23 23 PHE CB C 13 39.021 0.3 . 1 . . . . . 23 PHE CB . 51013 1 199 . 1 . 1 23 23 PHE CD1 C 13 131.431 0.3 . 1 . . . . . 23 PHE CD1 . 51013 1 200 . 1 . 1 23 23 PHE CD2 C 13 131.357 0.3 . 1 . . . . . 23 PHE CD2 . 51013 1 201 . 1 . 1 23 23 PHE CE1 C 13 131.364 0.3 . 1 . . . . . 23 PHE CE1 . 51013 1 202 . 1 . 1 23 23 PHE CE2 C 13 131.201 0.3 . 1 . . . . . 23 PHE CE2 . 51013 1 203 . 1 . 1 24 24 GLY H H 1 8.349 0.020 . 1 . . . . . 24 GLY H . 51013 1 204 . 1 . 1 24 24 GLY HA2 H 1 3.822 0.020 . 2 . . . . . 24 GLY HA2 . 51013 1 205 . 1 . 1 24 24 GLY HA3 H 1 3.872 0.020 . 2 . . . . . 24 GLY HA3 . 51013 1 206 . 1 . 1 24 24 GLY CA C 13 45.145 0.3 . 1 . . . . . 24 GLY CA . 51013 1 207 . 1 . 1 25 25 ALA H H 1 8.035 0.020 . 1 . . . . . 25 ALA H . 51013 1 208 . 1 . 1 25 25 ALA HA H 1 4.290 0.020 . 1 . . . . . 25 ALA HA . 51013 1 209 . 1 . 1 25 25 ALA HB1 H 1 1.347 0.020 . 1 . . . . . 25 ALA HB1 . 51013 1 210 . 1 . 1 25 25 ALA HB2 H 1 1.347 0.020 . 1 . . . . . 25 ALA HB2 . 51013 1 211 . 1 . 1 25 25 ALA HB3 H 1 1.347 0.020 . 1 . . . . . 25 ALA HB3 . 51013 1 212 . 1 . 1 25 25 ALA CA C 13 52.380 0.3 . 1 . . . . . 25 ALA CA . 51013 1 213 . 1 . 1 25 25 ALA CB C 13 19.120 0.3 . 1 . . . . . 25 ALA CB . 51013 1 214 . 1 . 1 26 26 ILE H H 1 8.222 0.020 . 1 . . . . . 26 ILE H . 51013 1 215 . 1 . 1 26 26 ILE HA H 1 4.111 0.020 . 1 . . . . . 26 ILE HA . 51013 1 216 . 1 . 1 26 26 ILE HB H 1 1.836 0.020 . 1 . . . . . 26 ILE HB . 51013 1 217 . 1 . 1 26 26 ILE HG12 H 1 1.173 0.020 . 2 . . . . . 26 ILE HG12 . 51013 1 218 . 1 . 1 26 26 ILE HG13 H 1 1.173 0.020 . 1 . . . . . 26 ILE HG13 . 51013 1 219 . 1 . 1 26 26 ILE HG21 H 1 0.876 0.020 . 1 . . . . . 26 ILE HG21 . 51013 1 220 . 1 . 1 26 26 ILE HG22 H 1 0.876 0.020 . 1 . . . . . 26 ILE HG22 . 51013 1 221 . 1 . 1 26 26 ILE HG23 H 1 0.876 0.020 . 1 . . . . . 26 ILE HG23 . 51013 1 222 . 1 . 1 26 26 ILE HD11 H 1 0.838 0.020 . 1 . . . . . 26 ILE HD11 . 51013 1 223 . 1 . 1 26 26 ILE HD12 H 1 0.838 0.020 . 1 . . . . . 26 ILE HD12 . 51013 1 224 . 1 . 1 26 26 ILE HD13 H 1 0.838 0.020 . 1 . . . . . 26 ILE HD13 . 51013 1 225 . 1 . 1 26 26 ILE CA C 13 60.912 0.3 . 1 . . . . . 26 ILE CA . 51013 1 226 . 1 . 1 26 26 ILE CB C 13 38.204 0.3 . 1 . . . . . 26 ILE CB . 51013 1 227 . 1 . 1 26 26 ILE CG1 C 13 26.827 0.3 . 1 . . . . . 26 ILE CG1 . 51013 1 228 . 1 . 1 26 26 ILE CG2 C 13 17.267 0.3 . 1 . . . . . 26 ILE CG2 . 51013 1 229 . 1 . 1 26 26 ILE CD1 C 13 12.479 0.3 . 1 . . . . . 26 ILE CD1 . 51013 1 230 . 1 . 1 27 27 LEU H H 1 8.448 0.020 . 1 . . . . . 27 LEU H . 51013 1 231 . 1 . 1 27 27 LEU HA H 1 4.403 0.020 . 1 . . . . . 27 LEU HA . 51013 1 232 . 1 . 1 27 27 LEU HB2 H 1 1.599 0.020 . 1 . . . . . 27 LEU HB2 . 51013 1 233 . 1 . 1 27 27 LEU HB3 H 1 1.599 0.020 . 1 . . . . . 27 LEU HB3 . 51013 1 234 . 1 . 1 27 27 LEU HG H 1 1.627 0.020 . 1 . . . . . 27 LEU HG . 51013 1 235 . 1 . 1 27 27 LEU HD11 H 1 0.841 0.020 . 1 . . . . . 27 LEU HD11 . 51013 1 236 . 1 . 1 27 27 LEU HD12 H 1 0.841 0.020 . 1 . . . . . 27 LEU HD12 . 51013 1 237 . 1 . 1 27 27 LEU HD13 H 1 0.841 0.020 . 1 . . . . . 27 LEU HD13 . 51013 1 238 . 1 . 1 27 27 LEU HD21 H 1 0.897 0.020 . 1 . . . . . 27 LEU HD21 . 51013 1 239 . 1 . 1 27 27 LEU HD22 H 1 0.897 0.020 . 1 . . . . . 27 LEU HD22 . 51013 1 240 . 1 . 1 27 27 LEU HD23 H 1 0.897 0.020 . 1 . . . . . 27 LEU HD23 . 51013 1 241 . 1 . 1 27 27 LEU CA C 13 54.891 0.3 . 1 . . . . . 27 LEU CA . 51013 1 242 . 1 . 1 27 27 LEU CB C 13 42.153 0.3 . 1 . . . . . 27 LEU CB . 51013 1 243 . 1 . 1 27 27 LEU CG C 13 26.760 0.3 . 1 . . . . . 27 LEU CG . 51013 1 244 . 1 . 1 27 27 LEU CD1 C 13 23.202 0.3 . 1 . . . . . 27 LEU CD1 . 51013 1 245 . 1 . 1 27 27 LEU CD2 C 13 24.651 0.3 . 1 . . . . . 27 LEU CD2 . 51013 1 246 . 1 . 1 28 28 SER H H 1 8.398 0.020 . 1 . . . . . 28 SER H . 51013 1 247 . 1 . 1 28 28 SER HA H 1 4.444 0.020 . 1 . . . . . 28 SER HA . 51013 1 248 . 1 . 1 28 28 SER HB2 H 1 3.838 0.020 . 1 . . . . . 28 SER HB2 . 51013 1 249 . 1 . 1 28 28 SER HB3 H 1 3.838 0.020 . 1 . . . . . 28 SER HB3 . 51013 1 250 . 1 . 1 28 28 SER CA C 13 58.134 0.3 . 1 . . . . . 28 SER CA . 51013 1 251 . 1 . 1 28 28 SER CB C 13 63.553 0.3 . 1 . . . . . 28 SER CB . 51013 1 252 . 1 . 1 29 29 SER H H 1 8.463 0.020 . 1 . . . . . 29 SER H . 51013 1 253 . 1 . 1 29 29 SER HA H 1 4.506 0.020 . 1 . . . . . 29 SER HA . 51013 1 254 . 1 . 1 29 29 SER HB2 H 1 3.890 0.020 . 1 . . . . . 29 SER HB2 . 51013 1 255 . 1 . 1 29 29 SER HB3 H 1 3.890 0.020 . 1 . . . . . 29 SER HB3 . 51013 1 256 . 1 . 1 29 29 SER CA C 13 58.080 0.3 . 1 . . . . . 29 SER CA . 51013 1 257 . 1 . 1 29 29 SER CB C 13 63.540 0.3 . 1 . . . . . 29 SER CB . 51013 1 258 . 1 . 1 30 30 THR H H 1 8.204 0.020 . 1 . . . . . 30 THR H . 51013 1 259 . 1 . 1 30 30 THR HA H 1 4.349 0.020 . 1 . . . . . 30 THR HA . 51013 1 260 . 1 . 1 30 30 THR HB H 1 4.223 0.020 . 1 . . . . . 30 THR HB . 51013 1 261 . 1 . 1 30 30 THR HG21 H 1 1.182 0.020 . 1 . . . . . 30 THR HG21 . 51013 1 262 . 1 . 1 30 30 THR HG22 H 1 1.182 0.020 . 1 . . . . . 30 THR HG22 . 51013 1 263 . 1 . 1 30 30 THR HG23 H 1 1.182 0.020 . 1 . . . . . 30 THR HG23 . 51013 1 264 . 1 . 1 30 30 THR CB C 13 69.150 0.3 . 1 . . . . . 30 THR CB . 51013 1 265 . 1 . 1 30 30 THR CG2 C 13 21.295 0.3 . 1 . . . . . 30 THR CG2 . 51013 1 266 . 1 . 1 31 31 ASN H H 1 8.451 0.020 . 1 . . . . . 31 ASN H . 51013 1 267 . 1 . 1 31 31 ASN HA H 1 4.747 0.020 . 1 . . . . . 31 ASN HA . 51013 1 268 . 1 . 1 31 31 ASN HB2 H 1 2.741 0.020 . 2 . . . . . 31 ASN HB2 . 51013 1 269 . 1 . 1 31 31 ASN HB3 H 1 2.819 0.020 . 2 . . . . . 31 ASN HB3 . 51013 1 270 . 1 . 1 31 31 ASN CB C 13 38.648 0.3 . 1 . . . . . 31 ASN CB . 51013 1 271 . 1 . 1 32 32 VAL H H 1 8.221 0.020 . 1 . . . . . 32 VAL H . 51013 1 272 . 1 . 1 32 32 VAL HA H 1 4.098 0.020 . 1 . . . . . 32 VAL HA . 51013 1 273 . 1 . 1 32 32 VAL HB H 1 2.117 0.020 . 1 . . . . . 32 VAL HB . 51013 1 274 . 1 . 1 32 32 VAL HG11 H 1 0.929 0.020 . 1 . . . . . 32 VAL HG11 . 51013 1 275 . 1 . 1 32 32 VAL HG12 H 1 0.929 0.020 . 1 . . . . . 32 VAL HG12 . 51013 1 276 . 1 . 1 32 32 VAL HG13 H 1 0.929 0.020 . 1 . . . . . 32 VAL HG13 . 51013 1 277 . 1 . 1 32 32 VAL HG21 H 1 0.929 0.020 . 1 . . . . . 32 VAL HG21 . 51013 1 278 . 1 . 1 32 32 VAL HG22 H 1 0.929 0.020 . 1 . . . . . 32 VAL HG22 . 51013 1 279 . 1 . 1 32 32 VAL HG23 H 1 0.929 0.020 . 1 . . . . . 32 VAL HG23 . 51013 1 280 . 1 . 1 32 32 VAL CA C 13 62.280 0.3 . 1 . . . . . 32 VAL CA . 51013 1 281 . 1 . 1 32 32 VAL CB C 13 32.455 0.3 . 1 . . . . . 32 VAL CB . 51013 1 282 . 1 . 1 32 32 VAL CG1 C 13 20.154 0.3 . 1 . . . . . 32 VAL CG1 . 51013 1 283 . 1 . 1 32 32 VAL CG2 C 13 20.154 0.3 . 1 . . . . . 32 VAL CG2 . 51013 1 284 . 1 . 1 33 33 GLY H H 1 8.567 0.020 . 1 . . . . . 33 GLY H . 51013 1 285 . 1 . 1 33 33 GLY HA2 H 1 3.975 0.020 . 1 . . . . . 33 GLY HA2 . 51013 1 286 . 1 . 1 33 33 GLY HA3 H 1 3.975 0.020 . 1 . . . . . 33 GLY HA3 . 51013 1 287 . 1 . 1 33 33 GLY CA C 13 45.037 0.3 . 1 . . . . . 33 GLY CA . 51013 1 288 . 1 . 1 34 34 SER H H 1 8.269 0.020 . 1 . . . . . 34 SER H . 51013 1 289 . 1 . 1 34 34 SER HA H 1 4.419 0.020 . 1 . . . . . 34 SER HA . 51013 1 290 . 1 . 1 34 34 SER HB2 H 1 3.827 0.020 . 2 . . . . . 34 SER HB2 . 51013 1 291 . 1 . 1 34 34 SER HB3 H 1 3.872 0.020 . 2 . . . . . 34 SER HB3 . 51013 1 292 . 1 . 1 34 34 SER CA C 13 58.410 0.3 . 1 . . . . . 34 SER CA . 51013 1 293 . 1 . 1 34 34 SER CB C 13 63.554 0.3 . 1 . . . . . 34 SER CB . 51013 1 294 . 1 . 1 35 35 ASN H H 1 8.579 0.020 . 1 . . . . . 35 ASN H . 51013 1 295 . 1 . 1 35 35 ASN HA H 1 4.751 0.020 . 1 . . . . . 35 ASN HA . 51013 1 296 . 1 . 1 35 35 ASN HB2 H 1 2.759 0.020 . 1 . . . . . 35 ASN HB2 . 51013 1 297 . 1 . 1 35 35 ASN HB3 H 1 2.759 0.020 . 1 . . . . . 35 ASN HB3 . 51013 1 298 . 1 . 1 35 35 ASN CB C 13 38.451 0.3 . 1 . . . . . 35 ASN CB . 51013 1 299 . 1 . 1 36 36 THR H H 1 8.113 0.020 . 1 . . . . . 36 THR H . 51013 1 300 . 1 . 1 36 36 THR HA H 1 4.206 0.020 . 1 . . . . . 36 THR HA . 51013 1 301 . 1 . 1 36 36 THR HB H 1 4.086 0.020 . 1 . . . . . 36 THR HB . 51013 1 302 . 1 . 1 36 36 THR HG21 H 1 1.060 0.020 . 1 . . . . . 36 THR HG21 . 51013 1 303 . 1 . 1 36 36 THR HG22 H 1 1.060 0.020 . 1 . . . . . 36 THR HG22 . 51013 1 304 . 1 . 1 36 36 THR HG23 H 1 1.060 0.020 . 1 . . . . . 36 THR HG23 . 51013 1 305 . 1 . 1 36 36 THR CA C 13 61.802 0.3 . 1 . . . . . 36 THR CA . 51013 1 306 . 1 . 1 36 36 THR CB C 13 69.539 0.3 . 1 . . . . . 36 THR CB . 51013 1 307 . 1 . 1 36 36 THR CG2 C 13 21.255 0.3 . 1 . . . . . 36 THR CG2 . 51013 1 308 . 1 . 1 37 37 TYR H H 1 8.186 0.020 . 1 . . . . . 37 TYR H . 51013 1 309 . 1 . 1 37 37 TYR HA H 1 4.523 0.020 . 1 . . . . . 37 TYR HA . 51013 1 310 . 1 . 1 37 37 TYR HB2 H 1 2.921 0.020 . 2 . . . . . 37 TYR HB2 . 51013 1 311 . 1 . 1 37 37 TYR HB3 H 1 3.081 0.020 . 2 . . . . . 37 TYR HB3 . 51013 1 312 . 1 . 1 37 37 TYR HD1 H 1 7.122 0.020 . 1 . . . . . 37 TYR HD1 . 51013 1 313 . 1 . 1 37 37 TYR HD2 H 1 7.122 0.020 . 1 . . . . . 37 TYR HD2 . 51013 1 314 . 1 . 1 37 37 TYR HE1 H 1 6.810 0.020 . 1 . . . . . 37 TYR HE1 . 51013 1 315 . 1 . 1 37 37 TYR HE2 H 1 6.810 0.020 . 1 . . . . . 37 TYR HE2 . 51013 1 316 . 1 . 1 37 37 TYR CA C 13 57.778 0.3 . 1 . . . . . 37 TYR CA . 51013 1 317 . 1 . 1 37 37 TYR CE1 C 13 117.949 0.3 . 1 . . . . . 37 TYR CE1 . 51013 1 318 . 1 . 1 37 37 TYR CE2 C 13 117.949 0.3 . 1 . . . . . 37 TYR CE2 . 51013 1 319 . 1 . 1 38 38 NH2 HN1 H 1 7.127 0.020 . 1 . . . . . 38 NH2 HT21 . 51013 1 320 . 1 . 1 38 38 NH2 HN2 H 1 7.502 0.020 . 1 . . . . . 38 NH2 HT22 . 51013 1 stop_ save_