################################### # 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 53308 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Erythropoietin-derived peptide ML1-C1' _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' . . . 53308 1 2 '2D 1H-1H ROESY' . . . 53308 1 3 '2D 1H-1H NOESY' . . . 53308 1 4 '2D 1H-13C HSQC' . . . 53308 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 . . 53308 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 LEU H H 1 8.129 0.001 . . . 5 . . . 1 LEU H . 53308 1 2 . 1 . 1 1 1 LEU HA H 1 4.307 0 . . . 1 . . . 1 LEU HA . 53308 1 3 . 1 . 1 1 1 LEU HB2 H 1 1.647 0.006 . . . 3 . . . 1 LEU HB2 . 53308 1 4 . 1 . 1 1 1 LEU HB3 H 1 1.584 0 . . . 2 . . . 1 LEU HB3 . 53308 1 5 . 1 . 1 1 1 LEU HG H 1 1.608 0 . . . 1 . . . 1 LEU HG . 53308 1 6 . 1 . 1 1 1 LEU HD11 H 1 0.93 0.002 . . . 3 . . . 1 LEU HD1 . 53308 1 7 . 1 . 1 1 1 LEU HD12 H 1 0.93 0.002 . . . 3 . . . 1 LEU HD1 . 53308 1 8 . 1 . 1 1 1 LEU HD13 H 1 0.93 0.002 . . . 3 . . . 1 LEU HD1 . 53308 1 9 . 1 . 1 1 1 LEU HD21 H 1 0.87 0.002 . . . 2 . . . 1 LEU HD2 . 53308 1 10 . 1 . 1 1 1 LEU HD22 H 1 0.87 0.002 . . . 2 . . . 1 LEU HD2 . 53308 1 11 . 1 . 1 1 1 LEU HD23 H 1 0.87 0.002 . . . 2 . . . 1 LEU HD2 . 53308 1 12 . 1 . 1 1 1 LEU CA C 13 55.348 0 . . . 1 . . . 1 LEU CA . 53308 1 13 . 1 . 1 1 1 LEU CB C 13 42.23 0.004 . . . 2 . . . 1 LEU CB . 53308 1 14 . 1 . 1 1 1 LEU CG C 13 26.795 0 . . . 1 . . . 1 LEU CG . 53308 1 15 . 1 . 1 1 1 LEU CD1 C 13 24.848 0 . . . 1 . . . 1 LEU CD1 . 53308 1 16 . 1 . 1 1 1 LEU CD2 C 13 23.378 0 . . . 1 . . . 1 LEU CD2 . 53308 1 17 . 1 . 1 2 2 ASP HA H 1 4.694 0.002 . . . 4 . . . 2 ASP HA . 53308 1 18 . 1 . 1 2 2 ASP HB2 H 1 2.729 0 . . . 2 . . . 2 ASP HB2 . 53308 1 19 . 1 . 1 2 2 ASP HB3 H 1 2.554 0.002 . . . 4 . . . 2 ASP HB3 . 53308 1 20 . 1 . 1 2 2 ASP CA C 13 54.127 0 . . . 1 . . . 2 ASP CA . 53308 1 21 . 1 . 1 2 2 ASP CB C 13 41.144 0.006 . . . 2 . . . 2 ASP CB . 53308 1 22 . 1 . 1 3 3 LEU H H 1 8.368 0.007 . . . 8 . . . 3 LEU H . 53308 1 23 . 1 . 1 3 3 LEU HA H 1 4.32 0.003 . . . 12 . . . 3 LEU HA . 53308 1 24 . 1 . 1 3 3 LEU HB2 H 1 1.639 0.002 . . . 3 . . . 3 LEU HB2 . 53308 1 25 . 1 . 1 3 3 LEU HB3 H 1 1.602 0 . . . 1 . . . 3 LEU HB3 . 53308 1 26 . 1 . 1 3 3 LEU HG H 1 1.633 0 . . . 1 . . . 3 LEU HG . 53308 1 27 . 1 . 1 3 3 LEU HD11 H 1 0.928 0.003 . . . 6 . . . 3 LEU HD1 . 53308 1 28 . 1 . 1 3 3 LEU HD12 H 1 0.928 0.003 . . . 6 . . . 3 LEU HD1 . 53308 1 29 . 1 . 1 3 3 LEU HD13 H 1 0.928 0.003 . . . 6 . . . 3 LEU HD1 . 53308 1 30 . 1 . 1 3 3 LEU HD21 H 1 0.872 0.002 . . . 6 . . . 3 LEU HD2 . 53308 1 31 . 1 . 1 3 3 LEU HD22 H 1 0.872 0.002 . . . 6 . . . 3 LEU HD2 . 53308 1 32 . 1 . 1 3 3 LEU HD23 H 1 0.872 0.002 . . . 6 . . . 3 LEU HD2 . 53308 1 33 . 1 . 1 3 3 LEU CA C 13 55.348 0 . . . 1 . . . 3 LEU CA . 53308 1 34 . 1 . 1 3 3 LEU CB C 13 42.374 0.001 . . . 2 . . . 3 LEU CB . 53308 1 35 . 1 . 1 3 3 LEU CG C 13 26.795 0 . . . 1 . . . 3 LEU CG . 53308 1 36 . 1 . 1 4 4 GLU H H 1 8.462 0.003 . . . 9 . . . 4 GLU H . 53308 1 37 . 1 . 1 4 4 GLU HA H 1 4.285 0.001 . . . 20 . . . 4 GLU HA . 53308 1 38 . 1 . 1 4 4 GLU HB2 H 1 2.043 0.003 . . . 15 . . . 4 GLU HB2 . 53308 1 39 . 1 . 1 4 4 GLU HB3 H 1 1.964 0.004 . . . 16 . . . 4 GLU HB3 . 53308 1 40 . 1 . 1 4 4 GLU HG2 H 1 2.277 0.003 . . . 16 . . . 4 GLU HG2 . 53308 1 41 . 1 . 1 4 4 GLU HG3 H 1 2.223 0.002 . . . 18 . . . 4 GLU HG3 . 53308 1 42 . 1 . 1 4 4 GLU CA C 13 56.592 0 . . . 1 . . . 4 GLU CA . 53308 1 43 . 1 . 1 4 4 GLU CB C 13 29.92 0.002 . . . 2 . . . 4 GLU CB . 53308 1 44 . 1 . 1 4 4 GLU CG C 13 36.242 0.001 . . . 2 . . . 4 GLU CG . 53308 1 45 . 1 . 1 5 5 VAL H H 1 8.032 0.006 . . . 20 . . . 5 VAL H . 53308 1 46 . 1 . 1 5 5 VAL HA H 1 4.053 0.002 . . . 21 . . . 5 VAL HA . 53308 1 47 . 1 . 1 5 5 VAL HB H 1 2.075 0.003 . . . 19 . . . 5 VAL HB . 53308 1 48 . 1 . 1 5 5 VAL HG11 H 1 0.934 0.004 . . . 13 . . . 5 VAL HG . 53308 1 49 . 1 . 1 5 5 VAL HG12 H 1 0.934 0.004 . . . 13 . . . 5 VAL HG . 53308 1 50 . 1 . 1 5 5 VAL HG13 H 1 0.934 0.004 . . . 13 . . . 5 VAL HG . 53308 1 51 . 1 . 1 5 5 VAL HG21 H 1 0.934 0.004 . . . 13 . . . 5 VAL HG . 53308 1 52 . 1 . 1 5 5 VAL HG22 H 1 0.934 0.004 . . . 13 . . . 5 VAL HG . 53308 1 53 . 1 . 1 5 5 VAL HG23 H 1 0.934 0.004 . . . 13 . . . 5 VAL HG . 53308 1 54 . 1 . 1 5 5 VAL CA C 13 62.603 0 . . . 1 . . . 5 VAL CA . 53308 1 55 . 1 . 1 5 5 VAL CB C 13 32.73 0 . . . 1 . . . 5 VAL CB . 53308 1 56 . 1 . 1 5 5 VAL CG1 C 13 21.064 0 . . . 1 . . . 5 VAL CG1 . 53308 1 57 . 1 . 1 5 5 VAL CG2 C 13 21.064 0 . . . 1 . . . 5 VAL CG2 . 53308 1 58 . 1 . 1 6 6 ASP H H 1 8.356 0.004 . . . 11 . . . 6 ASP H . 53308 1 59 . 1 . 1 6 6 ASP HA H 1 4.574 0.001 . . . 9 . . . 6 ASP HA . 53308 1 60 . 1 . 1 6 6 ASP HB2 H 1 2.721 0.004 . . . 8 . . . 6 ASP HB2 . 53308 1 61 . 1 . 1 6 6 ASP HB3 H 1 2.619 0.004 . . . 12 . . . 6 ASP HB3 . 53308 1 62 . 1 . 1 6 6 ASP CA C 13 54.49 0 . . . 1 . . . 6 ASP CA . 53308 1 63 . 1 . 1 6 6 ASP CB C 13 41.076 0.001 . . . 2 . . . 6 ASP CB . 53308 1 64 . 1 . 1 7 7 LYS H H 1 8.171 0.005 . . . 10 . . . 7 LYS H . 53308 1 65 . 1 . 1 7 7 LYS HA H 1 4.242 0.003 . . . 26 . . . 7 LYS HA . 53308 1 66 . 1 . 1 7 7 LYS HB2 H 1 1.865 0.004 . . . 16 . . . 7 LYS HB2 . 53308 1 67 . 1 . 1 7 7 LYS HB3 H 1 1.764 0.002 . . . 12 . . . 7 LYS HB3 . 53308 1 68 . 1 . 1 7 7 LYS HG2 H 1 1.471 0.004 . . . 14 . . . 7 LYS HG2 . 53308 1 69 . 1 . 1 7 7 LYS HG3 H 1 1.417 0.003 . . . 15 . . . 7 LYS HG3 . 53308 1 70 . 1 . 1 7 7 LYS HD2 H 1 1.672 0.003 . . . 14 . . . 7 LYS HD . 53308 1 71 . 1 . 1 7 7 LYS HD3 H 1 1.672 0.003 . . . 14 . . . 7 LYS HD . 53308 1 72 . 1 . 1 7 7 LYS HE2 H 1 2.993 0.002 . . . 28 . . . 7 LYS HE . 53308 1 73 . 1 . 1 7 7 LYS HE3 H 1 2.993 0.002 . . . 28 . . . 7 LYS HE . 53308 1 74 . 1 . 1 7 7 LYS CA C 13 56.613 0 . . . 1 . . . 7 LYS CA . 53308 1 75 . 1 . 1 7 7 LYS CB C 13 32.724 0.002 . . . 2 . . . 7 LYS CB . 53308 1 76 . 1 . 1 7 7 LYS CG C 13 24.71 0.018 . . . 2 . . . 7 LYS CG . 53308 1 77 . 1 . 1 7 7 LYS CD C 13 28.952 0 . . . 1 . . . 7 LYS CD . 53308 1 78 . 1 . 1 7 7 LYS CE C 13 42.034 0 . . . 1 . . . 7 LYS CE . 53308 1 79 . 1 . 1 8 8 ALA H H 1 8.283 0.007 . . . 6 . . . 8 ALA H . 53308 1 80 . 1 . 1 8 8 ALA HA H 1 4.303 0 . . . 5 . . . 8 ALA HA . 53308 1 81 . 1 . 1 8 8 ALA HB1 H 1 1.406 0.004 . . . 11 . . . 8 ALA HB . 53308 1 82 . 1 . 1 8 8 ALA HB2 H 1 1.406 0.004 . . . 11 . . . 8 ALA HB . 53308 1 83 . 1 . 1 8 8 ALA HB3 H 1 1.406 0.004 . . . 11 . . . 8 ALA HB . 53308 1 84 . 1 . 1 8 8 ALA CA C 13 52.748 0 . . . 1 . . . 8 ALA CA . 53308 1 85 . 1 . 1 8 8 ALA CB C 13 19.036 0 . . . 1 . . . 8 ALA CB . 53308 1 86 . 1 . 1 9 9 VAL H H 1 7.984 0.005 . . . 14 . . . 9 VAL H . 53308 1 87 . 1 . 1 9 9 VAL HA H 1 4.12 0.003 . . . 18 . . . 9 VAL HA . 53308 1 88 . 1 . 1 9 9 VAL HB H 1 2.142 0.002 . . . 18 . . . 9 VAL HB . 53308 1 89 . 1 . 1 9 9 VAL HG11 H 1 0.95 0.003 . . . 10 . . . 9 VAL HG . 53308 1 90 . 1 . 1 9 9 VAL HG12 H 1 0.95 0.003 . . . 10 . . . 9 VAL HG . 53308 1 91 . 1 . 1 9 9 VAL HG13 H 1 0.95 0.003 . . . 10 . . . 9 VAL HG . 53308 1 92 . 1 . 1 9 9 VAL HG21 H 1 0.95 0.003 . . . 10 . . . 9 VAL HG . 53308 1 93 . 1 . 1 9 9 VAL HG22 H 1 0.95 0.003 . . . 10 . . . 9 VAL HG . 53308 1 94 . 1 . 1 9 9 VAL HG23 H 1 0.95 0.003 . . . 10 . . . 9 VAL HG . 53308 1 95 . 1 . 1 9 9 VAL CA C 13 62.483 0 . . . 1 . . . 9 VAL CA . 53308 1 96 . 1 . 1 9 9 VAL CB C 13 32.558 0 . . . 1 . . . 9 VAL CB . 53308 1 97 . 1 . 1 9 9 VAL CG1 C 13 20.452 0 . . . 1 . . . 9 VAL CG1 . 53308 1 98 . 1 . 1 9 9 VAL CG2 C 13 20.452 0 . . . 1 . . . 9 VAL CG2 . 53308 1 99 . 1 . 1 10 10 SER HA H 1 4.439 0.002 . . . 5 . . . 10 SER HA . 53308 1 100 . 1 . 1 10 10 SER HB2 H 1 3.898 0 . . . 2 . . . 10 SER HB2 . 53308 1 101 . 1 . 1 10 10 SER HB3 H 1 3.867 0.001 . . . 2 . . . 10 SER HB3 . 53308 1 102 . 1 . 1 10 10 SER CA C 13 58.276 0 . . . 1 . . . 10 SER CA . 53308 1 103 . 1 . 1 10 10 SER CB C 13 63.623 0.01 . . . 2 . . . 10 SER CB . 53308 1 104 . 1 . 1 11 11 GLY H H 1 7.865 0.005 . . . 14 . . . 11 GLY H . 53308 1 105 . 1 . 1 11 11 GLY HA2 H 1 3.758 0.004 . . . 6 . . . 11 GLY HA2 . 53308 1 106 . 1 . 1 11 11 GLY HA3 H 1 3.738 0.003 . . . 6 . . . 11 GLY HA3 . 53308 1 107 . 1 . 1 11 11 GLY CA C 13 46.04 0.01 . . . 2 . . . 11 GLY CA . 53308 1 108 . 1 . 1 12 12 LEU H H 1 8.196 0.008 . . . 9 . . . 12 LEU H . 53308 1 109 . 1 . 1 12 12 LEU HA H 1 4.356 0.002 . . . 5 . . . 12 LEU HA . 53308 1 110 . 1 . 1 12 12 LEU HB2 H 1 1.633 0 . . . 1 . . . 12 LEU HB2 . 53308 1 111 . 1 . 1 12 12 LEU HB3 H 1 1.622 0.001 . . . 2 . . . 12 LEU HB3 . 53308 1 112 . 1 . 1 12 12 LEU HG H 1 1.677 0.005 . . . 4 . . . 12 LEU HG . 53308 1 113 . 1 . 1 12 12 LEU HD11 H 1 0.932 0 . . . 1 . . . 12 LEU HD1 . 53308 1 114 . 1 . 1 12 12 LEU HD12 H 1 0.932 0 . . . 1 . . . 12 LEU HD1 . 53308 1 115 . 1 . 1 12 12 LEU HD13 H 1 0.932 0 . . . 1 . . . 12 LEU HD1 . 53308 1 116 . 1 . 1 12 12 LEU HD21 H 1 0.871 0 . . . 1 . . . 12 LEU HD2 . 53308 1 117 . 1 . 1 12 12 LEU HD22 H 1 0.871 0 . . . 1 . . . 12 LEU HD2 . 53308 1 118 . 1 . 1 12 12 LEU HD23 H 1 0.871 0 . . . 1 . . . 12 LEU HD2 . 53308 1 119 . 1 . 1 12 12 LEU CA C 13 55.051 0 . . . 1 . . . 12 LEU CA . 53308 1 120 . 1 . 1 12 12 LEU CB C 13 42.301 0.001 . . . 2 . . . 12 LEU CB . 53308 1 121 . 1 . 1 12 12 LEU CG C 13 26.84 0 . . . 1 . . . 12 LEU CG . 53308 1 122 . 1 . 1 13 13 ARG H H 1 8.135 0.003 . . . 7 . . . 13 ARG H . 53308 1 123 . 1 . 1 13 13 ARG HA H 1 4.311 0.002 . . . 18 . . . 13 ARG HA . 53308 1 124 . 1 . 1 13 13 ARG HB2 H 1 1.849 0.002 . . . 8 . . . 13 ARG HB2 . 53308 1 125 . 1 . 1 13 13 ARG HB3 H 1 1.764 0.003 . . . 8 . . . 13 ARG HB3 . 53308 1 126 . 1 . 1 13 13 ARG HG2 H 1 1.635 0 . . . 2 . . . 13 ARG HG . 53308 1 127 . 1 . 1 13 13 ARG HG3 H 1 1.635 0 . . . 2 . . . 13 ARG HG . 53308 1 128 . 1 . 1 13 13 ARG HD2 H 1 3.2 0.003 . . . 10 . . . 13 ARG HD . 53308 1 129 . 1 . 1 13 13 ARG HD3 H 1 3.2 0.003 . . . 10 . . . 13 ARG HD . 53308 1 130 . 1 . 1 13 13 ARG CA C 13 55.874 0 . . . 1 . . . 13 ARG CA . 53308 1 131 . 1 . 1 13 13 ARG CB C 13 30.71 0.019 . . . 2 . . . 13 ARG CB . 53308 1 132 . 1 . 1 13 13 ARG CG C 13 27.149 0 . . . 1 . . . 13 ARG CG . 53308 1 133 . 1 . 1 13 13 ARG CD C 13 43.271 0 . . . 1 . . . 13 ARG CD . 53308 1 134 . 1 . 1 14 14 SER HA H 1 4.417 0.002 . . . 5 . . . 14 SER HA . 53308 1 135 . 1 . 1 14 14 SER HB2 H 1 3.898 0 . . . 2 . . . 14 SER HB2 . 53308 1 136 . 1 . 1 14 14 SER HB3 H 1 3.868 0 . . . 2 . . . 14 SER HB3 . 53308 1 137 . 1 . 1 14 14 SER CA C 13 58.685 0 . . . 1 . . . 14 SER CA . 53308 1 138 . 1 . 1 14 14 SER CB C 13 63.623 0.01 . . . 2 . . . 14 SER CB . 53308 1 139 . 1 . 1 15 15 LEU HA H 1 4.403 0.003 . . . 8 . . . 15 LEU HA . 53308 1 140 . 1 . 1 15 15 LEU HB2 H 1 1.71 0 . . . 1 . . . 15 LEU HB2 . 53308 1 141 . 1 . 1 15 15 LEU HB3 H 1 1.661 0 . . . 1 . . . 15 LEU HB3 . 53308 1 142 . 1 . 1 15 15 LEU HG H 1 1.677 0 . . . 1 . . . 15 LEU HG . 53308 1 143 . 1 . 1 15 15 LEU HD11 H 1 0.942 0 . . . 4 . . . 15 LEU HD1 . 53308 1 144 . 1 . 1 15 15 LEU HD12 H 1 0.942 0 . . . 4 . . . 15 LEU HD1 . 53308 1 145 . 1 . 1 15 15 LEU HD13 H 1 0.942 0 . . . 4 . . . 15 LEU HD1 . 53308 1 146 . 1 . 1 15 15 LEU HD21 H 1 0.883 0.001 . . . 5 . . . 15 LEU HD2 . 53308 1 147 . 1 . 1 15 15 LEU HD22 H 1 0.883 0.001 . . . 5 . . . 15 LEU HD2 . 53308 1 148 . 1 . 1 15 15 LEU HD23 H 1 0.883 0.001 . . . 5 . . . 15 LEU HD2 . 53308 1 149 . 1 . 1 15 15 LEU CA C 13 55.647 0 . . . 1 . . . 15 LEU CA . 53308 1 150 . 1 . 1 15 15 LEU CB C 13 42.222 0.001 . . . 2 . . . 15 LEU CB . 53308 1 151 . 1 . 1 15 15 LEU CG C 13 26.841 0 . . . 1 . . . 15 LEU CG . 53308 1 152 . 1 . 1 15 15 LEU CD1 C 13 24.848 0 . . . 1 . . . 15 LEU CD1 . 53308 1 153 . 1 . 1 15 15 LEU CD2 C 13 23.378 0 . . . 1 . . . 15 LEU CD2 . 53308 1 154 . 1 . 1 16 16 THR HA H 1 4.267 0.001 . . . 5 . . . 16 THR HA . 53308 1 155 . 1 . 1 16 16 THR HB H 1 4.215 0.003 . . . 7 . . . 16 THR HB . 53308 1 156 . 1 . 1 16 16 THR HG21 H 1 1.205 0 . . . 5 . . . 16 THR HG2 . 53308 1 157 . 1 . 1 16 16 THR HG22 H 1 1.205 0 . . . 5 . . . 16 THR HG2 . 53308 1 158 . 1 . 1 16 16 THR HG23 H 1 1.205 0 . . . 5 . . . 16 THR HG2 . 53308 1 159 . 1 . 1 16 16 THR CA C 13 62.441 0 . . . 1 . . . 16 THR CA . 53308 1 160 . 1 . 1 16 16 THR CB C 13 69.424 0 . . . 1 . . . 16 THR CB . 53308 1 161 . 1 . 1 16 16 THR CG2 C 13 21.537 0 . . . 1 . . . 16 THR CG2 . 53308 1 162 . 1 . 1 17 17 THR HA H 1 4.324 0.003 . . . 11 . . . 17 THR HA . 53308 1 163 . 1 . 1 17 17 THR HB H 1 4.254 0.002 . . . 9 . . . 17 THR HB . 53308 1 164 . 1 . 1 17 17 THR HG21 H 1 1.213 0.001 . . . 7 . . . 17 THR HG2 . 53308 1 165 . 1 . 1 17 17 THR HG22 H 1 1.213 0.001 . . . 7 . . . 17 THR HG2 . 53308 1 166 . 1 . 1 17 17 THR HG23 H 1 1.213 0.001 . . . 7 . . . 17 THR HG2 . 53308 1 167 . 1 . 1 17 17 THR CA C 13 62.385 0 . . . 1 . . . 17 THR CA . 53308 1 168 . 1 . 1 17 17 THR CB C 13 69.484 0 . . . 1 . . . 17 THR CB . 53308 1 169 . 1 . 1 17 17 THR CG2 C 13 21.536 0 . . . 1 . . . 17 THR CG2 . 53308 1 170 . 1 . 1 20 20 ARG HA H 1 4.34 0.002 . . . 11 . . . 20 ARG HA . 53308 1 171 . 1 . 1 20 20 ARG HB2 H 1 1.877 0.003 . . . 5 . . . 20 ARG HB2 . 53308 1 172 . 1 . 1 20 20 ARG HB3 H 1 1.795 0.005 . . . 5 . . . 20 ARG HB3 . 53308 1 173 . 1 . 1 20 20 ARG HG2 H 1 1.678 0 . . . 2 . . . 20 ARG HG . 53308 1 174 . 1 . 1 20 20 ARG HG3 H 1 1.678 0 . . . 2 . . . 20 ARG HG . 53308 1 175 . 1 . 1 20 20 ARG HD2 H 1 3.21 0 . . . 4 . . . 20 ARG HD . 53308 1 176 . 1 . 1 20 20 ARG HD3 H 1 3.21 0 . . . 4 . . . 20 ARG HD . 53308 1 177 . 1 . 1 20 20 ARG CA C 13 56.243 0 . . . 1 . . . 20 ARG CA . 53308 1 178 . 1 . 1 20 20 ARG CB C 13 30.587 0.036 . . . 2 . . . 20 ARG CB . 53308 1 179 . 1 . 1 20 20 ARG CG C 13 27.15 0 . . . 1 . . . 20 ARG CG . 53308 1 180 . 1 . 1 20 20 ARG CD C 13 43.27 0 . . . 1 . . . 20 ARG CD . 53308 1 181 . 1 . 1 21 21 ALA HA H 1 4.318 0.001 . . . 3 . . . 21 ALA HA . 53308 1 182 . 1 . 1 21 21 ALA HB1 H 1 1.41 0.001 . . . 3 . . . 21 ALA HB . 53308 1 183 . 1 . 1 21 21 ALA HB2 H 1 1.41 0.001 . . . 3 . . . 21 ALA HB . 53308 1 184 . 1 . 1 21 21 ALA HB3 H 1 1.41 0.001 . . . 3 . . . 21 ALA HB . 53308 1 185 . 1 . 1 21 21 ALA CA C 13 52.514 0 . . . 1 . . . 21 ALA CA . 53308 1 186 . 1 . 1 21 21 ALA CB C 13 18.96 0 . . . 1 . . . 21 ALA CB . 53308 1 187 . 1 . 1 22 22 LEU HA H 1 3.831 0.004 . . . 13 . . . 22 LEU HA . 53308 1 188 . 1 . 1 22 22 LEU HB2 H 1 1.652 0.005 . . . 5 . . . 22 LEU HB2 . 53308 1 189 . 1 . 1 22 22 LEU HB3 H 1 1.6 0.001 . . . 5 . . . 22 LEU HB3 . 53308 1 190 . 1 . 1 22 22 LEU HG H 1 1.623 0 . . . 1 . . . 22 LEU HG . 53308 1 191 . 1 . 1 22 22 LEU HD11 H 1 0.924 0.002 . . . 5 . . . 22 LEU HD . 53308 1 192 . 1 . 1 22 22 LEU HD12 H 1 0.924 0.002 . . . 5 . . . 22 LEU HD . 53308 1 193 . 1 . 1 22 22 LEU HD13 H 1 0.924 0.002 . . . 5 . . . 22 LEU HD . 53308 1 194 . 1 . 1 22 22 LEU HD21 H 1 0.924 0.002 . . . 5 . . . 22 LEU HD . 53308 1 195 . 1 . 1 22 22 LEU HD22 H 1 0.924 0.002 . . . 5 . . . 22 LEU HD . 53308 1 196 . 1 . 1 22 22 LEU HD23 H 1 0.924 0.002 . . . 5 . . . 22 LEU HD . 53308 1 197 . 1 . 1 22 22 LEU CA C 13 54.875 0 . . . 1 . . . 22 LEU CA . 53308 1 198 . 1 . 1 22 22 LEU CB C 13 43.569 0.036 . . . 2 . . . 22 LEU CB . 53308 1 199 . 1 . 1 22 22 LEU CG C 13 26.795 0 . . . 1 . . . 22 LEU CG . 53308 1 200 . 1 . 1 22 22 LEU CD1 C 13 24.052 0 . . . 1 . . . 22 LEU CD . 53308 1 201 . 1 . 1 22 22 LEU CD2 C 13 24.052 0 . . . 1 . . . 22 LEU CD . 53308 1 202 . 1 . 1 23 23 GLY HA2 H 1 3.976 0.001 . . . 5 . . . 23 GLY HA . 53308 1 203 . 1 . 1 23 23 GLY HA3 H 1 3.976 0.001 . . . 5 . . . 23 GLY HA . 53308 1 204 . 1 . 1 23 23 GLY CA C 13 45.368 0 . . . 1 . . . 23 GLY CA . 53308 1 stop_ save_