################################### # 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 50981 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name AMTC26-4 _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 2 '2D 1H-1H TOCSY' . . . 50981 1 3 '2D DQF-COSY' . . . 50981 1 4 '2D 1H-1H NOESY' . . . 50981 1 5 '2D 1H-13C HSQC' . . . 50981 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 . . 50981 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 ARG HA H 1 4.1931 0.0000 . 1 . . . . . 1 ARG HA . 50981 1 2 . 1 . 1 1 1 ARG HB2 H 1 1.8609 0.0000 . 2 . . . . . 1 ARG HB2 . 50981 1 3 . 1 . 1 1 1 ARG HG2 H 1 1.6237 0.0000 . 2 . . . . . 1 ARG HG2 . 50981 1 4 . 1 . 1 1 1 ARG HD2 H 1 2.9569 0.0000 . 2 . . . . . 1 ARG HD2 . 50981 1 5 . 1 . 1 1 1 ARG HE H 1 7.1581 0.0000 . 1 . . . . . 1 ARG HE . 50981 1 6 . 1 . 1 1 1 ARG CA C 13 54.8402 0.0000 . 1 . . . . . 1 ARG CA . 50981 1 7 . 1 . 1 1 1 ARG CB C 13 31.2467 0.0000 . 1 . . . . . 1 ARG CB . 50981 1 8 . 1 . 1 1 1 ARG CG C 13 26.3759 0.0000 . 1 . . . . . 1 ARG CG . 50981 1 9 . 1 . 1 1 1 ARG CD C 13 42.7810 0.0000 . 1 . . . . . 1 ARG CD . 50981 1 10 . 1 . 1 2 2 ILE HA H 1 4.2378 0.0000 . 1 . . . . . 2 ILE HA . 50981 1 11 . 1 . 1 2 2 ILE HB H 1 1.9985 0.0000 . 1 . . . . . 2 ILE HB . 50981 1 12 . 1 . 1 2 2 ILE HG12 H 1 1.5384 0.0000 . 2 . . . . . 2 ILE HG12 . 50981 1 13 . 1 . 1 2 2 ILE HG13 H 1 1.3695 0.0000 . 2 . . . . . 2 ILE HG13 . 50981 1 14 . 1 . 1 2 2 ILE HG21 H 1 1.0228 0.0000 . 1 . . . . . 2 ILE HG21 . 50981 1 15 . 1 . 1 2 2 ILE HG22 H 1 1.0228 0.0000 . 1 . . . . . 2 ILE HG21 . 50981 1 16 . 1 . 1 2 2 ILE HG23 H 1 1.0228 0.0000 . 1 . . . . . 2 ILE HG21 . 50981 1 17 . 1 . 1 2 2 ILE HD11 H 1 0.9277 0.0000 . 1 . . . . . 2 ILE HD11 . 50981 1 18 . 1 . 1 2 2 ILE HD12 H 1 0.9277 0.0000 . 1 . . . . . 2 ILE HD11 . 50981 1 19 . 1 . 1 2 2 ILE HD13 H 1 0.9277 0.0000 . 1 . . . . . 2 ILE HD11 . 50981 1 20 . 1 . 1 2 2 ILE CA C 13 62.1100 0.0000 . 1 . . . . . 2 ILE CA . 50981 1 21 . 1 . 1 2 2 ILE CB C 13 39.1017 0.0000 . 1 . . . . . 2 ILE CB . 50981 1 22 . 1 . 1 2 2 ILE CG1 C 13 27.3465 0.0000 . 1 . . . . . 2 ILE CG1 . 50981 1 23 . 1 . 1 2 2 ILE CG2 C 13 17.6661 0.0000 . 1 . . . . . 2 ILE CG2 . 50981 1 24 . 1 . 1 2 2 ILE CD1 C 13 13.6899 0.0000 . 1 . . . . . 2 ILE CD1 . 50981 1 25 . 1 . 1 3 3 LYS H H 1 8.5669 0.0000 . 1 . . . . . 3 LYS H . 50981 1 26 . 1 . 1 3 3 LYS HA H 1 4.1847 0.0000 . 1 . . . . . 3 LYS HA . 50981 1 27 . 1 . 1 3 3 LYS HB2 H 1 1.8235 0.0000 . 2 . . . . . 3 LYS HB2 . 50981 1 28 . 1 . 1 3 3 LYS HG2 H 1 1.5269 0.0000 . 2 . . . . . 3 LYS HG2 . 50981 1 29 . 1 . 1 3 3 LYS HG3 H 1 1.4512 0.0000 . 2 . . . . . 3 LYS HG3 . 50981 1 30 . 1 . 1 3 3 LYS HD2 H 1 1.7230 0.0000 . 2 . . . . . 3 LYS HD2 . 50981 1 31 . 1 . 1 3 3 LYS HE2 H 1 3.0177 0.0000 . 2 . . . . . 3 LYS HE2 . 50981 1 32 . 1 . 1 3 3 LYS CA C 13 58.1491 0.0000 . 1 . . . . . 3 LYS CA . 50981 1 33 . 1 . 1 3 3 LYS CB C 13 32.8451 0.0000 . 1 . . . . . 3 LYS CB . 50981 1 34 . 1 . 1 3 3 LYS CG C 13 25.1759 0.0000 . 1 . . . . . 3 LYS CG . 50981 1 35 . 1 . 1 3 3 LYS CD C 13 29.3952 0.0000 . 1 . . . . . 3 LYS CD . 50981 1 36 . 1 . 1 3 3 LYS CE C 13 42.2092 0.0000 . 1 . . . . . 3 LYS CE . 50981 1 37 . 1 . 1 4 4 ASP H H 1 8.5133 0.0000 . 1 . . . . . 4 ASP H . 50981 1 38 . 1 . 1 4 4 ASP HA H 1 4.5949 0.0000 . 1 . . . . . 4 ASP HA . 50981 1 39 . 1 . 1 4 4 ASP HB2 H 1 2.8026 0.0000 . 2 . . . . . 4 ASP HB2 . 50981 1 40 . 1 . 1 4 4 ASP HB3 H 1 2.7082 0.0000 . 2 . . . . . 4 ASP HB3 . 50981 1 41 . 1 . 1 4 4 ASP CB C 13 40.5647 0.0000 . 1 . . . . . 4 ASP CB . 50981 1 42 . 1 . 1 5 5 PHE H H 1 7.9395 0.0000 . 1 . . . . . 5 PHE H . 50981 1 43 . 1 . 1 5 5 PHE HA H 1 4.0427 0.0000 . 1 . . . . . 5 PHE HA . 50981 1 44 . 1 . 1 5 5 PHE HB2 H 1 3.3672 0.0000 . 2 . . . . . 5 PHE HB2 . 50981 1 45 . 1 . 1 5 5 PHE HB3 H 1 2.9623 0.0000 . 2 . . . . . 5 PHE HB3 . 50981 1 46 . 1 . 1 5 5 PHE HD1 H 1 7.0861 0.0000 . 3 . . . . . 5 PHE HD1 . 50981 1 47 . 1 . 1 5 5 PHE HE1 H 1 7.1610 0.0000 . 3 . . . . . 5 PHE HE1 . 50981 1 48 . 1 . 1 5 5 PHE HZ H 1 7.0048 0.0000 . 1 . . . . . 5 PHE HZ . 50981 1 49 . 1 . 1 5 5 PHE CA C 13 61.9173 0.0000 . 1 . . . . . 5 PHE CA . 50981 1 50 . 1 . 1 5 5 PHE CB C 13 39.6863 0.0000 . 1 . . . . . 5 PHE CB . 50981 1 51 . 1 . 1 5 5 PHE CD1 C 13 131.7114 0.0000 . 3 . . . . . 5 PHE CD1 . 50981 1 52 . 1 . 1 5 5 PHE CE1 C 13 131.3746 0.0000 . 3 . . . . . 5 PHE CE1 . 50981 1 53 . 1 . 1 5 5 PHE CZ C 13 130.0835 0.0000 . 1 . . . . . 5 PHE CZ . 50981 1 54 . 1 . 1 6 6 LEU H H 1 8.3374 0.0000 . 1 . . . . . 6 LEU H . 50981 1 55 . 1 . 1 6 6 LEU HA H 1 3.9409 0.0000 . 1 . . . . . 6 LEU HA . 50981 1 56 . 1 . 1 6 6 LEU HB2 H 1 1.8157 0.0000 . 2 . . . . . 6 LEU HB2 . 50981 1 57 . 1 . 1 6 6 LEU HB3 H 1 1.5771 0.0000 . 2 . . . . . 6 LEU HB3 . 50981 1 58 . 1 . 1 6 6 LEU HG H 1 1.7937 0.0000 . 1 . . . . . 6 LEU HG . 50981 1 59 . 1 . 1 6 6 LEU HD11 H 1 0.9973 0.0000 . 2 . . . . . 6 LEU HD11 . 50981 1 60 . 1 . 1 6 6 LEU HD12 H 1 0.9973 0.0000 . 2 . . . . . 6 LEU HD11 . 50981 1 61 . 1 . 1 6 6 LEU HD13 H 1 0.9973 0.0000 . 2 . . . . . 6 LEU HD11 . 50981 1 62 . 1 . 1 6 6 LEU HD21 H 1 0.9535 0.0000 . 2 . . . . . 6 LEU HD21 . 50981 1 63 . 1 . 1 6 6 LEU HD22 H 1 0.9535 0.0000 . 2 . . . . . 6 LEU HD21 . 50981 1 64 . 1 . 1 6 6 LEU HD23 H 1 0.9535 0.0000 . 2 . . . . . 6 LEU HD21 . 50981 1 65 . 1 . 1 6 6 LEU CA C 13 57.8352 0.0000 . 1 . . . . . 6 LEU CA . 50981 1 66 . 1 . 1 6 6 LEU CB C 13 41.5020 0.0000 . 1 . . . . . 6 LEU CB . 50981 1 67 . 1 . 1 6 6 LEU CG C 13 26.9936 0.0000 . 1 . . . . . 6 LEU CG . 50981 1 68 . 1 . 1 6 6 LEU CD1 C 13 25.3375 0.0000 . 2 . . . . . 6 LEU CD1 . 50981 1 69 . 1 . 1 6 6 LEU CD2 C 13 23.0728 0.0000 . 2 . . . . . 6 LEU CD2 . 50981 1 70 . 1 . 1 7 7 ARG H H 1 7.9534 0.0000 . 1 . . . . . 7 ARG H . 50981 1 71 . 1 . 1 7 7 ARG HA H 1 4.1609 0.0000 . 1 . . . . . 7 ARG HA . 50981 1 72 . 1 . 1 7 7 ARG HB2 H 1 1.9141 0.0000 . 2 . . . . . 7 ARG HB2 . 50981 1 73 . 1 . 1 7 7 ARG HG2 H 1 1.7467 0.0000 . 2 . . . . . 7 ARG HG2 . 50981 1 74 . 1 . 1 7 7 ARG HG3 H 1 1.6399 0.0000 . 2 . . . . . 7 ARG HG3 . 50981 1 75 . 1 . 1 7 7 ARG HD2 H 1 3.2448 0.0000 . 2 . . . . . 7 ARG HD2 . 50981 1 76 . 1 . 1 7 7 ARG HE H 1 7.4081 0.0000 . 1 . . . . . 7 ARG HE . 50981 1 77 . 1 . 1 7 7 ARG CA C 13 58.9383 0.0000 . 1 . . . . . 7 ARG CA . 50981 1 78 . 1 . 1 7 7 ARG CB C 13 30.2795 0.0000 . 1 . . . . . 7 ARG CB . 50981 1 79 . 1 . 1 7 7 ARG CG C 13 27.1165 0.0000 . 1 . . . . . 7 ARG CG . 50981 1 80 . 1 . 1 7 7 ARG CD C 13 43.3442 0.0000 . 1 . . . . . 7 ARG CD . 50981 1 81 . 1 . 1 8 8 LYS H H 1 8.1302 0.0000 . 1 . . . . . 8 LYS H . 50981 1 82 . 1 . 1 8 8 LYS HA H 1 4.1007 0.0000 . 1 . . . . . 8 LYS HA . 50981 1 83 . 1 . 1 8 8 LYS HB2 H 1 1.7934 0.0000 . 2 . . . . . 8 LYS HB2 . 50981 1 84 . 1 . 1 8 8 LYS HB3 H 1 1.6954 0.0000 . 2 . . . . . 8 LYS HB3 . 50981 1 85 . 1 . 1 8 8 LYS HG2 H 1 1.5714 0.0000 . 2 . . . . . 8 LYS HG2 . 50981 1 86 . 1 . 1 8 8 LYS HD2 H 1 1.6794 0.0000 . 2 . . . . . 8 LYS HD2 . 50981 1 87 . 1 . 1 8 8 LYS HE2 H 1 2.9906 0.0000 . 2 . . . . . 8 LYS HE2 . 50981 1 88 . 1 . 1 8 8 LYS CA C 13 59.0762 0.0000 . 1 . . . . . 8 LYS CA . 50981 1 89 . 1 . 1 8 8 LYS CB C 13 32.5381 0.0000 . 1 . . . . . 8 LYS CB . 50981 1 90 . 1 . 1 8 8 LYS CG C 13 25.9493 0.0000 . 1 . . . . . 8 LYS CG . 50981 1 91 . 1 . 1 8 8 LYS CD C 13 29.3372 0.0000 . 1 . . . . . 8 LYS CD . 50981 1 92 . 1 . 1 8 8 LYS CE C 13 42.5405 0.0000 . 1 . . . . . 8 LYS CE . 50981 1 93 . 1 . 1 9 9 TYR H H 1 9.0935 0.0000 . 1 . . . . . 9 TYR H . 50981 1 94 . 1 . 1 9 9 TYR HA H 1 3.8988 0.0000 . 1 . . . . . 9 TYR HA . 50981 1 95 . 1 . 1 9 9 TYR HB2 H 1 2.8012 0.0000 . 2 . . . . . 9 TYR HB2 . 50981 1 96 . 1 . 1 9 9 TYR HB3 H 1 2.3482 0.0000 . 2 . . . . . 9 TYR HB3 . 50981 1 97 . 1 . 1 9 9 TYR HD1 H 1 6.9497 0.0000 . 3 . . . . . 9 TYR HD1 . 50981 1 98 . 1 . 1 9 9 TYR HE1 H 1 6.8619 0.0000 . 3 . . . . . 9 TYR HE1 . 50981 1 99 . 1 . 1 9 9 TYR CA C 13 62.8697 0.0000 . 1 . . . . . 9 TYR CA . 50981 1 100 . 1 . 1 9 9 TYR CB C 13 38.1090 0.0000 . 1 . . . . . 9 TYR CB . 50981 1 101 . 1 . 1 9 9 TYR CD1 C 13 132.8723 0.0000 . 3 . . . . . 9 TYR CD1 . 50981 1 102 . 1 . 1 9 9 TYR CE1 C 13 118.4083 0.0000 . 3 . . . . . 9 TYR CE1 . 50981 1 103 . 1 . 1 10 10 ALA H H 1 8.1250 0.0000 . 1 . . . . . 10 ALA H . 50981 1 104 . 1 . 1 10 10 ALA HA H 1 4.1198 0.0000 . 1 . . . . . 10 ALA HA . 50981 1 105 . 1 . 1 10 10 ALA HB1 H 1 1.5587 0.0000 . 1 . . . . . 10 ALA HB1 . 50981 1 106 . 1 . 1 10 10 ALA HB2 H 1 1.5587 0.0000 . 1 . . . . . 10 ALA HB1 . 50981 1 107 . 1 . 1 10 10 ALA HB3 H 1 1.5587 0.0000 . 1 . . . . . 10 ALA HB1 . 50981 1 108 . 1 . 1 10 10 ALA CA C 13 55.1228 0.0000 . 1 . . . . . 10 ALA CA . 50981 1 109 . 1 . 1 10 10 ALA CB C 13 17.9281 0.0000 . 1 . . . . . 10 ALA CB . 50981 1 110 . 1 . 1 11 11 GLN H H 1 8.0175 0.0000 . 1 . . . . . 11 GLN H . 50981 1 111 . 1 . 1 11 11 GLN HA H 1 3.9976 0.0000 . 1 . . . . . 11 GLN HA . 50981 1 112 . 1 . 1 11 11 GLN HB2 H 1 2.1978 0.0000 . 2 . . . . . 11 GLN HB2 . 50981 1 113 . 1 . 1 11 11 GLN HB3 H 1 2.0960 0.0000 . 2 . . . . . 11 GLN HB3 . 50981 1 114 . 1 . 1 11 11 GLN HG2 H 1 2.3920 0.0000 . 2 . . . . . 11 GLN HG2 . 50981 1 115 . 1 . 1 11 11 GLN HE21 H 1 7.7472 0.0000 . 2 . . . . . 11 GLN HE21 . 50981 1 116 . 1 . 1 11 11 GLN HE22 H 1 6.9017 0.0000 . 2 . . . . . 11 GLN HE22 . 50981 1 117 . 1 . 1 11 11 GLN CA C 13 58.2046 0.0000 . 1 . . . . . 11 GLN CA . 50981 1 118 . 1 . 1 11 11 GLN CB C 13 28.2925 0.0000 . 1 . . . . . 11 GLN CB . 50981 1 119 . 1 . 1 11 11 GLN CG C 13 33.7703 0.0000 . 1 . . . . . 11 GLN CG . 50981 1 120 . 1 . 1 12 12 TRP H H 1 7.9394 0.0000 . 1 . . . . . 12 TRP H . 50981 1 121 . 1 . 1 12 12 TRP HA H 1 4.2387 0.0000 . 1 . . . . . 12 TRP HA . 50981 1 122 . 1 . 1 12 12 TRP HB2 H 1 3.1220 0.0000 . 1 . . . . . 12 TRP HB2 . 50981 1 123 . 1 . 1 12 12 TRP HB3 H 1 3.4514 0.0000 . 1 . . . . . 12 TRP HB3 . 50981 1 124 . 1 . 1 12 12 TRP HD1 H 1 6.9930 0.0000 . 1 . . . . . 12 TRP HD1 . 50981 1 125 . 1 . 1 12 12 TRP HE1 H 1 9.7251 0.0000 . 1 . . . . . 12 TRP HE1 . 50981 1 126 . 1 . 1 12 12 TRP HE3 H 1 6.9800 0.0000 . 1 . . . . . 12 TRP HE3 . 50981 1 127 . 1 . 1 12 12 TRP HZ2 H 1 7.2133 0.0000 . 1 . . . . . 12 TRP HZ2 . 50981 1 128 . 1 . 1 12 12 TRP HZ3 H 1 7.1079 0.0000 . 1 . . . . . 12 TRP HZ3 . 50981 1 129 . 1 . 1 12 12 TRP HH2 H 1 7.2136 0.0000 . 1 . . . . . 12 TRP HH2 . 50981 1 130 . 1 . 1 12 12 TRP CA C 13 61.9876 0.0000 . 1 . . . . . 12 TRP CA . 50981 1 131 . 1 . 1 12 12 TRP CB C 13 27.5837 0.0000 . 1 . . . . . 12 TRP CB . 50981 1 132 . 1 . 1 12 12 TRP CD1 C 13 127.3760 0.0000 . 1 . . . . . 12 TRP CD1 . 50981 1 133 . 1 . 1 12 12 TRP CE3 C 13 120.5723 0.0000 . 1 . . . . . 12 TRP CE3 . 50981 1 134 . 1 . 1 12 12 TRP CZ2 C 13 114.2148 0.0000 . 1 . . . . . 12 TRP CZ2 . 50981 1 135 . 1 . 1 12 12 TRP CZ3 C 13 122.8212 0.0000 . 1 . . . . . 12 TRP CZ3 . 50981 1 136 . 1 . 1 12 12 TRP CH2 C 13 123.7362 0.0000 . 1 . . . . . 12 TRP CH2 . 50981 1 137 . 1 . 1 13 13 LEU H H 1 8.3405 0.0000 . 1 . . . . . 13 LEU H . 50981 1 138 . 1 . 1 13 13 LEU HA H 1 3.3903 0.0000 . 1 . . . . . 13 LEU HA . 50981 1 139 . 1 . 1 13 13 LEU HB2 H 1 1.8267 0.0000 . 2 . . . . . 13 LEU HB2 . 50981 1 140 . 1 . 1 13 13 LEU HB3 H 1 1.3726 0.0000 . 2 . . . . . 13 LEU HB3 . 50981 1 141 . 1 . 1 13 13 LEU HG H 1 1.6122 0.0000 . 1 . . . . . 13 LEU HG . 50981 1 142 . 1 . 1 13 13 LEU HD11 H 1 0.9591 0.0000 . 1 . . . . . 13 LEU HD11 . 50981 1 143 . 1 . 1 13 13 LEU HD12 H 1 0.9591 0.0000 . 1 . . . . . 13 LEU HD11 . 50981 1 144 . 1 . 1 13 13 LEU HD13 H 1 0.9591 0.0000 . 1 . . . . . 13 LEU HD11 . 50981 1 145 . 1 . 1 13 13 LEU HD21 H 1 0.8450 0.0000 . 1 . . . . . 13 LEU HD21 . 50981 1 146 . 1 . 1 13 13 LEU HD22 H 1 0.8450 0.0000 . 1 . . . . . 13 LEU HD21 . 50981 1 147 . 1 . 1 13 13 LEU HD23 H 1 0.8450 0.0000 . 1 . . . . . 13 LEU HD21 . 50981 1 148 . 1 . 1 13 13 LEU CA C 13 57.8055 0.0000 . 1 . . . . . 13 LEU CA . 50981 1 149 . 1 . 1 13 13 LEU CB C 13 42.0405 0.0000 . 1 . . . . . 13 LEU CB . 50981 1 150 . 1 . 1 13 13 LEU CG C 13 26.2119 0.0000 . 1 . . . . . 13 LEU CG . 50981 1 151 . 1 . 1 13 13 LEU CD1 C 13 25.8656 0.0000 . 1 . . . . . 13 LEU CD1 . 50981 1 152 . 1 . 1 13 13 LEU CD2 C 13 23.1957 0.0000 . 1 . . . . . 13 LEU CD2 . 50981 1 153 . 1 . 1 14 14 ALA H H 1 8.1474 0.0000 . 1 . . . . . 14 ALA H . 50981 1 154 . 1 . 1 14 14 ALA HA H 1 4.0369 0.0000 . 1 . . . . . 14 ALA HA . 50981 1 155 . 1 . 1 14 14 ALA HB1 H 1 1.4645 0.0000 . 1 . . . . . 14 ALA HB1 . 50981 1 156 . 1 . 1 14 14 ALA HB2 H 1 1.4645 0.0000 . 1 . . . . . 14 ALA HB1 . 50981 1 157 . 1 . 1 14 14 ALA HB3 H 1 1.4645 0.0000 . 1 . . . . . 14 ALA HB1 . 50981 1 158 . 1 . 1 14 14 ALA CA C 13 54.6182 0.0000 . 1 . . . . . 14 ALA CA . 50981 1 159 . 1 . 1 14 14 ALA CB C 13 17.6893 0.0000 . 1 . . . . . 14 ALA CB . 50981 1 160 . 1 . 1 15 15 ASP H H 1 7.8407 0.0000 . 1 . . . . . 15 ASP H . 50981 1 161 . 1 . 1 15 15 ASP HA H 1 4.5580 0.0000 . 1 . . . . . 15 ASP HA . 50981 1 162 . 1 . 1 15 15 ASP HB2 H 1 2.8718 0.0000 . 2 . . . . . 15 ASP HB2 . 50981 1 163 . 1 . 1 15 15 ASP HB3 H 1 2.6947 0.0000 . 2 . . . . . 15 ASP HB3 . 50981 1 164 . 1 . 1 15 15 ASP CB C 13 40.6738 0.0000 . 1 . . . . . 15 ASP CB . 50981 1 165 . 1 . 1 16 16 GLY H H 1 7.5565 0.0000 . 1 . . . . . 16 GLY H . 50981 1 166 . 1 . 1 16 16 GLY HA2 H 1 3.4836 0.0000 . 1 . . . . . 16 GLY HA2 . 50981 1 167 . 1 . 1 16 16 GLY HA3 H 1 4.1569 0.0000 . 1 . . . . . 16 GLY HA3 . 50981 1 168 . 1 . 1 16 16 GLY CA C 13 43.9009 0.0000 . 1 . . . . . 16 GLY CA . 50981 1 169 . 1 . 1 17 17 GLY H H 1 8.3509 0.0000 . 1 . . . . . 17 GLY H . 50981 1 170 . 1 . 1 17 17 GLY HA2 H 1 0.9253 0.0000 . 1 . . . . . 17 GLY HA2 . 50981 1 171 . 1 . 1 17 17 GLY HA3 H 1 3.1335 0.0000 . 1 . . . . . 17 GLY HA3 . 50981 1 172 . 1 . 1 17 17 GLY CA C 13 43.3265 0.0000 . 1 . . . . . 17 GLY CA . 50981 1 173 . 1 . 1 18 18 PRO HA H 1 4.6052 0.0000 . 1 . . . . . 18 PRO HA . 50981 1 174 . 1 . 1 18 18 PRO HB2 H 1 2.0693 0.0000 . 1 . . . . . 18 PRO HB2 . 50981 1 175 . 1 . 1 18 18 PRO HB3 H 1 2.5184 0.0000 . 1 . . . . . 18 PRO HB3 . 50981 1 176 . 1 . 1 18 18 PRO HG2 H 1 2.1579 0.0000 . 2 . . . . . 18 PRO HG2 . 50981 1 177 . 1 . 1 18 18 PRO HD2 H 1 3.8106 0.0000 . 1 . . . . . 18 PRO HD2 . 50981 1 178 . 1 . 1 18 18 PRO HD3 H 1 3.4120 0.0000 . 1 . . . . . 18 PRO HD3 . 50981 1 179 . 1 . 1 18 18 PRO CB C 13 31.9649 0.0000 . 1 . . . . . 18 PRO CB . 50981 1 180 . 1 . 1 18 18 PRO CG C 13 27.3735 0.0000 . 1 . . . . . 18 PRO CG . 50981 1 181 . 1 . 1 18 18 PRO CD C 13 50.9066 0.0000 . 1 . . . . . 18 PRO CD . 50981 1 182 . 1 . 1 19 19 SER H H 1 7.7233 0.0000 . 1 . . . . . 19 SER H . 50981 1 183 . 1 . 1 19 19 SER HA H 1 4.4712 0.0000 . 1 . . . . . 19 SER HA . 50981 1 184 . 1 . 1 19 19 SER HB2 H 1 3.9232 0.0000 . 2 . . . . . 19 SER HB2 . 50981 1 185 . 1 . 1 19 19 SER CA C 13 59.2196 0.0000 . 1 . . . . . 19 SER CA . 50981 1 186 . 1 . 1 19 19 SER CB C 13 63.0683 0.0000 . 1 . . . . . 19 SER CB . 50981 1 187 . 1 . 1 20 20 SER H H 1 8.1518 0.0000 . 1 . . . . . 20 SER H . 50981 1 188 . 1 . 1 20 20 SER HA H 1 4.1743 0.0000 . 1 . . . . . 20 SER HA . 50981 1 189 . 1 . 1 20 20 SER HB2 H 1 3.8593 0.0000 . 2 . . . . . 20 SER HB2 . 50981 1 190 . 1 . 1 20 20 SER HB3 H 1 3.5129 0.0000 . 2 . . . . . 20 SER HB3 . 50981 1 191 . 1 . 1 20 20 SER CA C 13 60.0621 0.0000 . 1 . . . . . 20 SER CA . 50981 1 192 . 1 . 1 20 20 SER CB C 13 65.1388 0.0000 . 1 . . . . . 20 SER CB . 50981 1 193 . 1 . 1 21 21 GLY H H 1 7.9245 0.0000 . 1 . . . . . 21 GLY H . 50981 1 194 . 1 . 1 21 21 GLY HA2 H 1 3.8144 0.0000 . 1 . . . . . 21 GLY HA2 . 50981 1 195 . 1 . 1 21 21 GLY HA3 H 1 4.2595 0.0000 . 1 . . . . . 21 GLY HA3 . 50981 1 196 . 1 . 1 21 21 GLY CA C 13 45.3460 0.0000 . 1 . . . . . 21 GLY CA . 50981 1 197 . 1 . 1 22 22 ARG H H 1 8.1142 0.0000 . 1 . . . . . 22 ARG H . 50981 1 198 . 1 . 1 22 22 ARG HA H 1 5.0086 0.0000 . 1 . . . . . 22 ARG HA . 50981 1 199 . 1 . 1 22 22 ARG HB2 H 1 1.8556 0.0000 . 2 . . . . . 22 ARG HB2 . 50981 1 200 . 1 . 1 22 22 ARG HG2 H 1 1.8013 0.0000 . 2 . . . . . 22 ARG HG2 . 50981 1 201 . 1 . 1 22 22 ARG HG3 H 1 1.6599 0.0000 . 2 . . . . . 22 ARG HG3 . 50981 1 202 . 1 . 1 22 22 ARG HD2 H 1 3.3039 0.0000 . 2 . . . . . 22 ARG HD2 . 50981 1 203 . 1 . 1 22 22 ARG HD3 H 1 3.2197 0.0000 . 2 . . . . . 22 ARG HD3 . 50981 1 204 . 1 . 1 22 22 ARG HE H 1 7.4861 0.0000 . 1 . . . . . 22 ARG HE . 50981 1 205 . 1 . 1 22 22 ARG CB C 13 30.9770 0.0000 . 1 . . . . . 22 ARG CB . 50981 1 206 . 1 . 1 22 22 ARG CG C 13 26.9872 0.0000 . 1 . . . . . 22 ARG CG . 50981 1 207 . 1 . 1 22 22 ARG CD C 13 43.3779 0.0000 . 1 . . . . . 22 ARG CD . 50981 1 208 . 1 . 1 23 23 PRO HB2 H 1 1.8195 0.0000 . 2 . . . . . 23 PRO HB2 . 50981 1 209 . 1 . 1 23 23 PRO HB3 H 1 2.3463 0.0000 . 2 . . . . . 23 PRO HB3 . 50981 1 210 . 1 . 1 23 23 PRO HG2 H 1 2.0171 0.0000 . 2 . . . . . 23 PRO HG2 . 50981 1 211 . 1 . 1 23 23 PRO HD2 H 1 3.6756 0.0000 . 2 . . . . . 23 PRO HD2 . 50981 1 212 . 1 . 1 23 23 PRO HD3 H 1 3.8816 0.0000 . 2 . . . . . 23 PRO HD3 . 50981 1 213 . 1 . 1 23 23 PRO CB C 13 30.5817 0.0000 . 1 . . . . . 23 PRO CB . 50981 1 214 . 1 . 1 23 23 PRO CG C 13 27.1507 0.0000 . 1 . . . . . 23 PRO CG . 50981 1 215 . 1 . 1 23 23 PRO CD C 13 50.5674 0.0000 . 1 . . . . . 23 PRO CD . 50981 1 216 . 1 . 1 24 24 PRO HA H 1 2.6073 0.0000 . 1 . . . . . 24 PRO HA . 50981 1 217 . 1 . 1 24 24 PRO HB2 H 1 1.3294 0.0000 . 1 . . . . . 24 PRO HB2 . 50981 1 218 . 1 . 1 24 24 PRO HB3 H 1 0.2628 0.0000 . 1 . . . . . 24 PRO HB3 . 50981 1 219 . 1 . 1 24 24 PRO HG2 H 1 1.6788 0.0000 . 2 . . . . . 24 PRO HG2 . 50981 1 220 . 1 . 1 24 24 PRO HD2 H 1 3.5367 0.0000 . 2 . . . . . 24 PRO HD2 . 50981 1 221 . 1 . 1 24 24 PRO CA C 13 60.2528 0.0000 . 1 . . . . . 24 PRO CA . 50981 1 222 . 1 . 1 24 24 PRO CB C 13 28.9292 0.0000 . 1 . . . . . 24 PRO CB . 50981 1 223 . 1 . 1 24 24 PRO CG C 13 26.6754 0.0000 . 1 . . . . . 24 PRO CG . 50981 1 224 . 1 . 1 24 24 PRO CD C 13 49.7147 0.0000 . 1 . . . . . 24 PRO CD . 50981 1 225 . 1 . 1 25 25 PRO HA H 1 4.3238 0.0000 . 1 . . . . . 25 PRO HA . 50981 1 226 . 1 . 1 25 25 PRO HB2 H 1 1.8596 0.0000 . 1 . . . . . 25 PRO HB2 . 50981 1 227 . 1 . 1 25 25 PRO HB3 H 1 2.1973 0.0000 . 1 . . . . . 25 PRO HB3 . 50981 1 228 . 1 . 1 25 25 PRO HG2 H 1 1.7231 0.0000 . 1 . . . . . 25 PRO HG2 . 50981 1 229 . 1 . 1 25 25 PRO HG3 H 1 1.6527 0.0000 . 1 . . . . . 25 PRO HG3 . 50981 1 230 . 1 . 1 25 25 PRO HD2 H 1 2.9135 0.0000 . 1 . . . . . 25 PRO HD2 . 50981 1 231 . 1 . 1 25 25 PRO HD3 H 1 3.1191 0.0000 . 1 . . . . . 25 PRO HD3 . 50981 1 232 . 1 . 1 25 25 PRO CA C 13 62.6398 0.0000 . 1 . . . . . 25 PRO CA . 50981 1 233 . 1 . 1 25 25 PRO CB C 13 32.0655 0.0000 . 1 . . . . . 25 PRO CB . 50981 1 234 . 1 . 1 25 25 PRO CG C 13 26.7205 0.0000 . 1 . . . . . 25 PRO CG . 50981 1 235 . 1 . 1 25 25 PRO CD C 13 49.4554 0.0000 . 1 . . . . . 25 PRO CD . 50981 1 236 . 1 . 1 26 26 LYS H H 1 7.6971 0.0000 . 1 . . . . . 26 LYS H . 50981 1 237 . 1 . 1 26 26 LYS HA H 1 4.2154 0.0000 . 1 . . . . . 26 LYS HA . 50981 1 238 . 1 . 1 26 26 LYS HB2 H 1 1.7375 0.0000 . 2 . . . . . 26 LYS HB2 . 50981 1 239 . 1 . 1 26 26 LYS HB3 H 1 1.6320 0.0000 . 2 . . . . . 26 LYS HB3 . 50981 1 240 . 1 . 1 26 26 LYS HG2 H 1 1.3396 0.0000 . 2 . . . . . 26 LYS HG2 . 50981 1 241 . 1 . 1 26 26 LYS HD2 H 1 1.6207 0.0000 . 2 . . . . . 26 LYS HD2 . 50981 1 242 . 1 . 1 26 26 LYS HE2 H 1 2.9389 0.0000 . 2 . . . . . 26 LYS HE2 . 50981 1 243 . 1 . 1 26 26 LYS CA C 13 57.6167 0.0000 . 1 . . . . . 26 LYS CA . 50981 1 244 . 1 . 1 26 26 LYS CB C 13 34.8756 0.0000 . 1 . . . . . 26 LYS CB . 50981 1 245 . 1 . 1 26 26 LYS CG C 13 24.6544 0.0000 . 1 . . . . . 26 LYS CG . 50981 1 246 . 1 . 1 26 26 LYS CD C 13 29.2967 0.0000 . 1 . . . . . 26 LYS CD . 50981 1 247 . 1 . 1 26 26 LYS CE C 13 42.4602 0.0000 . 1 . . . . . 26 LYS CE . 50981 1 stop_ save_