################################### # 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 34264 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 COSY' . . . 34264 1 2 '2D 1H-1H TOCSY' . . . 34264 1 3 '2D 1H-1H NOESY' . . . 34264 1 4 '2D 1H-13C HSQC' . . . 34264 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 HIS HD2 H 1 7.302 0.020 . 1 . . . . A 1 HIS HD2 . 34264 1 2 . 1 1 1 1 HIS HE1 H 1 8.320 0.020 . 1 . . . . A 1 HIS HE1 . 34264 1 3 . 1 1 2 2 AIB HB11 H 1 1.480 0.020 . 1 . . . . A 2 AIB HB11 . 34264 1 4 . 1 1 2 2 AIB HB12 H 1 1.480 0.020 . 1 . . . . A 2 AIB HB12 . 34264 1 5 . 1 1 2 2 AIB HB13 H 1 1.480 0.020 . 1 . . . . A 2 AIB HB13 . 34264 1 6 . 1 1 2 2 AIB HB21 H 1 1.460 0.020 . 1 . . . . A 2 AIB HB21 . 34264 1 7 . 1 1 2 2 AIB HB22 H 1 1.460 0.020 . 1 . . . . A 2 AIB HB22 . 34264 1 8 . 1 1 2 2 AIB HB23 H 1 1.460 0.020 . 1 . . . . A 2 AIB HB23 . 34264 1 9 . 1 1 3 3 GLN H H 1 8.400 0.020 . 1 . . . . A 3 GLN H . 34264 1 10 . 1 1 3 3 GLN HA H 1 4.341 0.020 . 1 . . . . A 3 GLN HA . 34264 1 11 . 1 1 3 3 GLN HB2 H 1 2.206 0.020 . 2 . . . . A 3 GLN HB2 . 34264 1 12 . 1 1 3 3 GLN HB3 H 1 2.090 0.020 . 2 . . . . A 3 GLN HB3 . 34264 1 13 . 1 1 3 3 GLN HG2 H 1 2.444 0.020 . 1 . . . . A 3 GLN HG2 . 34264 1 14 . 1 1 3 3 GLN HG3 H 1 2.444 0.020 . 1 . . . . A 3 GLN HG3 . 34264 1 15 . 1 1 3 3 GLN HE21 H 1 7.410 0.020 . 1 . . . . A 3 GLN HE21 . 34264 1 16 . 1 1 3 3 GLN HE22 H 1 6.730 0.020 . 1 . . . . A 3 GLN HE22 . 34264 1 17 . 1 1 4 4 GLY H H 1 8.272 0.020 . 1 . . . . A 4 GLY H . 34264 1 18 . 1 1 4 4 GLY HA2 H 1 4.034 0.020 . 1 . . . . A 4 GLY HA2 . 34264 1 19 . 1 1 4 4 GLY HA3 H 1 4.034 0.020 . 1 . . . . A 4 GLY HA3 . 34264 1 20 . 1 1 5 5 THR H H 1 7.893 0.020 . 1 . . . . A 5 THR H . 34264 1 21 . 1 1 5 5 THR HA H 1 4.340 0.020 . 1 . . . . A 5 THR HA . 34264 1 22 . 1 1 5 5 THR HB H 1 4.209 0.020 . 1 . . . . A 5 THR HB . 34264 1 23 . 1 1 5 5 THR HG21 H 1 1.167 0.020 . 1 . . . . A 5 THR HG21 . 34264 1 24 . 1 1 5 5 THR HG22 H 1 1.167 0.020 . 1 . . . . A 5 THR HG22 . 34264 1 25 . 1 1 5 5 THR HG23 H 1 1.167 0.020 . 1 . . . . A 5 THR HG23 . 34264 1 26 . 1 1 6 6 PHE H H 1 8.148 0.020 . 1 . . . . A 6 PHE H . 34264 1 27 . 1 1 6 6 PHE HA H 1 4.703 0.020 . 1 . . . . A 6 PHE HA . 34264 1 28 . 1 1 6 6 PHE HB2 H 1 3.225 0.020 . 2 . . . . A 6 PHE HB2 . 34264 1 29 . 1 1 6 6 PHE HB3 H 1 3.153 0.020 . 2 . . . . A 6 PHE HB3 . 34264 1 30 . 1 1 6 6 PHE HD1 H 1 7.280 0.020 . 1 . . . . A 6 PHE HD1 . 34264 1 31 . 1 1 6 6 PHE HD2 H 1 7.280 0.020 . 1 . . . . A 6 PHE HD2 . 34264 1 32 . 1 1 6 6 PHE HE1 H 1 7.340 0.020 . 1 . . . . A 6 PHE HE1 . 34264 1 33 . 1 1 6 6 PHE HE2 H 1 7.340 0.020 . 1 . . . . A 6 PHE HE2 . 34264 1 34 . 1 1 6 6 PHE HZ H 1 7.290 0.020 . 1 . . . . A 6 PHE HZ . 34264 1 35 . 1 1 7 7 THR H H 1 7.878 0.020 . 1 . . . . A 7 THR H . 34264 1 36 . 1 1 7 7 THR HA H 1 4.283 0.020 . 1 . . . . A 7 THR HA . 34264 1 37 . 1 1 7 7 THR HB H 1 4.303 0.020 . 1 . . . . A 7 THR HB . 34264 1 38 . 1 1 7 7 THR HG21 H 1 1.241 0.020 . 1 . . . . A 7 THR HG21 . 34264 1 39 . 1 1 7 7 THR HG22 H 1 1.241 0.020 . 1 . . . . A 7 THR HG22 . 34264 1 40 . 1 1 7 7 THR HG23 H 1 1.241 0.020 . 1 . . . . A 7 THR HG23 . 34264 1 41 . 1 1 8 8 SER H H 1 8.109 0.020 . 1 . . . . A 8 SER H . 34264 1 42 . 1 1 8 8 SER HA H 1 4.439 0.020 . 1 . . . . A 8 SER HA . 34264 1 43 . 1 1 8 8 SER HB2 H 1 4.030 0.020 . 2 . . . . A 8 SER HB2 . 34264 1 44 . 1 1 8 8 SER HB3 H 1 3.956 0.020 . 2 . . . . A 8 SER HB3 . 34264 1 45 . 1 1 9 9 ASP H H 1 8.329 0.020 . 1 . . . . A 9 ASP H . 34264 1 46 . 1 1 9 9 ASP HA H 1 4.626 0.020 . 1 . . . . A 9 ASP HA . 34264 1 47 . 1 1 9 9 ASP HB2 H 1 2.780 0.020 . 1 . . . . A 9 ASP HB2 . 34264 1 48 . 1 1 9 9 ASP HB3 H 1 2.780 0.020 . 1 . . . . A 9 ASP HB3 . 34264 1 49 . 1 1 10 10 LEU H H 1 8.080 0.020 . 1 . . . . A 10 LEU H . 34264 1 50 . 1 1 10 10 LEU HA H 1 4.224 0.020 . 1 . . . . A 10 LEU HA . 34264 1 51 . 1 1 10 10 LEU HB2 H 1 1.680 0.020 . 1 . . . . A 10 LEU HB2 . 34264 1 52 . 1 1 10 10 LEU HB3 H 1 1.680 0.020 . 1 . . . . A 10 LEU HB3 . 34264 1 53 . 1 1 10 10 LEU HG H 1 1.675 0.020 . 1 . . . . A 10 LEU HG . 34264 1 54 . 1 1 10 10 LEU HD11 H 1 0.942 0.020 . 2 . . . . A 10 LEU HD11 . 34264 1 55 . 1 1 10 10 LEU HD12 H 1 0.942 0.020 . 2 . . . . A 10 LEU HD12 . 34264 1 56 . 1 1 10 10 LEU HD13 H 1 0.942 0.020 . 2 . . . . A 10 LEU HD13 . 34264 1 57 . 1 1 10 10 LEU HD21 H 1 0.891 0.020 . 2 . . . . A 10 LEU HD21 . 34264 1 58 . 1 1 10 10 LEU HD22 H 1 0.891 0.020 . 2 . . . . A 10 LEU HD22 . 34264 1 59 . 1 1 10 10 LEU HD23 H 1 0.891 0.020 . 2 . . . . A 10 LEU HD23 . 34264 1 60 . 1 1 11 11 SER H H 1 8.116 0.020 . 1 . . . . A 11 SER H . 34264 1 61 . 1 1 11 11 SER HA H 1 4.205 0.020 . 1 . . . . A 11 SER HA . 34264 1 62 . 1 1 11 11 SER HB2 H 1 4.039 0.020 . 2 . . . . A 11 SER HB2 . 34264 1 63 . 1 1 11 11 SER HB3 H 1 3.993 0.020 . 2 . . . . A 11 SER HB3 . 34264 1 64 . 1 1 12 12 LYS H H 1 7.801 0.020 . 1 . . . . A 12 LYS H . 34264 1 65 . 1 1 12 12 LYS HA H 1 4.261 0.020 . 1 . . . . A 12 LYS HA . 34264 1 66 . 1 1 12 12 LYS HB2 H 1 1.970 0.020 . 1 . . . . A 12 LYS HB2 . 34264 1 67 . 1 1 12 12 LYS HB3 H 1 1.970 0.020 . 1 . . . . A 12 LYS HB3 . 34264 1 68 . 1 1 12 12 LYS HG2 H 1 1.603 0.020 . 2 . . . . A 12 LYS HG2 . 34264 1 69 . 1 1 12 12 LYS HG3 H 1 1.494 0.020 . 2 . . . . A 12 LYS HG3 . 34264 1 70 . 1 1 12 12 LYS HD2 H 1 1.762 0.020 . 1 . . . . A 12 LYS HD2 . 34264 1 71 . 1 1 12 12 LYS HD3 H 1 1.762 0.020 . 1 . . . . A 12 LYS HD3 . 34264 1 72 . 1 1 12 12 LYS HE2 H 1 3.040 0.020 . 1 . . . . A 12 LYS HE2 . 34264 1 73 . 1 1 12 12 LYS HE3 H 1 3.040 0.020 . 1 . . . . A 12 LYS HE3 . 34264 1 74 . 1 1 13 13 GLN H H 1 7.977 0.020 . 1 . . . . A 13 GLN H . 34264 1 75 . 1 1 13 13 GLN HA H 1 4.214 0.020 . 1 . . . . A 13 GLN HA . 34264 1 76 . 1 1 13 13 GLN HB2 H 1 2.219 0.020 . 1 . . . . A 13 GLN HB2 . 34264 1 77 . 1 1 13 13 GLN HB3 H 1 2.219 0.020 . 1 . . . . A 13 GLN HB3 . 34264 1 78 . 1 1 13 13 GLN HG2 H 1 2.488 0.020 . 2 . . . . A 13 GLN HG2 . 34264 1 79 . 1 1 13 13 GLN HG3 H 1 2.446 0.020 . 2 . . . . A 13 GLN HG3 . 34264 1 80 . 1 1 13 13 GLN HE21 H 1 7.300 0.020 . 1 . . . . A 13 GLN HE21 . 34264 1 81 . 1 1 13 13 GLN HE22 H 1 6.620 0.020 . 1 . . . . A 13 GLN HE22 . 34264 1 82 . 1 1 14 14 LYS H H 1 8.244 0.020 . 1 . . . . A 14 LYS H . 34264 1 83 . 1 1 14 14 LYS HA H 1 4.105 0.020 . 1 . . . . A 14 LYS HA . 34264 1 84 . 1 1 14 14 LYS HB2 H 1 1.904 0.020 . 1 . . . . A 14 LYS HB2 . 34264 1 85 . 1 1 14 14 LYS HB3 H 1 1.904 0.020 . 1 . . . . A 14 LYS HB3 . 34264 1 86 . 1 1 14 14 LYS HG2 H 1 1.399 0.020 . 1 . . . . A 14 LYS HG2 . 34264 1 87 . 1 1 14 14 LYS HG3 H 1 1.399 0.020 . 1 . . . . A 14 LYS HG3 . 34264 1 88 . 1 1 14 14 LYS HD2 H 1 1.527 0.020 . 1 . . . . A 14 LYS HD2 . 34264 1 89 . 1 1 14 14 LYS HD3 H 1 1.527 0.020 . 1 . . . . A 14 LYS HD3 . 34264 1 90 . 1 1 14 14 LYS HE2 H 1 3.150 0.020 . 1 . . . . A 14 LYS HE2 . 34264 1 91 . 1 1 14 14 LYS HE3 H 1 3.150 0.020 . 1 . . . . A 14 LYS HE3 . 34264 1 92 . 1 1 14 14 LYS HZ1 H 1 7.720 0.020 . 1 . . . . A 14 LYS HZ1 . 34264 1 93 . 1 1 14 14 LYS HZ2 H 1 7.720 0.020 . 1 . . . . A 14 LYS HZ1 . 34264 1 94 . 1 1 14 14 LYS HZ3 H 1 7.720 0.020 . 1 . . . . A 14 LYS HZ1 . 34264 1 95 . 1 1 15 15 ASP H H 1 8.177 0.020 . 1 . . . . A 15 ASP H . 34264 1 96 . 1 1 15 15 ASP HA H 1 4.533 0.020 . 1 . . . . A 15 ASP HA . 34264 1 97 . 1 1 15 15 ASP HB2 H 1 2.944 0.020 . 2 . . . . A 15 ASP HB2 . 34264 1 98 . 1 1 15 15 ASP HB3 H 1 2.796 0.020 . 2 . . . . A 15 ASP HB3 . 34264 1 99 . 1 1 16 16 GLU H H 1 8.291 0.020 . 1 . . . . A 16 GLU H . 34264 1 100 . 1 1 16 16 GLU HA H 1 4.105 0.020 . 1 . . . . A 16 GLU HA . 34264 1 101 . 1 1 16 16 GLU HB2 H 1 2.261 0.020 . 2 . . . . A 16 GLU HB2 . 34264 1 102 . 1 1 16 16 GLU HB3 H 1 2.190 0.020 . 2 . . . . A 16 GLU HB3 . 34264 1 103 . 1 1 16 16 GLU HG2 H 1 2.586 0.020 . 2 . . . . A 16 GLU HG2 . 34264 1 104 . 1 1 16 16 GLU HG3 H 1 2.374 0.020 . 2 . . . . A 16 GLU HG3 . 34264 1 105 . 1 1 17 17 GLN H H 1 8.162 0.020 . 1 . . . . A 17 GLN H . 34264 1 106 . 1 1 17 17 GLN HB2 H 1 2.277 0.020 . 1 . . . . A 17 GLN HB2 . 34264 1 107 . 1 1 17 17 GLN HB3 H 1 2.277 0.020 . 1 . . . . A 17 GLN HB3 . 34264 1 108 . 1 1 17 17 GLN HG2 H 1 2.509 0.020 . 1 . . . . A 17 GLN HG2 . 34264 1 109 . 1 1 17 17 GLN HG3 H 1 2.509 0.020 . 1 . . . . A 17 GLN HG3 . 34264 1 110 . 1 1 17 17 GLN HE21 H 1 7.180 0.020 . 1 . . . . A 17 GLN HE21 . 34264 1 111 . 1 1 17 17 GLN HE22 H 1 6.730 0.020 . 1 . . . . A 17 GLN HE22 . 34264 1 112 . 1 1 18 18 ARG H H 1 8.249 0.020 . 1 . . . . A 18 ARG H . 34264 1 113 . 1 1 18 18 ARG HA H 1 4.032 0.020 . 1 . . . . A 18 ARG HA . 34264 1 114 . 1 1 18 18 ARG HB2 H 1 2.039 0.020 . 2 . . . . A 18 ARG HB2 . 34264 1 115 . 1 1 18 18 ARG HB3 H 1 1.966 0.020 . 2 . . . . A 18 ARG HB3 . 34264 1 116 . 1 1 18 18 ARG HG2 H 1 1.686 0.020 . 2 . . . . A 18 ARG HG2 . 34264 1 117 . 1 1 18 18 ARG HG3 H 1 1.900 0.020 . 2 . . . . A 18 ARG HG3 . 34264 1 118 . 1 1 18 18 ARG HD2 H 1 3.237 0.020 . 1 . . . . A 18 ARG HD2 . 34264 1 119 . 1 1 18 18 ARG HD3 H 1 3.237 0.020 . 1 . . . . A 18 ARG HD3 . 34264 1 120 . 1 1 18 18 ARG HE H 1 7.221 0.020 . 1 . . . . A 18 ARG HE . 34264 1 121 . 1 1 19 19 ALA H H 1 8.071 0.020 . 1 . . . . A 19 ALA H . 34264 1 122 . 1 1 19 19 ALA HA H 1 4.224 0.020 . 1 . . . . A 19 ALA HA . 34264 1 123 . 1 1 19 19 ALA HB1 H 1 1.585 0.020 . 1 . . . . A 19 ALA HB1 . 34264 1 124 . 1 1 19 19 ALA HB2 H 1 1.585 0.020 . 1 . . . . A 19 ALA HB2 . 34264 1 125 . 1 1 19 19 ALA HB3 H 1 1.585 0.020 . 1 . . . . A 19 ALA HB3 . 34264 1 126 . 1 1 20 20 LYS H H 1 7.981 0.020 . 1 . . . . A 20 LYS H . 34264 1 127 . 1 1 20 20 LYS HA H 1 4.034 0.020 . 1 . . . . A 20 LYS HA . 34264 1 128 . 1 1 20 20 LYS HB2 H 1 2.023 0.020 . 1 . . . . A 20 LYS HB2 . 34264 1 129 . 1 1 20 20 LYS HB3 H 1 2.023 0.020 . 1 . . . . A 20 LYS HB3 . 34264 1 130 . 1 1 20 20 LYS HG2 H 1 1.470 0.020 . 1 . . . . A 20 LYS HG2 . 34264 1 131 . 1 1 20 20 LYS HG3 H 1 1.470 0.020 . 1 . . . . A 20 LYS HG3 . 34264 1 132 . 1 1 20 20 LYS HD2 H 1 1.727 0.020 . 1 . . . . A 20 LYS HD2 . 34264 1 133 . 1 1 20 20 LYS HD3 H 1 1.727 0.020 . 1 . . . . A 20 LYS HD3 . 34264 1 134 . 1 1 20 20 LYS HE2 H 1 3.017 0.020 . 1 . . . . A 20 LYS HE2 . 34264 1 135 . 1 1 20 20 LYS HE3 H 1 3.017 0.020 . 1 . . . . A 20 LYS HE3 . 34264 1 136 . 1 1 21 21 LEU H H 1 7.952 0.020 . 1 . . . . A 21 LEU H . 34264 1 137 . 1 1 21 21 LEU HA H 1 4.211 0.020 . 1 . . . . A 21 LEU HA . 34264 1 138 . 1 1 21 21 LEU HB2 H 1 2.006 0.020 . 2 . . . . A 21 LEU HB2 . 34264 1 139 . 1 1 21 21 LEU HB3 H 1 1.573 0.020 . 2 . . . . A 21 LEU HB3 . 34264 1 140 . 1 1 21 21 LEU HG H 1 1.929 0.020 . 1 . . . . A 21 LEU HG . 34264 1 141 . 1 1 21 21 LEU HD11 H 1 0.974 0.020 . 2 . . . . A 21 LEU HD11 . 34264 1 142 . 1 1 21 21 LEU HD12 H 1 0.974 0.020 . 2 . . . . A 21 LEU HD12 . 34264 1 143 . 1 1 21 21 LEU HD13 H 1 0.974 0.020 . 2 . . . . A 21 LEU HD13 . 34264 1 144 . 1 1 21 21 LEU HD21 H 1 0.940 0.020 . 2 . . . . A 21 LEU HD21 . 34264 1 145 . 1 1 21 21 LEU HD22 H 1 0.940 0.020 . 2 . . . . A 21 LEU HD22 . 34264 1 146 . 1 1 21 21 LEU HD23 H 1 0.940 0.020 . 2 . . . . A 21 LEU HD23 . 34264 1 147 . 1 1 22 22 PHE H H 1 8.267 0.020 . 1 . . . . A 22 PHE H . 34264 1 148 . 1 1 22 22 PHE HA H 1 4.332 0.020 . 1 . . . . A 22 PHE HA . 34264 1 149 . 1 1 22 22 PHE HB2 H 1 3.399 0.020 . 2 . . . . A 22 PHE HB2 . 34264 1 150 . 1 1 22 22 PHE HB3 H 1 3.295 0.020 . 2 . . . . A 22 PHE HB3 . 34264 1 151 . 1 1 22 22 PHE HD1 H 1 7.230 0.020 . 1 . . . . A 22 PHE HD1 . 34264 1 152 . 1 1 22 22 PHE HD2 H 1 7.230 0.020 . 1 . . . . A 22 PHE HD2 . 34264 1 153 . 1 1 22 22 PHE HE1 H 1 7.310 0.020 . 1 . . . . A 22 PHE HE1 . 34264 1 154 . 1 1 22 22 PHE HE2 H 1 7.310 0.020 . 1 . . . . A 22 PHE HE2 . 34264 1 155 . 1 1 22 22 PHE HZ H 1 7.330 0.020 . 1 . . . . A 22 PHE HZ . 34264 1 156 . 1 1 23 23 ILE H H 1 8.567 0.020 . 1 . . . . A 23 ILE H . 34264 1 157 . 1 1 23 23 ILE HA H 1 3.767 0.020 . 1 . . . . A 23 ILE HA . 34264 1 158 . 1 1 23 23 ILE HB H 1 2.135 0.020 . 1 . . . . A 23 ILE HB . 34264 1 159 . 1 1 23 23 ILE HG12 H 1 1.958 0.020 . 2 . . . . A 23 ILE HG12 . 34264 1 160 . 1 1 23 23 ILE HG13 H 1 1.415 0.020 . 2 . . . . A 23 ILE HG13 . 34264 1 161 . 1 1 23 23 ILE HG21 H 1 1.030 0.020 . 1 . . . . A 23 ILE HG21 . 34264 1 162 . 1 1 23 23 ILE HG22 H 1 1.030 0.020 . 1 . . . . A 23 ILE HG22 . 34264 1 163 . 1 1 23 23 ILE HG23 H 1 1.030 0.020 . 1 . . . . A 23 ILE HG23 . 34264 1 164 . 1 1 23 23 ILE HD11 H 1 0.963 0.020 . 1 . . . . A 23 ILE HD11 . 34264 1 165 . 1 1 23 23 ILE HD12 H 1 0.963 0.020 . 1 . . . . A 23 ILE HD12 . 34264 1 166 . 1 1 23 23 ILE HD13 H 1 0.963 0.020 . 1 . . . . A 23 ILE HD13 . 34264 1 167 . 1 1 24 24 GLU HA H 1 4.008 0.020 . 1 . . . . A 24 GLU HA . 34264 1 168 . 1 1 24 24 GLU HB2 H 1 2.365 0.020 . 2 . . . . A 24 GLU HB2 . 34264 1 169 . 1 1 24 24 GLU HB3 H 1 2.192 0.020 . 2 . . . . A 24 GLU HB3 . 34264 1 170 . 1 1 24 24 GLU HG2 H 1 2.744 0.020 . 2 . . . . A 24 GLU HG2 . 34264 1 171 . 1 1 24 24 GLU HG3 H 1 2.443 0.020 . 2 . . . . A 24 GLU HG3 . 34264 1 172 . 1 1 25 25 TRP H H 1 8.266 0.020 . 1 . . . . A 25 TRP H . 34264 1 173 . 1 1 25 25 TRP HA H 1 4.253 0.020 . 1 . . . . A 25 TRP HA . 34264 1 174 . 1 1 25 25 TRP HB2 H 1 3.731 0.020 . 2 . . . . A 25 TRP HB2 . 34264 1 175 . 1 1 25 25 TRP HB3 H 1 3.246 0.020 . 2 . . . . A 25 TRP HB3 . 34264 1 176 . 1 1 25 25 TRP HD1 H 1 7.110 0.020 . 1 . . . . A 25 TRP HD1 . 34264 1 177 . 1 1 25 25 TRP HE1 H 1 9.760 0.020 . 1 . . . . A 25 TRP HE1 . 34264 1 178 . 1 1 25 25 TRP HE3 H 1 7.340 0.020 . 1 . . . . A 25 TRP HE3 . 34264 1 179 . 1 1 25 25 TRP HZ2 H 1 7.250 0.020 . 1 . . . . A 25 TRP HZ2 . 34264 1 180 . 1 1 25 25 TRP HZ3 H 1 7.050 0.020 . 1 . . . . A 25 TRP HZ3 . 34264 1 181 . 1 1 25 25 TRP HH2 H 1 7.120 0.020 . 1 . . . . A 25 TRP HH2 . 34264 1 182 . 1 1 26 26 LEU H H 1 8.582 0.020 . 1 . . . . A 26 LEU H . 34264 1 183 . 1 1 26 26 LEU HA H 1 3.325 0.020 . 1 . . . . A 26 LEU HA . 34264 1 184 . 1 1 26 26 LEU HB2 H 1 1.876 0.020 . 2 . . . . A 26 LEU HB2 . 34264 1 185 . 1 1 26 26 LEU HB3 H 1 1.420 0.020 . 2 . . . . A 26 LEU HB3 . 34264 1 186 . 1 1 26 26 LEU HG H 1 1.640 0.020 . 1 . . . . A 26 LEU HG . 34264 1 187 . 1 1 26 26 LEU HD11 H 1 0.844 0.020 . 2 . . . . A 26 LEU HD11 . 34264 1 188 . 1 1 26 26 LEU HD12 H 1 0.844 0.020 . 2 . . . . A 26 LEU HD12 . 34264 1 189 . 1 1 26 26 LEU HD13 H 1 0.844 0.020 . 2 . . . . A 26 LEU HD13 . 34264 1 190 . 1 1 26 26 LEU HD21 H 1 0.820 0.020 . 2 . . . . A 26 LEU HD21 . 34264 1 191 . 1 1 26 26 LEU HD22 H 1 0.820 0.020 . 2 . . . . A 26 LEU HD22 . 34264 1 192 . 1 1 26 26 LEU HD23 H 1 0.820 0.020 . 2 . . . . A 26 LEU HD23 . 34264 1 193 . 1 1 27 27 AIB H H 1 8.978 0.020 . 1 . . . . A 27 AIB H . 34264 1 194 . 1 1 27 27 AIB HB11 H 1 1.554 0.020 . 1 . . . . A 27 AIB HB11 . 34264 1 195 . 1 1 27 27 AIB HB12 H 1 1.554 0.020 . 1 . . . . A 27 AIB HB12 . 34264 1 196 . 1 1 27 27 AIB HB13 H 1 1.554 0.020 . 1 . . . . A 27 AIB HB13 . 34264 1 197 . 1 1 27 27 AIB HB21 H 1 1.433 0.020 . 1 . . . . A 27 AIB HB21 . 34264 1 198 . 1 1 27 27 AIB HB22 H 1 1.433 0.020 . 1 . . . . A 27 AIB HB22 . 34264 1 199 . 1 1 27 27 AIB HB23 H 1 1.433 0.020 . 1 . . . . A 27 AIB HB23 . 34264 1 200 . 1 1 28 28 ALA H H 1 7.494 0.020 . 1 . . . . A 28 ALA H . 34264 1 201 . 1 1 28 28 ALA HA H 1 4.251 0.020 . 1 . . . . A 28 ALA HA . 34264 1 202 . 1 1 28 28 ALA HB1 H 1 1.534 0.020 . 1 . . . . A 28 ALA HB1 . 34264 1 203 . 1 1 28 28 ALA HB2 H 1 1.534 0.020 . 1 . . . . A 28 ALA HB2 . 34264 1 204 . 1 1 28 28 ALA HB3 H 1 1.534 0.020 . 1 . . . . A 28 ALA HB3 . 34264 1 205 . 1 1 29 29 GLY H H 1 8.031 0.020 . 1 . . . . A 29 GLY H . 34264 1 206 . 1 1 29 29 GLY HA2 H 1 4.226 0.020 . 2 . . . . A 29 GLY HA2 . 34264 1 207 . 1 1 29 29 GLY HA3 H 1 3.537 0.020 . 2 . . . . A 29 GLY HA3 . 34264 1 208 . 1 1 30 30 GLY H H 1 8.382 0.020 . 1 . . . . A 30 GLY H . 34264 1 209 . 1 1 30 30 GLY HA2 H 1 2.735 0.020 . 2 . . . . A 30 GLY HA2 . 34264 1 210 . 1 1 30 30 GLY HA3 H 1 1.495 0.020 . 2 . . . . A 30 GLY HA3 . 34264 1 211 . 1 1 31 31 PRO HA H 1 4.521 0.020 . 1 . . . . A 31 PRO HA . 34264 1 212 . 1 1 31 31 PRO HB2 H 1 2.454 0.020 . 2 . . . . A 31 PRO HB2 . 34264 1 213 . 1 1 31 31 PRO HB3 H 1 2.030 0.020 . 2 . . . . A 31 PRO HB3 . 34264 1 214 . 1 1 31 31 PRO HG2 H 1 2.074 0.020 . 2 . . . . A 31 PRO HG2 . 34264 1 215 . 1 1 31 31 PRO HG3 H 1 2.001 0.020 . 2 . . . . A 31 PRO HG3 . 34264 1 216 . 1 1 31 31 PRO HD2 H 1 3.652 0.020 . 2 . . . . A 31 PRO HD2 . 34264 1 217 . 1 1 31 31 PRO HD3 H 1 3.015 0.020 . 2 . . . . A 31 PRO HD3 . 34264 1 218 . 1 1 32 32 SER H H 1 7.675 0.020 . 1 . . . . A 32 SER H . 34264 1 219 . 1 1 32 32 SER HA H 1 4.444 0.020 . 1 . . . . A 32 SER HA . 34264 1 220 . 1 1 32 32 SER HB2 H 1 3.978 0.020 . 2 . . . . A 32 SER HB2 . 34264 1 221 . 1 1 32 32 SER HB3 H 1 3.928 0.020 . 2 . . . . A 32 SER HB3 . 34264 1 222 . 1 1 33 33 SER H H 1 8.048 0.020 . 1 . . . . A 33 SER H . 34264 1 223 . 1 1 33 33 SER HA H 1 4.295 0.020 . 1 . . . . A 33 SER HA . 34264 1 224 . 1 1 33 33 SER HB2 H 1 3.972 0.020 . 2 . . . . A 33 SER HB2 . 34264 1 225 . 1 1 33 33 SER HB3 H 1 3.721 0.020 . 2 . . . . A 33 SER HB3 . 34264 1 226 . 1 1 34 34 GLY H H 1 7.845 0.020 . 1 . . . . A 34 GLY H . 34264 1 227 . 1 1 34 34 GLY HA2 H 1 4.286 0.020 . 2 . . . . A 34 GLY HA2 . 34264 1 228 . 1 1 34 34 GLY HA3 H 1 3.803 0.020 . 2 . . . . A 34 GLY HA3 . 34264 1 229 . 1 1 35 35 ALA H H 1 8.100 0.020 . 1 . . . . A 35 ALA H . 34264 1 230 . 1 1 35 35 ALA HA H 1 4.899 0.020 . 1 . . . . A 35 ALA HA . 34264 1 231 . 1 1 35 35 ALA HB1 H 1 1.482 0.020 . 1 . . . . A 35 ALA HB1 . 34264 1 232 . 1 1 35 35 ALA HB2 H 1 1.482 0.020 . 1 . . . . A 35 ALA HB2 . 34264 1 233 . 1 1 35 35 ALA HB3 H 1 1.482 0.020 . 1 . . . . A 35 ALA HB3 . 34264 1 234 . 1 1 36 36 PRO HA H 1 4.679 0.020 . 1 . . . . A 36 PRO HA . 34264 1 235 . 1 1 36 36 PRO HB2 H 1 2.233 0.020 . 2 . . . . A 36 PRO HB2 . 34264 1 236 . 1 1 36 36 PRO HB3 H 1 1.892 0.020 . 2 . . . . A 36 PRO HB3 . 34264 1 237 . 1 1 36 36 PRO HG2 H 1 2.024 0.020 . 1 . . . . A 36 PRO HG2 . 34264 1 238 . 1 1 36 36 PRO HG3 H 1 2.024 0.020 . 1 . . . . A 36 PRO HG3 . 34264 1 239 . 1 1 36 36 PRO HD2 H 1 3.848 0.020 . 2 . . . . A 36 PRO HD2 . 34264 1 240 . 1 1 36 36 PRO HD3 H 1 3.678 0.020 . 2 . . . . A 36 PRO HD3 . 34264 1 241 . 1 1 37 37 PRO HA H 1 3.201 0.020 . 1 . . . . A 37 PRO HA . 34264 1 242 . 1 1 37 37 PRO HB2 H 1 1.443 0.020 . 2 . . . . A 37 PRO HB2 . 34264 1 243 . 1 1 37 37 PRO HB3 H 1 1.048 0.020 . 2 . . . . A 37 PRO HB3 . 34264 1 244 . 1 1 37 37 PRO HG2 H 1 1.802 0.020 . 2 . . . . A 37 PRO HG2 . 34264 1 245 . 1 1 37 37 PRO HG3 H 1 1.594 0.020 . 2 . . . . A 37 PRO HG3 . 34264 1 246 . 1 1 37 37 PRO HD2 H 1 3.464 0.020 . 1 . . . . A 37 PRO HD2 . 34264 1 247 . 1 1 37 37 PRO HD3 H 1 3.464 0.020 . 1 . . . . A 37 PRO HD3 . 34264 1 248 . 1 1 38 38 PRO HA H 1 4.353 0.020 . 1 . . . . A 38 PRO HA . 34264 1 249 . 1 1 38 38 PRO HB2 H 1 2.163 0.020 . 2 . . . . A 38 PRO HB2 . 34264 1 250 . 1 1 38 38 PRO HB3 H 1 1.920 0.020 . 2 . . . . A 38 PRO HB3 . 34264 1 251 . 1 1 38 38 PRO HG2 H 1 1.870 0.020 . 1 . . . . A 38 PRO HG2 . 34264 1 252 . 1 1 38 38 PRO HG3 H 1 1.870 0.020 . 1 . . . . A 38 PRO HG3 . 34264 1 253 . 1 1 38 38 PRO HD2 H 1 3.147 0.020 . 2 . . . . A 38 PRO HD2 . 34264 1 254 . 1 1 38 38 PRO HD3 H 1 2.982 0.020 . 2 . . . . A 38 PRO HD3 . 34264 1 255 . 1 1 39 39 SER H H 1 7.778 0.020 . 1 . . . . A 39 SER H . 34264 1 256 . 1 1 39 39 SER HA H 1 4.333 0.020 . 1 . . . . A 39 SER HA . 34264 1 257 . 1 1 39 39 SER HB2 H 1 3.873 0.020 . 2 . . . . A 39 SER HB2 . 34264 1 258 . 1 1 39 39 SER HB3 H 1 3.767 0.020 . 2 . . . . A 39 SER HB3 . 34264 1 stop_ save_