################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25352 _Assigned_chem_shift_list.ID 1 _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 $chemical_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' . . . 25352 1 2 '2D 1H-1H NOESY' . . . 25352 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.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 ILE HA H 1 3.8045 0.0000 . 1 . . . A 1 ILE HA . 25352 1 2 . 1 1 1 1 ILE HB H 1 1.9509 0.0000 . 1 . . . A 1 ILE HB . 25352 1 3 . 1 1 1 1 ILE HG12 H 1 1.2478 0.0000 . 2 . . . A 1 ILE HG12 . 25352 1 4 . 1 1 1 1 ILE HG13 H 1 1.5401 0.0000 . 2 . . . A 1 ILE HG13 . 25352 1 5 . 1 1 1 1 ILE HG21 H 1 0.8127 0.0000 . 1 . . . A 1 ILE HG21 . 25352 1 6 . 1 1 1 1 ILE HG22 H 1 0.8127 0.0000 . 1 . . . A 1 ILE HG22 . 25352 1 7 . 1 1 1 1 ILE HG23 H 1 0.8127 0.0000 . 1 . . . A 1 ILE HG23 . 25352 1 8 . 1 1 1 1 ILE HD11 H 1 0.8285 0.0000 . 1 . . . A 1 ILE HD11 . 25352 1 9 . 1 1 1 1 ILE HD12 H 1 0.8285 0.0000 . 1 . . . A 1 ILE HD12 . 25352 1 10 . 1 1 1 1 ILE HD13 H 1 0.8285 0.0000 . 1 . . . A 1 ILE HD13 . 25352 1 11 . 1 1 1 1 ILE H H 1 7.9460 0.0000 . 1 . . . A 1 ILE H1 . 25352 1 12 . 1 1 2 2 TYR H H 1 7.7486 0.0000 . 1 . . . A 2 TYR H . 25352 1 13 . 1 1 2 2 TYR HA H 1 4.2736 0.0000 . 1 . . . A 2 TYR HA . 25352 1 14 . 1 1 2 2 TYR HB2 H 1 3.2611 0.0000 . 2 . . . A 2 TYR HB2 . 25352 1 15 . 1 1 2 2 TYR HB3 H 1 3.0922 0.0000 . 2 . . . A 2 TYR HB3 . 25352 1 16 . 1 1 2 2 TYR HD1 H 1 7.2028 0.0000 . 3 . . . A 2 TYR HD1 . 25352 1 17 . 1 1 2 2 TYR HD2 H 1 7.2042 0.0000 . 3 . . . A 2 TYR HD2 . 25352 1 18 . 1 1 2 2 TYR HE1 H 1 6.8253 0.0000 . 3 . . . A 2 TYR HE1 . 25352 1 19 . 1 1 2 2 TYR HE2 H 1 6.8256 0.0000 . 3 . . . A 2 TYR HE2 . 25352 1 20 . 1 1 3 3 TRP H H 1 8.2351 0.0000 . 1 . . . A 3 TRP H . 25352 1 21 . 1 1 3 3 TRP HA H 1 4.3084 0.0000 . 1 . . . A 3 TRP HA . 25352 1 22 . 1 1 3 3 TRP HB2 H 1 3.6323 0.0000 . 2 . . . A 3 TRP HB2 . 25352 1 23 . 1 1 3 3 TRP HB3 H 1 3.4405 0.0000 . 2 . . . A 3 TRP HB3 . 25352 1 24 . 1 1 3 3 TRP HD1 H 1 7.3635 0.0000 . 1 . . . A 3 TRP HD1 . 25352 1 25 . 1 1 3 3 TRP HE1 H 1 10.0399 0.0000 . 1 . . . A 3 TRP HE1 . 25352 1 26 . 1 1 3 3 TRP HE3 H 1 7.5016 0.0000 . 1 . . . A 3 TRP HE3 . 25352 1 27 . 1 1 3 3 TRP HZ2 H 1 7.4319 0.0000 . 1 . . . A 3 TRP HZ2 . 25352 1 28 . 1 1 3 3 TRP HZ3 H 1 6.9412 0.0000 . 1 . . . A 3 TRP HZ3 . 25352 1 29 . 1 1 3 3 TRP HH2 H 1 7.1024 0.0000 . 1 . . . A 3 TRP HH2 . 25352 1 30 . 1 1 4 4 ILE H H 1 8.5045 0.0000 . 1 . . . A 4 ILE H . 25352 1 31 . 1 1 4 4 ILE HA H 1 3.5610 0.0000 . 1 . . . A 4 ILE HA . 25352 1 32 . 1 1 4 4 ILE HB H 1 2.1146 0.0000 . 1 . . . A 4 ILE HB . 25352 1 33 . 1 1 4 4 ILE HG12 H 1 1.3275 0.0000 . 2 . . . A 4 ILE HG12 . 25352 1 34 . 1 1 4 4 ILE HG13 H 1 2.2141 0.0000 . 2 . . . A 4 ILE HG13 . 25352 1 35 . 1 1 4 4 ILE HG21 H 1 1.0108 0.0000 . 1 . . . A 4 ILE HG21 . 25352 1 36 . 1 1 4 4 ILE HG22 H 1 1.0108 0.0000 . 1 . . . A 4 ILE HG22 . 25352 1 37 . 1 1 4 4 ILE HG23 H 1 1.0108 0.0000 . 1 . . . A 4 ILE HG23 . 25352 1 38 . 1 1 4 4 ILE HD11 H 1 0.9806 0.0000 . 1 . . . A 4 ILE HD11 . 25352 1 39 . 1 1 4 4 ILE HD12 H 1 0.9806 0.0000 . 1 . . . A 4 ILE HD12 . 25352 1 40 . 1 1 4 4 ILE HD13 H 1 0.9806 0.0000 . 1 . . . A 4 ILE HD13 . 25352 1 41 . 1 1 5 5 ALA H H 1 8.0592 0.0000 . 1 . . . A 5 ALA H . 25352 1 42 . 1 1 5 5 ALA HA H 1 4.2118 0.0000 . 1 . . . A 5 ALA HA . 25352 1 43 . 1 1 5 5 ALA HB1 H 1 1.5272 0.0000 . 1 . . . A 5 ALA HB1 . 25352 1 44 . 1 1 5 5 ALA HB2 H 1 1.5272 0.0000 . 1 . . . A 5 ALA HB2 . 25352 1 45 . 1 1 5 5 ALA HB3 H 1 1.5272 0.0000 . 1 . . . A 5 ALA HB3 . 25352 1 46 . 1 1 6 6 ASP H H 1 8.0757 0.0000 . 1 . . . A 6 ASP H . 25352 1 47 . 1 1 6 6 ASP HA H 1 4.3707 0.0000 . 1 . . . A 6 ASP HA . 25352 1 48 . 1 1 6 6 ASP HB2 H 1 2.7520 0.0000 . 2 . . . A 6 ASP HB2 . 25352 1 49 . 1 1 6 6 ASP HB3 H 1 2.6294 0.0000 . 2 . . . A 6 ASP HB3 . 25352 1 50 . 1 1 7 7 GLN H H 1 8.0549 0.0000 . 1 . . . A 7 GLN H . 25352 1 51 . 1 1 7 7 GLN HA H 1 3.7243 0.0000 . 1 . . . A 7 GLN HA . 25352 1 52 . 1 1 7 7 GLN HB2 H 1 1.3567 0.0000 . 2 . . . A 7 GLN HB2 . 25352 1 53 . 1 1 7 7 GLN HB3 H 1 1.3575 0.0000 . 2 . . . A 7 GLN HB3 . 25352 1 54 . 1 1 7 7 GLN HG2 H 1 1.0044 0.0000 . 2 . . . A 7 GLN HG2 . 25352 1 55 . 1 1 7 7 GLN HG3 H 1 1.5681 0.0000 . 2 . . . A 7 GLN HG3 . 25352 1 56 . 1 1 7 7 GLN HE21 H 1 6.3941 0.0000 . 2 . . . A 7 GLN HE21 . 25352 1 57 . 1 1 7 7 GLN HE22 H 1 6.3300 0.0000 . 2 . . . A 7 GLN HE22 . 25352 1 58 . 1 1 8 8 PHE H H 1 7.8301 0.0000 . 1 . . . A 8 PHE H . 25352 1 59 . 1 1 8 8 PHE HA H 1 4.5523 0.0000 . 1 . . . A 8 PHE HA . 25352 1 60 . 1 1 8 8 PHE HB2 H 1 3.3373 0.0000 . 2 . . . A 8 PHE HB2 . 25352 1 61 . 1 1 8 8 PHE HB3 H 1 2.8286 0.0000 . 2 . . . A 8 PHE HB3 . 25352 1 62 . 1 1 8 8 PHE HD1 H 1 7.3264 0.0000 . 3 . . . A 8 PHE HD1 . 25352 1 63 . 1 1 8 8 PHE HD2 H 1 7.3263 0.0000 . 3 . . . A 8 PHE HD2 . 25352 1 64 . 1 1 8 8 PHE HE1 H 1 7.2306 0.0000 . 3 . . . A 8 PHE HE1 . 25352 1 65 . 1 1 8 8 PHE HE2 H 1 7.2302 0.0000 . 3 . . . A 8 PHE HE2 . 25352 1 66 . 1 1 8 8 PHE HZ H 1 7.1931 0.0000 . 1 . . . A 8 PHE HZ . 25352 1 67 . 1 1 9 9 GLY H H 1 7.8640 0.0000 . 1 . . . A 9 GLY H . 25352 1 68 . 1 1 9 9 GLY HA2 H 1 3.9800 0.0000 . 2 . . . A 9 GLY HA2 . 25352 1 69 . 1 1 9 9 GLY HA3 H 1 3.8527 0.0000 . 2 . . . A 9 GLY HA3 . 25352 1 70 . 1 1 10 10 ILE H H 1 7.6214 0.0000 . 1 . . . A 10 ILE H . 25352 1 71 . 1 1 10 10 ILE HA H 1 4.0874 0.0000 . 1 . . . A 10 ILE HA . 25352 1 72 . 1 1 10 10 ILE HB H 1 1.6769 0.0000 . 1 . . . A 10 ILE HB . 25352 1 73 . 1 1 10 10 ILE HG12 H 1 1.0997 0.0000 . 2 . . . A 10 ILE HG12 . 25352 1 74 . 1 1 10 10 ILE HG13 H 1 1.4201 0.0000 . 2 . . . A 10 ILE HG13 . 25352 1 75 . 1 1 10 10 ILE HG21 H 1 0.7629 0.0000 . 1 . . . A 10 ILE HG21 . 25352 1 76 . 1 1 10 10 ILE HG22 H 1 0.7629 0.0000 . 1 . . . A 10 ILE HG22 . 25352 1 77 . 1 1 10 10 ILE HG23 H 1 0.7629 0.0000 . 1 . . . A 10 ILE HG23 . 25352 1 78 . 1 1 10 10 ILE HD11 H 1 0.7921 0.0000 . 1 . . . A 10 ILE HD11 . 25352 1 79 . 1 1 10 10 ILE HD12 H 1 0.7921 0.0000 . 1 . . . A 10 ILE HD12 . 25352 1 80 . 1 1 10 10 ILE HD13 H 1 0.7921 0.0000 . 1 . . . A 10 ILE HD13 . 25352 1 81 . 1 1 11 11 HIS H H 1 8.2017 0.0000 . 1 . . . A 11 HIS H . 25352 1 82 . 1 1 11 11 HIS HB2 H 1 3.2474 0.0000 . 2 . . . A 11 HIS HB2 . 25352 1 83 . 1 1 11 11 HIS HB3 H 1 3.0721 0.0000 . 2 . . . A 11 HIS HB3 . 25352 1 84 . 1 1 12 12 LEU H H 1 8.1232 0.0000 . 1 . . . A 12 LEU H . 25352 1 85 . 1 1 12 12 LEU HA H 1 4.4470 0.0000 . 1 . . . A 12 LEU HA . 25352 1 86 . 1 1 12 12 LEU HB2 H 1 1.6646 0.0000 . 2 . . . A 12 LEU HB2 . 25352 1 87 . 1 1 12 12 LEU HB3 H 1 1.6640 0.0000 . 2 . . . A 12 LEU HB3 . 25352 1 88 . 1 1 12 12 LEU HG H 1 1.5474 0.0000 . 1 . . . A 12 LEU HG . 25352 1 89 . 1 1 12 12 LEU HD11 H 1 0.8780 0.0000 . 2 . . . A 12 LEU HD11 . 25352 1 90 . 1 1 12 12 LEU HD12 H 1 0.8780 0.0000 . 2 . . . A 12 LEU HD12 . 25352 1 91 . 1 1 12 12 LEU HD13 H 1 0.8780 0.0000 . 2 . . . A 12 LEU HD13 . 25352 1 92 . 1 1 12 12 LEU HD21 H 1 0.8772 0.0000 . 2 . . . A 12 LEU HD21 . 25352 1 93 . 1 1 12 12 LEU HD22 H 1 0.8772 0.0000 . 2 . . . A 12 LEU HD22 . 25352 1 94 . 1 1 12 12 LEU HD23 H 1 0.8772 0.0000 . 2 . . . A 12 LEU HD23 . 25352 1 95 . 1 1 13 13 ALA H H 1 8.2599 0.0000 . 1 . . . A 13 ALA H . 25352 1 96 . 1 1 13 13 ALA HA H 1 4.4269 0.0000 . 1 . . . A 13 ALA HA . 25352 1 97 . 1 1 13 13 ALA HB1 H 1 1.4538 0.0000 . 1 . . . A 13 ALA HB1 . 25352 1 98 . 1 1 13 13 ALA HB2 H 1 1.4538 0.0000 . 1 . . . A 13 ALA HB2 . 25352 1 99 . 1 1 13 13 ALA HB3 H 1 1.4538 0.0000 . 1 . . . A 13 ALA HB3 . 25352 1 100 . 1 1 14 14 THR H H 1 8.5363 0.0000 . 1 . . . A 14 THR H . 25352 1 101 . 1 1 14 14 THR HA H 1 3.9902 0.0000 . 1 . . . A 14 THR HA . 25352 1 102 . 1 1 14 14 THR HB H 1 4.2481 0.0000 . 1 . . . A 14 THR HB . 25352 1 103 . 1 1 14 14 THR HG21 H 1 1.2738 0.0000 . 1 . . . A 14 THR HG21 . 25352 1 104 . 1 1 14 14 THR HG22 H 1 1.2738 0.0000 . 1 . . . A 14 THR HG22 . 25352 1 105 . 1 1 14 14 THR HG23 H 1 1.2738 0.0000 . 1 . . . A 14 THR HG23 . 25352 1 106 . 1 1 15 15 GLY H H 1 8.2948 0.0000 . 1 . . . A 15 GLY H . 25352 1 107 . 1 1 15 15 GLY HA2 H 1 4.2475 0.0000 . 2 . . . A 15 GLY HA2 . 25352 1 108 . 1 1 15 15 GLY HA3 H 1 4.2470 0.0000 . 2 . . . A 15 GLY HA3 . 25352 1 109 . 1 1 16 16 THR H H 1 7.9809 0.0000 . 1 . . . A 16 THR H . 25352 1 110 . 1 1 16 16 THR HA H 1 3.8980 0.0000 . 1 . . . A 16 THR HA . 25352 1 111 . 1 1 16 16 THR HB H 1 4.1723 0.0000 . 1 . . . A 16 THR HB . 25352 1 112 . 1 1 16 16 THR HG21 H 1 1.2502 0.0000 . 1 . . . A 16 THR HG21 . 25352 1 113 . 1 1 16 16 THR HG22 H 1 1.2502 0.0000 . 1 . . . A 16 THR HG22 . 25352 1 114 . 1 1 16 16 THR HG23 H 1 1.2502 0.0000 . 1 . . . A 16 THR HG23 . 25352 1 115 . 1 1 17 17 ALA H H 1 8.5376 0.0000 . 1 . . . A 17 ALA H . 25352 1 116 . 1 1 17 17 ALA HA H 1 3.9889 0.0000 . 1 . . . A 17 ALA HA . 25352 1 117 . 1 1 17 17 ALA HB1 H 1 1.4699 0.0000 . 1 . . . A 17 ALA HB1 . 25352 1 118 . 1 1 17 17 ALA HB2 H 1 1.4699 0.0000 . 1 . . . A 17 ALA HB2 . 25352 1 119 . 1 1 17 17 ALA HB3 H 1 1.4699 0.0000 . 1 . . . A 17 ALA HB3 . 25352 1 120 . 1 1 18 18 ARG H H 1 7.9053 0.0000 . 1 . . . A 18 ARG H . 25352 1 121 . 1 1 18 18 ARG HA H 1 3.9328 0.0000 . 1 . . . A 18 ARG HA . 25352 1 122 . 1 1 18 18 ARG HB2 H 1 1.9092 0.0000 . 2 . . . A 18 ARG HB2 . 25352 1 123 . 1 1 18 18 ARG HB3 H 1 1.9098 0.0000 . 2 . . . A 18 ARG HB3 . 25352 1 124 . 1 1 18 18 ARG HG2 H 1 1.7809 0.0000 . 2 . . . A 18 ARG HG2 . 25352 1 125 . 1 1 18 18 ARG HG3 H 1 1.6792 0.0000 . 2 . . . A 18 ARG HG3 . 25352 1 126 . 1 1 18 18 ARG HD2 H 1 3.2166 0.0000 . 2 . . . A 18 ARG HD2 . 25352 1 127 . 1 1 18 18 ARG HD3 H 1 3.2989 0.0000 . 2 . . . A 18 ARG HD3 . 25352 1 128 . 1 1 18 18 ARG HE H 1 7.2010 0.0000 . 1 . . . A 18 ARG HE . 25352 1 129 . 1 1 19 19 LYS H H 1 7.7455 0.0000 . 1 . . . A 19 LYS H . 25352 1 130 . 1 1 19 19 LYS HA H 1 4.1257 0.0000 . 1 . . . A 19 LYS HA . 25352 1 131 . 1 1 19 19 LYS HB2 H 1 1.9751 0.0000 . 2 . . . A 19 LYS HB2 . 25352 1 132 . 1 1 19 19 LYS HB3 H 1 1.9751 0.0000 . 2 . . . A 19 LYS HB3 . 25352 1 133 . 1 1 19 19 LYS HG2 H 1 1.4529 0.0000 . 2 . . . A 19 LYS HG2 . 25352 1 134 . 1 1 19 19 LYS HG3 H 1 1.4529 0.0000 . 2 . . . A 19 LYS HG3 . 25352 1 135 . 1 1 19 19 LYS HD2 H 1 1.6105 0.0000 . 2 . . . A 19 LYS HD2 . 25352 1 136 . 1 1 19 19 LYS HD3 H 1 1.7278 0.0000 . 2 . . . A 19 LYS HD3 . 25352 1 137 . 1 1 19 19 LYS HE2 H 1 2.9908 0.0000 . 2 . . . A 19 LYS HE2 . 25352 1 138 . 1 1 19 19 LYS HE3 H 1 2.9913 0.0000 . 2 . . . A 19 LYS HE3 . 25352 1 139 . 1 1 20 20 LEU H H 1 7.9259 0.0000 . 1 . . . A 20 LEU H . 25352 1 140 . 1 1 20 20 LEU HA H 1 4.1314 0.0000 . 1 . . . A 20 LEU HA . 25352 1 141 . 1 1 20 20 LEU HB2 H 1 1.8633 0.0000 . 2 . . . A 20 LEU HB2 . 25352 1 142 . 1 1 20 20 LEU HB3 H 1 1.8218 0.0000 . 2 . . . A 20 LEU HB3 . 25352 1 143 . 1 1 20 20 LEU HG H 1 1.6408 0.0000 . 1 . . . A 20 LEU HG . 25352 1 144 . 1 1 20 20 LEU HD11 H 1 0.9155 0.0000 . 2 . . . A 20 LEU HD11 . 25352 1 145 . 1 1 20 20 LEU HD12 H 1 0.9155 0.0000 . 2 . . . A 20 LEU HD12 . 25352 1 146 . 1 1 20 20 LEU HD13 H 1 0.9155 0.0000 . 2 . . . A 20 LEU HD13 . 25352 1 147 . 1 1 20 20 LEU HD21 H 1 0.8912 0.0000 . 2 . . . A 20 LEU HD21 . 25352 1 148 . 1 1 20 20 LEU HD22 H 1 0.8912 0.0000 . 2 . . . A 20 LEU HD22 . 25352 1 149 . 1 1 20 20 LEU HD23 H 1 0.8912 0.0000 . 2 . . . A 20 LEU HD23 . 25352 1 150 . 1 1 21 21 LEU H H 1 8.1682 0.0000 . 1 . . . A 21 LEU H . 25352 1 151 . 1 1 21 21 LEU HA H 1 3.9870 0.0000 . 1 . . . A 21 LEU HA . 25352 1 152 . 1 1 21 21 LEU HB2 H 1 1.7619 0.0000 . 2 . . . A 21 LEU HB2 . 25352 1 153 . 1 1 21 21 LEU HB3 H 1 1.6896 0.0000 . 2 . . . A 21 LEU HB3 . 25352 1 154 . 1 1 21 21 LEU HG H 1 1.5565 0.0000 . 1 . . . A 21 LEU HG . 25352 1 155 . 1 1 21 21 LEU HD11 H 1 0.8987 0.0000 . 2 . . . A 21 LEU HD11 . 25352 1 156 . 1 1 21 21 LEU HD12 H 1 0.8987 0.0000 . 2 . . . A 21 LEU HD12 . 25352 1 157 . 1 1 21 21 LEU HD13 H 1 0.8987 0.0000 . 2 . . . A 21 LEU HD13 . 25352 1 158 . 1 1 21 21 LEU HD21 H 1 0.8787 0.0000 . 2 . . . A 21 LEU HD21 . 25352 1 159 . 1 1 21 21 LEU HD22 H 1 0.8787 0.0000 . 2 . . . A 21 LEU HD22 . 25352 1 160 . 1 1 21 21 LEU HD23 H 1 0.8787 0.0000 . 2 . . . A 21 LEU HD23 . 25352 1 161 . 1 1 22 22 ASP H H 1 8.3586 0.0000 . 1 . . . A 22 ASP H . 25352 1 162 . 1 1 22 22 ASP HA H 1 4.4057 0.0000 . 1 . . . A 22 ASP HA . 25352 1 163 . 1 1 22 22 ASP HB2 H 1 2.8518 0.0000 . 2 . . . A 22 ASP HB2 . 25352 1 164 . 1 1 22 22 ASP HB3 H 1 2.7059 0.0000 . 2 . . . A 22 ASP HB3 . 25352 1 165 . 1 1 23 23 ALA H H 1 7.7724 0.0000 . 1 . . . A 23 ALA H . 25352 1 166 . 1 1 23 23 ALA HA H 1 4.2312 0.0000 . 1 . . . A 23 ALA HA . 25352 1 167 . 1 1 23 23 ALA HB1 H 1 1.5952 0.0000 . 1 . . . A 23 ALA HB1 . 25352 1 168 . 1 1 23 23 ALA HB2 H 1 1.5952 0.0000 . 1 . . . A 23 ALA HB2 . 25352 1 169 . 1 1 23 23 ALA HB3 H 1 1.5952 0.0000 . 1 . . . A 23 ALA HB3 . 25352 1 170 . 1 1 24 24 VAL H H 1 7.9917 0.0000 . 1 . . . A 24 VAL H . 25352 1 171 . 1 1 24 24 VAL HA H 1 3.9602 0.0000 . 1 . . . A 24 VAL HA . 25352 1 172 . 1 1 24 24 VAL HB H 1 2.2402 0.0000 . 1 . . . A 24 VAL HB . 25352 1 173 . 1 1 24 24 VAL HG11 H 1 1.0692 0.0000 . 2 . . . A 24 VAL HG11 . 25352 1 174 . 1 1 24 24 VAL HG12 H 1 1.0692 0.0000 . 2 . . . A 24 VAL HG12 . 25352 1 175 . 1 1 24 24 VAL HG13 H 1 1.0692 0.0000 . 2 . . . A 24 VAL HG13 . 25352 1 176 . 1 1 24 24 VAL HG21 H 1 0.9778 0.0000 . 2 . . . A 24 VAL HG21 . 25352 1 177 . 1 1 24 24 VAL HG22 H 1 0.9778 0.0000 . 2 . . . A 24 VAL HG22 . 25352 1 178 . 1 1 24 24 VAL HG23 H 1 0.9778 0.0000 . 2 . . . A 24 VAL HG23 . 25352 1 179 . 1 1 25 25 ALA H H 1 8.3143 0.0000 . 1 . . . A 25 ALA H . 25352 1 180 . 1 1 25 25 ALA HA H 1 4.2796 0.0000 . 1 . . . A 25 ALA HA . 25352 1 181 . 1 1 25 25 ALA HB1 H 1 1.4934 0.0000 . 1 . . . A 25 ALA HB1 . 25352 1 182 . 1 1 25 25 ALA HB2 H 1 1.4934 0.0000 . 1 . . . A 25 ALA HB2 . 25352 1 183 . 1 1 25 25 ALA HB3 H 1 1.4934 0.0000 . 1 . . . A 25 ALA HB3 . 25352 1 184 . 1 1 26 26 SER H H 1 7.9188 0.0000 . 1 . . . A 26 SER H . 25352 1 185 . 1 1 26 26 SER HA H 1 4.3913 0.0000 . 1 . . . A 26 SER HA . 25352 1 186 . 1 1 26 26 SER HB2 H 1 4.0025 0.0000 . 2 . . . A 26 SER HB2 . 25352 1 187 . 1 1 26 26 SER HB3 H 1 4.0384 0.0000 . 2 . . . A 26 SER HB3 . 25352 1 188 . 1 1 27 27 GLY H H 1 8.2254 0.0000 . 1 . . . A 27 GLY H . 25352 1 189 . 1 1 27 27 GLY HA2 H 1 4.0259 0.0000 . 2 . . . A 27 GLY HA2 . 25352 1 190 . 1 1 27 27 GLY HA3 H 1 3.9638 0.0000 . 2 . . . A 27 GLY HA3 . 25352 1 191 . 1 1 28 28 ALA H H 1 8.0432 0.0000 . 1 . . . A 28 ALA H . 25352 1 192 . 1 1 28 28 ALA HA H 1 4.3703 0.0000 . 1 . . . A 28 ALA HA . 25352 1 193 . 1 1 28 28 ALA HB1 H 1 1.4317 0.0000 . 1 . . . A 28 ALA HB1 . 25352 1 194 . 1 1 28 28 ALA HB2 H 1 1.4317 0.0000 . 1 . . . A 28 ALA HB2 . 25352 1 195 . 1 1 28 28 ALA HB3 H 1 1.4317 0.0000 . 1 . . . A 28 ALA HB3 . 25352 1 196 . 1 1 29 29 SER H H 1 8.2068 0.0000 . 1 . . . A 29 SER H . 25352 1 197 . 1 1 29 29 SER HA H 1 4.5239 0.0000 . 1 . . . A 29 SER HA . 25352 1 198 . 1 1 29 29 SER HB2 H 1 3.9519 0.0000 . 2 . . . A 29 SER HB2 . 25352 1 199 . 1 1 29 29 SER HB3 H 1 3.9514 0.0000 . 2 . . . A 29 SER HB3 . 25352 1 200 . 1 1 30 30 LEU H H 1 8.2316 0.0000 . 1 . . . A 30 LEU H . 25352 1 201 . 1 1 30 30 LEU HA H 1 4.2362 0.0000 . 1 . . . A 30 LEU HA . 25352 1 202 . 1 1 30 30 LEU HB2 H 1 1.7590 0.0000 . 2 . . . A 30 LEU HB2 . 25352 1 203 . 1 1 30 30 LEU HB3 H 1 1.6996 0.0000 . 2 . . . A 30 LEU HB3 . 25352 1 204 . 1 1 30 30 LEU HG H 1 1.5568 0.0000 . 1 . . . A 30 LEU HG . 25352 1 205 . 1 1 30 30 LEU HD11 H 1 0.9066 0.0000 . 2 . . . A 30 LEU HD11 . 25352 1 206 . 1 1 30 30 LEU HD12 H 1 0.9066 0.0000 . 2 . . . A 30 LEU HD12 . 25352 1 207 . 1 1 30 30 LEU HD13 H 1 0.9066 0.0000 . 2 . . . A 30 LEU HD13 . 25352 1 208 . 1 1 30 30 LEU HD21 H 1 0.8549 0.0000 . 2 . . . A 30 LEU HD21 . 25352 1 209 . 1 1 30 30 LEU HD22 H 1 0.8549 0.0000 . 2 . . . A 30 LEU HD22 . 25352 1 210 . 1 1 30 30 LEU HD23 H 1 0.8549 0.0000 . 2 . . . A 30 LEU HD23 . 25352 1 211 . 1 1 31 31 GLY H H 1 8.4036 0.0000 . 1 . . . A 31 GLY H . 25352 1 212 . 1 1 31 31 GLY HA2 H 1 4.0082 0.0000 . 2 . . . A 31 GLY HA2 . 25352 1 213 . 1 1 31 31 GLY HA3 H 1 3.9028 0.0000 . 2 . . . A 31 GLY HA3 . 25352 1 214 . 1 1 32 32 THR H H 1 7.9527 0.0000 . 1 . . . A 32 THR H . 25352 1 215 . 1 1 32 32 THR HA H 1 4.1134 0.0000 . 1 . . . A 32 THR HA . 25352 1 216 . 1 1 32 32 THR HB H 1 4.2789 0.0000 . 1 . . . A 32 THR HB . 25352 1 217 . 1 1 32 32 THR HG21 H 1 1.2619 0.0000 . 1 . . . A 32 THR HG21 . 25352 1 218 . 1 1 32 32 THR HG22 H 1 1.2619 0.0000 . 1 . . . A 32 THR HG22 . 25352 1 219 . 1 1 32 32 THR HG23 H 1 1.2619 0.0000 . 1 . . . A 32 THR HG23 . 25352 1 220 . 1 1 33 33 ALA H H 1 8.0590 0.0000 . 1 . . . A 33 ALA H . 25352 1 221 . 1 1 33 33 ALA HA H 1 4.1953 0.0000 . 1 . . . A 33 ALA HA . 25352 1 222 . 1 1 33 33 ALA HB1 H 1 1.4224 0.0000 . 1 . . . A 33 ALA HB1 . 25352 1 223 . 1 1 33 33 ALA HB2 H 1 1.4224 0.0000 . 1 . . . A 33 ALA HB2 . 25352 1 224 . 1 1 33 33 ALA HB3 H 1 1.4224 0.0000 . 1 . . . A 33 ALA HB3 . 25352 1 225 . 1 1 34 34 PHE H H 1 8.2432 0.0000 . 1 . . . A 34 PHE H . 25352 1 226 . 1 1 34 34 PHE HA H 1 4.3420 0.0000 . 1 . . . A 34 PHE HA . 25352 1 227 . 1 1 34 34 PHE HB2 H 1 3.1652 0.0000 . 2 . . . A 34 PHE HB2 . 25352 1 228 . 1 1 34 34 PHE HB3 H 1 3.1652 0.0000 . 2 . . . A 34 PHE HB3 . 25352 1 229 . 1 1 34 34 PHE HD1 H 1 7.2106 0.0000 . 3 . . . A 34 PHE HD1 . 25352 1 230 . 1 1 34 34 PHE HD2 H 1 7.2115 0.0000 . 3 . . . A 34 PHE HD2 . 25352 1 231 . 1 1 34 34 PHE HE1 H 1 7.2267 0.0000 . 3 . . . A 34 PHE HE1 . 25352 1 232 . 1 1 34 34 PHE HE2 H 1 7.2264 0.0000 . 3 . . . A 34 PHE HE2 . 25352 1 233 . 1 1 34 34 PHE HZ H 1 7.1548 0.0000 . 1 . . . A 34 PHE HZ . 25352 1 234 . 1 1 35 35 ALA H H 1 7.9517 0.0000 . 1 . . . A 35 ALA H . 25352 1 235 . 1 1 35 35 ALA HA H 1 3.9850 0.0000 . 1 . . . A 35 ALA HA . 25352 1 236 . 1 1 35 35 ALA HB1 H 1 1.4930 0.0000 . 1 . . . A 35 ALA HB1 . 25352 1 237 . 1 1 35 35 ALA HB2 H 1 1.4930 0.0000 . 1 . . . A 35 ALA HB2 . 25352 1 238 . 1 1 35 35 ALA HB3 H 1 1.4930 0.0000 . 1 . . . A 35 ALA HB3 . 25352 1 239 . 1 1 36 36 ALA H H 1 7.7992 0.0000 . 1 . . . A 36 ALA H . 25352 1 240 . 1 1 36 36 ALA HA H 1 4.1698 0.0000 . 1 . . . A 36 ALA HA . 25352 1 241 . 1 1 36 36 ALA HB1 H 1 1.5203 0.0000 . 1 . . . A 36 ALA HB1 . 25352 1 242 . 1 1 36 36 ALA HB2 H 1 1.5203 0.0000 . 1 . . . A 36 ALA HB2 . 25352 1 243 . 1 1 36 36 ALA HB3 H 1 1.5203 0.0000 . 1 . . . A 36 ALA HB3 . 25352 1 244 . 1 1 37 37 ILE H H 1 7.7955 0.0000 . 1 . . . A 37 ILE H . 25352 1 245 . 1 1 37 37 ILE HA H 1 3.9167 0.0000 . 1 . . . A 37 ILE HA . 25352 1 246 . 1 1 37 37 ILE HB H 1 1.9637 0.0000 . 1 . . . A 37 ILE HB . 25352 1 247 . 1 1 37 37 ILE HG12 H 1 1.6937 0.0000 . 2 . . . A 37 ILE HG12 . 25352 1 248 . 1 1 37 37 ILE HG13 H 1 1.2491 0.0000 . 2 . . . A 37 ILE HG13 . 25352 1 249 . 1 1 37 37 ILE HG21 H 1 0.9250 0.0000 . 1 . . . A 37 ILE HG21 . 25352 1 250 . 1 1 37 37 ILE HG22 H 1 0.9250 0.0000 . 1 . . . A 37 ILE HG22 . 25352 1 251 . 1 1 37 37 ILE HG23 H 1 0.9250 0.0000 . 1 . . . A 37 ILE HG23 . 25352 1 252 . 1 1 37 37 ILE HD11 H 1 0.8638 0.0000 . 1 . . . A 37 ILE HD11 . 25352 1 253 . 1 1 37 37 ILE HD12 H 1 0.8638 0.0000 . 1 . . . A 37 ILE HD12 . 25352 1 254 . 1 1 37 37 ILE HD13 H 1 0.8638 0.0000 . 1 . . . A 37 ILE HD13 . 25352 1 255 . 1 1 38 38 LEU H H 1 7.6439 0.0000 . 1 . . . A 38 LEU H . 25352 1 256 . 1 1 38 38 LEU HA H 1 4.1369 0.0000 . 1 . . . A 38 LEU HA . 25352 1 257 . 1 1 38 38 LEU HB2 H 1 1.6830 0.0000 . 2 . . . A 38 LEU HB2 . 25352 1 258 . 1 1 38 38 LEU HB3 H 1 1.6339 0.0000 . 2 . . . A 38 LEU HB3 . 25352 1 259 . 1 1 38 38 LEU HG H 1 1.5174 0.0000 . 1 . . . A 38 LEU HG . 25352 1 260 . 1 1 38 38 LEU HD11 H 1 0.7997 0.0000 . 2 . . . A 38 LEU HD11 . 25352 1 261 . 1 1 38 38 LEU HD12 H 1 0.7997 0.0000 . 2 . . . A 38 LEU HD12 . 25352 1 262 . 1 1 38 38 LEU HD13 H 1 0.7997 0.0000 . 2 . . . A 38 LEU HD13 . 25352 1 263 . 1 1 38 38 LEU HD21 H 1 0.7760 0.0000 . 2 . . . A 38 LEU HD21 . 25352 1 264 . 1 1 38 38 LEU HD22 H 1 0.7760 0.0000 . 2 . . . A 38 LEU HD22 . 25352 1 265 . 1 1 38 38 LEU HD23 H 1 0.7760 0.0000 . 2 . . . A 38 LEU HD23 . 25352 1 266 . 1 1 39 39 GLY H H 1 7.8392 0.0000 . 1 . . . A 39 GLY H . 25352 1 267 . 1 1 39 39 GLY HA2 H 1 4.0570 0.0000 . 2 . . . A 39 GLY HA2 . 25352 1 268 . 1 1 39 39 GLY HA3 H 1 3.8476 0.0000 . 2 . . . A 39 GLY HA3 . 25352 1 269 . 1 1 40 40 VAL H H 1 7.3524 0.0000 . 1 . . . A 40 VAL H . 25352 1 270 . 1 1 40 40 VAL HA H 1 4.2380 0.0000 . 1 . . . A 40 VAL HA . 25352 1 271 . 1 1 40 40 VAL HB H 1 2.1825 0.0000 . 1 . . . A 40 VAL HB . 25352 1 272 . 1 1 40 40 VAL HG11 H 1 0.9741 0.0000 . 2 . . . A 40 VAL HG11 . 25352 1 273 . 1 1 40 40 VAL HG12 H 1 0.9741 0.0000 . 2 . . . A 40 VAL HG12 . 25352 1 274 . 1 1 40 40 VAL HG13 H 1 0.9741 0.0000 . 2 . . . A 40 VAL HG13 . 25352 1 275 . 1 1 40 40 VAL HG21 H 1 0.9328 0.0000 . 2 . . . A 40 VAL HG21 . 25352 1 276 . 1 1 40 40 VAL HG22 H 1 0.9328 0.0000 . 2 . . . A 40 VAL HG22 . 25352 1 277 . 1 1 40 40 VAL HG23 H 1 0.9328 0.0000 . 2 . . . A 40 VAL HG23 . 25352 1 278 . 1 1 41 41 THR H H 1 7.9807 0.0000 . 1 . . . A 41 THR H . 25352 1 279 . 1 1 41 41 THR HA H 1 4.3925 0.0000 . 1 . . . A 41 THR HA . 25352 1 280 . 1 1 41 41 THR HB H 1 4.0421 0.0000 . 1 . . . A 41 THR HB . 25352 1 281 . 1 1 41 41 THR HG21 H 1 1.1553 0.0000 . 1 . . . A 41 THR HG21 . 25352 1 282 . 1 1 41 41 THR HG22 H 1 1.1553 0.0000 . 1 . . . A 41 THR HG22 . 25352 1 283 . 1 1 41 41 THR HG23 H 1 1.1553 0.0000 . 1 . . . A 41 THR HG23 . 25352 1 284 . 1 1 42 42 LEU H H 1 8.3204 0.0000 . 1 . . . A 42 LEU H . 25352 1 285 . 1 1 42 42 LEU HA H 1 4.3130 0.0000 . 1 . . . A 42 LEU HA . 25352 1 286 . 1 1 42 42 LEU HB2 H 1 1.6133 0.0000 . 2 . . . A 42 LEU HB2 . 25352 1 287 . 1 1 42 42 LEU HD11 H 1 0.8166 0.0000 . 2 . . . A 42 LEU HD11 . 25352 1 288 . 1 1 42 42 LEU HD12 H 1 0.8166 0.0000 . 2 . . . A 42 LEU HD12 . 25352 1 289 . 1 1 42 42 LEU HD13 H 1 0.8166 0.0000 . 2 . . . A 42 LEU HD13 . 25352 1 290 . 1 1 42 42 LEU HD21 H 1 0.7415 0.0000 . 2 . . . A 42 LEU HD21 . 25352 1 291 . 1 1 42 42 LEU HD22 H 1 0.7415 0.0000 . 2 . . . A 42 LEU HD22 . 25352 1 292 . 1 1 42 42 LEU HD23 H 1 0.7415 0.0000 . 2 . . . A 42 LEU HD23 . 25352 1 293 . 1 1 43 43 PRO HA H 1 4.3809 0.0000 . 1 . . . A 43 PRO HA . 25352 1 294 . 1 1 43 43 PRO HB2 H 1 2.2533 0.0000 . 2 . . . A 43 PRO HB2 . 25352 1 295 . 1 1 43 43 PRO HB3 H 1 1.9122 0.0000 . 2 . . . A 43 PRO HB3 . 25352 1 296 . 1 1 43 43 PRO HG2 H 1 1.2285 0.0000 . 2 . . . A 43 PRO HG2 . 25352 1 297 . 1 1 43 43 PRO HG3 H 1 1.0133 0.0000 . 2 . . . A 43 PRO HG3 . 25352 1 298 . 1 1 43 43 PRO HD2 H 1 3.7663 0.0000 . 2 . . . A 43 PRO HD2 . 25352 1 299 . 1 1 43 43 PRO HD3 H 1 3.0132 0.0000 . 2 . . . A 43 PRO HD3 . 25352 1 300 . 1 1 44 44 ALA H H 1 8.6487 0.0000 . 1 . . . A 44 ALA H . 25352 1 301 . 1 1 44 44 ALA HA H 1 3.9898 0.0000 . 1 . . . A 44 ALA HA . 25352 1 302 . 1 1 44 44 ALA HB1 H 1 1.5280 0.0000 . 1 . . . A 44 ALA HB1 . 25352 1 303 . 1 1 44 44 ALA HB2 H 1 1.5280 0.0000 . 1 . . . A 44 ALA HB2 . 25352 1 304 . 1 1 44 44 ALA HB3 H 1 1.5280 0.0000 . 1 . . . A 44 ALA HB3 . 25352 1 305 . 1 1 45 45 TRP H H 1 7.5936 0.0000 . 1 . . . A 45 TRP H . 25352 1 306 . 1 1 45 45 TRP HA H 1 4.4701 0.0000 . 1 . . . A 45 TRP HA . 25352 1 307 . 1 1 45 45 TRP HB2 H 1 3.4794 0.0000 . 2 . . . A 45 TRP HB2 . 25352 1 308 . 1 1 45 45 TRP HB3 H 1 3.3429 0.0000 . 2 . . . A 45 TRP HB3 . 25352 1 309 . 1 1 45 45 TRP HD1 H 1 7.5481 0.0000 . 1 . . . A 45 TRP HD1 . 25352 1 310 . 1 1 45 45 TRP HE1 H 1 10.3084 0.0000 . 1 . . . A 45 TRP HE1 . 25352 1 311 . 1 1 45 45 TRP HE3 H 1 7.2665 0.0000 . 1 . . . A 45 TRP HE3 . 25352 1 312 . 1 1 45 45 TRP HZ2 H 1 7.4402 0.0000 . 1 . . . A 45 TRP HZ2 . 25352 1 313 . 1 1 45 45 TRP HZ3 H 1 6.8813 0.0000 . 1 . . . A 45 TRP HZ3 . 25352 1 314 . 1 1 45 45 TRP HH2 H 1 7.0369 0.0000 . 1 . . . A 45 TRP HH2 . 25352 1 315 . 1 1 46 46 ALA H H 1 6.7220 0.0000 . 1 . . . A 46 ALA H . 25352 1 316 . 1 1 46 46 ALA HA H 1 3.8934 0.0000 . 1 . . . A 46 ALA HA . 25352 1 317 . 1 1 46 46 ALA HB1 H 1 0.7936 0.0000 . 1 . . . A 46 ALA HB1 . 25352 1 318 . 1 1 46 46 ALA HB2 H 1 0.7936 0.0000 . 1 . . . A 46 ALA HB2 . 25352 1 319 . 1 1 46 46 ALA HB3 H 1 0.7936 0.0000 . 1 . . . A 46 ALA HB3 . 25352 1 320 . 1 1 47 47 LEU H H 1 7.3134 0.0000 . 1 . . . A 47 LEU H . 25352 1 321 . 1 1 47 47 LEU HA H 1 3.9831 0.0000 . 1 . . . A 47 LEU HA . 25352 1 322 . 1 1 47 47 LEU HB2 H 1 1.7118 0.0000 . 2 . . . A 47 LEU HB2 . 25352 1 323 . 1 1 47 47 LEU HB3 H 1 1.7120 0.0000 . 2 . . . A 47 LEU HB3 . 25352 1 324 . 1 1 47 47 LEU HG H 1 1.5816 0.0000 . 1 . . . A 47 LEU HG . 25352 1 325 . 1 1 47 47 LEU HD11 H 1 0.8413 0.0000 . 2 . . . A 47 LEU HD11 . 25352 1 326 . 1 1 47 47 LEU HD12 H 1 0.8413 0.0000 . 2 . . . A 47 LEU HD12 . 25352 1 327 . 1 1 47 47 LEU HD13 H 1 0.8413 0.0000 . 2 . . . A 47 LEU HD13 . 25352 1 328 . 1 1 47 47 LEU HD21 H 1 0.8797 0.0000 . 2 . . . A 47 LEU HD21 . 25352 1 329 . 1 1 47 47 LEU HD22 H 1 0.8797 0.0000 . 2 . . . A 47 LEU HD22 . 25352 1 330 . 1 1 47 47 LEU HD23 H 1 0.8797 0.0000 . 2 . . . A 47 LEU HD23 . 25352 1 331 . 1 1 48 48 ALA H H 1 7.9493 0.0000 . 1 . . . A 48 ALA H . 25352 1 332 . 1 1 48 48 ALA HA H 1 4.1821 0.0000 . 1 . . . A 48 ALA HA . 25352 1 333 . 1 1 48 48 ALA HB1 H 1 1.5373 0.0000 . 1 . . . A 48 ALA HB1 . 25352 1 334 . 1 1 48 48 ALA HB2 H 1 1.5373 0.0000 . 1 . . . A 48 ALA HB2 . 25352 1 335 . 1 1 48 48 ALA HB3 H 1 1.5373 0.0000 . 1 . . . A 48 ALA HB3 . 25352 1 336 . 1 1 49 49 ALA H H 1 8.0475 0.0000 . 1 . . . A 49 ALA H . 25352 1 337 . 1 1 49 49 ALA HA H 1 4.1752 0.0000 . 1 . . . A 49 ALA HA . 25352 1 338 . 1 1 49 49 ALA HB1 H 1 1.6011 0.0000 . 1 . . . A 49 ALA HB1 . 25352 1 339 . 1 1 49 49 ALA HB2 H 1 1.6011 0.0000 . 1 . . . A 49 ALA HB2 . 25352 1 340 . 1 1 49 49 ALA HB3 H 1 1.6011 0.0000 . 1 . . . A 49 ALA HB3 . 25352 1 341 . 1 1 50 50 ALA H H 1 8.1096 0.0000 . 1 . . . A 50 ALA H . 25352 1 342 . 1 1 50 50 ALA HA H 1 4.0081 0.0000 . 1 . . . A 50 ALA HA . 25352 1 343 . 1 1 50 50 ALA HB1 H 1 1.4823 0.0000 . 1 . . . A 50 ALA HB1 . 25352 1 344 . 1 1 50 50 ALA HB2 H 1 1.4823 0.0000 . 1 . . . A 50 ALA HB2 . 25352 1 345 . 1 1 50 50 ALA HB3 H 1 1.4823 0.0000 . 1 . . . A 50 ALA HB3 . 25352 1 346 . 1 1 51 51 GLY H H 1 8.1303 0.0000 . 1 . . . A 51 GLY H . 25352 1 347 . 1 1 51 51 GLY HA2 H 1 3.9361 0.0000 . 2 . . . A 51 GLY HA2 . 25352 1 348 . 1 1 51 51 GLY HA3 H 1 3.9360 0.0000 . 2 . . . A 51 GLY HA3 . 25352 1 349 . 1 1 52 52 ALA H H 1 7.9193 0.0000 . 1 . . . A 52 ALA H . 25352 1 350 . 1 1 52 52 ALA HA H 1 4.0134 0.0000 . 1 . . . A 52 ALA HA . 25352 1 351 . 1 1 52 52 ALA HB1 H 1 1.4848 0.0000 . 1 . . . A 52 ALA HB1 . 25352 1 352 . 1 1 52 52 ALA HB2 H 1 1.4848 0.0000 . 1 . . . A 52 ALA HB2 . 25352 1 353 . 1 1 52 52 ALA HB3 H 1 1.4848 0.0000 . 1 . . . A 52 ALA HB3 . 25352 1 354 . 1 1 54 54 GLY H H 1 8.2251 0.0000 . 1 . . . A 54 GLY H . 25352 1 355 . 1 1 54 54 GLY HA2 H 1 4.0467 0.0000 . 2 . . . A 54 GLY HA2 . 25352 1 356 . 1 1 54 54 GLY HA3 H 1 3.9451 0.0000 . 2 . . . A 54 GLY HA3 . 25352 1 357 . 1 1 55 55 ALA H H 1 8.0421 0.0000 . 1 . . . A 55 ALA H . 25352 1 358 . 1 1 55 55 ALA HA H 1 4.2210 0.0000 . 1 . . . A 55 ALA HA . 25352 1 359 . 1 1 55 55 ALA HB1 H 1 1.8600 0.0000 . 1 . . . A 55 ALA HB1 . 25352 1 360 . 1 1 55 55 ALA HB2 H 1 1.8600 0.0000 . 1 . . . A 55 ALA HB2 . 25352 1 361 . 1 1 55 55 ALA HB3 H 1 1.8600 0.0000 . 1 . . . A 55 ALA HB3 . 25352 1 362 . 1 1 56 56 THR H H 1 7.8901 0.0000 . 1 . . . A 56 THR H . 25352 1 363 . 1 1 56 56 THR HA H 1 4.1200 0.0000 . 1 . . . A 56 THR HA . 25352 1 364 . 1 1 56 56 THR HB H 1 4.3177 0.0000 . 1 . . . A 56 THR HB . 25352 1 365 . 1 1 56 56 THR HG21 H 1 1.3350 0.0000 . 1 . . . A 56 THR HG21 . 25352 1 366 . 1 1 56 56 THR HG22 H 1 1.3350 0.0000 . 1 . . . A 56 THR HG22 . 25352 1 367 . 1 1 56 56 THR HG23 H 1 1.3350 0.0000 . 1 . . . A 56 THR HG23 . 25352 1 368 . 1 1 57 57 ALA H H 1 8.1583 0.0000 . 1 . . . A 57 ALA H . 25352 1 369 . 1 1 57 57 ALA HA H 1 4.3836 0.0000 . 1 . . . A 57 ALA HA . 25352 1 370 . 1 1 57 57 ALA HB1 H 1 1.5668 0.0000 . 1 . . . A 57 ALA HB1 . 25352 1 371 . 1 1 57 57 ALA HB2 H 1 1.5668 0.0000 . 1 . . . A 57 ALA HB2 . 25352 1 372 . 1 1 57 57 ALA HB3 H 1 1.5668 0.0000 . 1 . . . A 57 ALA HB3 . 25352 1 373 . 1 1 58 58 ALA H H 1 8.2278 0.0000 . 1 . . . A 58 ALA H . 25352 1 374 . 1 1 58 58 ALA HA H 1 4.3071 0.0000 . 1 . . . A 58 ALA HA . 25352 1 375 . 1 1 58 58 ALA HB1 H 1 1.5035 0.0000 . 1 . . . A 58 ALA HB1 . 25352 1 376 . 1 1 58 58 ALA HB2 H 1 1.5035 0.0000 . 1 . . . A 58 ALA HB2 . 25352 1 377 . 1 1 58 58 ALA HB3 H 1 1.5035 0.0000 . 1 . . . A 58 ALA HB3 . 25352 1 stop_ save_