################################### # 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 25218 _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 '3D HNCA' . . . 25218 1 2 '3D HNCACB' . . . 25218 1 3 '3D HN(CO)CA' . . . 25218 1 4 '2D 1H-15N HSQC' . . . 25218 1 5 '2D 1H-1H TOCSY' . . . 25218 1 6 '2D 1H-1H NOESY' . . . 25218 1 7 '3D 1H-15N NOESY' . . . 25218 1 8 '3D 1H-15N TOCSY' . . . 25218 1 9 '3D 1H-13C NOESY aliphatic' . . . 25218 1 10 '3D HCCH-TOCSY' . . . 25218 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 ASP CA C 13 53.036 0.400 . 1 . . . . 1 ASP CA . 25218 1 2 . 1 1 1 1 ASP CB C 13 38.622 0.400 . 1 . . . . 1 ASP CB . 25218 1 3 . 1 1 1 1 ASP N N 15 117.609 0.400 . 1 . . . . 1 ASP N . 25218 1 4 . 1 1 2 2 ALA H H 1 7.958 0.020 . 1 . . . . 2 ALA H . 25218 1 5 . 1 1 2 2 ALA HA H 1 4.161 0.020 . 1 . . . . 2 ALA HA . 25218 1 6 . 1 1 2 2 ALA HB1 H 1 1.267 0.020 . 1 . . . . 2 ALA HB1 . 25218 1 7 . 1 1 2 2 ALA HB2 H 1 1.267 0.020 . 1 . . . . 2 ALA HB2 . 25218 1 8 . 1 1 2 2 ALA HB3 H 1 1.267 0.020 . 1 . . . . 2 ALA HB3 . 25218 1 9 . 1 1 2 2 ALA CA C 13 52.400 0.400 . 1 . . . . 2 ALA CA . 25218 1 10 . 1 1 2 2 ALA CB C 13 19.112 0.400 . 1 . . . . 2 ALA CB . 25218 1 11 . 1 1 2 2 ALA N N 15 123.781 0.400 . 1 . . . . 2 ALA N . 25218 1 12 . 1 1 3 3 GLU H H 1 8.459 0.020 . 1 . . . . 3 GLU H . 25218 1 13 . 1 1 3 3 GLU HA H 1 4.073 0.020 . 1 . . . . 3 GLU HA . 25218 1 14 . 1 1 3 3 GLU HB2 H 1 1.801 0.020 . 2 . . . . 3 GLU HB2 . 25218 1 15 . 1 1 3 3 GLU HB3 H 1 2.002 0.020 . 2 . . . . 3 GLU HB3 . 25218 1 16 . 1 1 3 3 GLU HG2 H 1 2.108 0.020 . 2 . . . . 3 GLU HG2 . 25218 1 17 . 1 1 3 3 GLU HG3 H 1 2.108 0.020 . 2 . . . . 3 GLU HG3 . 25218 1 18 . 1 1 3 3 GLU CA C 13 56.497 0.400 . 1 . . . . 3 GLU CA . 25218 1 19 . 1 1 3 3 GLU CB C 13 30.199 0.400 . 1 . . . . 3 GLU CB . 25218 1 20 . 1 1 3 3 GLU N N 15 120.309 0.400 . 1 . . . . 3 GLU N . 25218 1 21 . 1 1 4 4 PHE H H 1 8.299 0.020 . 1 . . . . 4 PHE H . 25218 1 22 . 1 1 4 4 PHE HA H 1 4.438 0.020 . 1 . . . . 4 PHE HA . 25218 1 23 . 1 1 4 4 PHE HB2 H 1 2.895 0.020 . 2 . . . . 4 PHE HB2 . 25218 1 24 . 1 1 4 4 PHE HB3 H 1 2.895 0.020 . 2 . . . . 4 PHE HB3 . 25218 1 25 . 1 1 4 4 PHE CA C 13 57.630 0.400 . 1 . . . . 4 PHE CA . 25218 1 26 . 1 1 4 4 PHE CB C 13 39.487 0.400 . 1 . . . . 4 PHE CB . 25218 1 27 . 1 1 4 4 PHE N N 15 121.733 0.400 . 1 . . . . 4 PHE N . 25218 1 28 . 1 1 5 5 ARG H H 1 8.112 0.020 . 1 . . . . 5 ARG H . 25218 1 29 . 1 1 5 5 ARG HA H 1 4.162 0.020 . 1 . . . . 5 ARG HA . 25218 1 30 . 1 1 5 5 ARG HB2 H 1 1.620 0.020 . 2 . . . . 5 ARG HB2 . 25218 1 31 . 1 1 5 5 ARG HB3 H 1 1.511 0.020 . 2 . . . . 5 ARG HB3 . 25218 1 32 . 1 1 5 5 ARG HG2 H 1 1.380 0.020 . 2 . . . . 5 ARG HG2 . 25218 1 33 . 1 1 5 5 ARG HG3 H 1 1.380 0.020 . 2 . . . . 5 ARG HG3 . 25218 1 34 . 1 1 5 5 ARG HD2 H 1 3.011 0.020 . 2 . . . . 5 ARG HD2 . 25218 1 35 . 1 1 5 5 ARG HD3 H 1 3.011 0.020 . 2 . . . . 5 ARG HD3 . 25218 1 36 . 1 1 5 5 ARG CA C 13 55.312 0.400 . 1 . . . . 5 ARG CA . 25218 1 37 . 1 1 5 5 ARG CB C 13 31.109 0.400 . 1 . . . . 5 ARG CB . 25218 1 38 . 1 1 5 5 ARG N N 15 123.861 0.400 . 1 . . . . 5 ARG N . 25218 1 39 . 1 1 6 6 HIS H H 1 8.379 0.020 . 1 . . . . 6 HIS H . 25218 1 40 . 1 1 6 6 HIS HA H 1 4.401 0.020 . 1 . . . . 6 HIS HA . 25218 1 41 . 1 1 6 6 HIS HB2 H 1 2.923 0.020 . 2 . . . . 6 HIS HB2 . 25218 1 42 . 1 1 6 6 HIS HB3 H 1 2.923 0.020 . 2 . . . . 6 HIS HB3 . 25218 1 43 . 1 1 6 6 HIS CA C 13 56.478 0.400 . 1 . . . . 6 HIS CA . 25218 1 44 . 1 1 6 6 HIS CB C 13 30.743 0.400 . 1 . . . . 6 HIS CB . 25218 1 45 . 1 1 6 6 HIS N N 15 122.416 0.400 . 1 . . . . 6 HIS N . 25218 1 46 . 1 1 7 7 ASP H H 1 8.332 0.020 . 1 . . . . 7 ASP H . 25218 1 47 . 1 1 7 7 ASP HA H 1 4.509 0.020 . 1 . . . . 7 ASP HA . 25218 1 48 . 1 1 7 7 ASP HB2 H 1 2.558 0.020 . 2 . . . . 7 ASP HB2 . 25218 1 49 . 1 1 7 7 ASP HB3 H 1 2.558 0.020 . 2 . . . . 7 ASP HB3 . 25218 1 50 . 1 1 7 7 ASP CA C 13 53.908 0.400 . 1 . . . . 7 ASP CA . 25218 1 51 . 1 1 7 7 ASP CB C 13 40.970 0.400 . 1 . . . . 7 ASP CB . 25218 1 52 . 1 1 7 7 ASP N N 15 121.615 0.400 . 1 . . . . 7 ASP N . 25218 1 53 . 1 1 8 8 SER H H 1 8.406 0.020 . 1 . . . . 8 SER H . 25218 1 54 . 1 1 8 8 SER HA H 1 4.268 0.020 . 1 . . . . 8 SER HA . 25218 1 55 . 1 1 8 8 SER HB2 H 1 3.770 0.020 . 2 . . . . 8 SER HB2 . 25218 1 56 . 1 1 8 8 SER HB3 H 1 3.789 0.020 . 2 . . . . 8 SER HB3 . 25218 1 57 . 1 1 8 8 SER CA C 13 58.890 0.400 . 1 . . . . 8 SER CA . 25218 1 58 . 1 1 8 8 SER CB C 13 63.605 0.400 . 1 . . . . 8 SER CB . 25218 1 59 . 1 1 8 8 SER N N 15 116.526 0.400 . 1 . . . . 8 SER N . 25218 1 60 . 1 1 9 9 GLY H H 1 8.525 0.020 . 1 . . . . 9 GLY H . 25218 1 61 . 1 1 9 9 GLY HA3 H 1 3.781 0.020 . 2 . . . . 9 GLY HA3 . 25218 1 62 . 1 1 9 9 GLY CA C 13 45.087 0.400 . 1 . . . . 9 GLY CA . 25218 1 63 . 1 1 9 9 GLY N N 15 110.656 0.400 . 1 . . . . 9 GLY N . 25218 1 64 . 1 1 10 10 TYR H H 1 7.931 0.020 . 1 . . . . 10 TYR H . 25218 1 65 . 1 1 10 10 TYR HA H 1 4.413 0.020 . 1 . . . . 10 TYR HA . 25218 1 66 . 1 1 10 10 TYR HB2 H 1 2.919 0.020 . 2 . . . . 10 TYR HB2 . 25218 1 67 . 1 1 10 10 TYR HB3 H 1 2.842 0.020 . 2 . . . . 10 TYR HB3 . 25218 1 68 . 1 1 10 10 TYR CA C 13 58.005 0.400 . 1 . . . . 10 TYR CA . 25218 1 69 . 1 1 10 10 TYR CB C 13 38.722 0.400 . 1 . . . . 10 TYR CB . 25218 1 70 . 1 1 10 10 TYR N N 15 119.973 0.400 . 1 . . . . 10 TYR N . 25218 1 71 . 1 1 11 11 GLU H H 1 8.378 0.020 . 1 . . . . 11 GLU H . 25218 1 72 . 1 1 11 11 GLU HA H 1 4.087 0.020 . 1 . . . . 11 GLU HA . 25218 1 73 . 1 1 11 11 GLU HB2 H 1 1.721 0.020 . 2 . . . . 11 GLU HB2 . 25218 1 74 . 1 1 11 11 GLU HB3 H 1 1.721 0.020 . 2 . . . . 11 GLU HB3 . 25218 1 75 . 1 1 11 11 GLU HG2 H 1 2.075 0.020 . 2 . . . . 11 GLU HG2 . 25218 1 76 . 1 1 11 11 GLU HG3 H 1 2.075 0.020 . 2 . . . . 11 GLU HG3 . 25218 1 77 . 1 1 11 11 GLU CA C 13 56.468 0.400 . 1 . . . . 11 GLU CA . 25218 1 78 . 1 1 11 11 GLU CB C 13 30.260 0.400 . 1 . . . . 11 GLU CB . 25218 1 79 . 1 1 11 11 GLU N N 15 122.553 0.400 . 1 . . . . 11 GLU N . 25218 1 80 . 1 1 12 12 VAL H H 1 8.083 0.020 . 1 . . . . 12 VAL H . 25218 1 81 . 1 1 12 12 VAL HA H 1 3.825 0.020 . 1 . . . . 12 VAL HA . 25218 1 82 . 1 1 12 12 VAL HB H 1 1.830 0.020 . 1 . . . . 12 VAL HB . 25218 1 83 . 1 1 12 12 VAL HG11 H 1 0.669 0.020 . 2 . . . . 12 VAL HG11 . 25218 1 84 . 1 1 12 12 VAL HG12 H 1 0.669 0.020 . 2 . . . . 12 VAL HG12 . 25218 1 85 . 1 1 12 12 VAL HG13 H 1 0.669 0.020 . 2 . . . . 12 VAL HG13 . 25218 1 86 . 1 1 12 12 VAL HG21 H 1 0.757 0.020 . 2 . . . . 12 VAL HG21 . 25218 1 87 . 1 1 12 12 VAL HG22 H 1 0.757 0.020 . 2 . . . . 12 VAL HG22 . 25218 1 88 . 1 1 12 12 VAL HG23 H 1 0.757 0.020 . 2 . . . . 12 VAL HG23 . 25218 1 89 . 1 1 12 12 VAL CA C 13 62.786 0.400 . 1 . . . . 12 VAL CA . 25218 1 90 . 1 1 12 12 VAL CB C 13 32.485 0.400 . 1 . . . . 12 VAL CB . 25218 1 91 . 1 1 12 12 VAL N N 15 121.135 0.400 . 1 . . . . 12 VAL N . 25218 1 92 . 1 1 13 13 HIS H H 1 8.246 0.020 . 1 . . . . 13 HIS H . 25218 1 93 . 1 1 13 13 HIS HA H 1 4.475 0.020 . 1 . . . . 13 HIS HA . 25218 1 94 . 1 1 13 13 HIS HB2 H 1 2.903 0.020 . 2 . . . . 13 HIS HB2 . 25218 1 95 . 1 1 13 13 HIS HB3 H 1 2.910 0.020 . 2 . . . . 13 HIS HB3 . 25218 1 96 . 1 1 13 13 HIS CA C 13 56.193 0.400 . 1 . . . . 13 HIS CA . 25218 1 97 . 1 1 13 13 HIS CB C 13 30.727 0.400 . 1 . . . . 13 HIS CB . 25218 1 98 . 1 1 13 13 HIS N N 15 122.697 0.400 . 1 . . . . 13 HIS N . 25218 1 99 . 1 1 14 14 HIS H H 1 8.142 0.020 . 1 . . . . 14 HIS H . 25218 1 100 . 1 1 14 14 HIS HA H 1 4.426 0.020 . 1 . . . . 14 HIS HA . 25218 1 101 . 1 1 14 14 HIS HB2 H 1 2.899 0.020 . 2 . . . . 14 HIS HB2 . 25218 1 102 . 1 1 14 14 HIS HB3 H 1 2.972 0.020 . 2 . . . . 14 HIS HB3 . 25218 1 103 . 1 1 14 14 HIS CA C 13 56.489 0.400 . 1 . . . . 14 HIS CA . 25218 1 104 . 1 1 14 14 HIS CB C 13 30.697 0.400 . 1 . . . . 14 HIS CB . 25218 1 105 . 1 1 14 14 HIS N N 15 121.248 0.400 . 1 . . . . 14 HIS N . 25218 1 106 . 1 1 15 15 GLN H H 1 8.376 0.020 . 1 . . . . 15 GLN H . 25218 1 107 . 1 1 15 15 GLN HA H 1 4.150 0.020 . 1 . . . . 15 GLN HA . 25218 1 108 . 1 1 15 15 GLN HB2 H 1 1.861 0.020 . 2 . . . . 15 GLN HB2 . 25218 1 109 . 1 1 15 15 GLN HB3 H 1 1.950 0.020 . 2 . . . . 15 GLN HB3 . 25218 1 110 . 1 1 15 15 GLN HG2 H 1 2.215 0.020 . 2 . . . . 15 GLN HG2 . 25218 1 111 . 1 1 15 15 GLN HG3 H 1 2.215 0.020 . 2 . . . . 15 GLN HG3 . 25218 1 112 . 1 1 15 15 GLN CA C 13 55.883 0.400 . 1 . . . . 15 GLN CA . 25218 1 113 . 1 1 15 15 GLN CB C 13 29.386 0.400 . 1 . . . . 15 GLN CB . 25218 1 114 . 1 1 15 15 GLN N N 15 121.474 0.400 . 1 . . . . 15 GLN N . 25218 1 115 . 1 1 16 16 LYS H H 1 8.381 0.020 . 1 . . . . 16 LYS H . 25218 1 116 . 1 1 16 16 LYS HA H 1 4.157 0.020 . 1 . . . . 16 LYS HA . 25218 1 117 . 1 1 16 16 LYS HB2 H 1 1.653 0.020 . 2 . . . . 16 LYS HB2 . 25218 1 118 . 1 1 16 16 LYS HB3 H 1 1.690 0.020 . 2 . . . . 16 LYS HB3 . 25218 1 119 . 1 1 16 16 LYS HG2 H 1 1.277 0.020 . 2 . . . . 16 LYS HG2 . 25218 1 120 . 1 1 16 16 LYS HG3 H 1 1.340 0.020 . 2 . . . . 16 LYS HG3 . 25218 1 121 . 1 1 16 16 LYS CA C 13 56.177 0.400 . 1 . . . . 16 LYS CA . 25218 1 122 . 1 1 16 16 LYS CB C 13 32.691 0.400 . 1 . . . . 16 LYS CB . 25218 1 123 . 1 1 16 16 LYS N N 15 122.806 0.400 . 1 . . . . 16 LYS N . 25218 1 124 . 1 1 17 17 LEU H H 1 8.257 0.020 . 1 . . . . 17 LEU H . 25218 1 125 . 1 1 17 17 LEU HA H 1 4.215 0.020 . 1 . . . . 17 LEU HA . 25218 1 126 . 1 1 17 17 LEU HB2 H 1 1.496 0.020 . 2 . . . . 17 LEU HB2 . 25218 1 127 . 1 1 17 17 LEU HB3 H 1 1.496 0.020 . 2 . . . . 17 LEU HB3 . 25218 1 128 . 1 1 17 17 LEU HG H 1 1.338 0.020 . 1 . . . . 17 LEU HG . 25218 1 129 . 1 1 17 17 LEU HD11 H 1 0.811 0.020 . 2 . . . . 17 LEU HD11 . 25218 1 130 . 1 1 17 17 LEU HD12 H 1 0.811 0.020 . 2 . . . . 17 LEU HD12 . 25218 1 131 . 1 1 17 17 LEU HD13 H 1 0.811 0.020 . 2 . . . . 17 LEU HD13 . 25218 1 132 . 1 1 17 17 LEU HD21 H 1 0.744 0.020 . 2 . . . . 17 LEU HD21 . 25218 1 133 . 1 1 17 17 LEU HD22 H 1 0.744 0.020 . 2 . . . . 17 LEU HD22 . 25218 1 134 . 1 1 17 17 LEU HD23 H 1 0.744 0.020 . 2 . . . . 17 LEU HD23 . 25218 1 135 . 1 1 17 17 LEU CA C 13 55.129 0.400 . 1 . . . . 17 LEU CA . 25218 1 136 . 1 1 17 17 LEU CB C 13 42.348 0.400 . 1 . . . . 17 LEU CB . 25218 1 137 . 1 1 17 17 LEU N N 15 123.881 0.400 . 1 . . . . 17 LEU N . 25218 1 138 . 1 1 18 18 VAL H H 1 8.002 0.020 . 1 . . . . 18 VAL H . 25218 1 139 . 1 1 18 18 VAL HA H 1 3.920 0.020 . 1 . . . . 18 VAL HA . 25218 1 140 . 1 1 18 18 VAL HB H 1 1.795 0.020 . 1 . . . . 18 VAL HB . 25218 1 141 . 1 1 18 18 VAL HG11 H 1 0.643 0.020 . 2 . . . . 18 VAL HG11 . 25218 1 142 . 1 1 18 18 VAL HG12 H 1 0.643 0.020 . 2 . . . . 18 VAL HG12 . 25218 1 143 . 1 1 18 18 VAL HG13 H 1 0.643 0.020 . 2 . . . . 18 VAL HG13 . 25218 1 144 . 1 1 18 18 VAL HG21 H 1 0.734 0.020 . 2 . . . . 18 VAL HG21 . 25218 1 145 . 1 1 18 18 VAL HG22 H 1 0.734 0.020 . 2 . . . . 18 VAL HG22 . 25218 1 146 . 1 1 18 18 VAL HG23 H 1 0.734 0.020 . 2 . . . . 18 VAL HG23 . 25218 1 147 . 1 1 18 18 VAL CA C 13 61.860 0.400 . 1 . . . . 18 VAL CA . 25218 1 148 . 1 1 18 18 VAL CB C 13 33.008 0.400 . 1 . . . . 18 VAL CB . 25218 1 149 . 1 1 18 18 VAL N N 15 121.466 0.400 . 1 . . . . 18 VAL N . 25218 1 150 . 1 1 19 19 PHE H H 1 8.266 0.020 . 1 . . . . 19 PHE H . 25218 1 151 . 1 1 19 19 PHE HA H 1 4.471 0.020 . 1 . . . . 19 PHE HA . 25218 1 152 . 1 1 19 19 PHE HB2 H 1 2.874 0.020 . 2 . . . . 19 PHE HB2 . 25218 1 153 . 1 1 19 19 PHE HB3 H 1 2.817 0.020 . 2 . . . . 19 PHE HB3 . 25218 1 154 . 1 1 19 19 PHE CA C 13 57.284 0.400 . 1 . . . . 19 PHE CA . 25218 1 155 . 1 1 19 19 PHE CB C 13 40.024 0.400 . 1 . . . . 19 PHE CB . 25218 1 156 . 1 1 19 19 PHE N N 15 124.337 0.400 . 1 . . . . 19 PHE N . 25218 1 157 . 1 1 20 20 PHE H H 1 8.240 0.020 . 1 . . . . 20 PHE H . 25218 1 158 . 1 1 20 20 PHE HA H 1 4.467 0.020 . 1 . . . . 20 PHE HA . 25218 1 159 . 1 1 20 20 PHE HB2 H 1 2.969 0.020 . 2 . . . . 20 PHE HB2 . 25218 1 160 . 1 1 20 20 PHE HB3 H 1 2.822 0.020 . 2 . . . . 20 PHE HB3 . 25218 1 161 . 1 1 20 20 PHE CA C 13 57.240 0.400 . 1 . . . . 20 PHE CA . 25218 1 162 . 1 1 20 20 PHE CB C 13 40.030 0.400 . 1 . . . . 20 PHE CB . 25218 1 163 . 1 1 20 20 PHE N N 15 122.962 0.400 . 1 . . . . 20 PHE N . 25218 1 164 . 1 1 21 21 ALA H H 1 8.250 0.020 . 1 . . . . 21 ALA H . 25218 1 165 . 1 1 21 21 ALA HA H 1 4.114 0.020 . 1 . . . . 21 ALA HA . 25218 1 166 . 1 1 21 21 ALA HB1 H 1 1.262 0.020 . 1 . . . . 21 ALA HB1 . 25218 1 167 . 1 1 21 21 ALA HB2 H 1 1.262 0.020 . 1 . . . . 21 ALA HB2 . 25218 1 168 . 1 1 21 21 ALA HB3 H 1 1.262 0.020 . 1 . . . . 21 ALA HB3 . 25218 1 169 . 1 1 21 21 ALA CA C 13 52.257 0.400 . 1 . . . . 21 ALA CA . 25218 1 170 . 1 1 21 21 ALA CB C 13 19.266 0.400 . 1 . . . . 21 ALA CB . 25218 1 171 . 1 1 21 21 ALA N N 15 126.210 0.400 . 1 . . . . 21 ALA N . 25218 1 172 . 1 1 22 22 GLU H H 1 8.365 0.020 . 1 . . . . 22 GLU H . 25218 1 173 . 1 1 22 22 GLU HA H 1 4.090 0.020 . 1 . . . . 22 GLU HA . 25218 1 174 . 1 1 22 22 GLU HB2 H 1 1.931 0.020 . 2 . . . . 22 GLU HB2 . 25218 1 175 . 1 1 22 22 GLU HB3 H 1 1.814 0.020 . 2 . . . . 22 GLU HB3 . 25218 1 176 . 1 1 22 22 GLU HG2 H 1 2.167 0.020 . 2 . . . . 22 GLU HG2 . 25218 1 177 . 1 1 22 22 GLU HG3 H 1 2.167 0.020 . 2 . . . . 22 GLU HG3 . 25218 1 178 . 1 1 22 22 GLU CA C 13 56.482 0.400 . 1 . . . . 22 GLU CA . 25218 1 179 . 1 1 22 22 GLU CB C 13 30.240 0.400 . 1 . . . . 22 GLU CB . 25218 1 180 . 1 1 22 22 GLU N N 15 119.907 0.400 . 1 . . . . 22 GLU N . 25218 1 181 . 1 1 23 23 ASP H H 1 8.430 0.020 . 1 . . . . 23 ASP H . 25218 1 182 . 1 1 23 23 ASP HA H 1 4.534 0.020 . 1 . . . . 23 ASP HA . 25218 1 183 . 1 1 23 23 ASP HB2 H 1 2.533 0.020 . 2 . . . . 23 ASP HB2 . 25218 1 184 . 1 1 23 23 ASP HB3 H 1 2.641 0.020 . 2 . . . . 23 ASP HB3 . 25218 1 185 . 1 1 23 23 ASP CA C 13 54.008 0.400 . 1 . . . . 23 ASP CA . 25218 1 186 . 1 1 23 23 ASP CB C 13 40.949 0.400 . 1 . . . . 23 ASP CB . 25218 1 187 . 1 1 23 23 ASP N N 15 121.769 0.400 . 1 . . . . 23 ASP N . 25218 1 188 . 1 1 24 24 VAL H H 1 8.168 0.020 . 1 . . . . 24 VAL H . 25218 1 189 . 1 1 24 24 VAL HA H 1 4.027 0.020 . 1 . . . . 24 VAL HA . 25218 1 190 . 1 1 24 24 VAL HB H 1 2.084 0.020 . 1 . . . . 24 VAL HB . 25218 1 191 . 1 1 24 24 VAL HG11 H 1 0.850 0.020 . 2 . . . . 24 VAL HG1 . 25218 1 192 . 1 1 24 24 VAL HG12 H 1 0.850 0.020 . 2 . . . . 24 VAL HG1 . 25218 1 193 . 1 1 24 24 VAL HG13 H 1 0.850 0.020 . 2 . . . . 24 VAL HG1 . 25218 1 194 . 1 1 24 24 VAL HG21 H 1 0.850 0.020 . 2 . . . . 24 VAL HG2 . 25218 1 195 . 1 1 24 24 VAL HG22 H 1 0.850 0.020 . 2 . . . . 24 VAL HG2 . 25218 1 196 . 1 1 24 24 VAL HG23 H 1 0.850 0.020 . 2 . . . . 24 VAL HG2 . 25218 1 197 . 1 1 24 24 VAL CA C 13 62.644 0.400 . 1 . . . . 24 VAL CA . 25218 1 198 . 1 1 24 24 VAL CB C 13 32.069 0.400 . 1 . . . . 24 VAL CB . 25218 1 199 . 1 1 24 24 VAL N N 15 120.648 0.400 . 1 . . . . 24 VAL N . 25218 1 200 . 1 1 25 25 GLY H H 1 8.555 0.020 . 1 . . . . 25 GLY H . 25218 1 201 . 1 1 25 25 GLY HA2 H 1 3.866 0.020 . 2 . . . . 25 GLY HA2 . 25218 1 202 . 1 1 25 25 GLY HA3 H 1 3.866 0.020 . 2 . . . . 25 GLY HA3 . 25218 1 203 . 1 1 25 25 GLY CA C 13 45.241 0.400 . 1 . . . . 25 GLY CA . 25218 1 204 . 1 1 25 25 GLY N N 15 111.702 0.400 . 1 . . . . 25 GLY N . 25218 1 205 . 1 1 26 26 SER H H 1 8.148 0.020 . 1 . . . . 26 SER H . 25218 1 206 . 1 1 26 26 SER HA H 1 4.312 0.020 . 1 . . . . 26 SER HA . 25218 1 207 . 1 1 26 26 SER HB2 H 1 3.786 0.020 . 2 . . . . 26 SER HB2 . 25218 1 208 . 1 1 26 26 SER HB3 H 1 3.786 0.020 . 2 . . . . 26 SER HB3 . 25218 1 209 . 1 1 26 26 SER CA C 13 58.441 0.400 . 1 . . . . 26 SER CA . 25218 1 210 . 1 1 26 26 SER CB C 13 63.557 0.400 . 1 . . . . 26 SER CB . 25218 1 211 . 1 1 26 26 SER N N 15 115.416 0.400 . 1 . . . . 26 SER N . 25218 1 212 . 1 1 27 27 ASN H H 1 8.481 0.020 . 1 . . . . 27 ASN H . 25218 1 213 . 1 1 27 27 ASN HA H 1 4.308 0.020 . 1 . . . . 27 ASN HA . 25218 1 214 . 1 1 27 27 ASN HB2 H 1 2.764 0.020 . 2 . . . . 27 ASN HB2 . 25218 1 215 . 1 1 27 27 ASN HB3 H 1 2.705 0.020 . 2 . . . . 27 ASN HB3 . 25218 1 216 . 1 1 27 27 ASN CA C 13 53.166 0.400 . 1 . . . . 27 ASN CA . 25218 1 217 . 1 1 27 27 ASN CB C 13 38.418 0.400 . 1 . . . . 27 ASN CB . 25218 1 218 . 1 1 27 27 ASN N N 15 120.661 0.400 . 1 . . . . 27 ASN N . 25218 1 219 . 1 1 28 28 LYS H H 1 8.360 0.020 . 1 . . . . 28 LYS H . 25218 1 220 . 1 1 28 28 LYS HA H 1 4.161 0.020 . 1 . . . . 28 LYS HA . 25218 1 221 . 1 1 28 28 LYS HB2 H 1 1.779 0.020 . 2 . . . . 28 LYS HB2 . 25218 1 222 . 1 1 28 28 LYS HB3 H 1 1.669 0.020 . 2 . . . . 28 LYS HB3 . 25218 1 223 . 1 1 28 28 LYS HG2 H 1 1.334 0.020 . 2 . . . . 28 LYS HG2 . 25218 1 224 . 1 1 28 28 LYS HG3 H 1 1.334 0.020 . 2 . . . . 28 LYS HG3 . 25218 1 225 . 1 1 28 28 LYS HD2 H 1 1.311 0.020 . 2 . . . . 28 LYS HD2 . 25218 1 226 . 1 1 28 28 LYS HD3 H 1 1.311 0.020 . 2 . . . . 28 LYS HD3 . 25218 1 227 . 1 1 28 28 LYS CA C 13 56.456 0.400 . 1 . . . . 28 LYS CA . 25218 1 228 . 1 1 28 28 LYS CB C 13 32.523 0.400 . 1 . . . . 28 LYS CB . 25218 1 229 . 1 1 28 28 LYS N N 15 121.692 0.400 . 1 . . . . 28 LYS N . 25218 1 230 . 1 1 29 29 GLY H H 1 8.424 0.020 . 1 . . . . 29 GLY H . 25218 1 231 . 1 1 29 29 GLY HA2 H 1 3.819 0.020 . 2 . . . . 29 GLY HA2 . 25218 1 232 . 1 1 29 29 GLY HA3 H 1 3.819 0.020 . 2 . . . . 29 GLY HA3 . 25218 1 233 . 1 1 29 29 GLY CA C 13 45.034 0.400 . 1 . . . . 29 GLY CA . 25218 1 234 . 1 1 29 29 GLY N N 15 109.500 0.400 . 1 . . . . 29 GLY N . 25218 1 235 . 1 1 30 30 ALA H H 1 8.031 0.020 . 1 . . . . 30 ALA H . 25218 1 236 . 1 1 30 30 ALA HA H 1 4.194 0.020 . 1 . . . . 30 ALA HA . 25218 1 237 . 1 1 30 30 ALA HB1 H 1 1.262 0.020 . 1 . . . . 30 ALA HB1 . 25218 1 238 . 1 1 30 30 ALA HB2 H 1 1.262 0.020 . 1 . . . . 30 ALA HB2 . 25218 1 239 . 1 1 30 30 ALA HB3 H 1 1.262 0.020 . 1 . . . . 30 ALA HB3 . 25218 1 240 . 1 1 30 30 ALA CA C 13 52.379 0.400 . 1 . . . . 30 ALA CA . 25218 1 241 . 1 1 30 30 ALA CB C 13 19.339 0.400 . 1 . . . . 30 ALA CB . 25218 1 242 . 1 1 30 30 ALA N N 15 123.448 0.400 . 1 . . . . 30 ALA N . 25218 1 243 . 1 1 31 31 ILE H H 1 8.183 0.020 . 1 . . . . 31 ILE H . 25218 1 244 . 1 1 31 31 ILE HA H 1 4.045 0.020 . 1 . . . . 31 ILE HA . 25218 1 245 . 1 1 31 31 ILE HB H 1 1.756 0.020 . 1 . . . . 31 ILE HB . 25218 1 246 . 1 1 31 31 ILE HG12 H 1 1.400 0.020 . 2 . . . . 31 ILE HG12 . 25218 1 247 . 1 1 31 31 ILE HG13 H 1 1.095 0.020 . 2 . . . . 31 ILE HG13 . 25218 1 248 . 1 1 31 31 ILE HG21 H 1 0.814 0.020 . 1 . . . . 31 ILE HG21 . 25218 1 249 . 1 1 31 31 ILE HG22 H 1 0.814 0.020 . 1 . . . . 31 ILE HG22 . 25218 1 250 . 1 1 31 31 ILE HG23 H 1 0.814 0.020 . 1 . . . . 31 ILE HG23 . 25218 1 251 . 1 1 31 31 ILE HD11 H 1 0.771 0.020 . 1 . . . . 31 ILE HD11 . 25218 1 252 . 1 1 31 31 ILE HD12 H 1 0.771 0.020 . 1 . . . . 31 ILE HD12 . 25218 1 253 . 1 1 31 31 ILE HD13 H 1 0.771 0.020 . 1 . . . . 31 ILE HD13 . 25218 1 254 . 1 1 31 31 ILE CA C 13 60.988 0.400 . 1 . . . . 31 ILE CA . 25218 1 255 . 1 1 31 31 ILE CB C 13 38.310 0.400 . 1 . . . . 31 ILE CB . 25218 1 256 . 1 1 31 31 ILE N N 15 120.685 0.400 . 1 . . . . 31 ILE N . 25218 1 257 . 1 1 32 32 ILE H H 1 8.331 0.020 . 1 . . . . 32 ILE H . 25218 1 258 . 1 1 32 32 ILE HA H 1 4.045 0.020 . 1 . . . . 32 ILE HA . 25218 1 259 . 1 1 32 32 ILE HB H 1 1.756 0.020 . 1 . . . . 32 ILE HB . 25218 1 260 . 1 1 32 32 ILE HG12 H 1 1.395 0.020 . 2 . . . . 32 ILE HG12 . 25218 1 261 . 1 1 32 32 ILE HG13 H 1 1.395 0.020 . 2 . . . . 32 ILE HG13 . 25218 1 262 . 1 1 32 32 ILE HG21 H 1 1.102 0.020 . 1 . . . . 32 ILE HG21 . 25218 1 263 . 1 1 32 32 ILE HG22 H 1 1.102 0.020 . 1 . . . . 32 ILE HG22 . 25218 1 264 . 1 1 32 32 ILE HG23 H 1 1.102 0.020 . 1 . . . . 32 ILE HG23 . 25218 1 265 . 1 1 32 32 ILE HD11 H 1 0.772 0.020 . 1 . . . . 32 ILE HD11 . 25218 1 266 . 1 1 32 32 ILE HD12 H 1 0.772 0.020 . 1 . . . . 32 ILE HD12 . 25218 1 267 . 1 1 32 32 ILE HD13 H 1 0.772 0.020 . 1 . . . . 32 ILE HD13 . 25218 1 268 . 1 1 32 32 ILE CA C 13 61.005 0.400 . 1 . . . . 32 ILE CA . 25218 1 269 . 1 1 32 32 ILE CB C 13 38.319 0.400 . 1 . . . . 32 ILE CB . 25218 1 270 . 1 1 32 32 ILE N N 15 126.300 0.400 . 1 . . . . 32 ILE N . 25218 1 271 . 1 1 33 33 GLY H H 1 8.488 0.020 . 1 . . . . 33 GLY H . 25218 1 272 . 1 1 33 33 GLY HA2 H 1 3.824 0.020 . 2 . . . . 33 GLY HA2 . 25218 1 273 . 1 1 33 33 GLY HA3 H 1 3.824 0.020 . 2 . . . . 33 GLY HA3 . 25218 1 274 . 1 1 33 33 GLY CA C 13 45.022 0.400 . 1 . . . . 33 GLY CA . 25218 1 275 . 1 1 33 33 GLY N N 15 113.019 0.400 . 1 . . . . 33 GLY N . 25218 1 276 . 1 1 34 34 LEU H H 1 8.062 0.020 . 1 . . . . 34 LEU H . 25218 1 277 . 1 1 34 34 LEU HA H 1 4.244 0.020 . 1 . . . . 34 LEU HA . 25218 1 278 . 1 1 34 34 LEU HB2 H 1 1.503 0.020 . 2 . . . . 34 LEU HB2 . 25218 1 279 . 1 1 34 34 LEU HB3 H 1 1.492 0.020 . 2 . . . . 34 LEU HB3 . 25218 1 280 . 1 1 34 34 LEU HD11 H 1 0.816 0.020 . 2 . . . . 34 LEU HD11 . 25218 1 281 . 1 1 34 34 LEU HD12 H 1 0.816 0.020 . 2 . . . . 34 LEU HD12 . 25218 1 282 . 1 1 34 34 LEU HD13 H 1 0.816 0.020 . 2 . . . . 34 LEU HD13 . 25218 1 283 . 1 1 34 34 LEU HD21 H 1 0.761 0.020 . 2 . . . . 34 LEU HD21 . 25218 1 284 . 1 1 34 34 LEU HD22 H 1 0.761 0.020 . 2 . . . . 34 LEU HD22 . 25218 1 285 . 1 1 34 34 LEU HD23 H 1 0.761 0.020 . 2 . . . . 34 LEU HD23 . 25218 1 286 . 1 1 34 34 LEU CA C 13 54.906 0.400 . 1 . . . . 34 LEU CA . 25218 1 287 . 1 1 34 34 LEU CB C 13 42.510 0.400 . 1 . . . . 34 LEU CB . 25218 1 288 . 1 1 34 34 LEU N N 15 121.624 0.400 . 1 . . . . 34 LEU N . 25218 1 289 . 1 1 35 35 MET H H 1 8.434 0.020 . 1 . . . . 35 MET H . 25218 1 290 . 1 1 35 35 MET HA H 1 4.522 0.020 . 1 . . . . 35 MET HA . 25218 1 291 . 1 1 35 35 MET HB2 H 1 1.900 0.020 . 2 . . . . 35 MET HB2 . 25218 1 292 . 1 1 35 35 MET HB3 H 1 1.900 0.020 . 2 . . . . 35 MET HB3 . 25218 1 293 . 1 1 35 35 MET HG2 H 1 2.351 0.020 . 2 . . . . 35 MET HG2 . 25218 1 294 . 1 1 35 35 MET HG3 H 1 2.443 0.020 . 2 . . . . 35 MET HG3 . 25218 1 295 . 1 1 35 35 MET CA C 13 54.987 0.400 . 1 . . . . 35 MET CA . 25218 1 296 . 1 1 35 35 MET CB C 13 33.026 0.400 . 1 . . . . 35 MET CB . 25218 1 297 . 1 1 35 35 MET N N 15 121.961 0.400 . 1 . . . . 35 MET N . 25218 1 298 . 1 1 36 36 VAL H H 1 8.340 0.020 . 1 . . . . 36 VAL H . 25218 1 299 . 1 1 36 36 VAL HA H 1 4.028 0.020 . 1 . . . . 36 VAL HA . 25218 1 300 . 1 1 36 36 VAL HB H 1 1.936 0.020 . 1 . . . . 36 VAL HB . 25218 1 301 . 1 1 36 36 VAL HG11 H 1 0.837 0.020 . 2 . . . . 36 VAL HG1 . 25218 1 302 . 1 1 36 36 VAL HG12 H 1 0.837 0.020 . 2 . . . . 36 VAL HG1 . 25218 1 303 . 1 1 36 36 VAL HG13 H 1 0.837 0.020 . 2 . . . . 36 VAL HG1 . 25218 1 304 . 1 1 36 36 VAL HG21 H 1 0.837 0.020 . 2 . . . . 36 VAL HG2 . 25218 1 305 . 1 1 36 36 VAL HG22 H 1 0.837 0.020 . 2 . . . . 36 VAL HG2 . 25218 1 306 . 1 1 36 36 VAL HG23 H 1 0.837 0.020 . 2 . . . . 36 VAL HG2 . 25218 1 307 . 1 1 36 36 VAL CA C 13 62.497 0.400 . 1 . . . . 36 VAL CA . 25218 1 308 . 1 1 36 36 VAL CB C 13 33.022 0.400 . 1 . . . . 36 VAL CB . 25218 1 309 . 1 1 36 36 VAL N N 15 122.813 0.400 . 1 . . . . 36 VAL N . 25218 1 310 . 1 1 37 37 GLY H H 1 8.758 0.020 . 1 . . . . 37 GLY H . 25218 1 311 . 1 1 37 37 GLY HA2 H 1 3.856 0.020 . 2 . . . . 37 GLY HA2 . 25218 1 312 . 1 1 37 37 GLY HA3 H 1 3.856 0.020 . 2 . . . . 37 GLY HA3 . 25218 1 313 . 1 1 37 37 GLY CA C 13 45.249 0.400 . 1 . . . . 37 GLY CA . 25218 1 314 . 1 1 37 37 GLY N N 15 114.223 0.400 . 1 . . . . 37 GLY N . 25218 1 315 . 1 1 38 38 GLY H H 1 8.326 0.020 . 1 . . . . 38 GLY H . 25218 1 316 . 1 1 38 38 GLY HA2 H 1 3.850 0.020 . 2 . . . . 38 GLY HA2 . 25218 1 317 . 1 1 38 38 GLY HA3 H 1 3.850 0.020 . 2 . . . . 38 GLY HA3 . 25218 1 318 . 1 1 38 38 GLY CA C 13 45.077 0.400 . 1 . . . . 38 GLY CA . 25218 1 319 . 1 1 38 38 GLY N N 15 107.850 0.400 . 1 . . . . 38 GLY N . 25218 1 320 . 1 1 39 39 VAL H H 1 7.923 0.020 . 1 . . . . 39 VAL H . 25218 1 321 . 1 1 39 39 VAL HA H 1 4.054 0.020 . 1 . . . . 39 VAL HA . 25218 1 322 . 1 1 39 39 VAL HB H 1 1.933 0.020 . 1 . . . . 39 VAL HB . 25218 1 323 . 1 1 39 39 VAL HG11 H 1 0.818 0.020 . 2 . . . . 39 VAL HG1 . 25218 1 324 . 1 1 39 39 VAL HG12 H 1 0.818 0.020 . 2 . . . . 39 VAL HG1 . 25218 1 325 . 1 1 39 39 VAL HG13 H 1 0.818 0.020 . 2 . . . . 39 VAL HG1 . 25218 1 326 . 1 1 39 39 VAL HG21 H 1 0.818 0.020 . 2 . . . . 39 VAL HG2 . 25218 1 327 . 1 1 39 39 VAL HG22 H 1 0.818 0.020 . 2 . . . . 39 VAL HG2 . 25218 1 328 . 1 1 39 39 VAL HG23 H 1 0.818 0.020 . 2 . . . . 39 VAL HG2 . 25218 1 329 . 1 1 39 39 VAL CA C 13 61.855 0.400 . 1 . . . . 39 VAL CA . 25218 1 330 . 1 1 39 39 VAL CB C 13 33.112 0.400 . 1 . . . . 39 VAL CB . 25218 1 331 . 1 1 39 39 VAL N N 15 119.768 0.400 . 1 . . . . 39 VAL N . 25218 1 332 . 1 1 40 40 VAL H H 1 8.416 0.020 . 1 . . . . 40 VAL H . 25218 1 333 . 1 1 40 40 VAL HA H 1 4.042 0.020 . 1 . . . . 40 VAL HA . 25218 1 334 . 1 1 40 40 VAL HB H 1 1.888 0.020 . 1 . . . . 40 VAL HB . 25218 1 335 . 1 1 40 40 VAL HG11 H 1 0.824 0.020 . 2 . . . . 40 VAL HG1 . 25218 1 336 . 1 1 40 40 VAL HG12 H 1 0.824 0.020 . 2 . . . . 40 VAL HG1 . 25218 1 337 . 1 1 40 40 VAL HG13 H 1 0.824 0.020 . 2 . . . . 40 VAL HG1 . 25218 1 338 . 1 1 40 40 VAL HG21 H 1 0.824 0.020 . 2 . . . . 40 VAL HG2 . 25218 1 339 . 1 1 40 40 VAL HG22 H 1 0.824 0.020 . 2 . . . . 40 VAL HG2 . 25218 1 340 . 1 1 40 40 VAL HG23 H 1 0.824 0.020 . 2 . . . . 40 VAL HG2 . 25218 1 341 . 1 1 40 40 VAL CA C 13 62.473 0.400 . 1 . . . . 40 VAL CA . 25218 1 342 . 1 1 40 40 VAL CB C 13 32.512 0.400 . 1 . . . . 40 VAL CB . 25218 1 343 . 1 1 40 40 VAL N N 15 126.149 0.400 . 1 . . . . 40 VAL N . 25218 1 344 . 1 1 41 41 ILE H H 1 8.462 0.020 . 1 . . . . 41 ILE H . 25218 1 345 . 1 1 41 41 ILE HA H 1 4.023 0.020 . 1 . . . . 41 ILE HA . 25218 1 346 . 1 1 41 41 ILE HB H 1 1.777 0.020 . 1 . . . . 41 ILE HB . 25218 1 347 . 1 1 41 41 ILE HG12 H 1 1.385 0.020 . 2 . . . . 41 ILE HG12 . 25218 1 348 . 1 1 41 41 ILE HG13 H 1 1.100 0.020 . 2 . . . . 41 ILE HG13 . 25218 1 349 . 1 1 41 41 ILE HD11 H 1 0.782 0.020 . 1 . . . . 41 ILE HD11 . 25218 1 350 . 1 1 41 41 ILE HD12 H 1 0.782 0.020 . 1 . . . . 41 ILE HD12 . 25218 1 351 . 1 1 41 41 ILE HD13 H 1 0.782 0.020 . 1 . . . . 41 ILE HD13 . 25218 1 352 . 1 1 41 41 ILE CA C 13 60.700 0.400 . 1 . . . . 41 ILE CA . 25218 1 353 . 1 1 41 41 ILE CB C 13 38.287 0.400 . 1 . . . . 41 ILE CB . 25218 1 354 . 1 1 41 41 ILE N N 15 127.666 0.400 . 1 . . . . 41 ILE N . 25218 1 355 . 1 1 42 42 ALA H H 1 8.045 0.020 . 1 . . . . 42 ALA H . 25218 1 356 . 1 1 42 42 ALA HA H 1 4.037 0.020 . 1 . . . . 42 ALA HA . 25218 1 357 . 1 1 42 42 ALA HB1 H 1 1.231 0.020 . 1 . . . . 42 ALA HB1 . 25218 1 358 . 1 1 42 42 ALA HB2 H 1 1.231 0.020 . 1 . . . . 42 ALA HB2 . 25218 1 359 . 1 1 42 42 ALA HB3 H 1 1.231 0.020 . 1 . . . . 42 ALA HB3 . 25218 1 360 . 1 1 42 42 ALA CA C 13 53.735 0.400 . 1 . . . . 42 ALA CA . 25218 1 361 . 1 1 42 42 ALA CB C 13 20.211 0.400 . 1 . . . . 42 ALA CB . 25218 1 362 . 1 1 42 42 ALA N N 15 134.150 0.400 . 1 . . . . 42 ALA N . 25218 1 stop_ save_