################################### # 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 15374 _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 NOESY' . . . 15374 1 2 '2D 1H-1H TOCSY' . . . 15374 1 3 '2D 1H-15N HSQC' . . . 15374 1 4 '3D 1H-15N NOESY' . . . 15374 1 5 '3D 1H-15N TOCSY' . . . 15374 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 2 $SPARKY . . 15374 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 MET HB2 H 1 2.367 0.02 . 2 . . . . 1 MET HB2 . 15374 1 2 . 1 1 1 1 MET HB3 H 1 2.367 0.02 . 2 . . . . 1 MET HB3 . 15374 1 3 . 1 1 1 1 MET HG2 H 1 2.093 0.02 . 2 . . . . 1 MET HG2 . 15374 1 4 . 1 1 1 1 MET HG3 H 1 2.093 0.02 . 2 . . . . 1 MET HG3 . 15374 1 5 . 1 1 2 2 LYS HA H 1 4.325 0.02 . 1 . . . . 2 LYS HA . 15374 1 6 . 1 1 2 2 LYS HB2 H 1 1.813 0.02 . 2 . . . . 2 LYS HB2 . 15374 1 7 . 1 1 2 2 LYS HB3 H 1 1.813 0.02 . 2 . . . . 2 LYS HB3 . 15374 1 8 . 1 1 2 2 LYS HD2 H 1 1.514 0.02 . 2 . . . . 2 LYS HD2 . 15374 1 9 . 1 1 2 2 LYS HD3 H 1 1.514 0.02 . 2 . . . . 2 LYS HD3 . 15374 1 10 . 1 1 2 2 LYS HG2 H 1 1.409 0.02 . 2 . . . . 2 LYS HG2 . 15374 1 11 . 1 1 2 2 LYS HG3 H 1 1.409 0.02 . 2 . . . . 2 LYS HG3 . 15374 1 12 . 1 1 3 3 LYS H H 1 8.325 0.02 . 1 . . . . 3 LYS HN . 15374 1 13 . 1 1 3 3 LYS HA H 1 4.881 0.02 . 1 . . . . 3 LYS HA . 15374 1 14 . 1 1 3 3 LYS HB2 H 1 1.641 0.02 . 2 . . . . 3 LYS HB2 . 15374 1 15 . 1 1 3 3 LYS HB3 H 1 1.641 0.02 . 2 . . . . 3 LYS HB3 . 15374 1 16 . 1 1 3 3 LYS HD2 H 1 1.377 0.02 . 2 . . . . 3 LYS HD2 . 15374 1 17 . 1 1 3 3 LYS HD3 H 1 1.377 0.02 . 2 . . . . 3 LYS HD3 . 15374 1 18 . 1 1 3 3 LYS HE2 H 1 2.799 0.02 . 2 . . . . 3 LYS HE2 . 15374 1 19 . 1 1 3 3 LYS HE3 H 1 2.799 0.02 . 2 . . . . 3 LYS HE3 . 15374 1 20 . 1 1 3 3 LYS HG2 H 1 1.579 0.02 . 2 . . . . 3 LYS HG2 . 15374 1 21 . 1 1 3 3 LYS HG3 H 1 1.579 0.02 . 2 . . . . 3 LYS HG3 . 15374 1 22 . 1 1 3 3 LYS N N 15 121.705 0.1 . 1 . . . . 3 LYS N . 15374 1 23 . 1 1 4 4 TYR H H 1 8.556 0.02 . 1 . . . . 4 TYR HN . 15374 1 24 . 1 1 4 4 TYR HA H 1 4.931 0.02 . 1 . . . . 4 TYR HA . 15374 1 25 . 1 1 4 4 TYR HB2 H 1 2.509 0.02 . 2 . . . . 4 TYR HB2 . 15374 1 26 . 1 1 4 4 TYR HB3 H 1 2.417 0.02 . 2 . . . . 4 TYR HB3 . 15374 1 27 . 1 1 4 4 TYR HD1 H 1 6.422 0.02 . 1 . . . . 4 TYR HD1 . 15374 1 28 . 1 1 4 4 TYR HD2 H 1 6.422 0.02 . 1 . . . . 4 TYR HD2 . 15374 1 29 . 1 1 4 4 TYR HE1 H 1 6.507 0.02 . 1 . . . . 4 TYR HE1 . 15374 1 30 . 1 1 4 4 TYR HE2 H 1 6.507 0.02 . 1 . . . . 4 TYR HE2 . 15374 1 31 . 1 1 4 4 TYR N N 15 120.748 0.1 . 1 . . . . 4 TYR N . 15374 1 32 . 1 1 5 5 VAL H H 1 9.498 0.02 . 1 . . . . 5 VAL HN . 15374 1 33 . 1 1 5 5 VAL HA H 1 5.132 0.02 . 1 . . . . 5 VAL HA . 15374 1 34 . 1 1 5 5 VAL HB H 1 1.816 0.02 . 1 . . . . 5 VAL HB . 15374 1 35 . 1 1 5 5 VAL HG11 H 1 0.790 0.02 . 2 . . . . 5 VAL QG1 . 15374 1 36 . 1 1 5 5 VAL HG12 H 1 0.790 0.02 . 2 . . . . 5 VAL QG1 . 15374 1 37 . 1 1 5 5 VAL HG13 H 1 0.790 0.02 . 2 . . . . 5 VAL QG1 . 15374 1 38 . 1 1 5 5 VAL HG21 H 1 0.790 0.02 . 2 . . . . 5 VAL QG2 . 15374 1 39 . 1 1 5 5 VAL HG22 H 1 0.790 0.02 . 2 . . . . 5 VAL QG2 . 15374 1 40 . 1 1 5 5 VAL HG23 H 1 0.790 0.02 . 2 . . . . 5 VAL QG2 . 15374 1 41 . 1 1 5 5 VAL N N 15 120.677 0.1 . 1 . . . . 5 VAL N . 15374 1 42 . 1 1 6 6 CYS H H 1 9.438 0.02 . 1 . . . . 6 CYS HN . 15374 1 43 . 1 1 6 6 CYS HA H 1 2.742 0.02 . 1 . . . . 6 CYS HA . 15374 1 44 . 1 1 6 6 CYS HB2 H 1 2.628 0.02 . 2 . . . . 6 CYS HB2 . 15374 1 45 . 1 1 6 6 CYS HB3 H 1 3.061 0.02 . 2 . . . . 6 CYS HB3 . 15374 1 46 . 1 1 6 6 CYS N N 15 131.360 0.1 . 1 . . . . 6 CYS N . 15374 1 47 . 1 1 7 7 THR H H 1 8.289 0.02 . 1 . . . . 7 THR HN . 15374 1 48 . 1 1 7 7 THR HA H 1 4.365 0.02 . 1 . . . . 7 THR HA . 15374 1 49 . 1 1 7 7 THR HB H 1 4.057 0.02 . 1 . . . . 7 THR HB . 15374 1 50 . 1 1 7 7 THR HG21 H 1 1.332 0.02 . 1 . . . . 7 THR QG2 . 15374 1 51 . 1 1 7 7 THR HG22 H 1 1.332 0.02 . 1 . . . . 7 THR QG2 . 15374 1 52 . 1 1 7 7 THR HG23 H 1 1.332 0.02 . 1 . . . . 7 THR QG2 . 15374 1 53 . 1 1 7 7 THR N N 15 122.494 0.1 . 1 . . . . 7 THR N . 15374 1 54 . 1 1 8 8 VAL H H 1 9.102 0.02 . 1 . . . . 8 VAL HN . 15374 1 55 . 1 1 8 8 VAL HA H 1 3.934 0.02 . 1 . . . . 8 VAL HA . 15374 1 56 . 1 1 8 8 VAL HB H 1 2.529 0.02 . 1 . . . . 8 VAL HB . 15374 1 57 . 1 1 8 8 VAL HG11 H 1 0.856 0.02 . 2 . . . . 8 VAL QG1 . 15374 1 58 . 1 1 8 8 VAL HG12 H 1 0.856 0.02 . 2 . . . . 8 VAL QG1 . 15374 1 59 . 1 1 8 8 VAL HG13 H 1 0.856 0.02 . 2 . . . . 8 VAL QG1 . 15374 1 60 . 1 1 8 8 VAL HG21 H 1 0.856 0.02 . 2 . . . . 8 VAL QG2 . 15374 1 61 . 1 1 8 8 VAL HG22 H 1 0.856 0.02 . 2 . . . . 8 VAL QG2 . 15374 1 62 . 1 1 8 8 VAL HG23 H 1 0.856 0.02 . 2 . . . . 8 VAL QG2 . 15374 1 63 . 1 1 8 8 VAL N N 15 126.451 0.1 . 1 . . . . 8 VAL N . 15374 1 64 . 1 1 9 9 CYS H H 1 9.195 0.02 . 1 . . . . 9 CYS HN . 15374 1 65 . 1 1 9 9 CYS HA H 1 4.980 0.02 . 1 . . . . 9 CYS HA . 15374 1 66 . 1 1 9 9 CYS HB2 H 1 3.270 0.02 . 2 . . . . 9 CYS HB2 . 15374 1 67 . 1 1 9 9 CYS HB3 H 1 2.511 0.02 . 2 . . . . 9 CYS HB3 . 15374 1 68 . 1 1 9 9 CYS N N 15 121.274 0.1 . 1 . . . . 9 CYS N . 15374 1 69 . 1 1 10 10 GLY H H 1 7.821 0.02 . 1 . . . . 10 GLY HN . 15374 1 70 . 1 1 10 10 GLY HA2 H 1 3.663 0.02 . 2 . . . . 10 GLY HA1 . 15374 1 71 . 1 1 10 10 GLY HA3 H 1 4.251 0.02 . 2 . . . . 10 GLY HA2 . 15374 1 72 . 1 1 10 10 GLY N N 15 113.067 0.1 . 1 . . . . 10 GLY N . 15374 1 73 . 1 1 11 11 TYR H H 1 9.393 0.02 . 1 . . . . 11 TYR HN . 15374 1 74 . 1 1 11 11 TYR HA H 1 4.213 0.02 . 1 . . . . 11 TYR HA . 15374 1 75 . 1 1 11 11 TYR HB2 H 1 3.098 0.02 . 2 . . . . 11 TYR HB2 . 15374 1 76 . 1 1 11 11 TYR HB3 H 1 3.098 0.02 . 2 . . . . 11 TYR HB3 . 15374 1 77 . 1 1 11 11 TYR HD1 H 1 7.382 0.02 . 1 . . . . 11 TYR HD1 . 15374 1 78 . 1 1 11 11 TYR HD2 H 1 7.382 0.02 . 1 . . . . 11 TYR HD2 . 15374 1 79 . 1 1 11 11 TYR HE1 H 1 7.092 0.02 . 1 . . . . 11 TYR HE1 . 15374 1 80 . 1 1 11 11 TYR HE2 H 1 7.092 0.02 . 1 . . . . 11 TYR HE2 . 15374 1 81 . 1 1 11 11 TYR N N 15 128.218 0.1 . 1 . . . . 11 TYR N . 15374 1 82 . 1 1 12 12 GLU H H 1 7.456 0.02 . 1 . . . . 12 GLU HN . 15374 1 83 . 1 1 12 12 GLU HA H 1 4.887 0.02 . 1 . . . . 12 GLU HA . 15374 1 84 . 1 1 12 12 GLU HB2 H 1 2.140 0.02 . 2 . . . . 12 GLU HB2 . 15374 1 85 . 1 1 12 12 GLU HB3 H 1 2.140 0.02 . 2 . . . . 12 GLU HB3 . 15374 1 86 . 1 1 12 12 GLU HG2 H 1 1.706 0.02 . 2 . . . . 12 GLU HG2 . 15374 1 87 . 1 1 12 12 GLU HG3 H 1 1.706 0.02 . 2 . . . . 12 GLU HG3 . 15374 1 88 . 1 1 12 12 GLU N N 15 127.210 0.1 . 1 . . . . 12 GLU N . 15374 1 89 . 1 1 13 13 TYR H H 1 9.540 0.02 . 1 . . . . 13 TYR HN . 15374 1 90 . 1 1 13 13 TYR HA H 1 4.445 0.02 . 1 . . . . 13 TYR HA . 15374 1 91 . 1 1 13 13 TYR HB2 H 1 3.230 0.02 . 2 . . . . 13 TYR HB2 . 15374 1 92 . 1 1 13 13 TYR HB3 H 1 3.090 0.02 . 2 . . . . 13 TYR HB3 . 15374 1 93 . 1 1 13 13 TYR HD1 H 1 7.210 0.02 . 1 . . . . 13 TYR HD1 . 15374 1 94 . 1 1 13 13 TYR HD2 H 1 7.210 0.02 . 1 . . . . 13 TYR HD2 . 15374 1 95 . 1 1 13 13 TYR HE1 H 1 6.355 0.02 . 1 . . . . 13 TYR HE1 . 15374 1 96 . 1 1 13 13 TYR HE2 H 1 6.355 0.02 . 1 . . . . 13 TYR HE2 . 15374 1 97 . 1 1 13 13 TYR HH H 1 8.737 0.02 . 1 . . . . 13 TYR HH . 15374 1 98 . 1 1 13 13 TYR N N 15 125.578 0.1 . 1 . . . . 13 TYR N . 15374 1 99 . 1 1 14 14 ASP H H 1 8.390 0.02 . 1 . . . . 14 ASP HN . 15374 1 100 . 1 1 14 14 ASP HA H 1 5.013 0.02 . 1 . . . . 14 ASP HA . 15374 1 101 . 1 1 14 14 ASP HB2 H 1 2.323 0.02 . 2 . . . . 14 ASP HB2 . 15374 1 102 . 1 1 14 14 ASP HB3 H 1 2.826 0.02 . 2 . . . . 14 ASP HB3 . 15374 1 103 . 1 1 14 14 ASP N N 15 128.076 0.1 . 1 . . . . 14 ASP N . 15374 1 104 . 1 1 15 15 PRO HA H 1 4.008 0.02 . 1 . . . . 15 PRO HA . 15374 1 105 . 1 1 15 15 PRO HB2 H 1 2.081 0.02 . 2 . . . . 15 PRO HB2 . 15374 1 106 . 1 1 15 15 PRO HB3 H 1 2.349 0.02 . 2 . . . . 15 PRO HB3 . 15374 1 107 . 1 1 15 15 PRO HD2 H 1 3.836 0.02 . 2 . . . . 15 PRO HD2 . 15374 1 108 . 1 1 15 15 PRO HD3 H 1 4.019 0.02 . 2 . . . . 15 PRO HD3 . 15374 1 109 . 1 1 15 15 PRO HG2 H 1 1.838 0.02 . 2 . . . . 15 PRO HG2 . 15374 1 110 . 1 1 15 15 PRO HG3 H 1 1.838 0.02 . 2 . . . . 15 PRO HG3 . 15374 1 111 . 1 1 16 16 ALA H H 1 7.897 0.02 . 1 . . . . 16 ALA HN . 15374 1 112 . 1 1 16 16 ALA HA H 1 3.910 0.02 . 1 . . . . 16 ALA HA . 15374 1 113 . 1 1 16 16 ALA HB1 H 1 1.367 0.02 . 1 . . . . 16 ALA QB . 15374 1 114 . 1 1 16 16 ALA HB2 H 1 1.367 0.02 . 1 . . . . 16 ALA QB . 15374 1 115 . 1 1 16 16 ALA HB3 H 1 1.367 0.02 . 1 . . . . 16 ALA QB . 15374 1 116 . 1 1 16 16 ALA N N 15 116.302 0.1 . 1 . . . . 16 ALA N . 15374 1 117 . 1 1 17 17 GLU H H 1 7.388 0.02 . 1 . . . . 17 GLU HN . 15374 1 118 . 1 1 17 17 GLU HA H 1 4.354 0.02 . 1 . . . . 17 GLU HA . 15374 1 119 . 1 1 17 17 GLU HB2 H 1 1.962 0.02 . 2 . . . . 17 GLU HB2 . 15374 1 120 . 1 1 17 17 GLU HB3 H 1 2.404 0.02 . 2 . . . . 17 GLU HB3 . 15374 1 121 . 1 1 17 17 GLU HG2 H 1 2.188 0.02 . 2 . . . . 17 GLU HG2 . 15374 1 122 . 1 1 17 17 GLU HG3 H 1 2.085 0.02 . 2 . . . . 17 GLU HG3 . 15374 1 123 . 1 1 17 17 GLU N N 15 114.338 0.1 . 1 . . . . 17 GLU N . 15374 1 124 . 1 1 18 18 GLY H H 1 8.069 0.02 . 1 . . . . 18 GLY HN . 15374 1 125 . 1 1 18 18 GLY HA2 H 1 3.963 0.02 . 2 . . . . 18 GLY HA1 . 15374 1 126 . 1 1 18 18 GLY HA3 H 1 3.510 0.02 . 2 . . . . 18 GLY HA2 . 15374 1 127 . 1 1 18 18 GLY N N 15 105.574 0.1 . 1 . . . . 18 GLY N . 15374 1 128 . 1 1 19 19 ASP H H 1 8.141 0.02 . 1 . . . . 19 ASP HN . 15374 1 129 . 1 1 19 19 ASP HA H 1 5.198 0.02 . 1 . . . . 19 ASP HA . 15374 1 130 . 1 1 19 19 ASP HB2 H 1 3.095 0.02 . 2 . . . . 19 ASP HB2 . 15374 1 131 . 1 1 19 19 ASP HB3 H 1 2.868 0.02 . 2 . . . . 19 ASP HB3 . 15374 1 132 . 1 1 19 19 ASP N N 15 117.708 0.1 . 1 . . . . 19 ASP N . 15374 1 133 . 1 1 20 20 PRO HA H 1 4.005 0.02 . 1 . . . . 20 PRO HA . 15374 1 134 . 1 1 20 20 PRO HB2 H 1 2.311 0.02 . 2 . . . . 20 PRO HB2 . 15374 1 135 . 1 1 20 20 PRO HB3 H 1 2.311 0.02 . 2 . . . . 20 PRO HB3 . 15374 1 136 . 1 1 20 20 PRO HD2 H 1 4.152 0.02 . 2 . . . . 20 PRO HD2 . 15374 1 137 . 1 1 20 20 PRO HD3 H 1 3.926 0.02 . 2 . . . . 20 PRO HD3 . 15374 1 138 . 1 1 20 20 PRO HG2 H 1 2.136 0.02 . 2 . . . . 20 PRO HG2 . 15374 1 139 . 1 1 20 20 PRO HG3 H 1 2.136 0.02 . 2 . . . . 20 PRO HG3 . 15374 1 140 . 1 1 21 21 ASP H H 1 9.391 0.02 . 1 . . . . 21 ASP HN . 15374 1 141 . 1 1 21 21 ASP HA H 1 4.473 0.02 . 1 . . . . 21 ASP HA . 15374 1 142 . 1 1 21 21 ASP HB2 H 1 2.701 0.02 . 2 . . . . 21 ASP HB2 . 15374 1 143 . 1 1 21 21 ASP HB3 H 1 2.701 0.02 . 2 . . . . 21 ASP HB3 . 15374 1 144 . 1 1 21 21 ASP N N 15 120.881 0.1 . 1 . . . . 21 ASP N . 15374 1 145 . 1 1 22 22 ASN H H 1 7.663 0.02 . 1 . . . . 22 ASN HN . 15374 1 146 . 1 1 22 22 ASN HA H 1 5.078 0.02 . 1 . . . . 22 ASN HA . 15374 1 147 . 1 1 22 22 ASN HB2 H 1 2.931 0.02 . 2 . . . . 22 ASN HB2 . 15374 1 148 . 1 1 22 22 ASN HB3 H 1 2.848 0.02 . 2 . . . . 22 ASN HB3 . 15374 1 149 . 1 1 22 22 ASN HD21 H 1 9.362 0.02 . 2 . . . . 22 ASN HD21 . 15374 1 150 . 1 1 22 22 ASN HD22 H 1 7.081 0.02 . 2 . . . . 22 ASN HD22 . 15374 1 151 . 1 1 22 22 ASN N N 15 114.971 0.1 . 1 . . . . 22 ASN N . 15374 1 152 . 1 1 23 23 GLY H H 1 7.678 0.02 . 1 . . . . 23 GLY HN . 15374 1 153 . 1 1 23 23 GLY HA2 H 1 4.165 0.02 . 2 . . . . 23 GLY HA1 . 15374 1 154 . 1 1 23 23 GLY HA3 H 1 3.789 0.02 . 2 . . . . 23 GLY HA2 . 15374 1 155 . 1 1 23 23 GLY N N 15 105.605 0.1 . 1 . . . . 23 GLY N . 15374 1 156 . 1 1 24 24 VAL H H 1 7.556 0.02 . 1 . . . . 24 VAL HN . 15374 1 157 . 1 1 24 24 VAL HA H 1 4.167 0.02 . 1 . . . . 24 VAL HA . 15374 1 158 . 1 1 24 24 VAL HB H 1 1.967 0.02 . 1 . . . . 24 VAL HB . 15374 1 159 . 1 1 24 24 VAL HG11 H 1 0.856 0.02 . 2 . . . . 24 VAL QG1 . 15374 1 160 . 1 1 24 24 VAL HG12 H 1 0.856 0.02 . 2 . . . . 24 VAL QG1 . 15374 1 161 . 1 1 24 24 VAL HG13 H 1 0.856 0.02 . 2 . . . . 24 VAL QG1 . 15374 1 162 . 1 1 24 24 VAL HG21 H 1 0.856 0.02 . 2 . . . . 24 VAL QG2 . 15374 1 163 . 1 1 24 24 VAL HG22 H 1 0.856 0.02 . 2 . . . . 24 VAL QG2 . 15374 1 164 . 1 1 24 24 VAL HG23 H 1 0.856 0.02 . 2 . . . . 24 VAL QG2 . 15374 1 165 . 1 1 24 24 VAL N N 15 122.396 0.1 . 1 . . . . 24 VAL N . 15374 1 166 . 1 1 25 25 LYS H H 1 8.552 0.02 . 1 . . . . 25 LYS HN . 15374 1 167 . 1 1 25 25 LYS HA H 1 4.414 0.02 . 1 . . . . 25 LYS HA . 15374 1 168 . 1 1 25 25 LYS HB2 H 1 1.764 0.02 . 2 . . . . 25 LYS HB2 . 15374 1 169 . 1 1 25 25 LYS HB3 H 1 1.764 0.02 . 2 . . . . 25 LYS HB3 . 15374 1 170 . 1 1 25 25 LYS HD2 H 1 1.483 0.02 . 2 . . . . 25 LYS HD2 . 15374 1 171 . 1 1 25 25 LYS HD3 H 1 1.483 0.02 . 2 . . . . 25 LYS HD3 . 15374 1 172 . 1 1 25 25 LYS HG2 H 1 1.644 0.02 . 2 . . . . 25 LYS HG2 . 15374 1 173 . 1 1 25 25 LYS HG3 H 1 1.644 0.02 . 2 . . . . 25 LYS HG3 . 15374 1 174 . 1 1 25 25 LYS N N 15 128.930 0.1 . 1 . . . . 25 LYS N . 15374 1 175 . 1 1 26 26 PRO HA H 1 3.683 0.02 . 1 . . . . 26 PRO HA . 15374 1 176 . 1 1 26 26 PRO HB2 H 1 1.735 0.02 . 2 . . . . 26 PRO HB2 . 15374 1 177 . 1 1 26 26 PRO HB3 H 1 2.418 0.02 . 2 . . . . 26 PRO HB3 . 15374 1 178 . 1 1 26 26 PRO HG2 H 1 1.871 0.02 . 2 . . . . 26 PRO HG2 . 15374 1 179 . 1 1 26 26 PRO HG3 H 1 2.617 0.02 . 2 . . . . 26 PRO HG3 . 15374 1 180 . 1 1 27 27 GLY H H 1 8.708 0.02 . 1 . . . . 27 GLY HN . 15374 1 181 . 1 1 27 27 GLY HA2 H 1 4.172 0.02 . 2 . . . . 27 GLY HA1 . 15374 1 182 . 1 1 27 27 GLY HA3 H 1 3.419 0.02 . 2 . . . . 27 GLY HA2 . 15374 1 183 . 1 1 27 27 GLY N N 15 112.997 0.1 . 1 . . . . 27 GLY N . 15374 1 184 . 1 1 28 28 THR H H 1 7.133 0.02 . 1 . . . . 28 THR HN . 15374 1 185 . 1 1 28 28 THR HA H 1 4.197 0.02 . 1 . . . . 28 THR HA . 15374 1 186 . 1 1 28 28 THR HB H 1 3.779 0.02 . 1 . . . . 28 THR HB . 15374 1 187 . 1 1 28 28 THR HG1 H 1 6.514 0.02 . 1 . . . . 28 THR HG1 . 15374 1 188 . 1 1 28 28 THR HG21 H 1 1.058 0.02 . 1 . . . . 28 THR QG2 . 15374 1 189 . 1 1 28 28 THR HG22 H 1 1.058 0.02 . 1 . . . . 28 THR QG2 . 15374 1 190 . 1 1 28 28 THR HG23 H 1 1.058 0.02 . 1 . . . . 28 THR QG2 . 15374 1 191 . 1 1 28 28 THR N N 15 117.317 0.1 . 1 . . . . 28 THR N . 15374 1 192 . 1 1 29 29 SER H H 1 9.543 0.02 . 1 . . . . 29 SER HN . 15374 1 193 . 1 1 29 29 SER HA H 1 3.951 0.02 . 1 . . . . 29 SER HA . 15374 1 194 . 1 1 29 29 SER HB3 H 1 4.295 0.02 . 2 . . . . 29 SER HB3 . 15374 1 195 . 1 1 29 29 SER N N 15 127.007 0.1 . 1 . . . . 29 SER N . 15374 1 196 . 1 1 30 30 PHE H H 1 9.546 0.02 . 1 . . . . 30 PHE HN . 15374 1 197 . 1 1 30 30 PHE HA H 1 3.288 0.02 . 1 . . . . 30 PHE HA . 15374 1 198 . 1 1 30 30 PHE HB2 H 1 2.625 0.02 . 2 . . . . 30 PHE HB2 . 15374 1 199 . 1 1 30 30 PHE HB3 H 1 2.291 0.02 . 2 . . . . 30 PHE HB3 . 15374 1 200 . 1 1 30 30 PHE HD1 H 1 6.105 0.02 . 1 . . . . 30 PHE HD1 . 15374 1 201 . 1 1 30 30 PHE HD2 H 1 6.105 0.02 . 1 . . . . 30 PHE HD2 . 15374 1 202 . 1 1 30 30 PHE HE1 H 1 6.423 0.02 . 1 . . . . 30 PHE HE1 . 15374 1 203 . 1 1 30 30 PHE HE2 H 1 6.423 0.02 . 1 . . . . 30 PHE HE2 . 15374 1 204 . 1 1 30 30 PHE HZ H 1 6.944 0.02 . 1 . . . . 30 PHE HZ . 15374 1 205 . 1 1 30 30 PHE N N 15 124.800 0.1 . 1 . . . . 30 PHE N . 15374 1 206 . 1 1 31 31 ASP H H 1 7.915 0.02 . 1 . . . . 31 ASP HN . 15374 1 207 . 1 1 31 31 ASP HA H 1 4.005 0.02 . 1 . . . . 31 ASP HA . 15374 1 208 . 1 1 31 31 ASP HB2 H 1 2.591 0.02 . 2 . . . . 31 ASP HB2 . 15374 1 209 . 1 1 31 31 ASP HB3 H 1 2.322 0.02 . 2 . . . . 31 ASP HB3 . 15374 1 210 . 1 1 31 31 ASP N N 15 114.735 0.1 . 1 . . . . 31 ASP N . 15374 1 211 . 1 1 32 32 ASP H H 1 7.330 0.02 . 1 . . . . 32 ASP HN . 15374 1 212 . 1 1 32 32 ASP HA H 1 4.524 0.02 . 1 . . . . 32 ASP HA . 15374 1 213 . 1 1 32 32 ASP HB2 H 1 2.426 0.02 . 2 . . . . 32 ASP HB2 . 15374 1 214 . 1 1 32 32 ASP HB3 H 1 2.718 0.02 . 2 . . . . 32 ASP HB3 . 15374 1 215 . 1 1 32 32 ASP N N 15 117.008 0.1 . 1 . . . . 32 ASP N . 15374 1 216 . 1 1 33 33 LEU H H 1 6.802 0.02 . 1 . . . . 33 LEU HN . 15374 1 217 . 1 1 33 33 LEU HA H 1 3.773 0.02 . 1 . . . . 33 LEU HA . 15374 1 218 . 1 1 33 33 LEU HB2 H 1 0.550 0.02 . 2 . . . . 33 LEU HB2 . 15374 1 219 . 1 1 33 33 LEU HB3 H 1 0.231 0.02 . 2 . . . . 33 LEU HB3 . 15374 1 220 . 1 1 33 33 LEU HD11 H 1 -1.709 0.02 . 2 . . . . 33 LEU QD1 . 15374 1 221 . 1 1 33 33 LEU HD12 H 1 -1.709 0.02 . 2 . . . . 33 LEU QD1 . 15374 1 222 . 1 1 33 33 LEU HD13 H 1 -1.709 0.02 . 2 . . . . 33 LEU QD1 . 15374 1 223 . 1 1 33 33 LEU HD21 H 1 -0.354 0.02 . 2 . . . . 33 LEU QD2 . 15374 1 224 . 1 1 33 33 LEU HD22 H 1 -0.354 0.02 . 2 . . . . 33 LEU QD2 . 15374 1 225 . 1 1 33 33 LEU HD23 H 1 -0.354 0.02 . 2 . . . . 33 LEU QD2 . 15374 1 226 . 1 1 33 33 LEU HG H 1 0.791 0.02 . 1 . . . . 33 LEU HG . 15374 1 227 . 1 1 33 33 LEU N N 15 123.359 0.1 . 1 . . . . 33 LEU N . 15374 1 228 . 1 1 34 34 PRO HA H 1 4.277 0.02 . 1 . . . . 34 PRO HA . 15374 1 229 . 1 1 34 34 PRO HB2 H 1 2.046 0.02 . 2 . . . . 34 PRO HB2 . 15374 1 230 . 1 1 34 34 PRO HB3 H 1 2.410 0.02 . 2 . . . . 34 PRO HB3 . 15374 1 231 . 1 1 34 34 PRO HD2 H 1 3.168 0.02 . 2 . . . . 34 PRO HD2 . 15374 1 232 . 1 1 34 34 PRO HD3 H 1 3.737 0.02 . 2 . . . . 34 PRO HD3 . 15374 1 233 . 1 1 34 34 PRO HG2 H 1 2.187 0.02 . 2 . . . . 34 PRO HG2 . 15374 1 234 . 1 1 34 34 PRO HG3 H 1 2.055 0.02 . 2 . . . . 34 PRO HG3 . 15374 1 235 . 1 1 35 35 ALA H H 1 7.896 0.02 . 1 . . . . 35 ALA HN . 15374 1 236 . 1 1 35 35 ALA HA H 1 3.932 0.02 . 1 . . . . 35 ALA HA . 15374 1 237 . 1 1 35 35 ALA HB1 H 1 1.401 0.02 . 1 . . . . 35 ALA QB . 15374 1 238 . 1 1 35 35 ALA HB2 H 1 1.401 0.02 . 1 . . . . 35 ALA QB . 15374 1 239 . 1 1 35 35 ALA HB3 H 1 1.401 0.02 . 1 . . . . 35 ALA QB . 15374 1 240 . 1 1 35 35 ALA N N 15 129.585 0.1 . 1 . . . . 35 ALA N . 15374 1 241 . 1 1 36 36 ASP H H 1 8.216 0.02 . 1 . . . . 36 ASP HN . 15374 1 242 . 1 1 36 36 ASP HA H 1 4.555 0.02 . 1 . . . . 36 ASP HA . 15374 1 243 . 1 1 36 36 ASP HB2 H 1 2.569 0.02 . 2 . . . . 36 ASP HB2 . 15374 1 244 . 1 1 36 36 ASP HB3 H 1 2.829 0.02 . 2 . . . . 36 ASP HB3 . 15374 1 245 . 1 1 36 36 ASP N N 15 112.620 0.1 . 1 . . . . 36 ASP N . 15374 1 246 . 1 1 37 37 TRP H H 1 7.625 0.02 . 1 . . . . 37 TRP HN . 15374 1 247 . 1 1 37 37 TRP HA H 1 4.112 0.02 . 1 . . . . 37 TRP HA . 15374 1 248 . 1 1 37 37 TRP HB2 H 1 2.905 0.02 . 2 . . . . 37 TRP HB2 . 15374 1 249 . 1 1 37 37 TRP HB3 H 1 2.832 0.02 . 2 . . . . 37 TRP HB3 . 15374 1 250 . 1 1 37 37 TRP HD1 H 1 7.150 0.02 . 1 . . . . 37 TRP HD1 . 15374 1 251 . 1 1 37 37 TRP HE1 H 1 11.287 0.02 . 1 . . . . 37 TRP HE1 . 15374 1 252 . 1 1 37 37 TRP HE3 H 1 6.532 0.02 . 1 . . . . 37 TRP HE3 . 15374 1 253 . 1 1 37 37 TRP HH2 H 1 6.867 0.02 . 1 . . . . 37 TRP HH2 . 15374 1 254 . 1 1 37 37 TRP HZ2 H 1 7.258 0.02 . 1 . . . . 37 TRP HZ2 . 15374 1 255 . 1 1 37 37 TRP HZ3 H 1 5.597 0.02 . 1 . . . . 37 TRP HZ3 . 15374 1 256 . 1 1 37 37 TRP N N 15 123.123 0.1 . 1 . . . . 37 TRP N . 15374 1 257 . 1 1 38 38 VAL H H 1 6.310 0.02 . 1 . . . . 38 VAL HN . 15374 1 258 . 1 1 38 38 VAL HA H 1 4.395 0.02 . 1 . . . . 38 VAL HA . 15374 1 259 . 1 1 38 38 VAL HB H 1 1.513 0.02 . 1 . . . . 38 VAL HB . 15374 1 260 . 1 1 38 38 VAL HG11 H 1 0.597 0.02 . 2 . . . . 38 VAL QG1 . 15374 1 261 . 1 1 38 38 VAL HG12 H 1 0.597 0.02 . 2 . . . . 38 VAL QG1 . 15374 1 262 . 1 1 38 38 VAL HG13 H 1 0.597 0.02 . 2 . . . . 38 VAL QG1 . 15374 1 263 . 1 1 38 38 VAL HG21 H 1 0.295 0.02 . 2 . . . . 38 VAL QG2 . 15374 1 264 . 1 1 38 38 VAL HG22 H 1 0.295 0.02 . 2 . . . . 38 VAL QG2 . 15374 1 265 . 1 1 38 38 VAL HG23 H 1 0.295 0.02 . 2 . . . . 38 VAL QG2 . 15374 1 266 . 1 1 38 38 VAL N N 15 117.596 0.1 . 1 . . . . 38 VAL N . 15374 1 267 . 1 1 39 39 CYS H H 1 8.991 0.02 . 1 . . . . 39 CYS HN . 15374 1 268 . 1 1 39 39 CYS HA H 1 3.817 0.02 . 1 . . . . 39 CYS HA . 15374 1 269 . 1 1 39 39 CYS HB2 H 1 3.213 0.02 . 2 . . . . 39 CYS HB2 . 15374 1 270 . 1 1 39 39 CYS HB3 H 1 3.071 0.02 . 2 . . . . 39 CYS HB3 . 15374 1 271 . 1 1 39 39 CYS N N 15 121.584 0.1 . 1 . . . . 39 CYS N . 15374 1 272 . 1 1 40 40 PRO HA H 1 4.075 0.02 . 1 . . . . 40 PRO HA . 15374 1 273 . 1 1 40 40 PRO HB2 H 1 1.713 0.02 . 2 . . . . 40 PRO HB2 . 15374 1 274 . 1 1 40 40 PRO HB3 H 1 2.256 0.02 . 2 . . . . 40 PRO HB3 . 15374 1 275 . 1 1 40 40 PRO HD2 H 1 3.208 0.02 . 2 . . . . 40 PRO HD2 . 15374 1 276 . 1 1 40 40 PRO HD3 H 1 3.487 0.02 . 2 . . . . 40 PRO HD3 . 15374 1 277 . 1 1 40 40 PRO HG2 H 1 1.243 0.02 . 2 . . . . 40 PRO HG2 . 15374 1 278 . 1 1 40 40 PRO HG3 H 1 1.894 0.02 . 2 . . . . 40 PRO HG3 . 15374 1 279 . 1 1 41 41 VAL H H 1 8.754 0.02 . 1 . . . . 41 VAL HN . 15374 1 280 . 1 1 41 41 VAL HA H 1 3.893 0.02 . 1 . . . . 41 VAL HA . 15374 1 281 . 1 1 41 41 VAL HB H 1 2.602 0.02 . 1 . . . . 41 VAL HB . 15374 1 282 . 1 1 41 41 VAL HG11 H 1 0.871 0.02 . 2 . . . . 41 VAL QG1 . 15374 1 283 . 1 1 41 41 VAL HG12 H 1 0.871 0.02 . 2 . . . . 41 VAL QG1 . 15374 1 284 . 1 1 41 41 VAL HG13 H 1 0.871 0.02 . 2 . . . . 41 VAL QG1 . 15374 1 285 . 1 1 41 41 VAL HG21 H 1 0.871 0.02 . 2 . . . . 41 VAL QG2 . 15374 1 286 . 1 1 41 41 VAL HG22 H 1 0.871 0.02 . 2 . . . . 41 VAL QG2 . 15374 1 287 . 1 1 41 41 VAL HG23 H 1 0.871 0.02 . 2 . . . . 41 VAL QG2 . 15374 1 288 . 1 1 41 41 VAL N N 15 123.419 0.1 . 1 . . . . 41 VAL N . 15374 1 289 . 1 1 42 42 CYS H H 1 8.824 0.02 . 1 . . . . 42 CYS HN . 15374 1 290 . 1 1 42 42 CYS HA H 1 4.893 0.02 . 1 . . . . 42 CYS HA . 15374 1 291 . 1 1 42 42 CYS HB2 H 1 2.493 0.02 . 2 . . . . 42 CYS HB2 . 15374 1 292 . 1 1 42 42 CYS HB3 H 1 3.225 0.02 . 2 . . . . 42 CYS HB3 . 15374 1 293 . 1 1 42 42 CYS N N 15 121.044 0.1 . 1 . . . . 42 CYS N . 15374 1 294 . 1 1 43 43 GLY H H 1 7.892 0.02 . 1 . . . . 43 GLY HN . 15374 1 295 . 1 1 43 43 GLY HA2 H 1 3.526 0.02 . 2 . . . . 43 GLY HA1 . 15374 1 296 . 1 1 43 43 GLY HA3 H 1 4.055 0.02 . 2 . . . . 43 GLY HA2 . 15374 1 297 . 1 1 43 43 GLY N N 15 112.916 0.1 . 1 . . . . 43 GLY N . 15374 1 298 . 1 1 44 44 ALA H H 1 9.156 0.02 . 1 . . . . 44 ALA HN . 15374 1 299 . 1 1 44 44 ALA HA H 1 4.395 0.02 . 1 . . . . 44 ALA HA . 15374 1 300 . 1 1 44 44 ALA HB1 H 1 1.463 0.02 . 1 . . . . 44 ALA QB . 15374 1 301 . 1 1 44 44 ALA HB2 H 1 1.463 0.02 . 1 . . . . 44 ALA QB . 15374 1 302 . 1 1 44 44 ALA HB3 H 1 1.463 0.02 . 1 . . . . 44 ALA QB . 15374 1 303 . 1 1 44 44 ALA N N 15 129.120 0.1 . 1 . . . . 44 ALA N . 15374 1 304 . 1 1 45 45 PRO HB2 H 1 2.412 0.02 . 2 . . . . 45 PRO HB2 . 15374 1 305 . 1 1 45 45 PRO HB3 H 1 2.080 0.02 . 2 . . . . 45 PRO HB3 . 15374 1 306 . 1 1 45 45 PRO HD2 H 1 3.615 0.02 . 2 . . . . 45 PRO HD2 . 15374 1 307 . 1 1 45 45 PRO HD3 H 1 3.827 0.02 . 2 . . . . 45 PRO HD3 . 15374 1 308 . 1 1 45 45 PRO HG2 H 1 1.748 0.02 . 2 . . . . 45 PRO HG2 . 15374 1 309 . 1 1 45 45 PRO HG3 H 1 1.748 0.02 . 2 . . . . 45 PRO HG3 . 15374 1 310 . 1 1 46 46 LYS H H 1 8.229 0.02 . 1 . . . . 46 LYS HN . 15374 1 311 . 1 1 46 46 LYS HA H 1 4.117 0.02 . 1 . . . . 46 LYS HA . 15374 1 312 . 1 1 46 46 LYS HB2 H 1 1.959 0.02 . 2 . . . . 46 LYS HB2 . 15374 1 313 . 1 1 46 46 LYS HB3 H 1 1.851 0.02 . 2 . . . . 46 LYS HB3 . 15374 1 314 . 1 1 46 46 LYS HD2 H 1 1.190 0.02 . 2 . . . . 46 LYS HD2 . 15374 1 315 . 1 1 46 46 LYS HD3 H 1 1.190 0.02 . 2 . . . . 46 LYS HD3 . 15374 1 316 . 1 1 46 46 LYS HE2 H 1 2.356 0.02 . 2 . . . . 46 LYS HE2 . 15374 1 317 . 1 1 46 46 LYS HE3 H 1 2.085 0.02 . 2 . . . . 46 LYS HE3 . 15374 1 318 . 1 1 46 46 LYS HG2 H 1 1.510 0.02 . 2 . . . . 46 LYS HG2 . 15374 1 319 . 1 1 46 46 LYS HG3 H 1 1.510 0.02 . 2 . . . . 46 LYS HG3 . 15374 1 320 . 1 1 46 46 LYS N N 15 118.692 0.1 . 1 . . . . 46 LYS N . 15374 1 321 . 1 1 47 47 SER H H 1 8.070 0.02 . 1 . . . . 47 SER HN . 15374 1 322 . 1 1 47 47 SER HA H 1 4.377 0.02 . 1 . . . . 47 SER HA . 15374 1 323 . 1 1 47 47 SER N N 15 110.772 0.1 . 1 . . . . 47 SER N . 15374 1 324 . 1 1 48 48 GLU H H 1 8.476 0.02 . 1 . . . . 48 GLU HN . 15374 1 325 . 1 1 48 48 GLU HB2 H 1 2.078 0.02 . 2 . . . . 48 GLU HB2 . 15374 1 326 . 1 1 48 48 GLU HB3 H 1 2.078 0.02 . 2 . . . . 48 GLU HB3 . 15374 1 327 . 1 1 48 48 GLU HG2 H 1 2.218 0.02 . 2 . . . . 48 GLU HG2 . 15374 1 328 . 1 1 48 48 GLU HG3 H 1 2.361 0.02 . 2 . . . . 48 GLU HG3 . 15374 1 329 . 1 1 48 48 GLU N N 15 119.845 0.1 . 1 . . . . 48 GLU N . 15374 1 330 . 1 1 49 49 PHE H H 1 8.116 0.02 . 1 . . . . 49 PHE HN . 15374 1 331 . 1 1 49 49 PHE HA H 1 5.436 0.02 . 1 . . . . 49 PHE HA . 15374 1 332 . 1 1 49 49 PHE HB2 H 1 3.830 0.02 . 2 . . . . 49 PHE HB2 . 15374 1 333 . 1 1 49 49 PHE HB3 H 1 2.586 0.02 . 2 . . . . 49 PHE HB3 . 15374 1 334 . 1 1 49 49 PHE HD1 H 1 7.391 0.02 . 1 . . . . 49 PHE HD1 . 15374 1 335 . 1 1 49 49 PHE HD2 H 1 7.391 0.02 . 1 . . . . 49 PHE HD2 . 15374 1 336 . 1 1 49 49 PHE HE1 H 1 7.601 0.02 . 1 . . . . 49 PHE HE1 . 15374 1 337 . 1 1 49 49 PHE HE2 H 1 7.601 0.02 . 1 . . . . 49 PHE HE2 . 15374 1 338 . 1 1 49 49 PHE HZ H 1 7.673 0.02 . 1 . . . . 49 PHE HZ . 15374 1 339 . 1 1 49 49 PHE N N 15 122.914 0.1 . 1 . . . . 49 PHE N . 15374 1 340 . 1 1 50 50 GLU H H 1 9.055 0.02 . 1 . . . . 50 GLU HN . 15374 1 341 . 1 1 50 50 GLU HB2 H 1 2.172 0.02 . 2 . . . . 50 GLU HB2 . 15374 1 342 . 1 1 50 50 GLU HB3 H 1 2.172 0.02 . 2 . . . . 50 GLU HB3 . 15374 1 343 . 1 1 50 50 GLU HG2 H 1 1.911 0.02 . 2 . . . . 50 GLU HG2 . 15374 1 344 . 1 1 50 50 GLU HG3 H 1 1.819 0.02 . 2 . . . . 50 GLU HG3 . 15374 1 345 . 1 1 50 50 GLU N N 15 119.977 0.1 . 1 . . . . 50 GLU N . 15374 1 346 . 1 1 51 51 ALA H H 1 8.557 0.02 . 1 . . . . 51 ALA HN . 15374 1 347 . 1 1 51 51 ALA HA H 1 3.306 0.02 . 1 . . . . 51 ALA HA . 15374 1 348 . 1 1 51 51 ALA HB1 H 1 0.932 0.02 . 1 . . . . 51 ALA QB . 15374 1 349 . 1 1 51 51 ALA HB2 H 1 0.932 0.02 . 1 . . . . 51 ALA QB . 15374 1 350 . 1 1 51 51 ALA HB3 H 1 0.932 0.02 . 1 . . . . 51 ALA QB . 15374 1 351 . 1 1 51 51 ALA N N 15 127.085 0.1 . 1 . . . . 51 ALA N . 15374 1 352 . 1 1 52 52 ALA H H 1 8.119 0.02 . 1 . . . . 52 ALA HN . 15374 1 353 . 1 1 52 52 ALA HA H 1 3.991 0.02 . 1 . . . . 52 ALA HA . 15374 1 354 . 1 1 52 52 ALA HB1 H 1 1.099 0.02 . 1 . . . . 52 ALA QB . 15374 1 355 . 1 1 52 52 ALA HB2 H 1 1.099 0.02 . 1 . . . . 52 ALA QB . 15374 1 356 . 1 1 52 52 ALA HB3 H 1 1.099 0.02 . 1 . . . . 52 ALA QB . 15374 1 357 . 1 1 52 52 ALA N N 15 131.563 0.1 . 1 . . . . 52 ALA N . 15374 1 stop_ save_