################################### # 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 30511 _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 $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 NOESY' . . . 30511 1 2 '2D 1H-15N HSQC' . . . 30511 1 3 '2D 1H-15N HSQC' . . . 30511 1 4 '2D 1H-13C HSQC' . . . 30511 1 5 '2D 1H-1H NOESY' . . . 30511 1 6 '2D 1H-13C HSQC' . . . 30511 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 G H1' H 1 5.7041 . . 1 . . . . A 24 G H1' . 30511 1 2 . 1 1 1 1 G H2' H 1 4.7934 . . 1 . . . . A 24 G H2' . 30511 1 3 . 1 1 1 1 G H8 H 1 8.0388 . . 1 . . . . A 24 G H8 . 30511 1 4 . 1 1 1 1 G C1' C 13 94.2068 . . 1 . . . . A 24 G C1' . 30511 1 5 . 1 1 1 1 G C8 C 13 138.5252 . . 1 . . . . A 24 G C8 . 30511 1 6 . 1 1 2 2 G H1 H 1 12.5774 . . 1 . . . . A 25 G H1 . 30511 1 7 . 1 1 2 2 G H1' H 1 5.8017 . . 1 . . . . A 25 G H1' . 30511 1 8 . 1 1 2 2 G H8 H 1 7.4246 . . 1 . . . . A 25 G H8 . 30511 1 9 . 1 1 2 2 G C1' C 13 94.197 . . 1 . . . . A 25 G C1' . 30511 1 10 . 1 1 2 2 G C8 C 13 134.4788 . . 1 . . . . A 25 G C8 . 30511 1 11 . 1 1 2 2 G N1 N 15 149.4759 . . 1 . . . . A 25 G N1 . 30511 1 12 . 1 1 3 3 G H1 H 1 12.2279 . . 1 . . . . A 26 G H1 . 30511 1 13 . 1 1 3 3 G H1' H 1 5.6527 . . 1 . . . . A 26 G H1' . 30511 1 14 . 1 1 3 3 G H8 H 1 7.1051 . . 1 . . . . A 26 G H8 . 30511 1 15 . 1 1 3 3 G C1' C 13 94.1895 . . 1 . . . . A 26 G C1' . 30511 1 16 . 1 1 3 3 G C8 C 13 135.0696 . . 1 . . . . A 26 G C8 . 30511 1 17 . 1 1 3 3 G N1 N 15 148.8125 . . 1 . . . . A 26 G N1 . 30511 1 18 . 1 1 4 4 A H1' H 1 5.868 . . 1 . . . . A 27 A H1' . 30511 1 19 . 1 1 4 4 A H2 H 1 7.7556 . . 1 . . . . A 27 A H2 . 30511 1 20 . 1 1 4 4 A H8 H 1 7.522 . . 1 . . . . A 27 A H8 . 30511 1 21 . 1 1 4 4 A C1' C 13 91.9259 . . 1 . . . . A 27 A C1' . 30511 1 22 . 1 1 4 4 A C2 C 13 154.06 . . 1 . . . . A 27 A C2 . 30511 1 23 . 1 1 4 4 A C8 C 13 140.8389 . . 1 . . . . A 27 A C8 . 30511 1 24 . 1 1 5 5 U H1' H 1 5.2119 . . 1 . . . . A 28 U H1' . 30511 1 25 . 1 1 5 5 U H3 H 1 11.7358 . . 1 . . . . A 28 U H3 . 30511 1 26 . 1 1 5 5 U H5 H 1 5.2048 . . 1 . . . . A 28 U H5 . 30511 1 27 . 1 1 5 5 U H6 H 1 7.4084 . . 1 . . . . A 28 U H6 . 30511 1 28 . 1 1 5 5 U C1' C 13 94.6782 . . 1 . . . . A 28 U C1' . 30511 1 29 . 1 1 5 5 U C5 C 13 102.8768 . . 1 . . . . A 28 U C5 . 30511 1 30 . 1 1 5 5 U N3 N 15 156.9298 . . 1 . . . . A 28 U N3 . 30511 1 31 . 1 1 6 6 C H1' H 1 5.2787 . . 1 . . . . A 29 C H1' . 30511 1 32 . 1 1 6 6 C H5 H 1 5.4341 . . 1 . . . . A 29 C H5 . 30511 1 33 . 1 1 6 6 C H6 H 1 7.6436 . . 1 . . . . A 29 C H6 . 30511 1 34 . 1 1 6 6 C H41 H 1 8.3346 . . 2 . . . . A 29 C H41 . 30511 1 35 . 1 1 6 6 C H42 H 1 6.6357 . . 2 . . . . A 29 C H42 . 30511 1 36 . 1 1 7 7 U H1' H 1 5.3882 . . 1 . . . . A 30 U H1' . 30511 1 37 . 1 1 7 7 U H3 H 1 11.5183 . . 1 . . . . A 30 U H3 . 30511 1 38 . 1 1 7 7 U H5 H 1 5.4687 . . 1 . . . . A 30 U H5 . 30511 1 39 . 1 1 7 7 U H6 H 1 7.6185 . . 1 . . . . A 30 U H6 . 30511 1 40 . 1 1 7 7 U C1' C 13 94.9134 . . 1 . . . . A 30 U C1' . 30511 1 41 . 1 1 7 7 U C5 C 13 103.6109 . . 1 . . . . A 30 U C5 . 30511 1 42 . 1 1 7 7 U C6 C 13 143.2827 . . 1 . . . . A 30 U C6 . 30511 1 43 . 1 1 7 7 U N3 N 15 155.5009 . . 1 . . . . A 30 U N3 . 30511 1 44 . 1 1 8 8 G H1 H 1 12.6975 . . 1 . . . . A 31 G H1 . 30511 1 45 . 1 1 8 8 G H1' H 1 5.5833 . . 1 . . . . A 31 G H1' . 30511 1 46 . 1 1 8 8 G H8 H 1 7.7412 . . 1 . . . . A 31 G H8 . 30511 1 47 . 1 1 8 8 G C1' C 13 94.1289 . . 1 . . . . A 31 G C1' . 30511 1 48 . 1 1 8 8 G C8 C 13 139.3753 . . 1 . . . . A 31 G C8 . 30511 1 49 . 1 1 8 8 G N1 N 15 149.5202 . . 1 . . . . A 31 G N1 . 30511 1 50 . 1 1 9 9 U H1' H 1 5.3274 . . 1 . . . . A 32 U H1' . 30511 1 51 . 1 1 9 9 U H3 H 1 11.9783 . . 1 . . . . A 32 U H3 . 30511 1 52 . 1 1 9 9 U H5 H 1 5.0515 . . 1 . . . . A 32 U H5 . 30511 1 53 . 1 1 9 9 U H6 H 1 7.4726 . . 1 . . . . A 32 U H6 . 30511 1 54 . 1 1 9 9 U C1' C 13 95.1044 . . 1 . . . . A 32 U C1' . 30511 1 55 . 1 1 9 9 U C5 C 13 101.3284 . . 1 . . . . A 32 U C5 . 30511 1 56 . 1 1 9 9 U C6 C 13 142.1218 . . 1 . . . . A 32 U C6 . 30511 1 57 . 1 1 9 9 U N3 N 15 156.6746 . . 1 . . . . A 32 U N3 . 30511 1 58 . 1 1 10 10 C H1' H 1 5.5349 . . 1 . . . . A 33 C H1' . 30511 1 59 . 1 1 10 10 C H5 H 1 5.4258 . . 1 . . . . A 33 C H5 . 30511 1 60 . 1 1 10 10 C H6 H 1 7.7236 . . 1 . . . . A 33 C H6 . 30511 1 61 . 1 1 10 10 C H41 H 1 8.1725 . . 2 . . . . A 33 C H41 . 30511 1 62 . 1 1 10 10 C H42 H 1 6.553 . . 2 . . . . A 33 C H42 . 30511 1 63 . 1 1 11 11 A H1' H 1 5.7211 . . 1 . . . . A 34 A H1' . 30511 1 64 . 1 1 11 11 A H2 H 1 8.0216 . . 1 . . . . A 34 A H2 . 30511 1 65 . 1 1 11 11 A H8 H 1 8.0695 . . 1 . . . . A 34 A H8 . 30511 1 66 . 1 1 11 11 A C1' C 13 91.3789 . . 1 . . . . A 34 A C1' . 30511 1 67 . 1 1 11 11 A C2 C 13 153.9673 . . 1 . . . . A 34 A C2 . 30511 1 68 . 1 1 11 11 A C8 C 13 138.3118 . . 1 . . . . A 34 A C8 . 30511 1 69 . 1 1 12 12 C H1' H 1 5.2126 . . 1 . . . . A 35 C H1' . 30511 1 70 . 1 1 12 12 C H5 H 1 5.0461 . . 1 . . . . A 35 C H5 . 30511 1 71 . 1 1 12 12 C H6 H 1 7.2473 . . 1 . . . . A 35 C H6 . 30511 1 72 . 1 1 12 12 C H41 H 1 8.3082 . . 2 . . . . A 35 C H41 . 30511 1 73 . 1 1 12 12 C H42 H 1 6.7253 . . 2 . . . . A 35 C H42 . 30511 1 74 . 1 1 13 13 C H1' H 1 5.4002 . . 1 . . . . A 36 C H1' . 30511 1 75 . 1 1 13 13 C H5 H 1 5.3766 . . 1 . . . . A 36 C H5 . 30511 1 76 . 1 1 13 13 C H6 H 1 7.2057 . . 1 . . . . A 36 C H6 . 30511 1 77 . 1 1 13 13 C H41 H 1 8.0996 . . 2 . . . . A 36 C H41 . 30511 1 78 . 1 1 13 13 C H42 H 1 6.7726 . . 2 . . . . A 36 C H42 . 30511 1 79 . 1 1 14 14 C H1' H 1 5.3337 . . 1 . . . . A 37 C H1' . 30511 1 80 . 1 1 14 14 C H5 H 1 5.3753 . . 1 . . . . A 37 C H5 . 30511 1 81 . 1 1 14 14 C H6 H 1 7.671 . . 1 . . . . A 37 C H6 . 30511 1 82 . 1 1 14 14 C H41 H 1 8.355 . . 2 . . . . A 37 C H41 . 30511 1 83 . 1 1 14 14 C H42 H 1 6.9269 . . 2 . . . . A 37 C H42 . 30511 1 84 . 1 1 15 15 C H1' H 1 5.088 . . 1 . . . . A 38 C H1' . 30511 1 85 . 1 1 15 15 C H5 H 1 5.3975 . . 1 . . . . A 38 C H5 . 30511 1 86 . 1 1 15 15 C H6 H 1 7.495 . . 1 . . . . A 38 C H6 . 30511 1 87 . 1 1 15 15 C H41 H 1 8.3729 . . 2 . . . . A 38 C H41 . 30511 1 88 . 1 1 15 15 C H42 H 1 6.6971 . . 2 . . . . A 38 C H42 . 30511 1 89 . 1 1 16 16 A H1' H 1 5.7538 . . 1 . . . . A 39 A H1' . 30511 1 90 . 1 1 16 16 A H2 H 1 6.4905 . . 1 . . . . A 39 A H2 . 30511 1 91 . 1 1 16 16 A H8 H 1 7.8492 . . 1 . . . . A 39 A H8 . 30511 1 92 . 1 1 16 16 A C1' C 13 91.4957 . . 1 . . . . A 39 A C1' . 30511 1 93 . 1 1 16 16 A C2 C 13 152.6463 . . 1 . . . . A 39 A C2 . 30511 1 94 . 1 1 17 17 U H1' H 1 5.8779 . . 1 . . . . A 40 U H1' . 30511 1 95 . 1 1 17 17 U H3 H 1 11.6917 . . 1 . . . . A 40 U H3 . 30511 1 96 . 1 1 17 17 U H5 H 1 5.6394 . . 1 . . . . A 40 U H5 . 30511 1 97 . 1 1 17 17 U H6 H 1 7.7403 . . 1 . . . . A 40 U H6 . 30511 1 98 . 1 1 17 17 U C1' C 13 91.7358 . . 1 . . . . A 40 U C1' . 30511 1 99 . 1 1 17 17 U C5 C 13 103.9203 . . 1 . . . . A 40 U C5 . 30511 1 100 . 1 1 17 17 U C6 C 13 144.347 . . 1 . . . . A 40 U C6 . 30511 1 101 . 1 1 17 17 U N3 N 15 155.0085 . . 1 . . . . A 40 U N3 . 30511 1 102 . 1 1 18 18 U H1' H 1 5.5668 . . 1 . . . . A 41 U H1' . 30511 1 103 . 1 1 18 18 U H5 H 1 5.586 . . 1 . . . . A 41 U H5 . 30511 1 104 . 1 1 18 18 U H6 H 1 7.7259 . . 1 . . . . A 41 U H6 . 30511 1 105 . 1 1 18 18 U C1' C 13 90.5724 . . 1 . . . . A 41 U C1' . 30511 1 106 . 1 1 18 18 U C5 C 13 103.9266 . . 1 . . . . A 41 U C5 . 30511 1 107 . 1 1 18 18 U C6 C 13 144.1727 . . 1 . . . . A 41 U C6 . 30511 1 108 . 1 1 19 19 G H1 H 1 11.9728 . . 1 . . . . A 42 G H1 . 30511 1 109 . 1 1 19 19 G H1' H 1 5.7028 . . 1 . . . . A 42 G H1' . 30511 1 110 . 1 1 19 19 G H8 H 1 7.636 . . 1 . . . . A 42 G H8 . 30511 1 111 . 1 1 19 19 G C1' C 13 94.1615 . . 1 . . . . A 42 G C1' . 30511 1 112 . 1 1 19 19 G C8 C 13 137.9472 . . 1 . . . . A 42 G C8 . 30511 1 113 . 1 1 19 19 G N1 N 15 146.9509 . . 1 . . . . A 42 G N1 . 30511 1 114 . 1 1 20 20 A H1' H 1 5.9643 . . 1 . . . . A 43 A H1' . 30511 1 115 . 1 1 20 20 A H2 H 1 7.8829 . . 1 . . . . A 43 A H2 . 30511 1 116 . 1 1 20 20 A H8 H 1 7.7496 . . 1 . . . . A 43 A H8 . 30511 1 117 . 1 1 20 20 A C1' C 13 92.0919 . . 1 . . . . A 43 A C1' . 30511 1 118 . 1 1 20 20 A C2 C 13 154.0276 . . 1 . . . . A 43 A C2 . 30511 1 119 . 1 1 21 21 U H1' H 1 5.5015 . . 1 . . . . A 44 U H1' . 30511 1 120 . 1 1 21 21 U H3 H 1 13.8273 . . 1 . . . . A 44 U H3 . 30511 1 121 . 1 1 21 21 U H5 H 1 4.8331 . . 1 . . . . A 44 U H5 . 30511 1 122 . 1 1 21 21 U H6 H 1 7.1901 . . 1 . . . . A 44 U H6 . 30511 1 123 . 1 1 21 21 U C1' C 13 91.9368 . . 1 . . . . A 44 U C1' . 30511 1 124 . 1 1 21 21 U C5 C 13 100.7536 . . 1 . . . . A 44 U C5 . 30511 1 125 . 1 1 21 21 U C6 C 13 141.3643 . . 1 . . . . A 44 U C6 . 30511 1 126 . 1 1 21 21 U N3 N 15 165.1969 . . 1 . . . . A 44 U N3 . 30511 1 127 . 1 1 22 22 C H1' H 1 5.3316 . . 1 . . . . A 45 C H1' . 30511 1 128 . 1 1 22 22 C H5 H 1 5.4507 . . 1 . . . . A 45 C H5 . 30511 1 129 . 1 1 22 22 C H6 H 1 7.666 . . 1 . . . . A 45 C H6 . 30511 1 130 . 1 1 22 22 C H41 H 1 7.8414 . . 2 . . . . A 45 C H41 . 30511 1 131 . 1 1 22 22 C H42 H 1 6.1771 . . 2 . . . . A 45 C H42 . 30511 1 132 . 1 1 23 23 G H1 H 1 12.2283 . . 1 . . . . A 46 G H1 . 30511 1 133 . 1 1 23 23 G H1' H 1 5.4956 . . 1 . . . . A 46 G H1' . 30511 1 134 . 1 1 23 23 G H8 H 1 7.2477 . . 1 . . . . A 46 G H8 . 30511 1 135 . 1 1 23 23 G C1' C 13 94.6013 . . 1 . . . . A 46 G C1' . 30511 1 136 . 1 1 23 23 G C8 C 13 134.4692 . . 1 . . . . A 46 G C8 . 30511 1 137 . 1 1 23 23 G N1 N 15 148.766 . . 1 . . . . A 46 G N1 . 30511 1 138 . 1 1 24 24 C H1' H 1 5.2923 . . 1 . . . . A 47 C H1' . 30511 1 139 . 1 1 24 24 C H5 H 1 5.041 . . 1 . . . . A 47 C H5 . 30511 1 140 . 1 1 24 24 C H6 H 1 7.5743 . . 1 . . . . A 47 C H6 . 30511 1 141 . 1 1 24 24 C H41 H 1 8.4014 . . 2 . . . . A 47 C H41 . 30511 1 142 . 1 1 24 24 C H42 H 1 6.8052 . . 2 . . . . A 47 C H42 . 30511 1 143 . 1 1 25 25 C H1' H 1 5.455 . . 1 . . . . A 48 C H1' . 30511 1 144 . 1 1 25 25 C H5 H 1 5.3542 . . 1 . . . . A 48 C H5 . 30511 1 145 . 1 1 25 25 C H6 H 1 7.5984 . . 1 . . . . A 48 C H6 . 30511 1 146 . 1 1 25 25 C H41 H 1 7.9997 . . 2 . . . . A 48 C H41 . 30511 1 147 . 1 1 25 25 C H42 H 1 6.7613 . . 2 . . . . A 48 C H42 . 30511 1 148 . 1 1 26 26 G H1 H 1 10.3298 . . 1 . . . . A 49 G H1 . 30511 1 149 . 1 1 26 26 G H1' H 1 5.5769 . . 1 . . . . A 49 G H1' . 30511 1 150 . 1 1 26 26 G H8 H 1 7.3385 . . 1 . . . . A 49 G H8 . 30511 1 151 . 1 1 26 26 G C1' C 13 95.2265 . . 1 . . . . A 49 G C1' . 30511 1 152 . 1 1 26 26 G C8 C 13 136.4835 . . 1 . . . . A 49 G C8 . 30511 1 153 . 1 1 26 26 G N1 N 15 146.8733 . . 1 . . . . A 49 G N1 . 30511 1 154 . 1 1 27 27 A H1' H 1 5.5493 . . 1 . . . . A 50 A H1' . 30511 1 155 . 1 1 27 27 A H2 H 1 7.7851 . . 1 . . . . A 50 A H2 . 30511 1 156 . 1 1 27 27 A H8 H 1 8.1244 . . 1 . . . . A 50 A H8 . 30511 1 157 . 1 1 27 27 A C1' C 13 90.9117 . . 1 . . . . A 50 A C1' . 30511 1 158 . 1 1 27 27 A C2 C 13 154.06 . . 1 . . . . A 50 A C2 . 30511 1 159 . 1 1 27 27 A C8 C 13 139.9553 . . 1 . . . . A 50 A C8 . 30511 1 160 . 1 1 28 28 G H1 H 1 10.2752 . . 1 . . . . A 51 G H1 . 30511 1 161 . 1 1 28 28 G H1' H 1 4.963 . . 1 . . . . A 51 G H1' . 30511 1 162 . 1 1 28 28 G H8 H 1 7.421 . . 1 . . . . A 51 G H8 . 30511 1 163 . 1 1 28 28 G C1' C 13 93.4042 . . 1 . . . . A 51 G C1' . 30511 1 164 . 1 1 28 28 G C8 C 13 136.4641 . . 1 . . . . A 51 G C8 . 30511 1 165 . 1 1 28 28 G N1 N 15 148.0981 . . 1 . . . . A 51 G N1 . 30511 1 166 . 1 1 29 29 A H1' H 1 5.9433 . . 1 . . . . A 52 A H1' . 30511 1 167 . 1 1 29 29 A H2 H 1 8.0815 . . 1 . . . . A 52 A H2 . 30511 1 168 . 1 1 29 29 A H8 H 1 8.051 . . 1 . . . . A 52 A H8 . 30511 1 169 . 1 1 29 29 A C1' C 13 90.1803 . . 1 . . . . A 52 A C1' . 30511 1 170 . 1 1 29 29 A C2 C 13 155.6473 . . 1 . . . . A 52 A C2 . 30511 1 171 . 1 1 29 29 A C8 C 13 138.4242 . . 1 . . . . A 52 A C8 . 30511 1 172 . 1 1 30 30 G H1 H 1 12.4375 . . 1 . . . . A 60 G H1 . 30511 1 173 . 1 1 30 30 G H1' H 1 5.6511 . . 1 . . . . A 60 G H1' . 30511 1 174 . 1 1 30 30 G H8 H 1 7.8328 . . 1 . . . . A 60 G H8 . 30511 1 175 . 1 1 30 30 G C1' C 13 95.2252 . . 1 . . . . A 60 G C1' . 30511 1 176 . 1 1 30 30 G C8 C 13 139.546 . . 1 . . . . A 60 G C8 . 30511 1 177 . 1 1 30 30 G N1 N 15 147.8429 . . 1 . . . . A 60 G N1 . 30511 1 178 . 1 1 31 31 G H1 H 1 13.1346 . . 1 . . . . A 61 G H1 . 30511 1 179 . 1 1 31 31 G H1' H 1 5.6694 . . 1 . . . . A 61 G H1' . 30511 1 180 . 1 1 31 31 G H8 H 1 7.0339 . . 1 . . . . A 61 G H8 . 30511 1 181 . 1 1 31 31 G C1' C 13 94.1992 . . 1 . . . . A 61 G C1' . 30511 1 182 . 1 1 31 31 G C8 C 13 134.9507 . . 1 . . . . A 61 G C8 . 30511 1 183 . 1 1 31 31 G N1 N 15 150.9048 . . 1 . . . . A 61 G N1 . 30511 1 184 . 1 1 32 32 C H1' H 1 5.3733 . . 1 . . . . A 62 C H1' . 30511 1 185 . 1 1 32 32 C H5 H 1 4.95 . . 1 . . . . A 62 C H5 . 30511 1 186 . 1 1 32 32 C H6 H 1 7.2501 . . 1 . . . . A 62 C H6 . 30511 1 187 . 1 1 32 32 C H41 H 1 8.3837 . . 2 . . . . A 62 C H41 . 30511 1 188 . 1 1 32 32 C H42 H 1 6.9219 . . 2 . . . . A 62 C H42 . 30511 1 189 . 1 1 33 33 U H1' H 1 5.8739 . . 1 . . . . A 63 U H1' . 30511 1 190 . 1 1 33 33 U H3 H 1 10.4402 . . 1 . . . . A 63 U H3 . 30511 1 191 . 1 1 33 33 U H5 H 1 5.5868 . . 1 . . . . A 63 U H5 . 30511 1 192 . 1 1 33 33 U H6 H 1 7.7043 . . 1 . . . . A 63 U H6 . 30511 1 193 . 1 1 33 33 U C1' C 13 91.9261 . . 1 . . . . A 63 U C1' . 30511 1 194 . 1 1 33 33 U C5 C 13 103.9305 . . 1 . . . . A 63 U C5 . 30511 1 195 . 1 1 33 33 U C6 C 13 144.2695 . . 1 . . . . A 63 U C6 . 30511 1 196 . 1 1 33 33 U N3 N 15 154.0206 . . 1 . . . . A 63 U N3 . 30511 1 197 . 1 1 34 34 G H1 H 1 11.9554 . . 1 . . . . A 64 G H1 . 30511 1 198 . 1 1 34 34 G H1' H 1 5.8609 . . 1 . . . . A 64 G H1' . 30511 1 199 . 1 1 34 34 G H8 H 1 7.808 . . 1 . . . . A 64 G H8 . 30511 1 200 . 1 1 34 34 G C1' C 13 94.055 . . 1 . . . . A 64 G C1' . 30511 1 201 . 1 1 34 34 G C8 C 13 137.8792 . . 1 . . . . A 64 G C8 . 30511 1 202 . 1 1 34 34 G N1 N 15 146.7944 . . 1 . . . . A 64 G N1 . 30511 1 203 . 1 1 35 35 A H1' H 1 5.9452 . . 1 . . . . A 65 A H1' . 30511 1 204 . 1 1 35 35 A H2 H 1 7.6965 . . 1 . . . . A 65 A H2 . 30511 1 205 . 1 1 35 35 A H8 H 1 7.7493 . . 1 . . . . A 65 A H8 . 30511 1 206 . 1 1 35 35 A C1' C 13 92.055 . . 1 . . . . A 65 A C1' . 30511 1 207 . 1 1 35 35 A C2 C 13 153.6471 . . 1 . . . . A 65 A C2 . 30511 1 208 . 1 1 36 36 U H1' H 1 5.6221 . . 1 . . . . A 66 U H1' . 30511 1 209 . 1 1 36 36 U H3 H 1 14.0293 . . 1 . . . . A 66 U H3 . 30511 1 210 . 1 1 36 36 U H5 H 1 5.4592 . . 1 . . . . A 66 U H5 . 30511 1 211 . 1 1 36 36 U H6 H 1 7.3889 . . 1 . . . . A 66 U H6 . 30511 1 212 . 1 1 36 36 U C1' C 13 91.6765 . . 1 . . . . A 66 U C1' . 30511 1 213 . 1 1 36 36 U C5 C 13 103.7069 . . 1 . . . . A 66 U C5 . 30511 1 214 . 1 1 36 36 U C6 C 13 141.6742 . . 1 . . . . A 66 U C6 . 30511 1 215 . 1 1 36 36 U N3 N 15 164.0742 . . 1 . . . . A 66 U N3 . 30511 1 216 . 1 1 37 37 C H1' H 1 5.0415 . . 1 . . . . A 67 C H1' . 30511 1 217 . 1 1 37 37 C H5 H 1 5.257 . . 1 . . . . A 67 C H5 . 30511 1 218 . 1 1 37 37 C H6 H 1 7.2767 . . 1 . . . . A 67 C H6 . 30511 1 219 . 1 1 37 37 C H41 H 1 8.0951 . . 2 . . . . A 67 C H41 . 30511 1 220 . 1 1 37 37 C H42 H 1 6.5106 . . 2 . . . . A 67 C H42 . 30511 1 221 . 1 1 38 38 U H1' H 1 5.611 . . 1 . . . . A 68 U H1' . 30511 1 222 . 1 1 38 38 U H3 H 1 13.1917 . . 1 . . . . A 68 U H3 . 30511 1 223 . 1 1 38 38 U H5 H 1 5.2098 . . 1 . . . . A 68 U H5 . 30511 1 224 . 1 1 38 38 U H6 H 1 7.7277 . . 1 . . . . A 68 U H6 . 30511 1 225 . 1 1 38 38 U C1' C 13 92.5758 . . 1 . . . . A 68 U C1' . 30511 1 226 . 1 1 38 38 U C5 C 13 102.291 . . 1 . . . . A 68 U C5 . 30511 1 227 . 1 1 38 38 U C6 C 13 144.3953 . . 1 . . . . A 68 U C6 . 30511 1 228 . 1 1 38 38 U N3 N 15 162.8096 . . 1 . . . . A 68 U N3 . 30511 1 229 . 1 1 39 39 G H1 H 1 12.4181 . . 1 . . . . A 69 G H1 . 30511 1 230 . 1 1 39 39 G H1' H 1 5.4486 . . 1 . . . . A 69 G H1' . 30511 1 231 . 1 1 39 39 G H8 H 1 6.6086 . . 1 . . . . A 69 G H8 . 30511 1 232 . 1 1 39 39 G C1' C 13 95.2265 . . 1 . . . . A 69 G C1' . 30511 1 233 . 1 1 39 39 G C8 C 13 139.5793 . . 1 . . . . A 69 G C8 . 30511 1 234 . 1 1 39 39 G N1 N 15 149.3548 . . 1 . . . . A 69 G N1 . 30511 1 235 . 1 1 40 40 G H1 H 1 12.561 . . 1 . . . . A 70 G H1 . 30511 1 236 . 1 1 40 40 G H1' H 1 5.6732 . . 1 . . . . A 70 G H1' . 30511 1 237 . 1 1 40 40 G H8 H 1 7.452 . . 1 . . . . A 70 G H8 . 30511 1 238 . 1 1 40 40 G C1' C 13 94.1905 . . 1 . . . . A 70 G C1' . 30511 1 239 . 1 1 40 40 G C8 C 13 135.2359 . . 1 . . . . A 70 G C8 . 30511 1 240 . 1 1 40 40 G N1 N 15 149.8656 . . 1 . . . . A 70 G N1 . 30511 1 241 . 1 1 41 41 RY H1' H 1 5.9206 . . 1 . . . . A 71 RY H1' . 30511 1 242 . 1 1 41 41 RY H5 H 1 5.8341 . . 1 . . . . A 71 RY H5 . 30511 1 243 . 1 1 41 41 RY H6 H 1 7.5543 . . 1 . . . . A 71 RY H6 . 30511 1 244 . 1 1 42 42 U H1' H 1 5.8567 . . 1 . . . . A 72 U H1' . 30511 1 245 . 1 1 42 42 U H5 H 1 5.7996 . . 1 . . . . A 72 U H5 . 30511 1 246 . 1 1 42 42 U H6 H 1 7.6989 . . 1 . . . . A 72 U H6 . 30511 1 247 . 1 1 42 42 U C1' C 13 92.1368 . . 1 . . . . A 72 U C1' . 30511 1 248 . 1 1 42 42 U C5 C 13 104.5421 . . 1 . . . . A 72 U C5 . 30511 1 249 . 1 1 42 42 U C6 C 13 144.5213 . . 1 . . . . A 72 U C6 . 30511 1 250 . 1 1 43 43 G H1 H 1 12.2211 . . 1 . . . . A 73 G H1 . 30511 1 251 . 1 1 43 43 G H1' H 1 5.6431 . . 1 . . . . A 73 G H1' . 30511 1 252 . 1 1 43 43 G H8 H 1 7.418 . . 1 . . . . A 73 G H8 . 30511 1 253 . 1 1 43 43 G C1' C 13 95.2383 . . 1 . . . . A 73 G C1' . 30511 1 254 . 1 1 43 43 G C8 C 13 134.5509 . . 1 . . . . A 73 G C8 . 30511 1 255 . 1 1 43 43 G N1 N 15 148.5588 . . 1 . . . . A 73 G N1 . 30511 1 256 . 1 1 44 44 G H1 H 1 13.1142 . . 1 . . . . A 74 G H1 . 30511 1 257 . 1 1 44 44 G H1' H 1 5.7594 . . 1 . . . . A 74 G H1' . 30511 1 258 . 1 1 44 44 G H8 H 1 7.4682 . . 1 . . . . A 74 G H8 . 30511 1 259 . 1 1 44 44 G C1' C 13 94.2185 . . 1 . . . . A 74 G C1' . 30511 1 260 . 1 1 44 44 G C8 C 13 134.6832 . . 1 . . . . A 74 G C8 . 30511 1 261 . 1 1 44 44 G N1 N 15 150.2731 . . 1 . . . . A 74 G N1 . 30511 1 262 . 1 1 45 45 RY H1' H 1 5.6698 . . 1 . . . . A 75 RY H1' . 30511 1 263 . 1 1 45 45 RY H5 H 1 5.2911 . . 1 . . . . A 75 RY H5 . 30511 1 264 . 1 1 45 45 RY H6 H 1 7.4889 . . 1 . . . . A 75 RY H6 . 30511 1 265 . 1 1 46 46 U H1' H 1 5.7524 . . 1 . . . . A 76 U H1' . 30511 1 266 . 1 1 46 46 U H5 H 1 5.6691 . . 1 . . . . A 76 U H5 . 30511 1 267 . 1 1 46 46 U H6 H 1 7.6505 . . 1 . . . . A 76 U H6 . 30511 1 268 . 1 1 46 46 U C1' C 13 92.3307 . . 1 . . . . A 76 U C1' . 30511 1 269 . 1 1 46 46 U C5 C 13 104.0104 . . 1 . . . . A 76 U C5 . 30511 1 270 . 1 1 46 46 U C6 C 13 144.5213 . . 1 . . . . A 76 U C6 . 30511 1 271 . 1 1 47 47 A H1' H 1 5.9649 . . 1 . . . . A 77 A H1' . 30511 1 272 . 1 1 47 47 A H8 H 1 8.248 . . 1 . . . . A 77 A H8 . 30511 1 273 . 1 1 47 47 A C1' C 13 90.1864 . . 1 . . . . A 77 A C1' . 30511 1 274 . 1 1 47 47 A C8 C 13 140.0268 . . 1 . . . . A 77 A C8 . 30511 1 275 . 1 1 48 48 G H1 H 1 12.2302 . . 1 . . . . A 78 G H1 . 30511 1 276 . 1 1 48 48 G H1' H 1 5.752 . . 1 . . . . A 78 G H1' . 30511 1 277 . 1 1 48 48 G H8 H 1 7.8534 . . 1 . . . . A 78 G H8 . 30511 1 278 . 1 1 48 48 G C1' C 13 94.1689 . . 1 . . . . A 78 G C1' . 30511 1 279 . 1 1 48 48 G C8 C 13 136.179 . . 1 . . . . A 78 G C8 . 30511 1 280 . 1 1 48 48 G N1 N 15 142.165 . . 1 . . . . A 78 G N1 . 30511 1 281 . 1 1 49 49 G H1 H 1 11.1906 . . 1 . . . . A 79 G H1 . 30511 1 282 . 1 1 49 49 G H1' H 1 5.4544 . . 1 . . . . A 79 G H1' . 30511 1 283 . 1 1 49 49 G H8 H 1 7.3192 . . 1 . . . . A 79 G H8 . 30511 1 284 . 1 1 49 49 G C1' C 13 95.2028 . . 1 . . . . A 79 G C1' . 30511 1 285 . 1 1 49 49 G C8 C 13 134.6692 . . 1 . . . . A 79 G C8 . 30511 1 286 . 1 1 49 49 G N1 N 15 143.8625 . . 1 . . . . A 79 G N1 . 30511 1 287 . 1 1 50 50 C H1' H 1 5.2607 . . 1 . . . . A 80 C H1' . 30511 1 288 . 1 1 50 50 C H5 H 1 5.2064 . . 1 . . . . A 80 C H5 . 30511 1 289 . 1 1 50 50 C H6 H 1 7.4033 . . 1 . . . . A 80 C H6 . 30511 1 290 . 1 1 50 50 C H41 H 1 8.478 . . 2 . . . . A 80 C H41 . 30511 1 291 . 1 1 50 50 C H42 H 1 6.655 . . 2 . . . . A 80 C H42 . 30511 1 292 . 1 1 51 51 G H1 H 1 10.2089 . . 1 . . . . A 81 G H1 . 30511 1 293 . 1 1 51 51 G H1' H 1 5.6207 . . 1 . . . . A 81 G H1' . 30511 1 294 . 1 1 51 51 G H8 H 1 7.2241 . . 1 . . . . A 81 G H8 . 30511 1 295 . 1 1 51 51 G C1' C 13 94.1649 . . 1 . . . . A 81 G C1' . 30511 1 296 . 1 1 51 51 G C8 C 13 134.4111 . . 1 . . . . A 81 G C8 . 30511 1 297 . 1 1 51 51 G N1 N 15 139.5788 . . 1 . . . . A 81 G N1 . 30511 1 298 . 1 1 52 52 G H1 H 1 12.5701 . . 1 . . . . A 82 G H1 . 30511 1 299 . 1 1 52 52 G H1' H 1 5.6358 . . 1 . . . . A 82 G H1' . 30511 1 300 . 1 1 52 52 G H8 H 1 7.147 . . 1 . . . . A 82 G H8 . 30511 1 301 . 1 1 52 52 G C1' C 13 94.1872 . . 1 . . . . A 82 G C1' . 30511 1 302 . 1 1 52 52 G C8 C 13 135.1074 . . 1 . . . . A 82 G C8 . 30511 1 303 . 1 1 52 52 G N1 N 15 150.0373 . . 1 . . . . A 82 G N1 . 30511 1 304 . 1 1 53 53 G H1 H 1 11.3435 . . 1 . . . . A 83 G H1 . 30511 1 305 . 1 1 53 53 G H1' H 1 5.6665 . . 1 . . . . A 83 G H1' . 30511 1 306 . 1 1 53 53 G H8 H 1 7.0621 . . 1 . . . . A 83 G H8 . 30511 1 307 . 1 1 53 53 G C1' C 13 94.2084 . . 1 . . . . A 83 G C1' . 30511 1 308 . 1 1 53 53 G C8 C 13 135.0898 . . 1 . . . . A 83 G C8 . 30511 1 309 . 1 1 53 53 G N1 N 15 143.6461 . . 1 . . . . A 83 G N1 . 30511 1 310 . 1 1 54 54 U H1' H 1 5.3344 . . 1 . . . . A 84 U H1' . 30511 1 311 . 1 1 54 54 U H3 H 1 14.2667 . . 1 . . . . A 84 U H3 . 30511 1 312 . 1 1 54 54 U H5 H 1 5.0443 . . 1 . . . . A 84 U H5 . 30511 1 313 . 1 1 54 54 U H6 H 1 7.6616 . . 1 . . . . A 84 U H6 . 30511 1 314 . 1 1 54 54 U C1' C 13 94.4912 . . 1 . . . . A 84 U C1' . 30511 1 315 . 1 1 54 54 U C5 C 13 101.3521 . . 1 . . . . A 84 U C5 . 30511 1 316 . 1 1 54 54 U C6 C 13 143.5142 . . 1 . . . . A 84 U C6 . 30511 1 317 . 1 1 54 54 U N3 N 15 165.9741 . . 1 . . . . A 84 U N3 . 30511 1 318 . 1 1 55 55 C H1' H 1 5.4559 . . 1 . . . . A 85 C H1' . 30511 1 319 . 1 1 55 55 C H5 H 1 5.4979 . . 1 . . . . A 85 C H5 . 30511 1 320 . 1 1 55 55 C H6 H 1 7.8033 . . 1 . . . . A 85 C H6 . 30511 1 321 . 1 1 55 55 C H41 H 1 8.2976 . . 2 . . . . A 85 C H41 . 30511 1 322 . 1 1 55 55 C H42 H 1 6.8648 . . 2 . . . . A 85 C H42 . 30511 1 323 . 1 1 56 56 C H1' H 1 5.4177 . . 1 . . . . A 86 C H1' . 30511 1 324 . 1 1 56 56 C H5 H 1 5.3337 . . 1 . . . . A 86 C H5 . 30511 1 325 . 1 1 56 56 C H6 H 1 7.6994 . . 1 . . . . A 86 C H6 . 30511 1 326 . 1 1 56 56 C H41 H 1 8.2048 . . 2 . . . . A 86 C H41 . 30511 1 327 . 1 1 56 56 C H42 H 1 6.7868 . . 2 . . . . A 86 C H42 . 30511 1 328 . 1 1 57 57 C H1' H 1 5.5864 . . 1 . . . . A 87 C H1' . 30511 1 329 . 1 1 57 57 C H5 H 1 5.3563 . . 1 . . . . A 87 C H5 . 30511 1 330 . 1 1 57 57 C H6 H 1 7.5429 . . 1 . . . . A 87 C H6 . 30511 1 331 . 2 2 1 1 GLY H H 1 8.2179 . . 1 . . . . B 44 GLY H1 . 30511 1 332 . 2 2 1 1 GLY HA2 H 1 3.7355 . . 2 . . . . B 44 GLY HA2 . 30511 1 333 . 2 2 2 2 ILE H H 1 8.3922 . . 1 . . . . B 45 ILE H . 30511 1 334 . 2 2 2 2 ILE HA H 1 4.0353 . . 1 . . . . B 45 ILE HA . 30511 1 335 . 2 2 2 2 ILE HB H 1 1.6108 . . 1 . . . . B 45 ILE HB . 30511 1 336 . 2 2 2 2 ILE HG12 H 1 1.2855 . . 2 . . . . B 45 ILE HG12 . 30511 1 337 . 2 2 2 2 ILE HG13 H 1 1.2449 . . 2 . . . . B 45 ILE HG13 . 30511 1 338 . 2 2 2 2 ILE HG21 H 1 0.9857 . . 1 . . . . B 45 ILE HG21 . 30511 1 339 . 2 2 2 2 ILE HG22 H 1 0.9857 . . 1 . . . . B 45 ILE HG22 . 30511 1 340 . 2 2 2 2 ILE HG23 H 1 0.9857 . . 1 . . . . B 45 ILE HG23 . 30511 1 341 . 2 2 2 2 ILE HD11 H 1 0.6498 . . 1 . . . . B 45 ILE HD11 . 30511 1 342 . 2 2 2 2 ILE HD12 H 1 0.6498 . . 1 . . . . B 45 ILE HD12 . 30511 1 343 . 2 2 2 2 ILE HD13 H 1 0.6498 . . 1 . . . . B 45 ILE HD13 . 30511 1 344 . 2 2 3 3 SER H H 1 8.2825 . . 1 . . . . B 46 SER H . 30511 1 345 . 2 2 3 3 SER HA H 1 4.3312 . . 1 . . . . B 46 SER HA . 30511 1 346 . 2 2 3 3 SER HB2 H 1 3.6646 . . 2 . . . . B 46 SER HB2 . 30511 1 347 . 2 2 3 3 SER HB3 H 1 3.7037 . . 2 . . . . B 46 SER HB3 . 30511 1 348 . 2 2 4 4 TYR H H 1 8.2141 . . 1 . . . . B 47 TYR H . 30511 1 349 . 2 2 4 4 TYR HA H 1 4.3997 . . 1 . . . . B 47 TYR HA . 30511 1 350 . 2 2 4 4 TYR HB2 H 1 2.7819 . . 2 . . . . B 47 TYR HB2 . 30511 1 351 . 2 2 4 4 TYR HB3 H 1 2.9513 . . 2 . . . . B 47 TYR HB3 . 30511 1 352 . 2 2 4 4 TYR HD1 H 1 6.9889 . . 3 . . . . B 47 TYR HD1 . 30511 1 353 . 2 2 4 4 TYR HD2 H 1 6.9841 . . 3 . . . . B 47 TYR HD2 . 30511 1 354 . 2 2 4 4 TYR HE1 H 1 6.6761 . . 3 . . . . B 47 TYR HE1 . 30511 1 355 . 2 2 4 4 TYR HE2 H 1 6.6825 . . 3 . . . . B 47 TYR HE2 . 30511 1 356 . 2 2 5 5 GLY H H 1 8.2179 . . 1 . . . . B 48 GLY H . 30511 1 357 . 2 2 5 5 GLY HA2 H 1 3.7115 . . 2 . . . . B 48 GLY HA2 . 30511 1 358 . 2 2 6 6 ARG H H 1 7.8164 . . 1 . . . . B 49 ARG H . 30511 1 359 . 2 2 6 6 ARG HA H 1 4.1995 . . 1 . . . . B 49 ARG HA . 30511 1 360 . 2 2 6 6 ARG HB2 H 1 1.6706 . . 2 . . . . B 49 ARG HB2 . 30511 1 361 . 2 2 6 6 ARG HB3 H 1 1.6563 . . 2 . . . . B 49 ARG HB3 . 30511 1 362 . 2 2 6 6 ARG HG2 H 1 1.4667 . . 2 . . . . B 49 ARG HG2 . 30511 1 363 . 2 2 6 6 ARG HG3 H 1 1.4315 . . 2 . . . . B 49 ARG HG3 . 30511 1 364 . 2 2 6 6 ARG HD2 H 1 3.1208 . . 2 . . . . B 49 ARG HD2 . 30511 1 365 . 2 2 6 6 ARG HD3 H 1 3.0902 . . 2 . . . . B 49 ARG HD3 . 30511 1 366 . 2 2 6 6 ARG HE H 1 6.926 . . 1 . . . . B 49 ARG HE . 30511 1 367 . 2 2 6 6 ARG CA C 13 55.2095 . . 1 . . . . B 49 ARG CA . 30511 1 368 . 2 2 6 6 ARG CB C 13 31.0759 . . 1 . . . . B 49 ARG CB . 30511 1 369 . 2 2 6 6 ARG CG C 13 27.0767 . . 1 . . . . B 49 ARG CG . 30511 1 370 . 2 2 6 6 ARG CD C 13 43.1732 . . 1 . . . . B 49 ARG CD . 30511 1 371 . 2 2 6 6 ARG N N 15 120.1776 . . 1 . . . . B 49 ARG N . 30511 1 372 . 2 2 6 6 ARG NE N 15 84.7242 . . 1 . . . . B 49 ARG NE . 30511 1 373 . 2 2 7 7 LYS H H 1 8.3041 . . 1 . . . . B 50 LYS H . 30511 1 374 . 2 2 7 7 LYS HA H 1 4.1437 . . 1 . . . . B 50 LYS HA . 30511 1 375 . 2 2 7 7 LYS HB2 H 1 1.6018 . . 2 . . . . B 50 LYS HB2 . 30511 1 376 . 2 2 7 7 LYS HB3 H 1 1.545 . . 2 . . . . B 50 LYS HB3 . 30511 1 377 . 2 2 7 7 LYS HG2 H 1 1.2623 . . 2 . . . . B 50 LYS HG2 . 30511 1 378 . 2 2 7 7 LYS HG3 H 1 1.2298 . . 2 . . . . B 50 LYS HG3 . 30511 1 379 . 2 2 7 7 LYS HD2 H 1 1.5228 . . 2 . . . . B 50 LYS HD2 . 30511 1 380 . 2 2 7 7 LYS HD3 H 1 1.5029 . . 2 . . . . B 50 LYS HD3 . 30511 1 381 . 2 2 7 7 LYS HE2 H 1 2.8722 . . 2 . . . . B 50 LYS HE2 . 30511 1 382 . 2 2 7 7 LYS HE3 H 1 2.8295 . . 2 . . . . B 50 LYS HE3 . 30511 1 383 . 2 2 7 7 LYS HZ1 H 1 7.4648 . . 1 . . . . B 50 LYS HZ1 . 30511 1 384 . 2 2 7 7 LYS HZ2 H 1 7.4648 . . 1 . . . . B 50 LYS HZ2 . 30511 1 385 . 2 2 7 7 LYS HZ3 H 1 7.4648 . . 1 . . . . B 50 LYS HZ3 . 30511 1 386 . 2 2 7 7 LYS CA C 13 55.905 . . 1 . . . . B 50 LYS CA . 30511 1 387 . 2 2 7 7 LYS CB C 13 32.9099 . . 1 . . . . B 50 LYS CB . 30511 1 388 . 2 2 7 7 LYS CG C 13 24.5475 . . 1 . . . . B 50 LYS CG . 30511 1 389 . 2 2 7 7 LYS CD C 13 28.9999 . . 1 . . . . B 50 LYS CD . 30511 1 390 . 2 2 7 7 LYS CE C 13 41.8043 . . 1 . . . . B 50 LYS CE . 30511 1 391 . 2 2 7 7 LYS N N 15 123.5282 . . 1 . . . . B 50 LYS N . 30511 1 392 . 2 2 7 7 LYS NZ N 15 47.3444 . . 1 . . . . B 50 LYS NZ . 30511 1 393 . 2 2 8 8 LYS H H 1 8.248 . . 1 . . . . B 51 LYS H . 30511 1 394 . 2 2 8 8 LYS HA H 1 3.9599 . . 1 . . . . B 51 LYS HA . 30511 1 395 . 2 2 8 8 LYS HB2 H 1 1.5889 . . 2 . . . . B 51 LYS HB2 . 30511 1 396 . 2 2 8 8 LYS HB3 H 1 1.5525 . . 2 . . . . B 51 LYS HB3 . 30511 1 397 . 2 2 8 8 LYS HG2 H 1 1.177 . . 2 . . . . B 51 LYS HG2 . 30511 1 398 . 2 2 8 8 LYS HG3 H 1 1.1266 . . 2 . . . . B 51 LYS HG3 . 30511 1 399 . 2 2 8 8 LYS HD2 H 1 1.5242 . . 2 . . . . B 51 LYS HD2 . 30511 1 400 . 2 2 8 8 LYS HD3 H 1 1.4923 . . 2 . . . . B 51 LYS HD3 . 30511 1 401 . 2 2 8 8 LYS HE2 H 1 2.6666 . . 2 . . . . B 51 LYS HE2 . 30511 1 402 . 2 2 8 8 LYS HE3 H 1 2.5369 . . 2 . . . . B 51 LYS HE3 . 30511 1 403 . 2 2 8 8 LYS HZ1 H 1 7.5735 . . 1 . . . . B 51 LYS HZ1 . 30511 1 404 . 2 2 8 8 LYS HZ2 H 1 7.5735 . . 1 . . . . B 51 LYS HZ2 . 30511 1 405 . 2 2 8 8 LYS HZ3 H 1 7.5735 . . 1 . . . . B 51 LYS HZ3 . 30511 1 406 . 2 2 8 8 LYS CA C 13 56.0845 . . 1 . . . . B 51 LYS CA . 30511 1 407 . 2 2 8 8 LYS CB C 13 33.1599 . . 1 . . . . B 51 LYS CB . 30511 1 408 . 2 2 8 8 LYS CG C 13 24.3261 . . 1 . . . . B 51 LYS CG . 30511 1 409 . 2 2 8 8 LYS CD C 13 28.8473 . . 1 . . . . B 51 LYS CD . 30511 1 410 . 2 2 8 8 LYS CE C 13 41.8676 . . 1 . . . . B 51 LYS CE . 30511 1 411 . 2 2 8 8 LYS N N 15 125.4019 . . 1 . . . . B 51 LYS N . 30511 1 412 . 2 2 8 8 LYS NZ N 15 47.1983 . . 1 . . . . B 51 LYS NZ . 30511 1 413 . 2 2 9 9 ARG H H 1 8.2744 . . 1 . . . . B 52 ARG H . 30511 1 414 . 2 2 9 9 ARG HA H 1 4.0927 . . 1 . . . . B 52 ARG HA . 30511 1 415 . 2 2 9 9 ARG HB2 H 1 1.4539 . . 2 . . . . B 52 ARG HB2 . 30511 1 416 . 2 2 9 9 ARG HB3 H 1 1.3432 . . 2 . . . . B 52 ARG HB3 . 30511 1 417 . 2 2 9 9 ARG HG2 H 1 1.3442 . . 2 . . . . B 52 ARG HG2 . 30511 1 418 . 2 2 9 9 ARG HG3 H 1 1.2956 . . 2 . . . . B 52 ARG HG3 . 30511 1 419 . 2 2 9 9 ARG HD2 H 1 2.8315 . . 2 . . . . B 52 ARG HD2 . 30511 1 420 . 2 2 9 9 ARG HD3 H 1 2.7182 . . 2 . . . . B 52 ARG HD3 . 30511 1 421 . 2 2 9 9 ARG HE H 1 7.2176 . . 1 . . . . B 52 ARG HE . 30511 1 422 . 2 2 9 9 ARG CA C 13 56.0239 . . 1 . . . . B 52 ARG CA . 30511 1 423 . 2 2 9 9 ARG CB C 13 28.851 . . 1 . . . . B 52 ARG CB . 30511 1 424 . 2 2 9 9 ARG CG C 13 27.0916 . . 1 . . . . B 52 ARG CG . 30511 1 425 . 2 2 9 9 ARG CD C 13 41.7629 . . 1 . . . . B 52 ARG CD . 30511 1 426 . 2 2 9 9 ARG N N 15 125.4019 . . 1 . . . . B 52 ARG N . 30511 1 427 . 2 2 9 9 ARG NE N 15 82.5798 . . 1 . . . . B 52 ARG NE . 30511 1 428 . 2 2 10 10 ARG H H 1 8.0744 . . 1 . . . . B 53 ARG H . 30511 1 429 . 2 2 10 10 ARG HA H 1 4.2348 . . 1 . . . . B 53 ARG HA . 30511 1 430 . 2 2 10 10 ARG HB2 H 1 1.4357 . . 2 . . . . B 53 ARG HB2 . 30511 1 431 . 2 2 10 10 ARG HB3 H 1 1.3181 . . 2 . . . . B 53 ARG HB3 . 30511 1 432 . 2 2 10 10 ARG HG2 H 1 1.1818 . . 2 . . . . B 53 ARG HG2 . 30511 1 433 . 2 2 10 10 ARG HG3 H 1 1.1266 . . 2 . . . . B 53 ARG HG3 . 30511 1 434 . 2 2 10 10 ARG HD2 H 1 2.8133 . . 2 . . . . B 53 ARG HD2 . 30511 1 435 . 2 2 10 10 ARG HD3 H 1 2.6986 . . 2 . . . . B 53 ARG HD3 . 30511 1 436 . 2 2 10 10 ARG HE H 1 7.0667 . . 1 . . . . B 53 ARG HE . 30511 1 437 . 2 2 10 10 ARG CA C 13 54.4399 . . 1 . . . . B 53 ARG CA . 30511 1 438 . 2 2 10 10 ARG CB C 13 33.2594 . . 1 . . . . B 53 ARG CB . 30511 1 439 . 2 2 10 10 ARG CG C 13 27.3577 . . 1 . . . . B 53 ARG CG . 30511 1 440 . 2 2 10 10 ARG CD C 13 42.6299 . . 1 . . . . B 53 ARG CD . 30511 1 441 . 2 2 10 10 ARG N N 15 121.4119 . . 1 . . . . B 53 ARG N . 30511 1 442 . 2 2 10 10 ARG NE N 15 84.5636 . . 1 . . . . B 53 ARG NE . 30511 1 443 . 2 2 11 11 GLN H H 1 8.4384 . . 1 . . . . B 54 GLN H . 30511 1 444 . 2 2 11 11 GLN HA H 1 4.0262 . . 1 . . . . B 54 GLN HA . 30511 1 445 . 2 2 11 11 GLN HB2 H 1 1.4612 . . 2 . . . . B 54 GLN HB2 . 30511 1 446 . 2 2 11 11 GLN HB3 H 1 1.4671 . . 2 . . . . B 54 GLN HB3 . 30511 1 447 . 2 2 11 11 GLN HG2 H 1 1.5979 . . 2 . . . . B 54 GLN HG2 . 30511 1 448 . 2 2 11 11 GLN HG3 H 1 1.5773 . . 2 . . . . B 54 GLN HG3 . 30511 1 449 . 2 2 11 11 GLN HE21 H 1 7.9682 . . 2 . . . . B 54 GLN HE21 . 30511 1 450 . 2 2 11 11 GLN HE22 H 1 7.1228 . . 2 . . . . B 54 GLN HE22 . 30511 1 451 . 2 2 11 11 GLN CA C 13 56.1769 . . 1 . . . . B 54 GLN CA . 30511 1 452 . 2 2 11 11 GLN CB C 13 27.0521 . . 1 . . . . B 54 GLN CB . 30511 1 453 . 2 2 11 11 GLN CG C 13 30.2013 . . 1 . . . . B 54 GLN CG . 30511 1 454 . 2 2 11 11 GLN N N 15 124.247 . . 1 . . . . B 54 GLN N . 30511 1 455 . 2 2 11 11 GLN NE2 N 15 113.4009 . . 1 . . . . B 54 GLN NE2 . 30511 1 456 . 2 2 12 12 ARG H H 1 8.3692 . . 1 . . . . B 55 ARG H . 30511 1 457 . 2 2 12 12 ARG HA H 1 3.9927 . . 1 . . . . B 55 ARG HA . 30511 1 458 . 2 2 12 12 ARG HB2 H 1 1.4904 . . 2 . . . . B 55 ARG HB2 . 30511 1 459 . 2 2 12 12 ARG HB3 H 1 1.4671 . . 2 . . . . B 55 ARG HB3 . 30511 1 460 . 2 2 12 12 ARG HG2 H 1 1.3341 . . 2 . . . . B 55 ARG HG2 . 30511 1 461 . 2 2 12 12 ARG HG3 H 1 1.2408 . . 2 . . . . B 55 ARG HG3 . 30511 1 462 . 2 2 12 12 ARG HD2 H 1 3.0805 . . 2 . . . . B 55 ARG HD2 . 30511 1 463 . 2 2 12 12 ARG HD3 H 1 3.0547 . . 2 . . . . B 55 ARG HD3 . 30511 1 464 . 2 2 12 12 ARG HE H 1 7.2745 . . 1 . . . . B 55 ARG HE . 30511 1 465 . 2 2 12 12 ARG CA C 13 56.0827 . . 1 . . . . B 55 ARG CA . 30511 1 466 . 2 2 12 12 ARG CB C 13 33.268 . . 1 . . . . B 55 ARG CB . 30511 1 467 . 2 2 12 12 ARG CG C 13 24.4822 . . 1 . . . . B 55 ARG CG . 30511 1 468 . 2 2 12 12 ARG CD C 13 43.1006 . . 1 . . . . B 55 ARG CD . 30511 1 469 . 2 2 12 12 ARG N N 15 127.9644 . . 1 . . . . B 55 ARG N . 30511 1 470 . 2 2 12 12 ARG NE N 15 84.459 . . 1 . . . . B 55 ARG NE . 30511 1 471 . 2 2 13 13 ARG H H 1 8.3542 . . 1 . . . . B 56 ARG H . 30511 1 472 . 2 2 13 13 ARG HA H 1 3.3928 . . 1 . . . . B 56 ARG HA . 30511 1 473 . 2 2 13 13 ARG HB2 H 1 1.9401 . . 2 . . . . B 56 ARG HB2 . 30511 1 474 . 2 2 13 13 ARG HB3 H 1 1.843 . . 2 . . . . B 56 ARG HB3 . 30511 1 475 . 2 2 13 13 ARG HG2 H 1 1.7756 . . 2 . . . . B 56 ARG HG2 . 30511 1 476 . 2 2 13 13 ARG HG3 H 1 1.2234 . . 2 . . . . B 56 ARG HG3 . 30511 1 477 . 2 2 13 13 ARG HD2 H 1 3.081 . . 2 . . . . B 56 ARG HD2 . 30511 1 478 . 2 2 13 13 ARG HD3 H 1 3.0164 . . 2 . . . . B 56 ARG HD3 . 30511 1 479 . 2 2 13 13 ARG HE H 1 7.54 . . 1 . . . . B 56 ARG HE . 30511 1 480 . 2 2 13 13 ARG CA C 13 55.8693 . . 1 . . . . B 56 ARG CA . 30511 1 481 . 2 2 13 13 ARG CB C 13 33.3894 . . 1 . . . . B 56 ARG CB . 30511 1 482 . 2 2 13 13 ARG CG C 13 29.345 . . 1 . . . . B 56 ARG CG . 30511 1 483 . 2 2 13 13 ARG CD C 13 43.1131 . . 1 . . . . B 56 ARG CD . 30511 1 484 . 2 2 13 13 ARG N N 15 124.247 . . 1 . . . . B 56 ARG N . 30511 1 485 . 2 2 13 13 ARG NE N 15 84.5306 . . 1 . . . . B 56 ARG NE . 30511 1 486 . 2 2 14 14 ARG H H 1 8.3352 . . 1 . . . . B 57 ARG H . 30511 1 487 . 2 2 14 14 ARG HA H 1 4.0879 . . 1 . . . . B 57 ARG HA . 30511 1 488 . 2 2 14 14 ARG HB2 H 1 1.5965 . . 2 . . . . B 57 ARG HB2 . 30511 1 489 . 2 2 14 14 ARG HB3 H 1 1.5812 . . 2 . . . . B 57 ARG HB3 . 30511 1 490 . 2 2 14 14 ARG HG2 H 1 1.4561 . . 2 . . . . B 57 ARG HG2 . 30511 1 491 . 2 2 14 14 ARG HG3 H 1 1.3725 . . 2 . . . . B 57 ARG HG3 . 30511 1 492 . 2 2 14 14 ARG HD2 H 1 3.0302 . . 2 . . . . B 57 ARG HD2 . 30511 1 493 . 2 2 14 14 ARG HD3 H 1 2.9956 . . 2 . . . . B 57 ARG HD3 . 30511 1 494 . 2 2 14 14 ARG HE H 1 7.0678 . . 1 . . . . B 57 ARG HE . 30511 1 495 . 2 2 14 14 ARG CA C 13 55.9999 . . 1 . . . . B 57 ARG CA . 30511 1 496 . 2 2 14 14 ARG CB C 13 31.0747 . . 1 . . . . B 57 ARG CB . 30511 1 497 . 2 2 14 14 ARG CG C 13 26.3179 . . 1 . . . . B 57 ARG CG . 30511 1 498 . 2 2 14 14 ARG CD C 13 43.1685 . . 1 . . . . B 57 ARG CD . 30511 1 499 . 2 2 14 14 ARG N N 15 123.649 . . 1 . . . . B 57 ARG N . 30511 1 500 . 2 2 14 14 ARG NE N 15 84.7242 . . 1 . . . . B 57 ARG NE . 30511 1 501 . 2 2 15 15 ALA H H 1 8.3608 . . 1 . . . . B 58 ALA H . 30511 1 502 . 2 2 15 15 ALA HA H 1 4.484 . . 1 . . . . B 58 ALA HA . 30511 1 503 . 2 2 15 15 ALA CA C 13 52.3324 . . 1 . . . . B 58 ALA CA . 30511 1 504 . 2 2 15 15 ALA CB C 13 19.1727 . . 1 . . . . B 58 ALA CB . 30511 1 505 . 2 2 15 15 ALA N N 15 125.3769 . . 1 . . . . B 58 ALA N . 30511 1 506 . 2 2 16 16 HIS H H 1 8.4491 . . 1 . . . . B 59 HIS H . 30511 1 507 . 2 2 16 16 HIS HA H 1 4.5544 . . 1 . . . . B 59 HIS HA . 30511 1 508 . 2 2 16 16 HIS HB2 H 1 3.151 . . 2 . . . . B 59 HIS HB2 . 30511 1 509 . 2 2 16 16 HIS HB3 H 1 3.596 . . 2 . . . . B 59 HIS HB3 . 30511 1 510 . 2 2 16 16 HIS HD2 H 1 7.2482 . . 1 . . . . B 59 HIS HD2 . 30511 1 511 . 2 2 16 16 HIS HE1 H 1 8.1319 . . 1 . . . . B 59 HIS HE1 . 30511 1 512 . 2 2 17 17 GLN H H 1 8.172 . . 1 . . . . B 60 GLN H . 30511 1 513 . 2 2 17 17 GLN HA H 1 4.0428 . . 1 . . . . B 60 GLN HA . 30511 1 514 . 2 2 17 17 GLN HB2 H 1 2.0045 . . 2 . . . . B 60 GLN HB2 . 30511 1 515 . 2 2 17 17 GLN HB3 H 1 1.7955 . . 2 . . . . B 60 GLN HB3 . 30511 1 516 . 2 2 17 17 GLN HG2 H 1 2.1725 . . 2 . . . . B 60 GLN HG2 . 30511 1 517 . 2 2 17 17 GLN HG3 H 1 2.2257 . . 2 . . . . B 60 GLN HG3 . 30511 1 stop_ save_