################################### # 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 36404 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 SW/TD _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-15N HSQC' 1 $sample_1 isotropic 36404 1 2 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36404 1 3 '3D HNCACB' 1 $sample_1 isotropic 36404 1 4 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36404 1 5 '3D 1H-13C NOESY' 1 $sample_1 isotropic 36404 1 6 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36404 1 7 '3D CCH-COSY' 1 $sample_1 isotropic 36404 1 8 '2D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 36404 1 9 '2D F1, F2-15N/13C-filtered 1H-1H NOESY' 1 $sample_1 isotropic 36404 1 10 '3D F1-15N/13C filtered, F2-15N edited NOESY' 1 $sample_1 isotropic 36404 1 11 '3D F1-15N/13C filtered, F2-13C edited NOESY' 1 $sample_1 isotropic 36404 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 GLY HA2 H 1 3.939 0.03 . 2 . . . . A 355 GLY HA2 . 36404 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.846 0.03 . 2 . . . . A 355 GLY HA3 . 36404 1 3 . 1 . 1 1 1 GLY H1 H 1 8.373 0.03 . 1 . . . . A 355 GLY H1 . 36404 1 4 . 1 . 1 1 1 GLY CA C 13 45.385 0.3 . 1 . . . . A 355 GLY CA . 36404 1 5 . 1 . 1 1 1 GLY N N 15 110.375 0.3 . 1 . . . . A 355 GLY N . 36404 1 6 . 1 . 1 2 2 ASP H H 1 8.169 0.03 . 1 . . . . A 356 ASP H . 36404 1 7 . 1 . 1 2 2 ASP HA H 1 4.540 0.03 . 1 . . . . A 356 ASP HA . 36404 1 8 . 1 . 1 2 2 ASP HB2 H 1 2.538 0.03 . 2 . . . . A 356 ASP HB2 . 36404 1 9 . 1 . 1 2 2 ASP HB3 H 1 2.617 0.03 . 2 . . . . A 356 ASP HB3 . 36404 1 10 . 1 . 1 2 2 ASP CA C 13 54.146 0.3 . 1 . . . . A 356 ASP CA . 36404 1 11 . 1 . 1 2 2 ASP CB C 13 41.362 0.3 . 1 . . . . A 356 ASP CB . 36404 1 12 . 1 . 1 2 2 ASP N N 15 120.226 0.3 . 1 . . . . A 356 ASP N . 36404 1 13 . 1 . 1 3 3 ALA H H 1 8.257 0.03 . 1 . . . . A 357 ALA H . 36404 1 14 . 1 . 1 3 3 ALA HA H 1 4.162 0.03 . 1 . . . . A 357 ALA HA . 36404 1 15 . 1 . 1 3 3 ALA HB1 H 1 1.188 0.03 . 1 . . . . A 357 ALA HB1 . 36404 1 16 . 1 . 1 3 3 ALA HB2 H 1 1.188 0.03 . 1 . . . . A 357 ALA HB2 . 36404 1 17 . 1 . 1 3 3 ALA HB3 H 1 1.188 0.03 . 1 . . . . A 357 ALA HB3 . 36404 1 18 . 1 . 1 3 3 ALA CA C 13 52.529 0.3 . 1 . . . . A 357 ALA CA . 36404 1 19 . 1 . 1 3 3 ALA CB C 13 18.997 0.3 . 1 . . . . A 357 ALA CB . 36404 1 20 . 1 . 1 3 3 ALA N N 15 124.275 0.3 . 1 . . . . A 357 ALA N . 36404 1 21 . 1 . 1 4 4 LYS H H 1 7.866 0.03 . 1 . . . . A 358 LYS H . 36404 1 22 . 1 . 1 4 4 LYS HA H 1 4.089 0.03 . 1 . . . . A 358 LYS HA . 36404 1 23 . 1 . 1 4 4 LYS HB2 H 1 1.281 0.03 . 2 . . . . A 358 LYS HB2 . 36404 1 24 . 1 . 1 4 4 LYS HB3 H 1 1.281 0.03 . 2 . . . . A 358 LYS HB3 . 36404 1 25 . 1 . 1 4 4 LYS HG2 H 1 1.149 0.03 . 2 . . . . A 358 LYS HG2 . 36404 1 26 . 1 . 1 4 4 LYS HG3 H 1 1.280 0.03 . 2 . . . . A 358 LYS HG3 . 36404 1 27 . 1 . 1 4 4 LYS HD2 H 1 1.372 0.03 . 2 . . . . A 358 LYS HD2 . 36404 1 28 . 1 . 1 4 4 LYS HD3 H 1 1.401 0.03 . 2 . . . . A 358 LYS HD3 . 36404 1 29 . 1 . 1 4 4 LYS HE2 H 1 2.793 0.03 . 2 . . . . A 358 LYS HE2 . 36404 1 30 . 1 . 1 4 4 LYS HE3 H 1 2.793 0.03 . 2 . . . . A 358 LYS HE3 . 36404 1 31 . 1 . 1 4 4 LYS CA C 13 56.050 0.3 . 1 . . . . A 358 LYS CA . 36404 1 32 . 1 . 1 4 4 LYS CB C 13 33.768 0.3 . 1 . . . . A 358 LYS CB . 36404 1 33 . 1 . 1 4 4 LYS CG C 13 24.481 0.3 . 1 . . . . A 358 LYS CG . 36404 1 34 . 1 . 1 4 4 LYS CD C 13 29.319 0.3 . 1 . . . . A 358 LYS CD . 36404 1 35 . 1 . 1 4 4 LYS CE C 13 41.930 0.3 . 1 . . . . A 358 LYS CE . 36404 1 36 . 1 . 1 4 4 LYS N N 15 121.619 0.3 . 1 . . . . A 358 LYS N . 36404 1 37 . 1 . 1 5 5 LYS H H 1 9.010 0.03 . 1 . . . . A 359 LYS H . 36404 1 38 . 1 . 1 5 5 LYS HA H 1 4.760 0.03 . 1 . . . . A 359 LYS HA . 36404 1 39 . 1 . 1 5 5 LYS HB2 H 1 2.100 0.03 . 2 . . . . A 359 LYS HB2 . 36404 1 40 . 1 . 1 5 5 LYS HB3 H 1 2.311 0.03 . 2 . . . . A 359 LYS HB3 . 36404 1 41 . 1 . 1 5 5 LYS HG2 H 1 1.569 0.03 . 2 . . . . A 359 LYS HG2 . 36404 1 42 . 1 . 1 5 5 LYS HG3 H 1 1.569 0.03 . 2 . . . . A 359 LYS HG3 . 36404 1 43 . 1 . 1 5 5 LYS HD2 H 1 1.688 0.03 . 2 . . . . A 359 LYS HD2 . 36404 1 44 . 1 . 1 5 5 LYS HD3 H 1 1.688 0.03 . 2 . . . . A 359 LYS HD3 . 36404 1 45 . 1 . 1 5 5 LYS HE2 H 1 3.043 0.03 . 2 . . . . A 359 LYS HE2 . 36404 1 46 . 1 . 1 5 5 LYS HE3 H 1 2.857 0.03 . 2 . . . . A 359 LYS HE3 . 36404 1 47 . 1 . 1 5 5 LYS CA C 13 53.359 0.3 . 1 . . . . A 359 LYS CA . 36404 1 48 . 1 . 1 5 5 LYS CB C 13 31.342 0.3 . 1 . . . . A 359 LYS CB . 36404 1 49 . 1 . 1 5 5 LYS CG C 13 25.661 0.3 . 1 . . . . A 359 LYS CG . 36404 1 50 . 1 . 1 5 5 LYS CD C 13 28.221 0.3 . 1 . . . . A 359 LYS CD . 36404 1 51 . 1 . 1 5 5 LYS CE C 13 43.000 0.3 . 1 . . . . A 359 LYS CE . 36404 1 52 . 1 . 1 5 5 LYS N N 15 121.131 0.3 . 1 . . . . A 359 LYS N . 36404 1 53 . 1 . 1 6 6 CYS H H 1 7.027 0.03 . 1 . . . . A 360 CYS H . 36404 1 54 . 1 . 1 6 6 CYS HA H 1 3.790 0.03 . 1 . . . . A 360 CYS HA . 36404 1 55 . 1 . 1 6 6 CYS HB2 H 1 3.015 0.03 . 2 . . . . A 360 CYS HB2 . 36404 1 56 . 1 . 1 6 6 CYS HB3 H 1 2.751 0.03 . 2 . . . . A 360 CYS HB3 . 36404 1 57 . 1 . 1 6 6 CYS CA C 13 67.313 0.3 . 1 . . . . A 360 CYS CA . 36404 1 58 . 1 . 1 6 6 CYS CB C 13 30.883 0.3 . 1 . . . . A 360 CYS CB . 36404 1 59 . 1 . 1 6 6 CYS N N 15 115.060 0.3 . 1 . . . . A 360 CYS N . 36404 1 60 . 1 . 1 7 7 ARG H H 1 7.946 0.03 . 1 . . . . A 361 ARG H . 36404 1 61 . 1 . 1 7 7 ARG HA H 1 3.193 0.03 . 1 . . . . A 361 ARG HA . 36404 1 62 . 1 . 1 7 7 ARG HB2 H 1 0.981 0.03 . 2 . . . . A 361 ARG HB2 . 36404 1 63 . 1 . 1 7 7 ARG HB3 H 1 1.714 0.03 . 2 . . . . A 361 ARG HB3 . 36404 1 64 . 1 . 1 7 7 ARG HG2 H 1 1.476 0.03 . 2 . . . . A 361 ARG HG2 . 36404 1 65 . 1 . 1 7 7 ARG HG3 H 1 1.522 0.03 . 2 . . . . A 361 ARG HG3 . 36404 1 66 . 1 . 1 7 7 ARG HD2 H 1 3.391 0.03 . 2 . . . . A 361 ARG HD2 . 36404 1 67 . 1 . 1 7 7 ARG HD3 H 1 2.904 0.03 . 2 . . . . A 361 ARG HD3 . 36404 1 68 . 1 . 1 7 7 ARG HE H 1 8.756 0.03 . 1 . . . . A 361 ARG HE . 36404 1 69 . 1 . 1 7 7 ARG CA C 13 60.320 0.3 . 1 . . . . A 361 ARG CA . 36404 1 70 . 1 . 1 7 7 ARG CB C 13 28.494 0.3 . 1 . . . . A 361 ARG CB . 36404 1 71 . 1 . 1 7 7 ARG CG C 13 27.771 0.3 . 1 . . . . A 361 ARG CG . 36404 1 72 . 1 . 1 7 7 ARG CD C 13 45.750 0.3 . 1 . . . . A 361 ARG CD . 36404 1 73 . 1 . 1 7 7 ARG N N 15 117.460 0.3 . 1 . . . . A 361 ARG N . 36404 1 74 . 1 . 1 7 7 ARG NE N 15 87.676 0.3 . 1 . . . . A 361 ARG NE . 36404 1 75 . 1 . 1 8 8 LYS H H 1 8.219 0.03 . 1 . . . . A 362 LYS H . 36404 1 76 . 1 . 1 8 8 LYS HA H 1 3.981 0.03 . 1 . . . . A 362 LYS HA . 36404 1 77 . 1 . 1 8 8 LYS HB2 H 1 1.731 0.03 . 2 . . . . A 362 LYS HB2 . 36404 1 78 . 1 . 1 8 8 LYS HB3 H 1 1.814 0.03 . 2 . . . . A 362 LYS HB3 . 36404 1 79 . 1 . 1 8 8 LYS HG2 H 1 1.306 0.03 . 2 . . . . A 362 LYS HG2 . 36404 1 80 . 1 . 1 8 8 LYS HG3 H 1 1.382 0.03 . 2 . . . . A 362 LYS HG3 . 36404 1 81 . 1 . 1 8 8 LYS HD2 H 1 1.732 0.03 . 2 . . . . A 362 LYS HD2 . 36404 1 82 . 1 . 1 8 8 LYS HD3 H 1 1.607 0.03 . 2 . . . . A 362 LYS HD3 . 36404 1 83 . 1 . 1 8 8 LYS HE2 H 1 2.893 0.03 . 2 . . . . A 362 LYS HE2 . 36404 1 84 . 1 . 1 8 8 LYS HE3 H 1 2.893 0.03 . 2 . . . . A 362 LYS HE3 . 36404 1 85 . 1 . 1 8 8 LYS CA C 13 58.413 0.3 . 1 . . . . A 362 LYS CA . 36404 1 86 . 1 . 1 8 8 LYS CB C 13 33.274 0.3 . 1 . . . . A 362 LYS CB . 36404 1 87 . 1 . 1 8 8 LYS CG C 13 25.448 0.3 . 1 . . . . A 362 LYS CG . 36404 1 88 . 1 . 1 8 8 LYS CD C 13 29.375 0.3 . 1 . . . . A 362 LYS CD . 36404 1 89 . 1 . 1 8 8 LYS CE C 13 42.093 0.3 . 1 . . . . A 362 LYS CE . 36404 1 90 . 1 . 1 8 8 LYS N N 15 120.440 0.3 . 1 . . . . A 362 LYS N . 36404 1 91 . 1 . 1 9 9 VAL H H 1 8.114 0.03 . 1 . . . . A 363 VAL H . 36404 1 92 . 1 . 1 9 9 VAL HA H 1 3.137 0.03 . 1 . . . . A 363 VAL HA . 36404 1 93 . 1 . 1 9 9 VAL HB H 1 0.982 0.03 . 1 . . . . A 363 VAL HB . 36404 1 94 . 1 . 1 9 9 VAL HG11 H 1 -0.139 0.03 . 2 . . . . A 363 VAL HG11 . 36404 1 95 . 1 . 1 9 9 VAL HG12 H 1 -0.139 0.03 . 2 . . . . A 363 VAL HG12 . 36404 1 96 . 1 . 1 9 9 VAL HG13 H 1 -0.139 0.03 . 2 . . . . A 363 VAL HG13 . 36404 1 97 . 1 . 1 9 9 VAL HG21 H 1 -0.098 0.03 . 2 . . . . A 363 VAL HG21 . 36404 1 98 . 1 . 1 9 9 VAL HG22 H 1 -0.098 0.03 . 2 . . . . A 363 VAL HG22 . 36404 1 99 . 1 . 1 9 9 VAL HG23 H 1 -0.098 0.03 . 2 . . . . A 363 VAL HG23 . 36404 1 100 . 1 . 1 9 9 VAL CA C 13 66.511 0.3 . 1 . . . . A 363 VAL CA . 36404 1 101 . 1 . 1 9 9 VAL CB C 13 32.415 0.3 . 1 . . . . A 363 VAL CB . 36404 1 102 . 1 . 1 9 9 VAL CG1 C 13 19.730 0.3 . 1 . . . . A 363 VAL CG1 . 36404 1 103 . 1 . 1 9 9 VAL CG2 C 13 22.568 0.3 . 1 . . . . A 363 VAL CG2 . 36404 1 104 . 1 . 1 9 9 VAL N N 15 118.393 0.3 . 1 . . . . A 363 VAL N . 36404 1 105 . 1 . 1 10 10 TYR H H 1 8.821 0.03 . 1 . . . . A 364 TYR H . 36404 1 106 . 1 . 1 10 10 TYR HA H 1 4.631 0.03 . 1 . . . . A 364 TYR HA . 36404 1 107 . 1 . 1 10 10 TYR HB2 H 1 3.093 0.03 . 2 . . . . A 364 TYR HB2 . 36404 1 108 . 1 . 1 10 10 TYR HB3 H 1 3.462 0.03 . 2 . . . . A 364 TYR HB3 . 36404 1 109 . 1 . 1 10 10 TYR HD1 H 1 7.300 0.03 . 3 . . . . A 364 TYR HD1 . 36404 1 110 . 1 . 1 10 10 TYR HD2 H 1 7.300 0.03 . 3 . . . . A 364 TYR HD2 . 36404 1 111 . 1 . 1 10 10 TYR HE1 H 1 7.241 0.03 . 3 . . . . A 364 TYR HE1 . 36404 1 112 . 1 . 1 10 10 TYR HE2 H 1 7.241 0.03 . 3 . . . . A 364 TYR HE2 . 36404 1 113 . 1 . 1 10 10 TYR CA C 13 59.197 0.3 . 1 . . . . A 364 TYR CA . 36404 1 114 . 1 . 1 10 10 TYR CB C 13 40.277 0.3 . 1 . . . . A 364 TYR CB . 36404 1 115 . 1 . 1 10 10 TYR CD1 C 13 133.782 0.3 . 3 . . . . A 364 TYR CD1 . 36404 1 116 . 1 . 1 10 10 TYR CD2 C 13 133.782 0.3 . 3 . . . . A 364 TYR CD2 . 36404 1 117 . 1 . 1 10 10 TYR CE1 C 13 119.016 0.3 . 3 . . . . A 364 TYR CE1 . 36404 1 118 . 1 . 1 10 10 TYR CE2 C 13 119.016 0.3 . 3 . . . . A 364 TYR CE2 . 36404 1 119 . 1 . 1 10 10 TYR N N 15 116.433 0.3 . 1 . . . . A 364 TYR N . 36404 1 120 . 1 . 1 11 11 GLY H H 1 8.068 0.03 . 1 . . . . A 365 GLY H . 36404 1 121 . 1 . 1 11 11 GLY HA2 H 1 4.347 0.03 . 2 . . . . A 365 GLY HA2 . 36404 1 122 . 1 . 1 11 11 GLY HA3 H 1 4.577 0.03 . 2 . . . . A 365 GLY HA3 . 36404 1 123 . 1 . 1 11 11 GLY CA C 13 44.442 0.3 . 1 . . . . A 365 GLY CA . 36404 1 124 . 1 . 1 11 11 GLY N N 15 107.473 0.3 . 1 . . . . A 365 GLY N . 36404 1 125 . 1 . 1 12 12 MET H H 1 9.121 0.03 . 1 . . . . A 366 MET H . 36404 1 126 . 1 . 1 12 12 MET HA H 1 4.632 0.03 . 1 . . . . A 366 MET HA . 36404 1 127 . 1 . 1 12 12 MET HB2 H 1 2.170 0.03 . 2 . . . . A 366 MET HB2 . 36404 1 128 . 1 . 1 12 12 MET HB3 H 1 2.170 0.03 . 2 . . . . A 366 MET HB3 . 36404 1 129 . 1 . 1 12 12 MET HG2 H 1 2.759 0.03 . 2 . . . . A 366 MET HG2 . 36404 1 130 . 1 . 1 12 12 MET HG3 H 1 2.799 0.03 . 2 . . . . A 366 MET HG3 . 36404 1 131 . 1 . 1 12 12 MET HE1 H 1 2.165 0.03 . 1 . . . . A 366 MET HE1 . 36404 1 132 . 1 . 1 12 12 MET HE2 H 1 2.165 0.03 . 1 . . . . A 366 MET HE2 . 36404 1 133 . 1 . 1 12 12 MET HE3 H 1 2.165 0.03 . 1 . . . . A 366 MET HE3 . 36404 1 134 . 1 . 1 12 12 MET CA C 13 56.857 0.3 . 1 . . . . A 366 MET CA . 36404 1 135 . 1 . 1 12 12 MET CB C 13 32.509 0.3 . 1 . . . . A 366 MET CB . 36404 1 136 . 1 . 1 12 12 MET CG C 13 32.974 0.3 . 1 . . . . A 366 MET CG . 36404 1 137 . 1 . 1 12 12 MET CE C 13 17.156 0.3 . 1 . . . . A 366 MET CE . 36404 1 138 . 1 . 1 12 12 MET N N 15 119.758 0.3 . 1 . . . . A 366 MET N . 36404 1 139 . 1 . 1 13 13 GLU H H 1 9.064 0.03 . 1 . . . . A 367 GLU H . 36404 1 140 . 1 . 1 13 13 GLU HA H 1 4.217 0.03 . 1 . . . . A 367 GLU HA . 36404 1 141 . 1 . 1 13 13 GLU HB2 H 1 2.121 0.03 . 2 . . . . A 367 GLU HB2 . 36404 1 142 . 1 . 1 13 13 GLU HB3 H 1 2.095 0.03 . 2 . . . . A 367 GLU HB3 . 36404 1 143 . 1 . 1 13 13 GLU HG2 H 1 2.335 0.03 . 2 . . . . A 367 GLU HG2 . 36404 1 144 . 1 . 1 13 13 GLU HG3 H 1 2.335 0.03 . 2 . . . . A 367 GLU HG3 . 36404 1 145 . 1 . 1 13 13 GLU CA C 13 58.076 0.3 . 1 . . . . A 367 GLU CA . 36404 1 146 . 1 . 1 13 13 GLU CB C 13 29.215 0.3 . 1 . . . . A 367 GLU CB . 36404 1 147 . 1 . 1 13 13 GLU CG C 13 36.717 0.3 . 1 . . . . A 367 GLU CG . 36404 1 148 . 1 . 1 13 13 GLU N N 15 117.458 0.3 . 1 . . . . A 367 GLU N . 36404 1 149 . 1 . 1 14 14 ARG H H 1 7.105 0.03 . 1 . . . . A 368 ARG H . 36404 1 150 . 1 . 1 14 14 ARG HA H 1 4.828 0.03 . 1 . . . . A 368 ARG HA . 36404 1 151 . 1 . 1 14 14 ARG HB2 H 1 1.823 0.03 . 2 . . . . A 368 ARG HB2 . 36404 1 152 . 1 . 1 14 14 ARG HB3 H 1 2.049 0.03 . 2 . . . . A 368 ARG HB3 . 36404 1 153 . 1 . 1 14 14 ARG HG2 H 1 1.789 0.03 . 2 . . . . A 368 ARG HG2 . 36404 1 154 . 1 . 1 14 14 ARG HG3 H 1 1.414 0.03 . 2 . . . . A 368 ARG HG3 . 36404 1 155 . 1 . 1 14 14 ARG HD2 H 1 3.332 0.03 . 2 . . . . A 368 ARG HD2 . 36404 1 156 . 1 . 1 14 14 ARG HD3 H 1 3.332 0.03 . 2 . . . . A 368 ARG HD3 . 36404 1 157 . 1 . 1 14 14 ARG HE H 1 8.546 0.03 . 1 . . . . A 368 ARG HE . 36404 1 158 . 1 . 1 14 14 ARG CA C 13 51.860 0.3 . 1 . . . . A 368 ARG CA . 36404 1 159 . 1 . 1 14 14 ARG CB C 13 27.618 0.3 . 1 . . . . A 368 ARG CB . 36404 1 160 . 1 . 1 14 14 ARG CG C 13 25.424 0.3 . 1 . . . . A 368 ARG CG . 36404 1 161 . 1 . 1 14 14 ARG CD C 13 41.156 0.3 . 1 . . . . A 368 ARG CD . 36404 1 162 . 1 . 1 14 14 ARG N N 15 117.918 0.3 . 1 . . . . A 368 ARG N . 36404 1 163 . 1 . 1 14 14 ARG NE N 15 82.618 0.3 . 1 . . . . A 368 ARG NE . 36404 1 164 . 1 . 1 15 15 ARG H H 1 7.125 0.03 . 1 . . . . A 369 ARG H . 36404 1 165 . 1 . 1 15 15 ARG HA H 1 1.703 0.03 . 1 . . . . A 369 ARG HA . 36404 1 166 . 1 . 1 15 15 ARG HB2 H 1 1.010 0.03 . 2 . . . . A 369 ARG HB2 . 36404 1 167 . 1 . 1 15 15 ARG HB3 H 1 1.010 0.03 . 2 . . . . A 369 ARG HB3 . 36404 1 168 . 1 . 1 15 15 ARG HG2 H 1 0.280 0.03 . 2 . . . . A 369 ARG HG2 . 36404 1 169 . 1 . 1 15 15 ARG HG3 H 1 0.280 0.03 . 2 . . . . A 369 ARG HG3 . 36404 1 170 . 1 . 1 15 15 ARG HD2 H 1 2.637 0.03 . 2 . . . . A 369 ARG HD2 . 36404 1 171 . 1 . 1 15 15 ARG HD3 H 1 2.744 0.03 . 2 . . . . A 369 ARG HD3 . 36404 1 172 . 1 . 1 15 15 ARG HE H 1 6.932 0.03 . 1 . . . . A 369 ARG HE . 36404 1 173 . 1 . 1 15 15 ARG CA C 13 57.985 0.3 . 1 . . . . A 369 ARG CA . 36404 1 174 . 1 . 1 15 15 ARG CB C 13 29.840 0.3 . 1 . . . . A 369 ARG CB . 36404 1 175 . 1 . 1 15 15 ARG CG C 13 27.407 0.3 . 1 . . . . A 369 ARG CG . 36404 1 176 . 1 . 1 15 15 ARG CD C 13 43.349 0.3 . 1 . . . . A 369 ARG CD . 36404 1 177 . 1 . 1 15 15 ARG N N 15 121.125 0.3 . 1 . . . . A 369 ARG N . 36404 1 178 . 1 . 1 15 15 ARG NE N 15 84.27 0.3 . 1 . . . . A 369 ARG NE . 36404 1 179 . 1 . 1 16 16 ASP H H 1 8.516 0.03 . 1 . . . . A 370 ASP H . 36404 1 180 . 1 . 1 16 16 ASP HA H 1 3.979 0.03 . 1 . . . . A 370 ASP HA . 36404 1 181 . 1 . 1 16 16 ASP HB2 H 1 2.430 0.03 . 2 . . . . A 370 ASP HB2 . 36404 1 182 . 1 . 1 16 16 ASP HB3 H 1 2.507 0.03 . 2 . . . . A 370 ASP HB3 . 36404 1 183 . 1 . 1 16 16 ASP CA C 13 55.538 0.3 . 1 . . . . A 370 ASP CA . 36404 1 184 . 1 . 1 16 16 ASP CB C 13 39.201 0.3 . 1 . . . . A 370 ASP CB . 36404 1 185 . 1 . 1 16 16 ASP N N 15 114.410 0.3 . 1 . . . . A 370 ASP N . 36404 1 186 . 1 . 1 17 17 LEU H H 1 7.603 0.03 . 1 . . . . A 371 LEU H . 36404 1 187 . 1 . 1 17 17 LEU HA H 1 4.045 0.03 . 1 . . . . A 371 LEU HA . 36404 1 188 . 1 . 1 17 17 LEU HB2 H 1 0.594 0.03 . 2 . . . . A 371 LEU HB2 . 36404 1 189 . 1 . 1 17 17 LEU HB3 H 1 1.418 0.03 . 2 . . . . A 371 LEU HB3 . 36404 1 190 . 1 . 1 17 17 LEU HG H 1 1.432 0.03 . 1 . . . . A 371 LEU HG . 36404 1 191 . 1 . 1 17 17 LEU HD11 H 1 0.863 0.03 . 2 . . . . A 371 LEU HD11 . 36404 1 192 . 1 . 1 17 17 LEU HD12 H 1 0.863 0.03 . 2 . . . . A 371 LEU HD12 . 36404 1 193 . 1 . 1 17 17 LEU HD13 H 1 0.863 0.03 . 2 . . . . A 371 LEU HD13 . 36404 1 194 . 1 . 1 17 17 LEU HD21 H 1 0.624 0.03 . 2 . . . . A 371 LEU HD21 . 36404 1 195 . 1 . 1 17 17 LEU HD22 H 1 0.624 0.03 . 2 . . . . A 371 LEU HD22 . 36404 1 196 . 1 . 1 17 17 LEU HD23 H 1 0.624 0.03 . 2 . . . . A 371 LEU HD23 . 36404 1 197 . 1 . 1 17 17 LEU CA C 13 54.536 0.3 . 1 . . . . A 371 LEU CA . 36404 1 198 . 1 . 1 17 17 LEU CB C 13 41.593 0.3 . 1 . . . . A 371 LEU CB . 36404 1 199 . 1 . 1 17 17 LEU CG C 13 26.596 0.3 . 1 . . . . A 371 LEU CG . 36404 1 200 . 1 . 1 17 17 LEU CD1 C 13 25.826 0.3 . 1 . . . . A 371 LEU CD1 . 36404 1 201 . 1 . 1 17 17 LEU CD2 C 13 21.942 0.3 . 1 . . . . A 371 LEU CD2 . 36404 1 202 . 1 . 1 17 17 LEU N N 15 117.761 0.3 . 1 . . . . A 371 LEU N . 36404 1 203 . 1 . 1 18 18 TRP H H 1 7.243 0.03 . 1 . . . . A 372 TRP H . 36404 1 204 . 1 . 1 18 18 TRP HA H 1 4.875 0.03 . 1 . . . . A 372 TRP HA . 36404 1 205 . 1 . 1 18 18 TRP HB2 H 1 3.216 0.03 . 2 . . . . A 372 TRP HB2 . 36404 1 206 . 1 . 1 18 18 TRP HB3 H 1 3.473 0.03 . 2 . . . . A 372 TRP HB3 . 36404 1 207 . 1 . 1 18 18 TRP HD1 H 1 6.952 0.03 . 1 . . . . A 372 TRP HD1 . 36404 1 208 . 1 . 1 18 18 TRP HE1 H 1 9.345 0.03 . 1 . . . . A 372 TRP HE1 . 36404 1 209 . 1 . 1 18 18 TRP HE3 H 1 7.067 0.03 . 1 . . . . A 372 TRP HE3 . 36404 1 210 . 1 . 1 18 18 TRP HZ2 H 1 7.198 0.03 . 1 . . . . A 372 TRP HZ2 . 36404 1 211 . 1 . 1 18 18 TRP HZ3 H 1 7.239 0.03 . 1 . . . . A 372 TRP HZ3 . 36404 1 212 . 1 . 1 18 18 TRP HH2 H 1 7.192 0.03 . 1 . . . . A 372 TRP HH2 . 36404 1 213 . 1 . 1 18 18 TRP CA C 13 55.599 0.3 . 1 . . . . A 372 TRP CA . 36404 1 214 . 1 . 1 18 18 TRP CB C 13 31.320 0.3 . 1 . . . . A 372 TRP CB . 36404 1 215 . 1 . 1 18 18 TRP CD1 C 13 125.270 0.3 . 1 . . . . A 372 TRP CD1 . 36404 1 216 . 1 . 1 18 18 TRP CE3 C 13 120.542 0.3 . 1 . . . . A 372 TRP CE3 . 36404 1 217 . 1 . 1 18 18 TRP CZ2 C 13 119.852 0.3 . 1 . . . . A 372 TRP CZ2 . 36404 1 218 . 1 . 1 18 18 TRP CZ3 C 13 125.209 0.3 . 1 . . . . A 372 TRP CZ3 . 36404 1 219 . 1 . 1 18 18 TRP CH2 C 13 120.346 0.3 . 1 . . . . A 372 TRP CH2 . 36404 1 220 . 1 . 1 18 18 TRP N N 15 117.988 0.3 . 1 . . . . A 372 TRP N . 36404 1 221 . 1 . 1 18 18 TRP NE1 N 15 124.925 0.3 . 1 . . . . A 372 TRP NE1 . 36404 1 222 . 1 . 1 19 19 CYS H H 1 10.425 0.03 . 1 . . . . A 373 CYS H . 36404 1 223 . 1 . 1 19 19 CYS HA H 1 4.575 0.03 . 1 . . . . A 373 CYS HA . 36404 1 224 . 1 . 1 19 19 CYS HB2 H 1 3.468 0.03 . 2 . . . . A 373 CYS HB2 . 36404 1 225 . 1 . 1 19 19 CYS HB3 H 1 2.726 0.03 . 2 . . . . A 373 CYS HB3 . 36404 1 226 . 1 . 1 19 19 CYS CA C 13 58.669 0.3 . 1 . . . . A 373 CYS CA . 36404 1 227 . 1 . 1 19 19 CYS CB C 13 30.450 0.3 . 1 . . . . A 373 CYS CB . 36404 1 228 . 1 . 1 19 19 CYS N N 15 127.500 0.3 . 1 . . . . A 373 CYS N . 36404 1 229 . 1 . 1 20 20 THR H H 1 8.038 0.03 . 1 . . . . A 374 THR H . 36404 1 230 . 1 . 1 20 20 THR HA H 1 3.127 0.03 . 1 . . . . A 374 THR HA . 36404 1 231 . 1 . 1 20 20 THR HB H 1 3.288 0.03 . 1 . . . . A 374 THR HB . 36404 1 232 . 1 . 1 20 20 THR HG21 H 1 0.176 0.03 . 1 . . . . A 374 THR HG21 . 36404 1 233 . 1 . 1 20 20 THR HG22 H 1 0.176 0.03 . 1 . . . . A 374 THR HG22 . 36404 1 234 . 1 . 1 20 20 THR HG23 H 1 0.176 0.03 . 1 . . . . A 374 THR HG23 . 36404 1 235 . 1 . 1 20 20 THR CA C 13 65.783 0.3 . 1 . . . . A 374 THR CA . 36404 1 236 . 1 . 1 20 20 THR CB C 13 68.390 0.3 . 1 . . . . A 374 THR CB . 36404 1 237 . 1 . 1 20 20 THR CG2 C 13 21.050 0.3 . 1 . . . . A 374 THR CG2 . 36404 1 238 . 1 . 1 20 20 THR N N 15 114.841 0.3 . 1 . . . . A 374 THR N . 36404 1 239 . 1 . 1 21 21 ALA H H 1 7.279 0.03 . 1 . . . . A 375 ALA H . 36404 1 240 . 1 . 1 21 21 ALA HA H 1 3.786 0.03 . 1 . . . . A 375 ALA HA . 36404 1 241 . 1 . 1 21 21 ALA HB1 H 1 1.430 0.03 . 1 . . . . A 375 ALA HB1 . 36404 1 242 . 1 . 1 21 21 ALA HB2 H 1 1.430 0.03 . 1 . . . . A 375 ALA HB2 . 36404 1 243 . 1 . 1 21 21 ALA HB3 H 1 1.430 0.03 . 1 . . . . A 375 ALA HB3 . 36404 1 244 . 1 . 1 21 21 ALA CA C 13 56.086 0.3 . 1 . . . . A 375 ALA CA . 36404 1 245 . 1 . 1 21 21 ALA CB C 13 19.750 0.3 . 1 . . . . A 375 ALA CB . 36404 1 246 . 1 . 1 21 21 ALA N N 15 121.935 0.3 . 1 . . . . A 375 ALA N . 36404 1 247 . 1 . 1 22 22 CYS H H 1 9.101 0.03 . 1 . . . . A 376 CYS H . 36404 1 248 . 1 . 1 22 22 CYS HA H 1 4.276 0.03 . 1 . . . . A 376 CYS HA . 36404 1 249 . 1 . 1 22 22 CYS HB2 H 1 2.980 0.03 . 2 . . . . A 376 CYS HB2 . 36404 1 250 . 1 . 1 22 22 CYS HB3 H 1 3.003 0.03 . 2 . . . . A 376 CYS HB3 . 36404 1 251 . 1 . 1 22 22 CYS CA C 13 65.543 0.3 . 1 . . . . A 376 CYS CA . 36404 1 252 . 1 . 1 22 22 CYS CB C 13 28.900 0.3 . 1 . . . . A 376 CYS CB . 36404 1 253 . 1 . 1 22 22 CYS N N 15 122.904 0.3 . 1 . . . . A 376 CYS N . 36404 1 254 . 1 . 1 23 23 ARG H H 1 8.155 0.03 . 1 . . . . A 377 ARG H . 36404 1 255 . 1 . 1 23 23 ARG HA H 1 4.113 0.03 . 1 . . . . A 377 ARG HA . 36404 1 256 . 1 . 1 23 23 ARG HB2 H 1 1.871 0.03 . 2 . . . . A 377 ARG HB2 . 36404 1 257 . 1 . 1 23 23 ARG HB3 H 1 1.803 0.03 . 2 . . . . A 377 ARG HB3 . 36404 1 258 . 1 . 1 23 23 ARG HG2 H 1 1.812 0.03 . 2 . . . . A 377 ARG HG2 . 36404 1 259 . 1 . 1 23 23 ARG HG3 H 1 1.302 0.03 . 2 . . . . A 377 ARG HG3 . 36404 1 260 . 1 . 1 23 23 ARG HD2 H 1 3.056 0.03 . 2 . . . . A 377 ARG HD2 . 36404 1 261 . 1 . 1 23 23 ARG HD3 H 1 2.980 0.03 . 2 . . . . A 377 ARG HD3 . 36404 1 262 . 1 . 1 23 23 ARG HE H 1 6.934 0.03 . 1 . . . . A 377 ARG HE . 36404 1 263 . 1 . 1 23 23 ARG CA C 13 60.655 0.3 . 1 . . . . A 377 ARG CA . 36404 1 264 . 1 . 1 23 23 ARG CB C 13 29.900 0.3 . 1 . . . . A 377 ARG CB . 36404 1 265 . 1 . 1 23 23 ARG CG C 13 29.640 0.3 . 1 . . . . A 377 ARG CG . 36404 1 266 . 1 . 1 23 23 ARG CD C 13 43.345 0.3 . 1 . . . . A 377 ARG CD . 36404 1 267 . 1 . 1 23 23 ARG N N 15 121.025 0.3 . 1 . . . . A 377 ARG N . 36404 1 268 . 1 . 1 23 23 ARG NE N 15 82.822 0.3 . 1 . . . . A 377 ARG NE . 36404 1 269 . 1 . 1 24 24 TRP H H 1 7.933 0.03 . 1 . . . . A 378 TRP H . 36404 1 270 . 1 . 1 24 24 TRP HA H 1 4.787 0.03 . 1 . . . . A 378 TRP HA . 36404 1 271 . 1 . 1 24 24 TRP HB2 H 1 3.273 0.03 . 2 . . . . A 378 TRP HB2 . 36404 1 272 . 1 . 1 24 24 TRP HB3 H 1 3.273 0.03 . 2 . . . . A 378 TRP HB3 . 36404 1 273 . 1 . 1 24 24 TRP HD1 H 1 6.946 0.03 . 1 . . . . A 378 TRP HD1 . 36404 1 274 . 1 . 1 24 24 TRP HE1 H 1 10.481 0.03 . 1 . . . . A 378 TRP HE1 . 36404 1 275 . 1 . 1 24 24 TRP HE3 H 1 7.390 0.03 . 1 . . . . A 378 TRP HE3 . 36404 1 276 . 1 . 1 24 24 TRP HZ2 H 1 7.681 0.03 . 1 . . . . A 378 TRP HZ2 . 36404 1 277 . 1 . 1 24 24 TRP HZ3 H 1 7.101 0.03 . 1 . . . . A 378 TRP HZ3 . 36404 1 278 . 1 . 1 24 24 TRP HH2 H 1 7.357 0.03 . 1 . . . . A 378 TRP HH2 . 36404 1 279 . 1 . 1 24 24 TRP CA C 13 54.304 0.3 . 1 . . . . A 378 TRP CA . 36404 1 280 . 1 . 1 24 24 TRP CB C 13 29.765 0.3 . 1 . . . . A 378 TRP CB . 36404 1 281 . 1 . 1 24 24 TRP CD1 C 13 122.411 0.3 . 1 . . . . A 378 TRP CD1 . 36404 1 282 . 1 . 1 24 24 TRP CE3 C 13 120.571 0.3 . 1 . . . . A 378 TRP CE3 . 36404 1 283 . 1 . 1 24 24 TRP CZ2 C 13 115.095 0.3 . 1 . . . . A 378 TRP CZ2 . 36404 1 284 . 1 . 1 24 24 TRP CZ3 C 13 122.025 0.3 . 1 . . . . A 378 TRP CZ3 . 36404 1 285 . 1 . 1 24 24 TRP CH2 C 13 125.244 0.3 . 1 . . . . A 378 TRP CH2 . 36404 1 286 . 1 . 1 24 24 TRP N N 15 120.000 0.3 . 1 . . . . A 378 TRP N . 36404 1 287 . 1 . 1 24 24 TRP NE1 N 15 127.513 0.3 . 1 . . . . A 378 TRP NE1 . 36404 1 288 . 1 . 1 25 25 LYS H H 1 7.786 0.03 . 1 . . . . A 379 LYS H . 36404 1 289 . 1 . 1 25 25 LYS HA H 1 3.741 0.03 . 1 . . . . A 379 LYS HA . 36404 1 290 . 1 . 1 25 25 LYS HB2 H 1 1.112 0.03 . 2 . . . . A 379 LYS HB2 . 36404 1 291 . 1 . 1 25 25 LYS HB3 H 1 1.820 0.03 . 2 . . . . A 379 LYS HB3 . 36404 1 292 . 1 . 1 25 25 LYS HG2 H 1 1.192 0.03 . 2 . . . . A 379 LYS HG2 . 36404 1 293 . 1 . 1 25 25 LYS HG3 H 1 1.280 0.03 . 2 . . . . A 379 LYS HG3 . 36404 1 294 . 1 . 1 25 25 LYS HD2 H 1 1.599 0.03 . 2 . . . . A 379 LYS HD2 . 36404 1 295 . 1 . 1 25 25 LYS HD3 H 1 1.494 0.03 . 2 . . . . A 379 LYS HD3 . 36404 1 296 . 1 . 1 25 25 LYS HE2 H 1 2.848 0.03 . 2 . . . . A 379 LYS HE2 . 36404 1 297 . 1 . 1 25 25 LYS HE3 H 1 2.945 0.03 . 2 . . . . A 379 LYS HE3 . 36404 1 298 . 1 . 1 25 25 LYS CA C 13 57.830 0.3 . 1 . . . . A 379 LYS CA . 36404 1 299 . 1 . 1 25 25 LYS CB C 13 28.515 0.3 . 1 . . . . A 379 LYS CB . 36404 1 300 . 1 . 1 25 25 LYS CG C 13 24.574 0.3 . 1 . . . . A 379 LYS CG . 36404 1 301 . 1 . 1 25 25 LYS CD C 13 30.448 0.3 . 1 . . . . A 379 LYS CD . 36404 1 302 . 1 . 1 25 25 LYS CE C 13 42.250 0.3 . 1 . . . . A 379 LYS CE . 36404 1 303 . 1 . 1 25 25 LYS N N 15 112.373 0.3 . 1 . . . . A 379 LYS N . 36404 1 304 . 1 . 1 26 26 LYS H H 1 8.511 0.03 . 1 . . . . A 380 LYS H . 36404 1 305 . 1 . 1 26 26 LYS HA H 1 4.632 0.03 . 1 . . . . A 380 LYS HA . 36404 1 306 . 1 . 1 26 26 LYS HB2 H 1 1.760 0.03 . 2 . . . . A 380 LYS HB2 . 36404 1 307 . 1 . 1 26 26 LYS HB3 H 1 1.982 0.03 . 2 . . . . A 380 LYS HB3 . 36404 1 308 . 1 . 1 26 26 LYS HG2 H 1 1.518 0.03 . 2 . . . . A 380 LYS HG2 . 36404 1 309 . 1 . 1 26 26 LYS HG3 H 1 1.571 0.03 . 2 . . . . A 380 LYS HG3 . 36404 1 310 . 1 . 1 26 26 LYS HD2 H 1 1.627 0.03 . 2 . . . . A 380 LYS HD2 . 36404 1 311 . 1 . 1 26 26 LYS HD3 H 1 1.627 0.03 . 2 . . . . A 380 LYS HD3 . 36404 1 312 . 1 . 1 26 26 LYS HE2 H 1 2.730 0.03 . 2 . . . . A 380 LYS HE2 . 36404 1 313 . 1 . 1 26 26 LYS HE3 H 1 3.105 0.03 . 2 . . . . A 380 LYS HE3 . 36404 1 314 . 1 . 1 26 26 LYS CA C 13 51.651 0.3 . 1 . . . . A 380 LYS CA . 36404 1 315 . 1 . 1 26 26 LYS CB C 13 33.670 0.3 . 1 . . . . A 380 LYS CB . 36404 1 316 . 1 . 1 26 26 LYS CG C 13 23.670 0.3 . 1 . . . . A 380 LYS CG . 36404 1 317 . 1 . 1 26 26 LYS CD C 13 28.036 0.3 . 1 . . . . A 380 LYS CD . 36404 1 318 . 1 . 1 26 26 LYS CE C 13 42.670 0.3 . 1 . . . . A 380 LYS CE . 36404 1 319 . 1 . 1 26 26 LYS N N 15 115.592 0.3 . 1 . . . . A 380 LYS N . 36404 1 320 . 1 . 1 27 27 ALA H H 1 8.243 0.03 . 1 . . . . A 381 ALA H . 36404 1 321 . 1 . 1 27 27 ALA HA H 1 4.295 0.03 . 1 . . . . A 381 ALA HA . 36404 1 322 . 1 . 1 27 27 ALA HB1 H 1 1.369 0.03 . 1 . . . . A 381 ALA HB1 . 36404 1 323 . 1 . 1 27 27 ALA HB2 H 1 1.369 0.03 . 1 . . . . A 381 ALA HB2 . 36404 1 324 . 1 . 1 27 27 ALA HB3 H 1 1.369 0.03 . 1 . . . . A 381 ALA HB3 . 36404 1 325 . 1 . 1 27 27 ALA CA C 13 52.230 0.3 . 1 . . . . A 381 ALA CA . 36404 1 326 . 1 . 1 27 27 ALA CB C 13 19.052 0.3 . 1 . . . . A 381 ALA CB . 36404 1 327 . 1 . 1 27 27 ALA N N 15 121.200 0.3 . 1 . . . . A 381 ALA N . 36404 1 328 . 1 . 1 28 28 CYS H H 1 8.918 0.03 . 1 . . . . A 382 CYS H . 36404 1 329 . 1 . 1 28 28 CYS HA H 1 4.206 0.03 . 1 . . . . A 382 CYS HA . 36404 1 330 . 1 . 1 28 28 CYS HB2 H 1 2.884 0.03 . 2 . . . . A 382 CYS HB2 . 36404 1 331 . 1 . 1 28 28 CYS HB3 H 1 2.771 0.03 . 2 . . . . A 382 CYS HB3 . 36404 1 332 . 1 . 1 28 28 CYS CA C 13 62.360 0.3 . 1 . . . . A 382 CYS CA . 36404 1 333 . 1 . 1 28 28 CYS CB C 13 33.120 0.3 . 1 . . . . A 382 CYS CB . 36404 1 334 . 1 . 1 28 28 CYS N N 15 124.850 0.3 . 1 . . . . A 382 CYS N . 36404 1 335 . 1 . 1 29 29 GLN H H 1 8.426 0.03 . 1 . . . . A 383 GLN H . 36404 1 336 . 1 . 1 29 29 GLN HA H 1 4.511 0.03 . 1 . . . . A 383 GLN HA . 36404 1 337 . 1 . 1 29 29 GLN HB2 H 1 1.993 0.03 . 2 . . . . A 383 GLN HB2 . 36404 1 338 . 1 . 1 29 29 GLN HB3 H 1 2.261 0.03 . 2 . . . . A 383 GLN HB3 . 36404 1 339 . 1 . 1 29 29 GLN HG2 H 1 2.565 0.03 . 2 . . . . A 383 GLN HG2 . 36404 1 340 . 1 . 1 29 29 GLN HG3 H 1 2.478 0.03 . 2 . . . . A 383 GLN HG3 . 36404 1 341 . 1 . 1 29 29 GLN HE21 H 1 6.821 0.03 . 2 . . . . A 383 GLN HE21 . 36404 1 342 . 1 . 1 29 29 GLN HE22 H 1 7.536 0.03 . 2 . . . . A 383 GLN HE22 . 36404 1 343 . 1 . 1 29 29 GLN CA C 13 55.100 0.3 . 1 . . . . A 383 GLN CA . 36404 1 344 . 1 . 1 29 29 GLN CB C 13 30.430 0.3 . 1 . . . . A 383 GLN CB . 36404 1 345 . 1 . 1 29 29 GLN CG C 13 34.155 0.3 . 1 . . . . A 383 GLN CG . 36404 1 346 . 1 . 1 29 29 GLN N N 15 127.191 0.3 . 1 . . . . A 383 GLN N . 36404 1 347 . 1 . 1 29 29 GLN NE2 N 15 112.590 0.3 . 1 . . . . A 383 GLN NE2 . 36404 1 348 . 1 . 1 30 30 ARG H H 1 9.643 0.03 . 1 . . . . A 384 ARG H . 36404 1 349 . 1 . 1 30 30 ARG HA H 1 4.090 0.03 . 1 . . . . A 384 ARG HA . 36404 1 350 . 1 . 1 30 30 ARG HB2 H 1 1.342 0.03 . 2 . . . . A 384 ARG HB2 . 36404 1 351 . 1 . 1 30 30 ARG HB3 H 1 1.526 0.03 . 2 . . . . A 384 ARG HB3 . 36404 1 352 . 1 . 1 30 30 ARG HG2 H 1 0.080 0.03 . 2 . . . . A 384 ARG HG2 . 36404 1 353 . 1 . 1 30 30 ARG HG3 H 1 0.824 0.03 . 2 . . . . A 384 ARG HG3 . 36404 1 354 . 1 . 1 30 30 ARG HD2 H 1 2.944 0.03 . 2 . . . . A 384 ARG HD2 . 36404 1 355 . 1 . 1 30 30 ARG HD3 H 1 3.011 0.03 . 2 . . . . A 384 ARG HD3 . 36404 1 356 . 1 . 1 30 30 ARG CA C 13 57.780 0.3 . 1 . . . . A 384 ARG CA . 36404 1 357 . 1 . 1 30 30 ARG CB C 13 33.050 0.3 . 1 . . . . A 384 ARG CB . 36404 1 358 . 1 . 1 30 30 ARG CG C 13 25.730 0.3 . 1 . . . . A 384 ARG CG . 36404 1 359 . 1 . 1 30 30 ARG CD C 13 44.000 0.3 . 1 . . . . A 384 ARG CD . 36404 1 360 . 1 . 1 30 30 ARG N N 15 127.800 0.3 . 1 . . . . A 384 ARG N . 36404 1 361 . 1 . 1 31 31 PHE H H 1 8.565 0.03 . 1 . . . . A 385 PHE H . 36404 1 362 . 1 . 1 31 31 PHE HA H 1 4.714 0.03 . 1 . . . . A 385 PHE HA . 36404 1 363 . 1 . 1 31 31 PHE HB2 H 1 3.011 0.03 . 2 . . . . A 385 PHE HB2 . 36404 1 364 . 1 . 1 31 31 PHE HB3 H 1 3.188 0.03 . 2 . . . . A 385 PHE HB3 . 36404 1 365 . 1 . 1 31 31 PHE HD1 H 1 7.400 0.03 . 3 . . . . A 385 PHE HD1 . 36404 1 366 . 1 . 1 31 31 PHE HD2 H 1 7.400 0.03 . 3 . . . . A 385 PHE HD2 . 36404 1 367 . 1 . 1 31 31 PHE HE1 H 1 7.382 0.03 . 3 . . . . A 385 PHE HE1 . 36404 1 368 . 1 . 1 31 31 PHE HE2 H 1 7.382 0.03 . 3 . . . . A 385 PHE HE2 . 36404 1 369 . 1 . 1 31 31 PHE HZ H 1 7.152 0.03 . 1 . . . . A 385 PHE HZ . 36404 1 370 . 1 . 1 31 31 PHE CA C 13 56.893 0.3 . 1 . . . . A 385 PHE CA . 36404 1 371 . 1 . 1 31 31 PHE CB C 13 39.088 0.3 . 1 . . . . A 385 PHE CB . 36404 1 372 . 1 . 1 31 31 PHE CD1 C 13 132.794 0.3 . 3 . . . . A 385 PHE CD1 . 36404 1 373 . 1 . 1 31 31 PHE CD2 C 13 132.794 0.3 . 3 . . . . A 385 PHE CD2 . 36404 1 374 . 1 . 1 31 31 PHE CE1 C 13 131.283 0.3 . 3 . . . . A 385 PHE CE1 . 36404 1 375 . 1 . 1 31 31 PHE CE2 C 13 131.283 0.3 . 3 . . . . A 385 PHE CE2 . 36404 1 376 . 1 . 1 31 31 PHE CZ C 13 129.072 0.3 . 1 . . . . A 385 PHE CZ . 36404 1 377 . 1 . 1 31 31 PHE N N 15 123.733 0.3 . 1 . . . . A 385 PHE N . 36404 1 378 . 1 . 1 32 32 LEU H H 1 7.946 0.03 . 1 . . . . A 386 LEU H . 36404 1 379 . 1 . 1 32 32 LEU HA H 1 4.306 0.03 . 1 . . . . A 386 LEU HA . 36404 1 380 . 1 . 1 32 32 LEU HB2 H 1 1.556 0.03 . 2 . . . . A 386 LEU HB2 . 36404 1 381 . 1 . 1 32 32 LEU HB3 H 1 1.556 0.03 . 2 . . . . A 386 LEU HB3 . 36404 1 382 . 1 . 1 32 32 LEU HG H 1 1.399 0.03 . 1 . . . . A 386 LEU HG . 36404 1 383 . 1 . 1 32 32 LEU HD11 H 1 0.813 0.03 . 2 . . . . A 386 LEU HD11 . 36404 1 384 . 1 . 1 32 32 LEU HD12 H 1 0.813 0.03 . 2 . . . . A 386 LEU HD12 . 36404 1 385 . 1 . 1 32 32 LEU HD13 H 1 0.813 0.03 . 2 . . . . A 386 LEU HD13 . 36404 1 386 . 1 . 1 32 32 LEU HD21 H 1 0.742 0.03 . 2 . . . . A 386 LEU HD21 . 36404 1 387 . 1 . 1 32 32 LEU HD22 H 1 0.742 0.03 . 2 . . . . A 386 LEU HD22 . 36404 1 388 . 1 . 1 32 32 LEU HD23 H 1 0.742 0.03 . 2 . . . . A 386 LEU HD23 . 36404 1 389 . 1 . 1 32 32 LEU CA C 13 54.700 0.3 . 1 . . . . A 386 LEU CA . 36404 1 390 . 1 . 1 32 32 LEU CB C 13 42.800 0.3 . 1 . . . . A 386 LEU CB . 36404 1 391 . 1 . 1 32 32 LEU CG C 13 27.155 0.3 . 1 . . . . A 386 LEU CG . 36404 1 392 . 1 . 1 32 32 LEU CD1 C 13 25.158 0.3 . 1 . . . . A 386 LEU CD1 . 36404 1 393 . 1 . 1 32 32 LEU CD2 C 13 23.104 0.3 . 1 . . . . A 386 LEU CD2 . 36404 1 394 . 1 . 1 32 32 LEU N N 15 122.896 0.3 . 1 . . . . A 386 LEU N . 36404 1 395 . 1 . 1 33 33 ASP H H 1 7.977 0.03 . 1 . . . . A 387 ASP H . 36404 1 396 . 1 . 1 33 33 ASP HA H 1 4.308 0.03 . 1 . . . . A 387 ASP HA . 36404 1 397 . 1 . 1 33 33 ASP HB2 H 1 2.488 0.03 . 2 . . . . A 387 ASP HB2 . 36404 1 398 . 1 . 1 33 33 ASP HB3 H 1 2.639 0.03 . 2 . . . . A 387 ASP HB3 . 36404 1 399 . 1 . 1 33 33 ASP CA C 13 56.010 0.3 . 1 . . . . A 387 ASP CA . 36404 1 400 . 1 . 1 33 33 ASP CB C 13 42.300 0.3 . 1 . . . . A 387 ASP CB . 36404 1 401 . 1 . 1 33 33 ASP N N 15 125.353 0.3 . 1 . . . . A 387 ASP N . 36404 1 402 . 2 . 2 1 1 DT H1' H 1 5.767 0.03 . 1 . . . . B 1 DT H1' . 36404 1 403 . 2 . 2 1 1 DT H2' H 1 1.879 0.03 . 1 . . . . B 1 DT H2' . 36404 1 404 . 2 . 2 1 1 DT H2'' H 1 2.245 0.03 . 1 . . . . B 1 DT H2'' . 36404 1 405 . 2 . 2 1 1 DT H3' H 1 4.667 0.03 . 1 . . . . B 1 DT H3' . 36404 1 406 . 2 . 2 1 1 DT H4' H 1 4.011 0.03 . 1 . . . . B 1 DT H4' . 36404 1 407 . 2 . 2 1 1 DT H5' H 1 3.639 0.03 . 1 . . . . B 1 DT H5' . 36404 1 408 . 2 . 2 1 1 DT H5'' H 1 3.639 0.03 . 1 . . . . B 1 DT H5'' . 36404 1 409 . 2 . 2 1 1 DT H6 H 1 7.337 0.03 . 2 . . . . B 1 DT H6 . 36404 1 410 . 2 . 2 1 1 DT H71 H 1 1.540 0.03 . 1 . . . . B 1 DT H71 . 36404 1 411 . 2 . 2 1 1 DT H72 H 1 1.540 0.03 . 1 . . . . B 1 DT H72 . 36404 1 412 . 2 . 2 1 1 DT H73 H 1 1.540 0.03 . 1 . . . . B 1 DT H73 . 36404 1 413 . 2 . 2 2 2 DA H1' H 1 6.388 0.03 . 1 . . . . B 2 DA H1' . 36404 1 414 . 2 . 2 2 2 DA H2' H 1 2.784 0.03 . 1 . . . . B 2 DA H2' . 36404 1 415 . 2 . 2 2 2 DA H2'' H 1 2.847 0.03 . 1 . . . . B 2 DA H2'' . 36404 1 416 . 2 . 2 2 2 DA H3' H 1 5.124 0.03 . 1 . . . . B 2 DA H3' . 36404 1 417 . 2 . 2 2 2 DA H4' H 1 4.455 0.03 . 1 . . . . B 2 DA H4' . 36404 1 418 . 2 . 2 2 2 DA H5' H 1 4.120 0.03 . 1 . . . . B 2 DA H5' . 36404 1 419 . 2 . 2 2 2 DA H5'' H 1 4.019 0.03 . 1 . . . . B 2 DA H5'' . 36404 1 420 . 2 . 2 2 2 DA H8 H 1 8.475 0.03 . 2 . . . . B 2 DA H8 . 36404 1 421 . 2 . 2 3 3 DT H1' H 1 5.846 0.03 . 1 . . . . B 3 DT H1' . 36404 1 422 . 2 . 2 3 3 DT H2' H 1 1.486 0.03 . 1 . . . . B 3 DT H2' . 36404 1 423 . 2 . 2 3 3 DT H2'' H 1 2.691 0.03 . 1 . . . . B 3 DT H2'' . 36404 1 424 . 2 . 2 3 3 DT H3' H 1 4.553 0.03 . 1 . . . . B 3 DT H3' . 36404 1 425 . 2 . 2 3 3 DT H4' H 1 4.082 0.03 . 1 . . . . B 3 DT H4' . 36404 1 426 . 2 . 2 3 3 DT H5' H 1 4.371 0.03 . 1 . . . . B 3 DT H5' . 36404 1 427 . 2 . 2 3 3 DT H5'' H 1 3.926 0.03 . 1 . . . . B 3 DT H5'' . 36404 1 428 . 2 . 2 3 3 DT H6 H 1 6.424 0.03 . 2 . . . . B 3 DT H6 . 36404 1 429 . 2 . 2 3 3 DT H71 H 1 1.297 0.03 . 1 . . . . B 3 DT H71 . 36404 1 430 . 2 . 2 3 3 DT H72 H 1 1.297 0.03 . 1 . . . . B 3 DT H72 . 36404 1 431 . 2 . 2 3 3 DT H73 H 1 1.297 0.03 . 1 . . . . B 3 DT H73 . 36404 1 432 . 2 . 2 4 4 DG H1 H 1 12.689 0.03 . 2 . . . . B 4 DG H1 . 36404 1 433 . 2 . 2 4 4 DG H1' H 1 5.711 0.03 . 1 . . . . B 4 DG H1' . 36404 1 434 . 2 . 2 4 4 DG H2' H 1 2.140 0.03 . 1 . . . . B 4 DG H2' . 36404 1 435 . 2 . 2 4 4 DG H2'' H 1 2.739 0.03 . 1 . . . . B 4 DG H2'' . 36404 1 436 . 2 . 2 4 4 DG H3' H 1 4.919 0.03 . 1 . . . . B 4 DG H3' . 36404 1 437 . 2 . 2 4 4 DG H4' H 1 4.016 0.03 . 1 . . . . B 4 DG H4' . 36404 1 438 . 2 . 2 4 4 DG H5' H 1 4.065 0.03 . 1 . . . . B 4 DG H5' . 36404 1 439 . 2 . 2 4 4 DG H5'' H 1 4.053 0.03 . 1 . . . . B 4 DG H5'' . 36404 1 440 . 2 . 2 4 4 DG H8 H 1 7.619 0.03 . 2 . . . . B 4 DG H8 . 36404 1 441 . 2 . 2 5 5 DC H1' H 1 5.658 0.03 . 1 . . . . B 5 DC H1' . 36404 1 442 . 2 . 2 5 5 DC H2' H 1 1.627 0.03 . 1 . . . . B 5 DC H2' . 36404 1 443 . 2 . 2 5 5 DC H2'' H 1 2.084 0.03 . 1 . . . . B 5 DC H2'' . 36404 1 444 . 2 . 2 5 5 DC H3' H 1 4.598 0.03 . 1 . . . . B 5 DC H3' . 36404 1 445 . 2 . 2 5 5 DC H4' H 1 4.121 0.03 . 1 . . . . B 5 DC H4' . 36404 1 446 . 2 . 2 5 5 DC H5 H 1 5.186 0.03 . 2 . . . . B 5 DC H5 . 36404 1 447 . 2 . 2 5 5 DC H5' H 1 4.037 0.03 . 1 . . . . B 5 DC H5' . 36404 1 448 . 2 . 2 5 5 DC H5'' H 1 4.037 0.03 . 1 . . . . B 5 DC H5'' . 36404 1 449 . 2 . 2 5 5 DC H6 H 1 7.295 0.03 . 2 . . . . B 5 DC H6 . 36404 1 450 . 2 . 2 5 5 DC H41 H 1 8.306 0.03 . 2 . . . . B 5 DC H41 . 36404 1 451 . 2 . 2 5 5 DC H42 H 1 6.914 0.03 . 2 . . . . B 5 DC H42 . 36404 1 452 . 2 . 2 6 6 DC H1' H 1 5.944 0.03 . 1 . . . . B 6 DC H1' . 36404 1 453 . 2 . 2 6 6 DC H2' H 1 1.872 0.03 . 1 . . . . B 6 DC H2' . 36404 1 454 . 2 . 2 6 6 DC H2'' H 1 2.503 0.03 . 1 . . . . B 6 DC H2'' . 36404 1 455 . 2 . 2 6 6 DC H3' H 1 4.876 0.03 . 1 . . . . B 6 DC H3' . 36404 1 456 . 2 . 2 6 6 DC H4' H 1 4.065 0.03 . 1 . . . . B 6 DC H4' . 36404 1 457 . 2 . 2 6 6 DC H5 H 1 5.712 0.03 . 2 . . . . B 6 DC H5 . 36404 1 458 . 2 . 2 6 6 DC H5' H 1 4.185 0.03 . 1 . . . . B 6 DC H5' . 36404 1 459 . 2 . 2 6 6 DC H6 H 1 7.395 0.03 . 2 . . . . B 6 DC H6 . 36404 1 460 . 2 . 2 6 6 DC H41 H 1 9.315 0.03 . 2 . . . . B 6 DC H41 . 36404 1 461 . 2 . 2 6 6 DC H42 H 1 8.051 0.03 . 2 . . . . B 6 DC H42 . 36404 1 462 . 2 . 2 7 7 DG H1 H 1 13.098 0.03 . 2 . . . . B 7 DG H1 . 36404 1 463 . 2 . 2 7 7 DG H1' H 1 5.995 0.03 . 1 . . . . B 7 DG H1' . 36404 1 464 . 2 . 2 7 7 DG H2' H 1 2.571 0.03 . 1 . . . . B 7 DG H2' . 36404 1 465 . 2 . 2 7 7 DG H2'' H 1 2.942 0.03 . 1 . . . . B 7 DG H2'' . 36404 1 466 . 2 . 2 7 7 DG H3' H 1 4.945 0.03 . 1 . . . . B 7 DG H3' . 36404 1 467 . 2 . 2 7 7 DG H4' H 1 4.305 0.03 . 1 . . . . B 7 DG H4' . 36404 1 468 . 2 . 2 7 7 DG H5' H 1 4.067 0.03 . 1 . . . . B 7 DG H5' . 36404 1 469 . 2 . 2 7 7 DG H5'' H 1 3.972 0.03 . 1 . . . . B 7 DG H5'' . 36404 1 470 . 2 . 2 7 7 DG H8 H 1 7.897 0.03 . 2 . . . . B 7 DG H8 . 36404 1 471 . 2 . 2 8 8 DG H1 H 1 12.669 0.03 . 2 . . . . B 8 DG H1 . 36404 1 472 . 2 . 2 8 8 DG H1' H 1 5.558 0.03 . 1 . . . . B 8 DG H1' . 36404 1 473 . 2 . 2 8 8 DG H2' H 1 2.217 0.03 . 1 . . . . B 8 DG H2' . 36404 1 474 . 2 . 2 8 8 DG H2'' H 1 2.539 0.03 . 1 . . . . B 8 DG H2'' . 36404 1 475 . 2 . 2 8 8 DG H3' H 1 4.236 0.03 . 1 . . . . B 8 DG H3' . 36404 1 476 . 2 . 2 8 8 DG H4' H 1 4.104 0.03 . 1 . . . . B 8 DG H4' . 36404 1 477 . 2 . 2 8 8 DG H5' H 1 4.298 0.03 . 1 . . . . B 8 DG H5' . 36404 1 478 . 2 . 2 8 8 DG H5'' H 1 4.333 0.03 . 1 . . . . B 8 DG H5'' . 36404 1 479 . 2 . 2 8 8 DG H8 H 1 7.193 0.03 . 2 . . . . B 8 DG H8 . 36404 1 480 . 2 . 2 9 9 DG H1 H 1 12.357 0.03 . 2 . . . . B 9 DG H1 . 36404 1 481 . 2 . 2 9 9 DG H1' H 1 5.679 0.03 . 1 . . . . B 9 DG H1' . 36404 1 482 . 2 . 2 9 9 DG H2' H 1 2.448 0.03 . 1 . . . . B 9 DG H2' . 36404 1 483 . 2 . 2 9 9 DG H2'' H 1 2.600 0.03 . 1 . . . . B 9 DG H2'' . 36404 1 484 . 2 . 2 9 9 DG H3' H 1 4.826 0.03 . 1 . . . . B 9 DG H3' . 36404 1 485 . 2 . 2 9 9 DG H4' H 1 4.317 0.03 . 1 . . . . B 9 DG H4' . 36404 1 486 . 2 . 2 9 9 DG H5' H 1 4.098 0.03 . 1 . . . . B 9 DG H5' . 36404 1 487 . 2 . 2 9 9 DG H5'' H 1 4.300 0.03 . 1 . . . . B 9 DG H5'' . 36404 1 488 . 2 . 2 9 9 DG H8 H 1 7.477 0.03 . 2 . . . . B 9 DG H8 . 36404 1 489 . 2 . 2 10 10 DA H1' H 1 6.204 0.03 . 1 . . . . B 10 DA H1' . 36404 1 490 . 2 . 2 10 10 DA H2' H 1 2.509 0.03 . 1 . . . . B 10 DA H2' . 36404 1 491 . 2 . 2 10 10 DA H2'' H 1 2.797 0.03 . 1 . . . . B 10 DA H2'' . 36404 1 492 . 2 . 2 10 10 DA H3' H 1 4.903 0.03 . 1 . . . . B 10 DA H3' . 36404 1 493 . 2 . 2 10 10 DA H4' H 1 4.334 0.03 . 1 . . . . B 10 DA H4' . 36404 1 494 . 2 . 2 10 10 DA H5' H 1 4.144 0.03 . 1 . . . . B 10 DA H5' . 36404 1 495 . 2 . 2 10 10 DA H8 H 1 8.039 0.03 . 2 . . . . B 10 DA H8 . 36404 1 496 . 2 . 2 11 11 DC H1' H 1 6.011 0.03 . 1 . . . . B 11 DC H1' . 36404 1 497 . 2 . 2 11 11 DC H2' H 1 2.003 0.03 . 1 . . . . B 11 DC H2' . 36404 1 498 . 2 . 2 11 11 DC H2'' H 1 2.044 0.03 . 1 . . . . B 11 DC H2'' . 36404 1 499 . 2 . 2 11 11 DC H3' H 1 4.412 0.03 . 1 . . . . B 11 DC H3' . 36404 1 500 . 2 . 2 11 11 DC H4' H 1 3.928 0.03 . 1 . . . . B 11 DC H4' . 36404 1 501 . 2 . 2 11 11 DC H5 H 1 5.245 0.03 . 2 . . . . B 11 DC H5 . 36404 1 502 . 2 . 2 11 11 DC H5' H 1 4.158 0.03 . 1 . . . . B 11 DC H5' . 36404 1 503 . 2 . 2 11 11 DC H5'' H 1 3.994 0.03 . 1 . . . . B 11 DC H5'' . 36404 1 504 . 2 . 2 11 11 DC H6 H 1 7.270 0.03 . 2 . . . . B 11 DC H6 . 36404 1 505 . 2 . 2 11 11 DC H41 H 1 7.657 0.03 . 2 . . . . B 11 DC H41 . 36404 1 506 . 2 . 2 11 11 DC H42 H 1 6.673 0.03 . 2 . . . . B 11 DC H42 . 36404 1 507 . 3 . 3 1 1 DG H1 H 1 13.493 0.03 . 2 . . . . C 12 DG H1 . 36404 1 508 . 3 . 3 1 1 DG H1' H 1 5.970 0.03 . 1 . . . . C 12 DG H1' . 36404 1 509 . 3 . 3 1 1 DG H2'' H 1 2.757 0.03 . 1 . . . . C 12 DG H2'' . 36404 1 510 . 3 . 3 1 1 DG H3' H 1 4.752 0.03 . 1 . . . . C 12 DG H3' . 36404 1 511 . 3 . 3 1 1 DG H4' H 1 4.193 0.03 . 1 . . . . C 12 DG H4' . 36404 1 512 . 3 . 3 1 1 DG H5' H 1 3.781 0.03 . 1 . . . . C 12 DG H5' . 36404 1 513 . 3 . 3 1 1 DG H5'' H 1 3.876 0.03 . 1 . . . . C 12 DG H5'' . 36404 1 514 . 3 . 3 1 1 DG H8 H 1 7.919 0.03 . 2 . . . . C 12 DG H8 . 36404 1 515 . 3 . 3 2 2 DT H1' H 1 6.231 0.03 . 1 . . . . C 13 DT H1' . 36404 1 516 . 3 . 3 2 2 DT H2' H 1 2.278 0.03 . 1 . . . . C 13 DT H2' . 36404 1 517 . 3 . 3 2 2 DT H2'' H 1 2.686 0.03 . 1 . . . . C 13 DT H2'' . 36404 1 518 . 3 . 3 2 2 DT H3' H 1 5.071 0.03 . 1 . . . . C 13 DT H3' . 36404 1 519 . 3 . 3 2 2 DT H4' H 1 4.377 0.03 . 1 . . . . C 13 DT H4' . 36404 1 520 . 3 . 3 2 2 DT H5' H 1 4.149 0.03 . 1 . . . . C 13 DT H5' . 36404 1 521 . 3 . 3 2 2 DT H5'' H 1 4.191 0.03 . 1 . . . . C 13 DT H5'' . 36404 1 522 . 3 . 3 2 2 DT H6 H 1 7.500 0.03 . 2 . . . . C 13 DT H6 . 36404 1 523 . 3 . 3 2 2 DT H71 H 1 1.273 0.03 . 1 . . . . C 13 DT H71 . 36404 1 524 . 3 . 3 2 2 DT H72 H 1 1.273 0.03 . 1 . . . . C 13 DT H72 . 36404 1 525 . 3 . 3 2 2 DT H73 H 1 1.273 0.03 . 1 . . . . C 13 DT H73 . 36404 1 526 . 3 . 3 3 3 DC H1' H 1 5.761 0.03 . 1 . . . . C 14 DC H1' . 36404 1 527 . 3 . 3 3 3 DC H2' H 1 0.894 0.03 . 1 . . . . C 14 DC H2' . 36404 1 528 . 3 . 3 3 3 DC H2'' H 1 2.255 0.03 . 1 . . . . C 14 DC H2'' . 36404 1 529 . 3 . 3 3 3 DC H3' H 1 5.022 0.03 . 1 . . . . C 14 DC H3' . 36404 1 530 . 3 . 3 3 3 DC H4' H 1 4.046 0.03 . 1 . . . . C 14 DC H4' . 36404 1 531 . 3 . 3 3 3 DC H5 H 1 4.952 0.03 . 2 . . . . C 14 DC H5 . 36404 1 532 . 3 . 3 3 3 DC H5' H 1 4.192 0.03 . 1 . . . . C 14 DC H5' . 36404 1 533 . 3 . 3 3 3 DC H5'' H 1 4.192 0.03 . 1 . . . . C 14 DC H5'' . 36404 1 534 . 3 . 3 3 3 DC H6 H 1 6.066 0.03 . 2 . . . . C 14 DC H6 . 36404 1 535 . 3 . 3 3 3 DC H41 H 1 8.270 0.03 . 2 . . . . C 14 DC H41 . 36404 1 536 . 3 . 3 3 3 DC H42 H 1 6.607 0.03 . 2 . . . . C 14 DC H42 . 36404 1 537 . 3 . 3 4 4 DC H1' H 1 5.636 0.03 . 1 . . . . C 15 DC H1' . 36404 1 538 . 3 . 3 4 4 DC H2' H 1 1.833 0.03 . 1 . . . . C 15 DC H2' . 36404 1 539 . 3 . 3 4 4 DC H2'' H 1 2.359 0.03 . 1 . . . . C 15 DC H2'' . 36404 1 540 . 3 . 3 4 4 DC H3' H 1 4.776 0.03 . 1 . . . . C 15 DC H3' . 36404 1 541 . 3 . 3 4 4 DC H4' H 1 4.043 0.03 . 1 . . . . C 15 DC H4' . 36404 1 542 . 3 . 3 4 4 DC H5 H 1 4.388 0.03 . 2 . . . . C 15 DC H5 . 36404 1 543 . 3 . 3 4 4 DC H6 H 1 6.236 0.03 . 2 . . . . C 15 DC H6 . 36404 1 544 . 3 . 3 4 4 DC H41 H 1 8.386 0.03 . 2 . . . . C 15 DC H41 . 36404 1 545 . 3 . 3 4 4 DC H42 H 1 6.605 0.03 . 2 . . . . C 15 DC H42 . 36404 1 546 . 3 . 3 5 5 DC H1' H 1 5.569 0.03 . 1 . . . . C 16 DC H1' . 36404 1 547 . 3 . 3 5 5 DC H2' H 1 2.051 0.03 . 1 . . . . C 16 DC H2' . 36404 1 548 . 3 . 3 5 5 DC H2'' H 1 2.309 0.03 . 1 . . . . C 16 DC H2'' . 36404 1 549 . 3 . 3 5 5 DC H3' H 1 4.834 0.03 . 1 . . . . C 16 DC H3' . 36404 1 550 . 3 . 3 5 5 DC H4' H 1 4.141 0.03 . 1 . . . . C 16 DC H4' . 36404 1 551 . 3 . 3 5 5 DC H5 H 1 5.258 0.03 . 2 . . . . C 16 DC H5 . 36404 1 552 . 3 . 3 5 5 DC H5' H 1 4.049 0.03 . 1 . . . . C 16 DC H5' . 36404 1 553 . 3 . 3 5 5 DC H5'' H 1 4.049 0.03 . 1 . . . . C 16 DC H5'' . 36404 1 554 . 3 . 3 5 5 DC H6 H 1 7.417 0.03 . 2 . . . . C 16 DC H6 . 36404 1 555 . 3 . 3 5 5 DC H41 H 1 8.845 0.03 . 2 . . . . C 16 DC H41 . 36404 1 556 . 3 . 3 5 5 DC H42 H 1 7.419 0.03 . 2 . . . . C 16 DC H42 . 36404 1 557 . 3 . 3 6 6 DG H1 H 1 13.603 0.03 . 2 . . . . C 17 DG H1 . 36404 1 558 . 3 . 3 6 6 DG H1' H 1 6.085 0.03 . 1 . . . . C 17 DG H1' . 36404 1 559 . 3 . 3 6 6 DG H2' H 1 2.548 0.03 . 1 . . . . C 17 DG H2' . 36404 1 560 . 3 . 3 6 6 DG H2'' H 1 3.018 0.03 . 1 . . . . C 17 DG H2'' . 36404 1 561 . 3 . 3 6 6 DG H3' H 1 4.965 0.03 . 1 . . . . C 17 DG H3' . 36404 1 562 . 3 . 3 6 6 DG H4' H 1 4.389 0.03 . 1 . . . . C 17 DG H4' . 36404 1 563 . 3 . 3 6 6 DG H5' H 1 4.075 0.03 . 1 . . . . C 17 DG H5' . 36404 1 564 . 3 . 3 6 6 DG H5'' H 1 3.954 0.03 . 1 . . . . C 17 DG H5'' . 36404 1 565 . 3 . 3 6 6 DG H8 H 1 7.771 0.03 . 2 . . . . C 17 DG H8 . 36404 1 566 . 3 . 3 7 7 DG H1 H 1 12.926 0.03 . 2 . . . . C 18 DG H1 . 36404 1 567 . 3 . 3 7 7 DG H1' H 1 5.605 0.03 . 1 . . . . C 18 DG H1' . 36404 1 568 . 3 . 3 7 7 DG H2' H 1 2.393 0.03 . 1 . . . . C 18 DG H2' . 36404 1 569 . 3 . 3 7 7 DG H2'' H 1 2.530 0.03 . 1 . . . . C 18 DG H2'' . 36404 1 570 . 3 . 3 7 7 DG H3' H 1 4.904 0.03 . 1 . . . . C 18 DG H3' . 36404 1 571 . 3 . 3 7 7 DG H4' H 1 4.387 0.03 . 1 . . . . C 18 DG H4' . 36404 1 572 . 3 . 3 7 7 DG H5' H 1 4.267 0.03 . 1 . . . . C 18 DG H5' . 36404 1 573 . 3 . 3 7 7 DG H5'' H 1 4.153 0.03 . 1 . . . . C 18 DG H5'' . 36404 1 574 . 3 . 3 7 7 DG H8 H 1 7.633 0.03 . 2 . . . . C 18 DG H8 . 36404 1 575 . 3 . 3 8 8 DC H1' H 1 5.794 0.03 . 1 . . . . C 19 DC H1' . 36404 1 576 . 3 . 3 8 8 DC H2' H 1 2.168 0.03 . 1 . . . . C 19 DC H2' . 36404 1 577 . 3 . 3 8 8 DC H2'' H 1 2.452 0.03 . 1 . . . . C 19 DC H2'' . 36404 1 578 . 3 . 3 8 8 DC H3' H 1 4.862 0.03 . 1 . . . . C 19 DC H3' . 36404 1 579 . 3 . 3 8 8 DC H4' H 1 4.257 0.03 . 1 . . . . C 19 DC H4' . 36404 1 580 . 3 . 3 8 8 DC H5 H 1 5.290 0.03 . 2 . . . . C 19 DC H5 . 36404 1 581 . 3 . 3 8 8 DC H5' H 1 4.146 0.03 . 1 . . . . C 19 DC H5' . 36404 1 582 . 3 . 3 8 8 DC H6 H 1 7.462 0.03 . 2 . . . . C 19 DC H6 . 36404 1 583 . 3 . 3 8 8 DC H41 H 1 8.407 0.03 . 2 . . . . C 19 DC H41 . 36404 1 584 . 3 . 3 8 8 DC H42 H 1 6.454 0.03 . 2 . . . . C 19 DC H42 . 36404 1 585 . 3 . 3 9 9 DA H1' H 1 6.161 0.03 . 1 . . . . C 20 DA H1' . 36404 1 586 . 3 . 3 9 9 DA H2' H 1 2.546 0.03 . 1 . . . . C 20 DA H2' . 36404 1 587 . 3 . 3 9 9 DA H2'' H 1 2.814 0.03 . 1 . . . . C 20 DA H2'' . 36404 1 588 . 3 . 3 9 9 DA H3' H 1 4.950 0.03 . 1 . . . . C 20 DA H3' . 36404 1 589 . 3 . 3 9 9 DA H4' H 1 4.340 0.03 . 1 . . . . C 20 DA H4' . 36404 1 590 . 3 . 3 9 9 DA H5' H 1 4.140 0.03 . 1 . . . . C 20 DA H5' . 36404 1 591 . 3 . 3 9 9 DA H5'' H 1 4.061 0.03 . 1 . . . . C 20 DA H5'' . 36404 1 592 . 3 . 3 9 9 DA H8 H 1 8.263 0.03 . 2 . . . . C 20 DA H8 . 36404 1 593 . 3 . 3 10 10 DT H1' H 1 5.747 0.03 . 1 . . . . C 21 DT H1' . 36404 1 594 . 3 . 3 10 10 DT H2' H 1 1.840 0.03 . 1 . . . . C 21 DT H2' . 36404 1 595 . 3 . 3 10 10 DT H2'' H 1 2.206 0.03 . 1 . . . . C 21 DT H2'' . 36404 1 596 . 3 . 3 10 10 DT H3' H 1 4.749 0.03 . 1 . . . . C 21 DT H3' . 36404 1 597 . 3 . 3 10 10 DT H4' H 1 4.115 0.03 . 1 . . . . C 21 DT H4' . 36404 1 598 . 3 . 3 10 10 DT H5' H 1 4.056 0.03 . 1 . . . . C 21 DT H5' . 36404 1 599 . 3 . 3 10 10 DT H5'' H 1 3.973 0.03 . 1 . . . . C 21 DT H5'' . 36404 1 600 . 3 . 3 10 10 DT H6 H 1 7.070 0.03 . 2 . . . . C 21 DT H6 . 36404 1 601 . 3 . 3 10 10 DT H71 H 1 1.446 0.03 . 1 . . . . C 21 DT H71 . 36404 1 602 . 3 . 3 10 10 DT H72 H 1 1.446 0.03 . 1 . . . . C 21 DT H72 . 36404 1 603 . 3 . 3 10 10 DT H73 H 1 1.446 0.03 . 1 . . . . C 21 DT H73 . 36404 1 604 . 3 . 3 11 11 DA H1' H 1 6.197 0.03 . 1 . . . . C 22 DA H1' . 36404 1 605 . 3 . 3 11 11 DA H2' H 1 2.359 0.03 . 1 . . . . C 22 DA H2' . 36404 1 606 . 3 . 3 11 11 DA H2'' H 1 2.565 0.03 . 1 . . . . C 22 DA H2'' . 36404 1 607 . 3 . 3 11 11 DA H3' H 1 4.619 0.03 . 1 . . . . C 22 DA H3' . 36404 1 608 . 3 . 3 11 11 DA H4' H 1 4.106 0.03 . 1 . . . . C 22 DA H4' . 36404 1 609 . 3 . 3 11 11 DA H5' H 1 3.991 0.03 . 1 . . . . C 22 DA H5' . 36404 1 610 . 3 . 3 11 11 DA H5'' H 1 4.053 0.03 . 1 . . . . C 22 DA H5'' . 36404 1 611 . 3 . 3 11 11 DA H8 H 1 8.133 0.03 . 2 . . . . C 22 DA H8 . 36404 1 stop_ save_