################################### # 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 19549 _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-15N HSQC' . . . 19549 1 2 '3D 1H-15N NOESY' . . . 19549 1 5 '2D 1H-13C HSQC' . . . 19549 1 6 '3D 1H-13C NOESY aliphatic' . . . 19549 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 HA H 1 4.060 0.000 . 1 . . . A 1 MET HA . 19549 1 2 . 1 1 1 1 MET HB2 H 1 1.887 0.007 . 2 . . . A 1 MET HB2 . 19549 1 3 . 1 1 1 1 MET HB3 H 1 1.887 0.007 . 2 . . . A 1 MET HB3 . 19549 1 4 . 1 1 1 1 MET HG2 H 1 2.312 0.006 . 2 . . . A 1 MET HG2 . 19549 1 5 . 1 1 1 1 MET HG3 H 1 2.312 0.006 . 2 . . . A 1 MET HG3 . 19549 1 6 . 1 1 1 1 MET HE1 H 1 1.881 0.003 . 1 . . . A 1 MET HE1 . 19549 1 7 . 1 1 1 1 MET HE2 H 1 1.881 0.003 . 1 . . . A 1 MET HE2 . 19549 1 8 . 1 1 1 1 MET HE3 H 1 1.881 0.003 . 1 . . . A 1 MET HE3 . 19549 1 9 . 1 1 1 1 MET CA C 13 55.564 0.000 . 1 . . . A 1 MET CA . 19549 1 10 . 1 1 1 1 MET CB C 13 34.816 0.189 . 1 . . . A 1 MET CB . 19549 1 11 . 1 1 1 1 MET CG C 13 30.777 0.043 . 1 . . . A 1 MET CG . 19549 1 12 . 1 1 1 1 MET CE C 13 17.295 0.024 . 1 . . . A 1 MET CE . 19549 1 13 . 1 1 2 2 LEU H H 1 8.398 0.004 . 1 . . . A 2 LEU H . 19549 1 14 . 1 1 2 2 LEU HA H 1 4.628 0.001 . 1 . . . A 2 LEU HA . 19549 1 15 . 1 1 2 2 LEU HB2 H 1 1.399 0.006 . 2 . . . A 2 LEU HB2 . 19549 1 16 . 1 1 2 2 LEU HB3 H 1 1.018 0.004 . 2 . . . A 2 LEU HB3 . 19549 1 17 . 1 1 2 2 LEU HG H 1 0.917 0.003 . 1 . . . A 2 LEU HG . 19549 1 18 . 1 1 2 2 LEU HD11 H 1 -0.230 0.003 . 2 . . . A 2 LEU HD11 . 19549 1 19 . 1 1 2 2 LEU HD12 H 1 -0.230 0.003 . 2 . . . A 2 LEU HD12 . 19549 1 20 . 1 1 2 2 LEU HD13 H 1 -0.230 0.003 . 2 . . . A 2 LEU HD13 . 19549 1 21 . 1 1 2 2 LEU HD21 H 1 0.585 0.040 . 2 . . . A 2 LEU HD21 . 19549 1 22 . 1 1 2 2 LEU HD22 H 1 0.585 0.040 . 2 . . . A 2 LEU HD22 . 19549 1 23 . 1 1 2 2 LEU HD23 H 1 0.585 0.040 . 2 . . . A 2 LEU HD23 . 19549 1 24 . 1 1 2 2 LEU CA C 13 54.587 0.000 . 1 . . . A 2 LEU CA . 19549 1 25 . 1 1 2 2 LEU CB C 13 42.584 0.067 . 1 . . . A 2 LEU CB . 19549 1 26 . 1 1 2 2 LEU CG C 13 27.390 0.000 . 1 . . . A 2 LEU CG . 19549 1 27 . 1 1 2 2 LEU CD1 C 13 25.933 0.099 . 2 . . . A 2 LEU CD1 . 19549 1 28 . 1 1 2 2 LEU CD2 C 13 22.440 0.040 . 2 . . . A 2 LEU CD2 . 19549 1 29 . 1 1 2 2 LEU N N 15 124.131 0.000 . 1 . . . A 2 LEU N . 19549 1 30 . 1 1 3 3 ILE H H 1 10.460 0.006 . 1 . . . A 3 ILE H . 19549 1 31 . 1 1 3 3 ILE HA H 1 5.008 0.004 . 1 . . . A 3 ILE HA . 19549 1 32 . 1 1 3 3 ILE HB H 1 1.411 0.008 . 1 . . . A 3 ILE HB . 19549 1 33 . 1 1 3 3 ILE HG12 H 1 1.325 0.005 . 2 . . . A 3 ILE HG12 . 19549 1 34 . 1 1 3 3 ILE HG13 H 1 0.703 0.010 . 2 . . . A 3 ILE HG13 . 19549 1 35 . 1 1 3 3 ILE HG21 H 1 0.484 0.006 . 1 . . . A 3 ILE HG21 . 19549 1 36 . 1 1 3 3 ILE HG22 H 1 0.484 0.006 . 1 . . . A 3 ILE HG22 . 19549 1 37 . 1 1 3 3 ILE HG23 H 1 0.484 0.006 . 1 . . . A 3 ILE HG23 . 19549 1 38 . 1 1 3 3 ILE HD11 H 1 0.489 0.006 . 1 . . . A 3 ILE HD11 . 19549 1 39 . 1 1 3 3 ILE HD12 H 1 0.489 0.006 . 1 . . . A 3 ILE HD12 . 19549 1 40 . 1 1 3 3 ILE HD13 H 1 0.489 0.006 . 1 . . . A 3 ILE HD13 . 19549 1 41 . 1 1 3 3 ILE CA C 13 60.327 0.022 . 1 . . . A 3 ILE CA . 19549 1 42 . 1 1 3 3 ILE CB C 13 38.133 0.044 . 1 . . . A 3 ILE CB . 19549 1 43 . 1 1 3 3 ILE CG1 C 13 27.654 0.058 . 1 . . . A 3 ILE CG1 . 19549 1 44 . 1 1 3 3 ILE CG2 C 13 17.313 0.044 . 1 . . . A 3 ILE CG2 . 19549 1 45 . 1 1 3 3 ILE CD1 C 13 13.327 0.027 . 1 . . . A 3 ILE CD1 . 19549 1 46 . 1 1 3 3 ILE N N 15 130.553 0.061 . 1 . . . A 3 ILE N . 19549 1 47 . 1 1 4 4 LEU H H 1 8.905 0.001 . 1 . . . A 4 LEU H . 19549 1 48 . 1 1 4 4 LEU HA H 1 4.963 0.005 . 1 . . . A 4 LEU HA . 19549 1 49 . 1 1 4 4 LEU HB2 H 1 1.295 0.008 . 2 . . . A 4 LEU HB2 . 19549 1 50 . 1 1 4 4 LEU HB3 H 1 1.031 0.000 . 2 . . . A 4 LEU HB3 . 19549 1 51 . 1 1 4 4 LEU HG H 1 1.164 0.004 . 1 . . . A 4 LEU HG . 19549 1 52 . 1 1 4 4 LEU HD11 H 1 0.364 0.002 . 2 . . . A 4 LEU HD11 . 19549 1 53 . 1 1 4 4 LEU HD12 H 1 0.364 0.002 . 2 . . . A 4 LEU HD12 . 19549 1 54 . 1 1 4 4 LEU HD13 H 1 0.364 0.002 . 2 . . . A 4 LEU HD13 . 19549 1 55 . 1 1 4 4 LEU HD21 H 1 0.276 0.009 . 2 . . . A 4 LEU HD21 . 19549 1 56 . 1 1 4 4 LEU HD22 H 1 0.276 0.009 . 2 . . . A 4 LEU HD22 . 19549 1 57 . 1 1 4 4 LEU HD23 H 1 0.276 0.009 . 2 . . . A 4 LEU HD23 . 19549 1 58 . 1 1 4 4 LEU CA C 13 52.865 0.006 . 1 . . . A 4 LEU CA . 19549 1 59 . 1 1 4 4 LEU CB C 13 46.677 0.000 . 1 . . . A 4 LEU CB . 19549 1 60 . 1 1 4 4 LEU CG C 13 26.573 0.256 . 1 . . . A 4 LEU CG . 19549 1 61 . 1 1 4 4 LEU CD1 C 13 26.196 0.000 . 2 . . . A 4 LEU CD1 . 19549 1 62 . 1 1 4 4 LEU CD2 C 13 23.115 0.040 . 2 . . . A 4 LEU CD2 . 19549 1 63 . 1 1 4 4 LEU N N 15 125.358 0.035 . 1 . . . A 4 LEU N . 19549 1 64 . 1 1 5 5 THR H H 1 9.479 0.002 . 1 . . . A 5 THR H . 19549 1 65 . 1 1 5 5 THR HA H 1 5.488 0.000 . 1 . . . A 5 THR HA . 19549 1 66 . 1 1 5 5 THR HB H 1 3.993 0.000 . 1 . . . A 5 THR HB . 19549 1 67 . 1 1 5 5 THR HG21 H 1 1.035 0.004 . 1 . . . A 5 THR HG21 . 19549 1 68 . 1 1 5 5 THR HG22 H 1 1.035 0.004 . 1 . . . A 5 THR HG22 . 19549 1 69 . 1 1 5 5 THR HG23 H 1 1.035 0.004 . 1 . . . A 5 THR HG23 . 19549 1 70 . 1 1 5 5 THR CA C 13 60.717 0.000 . 1 . . . A 5 THR CA . 19549 1 71 . 1 1 5 5 THR CB C 13 69.781 0.000 . 1 . . . A 5 THR CB . 19549 1 72 . 1 1 5 5 THR CG2 C 13 21.678 0.000 . 1 . . . A 5 THR CG2 . 19549 1 73 . 1 1 5 5 THR N N 15 116.751 0.010 . 1 . . . A 5 THR N . 19549 1 74 . 1 1 6 6 ARG H H 1 9.293 0.000 . 1 . . . A 6 ARG H . 19549 1 75 . 1 1 6 6 ARG HA H 1 4.989 0.000 . 1 . . . A 6 ARG HA . 19549 1 76 . 1 1 6 6 ARG HB2 H 1 1.903 0.000 . 2 . . . A 6 ARG HB2 . 19549 1 77 . 1 1 6 6 ARG HB3 H 1 1.661 0.000 . 2 . . . A 6 ARG HB3 . 19549 1 78 . 1 1 6 6 ARG HD2 H 1 3.021 0.000 . 2 . . . A 6 ARG HD2 . 19549 1 79 . 1 1 6 6 ARG HD3 H 1 2.955 0.000 . 2 . . . A 6 ARG HD3 . 19549 1 80 . 1 1 6 6 ARG HE H 1 8.573 0.001 . 1 . . . A 6 ARG HE . 19549 1 81 . 1 1 6 6 ARG CA C 13 55.266 0.000 . 1 . . . A 6 ARG CA . 19549 1 82 . 1 1 6 6 ARG CB C 13 38.593 0.002 . 1 . . . A 6 ARG CB . 19549 1 83 . 1 1 6 6 ARG CD C 13 45.562 0.015 . 1 . . . A 6 ARG CD . 19549 1 84 . 1 1 6 6 ARG N N 15 124.665 0.000 . 1 . . . A 6 ARG N . 19549 1 85 . 1 1 6 6 ARG NE N 15 81.987 0.508 . 1 . . . A 6 ARG NE . 19549 1 86 . 1 1 7 7 LYS H H 1 9.412 0.000 . 1 . . . A 7 LYS H . 19549 1 87 . 1 1 7 7 LYS HA H 1 5.102 0.000 . 1 . . . A 7 LYS HA . 19549 1 88 . 1 1 7 7 LYS HB2 H 1 1.860 0.000 . 2 . . . A 7 LYS HB2 . 19549 1 89 . 1 1 7 7 LYS HB3 H 1 1.458 0.000 . 2 . . . A 7 LYS HB3 . 19549 1 90 . 1 1 7 7 LYS HG2 H 1 1.391 0.000 . 2 . . . A 7 LYS HG2 . 19549 1 91 . 1 1 7 7 LYS HG3 H 1 1.359 0.000 . 2 . . . A 7 LYS HG3 . 19549 1 92 . 1 1 7 7 LYS HD2 H 1 1.680 0.000 . 2 . . . A 7 LYS HD2 . 19549 1 93 . 1 1 7 7 LYS HD3 H 1 1.614 0.000 . 2 . . . A 7 LYS HD3 . 19549 1 94 . 1 1 7 7 LYS HE2 H 1 2.943 0.000 . 2 . . . A 7 LYS HE2 . 19549 1 95 . 1 1 7 7 LYS HE3 H 1 2.943 0.000 . 2 . . . A 7 LYS HE3 . 19549 1 96 . 1 1 7 7 LYS CA C 13 54.238 0.000 . 1 . . . A 7 LYS CA . 19549 1 97 . 1 1 7 7 LYS CB C 13 34.302 0.010 . 1 . . . A 7 LYS CB . 19549 1 98 . 1 1 7 7 LYS CG C 13 25.471 0.005 . 1 . . . A 7 LYS CG . 19549 1 99 . 1 1 7 7 LYS CD C 13 29.478 0.026 . 1 . . . A 7 LYS CD . 19549 1 100 . 1 1 7 7 LYS CE C 13 42.113 0.000 . 1 . . . A 7 LYS CE . 19549 1 101 . 1 1 7 7 LYS N N 15 123.257 0.029 . 1 . . . A 7 LYS N . 19549 1 102 . 1 1 8 8 VAL H H 1 7.480 0.002 . 1 . . . A 8 VAL H . 19549 1 103 . 1 1 8 8 VAL HA H 1 3.277 0.000 . 1 . . . A 8 VAL HA . 19549 1 104 . 1 1 8 8 VAL HB H 1 1.909 0.000 . 1 . . . A 8 VAL HB . 19549 1 105 . 1 1 8 8 VAL HG11 H 1 0.977 0.000 . 2 . . . A 8 VAL HG11 . 19549 1 106 . 1 1 8 8 VAL HG12 H 1 0.977 0.000 . 2 . . . A 8 VAL HG12 . 19549 1 107 . 1 1 8 8 VAL HG13 H 1 0.977 0.000 . 2 . . . A 8 VAL HG13 . 19549 1 108 . 1 1 8 8 VAL HG21 H 1 0.824 0.000 . 2 . . . A 8 VAL HG21 . 19549 1 109 . 1 1 8 8 VAL HG22 H 1 0.824 0.000 . 2 . . . A 8 VAL HG22 . 19549 1 110 . 1 1 8 8 VAL HG23 H 1 0.824 0.000 . 2 . . . A 8 VAL HG23 . 19549 1 111 . 1 1 8 8 VAL CA C 13 65.940 0.000 . 1 . . . A 8 VAL CA . 19549 1 112 . 1 1 8 8 VAL CB C 13 31.648 0.000 . 1 . . . A 8 VAL CB . 19549 1 113 . 1 1 8 8 VAL CG1 C 13 23.172 0.000 . 2 . . . A 8 VAL CG1 . 19549 1 114 . 1 1 8 8 VAL CG2 C 13 21.232 0.000 . 2 . . . A 8 VAL CG2 . 19549 1 115 . 1 1 8 8 VAL N N 15 118.052 0.000 . 1 . . . A 8 VAL N . 19549 1 116 . 1 1 9 9 GLY H H 1 9.192 0.000 . 1 . . . A 9 GLY H . 19549 1 117 . 1 1 9 9 GLY HA2 H 1 3.595 0.000 . 2 . . . A 9 GLY HA2 . 19549 1 118 . 1 1 9 9 GLY HA3 H 1 4.384 0.000 . 2 . . . A 9 GLY HA3 . 19549 1 119 . 1 1 9 9 GLY CA C 13 44.555 0.011 . 1 . . . A 9 GLY CA . 19549 1 120 . 1 1 9 9 GLY N N 15 115.983 0.000 . 1 . . . A 9 GLY N . 19549 1 121 . 1 1 10 10 GLU H H 1 8.294 0.000 . 1 . . . A 10 GLU H . 19549 1 122 . 1 1 10 10 GLU HA H 1 4.886 0.000 . 1 . . . A 10 GLU HA . 19549 1 123 . 1 1 10 10 GLU HB2 H 1 2.543 0.000 . 2 . . . A 10 GLU HB2 . 19549 1 124 . 1 1 10 10 GLU HB3 H 1 2.067 0.000 . 2 . . . A 10 GLU HB3 . 19549 1 125 . 1 1 10 10 GLU HG2 H 1 2.173 0.000 . 2 . . . A 10 GLU HG2 . 19549 1 126 . 1 1 10 10 GLU HG3 H 1 2.173 0.000 . 2 . . . A 10 GLU HG3 . 19549 1 127 . 1 1 10 10 GLU CA C 13 55.870 0.000 . 1 . . . A 10 GLU CA . 19549 1 128 . 1 1 10 10 GLU CB C 13 33.038 0.038 . 1 . . . A 10 GLU CB . 19549 1 129 . 1 1 10 10 GLU CG C 13 37.621 0.000 . 1 . . . A 10 GLU CG . 19549 1 130 . 1 1 10 10 GLU N N 15 119.194 0.000 . 1 . . . A 10 GLU N . 19549 1 131 . 1 1 11 11 SER H H 1 8.651 0.000 . 1 . . . A 11 SER H . 19549 1 132 . 1 1 11 11 SER HA H 1 5.875 0.002 . 1 . . . A 11 SER HA . 19549 1 133 . 1 1 11 11 SER HB2 H 1 3.603 0.000 . 2 . . . A 11 SER HB2 . 19549 1 134 . 1 1 11 11 SER HB3 H 1 3.497 0.000 . 2 . . . A 11 SER HB3 . 19549 1 135 . 1 1 11 11 SER CA C 13 58.033 0.000 . 1 . . . A 11 SER CA . 19549 1 136 . 1 1 11 11 SER CB C 13 67.006 0.004 . 1 . . . A 11 SER CB . 19549 1 137 . 1 1 11 11 SER N N 15 112.576 0.000 . 1 . . . A 11 SER N . 19549 1 138 . 1 1 12 12 ILE H H 1 9.266 0.000 . 1 . . . A 12 ILE H . 19549 1 139 . 1 1 12 12 ILE HA H 1 4.383 0.000 . 1 . . . A 12 ILE HA . 19549 1 140 . 1 1 12 12 ILE HB H 1 1.284 0.000 . 1 . . . A 12 ILE HB . 19549 1 141 . 1 1 12 12 ILE HG12 H 1 1.332 0.000 . 2 . . . A 12 ILE HG12 . 19549 1 142 . 1 1 12 12 ILE HG13 H 1 0.564 0.000 . 2 . . . A 12 ILE HG13 . 19549 1 143 . 1 1 12 12 ILE HG21 H 1 0.445 0.000 . 1 . . . A 12 ILE HG21 . 19549 1 144 . 1 1 12 12 ILE HG22 H 1 0.445 0.000 . 1 . . . A 12 ILE HG22 . 19549 1 145 . 1 1 12 12 ILE HG23 H 1 0.445 0.000 . 1 . . . A 12 ILE HG23 . 19549 1 146 . 1 1 12 12 ILE HD11 H 1 0.537 0.000 . 1 . . . A 12 ILE HD11 . 19549 1 147 . 1 1 12 12 ILE HD12 H 1 0.537 0.000 . 1 . . . A 12 ILE HD12 . 19549 1 148 . 1 1 12 12 ILE HD13 H 1 0.537 0.000 . 1 . . . A 12 ILE HD13 . 19549 1 149 . 1 1 12 12 ILE CA C 13 60.041 0.000 . 1 . . . A 12 ILE CA . 19549 1 150 . 1 1 12 12 ILE CB C 13 42.818 0.000 . 1 . . . A 12 ILE CB . 19549 1 151 . 1 1 12 12 ILE CG1 C 13 28.392 0.051 . 1 . . . A 12 ILE CG1 . 19549 1 152 . 1 1 12 12 ILE CG2 C 13 17.251 0.000 . 1 . . . A 12 ILE CG2 . 19549 1 153 . 1 1 12 12 ILE CD1 C 13 14.885 0.000 . 1 . . . A 12 ILE CD1 . 19549 1 154 . 1 1 12 12 ILE N N 15 124.514 0.000 . 1 . . . A 12 ILE N . 19549 1 155 . 1 1 13 13 ASN H H 1 9.360 0.000 . 1 . . . A 13 ASN H . 19549 1 156 . 1 1 13 13 ASN HA H 1 4.991 0.000 . 1 . . . A 13 ASN HA . 19549 1 157 . 1 1 13 13 ASN HB2 H 1 2.194 0.000 . 2 . . . A 13 ASN HB2 . 19549 1 158 . 1 1 13 13 ASN HB3 H 1 1.879 0.000 . 2 . . . A 13 ASN HB3 . 19549 1 159 . 1 1 13 13 ASN HD21 H 1 5.771 0.000 . 2 . . . A 13 ASN HD21 . 19549 1 160 . 1 1 13 13 ASN HD22 H 1 6.500 0.000 . 2 . . . A 13 ASN HD22 . 19549 1 161 . 1 1 13 13 ASN CA C 13 53.546 0.000 . 1 . . . A 13 ASN CA . 19549 1 162 . 1 1 13 13 ASN CB C 13 41.558 0.004 . 1 . . . A 13 ASN CB . 19549 1 163 . 1 1 13 13 ASN N N 15 126.280 0.000 . 1 . . . A 13 ASN N . 19549 1 164 . 1 1 13 13 ASN ND2 N 15 107.650 0.003 . 1 . . . A 13 ASN ND2 . 19549 1 165 . 1 1 14 14 ILE H H 1 8.425 0.000 . 1 . . . A 14 ILE H . 19549 1 166 . 1 1 14 14 ILE HA H 1 4.439 0.000 . 1 . . . A 14 ILE HA . 19549 1 167 . 1 1 14 14 ILE HB H 1 1.453 0.000 . 1 . . . A 14 ILE HB . 19549 1 168 . 1 1 14 14 ILE HG12 H 1 1.295 0.000 . 2 . . . A 14 ILE HG12 . 19549 1 169 . 1 1 14 14 ILE HG13 H 1 0.774 0.000 . 2 . . . A 14 ILE HG13 . 19549 1 170 . 1 1 14 14 ILE HG21 H 1 0.624 0.000 . 1 . . . A 14 ILE HG21 . 19549 1 171 . 1 1 14 14 ILE HG22 H 1 0.624 0.000 . 1 . . . A 14 ILE HG22 . 19549 1 172 . 1 1 14 14 ILE HG23 H 1 0.624 0.000 . 1 . . . A 14 ILE HG23 . 19549 1 173 . 1 1 14 14 ILE HD11 H 1 0.526 0.000 . 1 . . . A 14 ILE HD11 . 19549 1 174 . 1 1 14 14 ILE HD12 H 1 0.526 0.000 . 1 . . . A 14 ILE HD12 . 19549 1 175 . 1 1 14 14 ILE HD13 H 1 0.526 0.000 . 1 . . . A 14 ILE HD13 . 19549 1 176 . 1 1 14 14 ILE CA C 13 60.646 0.000 . 1 . . . A 14 ILE CA . 19549 1 177 . 1 1 14 14 ILE CB C 13 38.509 0.000 . 1 . . . A 14 ILE CB . 19549 1 178 . 1 1 14 14 ILE CG1 C 13 27.594 0.012 . 1 . . . A 14 ILE CG1 . 19549 1 179 . 1 1 14 14 ILE CG2 C 13 17.137 0.000 . 1 . . . A 14 ILE CG2 . 19549 1 180 . 1 1 14 14 ILE CD1 C 13 14.129 0.000 . 1 . . . A 14 ILE CD1 . 19549 1 181 . 1 1 14 14 ILE N N 15 123.986 0.000 . 1 . . . A 14 ILE N . 19549 1 182 . 1 1 15 15 GLY H H 1 9.067 0.000 . 1 . . . A 15 GLY H . 19549 1 183 . 1 1 15 15 GLY HA2 H 1 4.058 0.000 . 2 . . . A 15 GLY HA2 . 19549 1 184 . 1 1 15 15 GLY HA3 H 1 3.937 0.000 . 2 . . . A 15 GLY HA3 . 19549 1 185 . 1 1 15 15 GLY CA C 13 46.004 0.090 . 1 . . . A 15 GLY CA . 19549 1 186 . 1 1 15 15 GLY N N 15 115.388 0.000 . 1 . . . A 15 GLY N . 19549 1 187 . 1 1 16 16 ASP H H 1 8.760 0.000 . 1 . . . A 16 ASP H . 19549 1 188 . 1 1 16 16 ASP HA H 1 4.958 0.000 . 1 . . . A 16 ASP HA . 19549 1 189 . 1 1 16 16 ASP HB2 H 1 2.826 0.000 . 2 . . . A 16 ASP HB2 . 19549 1 190 . 1 1 16 16 ASP HB3 H 1 2.503 0.000 . 2 . . . A 16 ASP HB3 . 19549 1 191 . 1 1 16 16 ASP CA C 13 55.353 0.000 . 1 . . . A 16 ASP CA . 19549 1 192 . 1 1 16 16 ASP CB C 13 42.388 0.017 . 1 . . . A 16 ASP CB . 19549 1 193 . 1 1 16 16 ASP N N 15 120.794 0.000 . 1 . . . A 16 ASP N . 19549 1 194 . 1 1 17 17 ASP H H 1 8.159 0.000 . 1 . . . A 17 ASP H . 19549 1 195 . 1 1 17 17 ASP HA H 1 4.748 0.000 . 1 . . . A 17 ASP HA . 19549 1 196 . 1 1 17 17 ASP HB2 H 1 2.691 0.000 . 2 . . . A 17 ASP HB2 . 19549 1 197 . 1 1 17 17 ASP HB3 H 1 2.547 0.000 . 2 . . . A 17 ASP HB3 . 19549 1 198 . 1 1 17 17 ASP CA C 13 54.200 0.000 . 1 . . . A 17 ASP CA . 19549 1 199 . 1 1 17 17 ASP CB C 13 42.610 0.018 . 1 . . . A 17 ASP CB . 19549 1 200 . 1 1 17 17 ASP N N 15 115.630 0.000 . 1 . . . A 17 ASP N . 19549 1 201 . 1 1 18 18 ILE H H 1 7.168 0.000 . 1 . . . A 18 ILE H . 19549 1 202 . 1 1 18 18 ILE HA H 1 5.229 0.000 . 1 . . . A 18 ILE HA . 19549 1 203 . 1 1 18 18 ILE HB H 1 2.161 0.000 . 1 . . . A 18 ILE HB . 19549 1 204 . 1 1 18 18 ILE HG12 H 1 1.761 0.000 . 2 . . . A 18 ILE HG12 . 19549 1 205 . 1 1 18 18 ILE HG13 H 1 1.761 0.000 . 2 . . . A 18 ILE HG13 . 19549 1 206 . 1 1 18 18 ILE HG21 H 1 0.623 0.000 . 1 . . . A 18 ILE HG21 . 19549 1 207 . 1 1 18 18 ILE HG22 H 1 0.623 0.000 . 1 . . . A 18 ILE HG22 . 19549 1 208 . 1 1 18 18 ILE HG23 H 1 0.623 0.000 . 1 . . . A 18 ILE HG23 . 19549 1 209 . 1 1 18 18 ILE HD11 H 1 0.707 0.000 . 1 . . . A 18 ILE HD11 . 19549 1 210 . 1 1 18 18 ILE HD12 H 1 0.707 0.000 . 1 . . . A 18 ILE HD12 . 19549 1 211 . 1 1 18 18 ILE HD13 H 1 0.707 0.000 . 1 . . . A 18 ILE HD13 . 19549 1 212 . 1 1 18 18 ILE CA C 13 60.093 0.000 . 1 . . . A 18 ILE CA . 19549 1 213 . 1 1 18 18 ILE CB C 13 39.842 0.000 . 1 . . . A 18 ILE CB . 19549 1 214 . 1 1 18 18 ILE CG1 C 13 27.506 0.000 . 1 . . . A 18 ILE CG1 . 19549 1 215 . 1 1 18 18 ILE CG2 C 13 17.087 0.000 . 1 . . . A 18 ILE CG2 . 19549 1 216 . 1 1 18 18 ILE CD1 C 13 14.146 0.000 . 1 . . . A 18 ILE CD1 . 19549 1 217 . 1 1 18 18 ILE N N 15 118.662 0.000 . 1 . . . A 18 ILE N . 19549 1 218 . 1 1 19 19 THR H H 1 8.929 0.000 . 1 . . . A 19 THR H . 19549 1 219 . 1 1 19 19 THR HA H 1 5.125 0.000 . 1 . . . A 19 THR HA . 19549 1 220 . 1 1 19 19 THR HB H 1 3.816 0.000 . 1 . . . A 19 THR HB . 19549 1 221 . 1 1 19 19 THR HG21 H 1 0.990 0.000 . 1 . . . A 19 THR HG21 . 19549 1 222 . 1 1 19 19 THR HG22 H 1 0.990 0.000 . 1 . . . A 19 THR HG22 . 19549 1 223 . 1 1 19 19 THR HG23 H 1 0.990 0.000 . 1 . . . A 19 THR HG23 . 19549 1 224 . 1 1 19 19 THR CA C 13 60.957 0.000 . 1 . . . A 19 THR CA . 19549 1 225 . 1 1 19 19 THR CB C 13 71.814 0.000 . 1 . . . A 19 THR CB . 19549 1 226 . 1 1 19 19 THR CG2 C 13 21.702 0.000 . 1 . . . A 19 THR CG2 . 19549 1 227 . 1 1 19 19 THR N N 15 122.951 0.000 . 1 . . . A 19 THR N . 19549 1 228 . 1 1 20 20 ILE H H 1 8.933 0.000 . 1 . . . A 20 ILE H . 19549 1 229 . 1 1 20 20 ILE HA H 1 4.929 0.000 . 1 . . . A 20 ILE HA . 19549 1 230 . 1 1 20 20 ILE HB H 1 1.596 0.000 . 1 . . . A 20 ILE HB . 19549 1 231 . 1 1 20 20 ILE HG12 H 1 1.227 0.000 . 2 . . . A 20 ILE HG12 . 19549 1 232 . 1 1 20 20 ILE HG13 H 1 0.925 0.000 . 2 . . . A 20 ILE HG13 . 19549 1 233 . 1 1 20 20 ILE HG21 H 1 0.560 0.000 . 1 . . . A 20 ILE HG21 . 19549 1 234 . 1 1 20 20 ILE HG22 H 1 0.560 0.000 . 1 . . . A 20 ILE HG22 . 19549 1 235 . 1 1 20 20 ILE HG23 H 1 0.560 0.000 . 1 . . . A 20 ILE HG23 . 19549 1 236 . 1 1 20 20 ILE HD11 H 1 0.522 0.000 . 1 . . . A 20 ILE HD11 . 19549 1 237 . 1 1 20 20 ILE HD12 H 1 0.522 0.000 . 1 . . . A 20 ILE HD12 . 19549 1 238 . 1 1 20 20 ILE HD13 H 1 0.522 0.000 . 1 . . . A 20 ILE HD13 . 19549 1 239 . 1 1 20 20 ILE CA C 13 58.829 0.000 . 1 . . . A 20 ILE CA . 19549 1 240 . 1 1 20 20 ILE CB C 13 40.386 0.000 . 1 . . . A 20 ILE CB . 19549 1 241 . 1 1 20 20 ILE CG1 C 13 27.383 0.022 . 1 . . . A 20 ILE CG1 . 19549 1 242 . 1 1 20 20 ILE CG2 C 13 17.367 0.000 . 1 . . . A 20 ILE CG2 . 19549 1 243 . 1 1 20 20 ILE CD1 C 13 14.251 0.000 . 1 . . . A 20 ILE CD1 . 19549 1 244 . 1 1 20 20 ILE N N 15 123.522 0.000 . 1 . . . A 20 ILE N . 19549 1 245 . 1 1 21 21 THR H H 1 9.395 0.000 . 1 . . . A 21 THR H . 19549 1 246 . 1 1 21 21 THR HA H 1 4.830 0.000 . 1 . . . A 21 THR HA . 19549 1 247 . 1 1 21 21 THR HB H 1 3.334 0.000 . 1 . . . A 21 THR HB . 19549 1 248 . 1 1 21 21 THR HG21 H 1 0.817 0.000 . 1 . . . A 21 THR HG21 . 19549 1 249 . 1 1 21 21 THR HG22 H 1 0.817 0.000 . 1 . . . A 21 THR HG22 . 19549 1 250 . 1 1 21 21 THR HG23 H 1 0.817 0.000 . 1 . . . A 21 THR HG23 . 19549 1 251 . 1 1 21 21 THR CA C 13 61.581 0.000 . 1 . . . A 21 THR CA . 19549 1 252 . 1 1 21 21 THR CB C 13 72.037 0.000 . 1 . . . A 21 THR CB . 19549 1 253 . 1 1 21 21 THR CG2 C 13 21.225 0.000 . 1 . . . A 21 THR CG2 . 19549 1 254 . 1 1 21 21 THR N N 15 123.651 0.000 . 1 . . . A 21 THR N . 19549 1 255 . 1 1 22 22 ILE H H 1 8.108 0.000 . 1 . . . A 22 ILE H . 19549 1 256 . 1 1 22 22 ILE HA H 1 4.061 0.000 . 1 . . . A 22 ILE HA . 19549 1 257 . 1 1 22 22 ILE HB H 1 2.435 0.000 . 1 . . . A 22 ILE HB . 19549 1 258 . 1 1 22 22 ILE HG12 H 1 1.550 0.000 . 2 . . . A 22 ILE HG12 . 19549 1 259 . 1 1 22 22 ILE HG13 H 1 0.996 0.000 . 2 . . . A 22 ILE HG13 . 19549 1 260 . 1 1 22 22 ILE HG21 H 1 0.662 0.000 . 1 . . . A 22 ILE HG21 . 19549 1 261 . 1 1 22 22 ILE HG22 H 1 0.662 0.000 . 1 . . . A 22 ILE HG22 . 19549 1 262 . 1 1 22 22 ILE HG23 H 1 0.662 0.000 . 1 . . . A 22 ILE HG23 . 19549 1 263 . 1 1 22 22 ILE HD11 H 1 0.448 0.000 . 1 . . . A 22 ILE HD11 . 19549 1 264 . 1 1 22 22 ILE HD12 H 1 0.448 0.000 . 1 . . . A 22 ILE HD12 . 19549 1 265 . 1 1 22 22 ILE HD13 H 1 0.448 0.000 . 1 . . . A 22 ILE HD13 . 19549 1 266 . 1 1 22 22 ILE CA C 13 59.160 0.000 . 1 . . . A 22 ILE CA . 19549 1 267 . 1 1 22 22 ILE CB C 13 33.845 0.000 . 1 . . . A 22 ILE CB . 19549 1 268 . 1 1 22 22 ILE CG1 C 13 26.898 0.095 . 1 . . . A 22 ILE CG1 . 19549 1 269 . 1 1 22 22 ILE CG2 C 13 18.328 0.000 . 1 . . . A 22 ILE CG2 . 19549 1 270 . 1 1 22 22 ILE CD1 C 13 8.885 0.000 . 1 . . . A 22 ILE CD1 . 19549 1 271 . 1 1 22 22 ILE N N 15 125.699 0.000 . 1 . . . A 22 ILE N . 19549 1 272 . 1 1 23 23 LEU H H 1 8.756 0.000 . 1 . . . A 23 LEU H . 19549 1 273 . 1 1 23 23 LEU HA H 1 4.594 0.000 . 1 . . . A 23 LEU HA . 19549 1 274 . 1 1 23 23 LEU HB2 H 1 1.396 0.011 . 2 . . . A 23 LEU HB2 . 19549 1 275 . 1 1 23 23 LEU HB3 H 1 1.168 0.002 . 2 . . . A 23 LEU HB3 . 19549 1 276 . 1 1 23 23 LEU HG H 1 1.397 0.000 . 1 . . . A 23 LEU HG . 19549 1 277 . 1 1 23 23 LEU HD11 H 1 0.484 0.002 . 2 . . . A 23 LEU HD11 . 19549 1 278 . 1 1 23 23 LEU HD12 H 1 0.484 0.002 . 2 . . . A 23 LEU HD12 . 19549 1 279 . 1 1 23 23 LEU HD13 H 1 0.484 0.002 . 2 . . . A 23 LEU HD13 . 19549 1 280 . 1 1 23 23 LEU HD21 H 1 0.417 0.003 . 2 . . . A 23 LEU HD21 . 19549 1 281 . 1 1 23 23 LEU HD22 H 1 0.417 0.003 . 2 . . . A 23 LEU HD22 . 19549 1 282 . 1 1 23 23 LEU HD23 H 1 0.417 0.003 . 2 . . . A 23 LEU HD23 . 19549 1 283 . 1 1 23 23 LEU CA C 13 56.030 0.000 . 1 . . . A 23 LEU CA . 19549 1 284 . 1 1 23 23 LEU CB C 13 42.217 0.069 . 1 . . . A 23 LEU CB . 19549 1 285 . 1 1 23 23 LEU CG C 13 26.712 0.000 . 1 . . . A 23 LEU CG . 19549 1 286 . 1 1 23 23 LEU CD1 C 13 26.384 0.047 . 2 . . . A 23 LEU CD1 . 19549 1 287 . 1 1 23 23 LEU CD2 C 13 21.701 0.050 . 2 . . . A 23 LEU CD2 . 19549 1 288 . 1 1 23 23 LEU N N 15 129.578 0.000 . 1 . . . A 23 LEU N . 19549 1 289 . 1 1 24 24 GLY H H 1 7.514 0.005 . 1 . . . A 24 GLY H . 19549 1 290 . 1 1 24 24 GLY HA2 H 1 4.119 0.000 . 2 . . . A 24 GLY HA2 . 19549 1 291 . 1 1 24 24 GLY HA3 H 1 3.919 0.000 . 2 . . . A 24 GLY HA3 . 19549 1 292 . 1 1 24 24 GLY CA C 13 45.970 0.072 . 1 . . . A 24 GLY CA . 19549 1 293 . 1 1 24 24 GLY N N 15 104.272 0.000 . 1 . . . A 24 GLY N . 19549 1 294 . 1 1 25 25 VAL H H 1 8.395 0.000 . 1 . . . A 25 VAL H . 19549 1 295 . 1 1 25 25 VAL HA H 1 4.647 0.000 . 1 . . . A 25 VAL HA . 19549 1 296 . 1 1 25 25 VAL HB H 1 1.744 0.000 . 1 . . . A 25 VAL HB . 19549 1 297 . 1 1 25 25 VAL HG11 H 1 0.666 0.000 . 2 . . . A 25 VAL HG11 . 19549 1 298 . 1 1 25 25 VAL HG12 H 1 0.666 0.000 . 2 . . . A 25 VAL HG12 . 19549 1 299 . 1 1 25 25 VAL HG13 H 1 0.666 0.000 . 2 . . . A 25 VAL HG13 . 19549 1 300 . 1 1 25 25 VAL HG21 H 1 0.756 0.000 . 2 . . . A 25 VAL HG21 . 19549 1 301 . 1 1 25 25 VAL HG22 H 1 0.756 0.000 . 2 . . . A 25 VAL HG22 . 19549 1 302 . 1 1 25 25 VAL HG23 H 1 0.756 0.000 . 2 . . . A 25 VAL HG23 . 19549 1 303 . 1 1 25 25 VAL CA C 13 61.531 0.000 . 1 . . . A 25 VAL CA . 19549 1 304 . 1 1 25 25 VAL CB C 13 35.904 0.000 . 1 . . . A 25 VAL CB . 19549 1 305 . 1 1 25 25 VAL CG1 C 13 21.694 0.000 . 2 . . . A 25 VAL CG1 . 19549 1 306 . 1 1 25 25 VAL CG2 C 13 22.067 0.000 . 2 . . . A 25 VAL CG2 . 19549 1 307 . 1 1 25 25 VAL N N 15 120.134 0.000 . 1 . . . A 25 VAL N . 19549 1 308 . 1 1 26 26 SER H H 1 8.572 0.000 . 1 . . . A 26 SER H . 19549 1 309 . 1 1 26 26 SER HA H 1 4.603 0.000 . 1 . . . A 26 SER HA . 19549 1 310 . 1 1 26 26 SER HB2 H 1 3.715 0.000 . 2 . . . A 26 SER HB2 . 19549 1 311 . 1 1 26 26 SER HB3 H 1 3.621 0.000 . 2 . . . A 26 SER HB3 . 19549 1 312 . 1 1 26 26 SER CA C 13 54.493 0.000 . 1 . . . A 26 SER CA . 19549 1 313 . 1 1 26 26 SER CB C 13 63.660 0.002 . 1 . . . A 26 SER CB . 19549 1 314 . 1 1 26 26 SER N N 15 121.285 0.000 . 1 . . . A 26 SER N . 19549 1 315 . 1 1 27 27 GLY H H 1 9.023 0.000 . 1 . . . A 27 GLY H . 19549 1 316 . 1 1 27 27 GLY HA2 H 1 3.592 0.000 . 2 . . . A 27 GLY HA2 . 19549 1 317 . 1 1 27 27 GLY HA3 H 1 3.945 0.000 . 2 . . . A 27 GLY HA3 . 19549 1 318 . 1 1 27 27 GLY CA C 13 47.497 0.009 . 1 . . . A 27 GLY CA . 19549 1 319 . 1 1 27 27 GLY N N 15 118.284 0.000 . 1 . . . A 27 GLY N . 19549 1 320 . 1 1 28 28 GLN H H 1 8.677 0.000 . 1 . . . A 28 GLN H . 19549 1 321 . 1 1 28 28 GLN HA H 1 4.279 0.004 . 1 . . . A 28 GLN HA . 19549 1 322 . 1 1 28 28 GLN HB2 H 1 2.344 0.000 . 2 . . . A 28 GLN HB2 . 19549 1 323 . 1 1 28 28 GLN HB3 H 1 1.932 0.000 . 2 . . . A 28 GLN HB3 . 19549 1 324 . 1 1 28 28 GLN HG2 H 1 2.314 0.000 . 2 . . . A 28 GLN HG2 . 19549 1 325 . 1 1 28 28 GLN HG3 H 1 2.282 0.000 . 2 . . . A 28 GLN HG3 . 19549 1 326 . 1 1 28 28 GLN HE21 H 1 6.788 0.000 . 2 . . . A 28 GLN HE21 . 19549 1 327 . 1 1 28 28 GLN HE22 H 1 7.385 0.000 . 2 . . . A 28 GLN HE22 . 19549 1 328 . 1 1 28 28 GLN CA C 13 55.059 0.000 . 1 . . . A 28 GLN CA . 19549 1 329 . 1 1 28 28 GLN CB C 13 29.318 0.007 . 1 . . . A 28 GLN CB . 19549 1 330 . 1 1 28 28 GLN CG C 13 34.309 0.001 . 1 . . . A 28 GLN CG . 19549 1 331 . 1 1 28 28 GLN N N 15 124.451 0.000 . 1 . . . A 28 GLN N . 19549 1 332 . 1 1 28 28 GLN NE2 N 15 112.466 0.050 . 1 . . . A 28 GLN NE2 . 19549 1 333 . 1 1 29 29 GLN H H 1 8.008 0.003 . 1 . . . A 29 GLN H . 19549 1 334 . 1 1 29 29 GLN HA H 1 4.634 0.000 . 1 . . . A 29 GLN HA . 19549 1 335 . 1 1 29 29 GLN HB2 H 1 2.006 0.000 . 2 . . . A 29 GLN HB2 . 19549 1 336 . 1 1 29 29 GLN HB3 H 1 2.006 0.000 . 2 . . . A 29 GLN HB3 . 19549 1 337 . 1 1 29 29 GLN HG2 H 1 2.197 0.000 . 2 . . . A 29 GLN HG2 . 19549 1 338 . 1 1 29 29 GLN HG3 H 1 2.043 0.005 . 2 . . . A 29 GLN HG3 . 19549 1 339 . 1 1 29 29 GLN HE21 H 1 6.832 0.000 . 2 . . . A 29 GLN HE21 . 19549 1 340 . 1 1 29 29 GLN HE22 H 1 7.346 0.000 . 2 . . . A 29 GLN HE22 . 19549 1 341 . 1 1 29 29 GLN CA C 13 55.294 0.000 . 1 . . . A 29 GLN CA . 19549 1 342 . 1 1 29 29 GLN CB C 13 31.664 0.000 . 1 . . . A 29 GLN CB . 19549 1 343 . 1 1 29 29 GLN CG C 13 34.723 0.009 . 1 . . . A 29 GLN CG . 19549 1 344 . 1 1 29 29 GLN N N 15 117.498 0.040 . 1 . . . A 29 GLN N . 19549 1 345 . 1 1 29 29 GLN NE2 N 15 111.560 0.002 . 1 . . . A 29 GLN NE2 . 19549 1 346 . 1 1 30 30 VAL H H 1 9.147 0.006 . 1 . . . A 30 VAL H . 19549 1 347 . 1 1 30 30 VAL HA H 1 4.529 0.000 . 1 . . . A 30 VAL HA . 19549 1 348 . 1 1 30 30 VAL HB H 1 1.937 0.000 . 1 . . . A 30 VAL HB . 19549 1 349 . 1 1 30 30 VAL HG11 H 1 0.890 0.000 . 2 . . . A 30 VAL HG11 . 19549 1 350 . 1 1 30 30 VAL HG12 H 1 0.890 0.000 . 2 . . . A 30 VAL HG12 . 19549 1 351 . 1 1 30 30 VAL HG13 H 1 0.890 0.000 . 2 . . . A 30 VAL HG13 . 19549 1 352 . 1 1 30 30 VAL HG21 H 1 0.812 0.000 . 2 . . . A 30 VAL HG21 . 19549 1 353 . 1 1 30 30 VAL HG22 H 1 0.812 0.000 . 2 . . . A 30 VAL HG22 . 19549 1 354 . 1 1 30 30 VAL HG23 H 1 0.812 0.000 . 2 . . . A 30 VAL HG23 . 19549 1 355 . 1 1 30 30 VAL CA C 13 60.568 0.000 . 1 . . . A 30 VAL CA . 19549 1 356 . 1 1 30 30 VAL CB C 13 34.606 0.000 . 1 . . . A 30 VAL CB . 19549 1 357 . 1 1 30 30 VAL CG1 C 13 22.578 0.000 . 2 . . . A 30 VAL CG1 . 19549 1 358 . 1 1 30 30 VAL CG2 C 13 22.708 0.000 . 2 . . . A 30 VAL CG2 . 19549 1 359 . 1 1 30 30 VAL N N 15 124.525 0.088 . 1 . . . A 30 VAL N . 19549 1 360 . 1 1 31 31 ARG H H 1 8.690 0.000 . 1 . . . A 31 ARG H . 19549 1 361 . 1 1 31 31 ARG HA H 1 4.637 0.000 . 1 . . . A 31 ARG HA . 19549 1 362 . 1 1 31 31 ARG HB2 H 1 1.430 0.000 . 2 . . . A 31 ARG HB2 . 19549 1 363 . 1 1 31 31 ARG HB3 H 1 1.406 0.008 . 2 . . . A 31 ARG HB3 . 19549 1 364 . 1 1 31 31 ARG HG2 H 1 1.284 0.000 . 2 . . . A 31 ARG HG2 . 19549 1 365 . 1 1 31 31 ARG HG3 H 1 1.138 0.000 . 2 . . . A 31 ARG HG3 . 19549 1 366 . 1 1 31 31 ARG HD2 H 1 2.874 0.002 . 2 . . . A 31 ARG HD2 . 19549 1 367 . 1 1 31 31 ARG HD3 H 1 2.874 0.002 . 2 . . . A 31 ARG HD3 . 19549 1 368 . 1 1 31 31 ARG HE H 1 7.600 0.000 . 1 . . . A 31 ARG HE . 19549 1 369 . 1 1 31 31 ARG CA C 13 55.501 0.000 . 1 . . . A 31 ARG CA . 19549 1 370 . 1 1 31 31 ARG CB C 13 31.889 0.009 . 1 . . . A 31 ARG CB . 19549 1 371 . 1 1 31 31 ARG CG C 13 28.625 0.059 . 1 . . . A 31 ARG CG . 19549 1 372 . 1 1 31 31 ARG CD C 13 43.188 0.031 . 1 . . . A 31 ARG CD . 19549 1 373 . 1 1 31 31 ARG N N 15 128.593 0.000 . 1 . . . A 31 ARG N . 19549 1 374 . 1 1 31 31 ARG NE N 15 83.298 0.000 . 1 . . . A 31 ARG NE . 19549 1 375 . 1 1 32 32 ILE H H 1 9.114 0.000 . 1 . . . A 32 ILE H . 19549 1 376 . 1 1 32 32 ILE HA H 1 4.613 0.000 . 1 . . . A 32 ILE HA . 19549 1 377 . 1 1 32 32 ILE HB H 1 1.578 0.000 . 1 . . . A 32 ILE HB . 19549 1 378 . 1 1 32 32 ILE HG12 H 1 1.403 0.000 . 2 . . . A 32 ILE HG12 . 19549 1 379 . 1 1 32 32 ILE HG13 H 1 0.767 0.000 . 2 . . . A 32 ILE HG13 . 19549 1 380 . 1 1 32 32 ILE HG21 H 1 0.593 0.000 . 1 . . . A 32 ILE HG21 . 19549 1 381 . 1 1 32 32 ILE HG22 H 1 0.593 0.000 . 1 . . . A 32 ILE HG22 . 19549 1 382 . 1 1 32 32 ILE HG23 H 1 0.593 0.000 . 1 . . . A 32 ILE HG23 . 19549 1 383 . 1 1 32 32 ILE HD11 H 1 0.516 0.000 . 1 . . . A 32 ILE HD11 . 19549 1 384 . 1 1 32 32 ILE HD12 H 1 0.516 0.000 . 1 . . . A 32 ILE HD12 . 19549 1 385 . 1 1 32 32 ILE HD13 H 1 0.516 0.000 . 1 . . . A 32 ILE HD13 . 19549 1 386 . 1 1 32 32 ILE CA C 13 59.838 0.000 . 1 . . . A 32 ILE CA . 19549 1 387 . 1 1 32 32 ILE CB C 13 41.183 0.000 . 1 . . . A 32 ILE CB . 19549 1 388 . 1 1 32 32 ILE CG1 C 13 28.112 0.056 . 1 . . . A 32 ILE CG1 . 19549 1 389 . 1 1 32 32 ILE CG2 C 13 18.265 0.000 . 1 . . . A 32 ILE CG2 . 19549 1 390 . 1 1 32 32 ILE CD1 C 13 14.066 0.000 . 1 . . . A 32 ILE CD1 . 19549 1 391 . 1 1 32 32 ILE N N 15 127.666 0.000 . 1 . . . A 32 ILE N . 19549 1 392 . 1 1 33 33 GLY H H 1 9.177 0.000 . 1 . . . A 33 GLY H . 19549 1 393 . 1 1 33 33 GLY HA2 H 1 3.545 0.000 . 2 . . . A 33 GLY HA2 . 19549 1 394 . 1 1 33 33 GLY HA3 H 1 5.035 0.000 . 2 . . . A 33 GLY HA3 . 19549 1 395 . 1 1 33 33 GLY CA C 13 44.730 0.010 . 1 . . . A 33 GLY CA . 19549 1 396 . 1 1 33 33 GLY N N 15 112.830 0.000 . 1 . . . A 33 GLY N . 19549 1 397 . 1 1 34 34 ILE H H 1 9.637 0.000 . 1 . . . A 34 ILE H . 19549 1 398 . 1 1 34 34 ILE HA H 1 4.803 0.000 . 1 . . . A 34 ILE HA . 19549 1 399 . 1 1 34 34 ILE HB H 1 1.549 0.000 . 1 . . . A 34 ILE HB . 19549 1 400 . 1 1 34 34 ILE HG12 H 1 1.285 0.000 . 2 . . . A 34 ILE HG12 . 19549 1 401 . 1 1 34 34 ILE HG13 H 1 0.798 0.000 . 2 . . . A 34 ILE HG13 . 19549 1 402 . 1 1 34 34 ILE HG21 H 1 0.639 0.000 . 1 . . . A 34 ILE HG21 . 19549 1 403 . 1 1 34 34 ILE HG22 H 1 0.639 0.000 . 1 . . . A 34 ILE HG22 . 19549 1 404 . 1 1 34 34 ILE HG23 H 1 0.639 0.000 . 1 . . . A 34 ILE HG23 . 19549 1 405 . 1 1 34 34 ILE HD11 H 1 0.588 0.000 . 1 . . . A 34 ILE HD11 . 19549 1 406 . 1 1 34 34 ILE HD12 H 1 0.588 0.000 . 1 . . . A 34 ILE HD12 . 19549 1 407 . 1 1 34 34 ILE HD13 H 1 0.588 0.000 . 1 . . . A 34 ILE HD13 . 19549 1 408 . 1 1 34 34 ILE CA C 13 61.001 0.000 . 1 . . . A 34 ILE CA . 19549 1 409 . 1 1 34 34 ILE CB C 13 41.080 0.000 . 1 . . . A 34 ILE CB . 19549 1 410 . 1 1 34 34 ILE CG1 C 13 29.282 0.075 . 1 . . . A 34 ILE CG1 . 19549 1 411 . 1 1 34 34 ILE CG2 C 13 19.351 0.000 . 1 . . . A 34 ILE CG2 . 19549 1 412 . 1 1 34 34 ILE CD1 C 13 16.188 0.000 . 1 . . . A 34 ILE CD1 . 19549 1 413 . 1 1 34 34 ILE N N 15 125.226 0.000 . 1 . . . A 34 ILE N . 19549 1 414 . 1 1 35 35 ASN H H 1 9.029 0.000 . 1 . . . A 35 ASN H . 19549 1 415 . 1 1 35 35 ASN HA H 1 5.094 0.000 . 1 . . . A 35 ASN HA . 19549 1 416 . 1 1 35 35 ASN HB2 H 1 2.836 0.000 . 2 . . . A 35 ASN HB2 . 19549 1 417 . 1 1 35 35 ASN HB3 H 1 2.554 0.000 . 2 . . . A 35 ASN HB3 . 19549 1 418 . 1 1 35 35 ASN HD21 H 1 6.737 0.000 . 2 . . . A 35 ASN HD21 . 19549 1 419 . 1 1 35 35 ASN HD22 H 1 7.320 0.000 . 2 . . . A 35 ASN HD22 . 19549 1 420 . 1 1 35 35 ASN CA C 13 52.185 0.000 . 1 . . . A 35 ASN CA . 19549 1 421 . 1 1 35 35 ASN CB C 13 40.108 0.075 . 1 . . . A 35 ASN CB . 19549 1 422 . 1 1 35 35 ASN N N 15 129.590 0.000 . 1 . . . A 35 ASN N . 19549 1 423 . 1 1 35 35 ASN ND2 N 15 112.589 0.019 . 1 . . . A 35 ASN ND2 . 19549 1 424 . 1 1 36 36 ALA H H 1 8.208 0.000 . 1 . . . A 36 ALA H . 19549 1 425 . 1 1 36 36 ALA HA H 1 5.063 0.000 . 1 . . . A 36 ALA HA . 19549 1 426 . 1 1 36 36 ALA HB1 H 1 1.064 0.004 . 1 . . . A 36 ALA HB1 . 19549 1 427 . 1 1 36 36 ALA HB2 H 1 1.064 0.004 . 1 . . . A 36 ALA HB2 . 19549 1 428 . 1 1 36 36 ALA HB3 H 1 1.064 0.004 . 1 . . . A 36 ALA HB3 . 19549 1 429 . 1 1 36 36 ALA CA C 13 49.365 0.000 . 1 . . . A 36 ALA CA . 19549 1 430 . 1 1 36 36 ALA CB C 13 19.873 0.109 . 1 . . . A 36 ALA CB . 19549 1 431 . 1 1 36 36 ALA N N 15 125.688 0.043 . 1 . . . A 36 ALA N . 19549 1 432 . 1 1 37 37 PRO HA H 1 4.415 0.000 . 1 . . . A 37 PRO HA . 19549 1 433 . 1 1 37 37 PRO HB2 H 1 2.424 0.000 . 2 . . . A 37 PRO HB2 . 19549 1 434 . 1 1 37 37 PRO HB3 H 1 2.075 0.000 . 2 . . . A 37 PRO HB3 . 19549 1 435 . 1 1 37 37 PRO HG2 H 1 2.090 0.000 . 2 . . . A 37 PRO HG2 . 19549 1 436 . 1 1 37 37 PRO HG3 H 1 1.936 0.000 . 2 . . . A 37 PRO HG3 . 19549 1 437 . 1 1 37 37 PRO HD2 H 1 3.940 0.000 . 2 . . . A 37 PRO HD2 . 19549 1 438 . 1 1 37 37 PRO HD3 H 1 3.059 0.000 . 2 . . . A 37 PRO HD3 . 19549 1 439 . 1 1 37 37 PRO CA C 13 62.916 0.000 . 1 . . . A 37 PRO CA . 19549 1 440 . 1 1 37 37 PRO CB C 13 32.477 0.037 . 1 . . . A 37 PRO CB . 19549 1 441 . 1 1 37 37 PRO CG C 13 28.184 0.021 . 1 . . . A 37 PRO CG . 19549 1 442 . 1 1 37 37 PRO CD C 13 50.408 0.000 . 1 . . . A 37 PRO CD . 19549 1 443 . 1 1 38 38 LYS H H 1 8.550 0.004 . 1 . . . A 38 LYS H . 19549 1 444 . 1 1 38 38 LYS HA H 1 3.825 0.002 . 1 . . . A 38 LYS HA . 19549 1 445 . 1 1 38 38 LYS HB2 H 1 1.706 0.002 . 2 . . . A 38 LYS HB2 . 19549 1 446 . 1 1 38 38 LYS HG2 H 1 1.423 0.005 . 2 . . . A 38 LYS HG2 . 19549 1 447 . 1 1 38 38 LYS HG3 H 1 1.400 0.000 . 2 . . . A 38 LYS HG3 . 19549 1 448 . 1 1 38 38 LYS HD2 H 1 1.555 0.009 . 2 . . . A 38 LYS HD2 . 19549 1 449 . 1 1 38 38 LYS HD3 H 1 1.541 0.020 . 2 . . . A 38 LYS HD3 . 19549 1 450 . 1 1 38 38 LYS HE2 H 1 2.934 0.007 . 2 . . . A 38 LYS HE2 . 19549 1 451 . 1 1 38 38 LYS HE3 H 1 2.934 0.007 . 2 . . . A 38 LYS HE3 . 19549 1 452 . 1 1 38 38 LYS CA C 13 58.927 0.010 . 1 . . . A 38 LYS CA . 19549 1 453 . 1 1 38 38 LYS CB C 13 32.014 0.021 . 1 . . . A 38 LYS CB . 19549 1 454 . 1 1 38 38 LYS CG C 13 25.063 0.041 . 1 . . . A 38 LYS CG . 19549 1 455 . 1 1 38 38 LYS CD C 13 28.366 0.164 . 1 . . . A 38 LYS CD . 19549 1 456 . 1 1 38 38 LYS CE C 13 42.209 0.078 . 1 . . . A 38 LYS CE . 19549 1 457 . 1 1 38 38 LYS N N 15 121.103 0.039 . 1 . . . A 38 LYS N . 19549 1 458 . 1 1 39 39 ASP H H 1 8.143 0.003 . 1 . . . A 39 ASP H . 19549 1 459 . 1 1 39 39 ASP HA H 1 4.374 0.000 . 1 . . . A 39 ASP HA . 19549 1 460 . 1 1 39 39 ASP HB2 H 1 2.669 0.000 . 2 . . . A 39 ASP HB2 . 19549 1 461 . 1 1 39 39 ASP HB3 H 1 2.552 0.000 . 2 . . . A 39 ASP HB3 . 19549 1 462 . 1 1 39 39 ASP CA C 13 54.078 0.000 . 1 . . . A 39 ASP CA . 19549 1 463 . 1 1 39 39 ASP CB C 13 39.822 0.004 . 1 . . . A 39 ASP CB . 19549 1 464 . 1 1 39 39 ASP N N 15 113.829 0.019 . 1 . . . A 39 ASP N . 19549 1 465 . 1 1 40 40 VAL H H 1 8.020 0.002 . 1 . . . A 40 VAL H . 19549 1 466 . 1 1 40 40 VAL HA H 1 3.980 0.000 . 1 . . . A 40 VAL HA . 19549 1 467 . 1 1 40 40 VAL HB H 1 2.070 0.007 . 1 . . . A 40 VAL HB . 19549 1 468 . 1 1 40 40 VAL HG11 H 1 0.810 0.001 . 2 . . . A 40 VAL HG11 . 19549 1 469 . 1 1 40 40 VAL HG12 H 1 0.810 0.001 . 2 . . . A 40 VAL HG12 . 19549 1 470 . 1 1 40 40 VAL HG13 H 1 0.810 0.001 . 2 . . . A 40 VAL HG13 . 19549 1 471 . 1 1 40 40 VAL HG21 H 1 0.664 0.003 . 2 . . . A 40 VAL HG21 . 19549 1 472 . 1 1 40 40 VAL HG22 H 1 0.664 0.003 . 2 . . . A 40 VAL HG22 . 19549 1 473 . 1 1 40 40 VAL HG23 H 1 0.664 0.003 . 2 . . . A 40 VAL HG23 . 19549 1 474 . 1 1 40 40 VAL CA C 13 62.040 0.000 . 1 . . . A 40 VAL CA . 19549 1 475 . 1 1 40 40 VAL CB C 13 31.928 0.020 . 1 . . . A 40 VAL CB . 19549 1 476 . 1 1 40 40 VAL CG1 C 13 21.431 0.052 . 2 . . . A 40 VAL CG1 . 19549 1 477 . 1 1 40 40 VAL CG2 C 13 21.188 0.174 . 2 . . . A 40 VAL CG2 . 19549 1 478 . 1 1 40 40 VAL N N 15 122.624 0.024 . 1 . . . A 40 VAL N . 19549 1 479 . 1 1 41 41 ALA H H 1 8.897 0.000 . 1 . . . A 41 ALA H . 19549 1 480 . 1 1 41 41 ALA HA H 1 4.474 0.000 . 1 . . . A 41 ALA HA . 19549 1 481 . 1 1 41 41 ALA HB1 H 1 1.324 0.003 . 1 . . . A 41 ALA HB1 . 19549 1 482 . 1 1 41 41 ALA HB2 H 1 1.324 0.003 . 1 . . . A 41 ALA HB2 . 19549 1 483 . 1 1 41 41 ALA HB3 H 1 1.324 0.003 . 1 . . . A 41 ALA HB3 . 19549 1 484 . 1 1 41 41 ALA CA C 13 52.263 0.000 . 1 . . . A 41 ALA CA . 19549 1 485 . 1 1 41 41 ALA CB C 13 19.155 0.044 . 1 . . . A 41 ALA CB . 19549 1 486 . 1 1 41 41 ALA N N 15 133.718 0.000 . 1 . . . A 41 ALA N . 19549 1 487 . 1 1 42 42 VAL H H 1 7.847 0.002 . 1 . . . A 42 VAL H . 19549 1 488 . 1 1 42 42 VAL HA H 1 4.434 0.000 . 1 . . . A 42 VAL HA . 19549 1 489 . 1 1 42 42 VAL HB H 1 1.201 0.000 . 1 . . . A 42 VAL HB . 19549 1 490 . 1 1 42 42 VAL HG11 H 1 0.620 0.002 . 2 . . . A 42 VAL HG11 . 19549 1 491 . 1 1 42 42 VAL HG12 H 1 0.620 0.002 . 2 . . . A 42 VAL HG12 . 19549 1 492 . 1 1 42 42 VAL HG13 H 1 0.620 0.002 . 2 . . . A 42 VAL HG13 . 19549 1 493 . 1 1 42 42 VAL HG21 H 1 0.388 0.009 . 2 . . . A 42 VAL HG21 . 19549 1 494 . 1 1 42 42 VAL HG22 H 1 0.388 0.009 . 2 . . . A 42 VAL HG22 . 19549 1 495 . 1 1 42 42 VAL HG23 H 1 0.388 0.009 . 2 . . . A 42 VAL HG23 . 19549 1 496 . 1 1 42 42 VAL CA C 13 60.771 0.000 . 1 . . . A 42 VAL CA . 19549 1 497 . 1 1 42 42 VAL CB C 13 33.599 0.000 . 1 . . . A 42 VAL CB . 19549 1 498 . 1 1 42 42 VAL CG1 C 13 20.382 0.090 . 2 . . . A 42 VAL CG1 . 19549 1 499 . 1 1 42 42 VAL CG2 C 13 22.173 0.000 . 2 . . . A 42 VAL CG2 . 19549 1 500 . 1 1 42 42 VAL N N 15 125.194 0.075 . 1 . . . A 42 VAL N . 19549 1 501 . 1 1 43 43 HIS H H 1 8.644 0.005 . 1 . . . A 43 HIS H . 19549 1 502 . 1 1 43 43 HIS HA H 1 5.566 0.004 . 1 . . . A 43 HIS HA . 19549 1 503 . 1 1 43 43 HIS HB2 H 1 3.335 0.000 . 2 . . . A 43 HIS HB2 . 19549 1 504 . 1 1 43 43 HIS HB3 H 1 2.556 0.004 . 2 . . . A 43 HIS HB3 . 19549 1 505 . 1 1 43 43 HIS HD2 H 1 6.969 0.003 . 1 . . . A 43 HIS HD2 . 19549 1 506 . 1 1 43 43 HIS HE1 H 1 7.785 0.007 . 1 . . . A 43 HIS HE1 . 19549 1 507 . 1 1 43 43 HIS CA C 13 53.931 0.000 . 1 . . . A 43 HIS CA . 19549 1 508 . 1 1 43 43 HIS CB C 13 37.649 0.001 . 1 . . . A 43 HIS CB . 19549 1 509 . 1 1 43 43 HIS CD2 C 13 117.176 0.108 . 1 . . . A 43 HIS CD2 . 19549 1 510 . 1 1 43 43 HIS CE1 C 13 138.839 0.000 . 1 . . . A 43 HIS CE1 . 19549 1 511 . 1 1 43 43 HIS N N 15 118.938 0.000 . 1 . . . A 43 HIS N . 19549 1 512 . 1 1 44 44 ARG H H 1 8.828 0.002 . 1 . . . A 44 ARG H . 19549 1 513 . 1 1 44 44 ARG HA H 1 3.970 0.001 . 1 . . . A 44 ARG HA . 19549 1 514 . 1 1 44 44 ARG HD2 H 1 3.351 0.008 . 2 . . . A 44 ARG HD2 . 19549 1 515 . 1 1 44 44 ARG HD3 H 1 3.351 0.008 . 2 . . . A 44 ARG HD3 . 19549 1 516 . 1 1 44 44 ARG HE H 1 5.899 0.000 . 1 . . . A 44 ARG HE . 19549 1 517 . 1 1 44 44 ARG CA C 13 58.580 0.000 . 1 . . . A 44 ARG CA . 19549 1 518 . 1 1 44 44 ARG CD C 13 43.397 0.000 . 1 . . . A 44 ARG CD . 19549 1 519 . 1 1 44 44 ARG N N 15 122.301 0.034 . 1 . . . A 44 ARG N . 19549 1 520 . 1 1 44 44 ARG NE N 15 81.832 0.000 . 1 . . . A 44 ARG NE . 19549 1 521 . 1 1 45 45 GLU H H 1 7.895 0.003 . 1 . . . A 45 GLU H . 19549 1 522 . 1 1 45 45 GLU HA H 1 4.417 0.003 . 1 . . . A 45 GLU HA . 19549 1 523 . 1 1 45 45 GLU HB2 H 1 1.971 0.000 . 2 . . . A 45 GLU HB2 . 19549 1 524 . 1 1 45 45 GLU HB3 H 1 1.952 0.000 . 2 . . . A 45 GLU HB3 . 19549 1 525 . 1 1 45 45 GLU HG2 H 1 2.394 0.000 . 2 . . . A 45 GLU HG2 . 19549 1 526 . 1 1 45 45 GLU HG3 H 1 2.227 0.000 . 2 . . . A 45 GLU HG3 . 19549 1 527 . 1 1 45 45 GLU CA C 13 59.945 0.031 . 1 . . . A 45 GLU CA . 19549 1 528 . 1 1 45 45 GLU CB C 13 29.981 0.015 . 1 . . . A 45 GLU CB . 19549 1 529 . 1 1 45 45 GLU CG C 13 35.906 0.000 . 1 . . . A 45 GLU CG . 19549 1 530 . 1 1 45 45 GLU N N 15 126.010 0.000 . 1 . . . A 45 GLU N . 19549 1 531 . 1 1 46 46 GLU H H 1 10.765 0.000 . 1 . . . A 46 GLU H . 19549 1 532 . 1 1 46 46 GLU HA H 1 4.269 0.000 . 1 . . . A 46 GLU HA . 19549 1 533 . 1 1 46 46 GLU HB2 H 1 2.269 0.000 . 2 . . . A 46 GLU HB2 . 19549 1 534 . 1 1 46 46 GLU HB3 H 1 1.906 0.016 . 2 . . . A 46 GLU HB3 . 19549 1 535 . 1 1 46 46 GLU HG2 H 1 2.585 0.000 . 2 . . . A 46 GLU HG2 . 19549 1 536 . 1 1 46 46 GLU HG3 H 1 2.172 0.000 . 2 . . . A 46 GLU HG3 . 19549 1 537 . 1 1 46 46 GLU CA C 13 58.726 0.000 . 1 . . . A 46 GLU CA . 19549 1 538 . 1 1 46 46 GLU CB C 13 27.085 0.025 . 1 . . . A 46 GLU CB . 19549 1 539 . 1 1 46 46 GLU CG C 13 35.057 0.050 . 1 . . . A 46 GLU CG . 19549 1 540 . 1 1 46 46 GLU N N 15 118.177 0.000 . 1 . . . A 46 GLU N . 19549 1 541 . 1 1 47 47 ILE H H 1 7.197 0.004 . 1 . . . A 47 ILE H . 19549 1 542 . 1 1 47 47 ILE HA H 1 3.796 0.000 . 1 . . . A 47 ILE HA . 19549 1 543 . 1 1 47 47 ILE HB H 1 2.251 0.000 . 1 . . . A 47 ILE HB . 19549 1 544 . 1 1 47 47 ILE HG12 H 1 1.379 0.000 . 2 . . . A 47 ILE HG12 . 19549 1 545 . 1 1 47 47 ILE HG13 H 1 1.269 0.000 . 2 . . . A 47 ILE HG13 . 19549 1 546 . 1 1 47 47 ILE HG21 H 1 0.270 0.011 . 1 . . . A 47 ILE HG21 . 19549 1 547 . 1 1 47 47 ILE HG22 H 1 0.270 0.011 . 1 . . . A 47 ILE HG22 . 19549 1 548 . 1 1 47 47 ILE HG23 H 1 0.270 0.011 . 1 . . . A 47 ILE HG23 . 19549 1 549 . 1 1 47 47 ILE HD11 H 1 0.543 0.007 . 1 . . . A 47 ILE HD11 . 19549 1 550 . 1 1 47 47 ILE HD12 H 1 0.543 0.007 . 1 . . . A 47 ILE HD12 . 19549 1 551 . 1 1 47 47 ILE HD13 H 1 0.543 0.007 . 1 . . . A 47 ILE HD13 . 19549 1 552 . 1 1 47 47 ILE CA C 13 61.102 0.000 . 1 . . . A 47 ILE CA . 19549 1 553 . 1 1 47 47 ILE CB C 13 35.713 0.000 . 1 . . . A 47 ILE CB . 19549 1 554 . 1 1 47 47 ILE CG1 C 13 26.994 0.036 . 1 . . . A 47 ILE CG1 . 19549 1 555 . 1 1 47 47 ILE CG2 C 13 16.669 0.000 . 1 . . . A 47 ILE CG2 . 19549 1 556 . 1 1 47 47 ILE CD1 C 13 8.808 0.054 . 1 . . . A 47 ILE CD1 . 19549 1 557 . 1 1 47 47 ILE N N 15 122.543 0.009 . 1 . . . A 47 ILE N . 19549 1 558 . 1 1 48 48 TYR H H 1 8.134 0.006 . 1 . . . A 48 TYR H . 19549 1 559 . 1 1 48 48 TYR HA H 1 3.655 0.000 . 1 . . . A 48 TYR HA . 19549 1 560 . 1 1 48 48 TYR HB2 H 1 3.242 0.000 . 2 . . . A 48 TYR HB2 . 19549 1 561 . 1 1 48 48 TYR HB3 H 1 2.759 0.001 . 2 . . . A 48 TYR HB3 . 19549 1 562 . 1 1 48 48 TYR HD1 H 1 6.920 0.001 . 3 . . . A 48 TYR HD1 . 19549 1 563 . 1 1 48 48 TYR HD2 H 1 6.920 0.001 . 3 . . . A 48 TYR HD2 . 19549 1 564 . 1 1 48 48 TYR HE1 H 1 6.719 0.000 . 3 . . . A 48 TYR HE1 . 19549 1 565 . 1 1 48 48 TYR HE2 H 1 6.719 0.000 . 3 . . . A 48 TYR HE2 . 19549 1 566 . 1 1 48 48 TYR CA C 13 62.312 0.000 . 1 . . . A 48 TYR CA . 19549 1 567 . 1 1 48 48 TYR CB C 13 39.249 0.053 . 1 . . . A 48 TYR CB . 19549 1 568 . 1 1 48 48 TYR CD2 C 13 133.184 0.031 . 3 . . . A 48 TYR CD2 . 19549 1 569 . 1 1 48 48 TYR CE2 C 13 118.582 0.000 . 3 . . . A 48 TYR CE2 . 19549 1 570 . 1 1 48 48 TYR N N 15 122.234 0.037 . 1 . . . A 48 TYR N . 19549 1 571 . 1 1 49 49 GLN H H 1 8.658 0.000 . 1 . . . A 49 GLN H . 19549 1 572 . 1 1 49 49 GLN HA H 1 3.856 0.000 . 1 . . . A 49 GLN HA . 19549 1 573 . 1 1 49 49 GLN HB2 H 1 2.035 0.000 . 2 . . . A 49 GLN HB2 . 19549 1 574 . 1 1 49 49 GLN HB3 H 1 2.008 0.000 . 2 . . . A 49 GLN HB3 . 19549 1 575 . 1 1 49 49 GLN HG2 H 1 2.610 0.000 . 2 . . . A 49 GLN HG2 . 19549 1 576 . 1 1 49 49 GLN HG3 H 1 2.488 0.000 . 2 . . . A 49 GLN HG3 . 19549 1 577 . 1 1 49 49 GLN HE21 H 1 6.735 0.000 . 2 . . . A 49 GLN HE21 . 19549 1 578 . 1 1 49 49 GLN HE22 H 1 7.462 0.000 . 2 . . . A 49 GLN HE22 . 19549 1 579 . 1 1 49 49 GLN CA C 13 58.599 0.000 . 1 . . . A 49 GLN CA . 19549 1 580 . 1 1 49 49 GLN CB C 13 28.265 0.009 . 1 . . . A 49 GLN CB . 19549 1 581 . 1 1 49 49 GLN CG C 13 33.939 0.009 . 1 . . . A 49 GLN CG . 19549 1 582 . 1 1 49 49 GLN N N 15 115.293 0.000 . 1 . . . A 49 GLN N . 19549 1 583 . 1 1 49 49 GLN NE2 N 15 111.120 0.001 . 1 . . . A 49 GLN NE2 . 19549 1 584 . 1 1 50 50 ARG H H 1 7.135 0.000 . 1 . . . A 50 ARG H . 19549 1 585 . 1 1 50 50 ARG HA H 1 3.983 0.000 . 1 . . . A 50 ARG HA . 19549 1 586 . 1 1 50 50 ARG HB2 H 1 1.905 0.000 . 2 . . . A 50 ARG HB2 . 19549 1 587 . 1 1 50 50 ARG HB3 H 1 1.861 0.000 . 2 . . . A 50 ARG HB3 . 19549 1 588 . 1 1 50 50 ARG HG2 H 1 1.819 0.000 . 2 . . . A 50 ARG HG2 . 19549 1 589 . 1 1 50 50 ARG HG3 H 1 1.587 0.000 . 2 . . . A 50 ARG HG3 . 19549 1 590 . 1 1 50 50 ARG HD2 H 1 3.091 0.000 . 2 . . . A 50 ARG HD2 . 19549 1 591 . 1 1 50 50 ARG HD3 H 1 3.051 0.000 . 2 . . . A 50 ARG HD3 . 19549 1 592 . 1 1 50 50 ARG CA C 13 59.219 0.000 . 1 . . . A 50 ARG CA . 19549 1 593 . 1 1 50 50 ARG CB C 13 30.367 0.024 . 1 . . . A 50 ARG CB . 19549 1 594 . 1 1 50 50 ARG CG C 13 27.393 0.023 . 1 . . . A 50 ARG CG . 19549 1 595 . 1 1 50 50 ARG CD C 13 44.001 0.003 . 1 . . . A 50 ARG CD . 19549 1 596 . 1 1 50 50 ARG N N 15 120.188 0.000 . 1 . . . A 50 ARG N . 19549 1 597 . 1 1 51 51 ILE H H 1 7.897 0.000 . 1 . . . A 51 ILE H . 19549 1 598 . 1 1 51 51 ILE HA H 1 3.628 0.000 . 1 . . . A 51 ILE HA . 19549 1 599 . 1 1 51 51 ILE HB H 1 1.608 0.000 . 1 . . . A 51 ILE HB . 19549 1 600 . 1 1 51 51 ILE HG12 H 1 1.360 0.000 . 2 . . . A 51 ILE HG12 . 19549 1 601 . 1 1 51 51 ILE HG13 H 1 0.750 0.000 . 2 . . . A 51 ILE HG13 . 19549 1 602 . 1 1 51 51 ILE HG21 H 1 0.670 0.000 . 1 . . . A 51 ILE HG21 . 19549 1 603 . 1 1 51 51 ILE HG22 H 1 0.670 0.000 . 1 . . . A 51 ILE HG22 . 19549 1 604 . 1 1 51 51 ILE HG23 H 1 0.670 0.000 . 1 . . . A 51 ILE HG23 . 19549 1 605 . 1 1 51 51 ILE HD11 H 1 0.295 0.000 . 1 . . . A 51 ILE HD11 . 19549 1 606 . 1 1 51 51 ILE HD12 H 1 0.295 0.000 . 1 . . . A 51 ILE HD12 . 19549 1 607 . 1 1 51 51 ILE HD13 H 1 0.295 0.000 . 1 . . . A 51 ILE HD13 . 19549 1 608 . 1 1 51 51 ILE CA C 13 64.528 0.000 . 1 . . . A 51 ILE CA . 19549 1 609 . 1 1 51 51 ILE CB C 13 38.019 0.000 . 1 . . . A 51 ILE CB . 19549 1 610 . 1 1 51 51 ILE CG1 C 13 28.421 0.023 . 1 . . . A 51 ILE CG1 . 19549 1 611 . 1 1 51 51 ILE CG2 C 13 16.837 0.000 . 1 . . . A 51 ILE CG2 . 19549 1 612 . 1 1 51 51 ILE CD1 C 13 13.510 0.000 . 1 . . . A 51 ILE CD1 . 19549 1 613 . 1 1 51 51 ILE N N 15 120.791 0.000 . 1 . . . A 51 ILE N . 19549 1 614 . 1 1 52 52 GLN H H 1 7.915 0.000 . 1 . . . A 52 GLN H . 19549 1 615 . 1 1 52 52 GLN HA H 1 3.808 0.000 . 1 . . . A 52 GLN HA . 19549 1 616 . 1 1 52 52 GLN HB2 H 1 1.941 0.000 . 2 . . . A 52 GLN HB2 . 19549 1 617 . 1 1 52 52 GLN HB3 H 1 1.758 0.000 . 2 . . . A 52 GLN HB3 . 19549 1 618 . 1 1 52 52 GLN HG2 H 1 1.987 0.000 . 2 . . . A 52 GLN HG2 . 19549 1 619 . 1 1 52 52 GLN HG3 H 1 1.886 0.000 . 2 . . . A 52 GLN HG3 . 19549 1 620 . 1 1 52 52 GLN HE21 H 1 6.392 0.000 . 2 . . . A 52 GLN HE21 . 19549 1 621 . 1 1 52 52 GLN HE22 H 1 6.739 0.000 . 2 . . . A 52 GLN HE22 . 19549 1 622 . 1 1 52 52 GLN CA C 13 57.546 0.000 . 1 . . . A 52 GLN CA . 19549 1 623 . 1 1 52 52 GLN CB C 13 28.215 0.002 . 1 . . . A 52 GLN CB . 19549 1 624 . 1 1 52 52 GLN CG C 13 33.405 0.003 . 1 . . . A 52 GLN CG . 19549 1 625 . 1 1 52 52 GLN N N 15 118.963 0.000 . 1 . . . A 52 GLN N . 19549 1 626 . 1 1 52 52 GLN NE2 N 15 112.759 0.034 . 1 . . . A 52 GLN NE2 . 19549 1 627 . 1 1 53 53 ALA H H 1 7.558 0.000 . 1 . . . A 53 ALA H . 19549 1 628 . 1 1 53 53 ALA HA H 1 4.190 0.000 . 1 . . . A 53 ALA HA . 19549 1 629 . 1 1 53 53 ALA HB1 H 1 1.398 0.000 . 1 . . . A 53 ALA HB1 . 19549 1 630 . 1 1 53 53 ALA HB2 H 1 1.398 0.000 . 1 . . . A 53 ALA HB2 . 19549 1 631 . 1 1 53 53 ALA HB3 H 1 1.398 0.000 . 1 . . . A 53 ALA HB3 . 19549 1 632 . 1 1 53 53 ALA CA C 13 53.069 0.000 . 1 . . . A 53 ALA CA . 19549 1 633 . 1 1 53 53 ALA CB C 13 18.757 0.000 . 1 . . . A 53 ALA CB . 19549 1 634 . 1 1 53 53 ALA N N 15 120.242 0.000 . 1 . . . A 53 ALA N . 19549 1 635 . 1 1 54 54 GLY H H 1 7.714 0.000 . 1 . . . A 54 GLY H . 19549 1 636 . 1 1 54 54 GLY HA2 H 1 3.880 0.000 . 2 . . . A 54 GLY HA2 . 19549 1 637 . 1 1 54 54 GLY HA3 H 1 3.853 0.000 . 2 . . . A 54 GLY HA3 . 19549 1 638 . 1 1 54 54 GLY CA C 13 45.670 0.003 . 1 . . . A 54 GLY CA . 19549 1 639 . 1 1 54 54 GLY N N 15 105.982 0.000 . 1 . . . A 54 GLY N . 19549 1 640 . 1 1 55 55 LEU H H 1 7.725 0.000 . 1 . . . A 55 LEU H . 19549 1 641 . 1 1 55 55 LEU HA H 1 4.320 0.000 . 1 . . . A 55 LEU HA . 19549 1 642 . 1 1 55 55 LEU HB2 H 1 1.603 0.000 . 2 . . . A 55 LEU HB2 . 19549 1 643 . 1 1 55 55 LEU HB3 H 1 1.521 0.000 . 2 . . . A 55 LEU HB3 . 19549 1 644 . 1 1 55 55 LEU HG H 1 1.577 0.000 . 1 . . . A 55 LEU HG . 19549 1 645 . 1 1 55 55 LEU HD11 H 1 0.830 0.000 . 2 . . . A 55 LEU HD11 . 19549 1 646 . 1 1 55 55 LEU HD12 H 1 0.830 0.000 . 2 . . . A 55 LEU HD12 . 19549 1 647 . 1 1 55 55 LEU HD13 H 1 0.830 0.000 . 2 . . . A 55 LEU HD13 . 19549 1 648 . 1 1 55 55 LEU HD21 H 1 0.782 0.000 . 2 . . . A 55 LEU HD21 . 19549 1 649 . 1 1 55 55 LEU HD22 H 1 0.782 0.000 . 2 . . . A 55 LEU HD22 . 19549 1 650 . 1 1 55 55 LEU HD23 H 1 0.782 0.000 . 2 . . . A 55 LEU HD23 . 19549 1 651 . 1 1 55 55 LEU CA C 13 55.352 0.000 . 1 . . . A 55 LEU CA . 19549 1 652 . 1 1 55 55 LEU CB C 13 42.303 0.005 . 1 . . . A 55 LEU CB . 19549 1 653 . 1 1 55 55 LEU CG C 13 26.866 0.000 . 1 . . . A 55 LEU CG . 19549 1 654 . 1 1 55 55 LEU CD1 C 13 25.151 0.000 . 2 . . . A 55 LEU CD1 . 19549 1 655 . 1 1 55 55 LEU CD2 C 13 22.936 0.000 . 2 . . . A 55 LEU CD2 . 19549 1 656 . 1 1 55 55 LEU N N 15 120.632 0.000 . 1 . . . A 55 LEU N . 19549 1 657 . 1 1 56 56 THR H H 1 7.902 0.000 . 1 . . . A 56 THR H . 19549 1 658 . 1 1 56 56 THR HA H 1 4.258 0.000 . 1 . . . A 56 THR HA . 19549 1 659 . 1 1 56 56 THR HB H 1 4.095 0.000 . 1 . . . A 56 THR HB . 19549 1 660 . 1 1 56 56 THR HG21 H 1 1.083 0.000 . 1 . . . A 56 THR HG21 . 19549 1 661 . 1 1 56 56 THR HG22 H 1 1.083 0.000 . 1 . . . A 56 THR HG22 . 19549 1 662 . 1 1 56 56 THR HG23 H 1 1.083 0.000 . 1 . . . A 56 THR HG23 . 19549 1 663 . 1 1 56 56 THR CA C 13 61.410 0.000 . 1 . . . A 56 THR CA . 19549 1 664 . 1 1 56 56 THR CB C 13 70.101 0.000 . 1 . . . A 56 THR CB . 19549 1 665 . 1 1 56 56 THR CG2 C 13 21.595 0.000 . 1 . . . A 56 THR CG2 . 19549 1 666 . 1 1 56 56 THR N N 15 113.330 0.000 . 1 . . . A 56 THR N . 19549 1 667 . 1 1 57 57 ALA H H 1 8.050 0.000 . 1 . . . A 57 ALA H . 19549 1 668 . 1 1 57 57 ALA HA H 1 4.475 0.000 . 1 . . . A 57 ALA HA . 19549 1 669 . 1 1 57 57 ALA HB1 H 1 1.270 0.000 . 1 . . . A 57 ALA HB1 . 19549 1 670 . 1 1 57 57 ALA HB2 H 1 1.270 0.000 . 1 . . . A 57 ALA HB2 . 19549 1 671 . 1 1 57 57 ALA HB3 H 1 1.270 0.000 . 1 . . . A 57 ALA HB3 . 19549 1 672 . 1 1 57 57 ALA CA C 13 50.560 0.000 . 1 . . . A 57 ALA CA . 19549 1 673 . 1 1 57 57 ALA CB C 13 18.502 0.000 . 1 . . . A 57 ALA CB . 19549 1 674 . 1 1 57 57 ALA N N 15 127.054 0.000 . 1 . . . A 57 ALA N . 19549 1 675 . 1 1 58 58 PRO HA H 1 4.269 0.000 . 1 . . . A 58 PRO HA . 19549 1 676 . 1 1 58 58 PRO HB2 H 1 2.186 0.000 . 2 . . . A 58 PRO HB2 . 19549 1 677 . 1 1 58 58 PRO HB3 H 1 1.847 0.000 . 2 . . . A 58 PRO HB3 . 19549 1 678 . 1 1 58 58 PRO HG2 H 1 1.923 0.000 . 2 . . . A 58 PRO HG2 . 19549 1 679 . 1 1 58 58 PRO HG3 H 1 1.923 0.000 . 2 . . . A 58 PRO HG3 . 19549 1 680 . 1 1 58 58 PRO HD2 H 1 3.650 0.000 . 2 . . . A 58 PRO HD2 . 19549 1 681 . 1 1 58 58 PRO HD3 H 1 3.566 0.000 . 2 . . . A 58 PRO HD3 . 19549 1 682 . 1 1 58 58 PRO CA C 13 63.723 0.000 . 1 . . . A 58 PRO CA . 19549 1 683 . 1 1 58 58 PRO CB C 13 31.907 0.004 . 1 . . . A 58 PRO CB . 19549 1 684 . 1 1 58 58 PRO CG C 13 27.272 0.000 . 1 . . . A 58 PRO CG . 19549 1 685 . 1 1 58 58 PRO CD C 13 50.398 0.002 . 1 . . . A 58 PRO CD . 19549 1 686 . 1 1 59 59 ASP H H 1 8.203 0.000 . 1 . . . A 59 ASP H . 19549 1 687 . 1 1 59 59 ASP HA H 1 4.466 0.000 . 1 . . . A 59 ASP HA . 19549 1 688 . 1 1 59 59 ASP HB2 H 1 2.598 0.000 . 2 . . . A 59 ASP HB2 . 19549 1 689 . 1 1 59 59 ASP HB3 H 1 2.598 0.000 . 2 . . . A 59 ASP HB3 . 19549 1 690 . 1 1 59 59 ASP CA C 13 54.135 0.000 . 1 . . . A 59 ASP CA . 19549 1 691 . 1 1 59 59 ASP CB C 13 40.959 0.000 . 1 . . . A 59 ASP CB . 19549 1 692 . 1 1 59 59 ASP N N 15 118.243 0.000 . 1 . . . A 59 ASP N . 19549 1 693 . 1 1 60 60 LYS H H 1 8.071 0.000 . 1 . . . . 60 LYS H . 19549 1 694 . 1 1 60 60 LYS HA H 1 4.241 0.000 . 1 . . . . 60 LYS HA . 19549 1 695 . 1 1 60 60 LYS HB2 H 1 1.786 0.000 . 2 . . . . 60 LYS HB2 . 19549 1 696 . 1 1 60 60 LYS HB3 H 1 1.671 0.000 . 2 . . . . 60 LYS HB3 . 19549 1 697 . 1 1 60 60 LYS HG2 H 1 1.339 0.000 . 2 . . . . 60 LYS HG2 . 19549 1 698 . 1 1 60 60 LYS HG3 H 1 1.289 0.000 . 2 . . . . 60 LYS HG3 . 19549 1 699 . 1 1 60 60 LYS HD2 H 1 1.568 0.000 . 2 . . . . 60 LYS QD . 19549 1 700 . 1 1 60 60 LYS HD3 H 1 1.568 0.000 . 2 . . . . 60 LYS QD . 19549 1 701 . 1 1 60 60 LYS HE2 H 1 2.896 0.000 . 2 . . . . 60 LYS QE . 19549 1 702 . 1 1 60 60 LYS HE3 H 1 2.896 0.000 . 2 . . . . 60 LYS QE . 19549 1 703 . 1 1 60 60 LYS CA C 13 56.099 0.000 . 1 . . . . 60 LYS CA . 19549 1 704 . 1 1 60 60 LYS CB C 13 32.623 0.017 . 1 . . . . 60 LYS CB . 19549 1 705 . 1 1 60 60 LYS CG C 13 24.650 0.018 . 1 . . . . 60 LYS CG . 19549 1 706 . 1 1 60 60 LYS CD C 13 28.854 0.000 . 1 . . . . 60 LYS CD . 19549 1 707 . 1 1 60 60 LYS CE C 13 42.230 0.000 . 1 . . . . 60 LYS CE . 19549 1 708 . 1 1 60 60 LYS N N 15 121.441 0.000 . 1 . . . . 60 LYS N . 19549 1 709 . 1 1 61 61 ARG H H 1 7.926 0.000 . 1 . . . . 61 ARG H . 19549 1 710 . 1 1 61 61 ARG HA H 1 4.052 0.000 . 1 . . . . 61 ARG HA . 19549 1 711 . 1 1 61 61 ARG HB2 H 1 1.676 0.000 . 2 . . . . 61 ARG HB2 . 19549 1 712 . 1 1 61 61 ARG HB3 H 1 1.652 0.000 . 2 . . . . 61 ARG HB3 . 19549 1 713 . 1 1 61 61 ARG HG2 H 1 1.476 0.000 . 2 . . . . 61 ARG HG2 . 19549 1 714 . 1 1 61 61 ARG HG3 H 1 1.404 0.000 . 2 . . . . 61 ARG HG3 . 19549 1 715 . 1 1 61 61 ARG HD2 H 1 2.996 0.000 . 2 . . . . 61 ARG QD . 19549 1 716 . 1 1 61 61 ARG HD3 H 1 2.996 0.000 . 2 . . . . 61 ARG QD . 19549 1 717 . 1 1 61 61 ARG CA C 13 56.519 0.000 . 1 . . . . 61 ARG CA . 19549 1 718 . 1 1 61 61 ARG CB C 13 30.568 0.022 . 1 . . . . 61 ARG CB . 19549 1 719 . 1 1 61 61 ARG CG C 13 27.020 0.011 . 1 . . . . 61 ARG CG . 19549 1 720 . 1 1 61 61 ARG CD C 13 43.290 0.000 . 1 . . . . 61 ARG CD . 19549 1 721 . 1 1 61 61 ARG N N 15 121.098 0.000 . 1 . . . . 61 ARG N . 19549 1 722 . 1 1 62 62 GLU H H 1 8.371 0.000 . 1 . . . . 62 GLU H . 19549 1 723 . 1 1 62 62 GLU HA H 1 4.167 0.000 . 1 . . . . 62 GLU HA . 19549 1 724 . 1 1 62 62 GLU HB2 H 1 1.813 0.000 . 2 . . . . 62 GLU HB2 . 19549 1 725 . 1 1 62 62 GLU HB3 H 1 1.754 0.000 . 2 . . . . 62 GLU HB3 . 19549 1 726 . 1 1 62 62 GLU HG2 H 1 2.153 0.000 . 2 . . . . 62 GLU HG2 . 19549 1 727 . 1 1 62 62 GLU HG3 H 1 2.127 0.000 . 2 . . . . 62 GLU HG3 . 19549 1 728 . 1 1 62 62 GLU CA C 13 56.835 0.000 . 1 . . . . 62 GLU CA . 19549 1 729 . 1 1 62 62 GLU CB C 13 30.017 0.017 . 1 . . . . 62 GLU CB . 19549 1 730 . 1 1 62 62 GLU CG C 13 36.286 0.001 . 1 . . . . 62 GLU CG . 19549 1 731 . 1 1 62 62 GLU N N 15 121.228 0.000 . 1 . . . . 62 GLU N . 19549 1 732 . 1 1 63 63 THR H H 1 7.837 0.000 . 1 . . . . 63 THR H . 19549 1 733 . 1 1 63 63 THR HA H 1 4.159 0.000 . 1 . . . . 63 THR HA . 19549 1 734 . 1 1 63 63 THR HB H 1 4.124 0.000 . 1 . . . . 63 THR HB . 19549 1 735 . 1 1 63 63 THR HG21 H 1 1.051 0.000 . 1 . . . . 63 THR QG2 . 19549 1 736 . 1 1 63 63 THR HG22 H 1 1.051 0.000 . 1 . . . . 63 THR QG2 . 19549 1 737 . 1 1 63 63 THR HG23 H 1 1.051 0.000 . 1 . . . . 63 THR QG2 . 19549 1 738 . 1 1 63 63 THR CA C 13 62.064 0.000 . 1 . . . . 63 THR CA . 19549 1 739 . 1 1 63 63 THR CB C 13 69.578 0.000 . 1 . . . . 63 THR CB . 19549 1 740 . 1 1 63 63 THR CG2 C 13 21.640 0.000 . 1 . . . . 63 THR CG2 . 19549 1 741 . 1 1 63 63 THR N N 15 122.477 0.000 . 1 . . . . 63 THR N . 19549 1 742 . 1 1 65 65 HIS HA H 1 4.341 0.000 . 1 . . . . 65 HIS HA . 19549 1 743 . 1 1 65 65 HIS HB2 H 1 3.088 0.000 . 2 . . . . 65 HIS HB2 . 19549 1 744 . 1 1 65 65 HIS HB3 H 1 2.942 0.000 . 2 . . . . 65 HIS HB3 . 19549 1 745 . 1 1 65 65 HIS CA C 13 57.503 0.000 . 1 . . . . 65 HIS CA . 19549 1 746 . 1 1 65 65 HIS CB C 13 30.994 0.065 . 1 . . . . 65 HIS CB . 19549 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 19549 _Assigned_chem_shift_list.ID 2 _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 4 '2D 1H-1H NOESY' . . . 19549 2 8 '2D 1H-1H TOCSY' . . . 19549 2 9 '2D 1H-15N HSQC' . . . 19549 2 10 '2D 1H-13C HSQC' . . . 19549 2 11 '3D 1H-13C NOESY' . . . 19549 2 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 . 2 2 1 1 U H1' H 1 5.879 0.004 . 1 . . . B 36 U H1' . 19549 2 2 . 2 2 1 1 U H2' H 1 4.482 0.001 . 1 . . . B 36 U H2' . 19549 2 3 . 2 2 1 1 U H3' H 1 4.607 0.003 . 1 . . . B 36 U H3' . 19549 2 4 . 2 2 1 1 U H4' H 1 4.387 0.001 . 1 . . . B 36 U H4' . 19549 2 5 . 2 2 1 1 U H5 H 1 5.844 0.001 . 1 . . . B 36 U H5 . 19549 2 6 . 2 2 1 1 U H5' H 1 4.020 0.007 . 2 . . . B 36 U H5' . 19549 2 7 . 2 2 1 1 U H5'' H 1 3.945 0.002 . 2 . . . B 36 U H5'' . 19549 2 8 . 2 2 1 1 U H6 H 1 8.007 0.002 . 1 . . . B 36 U H6 . 19549 2 9 . 2 2 1 1 U C1' C 13 90.855 0.052 . 1 . . . B 36 U C1' . 19549 2 10 . 2 2 1 1 U C2' C 13 75.691 0.014 . 1 . . . B 36 U C2' . 19549 2 11 . 2 2 1 1 U C3' C 13 77.109 0.008 . 1 . . . B 36 U C3' . 19549 2 12 . 2 2 1 1 U C4' C 13 86.127 0.009 . 1 . . . B 36 U C4' . 19549 2 13 . 2 2 1 1 U C5 C 13 105.273 0.062 . 1 . . . B 36 U C5 . 19549 2 14 . 2 2 1 1 U C5' C 13 66.039 0.064 . 1 . . . B 36 U C5' . 19549 2 15 . 2 2 1 1 U C6 C 13 144.420 0.000 . 1 . . . B 36 U C6 . 19549 2 16 . 2 2 2 2 C H1' H 1 5.978 0.003 . 1 . . . B 37 C H1' . 19549 2 17 . 2 2 2 2 C H2' H 1 4.396 0.001 . 1 . . . B 37 C H2' . 19549 2 18 . 2 2 2 2 C H3' H 1 4.668 0.004 . 1 . . . B 37 C H3' . 19549 2 19 . 2 2 2 2 C H4' H 1 4.449 0.006 . 1 . . . B 37 C H4' . 19549 2 20 . 2 2 2 2 C H5 H 1 6.071 0.006 . 1 . . . B 37 C H5 . 19549 2 21 . 2 2 2 2 C H5' H 1 4.291 0.001 . 2 . . . B 37 C H5' . 19549 2 22 . 2 2 2 2 C H5'' H 1 4.164 0.002 . 2 . . . B 37 C H5'' . 19549 2 23 . 2 2 2 2 C H6 H 1 7.922 0.003 . 1 . . . B 37 C H6 . 19549 2 24 . 2 2 2 2 C C1' C 13 92.172 0.052 . 1 . . . B 37 C C1' . 19549 2 25 . 2 2 2 2 C C2' C 13 76.011 0.033 . 1 . . . B 37 C C2' . 19549 2 26 . 2 2 2 2 C C3' C 13 76.035 0.035 . 1 . . . B 37 C C3' . 19549 2 27 . 2 2 2 2 C C4' C 13 84.273 0.007 . 1 . . . B 37 C C4' . 19549 2 28 . 2 2 2 2 C C5 C 13 99.078 0.035 . 1 . . . B 37 C C5 . 19549 2 29 . 2 2 2 2 C C5' C 13 67.054 0.022 . 1 . . . B 37 C C5' . 19549 2 30 . 2 2 2 2 C C6 C 13 143.400 0.004 . 1 . . . B 37 C C6 . 19549 2 31 . 2 2 3 3 A H1' H 1 6.036 0.006 . 1 . . . B 38 A H1' . 19549 2 32 . 2 2 3 3 A H2 H 1 8.526 0.003 . 1 . . . B 38 A H2 . 19549 2 33 . 2 2 3 3 A H2' H 1 4.644 0.002 . 1 . . . B 38 A H2' . 19549 2 34 . 2 2 3 3 A H3' H 1 4.812 0.001 . 1 . . . B 38 A H3' . 19549 2 35 . 2 2 3 3 A H4' H 1 4.491 0.002 . 1 . . . B 38 A H4' . 19549 2 36 . 2 2 3 3 A H5'' H 1 4.162 0.025 . 2 . . . B 38 A H5'' . 19549 2 37 . 2 2 3 3 A H8 H 1 8.448 0.004 . 1 . . . B 38 A H8 . 19549 2 38 . 2 2 3 3 A C1' C 13 88.647 0.029 . 1 . . . B 38 A C1' . 19549 2 39 . 2 2 3 3 A C2 C 13 156.187 0.021 . 1 . . . B 38 A C2 . 19549 2 40 . 2 2 3 3 A C2' C 13 77.752 0.017 . 1 . . . B 38 A C2' . 19549 2 41 . 2 2 3 3 A C3' C 13 77.806 0.044 . 1 . . . B 38 A C3' . 19549 2 42 . 2 2 3 3 A C4' C 13 86.198 0.026 . 1 . . . B 38 A C4' . 19549 2 43 . 2 2 3 3 A C5' C 13 68.374 0.090 . 1 . . . B 38 A C5' . 19549 2 44 . 2 2 3 3 A C8 C 13 142.092 0.006 . 1 . . . B 38 A C8 . 19549 2 45 . 2 2 4 4 G H1' H 1 5.520 0.007 . 1 . . . B 39 G H1' . 19549 2 46 . 2 2 4 4 G H2' H 1 4.354 0.003 . 1 . . . B 39 G H2' . 19549 2 47 . 2 2 4 4 G H3' H 1 4.746 0.003 . 1 . . . B 39 G H3' . 19549 2 48 . 2 2 4 4 G H4' H 1 4.210 0.005 . 1 . . . B 39 G H4' . 19549 2 49 . 2 2 4 4 G H5' H 1 4.387 0.004 . 2 . . . B 39 G H5' . 19549 2 50 . 2 2 4 4 G H5'' H 1 4.158 0.002 . 2 . . . B 39 G H5'' . 19549 2 51 . 2 2 4 4 G H8 H 1 8.163 0.004 . 1 . . . B 39 G H8 . 19549 2 52 . 2 2 4 4 G C1' C 13 92.764 0.050 . 1 . . . B 39 G C1' . 19549 2 53 . 2 2 4 4 G C2' C 13 78.010 0.063 . 1 . . . B 39 G C2' . 19549 2 54 . 2 2 4 4 G C3' C 13 77.840 0.024 . 1 . . . B 39 G C3' . 19549 2 55 . 2 2 4 4 G C4' C 13 88.396 0.008 . 1 . . . B 39 G C4' . 19549 2 56 . 2 2 4 4 G C5' C 13 68.503 0.074 . 1 . . . B 39 G C5' . 19549 2 57 . 2 2 4 4 G C8 C 13 139.807 0.007 . 1 . . . B 39 G C8 . 19549 2 58 . 2 2 5 5 G H1 H 1 11.446 0.010 . 1 . . . B 40 G H1 . 19549 2 59 . 2 2 5 5 G H1' H 1 5.783 0.009 . 1 . . . B 40 G H1' . 19549 2 60 . 2 2 5 5 G H2' H 1 4.538 0.003 . 1 . . . B 40 G H2' . 19549 2 61 . 2 2 5 5 G H3' H 1 4.566 0.001 . 1 . . . B 40 G H3' . 19549 2 62 . 2 2 5 5 G H4' H 1 4.359 0.006 . 1 . . . B 40 G H4' . 19549 2 63 . 2 2 5 5 G H5' H 1 3.495 0.009 . 2 . . . B 40 G H5' . 19549 2 64 . 2 2 5 5 G H8 H 1 8.471 0.007 . 1 . . . B 40 G H8 . 19549 2 65 . 2 2 5 5 G C1' C 13 88.509 0.035 . 1 . . . B 40 G C1' . 19549 2 66 . 2 2 5 5 G C2' C 13 79.012 0.061 . 1 . . . B 40 G C2' . 19549 2 67 . 2 2 5 5 G C3' C 13 78.977 0.000 . 1 . . . B 40 G C3' . 19549 2 68 . 2 2 5 5 G C4' C 13 87.264 0.048 . 1 . . . B 40 G C4' . 19549 2 69 . 2 2 5 5 G C5' C 13 67.526 0.066 . 1 . . . B 40 G C5' . 19549 2 70 . 2 2 5 5 G C8 C 13 140.861 0.008 . 1 . . . B 40 G C8 . 19549 2 71 . 2 2 5 5 G N1 N 15 146.247 0.000 . 1 . . . B 40 G N1 . 19549 2 72 . 2 2 6 6 A H1' H 1 6.343 0.005 . 1 . . . B 41 A H1' . 19549 2 73 . 2 2 6 6 A H2 H 1 8.424 0.007 . 1 . . . B 41 A H2 . 19549 2 74 . 2 2 6 6 A H2' H 1 4.369 0.001 . 1 . . . B 41 A H2' . 19549 2 75 . 2 2 6 6 A H3' H 1 5.064 0.004 . 1 . . . B 41 A H3' . 19549 2 76 . 2 2 6 6 A H4' H 1 4.476 0.002 . 1 . . . B 41 A H4' . 19549 2 77 . 2 2 6 6 A H5' H 1 4.374 0.004 . 2 . . . B 41 A H5' . 19549 2 78 . 2 2 6 6 A H5'' H 1 4.260 0.005 . 2 . . . B 41 A H5'' . 19549 2 79 . 2 2 6 6 A H8 H 1 9.163 0.007 . 1 . . . B 41 A H8 . 19549 2 80 . 2 2 6 6 A C1' C 13 90.562 0.066 . 1 . . . B 41 A C1' . 19549 2 81 . 2 2 6 6 A C2 C 13 156.548 0.005 . 1 . . . B 41 A C2 . 19549 2 82 . 2 2 6 6 A C2' C 13 77.865 0.017 . 1 . . . B 41 A C2' . 19549 2 83 . 2 2 6 6 A C3' C 13 75.165 0.008 . 1 . . . B 41 A C3' . 19549 2 84 . 2 2 6 6 A C4' C 13 82.475 0.051 . 1 . . . B 41 A C4' . 19549 2 85 . 2 2 6 6 A C5' C 13 68.429 0.052 . 1 . . . B 41 A C5' . 19549 2 86 . 2 2 6 6 A C8 C 13 142.471 0.027 . 1 . . . B 41 A C8 . 19549 2 87 . 2 2 7 7 C H1' H 1 5.539 0.009 . 1 . . . B 42 C H1' . 19549 2 88 . 2 2 7 7 C H2' H 1 4.086 0.007 . 1 . . . B 42 C H2' . 19549 2 89 . 2 2 7 7 C H3' H 1 4.204 0.005 . 1 . . . B 42 C H3' . 19549 2 90 . 2 2 7 7 C H4' H 1 4.089 0.006 . 1 . . . B 42 C H4' . 19549 2 91 . 2 2 7 7 C H5 H 1 5.810 0.004 . 1 . . . B 42 C H5 . 19549 2 92 . 2 2 7 7 C H5' H 1 4.237 0.002 . 2 . . . B 42 C H5' . 19549 2 93 . 2 2 7 7 C H5'' H 1 3.970 0.004 . 2 . . . B 42 C H5'' . 19549 2 94 . 2 2 7 7 C H6 H 1 7.524 0.004 . 1 . . . B 42 C H6 . 19549 2 95 . 2 2 7 7 C C1' C 13 92.778 0.018 . 1 . . . B 42 C C1' . 19549 2 96 . 2 2 7 7 C C2' C 13 75.879 0.043 . 1 . . . B 42 C C2' . 19549 2 97 . 2 2 7 7 C C3' C 13 75.563 0.033 . 1 . . . B 42 C C3' . 19549 2 98 . 2 2 7 7 C C4' C 13 83.914 0.045 . 1 . . . B 42 C C4' . 19549 2 99 . 2 2 7 7 C C5 C 13 98.593 0.025 . 1 . . . B 42 C C5 . 19549 2 100 . 2 2 7 7 C C5' C 13 68.565 0.047 . 1 . . . B 42 C C5' . 19549 2 101 . 2 2 7 7 C C6 C 13 143.075 0.027 . 1 . . . B 42 C C6 . 19549 2 102 . 2 2 8 8 A H1' H 1 5.737 0.004 . 1 . . . B 43 A H1' . 19549 2 103 . 2 2 8 8 A H2 H 1 8.122 0.004 . 1 . . . B 43 A H2 . 19549 2 104 . 2 2 8 8 A H2' H 1 4.138 0.001 . 1 . . . B 43 A H2' . 19549 2 105 . 2 2 8 8 A H3' H 1 4.189 0.002 . 1 . . . B 43 A H3' . 19549 2 106 . 2 2 8 8 A H4' H 1 4.172 0.004 . 1 . . . B 43 A H4' . 19549 2 107 . 2 2 8 8 A H5' H 1 4.153 0.004 . 2 . . . B 43 A H5' . 19549 2 108 . 2 2 8 8 A H5'' H 1 4.039 0.001 . 2 . . . B 43 A H5'' . 19549 2 109 . 2 2 8 8 A H8 H 1 8.247 0.005 . 1 . . . B 43 A H8 . 19549 2 110 . 2 2 8 8 A C1' C 13 91.597 0.013 . 1 . . . B 43 A C1' . 19549 2 111 . 2 2 8 8 A C2 C 13 155.523 0.031 . 1 . . . B 43 A C2 . 19549 2 112 . 2 2 8 8 A C2' C 13 76.674 0.027 . 1 . . . B 43 A C2' . 19549 2 113 . 2 2 8 8 A C3' C 13 71.742 0.016 . 1 . . . B 43 A C3' . 19549 2 114 . 2 2 8 8 A C4' C 13 85.336 0.017 . 1 . . . B 43 A C4' . 19549 2 115 . 2 2 8 8 A C5' C 13 66.612 0.089 . 1 . . . B 43 A C5' . 19549 2 116 . 2 2 8 8 A C8 C 13 141.331 0.018 . 1 . . . B 43 A C8 . 19549 2 117 . 2 2 9 9 U H1' H 1 5.904 0.005 . 1 . . . B 44 U H1' . 19549 2 118 . 2 2 9 9 U H2' H 1 4.616 0.006 . 1 . . . B 44 U H2' . 19549 2 119 . 2 2 9 9 U H3' H 1 4.546 0.002 . 1 . . . B 44 U H3' . 19549 2 120 . 2 2 9 9 U H4' H 1 4.314 0.001 . 1 . . . B 44 U H4' . 19549 2 121 . 2 2 9 9 U H5 H 1 5.523 0.004 . 1 . . . B 44 U H5 . 19549 2 122 . 2 2 9 9 U H5' H 1 4.206 0.002 . 2 . . . B 44 U H5' . 19549 2 123 . 2 2 9 9 U H5'' H 1 4.040 0.003 . 2 . . . B 44 U H5'' . 19549 2 124 . 2 2 9 9 U H6 H 1 7.634 0.003 . 1 . . . B 44 U H6 . 19549 2 125 . 2 2 9 9 U C1' C 13 90.882 0.012 . 1 . . . B 44 U C1' . 19549 2 126 . 2 2 9 9 U C2' C 13 75.298 0.016 . 1 . . . B 44 U C2' . 19549 2 127 . 2 2 9 9 U C3' C 13 76.254 0.029 . 1 . . . B 44 U C3' . 19549 2 128 . 2 2 9 9 U C4' C 13 84.105 0.014 . 1 . . . B 44 U C4' . 19549 2 129 . 2 2 9 9 U C5 C 13 104.621 0.022 . 1 . . . B 44 U C5 . 19549 2 130 . 2 2 9 9 U C5' C 13 66.903 0.031 . 1 . . . B 44 U C5' . 19549 2 131 . 2 2 9 9 U C6 C 13 143.287 0.011 . 1 . . . B 44 U C6 . 19549 2 stop_ save_