################################### # 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 15087 _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 NOESY' . . . 15087 1 2 '2D TOCSY' . . . 15087 1 4 3D_15N-separated_NOESY . . . 15087 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 2 2 PRO HA H 1 4.480 0.000 . . . . . . 2 PRO HA . 15087 1 2 . 1 1 2 2 PRO HB2 H 1 2.417 0.000 . . . . . . 2 PRO HB2 . 15087 1 3 . 1 1 2 2 PRO HG2 H 1 2.045 0.000 . . . . . . 2 PRO HG2 . 15087 1 4 . 1 1 3 3 LEU H H 1 8.460 0.007 . . . . . . 3 LEU HN . 15087 1 5 . 1 1 3 3 LEU HA H 1 4.384 0.000 . . . . . . 3 LEU HA . 15087 1 6 . 1 1 3 3 LEU HB2 H 1 1.730 0.000 . . . . . . 3 LEU HB2 . 15087 1 7 . 1 1 3 3 LEU HB3 H 1 1.660 0.000 . . . . . . 3 LEU HB3 . 15087 1 8 . 1 1 3 3 LEU HG H 1 0.939 0.000 . . . . . . 3 LEU HG . 15087 1 9 . 1 1 3 3 LEU N N 15 121.667 0.048 . . . . . . 3 LEU N . 15087 1 10 . 1 1 4 4 GLY H H 1 8.372 0.004 . . . . . . 4 GLY HN . 15087 1 11 . 1 1 4 4 GLY HA2 H 1 3.976 0.000 . . . . . . 4 GLY HA1 . 15087 1 12 . 1 1 4 4 GLY N N 15 109.498 0.000 . . . . . . 4 GLY N . 15087 1 13 . 1 1 5 5 SER H H 1 8.117 0.009 . . . . . . 5 SER HN . 15087 1 14 . 1 1 5 5 SER HA H 1 4.764 0.000 . . . . . . 5 SER HA . 15087 1 15 . 1 1 5 5 SER HB2 H 1 3.958 0.000 . . . . . . 5 SER HB2 . 15087 1 16 . 1 1 5 5 SER N N 15 116.341 0.009 . . . . . . 5 SER N . 15087 1 17 . 1 1 6 6 PRO HA H 1 4.540 0.000 . . . . . . 6 PRO HA . 15087 1 18 . 1 1 6 6 PRO HB2 H 1 2.440 0.000 . . . . . . 6 PRO HB2 . 15087 1 19 . 1 1 6 6 PRO HG2 H 1 2.059 0.000 . . . . . . 6 PRO HG2 . 15087 1 20 . 1 1 6 6 PRO HD2 H 1 3.707 0.000 . . . . . . 6 PRO HD2 . 15087 1 21 . 1 1 7 7 ILE H H 1 8.156 0.010 . . . . . . 7 ILE HN . 15087 1 22 . 1 1 7 7 ILE HA H 1 4.146 0.000 . . . . . . 7 ILE HA . 15087 1 23 . 1 1 7 7 ILE HB H 1 2.022 0.000 . . . . . . 7 ILE HB . 15087 1 24 . 1 1 7 7 ILE HG12 H 1 1.460 0.000 . . . . . . 7 ILE HG12 . 15087 1 25 . 1 1 7 7 ILE HG13 H 1 1.366 0.000 . . . . . . 7 ILE HG13 . 15087 1 26 . 1 1 7 7 ILE HG21 H 1 0.960 0.000 . . . . . . 7 ILE HG21 . 15087 1 27 . 1 1 7 7 ILE HG22 H 1 0.960 0.000 . . . . . . 7 ILE HG21 . 15087 1 28 . 1 1 7 7 ILE HG23 H 1 0.960 0.000 . . . . . . 7 ILE HG21 . 15087 1 29 . 1 1 7 7 ILE N N 15 118.992 0.030 . . . . . . 7 ILE N . 15087 1 30 . 1 1 8 8 GLY H H 1 8.243 0.015 . . . . . . 8 GLY HN . 15087 1 31 . 1 1 8 8 GLY HA2 H 1 3.930 0.000 . . . . . . 8 GLY HA1 . 15087 1 32 . 1 1 8 8 GLY N N 15 110.623 0.000 . . . . . . 8 GLY N . 15087 1 33 . 1 1 9 9 ALA H H 1 8.005 0.002 . . . . . . 9 ALA HN . 15087 1 34 . 1 1 9 9 ALA HA H 1 4.250 0.000 . . . . . . 9 ALA HA . 15087 1 35 . 1 1 9 9 ALA HB1 H 1 1.480 0.000 . . . . . . 9 ALA HB1 . 15087 1 36 . 1 1 9 9 ALA HB2 H 1 1.480 0.000 . . . . . . 9 ALA HB1 . 15087 1 37 . 1 1 9 9 ALA HB3 H 1 1.480 0.000 . . . . . . 9 ALA HB1 . 15087 1 38 . 1 1 9 9 ALA N N 15 123.420 0.034 . . . . . . 9 ALA N . 15087 1 39 . 1 1 10 10 LEU H H 1 7.873 0.003 . . . . . . 10 LEU HN . 15087 1 40 . 1 1 10 10 LEU HA H 1 4.199 0.000 . . . . . . 10 LEU HA . 15087 1 41 . 1 1 10 10 LEU HB2 H 1 1.765 0.000 . . . . . . 10 LEU HB2 . 15087 1 42 . 1 1 10 10 LEU HB3 H 1 1.503 0.000 . . . . . . 10 LEU HB3 . 15087 1 43 . 1 1 10 10 LEU HD11 H 1 0.857 0.000 . . . . . . 10 LEU HD11 . 15087 1 44 . 1 1 10 10 LEU HD12 H 1 0.857 0.000 . . . . . . 10 LEU HD11 . 15087 1 45 . 1 1 10 10 LEU HD13 H 1 0.857 0.000 . . . . . . 10 LEU HD11 . 15087 1 46 . 1 1 10 10 LEU N N 15 121.172 0.040 . . . . . . 10 LEU N . 15087 1 47 . 1 1 11 11 ALA H H 1 8.482 0.003 . . . . . . 11 ALA HN . 15087 1 48 . 1 1 11 11 ALA HA H 1 3.954 0.000 . . . . . . 11 ALA HA . 15087 1 49 . 1 1 11 11 ALA HB1 H 1 1.492 0.000 . . . . . . 11 ALA HB1 . 15087 1 50 . 1 1 11 11 ALA HB2 H 1 1.492 0.000 . . . . . . 11 ALA HB1 . 15087 1 51 . 1 1 11 11 ALA HB3 H 1 1.492 0.000 . . . . . . 11 ALA HB1 . 15087 1 52 . 1 1 11 11 ALA N N 15 120.071 0.029 . . . . . . 11 ALA N . 15087 1 53 . 1 1 12 12 SER H H 1 7.883 0.006 . . . . . . 12 SER HN . 15087 1 54 . 1 1 12 12 SER HA H 1 4.250 0.000 . . . . . . 12 SER HA . 15087 1 55 . 1 1 12 12 SER HB2 H 1 3.937 0.000 . . . . . . 12 SER HB2 . 15087 1 56 . 1 1 12 12 SER N N 15 112.843 0.026 . . . . . . 12 SER N . 15087 1 57 . 1 1 13 13 ALA H H 1 7.779 0.010 . . . . . . 13 ALA HN . 15087 1 58 . 1 1 13 13 ALA HA H 1 4.219 0.000 . . . . . . 13 ALA HA . 15087 1 59 . 1 1 13 13 ALA HB1 H 1 1.512 0.000 . . . . . . 13 ALA HB1 . 15087 1 60 . 1 1 13 13 ALA HB2 H 1 1.512 0.000 . . . . . . 13 ALA HB1 . 15087 1 61 . 1 1 13 13 ALA HB3 H 1 1.512 0.000 . . . . . . 13 ALA HB1 . 15087 1 62 . 1 1 13 13 ALA N N 15 123.837 0.001 . . . . . . 13 ALA N . 15087 1 63 . 1 1 14 14 LEU H H 1 8.449 0.003 . . . . . . 14 LEU HN . 15087 1 64 . 1 1 14 14 LEU HA H 1 3.958 0.000 . . . . . . 14 LEU HA . 15087 1 65 . 1 1 14 14 LEU HB2 H 1 1.928 0.000 . . . . . . 14 LEU HB2 . 15087 1 66 . 1 1 14 14 LEU HG H 1 1.522 0.000 . . . . . . 14 LEU HG . 15087 1 67 . 1 1 14 14 LEU HD11 H 1 0.887 0.000 . . . . . . 14 LEU HD11 . 15087 1 68 . 1 1 14 14 LEU HD12 H 1 0.887 0.000 . . . . . . 14 LEU HD11 . 15087 1 69 . 1 1 14 14 LEU HD13 H 1 0.887 0.000 . . . . . . 14 LEU HD11 . 15087 1 70 . 1 1 14 14 LEU N N 15 118.717 0.000 . . . . . . 14 LEU N . 15087 1 71 . 1 1 15 15 ALA H H 1 7.350 0.003 . . . . . . 15 ALA HN . 15087 1 72 . 1 1 15 15 ALA HA H 1 4.146 0.000 . . . . . . 15 ALA HA . 15087 1 73 . 1 1 15 15 ALA HB1 H 1 1.512 0.000 . . . . . . 15 ALA HB2 . 15087 1 74 . 1 1 15 15 ALA HB2 H 1 1.512 0.000 . . . . . . 15 ALA HB2 . 15087 1 75 . 1 1 15 15 ALA HB3 H 1 1.512 0.000 . . . . . . 15 ALA HB2 . 15087 1 76 . 1 1 15 15 ALA N N 15 118.554 0.004 . . . . . . 15 ALA N . 15087 1 77 . 1 1 16 16 ASN H H 1 7.606 0.013 . . . . . . 16 ASN HN . 15087 1 78 . 1 1 16 16 ASN HA H 1 4.781 0.000 . . . . . . 16 ASN HA . 15087 1 79 . 1 1 16 16 ASN HB2 H 1 3.021 0.000 . . . . . . 16 ASN HB2 . 15087 1 80 . 1 1 16 16 ASN HB3 H 1 2.719 0.000 . . . . . . 16 ASN HB3 . 15087 1 81 . 1 1 16 16 ASN N N 15 113.942 0.028 . . . . . . 16 ASN N . 15087 1 82 . 1 1 17 17 SER H H 1 7.572 0.005 . . . . . . 17 SER HN . 15087 1 83 . 1 1 17 17 SER HA H 1 4.864 0.000 . . . . . . 17 SER HA . 15087 1 84 . 1 1 17 17 SER HB2 H 1 3.802 0.000 . . . . . . 17 SER HB2 . 15087 1 85 . 1 1 17 17 SER N N 15 116.214 0.042 . . . . . . 17 SER N . 15087 1 86 . 1 1 19 19 PRO HA H 1 4.300 0.000 . . . . . . 19 PRO HA . 15087 1 87 . 1 1 19 19 PRO HB2 H 1 2.460 0.000 . . . . . . 19 PRO HB2 . 15087 1 88 . 1 1 19 19 PRO HG2 H 1 2.037 0.000 . . . . . . 19 PRO HG2 . 15087 1 89 . 1 1 20 20 GLU H H 1 9.629 0.012 . . . . . . 20 GLU HN . 15087 1 90 . 1 1 20 20 GLU HA H 1 4.183 0.000 . . . . . . 20 GLU HA . 15087 1 91 . 1 1 20 20 GLU HB2 H 1 2.113 0.000 . . . . . . 20 GLU HB2 . 15087 1 92 . 1 1 20 20 GLU HG2 H 1 2.427 0.000 . . . . . . 20 GLU HG2 . 15087 1 93 . 1 1 20 20 GLU N N 15 117.368 0.000 . . . . . . 20 GLU N . 15087 1 94 . 1 1 21 21 THR H H 1 7.345 0.006 . . . . . . 21 THR HN . 15087 1 95 . 1 1 21 21 THR HA H 1 4.199 0.000 . . . . . . 21 THR HA . 15087 1 96 . 1 1 21 21 THR HB H 1 4.776 0.000 . . . . . . 21 THR HB . 15087 1 97 . 1 1 21 21 THR HG21 H 1 1.377 0.000 . . . . . . 21 THR HG21 . 15087 1 98 . 1 1 21 21 THR HG22 H 1 1.377 0.000 . . . . . . 21 THR HG21 . 15087 1 99 . 1 1 21 21 THR HG23 H 1 1.377 0.000 . . . . . . 21 THR HG21 . 15087 1 100 . 1 1 21 21 THR N N 15 116.987 0.040 . . . . . . 21 THR N . 15087 1 101 . 1 1 22 22 GLN H H 1 8.211 0.000 . . . . . . 22 GLN HN . 15087 1 102 . 1 1 22 22 GLN HA H 1 3.885 0.000 . . . . . . 22 GLN HA . 15087 1 103 . 1 1 22 22 GLN HB2 H 1 2.539 0.000 . . . . . . 22 GLN HB2 . 15087 1 104 . 1 1 22 22 GLN HB3 H 1 2.316 0.000 . . . . . . 22 GLN HB3 . 15087 1 105 . 1 1 22 22 GLN N N 15 121.178 0.023 . . . . . . 22 GLN N . 15087 1 106 . 1 1 23 23 ARG H H 1 7.883 0.005 . . . . . . 23 ARG HN . 15087 1 107 . 1 1 23 23 ARG HA H 1 3.969 0.000 . . . . . . 23 ARG HA . 15087 1 108 . 1 1 23 23 ARG HB2 H 1 1.966 0.000 . . . . . . 23 ARG HB2 . 15087 1 109 . 1 1 23 23 ARG HG2 H 1 1.824 0.000 . . . . . . 23 ARG HG2 . 15087 1 110 . 1 1 23 23 ARG HD2 H 1 3.240 0.000 . . . . . . 23 ARG HD2 . 15087 1 111 . 1 1 23 23 ARG N N 15 116.767 0.044 . . . . . . 23 ARG N . 15087 1 112 . 1 1 24 24 MET H H 1 7.504 0.003 . . . . . . 24 MET HN . 15087 1 113 . 1 1 24 24 MET HA H 1 4.198 0.000 . . . . . . 24 MET HA . 15087 1 114 . 1 1 24 24 MET HB2 H 1 2.730 0.000 . . . . . . 24 MET HB2 . 15087 1 115 . 1 1 24 24 MET HB3 H 1 2.282 0.000 . . . . . . 24 MET HB3 . 15087 1 116 . 1 1 24 24 MET HG2 H 1 2.594 0.000 . . . . . . 24 MET HG2 . 15087 1 117 . 1 1 24 24 MET N N 15 118.532 0.038 . . . . . . 24 MET N . 15087 1 118 . 1 1 25 25 MET H H 1 8.369 0.004 . . . . . . 25 MET HN . 15087 1 119 . 1 1 25 25 MET HA H 1 4.187 0.000 . . . . . . 25 MET HA . 15087 1 120 . 1 1 25 25 MET HB2 H 1 2.251 0.000 . . . . . . 25 MET HB2 . 15087 1 121 . 1 1 25 25 MET HG2 H 1 2.730 0.000 . . . . . . 25 MET HG2 . 15087 1 122 . 1 1 25 25 MET N N 15 119.181 0.018 . . . . . . 25 MET N . 15087 1 123 . 1 1 26 26 LEU H H 1 8.473 0.010 . . . . . . 26 LEU HN . 15087 1 124 . 1 1 26 26 LEU HA H 1 3.966 0.000 . . . . . . 26 LEU HA . 15087 1 125 . 1 1 26 26 LEU HB2 H 1 1.504 0.000 . . . . . . 26 LEU HB2 . 15087 1 126 . 1 1 26 26 LEU HD11 H 1 0.953 0.000 . . . . . . 26 LEU HD11 . 15087 1 127 . 1 1 26 26 LEU HD12 H 1 0.953 0.000 . . . . . . 26 LEU HD11 . 15087 1 128 . 1 1 26 26 LEU HD13 H 1 0.953 0.000 . . . . . . 26 LEU HD11 . 15087 1 129 . 1 1 26 26 LEU N N 15 119.841 0.000 . . . . . . 26 LEU N . 15087 1 130 . 1 1 27 27 GLY H H 1 8.569 0.009 . . . . . . 27 GLY HN . 15087 1 131 . 1 1 27 27 GLY HA2 H 1 4.020 0.000 . . . . . . 27 GLY HA1 . 15087 1 132 . 1 1 27 27 GLY HA3 H 1 3.664 0.000 . . . . . . 27 GLY HA2 . 15087 1 133 . 1 1 27 27 GLY N N 15 107.539 0.000 . . . . . . 27 GLY N . 15087 1 134 . 1 1 28 28 GLU H H 1 8.151 0.001 . . . . . . 28 GLU HN . 15087 1 135 . 1 1 28 28 GLU HA H 1 4.146 0.000 . . . . . . 28 GLU HA . 15087 1 136 . 1 1 28 28 GLU HB2 H 1 2.208 0.000 . . . . . . 28 GLU HB2 . 15087 1 137 . 1 1 28 28 GLU HB3 H 1 2.084 0.000 . . . . . . 28 GLU HB3 . 15087 1 138 . 1 1 28 28 GLU HG2 H 1 2.428 0.000 . . . . . . 28 GLU HG2 . 15087 1 139 . 1 1 28 28 GLU N N 15 119.653 0.024 . . . . . . 28 GLU N . 15087 1 140 . 1 1 29 29 ASN H H 1 7.331 0.006 . . . . . . 29 ASN HN . 15087 1 141 . 1 1 29 29 ASN HA H 1 4.645 0.000 . . . . . . 29 ASN HA . 15087 1 142 . 1 1 29 29 ASN HB2 H 1 2.646 0.000 . . . . . . 29 ASN HB2 . 15087 1 143 . 1 1 29 29 ASN N N 15 114.857 0.052 . . . . . . 29 ASN N . 15087 1 144 . 1 1 30 30 LEU H H 1 8.485 0.011 . . . . . . 30 LEU HN . 15087 1 145 . 1 1 30 30 LEU HA H 1 4.184 0.000 . . . . . . 30 LEU HA . 15087 1 146 . 1 1 30 30 LEU HB2 H 1 1.504 0.000 . . . . . . 30 LEU HB2 . 15087 1 147 . 1 1 30 30 LEU HD11 H 1 0.860 0.000 . . . . . . 30 LEU HD11 . 15087 1 148 . 1 1 30 30 LEU HD12 H 1 0.860 0.000 . . . . . . 30 LEU HD11 . 15087 1 149 . 1 1 30 30 LEU HD13 H 1 0.860 0.000 . . . . . . 30 LEU HD11 . 15087 1 150 . 1 1 30 30 LEU N N 15 119.841 0.000 . . . . . . 30 LEU N . 15087 1 151 . 1 1 31 31 TYR H H 1 8.514 0.009 . . . . . . 31 TYR HN . 15087 1 152 . 1 1 31 31 TYR HA H 1 4.365 0.000 . . . . . . 31 TYR HA . 15087 1 153 . 1 1 31 31 TYR HB2 H 1 3.181 0.000 . . . . . . 31 TYR HB2 . 15087 1 154 . 1 1 31 31 TYR HB3 H 1 2.744 0.000 . . . . . . 31 TYR HB3 . 15087 1 155 . 1 1 31 31 TYR N N 15 118.267 0.000 . . . . . . 31 TYR N . 15087 1 156 . 1 1 33 33 LEU H H 1 6.827 0.007 . . . . . . 33 LEU HN . 15087 1 157 . 1 1 33 33 LEU HA H 1 4.125 0.000 . . . . . . 33 LEU HA . 15087 1 158 . 1 1 33 33 LEU HB2 H 1 1.919 0.000 . . . . . . 33 LEU HB2 . 15087 1 159 . 1 1 33 33 LEU HB3 H 1 1.493 0.000 . . . . . . 33 LEU HB3 . 15087 1 160 . 1 1 33 33 LEU HD11 H 1 0.869 0.000 . . . . . . 33 LEU HD11 . 15087 1 161 . 1 1 33 33 LEU HD12 H 1 0.869 0.000 . . . . . . 33 LEU HD11 . 15087 1 162 . 1 1 33 33 LEU HD13 H 1 0.869 0.000 . . . . . . 33 LEU HD11 . 15087 1 163 . 1 1 33 33 LEU N N 15 115.043 0.033 . . . . . . 33 LEU N . 15087 1 164 . 1 1 34 34 VAL H H 1 7.841 0.002 . . . . . . 34 VAL HN . 15087 1 165 . 1 1 34 34 VAL HA H 1 3.362 0.013 . . . . . . 34 VAL HA . 15087 1 166 . 1 1 34 34 VAL HB H 1 1.959 0.000 . . . . . . 34 VAL HB . 15087 1 167 . 1 1 34 34 VAL HG11 H 1 0.887 0.000 . . . . . . 34 VAL HG11 . 15087 1 168 . 1 1 34 34 VAL HG12 H 1 0.887 0.000 . . . . . . 34 VAL HG11 . 15087 1 169 . 1 1 34 34 VAL HG13 H 1 0.887 0.000 . . . . . . 34 VAL HG11 . 15087 1 170 . 1 1 34 34 VAL N N 15 120.319 0.038 . . . . . . 34 VAL N . 15087 1 171 . 1 1 35 35 ASP H H 1 8.693 0.016 . . . . . . 35 ASP HN . 15087 1 172 . 1 1 35 35 ASP HA H 1 4.219 0.000 . . . . . . 35 ASP HA . 15087 1 173 . 1 1 35 35 ASP HB2 H 1 2.365 0.000 . . . . . . 35 ASP HB2 . 15087 1 174 . 1 1 35 35 ASP N N 15 118.909 0.047 . . . . . . 35 ASP N . 15087 1 175 . 1 1 36 36 GLN H H 1 8.476 0.005 . . . . . . 36 GLN HN . 15087 1 176 . 1 1 36 36 GLN HA H 1 4.002 0.000 . . . . . . 36 GLN HA . 15087 1 177 . 1 1 36 36 GLN HB2 H 1 2.001 0.000 . . . . . . 36 GLN HB2 . 15087 1 178 . 1 1 36 36 GLN HG2 H 1 2.661 0.000 . . . . . . 36 GLN HG2 . 15087 1 179 . 1 1 36 36 GLN HG3 H 1 2.557 0.000 . . . . . . 36 GLN HG3 . 15087 1 180 . 1 1 36 36 GLN N N 15 119.636 0.040 . . . . . . 36 GLN N . 15087 1 181 . 1 1 37 37 LEU H H 1 7.301 0.004 . . . . . . 37 LEU HN . 15087 1 182 . 1 1 37 37 LEU HA H 1 4.354 0.000 . . . . . . 37 LEU HA . 15087 1 183 . 1 1 37 37 LEU HB2 H 1 1.954 0.000 . . . . . . 37 LEU HB2 . 15087 1 184 . 1 1 37 37 LEU HB3 H 1 1.595 0.000 . . . . . . 37 LEU HB3 . 15087 1 185 . 1 1 37 37 LEU HG H 1 1.839 0.000 . . . . . . 37 LEU HG . 15087 1 186 . 1 1 37 37 LEU HD11 H 1 0.939 0.000 . . . . . . 37 LEU HD11 . 15087 1 187 . 1 1 37 37 LEU HD12 H 1 0.939 0.000 . . . . . . 37 LEU HD11 . 15087 1 188 . 1 1 37 37 LEU HD13 H 1 0.939 0.000 . . . . . . 37 LEU HD11 . 15087 1 189 . 1 1 37 37 LEU N N 15 118.266 0.001 . . . . . . 37 LEU N . 15087 1 190 . 1 1 38 38 GLU H H 1 8.472 0.011 . . . . . . 38 GLU HN . 15087 1 191 . 1 1 38 38 GLU HA H 1 4.364 0.000 . . . . . . 38 GLU HA . 15087 1 192 . 1 1 38 38 GLU HB3 H 1 1.641 0.051 . . . . . . 38 GLU HB3 . 15087 1 193 . 1 1 38 38 GLU HG2 H 1 2.344 0.000 . . . . . . 38 GLU HG2 . 15087 1 194 . 1 1 38 38 GLU HG3 H 1 1.938 0.000 . . . . . . 38 GLU HG3 . 15087 1 195 . 1 1 38 38 GLU N N 15 121.854 0.009 . . . . . . 38 GLU N . 15087 1 196 . 1 1 39 39 HIS H H 1 8.274 0.004 . . . . . . 39 HIS HN . 15087 1 197 . 1 1 39 39 HIS HA H 1 4.979 0.000 . . . . . . 39 HIS HA . 15087 1 198 . 1 1 39 39 HIS HB2 H 1 3.386 0.000 . . . . . . 39 HIS HB2 . 15087 1 199 . 1 1 39 39 HIS HB3 H 1 3.084 0.000 . . . . . . 39 HIS HB3 . 15087 1 200 . 1 1 39 39 HIS N N 15 121.652 0.021 . . . . . . 39 HIS N . 15087 1 201 . 1 1 40 40 ASP H H 1 8.536 0.002 . . . . . . 40 ASP HN . 15087 1 202 . 1 1 40 40 ASP HA H 1 4.171 0.000 . . . . . . 40 ASP HA . 15087 1 203 . 1 1 40 40 ASP HB2 H 1 2.727 0.000 . . . . . . 40 ASP HB2 . 15087 1 204 . 1 1 40 40 ASP N N 15 118.330 0.000 . . . . . . 40 ASP N . 15087 1 205 . 1 1 41 41 GLN H H 1 8.312 0.013 . . . . . . 41 GLN HN . 15087 1 206 . 1 1 41 41 GLN HA H 1 4.906 0.000 . . . . . . 41 GLN HA . 15087 1 207 . 1 1 41 41 GLN HB2 H 1 2.501 0.000 . . . . . . 41 GLN HB2 . 15087 1 208 . 1 1 41 41 GLN HB3 H 1 1.678 0.000 . . . . . . 41 GLN HB3 . 15087 1 209 . 1 1 41 41 GLN HG2 H 1 2.240 0.000 . . . . . . 41 GLN HG2 . 15087 1 210 . 1 1 41 41 GLN N N 15 114.820 0.026 . . . . . . 41 GLN N . 15087 1 211 . 1 1 42 42 ALA H H 1 7.154 0.006 . . . . . . 42 ALA HN . 15087 1 212 . 1 1 42 42 ALA HA H 1 3.740 0.000 . . . . . . 42 ALA HA . 15087 1 213 . 1 1 42 42 ALA HB1 H 1 1.418 0.000 . . . . . . 42 ALA HB1 . 15087 1 214 . 1 1 42 42 ALA HB2 H 1 1.418 0.000 . . . . . . 42 ALA HB1 . 15087 1 215 . 1 1 42 42 ALA HB3 H 1 1.418 0.000 . . . . . . 42 ALA HB1 . 15087 1 216 . 1 1 42 42 ALA N N 15 122.090 0.020 . . . . . . 42 ALA N . 15087 1 217 . 1 1 43 43 ALA H H 1 8.983 0.021 . . . . . . 43 ALA HN . 15087 1 218 . 1 1 43 43 ALA HA H 1 4.239 0.000 . . . . . . 43 ALA HA . 15087 1 219 . 1 1 43 43 ALA HB1 H 1 1.605 0.000 . . . . . . 43 ALA HB1 . 15087 1 220 . 1 1 43 43 ALA HB2 H 1 1.605 0.000 . . . . . . 43 ALA HB1 . 15087 1 221 . 1 1 43 43 ALA HB3 H 1 1.605 0.000 . . . . . . 43 ALA HB1 . 15087 1 222 . 1 1 43 43 ALA N N 15 121.214 0.031 . . . . . . 43 ALA N . 15087 1 223 . 1 1 44 44 LYS H H 1 7.852 0.004 . . . . . . 44 LYS HN . 15087 1 224 . 1 1 44 44 LYS HA H 1 4.148 0.000 . . . . . . 44 LYS HA . 15087 1 225 . 1 1 44 44 LYS HB2 H 1 1.937 0.000 . . . . . . 44 LYS HB2 . 15087 1 226 . 1 1 44 44 LYS HG2 H 1 1.579 0.000 . . . . . . 44 LYS HG2 . 15087 1 227 . 1 1 44 44 LYS N N 15 120.049 0.034 . . . . . . 44 LYS N . 15087 1 228 . 1 1 45 45 VAL H H 1 8.592 0.002 . . . . . . 45 VAL HN . 15087 1 229 . 1 1 45 45 VAL HA H 1 3.656 0.000 . . . . . . 45 VAL HA . 15087 1 230 . 1 1 45 45 VAL HB H 1 1.928 0.000 . . . . . . 45 VAL HB . 15087 1 231 . 1 1 45 45 VAL HG11 H 1 0.979 0.002 . . . . . . 45 VAL HG11 . 15087 1 232 . 1 1 45 45 VAL HG12 H 1 0.979 0.002 . . . . . . 45 VAL HG11 . 15087 1 233 . 1 1 45 45 VAL HG13 H 1 0.979 0.002 . . . . . . 45 VAL HG11 . 15087 1 234 . 1 1 45 45 VAL N N 15 118.975 0.021 . . . . . . 45 VAL N . 15087 1 235 . 1 1 46 46 THR H H 1 8.441 0.003 . . . . . . 46 THR HN . 15087 1 236 . 1 1 46 46 THR HA H 1 3.625 0.000 . . . . . . 46 THR HA . 15087 1 237 . 1 1 46 46 THR HB H 1 4.354 0.000 . . . . . . 46 THR HB . 15087 1 238 . 1 1 46 46 THR HG21 H 1 1.307 0.007 . . . . . . 46 THR HG21 . 15087 1 239 . 1 1 46 46 THR HG22 H 1 1.307 0.007 . . . . . . 46 THR HG21 . 15087 1 240 . 1 1 46 46 THR HG23 H 1 1.307 0.007 . . . . . . 46 THR HG21 . 15087 1 241 . 1 1 46 46 THR N N 15 116.768 0.036 . . . . . . 46 THR N . 15087 1 242 . 1 1 47 47 GLY H H 1 7.727 0.003 . . . . . . 47 GLY HN . 15087 1 243 . 1 1 47 47 GLY HA2 H 1 3.957 0.000 . . . . . . 47 GLY HA1 . 15087 1 244 . 1 1 47 47 GLY HA3 H 1 3.737 0.000 . . . . . . 47 GLY HA2 . 15087 1 245 . 1 1 47 47 GLY N N 15 105.226 0.000 . . . . . . 47 GLY N . 15087 1 246 . 1 1 48 48 MET H H 1 7.642 0.001 . . . . . . 48 MET HN . 15087 1 247 . 1 1 48 48 MET HA H 1 4.083 0.000 . . . . . . 48 MET HA . 15087 1 248 . 1 1 48 48 MET HB2 H 1 2.272 0.000 . . . . . . 48 MET HB2 . 15087 1 249 . 1 1 48 48 MET HG2 H 1 2.751 0.000 . . . . . . 48 MET HG2 . 15087 1 250 . 1 1 48 48 MET HG3 H 1 2.563 0.000 . . . . . . 48 MET HG3 . 15087 1 251 . 1 1 48 48 MET N N 15 119.659 0.015 . . . . . . 48 MET N . 15087 1 252 . 1 1 49 49 LEU H H 1 8.229 0.006 . . . . . . 49 LEU HN . 15087 1 253 . 1 1 49 49 LEU HA H 1 4.054 0.000 . . . . . . 49 LEU HA . 15087 1 254 . 1 1 49 49 LEU HB2 H 1 2.019 0.018 . . . . . . 49 LEU HB2 . 15087 1 255 . 1 1 49 49 LEU HB3 H 1 1.303 0.000 . . . . . . 49 LEU HB3 . 15087 1 256 . 1 1 49 49 LEU HD11 H 1 0.777 0.004 . . . . . . 49 LEU HD11 . 15087 1 257 . 1 1 49 49 LEU HD12 H 1 0.777 0.004 . . . . . . 49 LEU HD11 . 15087 1 258 . 1 1 49 49 LEU HD13 H 1 0.777 0.004 . . . . . . 49 LEU HD11 . 15087 1 259 . 1 1 49 49 LEU N N 15 120.766 0.025 . . . . . . 49 LEU N . 15087 1 260 . 1 1 50 50 LEU H H 1 7.713 0.002 . . . . . . 50 LEU HN . 15087 1 261 . 1 1 50 50 LEU HA H 1 4.062 0.000 . . . . . . 50 LEU HA . 15087 1 262 . 1 1 50 50 LEU HB2 H 1 1.959 0.000 . . . . . . 50 LEU HB2 . 15087 1 263 . 1 1 50 50 LEU HG H 1 1.595 0.000 . . . . . . 50 LEU HG . 15087 1 264 . 1 1 50 50 LEU HD11 H 1 0.918 0.000 . . . . . . 50 LEU HD11 . 15087 1 265 . 1 1 50 50 LEU HD12 H 1 0.918 0.000 . . . . . . 50 LEU HD11 . 15087 1 266 . 1 1 50 50 LEU HD13 H 1 0.918 0.000 . . . . . . 50 LEU HD11 . 15087 1 267 . 1 1 50 50 LEU N N 15 114.589 0.004 . . . . . . 50 LEU N . 15087 1 268 . 1 1 51 51 GLU H H 1 7.135 0.002 . . . . . . 51 GLU HN . 15087 1 269 . 1 1 51 51 GLU HA H 1 4.260 0.000 . . . . . . 51 GLU HA . 15087 1 270 . 1 1 51 51 GLU HB2 H 1 2.032 0.000 . . . . . . 51 GLU HB2 . 15087 1 271 . 1 1 51 51 GLU HG2 H 1 2.605 0.000 . . . . . . 51 GLU HG2 . 15087 1 272 . 1 1 51 51 GLU HG3 H 1 2.292 0.000 . . . . . . 51 GLU HG3 . 15087 1 273 . 1 1 51 51 GLU N N 15 116.106 0.044 . . . . . . 51 GLU N . 15087 1 274 . 1 1 52 52 MET H H 1 7.441 0.002 . . . . . . 52 MET HN . 15087 1 275 . 1 1 52 52 MET HA H 1 4.291 0.000 . . . . . . 52 MET HA . 15087 1 276 . 1 1 52 52 MET HB2 H 1 2.272 0.000 . . . . . . 52 MET HB2 . 15087 1 277 . 1 1 52 52 MET HG2 H 1 2.844 0.000 . . . . . . 52 MET HG2 . 15087 1 278 . 1 1 52 52 MET HG3 H 1 2.574 0.000 . . . . . . 52 MET HG3 . 15087 1 279 . 1 1 52 52 MET N N 15 117.656 0.027 . . . . . . 52 MET N . 15087 1 280 . 1 1 53 53 ASP H H 1 8.470 0.012 . . . . . . 53 ASP HN . 15087 1 281 . 1 1 53 53 ASP HA H 1 4.458 0.000 . . . . . . 53 ASP HA . 15087 1 282 . 1 1 53 53 ASP HB2 H 1 2.771 0.000 . . . . . . 53 ASP HB2 . 15087 1 283 . 1 1 53 53 ASP HB3 H 1 2.636 0.000 . . . . . . 53 ASP HB3 . 15087 1 284 . 1 1 53 53 ASP N N 15 118.717 0.000 . . . . . . 53 ASP N . 15087 1 285 . 1 1 54 54 GLN H H 1 8.912 0.004 . . . . . . 54 GLN HN . 15087 1 286 . 1 1 54 54 GLN HA H 1 3.802 0.000 . . . . . . 54 GLN HA . 15087 1 287 . 1 1 54 54 GLN HB2 H 1 2.240 0.000 . . . . . . 54 GLN HB2 . 15087 1 288 . 1 1 54 54 GLN HB3 H 1 2.063 0.000 . . . . . . 54 GLN HB3 . 15087 1 289 . 1 1 54 54 GLN N N 15 123.379 0.030 . . . . . . 54 GLN N . 15087 1 290 . 1 1 55 55 THR H H 1 8.381 0.005 . . . . . . 55 THR HN . 15087 1 291 . 1 1 55 55 THR HA H 1 3.877 0.000 . . . . . . 55 THR HA . 15087 1 292 . 1 1 55 55 THR HB H 1 4.209 0.000 . . . . . . 55 THR HB . 15087 1 293 . 1 1 55 55 THR HG21 H 1 1.314 0.000 . . . . . . 55 THR HG21 . 15087 1 294 . 1 1 55 55 THR HG22 H 1 1.314 0.000 . . . . . . 55 THR HG21 . 15087 1 295 . 1 1 55 55 THR HG23 H 1 1.314 0.000 . . . . . . 55 THR HG21 . 15087 1 296 . 1 1 55 55 THR N N 15 111.961 0.029 . . . . . . 55 THR N . 15087 1 297 . 1 1 56 56 GLU H H 1 7.429 0.003 . . . . . . 56 GLU HN . 15087 1 298 . 1 1 56 56 GLU HA H 1 4.219 0.000 . . . . . . 56 GLU HA . 15087 1 299 . 1 1 56 56 GLU HB2 H 1 2.365 0.000 . . . . . . 56 GLU HB2 . 15087 1 300 . 1 1 56 56 GLU HB3 H 1 2.199 0.000 . . . . . . 56 GLU HB3 . 15087 1 301 . 1 1 56 56 GLU N N 15 121.643 0.015 . . . . . . 56 GLU N . 15087 1 302 . 1 1 57 57 VAL H H 1 7.978 0.013 . . . . . . 57 VAL HN . 15087 1 303 . 1 1 57 57 VAL HA H 1 3.448 0.000 . . . . . . 57 VAL HA . 15087 1 304 . 1 1 57 57 VAL HB H 1 2.147 0.000 . . . . . . 57 VAL HB . 15087 1 305 . 1 1 57 57 VAL HG11 H 1 1.016 0.000 . . . . . . 57 VAL HG11 . 15087 1 306 . 1 1 57 57 VAL HG12 H 1 1.016 0.000 . . . . . . 57 VAL HG11 . 15087 1 307 . 1 1 57 57 VAL HG13 H 1 1.016 0.000 . . . . . . 57 VAL HG11 . 15087 1 308 . 1 1 57 57 VAL N N 15 120.111 0.032 . . . . . . 57 VAL N . 15087 1 309 . 1 1 58 58 LEU H H 1 8.269 0.004 . . . . . . 58 LEU HN . 15087 1 310 . 1 1 58 58 LEU HA H 1 3.875 0.000 . . . . . . 58 LEU HA . 15087 1 311 . 1 1 58 58 LEU HB2 H 1 1.834 0.000 . . . . . . 58 LEU HB2 . 15087 1 312 . 1 1 58 58 LEU HB3 H 1 1.543 0.000 . . . . . . 58 LEU HB3 . 15087 1 313 . 1 1 58 58 LEU HD11 H 1 0.897 0.000 . . . . . . 58 LEU HD11 . 15087 1 314 . 1 1 58 58 LEU HD12 H 1 0.897 0.000 . . . . . . 58 LEU HD11 . 15087 1 315 . 1 1 58 58 LEU HD13 H 1 0.897 0.000 . . . . . . 58 LEU HD11 . 15087 1 316 . 1 1 58 58 LEU N N 15 118.075 0.045 . . . . . . 58 LEU N . 15087 1 317 . 1 1 59 59 HIS H H 1 7.396 0.002 . . . . . . 59 HIS HN . 15087 1 318 . 1 1 59 59 HIS HA H 1 4.593 0.000 . . . . . . 59 HIS HA . 15087 1 319 . 1 1 59 59 HIS HB2 H 1 3.511 0.000 . . . . . . 59 HIS HB2 . 15087 1 320 . 1 1 59 59 HIS HB3 H 1 3.318 0.000 . . . . . . 59 HIS HB3 . 15087 1 321 . 1 1 59 59 HIS N N 15 115.706 0.031 . . . . . . 59 HIS N . 15087 1 322 . 1 1 60 60 LEU H H 1 7.820 0.000 . . . . . . 60 LEU HN . 15087 1 323 . 1 1 60 60 LEU HA H 1 3.865 0.000 . . . . . . 60 LEU HA . 15087 1 324 . 1 1 60 60 LEU HB2 H 1 2.209 0.000 . . . . . . 60 LEU HB2 . 15087 1 325 . 1 1 60 60 LEU HB3 H 1 1.355 0.000 . . . . . . 60 LEU HB3 . 15087 1 326 . 1 1 60 60 LEU HD11 H 1 0.911 0.000 . . . . . . 60 LEU HD11 . 15087 1 327 . 1 1 60 60 LEU HD12 H 1 0.911 0.000 . . . . . . 60 LEU HD11 . 15087 1 328 . 1 1 60 60 LEU HD13 H 1 0.911 0.000 . . . . . . 60 LEU HD11 . 15087 1 329 . 1 1 60 60 LEU HD21 H 1 0.765 0.000 . . . . . . 60 LEU HD21 . 15087 1 330 . 1 1 60 60 LEU HD22 H 1 0.765 0.000 . . . . . . 60 LEU HD21 . 15087 1 331 . 1 1 60 60 LEU HD23 H 1 0.765 0.000 . . . . . . 60 LEU HD21 . 15087 1 332 . 1 1 60 60 LEU N N 15 117.600 0.000 . . . . . . 60 LEU N . 15087 1 333 . 1 1 61 61 LEU H H 1 7.416 0.006 . . . . . . 61 LEU HN . 15087 1 334 . 1 1 61 61 LEU HA H 1 3.885 0.000 . . . . . . 61 LEU HA . 15087 1 335 . 1 1 61 61 LEU HB2 H 1 2.147 0.000 . . . . . . 61 LEU HB2 . 15087 1 336 . 1 1 61 61 LEU HB3 H 1 1.439 0.000 . . . . . . 61 LEU HB3 . 15087 1 337 . 1 1 61 61 LEU HD11 H 1 0.869 0.000 . . . . . . 61 LEU HD11 . 15087 1 338 . 1 1 61 61 LEU HD12 H 1 0.869 0.000 . . . . . . 61 LEU HD11 . 15087 1 339 . 1 1 61 61 LEU HD13 H 1 0.869 0.000 . . . . . . 61 LEU HD11 . 15087 1 340 . 1 1 61 61 LEU N N 15 113.558 0.026 . . . . . . 61 LEU N . 15087 1 341 . 1 1 62 62 GLU H H 1 7.328 0.002 . . . . . . 62 GLU HN . 15087 1 342 . 1 1 62 62 GLU HA H 1 4.427 0.000 . . . . . . 62 GLU HA . 15087 1 343 . 1 1 62 62 GLU HB2 H 1 2.136 0.000 . . . . . . 62 GLU HB2 . 15087 1 344 . 1 1 62 62 GLU HG2 H 1 2.417 0.000 . . . . . . 62 GLU HG2 . 15087 1 345 . 1 1 62 62 GLU N N 15 115.551 0.031 . . . . . . 62 GLU N . 15087 1 346 . 1 1 63 63 SER H H 1 7.255 0.002 . . . . . . 63 SER HN . 15087 1 347 . 1 1 63 63 SER HA H 1 5.072 0.000 . . . . . . 63 SER HA . 15087 1 348 . 1 1 63 63 SER HB2 H 1 3.563 0.000 . . . . . . 63 SER HB2 . 15087 1 349 . 1 1 63 63 SER N N 15 113.558 0.019 . . . . . . 63 SER N . 15087 1 350 . 1 1 65 65 ASP H H 1 8.355 0.003 . . . . . . 65 ASP HN . 15087 1 351 . 1 1 65 65 ASP HA H 1 4.385 0.000 . . . . . . 65 ASP HA . 15087 1 352 . 1 1 65 65 ASP HB2 H 1 2.657 0.000 . . . . . . 65 ASP HB2 . 15087 1 353 . 1 1 65 65 ASP HB3 H 1 2.501 0.000 . . . . . . 65 ASP HB3 . 15087 1 354 . 1 1 65 65 ASP N N 15 116.117 0.019 . . . . . . 65 ASP N . 15087 1 355 . 1 1 66 66 ALA H H 1 7.739 0.005 . . . . . . 66 ALA HN . 15087 1 356 . 1 1 66 66 ALA HA H 1 4.271 0.000 . . . . . . 66 ALA HA . 15087 1 357 . 1 1 66 66 ALA HB1 H 1 1.470 0.000 . . . . . . 66 ALA HB1 . 15087 1 358 . 1 1 66 66 ALA HB2 H 1 1.470 0.000 . . . . . . 66 ALA HB1 . 15087 1 359 . 1 1 66 66 ALA HB3 H 1 1.470 0.000 . . . . . . 66 ALA HB1 . 15087 1 360 . 1 1 66 66 ALA N N 15 124.135 0.031 . . . . . . 66 ALA N . 15087 1 361 . 1 1 67 67 LEU H H 1 8.230 0.003 . . . . . . 67 LEU HN . 15087 1 362 . 1 1 67 67 LEU HA H 1 4.021 0.000 . . . . . . 67 LEU HA . 15087 1 363 . 1 1 67 67 LEU HB2 H 1 1.943 0.000 . . . . . . 67 LEU HB2 . 15087 1 364 . 1 1 67 67 LEU HG H 1 1.441 0.000 . . . . . . 67 LEU HG . 15087 1 365 . 1 1 67 67 LEU N N 15 119.207 0.006 . . . . . . 67 LEU N . 15087 1 366 . 1 1 68 68 LYS H H 1 8.310 0.003 . . . . . . 68 LYS HN . 15087 1 367 . 1 1 68 68 LYS HA H 1 3.824 0.000 . . . . . . 68 LYS HA . 15087 1 368 . 1 1 68 68 LYS HB2 H 1 1.976 0.000 . . . . . . 68 LYS HB2 . 15087 1 369 . 1 1 68 68 LYS HG2 H 1 1.624 0.000 . . . . . . 68 LYS HG2 . 15087 1 370 . 1 1 68 68 LYS HG3 H 1 1.489 0.000 . . . . . . 68 LYS HG3 . 15087 1 371 . 1 1 68 68 LYS N N 15 117.857 0.033 . . . . . . 68 LYS N . 15087 1 372 . 1 1 69 69 ALA H H 1 7.474 0.008 . . . . . . 69 ALA HN . 15087 1 373 . 1 1 69 69 ALA HA H 1 4.260 0.000 . . . . . . 69 ALA HA . 15087 1 374 . 1 1 69 69 ALA HB1 H 1 1.595 0.000 . . . . . . 69 ALA HB1 . 15087 1 375 . 1 1 69 69 ALA HB2 H 1 1.595 0.000 . . . . . . 69 ALA HB1 . 15087 1 376 . 1 1 69 69 ALA HB3 H 1 1.595 0.000 . . . . . . 69 ALA HB1 . 15087 1 377 . 1 1 69 69 ALA N N 15 119.887 0.021 . . . . . . 69 ALA N . 15087 1 378 . 1 1 70 70 LYS H H 1 8.037 0.002 . . . . . . 70 LYS HN . 15087 1 379 . 1 1 70 70 LYS HA H 1 4.260 0.000 . . . . . . 70 LYS HA . 15087 1 380 . 1 1 70 70 LYS HB2 H 1 2.043 0.000 . . . . . . 70 LYS HB2 . 15087 1 381 . 1 1 70 70 LYS HB3 H 1 1.824 0.000 . . . . . . 70 LYS HB3 . 15087 1 382 . 1 1 70 70 LYS HG2 H 1 1.638 0.000 . . . . . . 70 LYS HG2 . 15087 1 383 . 1 1 70 70 LYS HG3 H 1 1.510 0.000 . . . . . . 70 LYS HG3 . 15087 1 384 . 1 1 70 70 LYS N N 15 118.735 0.033 . . . . . . 70 LYS N . 15087 1 385 . 1 1 71 71 VAL H H 1 8.896 0.014 . . . . . . 71 VAL HN . 15087 1 386 . 1 1 71 71 VAL HA H 1 3.563 0.000 . . . . . . 71 VAL HA . 15087 1 387 . 1 1 71 71 VAL HB H 1 2.230 0.000 . . . . . . 71 VAL HB . 15087 1 388 . 1 1 71 71 VAL HG11 H 1 1.022 0.000 . . . . . . 71 VAL HG11 . 15087 1 389 . 1 1 71 71 VAL HG12 H 1 1.022 0.000 . . . . . . 71 VAL HG11 . 15087 1 390 . 1 1 71 71 VAL HG13 H 1 1.022 0.000 . . . . . . 71 VAL HG11 . 15087 1 391 . 1 1 71 71 VAL N N 15 121.214 0.036 . . . . . . 71 VAL N . 15087 1 392 . 1 1 72 72 ALA H H 1 7.785 0.014 . . . . . . 72 ALA HN . 15087 1 393 . 1 1 72 72 ALA HA H 1 4.187 0.000 . . . . . . 72 ALA HA . 15087 1 394 . 1 1 72 72 ALA HB1 H 1 1.574 0.000 . . . . . . 72 ALA HB1 . 15087 1 395 . 1 1 72 72 ALA HB2 H 1 1.574 0.000 . . . . . . 72 ALA HB1 . 15087 1 396 . 1 1 72 72 ALA HB3 H 1 1.574 0.000 . . . . . . 72 ALA HB1 . 15087 1 397 . 1 1 72 72 ALA N N 15 120.982 0.013 . . . . . . 72 ALA N . 15087 1 398 . 1 1 73 73 GLU H H 1 7.829 0.008 . . . . . . 73 GLU HN . 15087 1 399 . 1 1 73 73 GLU HA H 1 4.062 0.000 . . . . . . 73 GLU HA . 15087 1 400 . 1 1 73 73 GLU HB2 H 1 2.211 0.000 . . . . . . 73 GLU HB2 . 15087 1 401 . 1 1 73 73 GLU HG2 H 1 2.511 0.000 . . . . . . 73 GLU HG2 . 15087 1 402 . 1 1 73 73 GLU N N 15 118.785 0.023 . . . . . . 73 GLU N . 15087 1 403 . 1 1 74 74 ALA H H 1 8.168 0.006 . . . . . . 74 ALA HN . 15087 1 404 . 1 1 74 74 ALA HA H 1 4.156 0.000 . . . . . . 74 ALA HA . 15087 1 405 . 1 1 74 74 ALA HB1 H 1 1.616 0.000 . . . . . . 74 ALA HB1 . 15087 1 406 . 1 1 74 74 ALA HB2 H 1 1.616 0.000 . . . . . . 74 ALA HB1 . 15087 1 407 . 1 1 74 74 ALA HB3 H 1 1.616 0.000 . . . . . . 74 ALA HB1 . 15087 1 408 . 1 1 74 74 ALA N N 15 122.722 0.041 . . . . . . 74 ALA N . 15087 1 409 . 1 1 75 75 MET H H 1 8.462 0.011 . . . . . . 75 MET HN . 15087 1 410 . 1 1 75 75 MET HA H 1 4.416 0.000 . . . . . . 75 MET HA . 15087 1 411 . 1 1 75 75 MET HB2 H 1 2.282 0.000 . . . . . . 75 MET HB2 . 15087 1 412 . 1 1 75 75 MET HB3 H 1 1.980 0.000 . . . . . . 75 MET HB3 . 15087 1 413 . 1 1 75 75 MET HG2 H 1 2.692 0.000 . . . . . . 75 MET HG2 . 15087 1 414 . 1 1 75 75 MET HG3 H 1 2.568 0.000 . . . . . . 75 MET HG3 . 15087 1 415 . 1 1 75 75 MET N N 15 115.303 0.044 . . . . . . 75 MET N . 15087 1 416 . 1 1 76 76 GLU H H 1 7.729 0.001 . . . . . . 76 GLU HN . 15087 1 417 . 1 1 76 76 GLU HA H 1 4.156 0.000 . . . . . . 76 GLU HA . 15087 1 418 . 1 1 76 76 GLU HB2 H 1 2.220 0.000 . . . . . . 76 GLU HB2 . 15087 1 419 . 1 1 76 76 GLU HG2 H 1 2.386 0.000 . . . . . . 76 GLU HG2 . 15087 1 420 . 1 1 76 76 GLU N N 15 120.045 0.036 . . . . . . 76 GLU N . 15087 1 421 . 1 1 77 77 VAL H H 1 7.644 0.005 . . . . . . 77 VAL HN . 15087 1 422 . 1 1 77 77 VAL HA H 1 3.688 0.000 . . . . . . 77 VAL HA . 15087 1 423 . 1 1 77 77 VAL HB H 1 2.376 0.000 . . . . . . 77 VAL HB . 15087 1 424 . 1 1 77 77 VAL HG11 H 1 1.126 0.000 . . . . . . 77 VAL HG11 . 15087 1 425 . 1 1 77 77 VAL HG12 H 1 1.126 0.000 . . . . . . 77 VAL HG11 . 15087 1 426 . 1 1 77 77 VAL HG13 H 1 1.126 0.000 . . . . . . 77 VAL HG11 . 15087 1 427 . 1 1 77 77 VAL HG21 H 1 0.960 0.000 . . . . . . 77 VAL HG21 . 15087 1 428 . 1 1 77 77 VAL HG22 H 1 0.960 0.000 . . . . . . 77 VAL HG21 . 15087 1 429 . 1 1 77 77 VAL HG23 H 1 0.960 0.000 . . . . . . 77 VAL HG21 . 15087 1 430 . 1 1 77 77 VAL N N 15 120.982 0.017 . . . . . . 77 VAL N . 15087 1 431 . 1 1 78 78 LEU H H 1 8.225 0.009 . . . . . . 78 LEU HN . 15087 1 432 . 1 1 78 78 LEU HA H 1 4.052 0.000 . . . . . . 78 LEU HA . 15087 1 433 . 1 1 78 78 LEU HB2 H 1 1.543 0.000 . . . . . . 78 LEU HB2 . 15087 1 434 . 1 1 78 78 LEU HD11 H 1 0.893 0.016 . . . . . . 78 LEU HD11 . 15087 1 435 . 1 1 78 78 LEU HD12 H 1 0.893 0.016 . . . . . . 78 LEU HD11 . 15087 1 436 . 1 1 78 78 LEU HD13 H 1 0.893 0.016 . . . . . . 78 LEU HD11 . 15087 1 437 . 1 1 78 78 LEU N N 15 119.631 0.026 . . . . . . 78 LEU N . 15087 1 438 . 1 1 79 79 ARG H H 1 8.317 0.003 . . . . . . 79 ARG HN . 15087 1 439 . 1 1 79 79 ARG HA H 1 4.114 0.000 . . . . . . 79 ARG HA . 15087 1 440 . 1 1 79 79 ARG HB2 H 1 1.949 0.000 . . . . . . 79 ARG HB2 . 15087 1 441 . 1 1 79 79 ARG HG2 H 1 1.793 0.000 . . . . . . 79 ARG HG2 . 15087 1 442 . 1 1 79 79 ARG HG3 H 1 1.584 0.000 . . . . . . 79 ARG HG3 . 15087 1 443 . 1 1 79 79 ARG HD2 H 1 3.209 0.000 . . . . . . 79 ARG HD2 . 15087 1 444 . 1 1 79 79 ARG N N 15 118.701 0.035 . . . . . . 79 ARG N . 15087 1 445 . 1 1 80 80 SER H H 1 7.888 0.004 . . . . . . 80 SER HN . 15087 1 446 . 1 1 80 80 SER HA H 1 4.343 0.000 . . . . . . 80 SER HA . 15087 1 447 . 1 1 80 80 SER HB2 H 1 4.062 0.000 . . . . . . 80 SER HB2 . 15087 1 448 . 1 1 80 80 SER N N 15 114.602 0.022 . . . . . . 80 SER N . 15087 1 449 . 1 1 81 81 ALA H H 1 7.770 0.002 . . . . . . 81 ALA HN . 15087 1 450 . 1 1 81 81 ALA HA H 1 4.323 0.000 . . . . . . 81 ALA HA . 15087 1 451 . 1 1 81 81 ALA HB1 H 1 1.522 0.000 . . . . . . 81 ALA HB1 . 15087 1 452 . 1 1 81 81 ALA HB2 H 1 1.522 0.000 . . . . . . 81 ALA HB1 . 15087 1 453 . 1 1 81 81 ALA HB3 H 1 1.522 0.000 . . . . . . 81 ALA HB1 . 15087 1 454 . 1 1 81 81 ALA N N 15 123.201 0.037 . . . . . . 81 ALA N . 15087 1 455 . 1 1 82 82 GLN H H 1 7.863 0.001 . . . . . . 82 GLN HN . 15087 1 456 . 1 1 82 82 GLN HA H 1 4.271 0.000 . . . . . . 82 GLN HA . 15087 1 457 . 1 1 82 82 GLN HB2 H 1 2.168 0.000 . . . . . . 82 GLN HB2 . 15087 1 458 . 1 1 82 82 GLN HB3 H 1 2.063 0.000 . . . . . . 82 GLN HB3 . 15087 1 459 . 1 1 82 82 GLN HG2 H 1 2.438 0.000 . . . . . . 82 GLN HG2 . 15087 1 460 . 1 1 82 82 GLN N N 15 117.382 0.027 . . . . . . 82 GLN N . 15087 1 461 . 1 1 83 83 GLN H H 1 8.010 0.009 . . . . . . 83 GLN HN . 15087 1 462 . 1 1 83 83 GLN HA H 1 4.281 0.000 . . . . . . 83 GLN HA . 15087 1 463 . 1 1 83 83 GLN HB2 H 1 2.147 0.000 . . . . . . 83 GLN HB2 . 15087 1 464 . 1 1 83 83 GLN HB3 H 1 2.022 0.000 . . . . . . 83 GLN HB3 . 15087 1 465 . 1 1 83 83 GLN HG2 H 1 2.397 0.000 . . . . . . 83 GLN HG2 . 15087 1 466 . 1 1 83 83 GLN N N 15 119.169 0.005 . . . . . . 83 GLN N . 15087 1 467 . 1 1 84 84 HIS H H 1 8.172 0.006 . . . . . . 84 HIS HN . 15087 1 468 . 1 1 84 84 HIS HA H 1 4.744 0.000 . . . . . . 84 HIS HA . 15087 1 469 . 1 1 84 84 HIS N N 15 120.326 0.035 . . . . . . 84 HIS N . 15087 1 470 . 1 1 85 85 THR H H 1 8.081 0.013 . . . . . . 85 THR HN . 15087 1 471 . 1 1 85 85 THR N N 15 114.873 0.000 . . . . . . 85 THR N . 15087 1 stop_ save_