################################### # 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 17542 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 17542 1 2 '2D 1H-1H TOCSY' . . . 17542 1 5 '2D 1H-15N HSQC' . . . 17542 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 4 4 GLU HA H 1 3.985 0.000 . 1 . . . A 235 GLU HA . 17542 1 2 . 1 1 4 4 GLU HB2 H 1 1.666 0.004 . 2 . . . A 235 GLU HB2 . 17542 1 3 . 1 1 4 4 GLU HB3 H 1 1.488 0.000 . 2 . . . A 235 GLU HB3 . 17542 1 4 . 1 1 4 4 GLU HG2 H 1 2.051 0.000 . 2 . . . A 235 GLU HG2 . 17542 1 5 . 1 1 4 4 GLU HG3 H 1 1.981 0.000 . 2 . . . A 235 GLU HG3 . 17542 1 6 . 1 1 4 4 GLU H H 1 7.839 0.000 . 1 . . . A 235 GLU HN . 17542 1 7 . 1 1 5 5 LEU HA H 1 4.116 0.001 . 1 . . . A 236 LEU HA . 17542 1 8 . 1 1 5 5 LEU HB2 H 1 1.487 0.000 . 2 . . . A 236 LEU HB2 . 17542 1 9 . 1 1 5 5 LEU HB3 H 1 1.220 0.000 . 2 . . . A 236 LEU HB3 . 17542 1 10 . 1 1 5 5 LEU HG H 1 1.504 0.005 . 1 . . . A 236 LEU HG . 17542 1 11 . 1 1 5 5 LEU HD11 H 1 0.749 0.000 . 1 . . . A 236 LEU HD12 . 17542 1 12 . 1 1 5 5 LEU HD12 H 1 0.749 0.000 . 1 . . . A 236 LEU HD12 . 17542 1 13 . 1 1 5 5 LEU HD13 H 1 0.749 0.000 . 1 . . . A 236 LEU HD12 . 17542 1 14 . 1 1 5 5 LEU HD21 H 1 0.589 0.007 . 1 . . . A 236 LEU HD22 . 17542 1 15 . 1 1 5 5 LEU HD22 H 1 0.589 0.007 . 1 . . . A 236 LEU HD22 . 17542 1 16 . 1 1 5 5 LEU HD23 H 1 0.589 0.007 . 1 . . . A 236 LEU HD22 . 17542 1 17 . 1 1 5 5 LEU H H 1 8.389 0.002 . 1 . . . A 236 LEU HN . 17542 1 18 . 1 1 6 6 PRO HA H 1 4.241 0.000 . 1 . . . A 237 PRO HA . 17542 1 19 . 1 1 6 6 PRO HB2 H 1 2.063 0.000 . 2 . . . A 237 PRO HB2 . 17542 1 20 . 1 1 6 6 PRO HB3 H 1 1.799 0.000 . 2 . . . A 237 PRO HB3 . 17542 1 21 . 1 1 6 6 PRO HG2 H 1 1.746 0.004 . 2 . . . A 237 PRO HG2 . 17542 1 22 . 1 1 6 6 PRO HG3 H 1 1.652 0.002 . 2 . . . A 237 PRO HG3 . 17542 1 23 . 1 1 6 6 PRO HD2 H 1 3.378 0.000 . 2 . . . A 237 PRO HD2 . 17542 1 24 . 1 1 6 6 PRO HD3 H 1 2.922 0.000 . 2 . . . A 237 PRO HD3 . 17542 1 25 . 1 1 6 6 PRO CA C 13 60.643 0.000 . 1 . . . A 237 PRO CA . 17542 1 26 . 1 1 6 6 PRO CB C 13 29.616 0.000 . 1 . . . A 237 PRO CB . 17542 1 27 . 1 1 7 7 GLU HA H 1 3.879 0.000 . 1 . . . A 238 GLU HA . 17542 1 28 . 1 1 7 7 GLU HB2 H 1 1.851 0.000 . 2 . . . A 238 GLU HB2 . 17542 1 29 . 1 1 7 7 GLU HB3 H 1 1.783 0.002 . 2 . . . A 238 GLU HB3 . 17542 1 30 . 1 1 7 7 GLU HG2 H 1 2.103 0.002 . 2 . . . A 238 GLU HG2 . 17542 1 31 . 1 1 7 7 GLU HG3 H 1 2.057 0.002 . 2 . . . A 238 GLU HG3 . 17542 1 32 . 1 1 7 7 GLU H H 1 8.360 0.000 . 1 . . . A 238 GLU HN . 17542 1 33 . 1 1 7 7 GLU CA C 13 54.703 0.000 . 1 . . . A 238 GLU CA . 17542 1 34 . 1 1 7 7 GLU CB C 13 27.031 0.000 . 1 . . . A 238 GLU CB . 17542 1 35 . 1 1 7 7 GLU N N 15 121.714 0.000 . 1 . . . A 238 GLU N . 17542 1 36 . 1 1 8 8 GLY HA2 H 1 3.369 0.001 . 1 . . . A 239 GLY HA2 . 17542 1 37 . 1 1 8 8 GLY HA3 H 1 3.832 0.000 . 1 . . . A 239 GLY HA3 . 17542 1 38 . 1 1 8 8 GLY H H 1 8.598 0.003 . 1 . . . A 239 GLY HN . 17542 1 39 . 1 1 8 8 GLY CA C 13 42.404 0.002 . 1 . . . A 239 GLY CA . 17542 1 40 . 1 1 8 8 GLY N N 15 111.421 0.000 . 1 . . . A 239 GLY N . 17542 1 41 . 1 1 9 9 TYR HA H 1 5.326 0.001 . 1 . . . A 240 TYR HA . 17542 1 42 . 1 1 9 9 TYR HB2 H 1 2.760 0.003 . 1 . . . A 240 TYR HB2 . 17542 1 43 . 1 1 9 9 TYR HB3 H 1 2.524 0.007 . 2 . . . A 240 TYR HB3 . 17542 1 44 . 1 1 9 9 TYR HD2 H 1 6.760 0.074 . 1 . . . A 240 TYR HD2 . 17542 1 45 . 1 1 9 9 TYR HE2 H 1 6.641 0.002 . 1 . . . A 240 TYR HE2 . 17542 1 46 . 1 1 9 9 TYR H H 1 7.637 0.003 . 1 . . . A 240 TYR HN . 17542 1 47 . 1 1 9 9 TYR CA C 13 55.122 0.002 . 1 . . . A 240 TYR CA . 17542 1 48 . 1 1 9 9 TYR CB C 13 39.539 0.000 . 1 . . . A 240 TYR CB . 17542 1 49 . 1 1 9 9 TYR N N 15 117.481 0.005 . 1 . . . A 240 TYR N . 17542 1 50 . 1 1 10 10 GLU HA H 1 4.465 0.000 . 1 . . . A 241 GLU HA . 17542 1 51 . 1 1 10 10 GLU HB2 H 1 1.776 0.001 . 2 . . . A 241 GLU HB2 . 17542 1 52 . 1 1 10 10 GLU HB3 H 1 1.533 0.000 . 2 . . . A 241 GLU HB3 . 17542 1 53 . 1 1 10 10 GLU HG2 H 1 1.997 0.005 . 2 . . . A 241 GLU HG2 . 17542 1 54 . 1 1 10 10 GLU HG3 H 1 1.858 0.006 . 2 . . . A 241 GLU HG3 . 17542 1 55 . 1 1 10 10 GLU H H 1 9.035 0.001 . 1 . . . A 241 GLU HN . 17542 1 56 . 1 1 10 10 GLU CA C 13 52.187 0.000 . 1 . . . A 241 GLU CA . 17542 1 57 . 1 1 10 10 GLU CB C 13 31.363 0.001 . 1 . . . A 241 GLU CB . 17542 1 58 . 1 1 10 10 GLU N N 15 118.898 0.010 . 1 . . . A 241 GLU N . 17542 1 59 . 1 1 11 11 GLN HA H 1 4.270 0.003 . 1 . . . A 242 GLN HA . 17542 1 60 . 1 1 11 11 GLN HB2 H 1 1.601 0.002 . 1 . . . A 242 GLN HB2 . 17542 1 61 . 1 1 11 11 GLN HG2 H 1 1.717 0.006 . 1 . . . A 242 GLN HG2 . 17542 1 62 . 1 1 11 11 GLN HE21 H 1 6.818 0.000 . 1 . . . A 242 GLN HE21 . 17542 1 63 . 1 1 11 11 GLN HE22 H 1 6.682 0.000 . 1 . . . A 242 GLN HE22 . 17542 1 64 . 1 1 11 11 GLN H H 1 8.749 0.001 . 1 . . . A 242 GLN HN . 17542 1 65 . 1 1 11 11 GLN CA C 13 53.096 0.003 . 1 . . . A 242 GLN CA . 17542 1 66 . 1 1 11 11 GLN CB C 13 27.450 0.004 . 1 . . . A 242 GLN CB . 17542 1 67 . 1 1 11 11 GLN N N 15 124.736 0.000 . 1 . . . A 242 GLN N . 17542 1 68 . 1 1 12 12 ARG HA H 1 4.227 0.000 . 1 . . . A 243 ARG HA . 17542 1 69 . 1 1 12 12 ARG HB2 H 1 0.432 0.000 . 1 . . . A 243 ARG HB2 . 17542 1 70 . 1 1 12 12 ARG HB3 H 1 -0.290 0.000 . 2 . . . A 243 ARG HB3 . 17542 1 71 . 1 1 12 12 ARG HG2 H 1 1.111 0.032 . 2 . . . A 243 ARG HG2 . 17542 1 72 . 1 1 12 12 ARG HG3 H 1 0.945 0.000 . 2 . . . A 243 ARG HG3 . 17542 1 73 . 1 1 12 12 ARG HD2 H 1 2.959 0.001 . 2 . . . A 243 ARG HD2 . 17542 1 74 . 1 1 12 12 ARG HD3 H 1 2.733 0.000 . 2 . . . A 243 ARG HD3 . 17542 1 75 . 1 1 12 12 ARG H H 1 8.182 0.003 . 1 . . . A 243 ARG HN . 17542 1 76 . 1 1 12 12 ARG CA C 13 53.934 0.002 . 1 . . . A 243 ARG CA . 17542 1 77 . 1 1 12 12 ARG CB C 13 28.289 0.000 . 1 . . . A 243 ARG CB . 17542 1 78 . 1 1 12 12 ARG N N 15 126.899 0.005 . 1 . . . A 243 ARG N . 17542 1 79 . 1 1 13 13 THR HA H 1 5.137 0.000 . 1 . . . A 244 THR HA . 17542 1 80 . 1 1 13 13 THR HB H 1 3.667 0.000 . 1 . . . A 244 THR HB . 17542 1 81 . 1 1 13 13 THR HG21 H 1 0.916 0.002 . 1 . . . A 244 THR HG22 . 17542 1 82 . 1 1 13 13 THR HG22 H 1 0.916 0.002 . 1 . . . A 244 THR HG22 . 17542 1 83 . 1 1 13 13 THR HG23 H 1 0.916 0.002 . 1 . . . A 244 THR HG22 . 17542 1 84 . 1 1 13 13 THR H H 1 7.782 0.002 . 1 . . . A 244 THR HN . 17542 1 85 . 1 1 13 13 THR CA C 13 59.455 0.002 . 1 . . . A 244 THR CA . 17542 1 86 . 1 1 13 13 THR CB C 13 67.335 0.001 . 1 . . . A 244 THR CB . 17542 1 87 . 1 1 13 13 THR N N 15 115.913 0.003 . 1 . . . A 244 THR N . 17542 1 88 . 1 1 14 14 THR HA H 1 4.547 0.000 . 1 . . . A 245 THR HA . 17542 1 89 . 1 1 14 14 THR HB H 1 3.659 0.000 . 1 . . . A 245 THR HB . 17542 1 90 . 1 1 14 14 THR HG21 H 1 1.371 0.006 . 1 . . . A 245 THR HG22 . 17542 1 91 . 1 1 14 14 THR HG22 H 1 1.371 0.006 . 1 . . . A 245 THR HG22 . 17542 1 92 . 1 1 14 14 THR HG23 H 1 1.371 0.006 . 1 . . . A 245 THR HG22 . 17542 1 93 . 1 1 14 14 THR H H 1 9.182 0.020 . 1 . . . A 245 THR HN . 17542 1 94 . 1 1 14 14 THR CA C 13 59.356 0.000 . 1 . . . A 245 THR CA . 17542 1 95 . 1 1 14 14 THR CB C 13 67.212 0.000 . 1 . . . A 245 THR CB . 17542 1 96 . 1 1 14 14 THR N N 15 117.481 0.005 . 1 . . . A 245 THR N . 17542 1 97 . 1 1 15 15 VAL HA H 1 4.147 0.004 . 1 . . . A 246 VAL HA . 17542 1 98 . 1 1 15 15 VAL HB H 1 1.646 0.006 . 1 . . . A 246 VAL HB . 17542 1 99 . 1 1 15 15 VAL HG11 H 1 0.712 0.000 . 1 . . . A 246 VAL HG12 . 17542 1 100 . 1 1 15 15 VAL HG12 H 1 0.712 0.000 . 1 . . . A 246 VAL HG12 . 17542 1 101 . 1 1 15 15 VAL HG13 H 1 0.712 0.000 . 1 . . . A 246 VAL HG12 . 17542 1 102 . 1 1 15 15 VAL HG21 H 1 0.616 0.001 . 1 . . . A 246 VAL HG22 . 17542 1 103 . 1 1 15 15 VAL HG22 H 1 0.616 0.001 . 1 . . . A 246 VAL HG22 . 17542 1 104 . 1 1 15 15 VAL HG23 H 1 0.616 0.001 . 1 . . . A 246 VAL HG22 . 17542 1 105 . 1 1 15 15 VAL H H 1 7.465 0.000 . 1 . . . A 246 VAL HN . 17542 1 106 . 1 1 15 15 VAL CA C 13 60.293 0.000 . 1 . . . A 246 VAL CA . 17542 1 107 . 1 1 15 15 VAL CB C 13 30.106 0.006 . 1 . . . A 246 VAL CB . 17542 1 108 . 1 1 15 15 VAL N N 15 123.751 0.003 . 1 . . . A 246 VAL N . 17542 1 109 . 1 1 16 16 GLN HA H 1 4.161 0.004 . 1 . . . A 247 GLN HA . 17542 1 110 . 1 1 16 16 GLN HB2 H 1 1.365 0.002 . 2 . . . A 247 GLN HB2 . 17542 1 111 . 1 1 16 16 GLN HB3 H 1 0.837 0.001 . 2 . . . A 247 GLN HB3 . 17542 1 112 . 1 1 16 16 GLN HG2 H 1 2.142 0.002 . 1 . . . A 247 GLN HG2 . 17542 1 113 . 1 1 16 16 GLN HG3 H 1 1.988 0.009 . 1 . . . A 247 GLN HG3 . 17542 1 114 . 1 1 16 16 GLN HE21 H 1 7.420 0.093 . 2 . . . A 247 GLN HE21 . 17542 1 115 . 1 1 16 16 GLN HE22 H 1 6.697 0.003 . 2 . . . A 247 GLN HE22 . 17542 1 116 . 1 1 16 16 GLN H H 1 8.127 0.000 . 1 . . . A 247 GLN HN . 17542 1 117 . 1 1 16 16 GLN CA C 13 55.052 0.003 . 1 . . . A 247 GLN CA . 17542 1 118 . 1 1 16 16 GLN CB C 13 27.380 0.004 . 1 . . . A 247 GLN CB . 17542 1 119 . 1 1 16 16 GLN N N 15 129.811 0.001 . 1 . . . A 247 GLN N . 17542 1 120 . 1 1 17 17 GLY HA2 H 1 3.382 0.000 . 1 . . . A 248 GLY HA2 . 17542 1 121 . 1 1 17 17 GLY HA3 H 1 4.003 0.000 . 1 . . . A 248 GLY HA3 . 17542 1 122 . 1 1 17 17 GLY H H 1 7.927 0.002 . 1 . . . A 248 GLY HN . 17542 1 123 . 1 1 17 17 GLY CA C 13 42.474 0.005 . 1 . . . A 248 GLY CA . 17542 1 124 . 1 1 17 17 GLY N N 15 112.150 0.000 . 1 . . . A 248 GLY N . 17542 1 125 . 1 1 18 18 GLN HA H 1 4.310 0.000 . 1 . . . A 249 GLN HA . 17542 1 126 . 1 1 18 18 GLN HB2 H 1 1.997 0.000 . 1 . . . A 249 GLN HB2 . 17542 1 127 . 1 1 18 18 GLN HB3 H 1 1.374 0.000 . 1 . . . A 249 GLN HB3 . 17542 1 128 . 1 1 18 18 GLN HG2 H 1 2.156 0.000 . 1 . . . A 249 GLN HG2 . 17542 1 129 . 1 1 18 18 GLN HG3 H 1 2.006 0.000 . 1 . . . A 249 GLN HG3 . 17542 1 130 . 1 1 18 18 GLN HE21 H 1 7.342 0.004 . 1 . . . A 249 GLN HE21 . 17542 1 131 . 1 1 18 18 GLN HE22 H 1 6.464 0.009 . 2 . . . A 249 GLN HE22 . 17542 1 132 . 1 1 18 18 GLN H H 1 8.000 0.000 . 1 . . . A 249 GLN HN . 17542 1 133 . 1 1 18 18 GLN CA C 13 53.236 0.006 . 1 . . . A 249 GLN CA . 17542 1 134 . 1 1 18 18 GLN CB C 13 26.689 0.002 . 1 . . . A 249 GLN CB . 17542 1 135 . 1 1 18 18 GLN N N 15 120.524 0.000 . 1 . . . A 249 GLN N . 17542 1 136 . 1 1 19 19 VAL HA H 1 4.430 0.000 . 1 . . . A 250 VAL HA . 17542 1 137 . 1 1 19 19 VAL HB H 1 1.668 0.000 . 1 . . . A 250 VAL HB . 17542 1 138 . 1 1 19 19 VAL HG11 H 1 0.737 0.009 . 1 . . . A 250 VAL HG12 . 17542 1 139 . 1 1 19 19 VAL HG12 H 1 0.737 0.009 . 1 . . . A 250 VAL HG12 . 17542 1 140 . 1 1 19 19 VAL HG13 H 1 0.737 0.009 . 1 . . . A 250 VAL HG12 . 17542 1 141 . 1 1 19 19 VAL HG21 H 1 0.436 0.000 . 1 . . . A 250 VAL HG22 . 17542 1 142 . 1 1 19 19 VAL HG22 H 1 0.436 0.000 . 1 . . . A 250 VAL HG22 . 17542 1 143 . 1 1 19 19 VAL HG23 H 1 0.436 0.000 . 1 . . . A 250 VAL HG22 . 17542 1 144 . 1 1 19 19 VAL H H 1 8.509 0.031 . 1 . . . A 250 VAL HN . 17542 1 145 . 1 1 19 19 VAL CA C 13 60.363 0.002 . 1 . . . A 250 VAL CA . 17542 1 146 . 1 1 19 19 VAL CB C 13 31.743 0.000 . 1 . . . A 250 VAL CB . 17542 1 147 . 1 1 20 20 TYR HA H 1 4.438 0.003 . 1 . . . A 251 TYR HA . 17542 1 148 . 1 1 20 20 TYR HB2 H 1 2.324 0.004 . 1 . . . A 251 TYR HB2 . 17542 1 149 . 1 1 20 20 TYR HB3 H 1 2.176 0.003 . 2 . . . A 251 TYR HB3 . 17542 1 150 . 1 1 20 20 TYR HD2 H 1 6.518 0.501 . 1 . . . A 251 TYR HD2 . 17542 1 151 . 1 1 20 20 TYR HE2 H 1 6.128 0.004 . 1 . . . A 251 TYR HE2 . 17542 1 152 . 1 1 20 20 TYR H H 1 8.400 0.000 . 1 . . . A 251 TYR HN . 17542 1 153 . 1 1 20 20 TYR CA C 13 56.310 0.003 . 1 . . . A 251 TYR CA . 17542 1 154 . 1 1 20 20 TYR CB C 13 37.862 0.000 . 1 . . . A 251 TYR CB . 17542 1 155 . 1 1 20 20 TYR N N 15 122.046 0.000 . 1 . . . A 251 TYR N . 17542 1 156 . 1 1 21 21 PHE HA H 1 4.930 0.001 . 1 . . . A 252 PHE HA . 17542 1 157 . 1 1 21 21 PHE HB2 H 1 2.720 0.000 . 1 . . . A 252 PHE HB2 . 17542 1 158 . 1 1 21 21 PHE HB3 H 1 2.538 0.004 . 1 . . . A 252 PHE HB3 . 17542 1 159 . 1 1 21 21 PHE HD2 H 1 6.695 0.000 . 1 . . . A 252 PHE HD2 . 17542 1 160 . 1 1 21 21 PHE HE2 H 1 7.034 0.000 . 3 . . . A 252 PHE HE2 . 17542 1 161 . 1 1 21 21 PHE HZ H 1 6.990 0.002 . 1 . . . A 252 PHE HZ . 17542 1 162 . 1 1 21 21 PHE H H 1 8.597 0.007 . 1 . . . A 252 PHE HN . 17542 1 163 . 1 1 21 21 PHE CA C 13 54.913 0.001 . 1 . . . A 252 PHE CA . 17542 1 164 . 1 1 21 21 PHE CB C 13 36.644 0.000 . 1 . . . A 252 PHE CB . 17542 1 165 . 1 1 21 21 PHE N N 15 126.314 0.006 . 1 . . . A 252 PHE N . 17542 1 166 . 1 1 22 22 LEU HA H 1 4.752 0.000 . 1 . . . A 253 LEU HA . 17542 1 167 . 1 1 22 22 LEU HB2 H 1 1.339 0.000 . 1 . . . A 253 LEU HB2 . 17542 1 168 . 1 1 22 22 LEU HB3 H 1 0.957 0.000 . 1 . . . A 253 LEU HB3 . 17542 1 169 . 1 1 22 22 LEU HG H 1 0.889 0.000 . 1 . . . A 253 LEU HG . 17542 1 170 . 1 1 22 22 LEU HD11 H 1 0.551 0.000 . 1 . . . A 253 LEU HD12 . 17542 1 171 . 1 1 22 22 LEU HD12 H 1 0.551 0.000 . 1 . . . A 253 LEU HD12 . 17542 1 172 . 1 1 22 22 LEU HD13 H 1 0.551 0.000 . 1 . . . A 253 LEU HD12 . 17542 1 173 . 1 1 22 22 LEU HD21 H 1 0.514 0.000 . 1 . . . A 253 LEU HD22 . 17542 1 174 . 1 1 22 22 LEU HD22 H 1 0.514 0.000 . 1 . . . A 253 LEU HD22 . 17542 1 175 . 1 1 22 22 LEU HD23 H 1 0.514 0.000 . 1 . . . A 253 LEU HD22 . 17542 1 176 . 1 1 22 22 LEU H H 1 8.979 0.001 . 1 . . . A 253 LEU HN . 17542 1 177 . 1 1 23 23 HIS HA H 1 4.220 0.003 . 1 . . . A 254 HIS HA . 17542 1 178 . 1 1 23 23 HIS HB2 H 1 3.003 0.002 . 2 . . . A 254 HIS HB2 . 17542 1 179 . 1 1 23 23 HIS HB3 H 1 2.296 0.001 . 2 . . . A 254 HIS HB3 . 17542 1 180 . 1 1 23 23 HIS HD1 H 1 5.793 0.000 . 1 . . . A 254 HIS HD1 . 17542 1 181 . 1 1 23 23 HIS HE1 H 1 7.502 0.005 . 1 . . . A 254 HIS HE1 . 17542 1 182 . 1 1 23 23 HIS H H 1 8.653 0.004 . 1 . . . A 254 HIS HN . 17542 1 183 . 1 1 24 24 THR HA H 1 3.659 0.003 . 1 . . . A 255 THR HA . 17542 1 184 . 1 1 24 24 THR HB H 1 3.292 0.204 . 1 . . . A 255 THR HB . 17542 1 185 . 1 1 24 24 THR HG21 H 1 0.877 0.000 . 1 . . . A 255 THR HG22 . 17542 1 186 . 1 1 24 24 THR HG22 H 1 0.877 0.000 . 1 . . . A 255 THR HG22 . 17542 1 187 . 1 1 24 24 THR HG23 H 1 0.877 0.000 . 1 . . . A 255 THR HG22 . 17542 1 188 . 1 1 24 24 THR H H 1 7.833 0.001 . 1 . . . A 255 THR HN . 17542 1 189 . 1 1 24 24 THR CA C 13 58.896 0.000 . 1 . . . A 255 THR CA . 17542 1 190 . 1 1 24 24 THR CB C 13 67.158 0.003 . 1 . . . A 255 THR CB . 17542 1 191 . 1 1 25 25 GLN HA H 1 3.845 0.003 . 1 . . . A 256 GLN HA . 17542 1 192 . 1 1 25 25 GLN HB2 H 1 1.740 0.000 . 2 . . . A 256 GLN HB2 . 17542 1 193 . 1 1 25 25 GLN HG2 H 1 2.133 0.000 . 1 . . . A 256 GLN HG2 . 17542 1 194 . 1 1 25 25 GLN HG3 H 1 2.074 0.000 . 1 . . . A 256 GLN HG3 . 17542 1 195 . 1 1 25 25 GLN HE21 H 1 7.350 0.000 . 2 . . . A 256 GLN HE21 . 17542 1 196 . 1 1 25 25 GLN HE22 H 1 6.687 0.000 . 2 . . . A 256 GLN HE22 . 17542 1 197 . 1 1 25 25 GLN H H 1 8.686 0.000 . 1 . . . A 256 GLN HN . 17542 1 198 . 1 1 25 25 GLN CA C 13 55.775 0.001 . 1 . . . A 256 GLN CA . 17542 1 199 . 1 1 25 25 GLN CB C 13 27.310 0.000 . 1 . . . A 256 GLN CB . 17542 1 200 . 1 1 25 25 GLN N N 15 127.858 0.004 . 1 . . . A 256 GLN N . 17542 1 201 . 1 1 26 26 THR HA H 1 4.231 0.002 . 1 . . . A 257 THR HA . 17542 1 202 . 1 1 26 26 THR HB H 1 4.105 0.523 . 1 . . . A 257 THR HB . 17542 1 203 . 1 1 26 26 THR HG21 H 1 1.032 0.001 . 1 . . . A 257 THR HG22 . 17542 1 204 . 1 1 26 26 THR HG22 H 1 1.032 0.001 . 1 . . . A 257 THR HG22 . 17542 1 205 . 1 1 26 26 THR HG23 H 1 1.032 0.001 . 1 . . . A 257 THR HG22 . 17542 1 206 . 1 1 26 26 THR H H 1 7.402 0.000 . 1 . . . A 257 THR HN . 17542 1 207 . 1 1 26 26 THR CA C 13 59.665 0.006 . 1 . . . A 257 THR CA . 17542 1 208 . 1 1 26 26 THR CB C 13 67.237 0.004 . 1 . . . A 257 THR CB . 17542 1 209 . 1 1 27 27 GLY HA2 H 1 3.435 0.005 . 2 . . . A 258 GLY HA2 . 17542 1 210 . 1 1 27 27 GLY HA3 H 1 3.888 0.000 . 2 . . . A 258 GLY HA3 . 17542 1 211 . 1 1 27 27 GLY H H 1 8.360 0.000 . 1 . . . A 258 GLY HN . 17542 1 212 . 1 1 27 27 GLY CA C 13 43.103 0.003 . 1 . . . A 258 GLY CA . 17542 1 213 . 1 1 27 27 GLY N N 15 111.884 0.000 . 1 . . . A 258 GLY N . 17542 1 214 . 1 1 28 28 VAL HA H 1 3.839 0.000 . 1 . . . A 259 VAL HA . 17542 1 215 . 1 1 28 28 VAL HB H 1 1.730 0.004 . 1 . . . A 259 VAL HB . 17542 1 216 . 1 1 28 28 VAL HG11 H 1 0.751 0.000 . 1 . . . A 259 VAL HG12 . 17542 1 217 . 1 1 28 28 VAL HG12 H 1 0.751 0.000 . 1 . . . A 259 VAL HG12 . 17542 1 218 . 1 1 28 28 VAL HG13 H 1 0.751 0.000 . 1 . . . A 259 VAL HG12 . 17542 1 219 . 1 1 28 28 VAL HG21 H 1 0.732 0.000 . 1 . . . A 259 VAL HG22 . 17542 1 220 . 1 1 28 28 VAL HG22 H 1 0.732 0.000 . 1 . . . A 259 VAL HG22 . 17542 1 221 . 1 1 28 28 VAL HG23 H 1 0.732 0.000 . 1 . . . A 259 VAL HG22 . 17542 1 222 . 1 1 28 28 VAL H H 1 7.260 0.015 . 1 . . . A 259 VAL HN . 17542 1 223 . 1 1 28 28 VAL CA C 13 59.944 0.000 . 1 . . . A 259 VAL CA . 17542 1 224 . 1 1 28 28 VAL CB C 13 30.320 0.000 . 1 . . . A 259 VAL CB . 17542 1 225 . 1 1 29 29 SER HA H 1 5.483 0.007 . 1 . . . A 260 SER HA . 17542 1 226 . 1 1 29 29 SER HB2 H 1 3.450 0.001 . 2 . . . A 260 SER HB2 . 17542 1 227 . 1 1 29 29 SER HB3 H 1 3.369 0.000 . 2 . . . A 260 SER HB3 . 17542 1 228 . 1 1 29 29 SER H H 1 8.194 0.005 . 1 . . . A 260 SER HN . 17542 1 229 . 1 1 29 29 SER CA C 13 57.435 0.000 . 1 . . . A 260 SER CA . 17542 1 230 . 1 1 29 29 SER CB C 13 62.336 0.002 . 1 . . . A 260 SER CB . 17542 1 231 . 1 1 29 29 SER N N 15 125.199 0.000 . 1 . . . A 260 SER N . 17542 1 232 . 1 1 30 30 THR HA H 1 4.511 0.000 . 1 . . . A 261 THR HA . 17542 1 233 . 1 1 30 30 THR HB H 1 4.037 0.000 . 1 . . . A 261 THR HB . 17542 1 234 . 1 1 30 30 THR HG21 H 1 1.153 0.000 . 1 . . . A 261 THR HG22 . 17542 1 235 . 1 1 30 30 THR HG22 H 1 1.153 0.000 . 1 . . . A 261 THR HG22 . 17542 1 236 . 1 1 30 30 THR HG23 H 1 1.153 0.000 . 1 . . . A 261 THR HG22 . 17542 1 237 . 1 1 30 30 THR H H 1 9.035 0.000 . 1 . . . A 261 THR HN . 17542 1 238 . 1 1 30 30 THR CA C 13 59.144 0.000 . 1 . . . A 261 THR CA . 17542 1 239 . 1 1 30 30 THR CB C 13 67.315 0.000 . 1 . . . A 261 THR CB . 17542 1 240 . 1 1 31 31 TRP HA H 1 4.739 0.000 . 1 . . . A 262 TRP HA . 17542 1 241 . 1 1 31 31 TRP HB2 H 1 3.315 0.000 . 2 . . . A 262 TRP HB2 . 17542 1 242 . 1 1 31 31 TRP HB3 H 1 2.699 0.000 . 2 . . . A 262 TRP HB3 . 17542 1 243 . 1 1 31 31 TRP HD1 H 1 7.084 0.000 . 1 . . . A 262 TRP HD1 . 17542 1 244 . 1 1 31 31 TRP HE1 H 1 9.949 0.000 . 1 . . . A 262 TRP HE1 . 17542 1 245 . 1 1 31 31 TRP HE3 H 1 7.796 0.000 . 1 . . . A 262 TRP HE3 . 17542 1 246 . 1 1 31 31 TRP HZ2 H 1 7.100 0.002 . 1 . . . A 262 TRP HZ2 . 17542 1 247 . 1 1 31 31 TRP HZ3 H 1 6.632 0.002 . 1 . . . A 262 TRP HZ3 . 17542 1 248 . 1 1 31 31 TRP HH2 H 1 6.775 0.002 . 1 . . . A 262 TRP HH2 . 17542 1 249 . 1 1 31 31 TRP H H 1 8.506 0.002 . 1 . . . A 262 TRP HN . 17542 1 250 . 1 1 31 31 TRP CA C 13 60.992 0.000 . 1 . . . A 262 TRP CA . 17542 1 251 . 1 1 31 31 TRP CB C 13 30.502 0.000 . 1 . . . A 262 TRP CB . 17542 1 252 . 1 1 31 31 TRP N N 15 127.007 0.004 . 1 . . . A 262 TRP N . 17542 1 253 . 1 1 32 32 HIS HA H 1 4.430 0.002 . 1 . . . A 263 HIS HA . 17542 1 254 . 1 1 32 32 HIS HB2 H 1 2.794 0.001 . 1 . . . A 263 HIS HB2 . 17542 1 255 . 1 1 32 32 HIS HB3 H 1 2.715 0.005 . 2 . . . A 263 HIS HB3 . 17542 1 256 . 1 1 32 32 HIS HD1 H 1 7.097 0.003 . 1 . . . A 263 HIS HD1 . 17542 1 257 . 1 1 32 32 HIS HD2 H 1 7.090 0.002 . 1 . . . A 263 HIS HD2 . 17542 1 258 . 1 1 32 32 HIS HE1 H 1 7.799 0.001 . 1 . . . A 263 HIS HE1 . 17542 1 259 . 1 1 32 32 HIS H H 1 8.020 0.000 . 1 . . . A 263 HIS HN . 17542 1 260 . 1 1 32 32 HIS CA C 13 53.008 0.003 . 1 . . . A 263 HIS CA . 17542 1 261 . 1 1 32 32 HIS CB C 13 28.423 0.000 . 1 . . . A 263 HIS CB . 17542 1 262 . 1 1 33 33 ASP HA H 1 2.373 0.002 . 1 . . . A 264 ASP HA . 17542 1 263 . 1 1 33 33 ASP HB2 H 1 2.982 0.010 . 2 . . . A 264 ASP HB2 . 17542 1 264 . 1 1 33 33 ASP HB3 H 1 2.661 0.001 . 2 . . . A 264 ASP HB3 . 17542 1 265 . 1 1 33 33 ASP H H 1 8.139 0.003 . 1 . . . A 264 ASP HN . 17542 1 266 . 1 1 33 33 ASP CA C 13 49.134 0.007 . 1 . . . A 264 ASP CA . 17542 1 267 . 1 1 33 33 ASP CB C 13 38.771 0.074 . 1 . . . A 264 ASP CB . 17542 1 268 . 1 1 33 33 ASP N N 15 124.774 0.000 . 1 . . . A 264 ASP N . 17542 1 269 . 1 1 34 34 PRO HA H 1 4.000 0.000 . 1 . . . A 265 PRO HA . 17542 1 270 . 1 1 34 34 PRO HB2 H 1 0.909 0.000 . 2 . . . A 265 PRO HB2 . 17542 1 271 . 1 1 34 34 PRO HB3 H 1 0.727 0.001 . 2 . . . A 265 PRO HB3 . 17542 1 272 . 1 1 34 34 PRO HG2 H 1 1.820 0.001 . 2 . . . A 265 PRO HG2 . 17542 1 273 . 1 1 34 34 PRO HG3 H 1 1.160 0.000 . 2 . . . A 265 PRO HG3 . 17542 1 274 . 1 1 34 34 PRO HD2 H 1 2.096 0.005 . 2 . . . A 265 PRO HD2 . 17542 1 275 . 1 1 34 34 PRO HD3 H 1 2.013 0.006 . 2 . . . A 265 PRO HD3 . 17542 1 276 . 1 1 35 35 ARG HA H 1 3.737 0.001 . 1 . . . A 266 ARG HA . 17542 1 277 . 1 1 35 35 ARG HB2 H 1 1.623 0.003 . 1 . . . A 266 ARG HB2 . 17542 1 278 . 1 1 35 35 ARG HB3 H 1 1.543 0.003 . 1 . . . A 266 ARG HB3 . 17542 1 279 . 1 1 35 35 ARG HG2 H 1 1.384 0.004 . 1 . . . A 266 ARG HG2 . 17542 1 280 . 1 1 35 35 ARG HG3 H 1 1.033 0.002 . 1 . . . A 266 ARG HG3 . 17542 1 281 . 1 1 35 35 ARG HD2 H 1 2.869 0.006 . 1 . . . A 266 ARG HD2 . 17542 1 282 . 1 1 35 35 ARG HD3 H 1 2.775 0.000 . 1 . . . A 266 ARG HD3 . 17542 1 283 . 1 1 35 35 ARG HE H 1 8.148 0.000 . 1 . . . A 266 ARG HE . 17542 1 284 . 1 1 35 35 ARG H H 1 7.468 0.000 . 1 . . . A 266 ARG HN . 17542 1 285 . 1 1 36 36 ILE HA H 1 4.151 0.003 . 1 . . . A 267 ILE HA . 17542 1 286 . 1 1 36 36 ILE HB H 1 1.652 0.002 . 1 . . . A 267 ILE HB . 17542 1 287 . 1 1 36 36 ILE HG12 H 1 1.373 0.000 . 1 . . . A 267 ILE HG12 . 17542 1 288 . 1 1 36 36 ILE HG13 H 1 1.151 0.000 . 1 . . . A 267 ILE HG13 . 17542 1 289 . 1 1 36 36 ILE HG21 H 1 0.821 0.000 . 1 . . . A 267 ILE HG22 . 17542 1 290 . 1 1 36 36 ILE HG22 H 1 0.821 0.000 . 1 . . . A 267 ILE HG22 . 17542 1 291 . 1 1 36 36 ILE HG23 H 1 0.821 0.000 . 1 . . . A 267 ILE HG22 . 17542 1 292 . 1 1 36 36 ILE HD11 H 1 0.611 0.032 . 1 . . . A 267 ILE HD12 . 17542 1 293 . 1 1 36 36 ILE HD12 H 1 0.611 0.032 . 1 . . . A 267 ILE HD12 . 17542 1 294 . 1 1 36 36 ILE HD13 H 1 0.611 0.032 . 1 . . . A 267 ILE HD12 . 17542 1 295 . 1 1 36 36 ILE H H 1 8.128 0.005 . 1 . . . A 267 ILE HN . 17542 1 stop_ save_