################################### # 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 15753 _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' . . . 15753 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 LYS HA H 1 4.311 0.0 . . . . . . 383 LYS HA . 15753 1 2 . 1 1 2 2 LYS HB2 H 1 1.757387 0.0 . . . . . . 383 LYS HB1 . 15753 1 3 . 1 1 2 2 LYS HB3 H 1 1.661 0.0 . . . . . . 383 LYS HB2 . 15753 1 4 . 1 1 2 2 LYS HD2 H 1 1.590968 0.0 . . . . . . 383 LYS QD . 15753 1 5 . 1 1 2 2 LYS HD3 H 1 1.590968 0.0 . . . . . . 383 LYS QD . 15753 1 6 . 1 1 2 2 LYS HE2 H 1 2.909 0.0 . . . . . . 383 LYS QE . 15753 1 7 . 1 1 2 2 LYS HE3 H 1 2.909 0.0 . . . . . . 383 LYS QE . 15753 1 8 . 1 1 2 2 LYS HG2 H 1 1.362 0.0 . . . . . . 383 LYS QG . 15753 1 9 . 1 1 2 2 LYS HG3 H 1 1.362 0.0 . . . . . . 383 LYS QG . 15753 1 10 . 1 1 3 3 SER H H 1 8.487 0.0 . . . . . . 384 SER H . 15753 1 11 . 1 1 3 3 SER HA H 1 4.723366 0.0 . . . . . . 384 SER HA . 15753 1 12 . 1 1 4 4 PRO HA H 1 4.165 0.0 . . . . . . 385 PRO HA . 15753 1 13 . 1 1 4 4 PRO HB2 H 1 1.935 0.0 . . . . . . 385 PRO HB1 . 15753 1 14 . 1 1 4 4 PRO HB3 H 1 1.207 0.0 . . . . . . 385 PRO HB2 . 15753 1 15 . 1 1 4 4 PRO HD2 H 1 3.61 0.0 . . . . . . 385 PRO HD1 . 15753 1 16 . 1 1 4 4 PRO HD3 H 1 3.556 0.0 . . . . . . 385 PRO HD2 . 15753 1 17 . 1 1 4 4 PRO HG2 H 1 1.633 0.0 . . . . . . 385 PRO HG1 . 15753 1 18 . 1 1 4 4 PRO HG3 H 1 1.535 0.0 . . . . . . 385 PRO HG2 . 15753 1 19 . 1 1 5 5 GLU H H 1 8.077374 0.0 . . . . . . 386 GLU H . 15753 1 20 . 1 1 5 5 GLU HA H 1 3.987 0.0 . . . . . . 386 GLU HA . 15753 1 21 . 1 1 5 5 GLU HB2 H 1 1.917522 0.0 . . . . . . 386 GLU HB1 . 15753 1 22 . 1 1 5 5 GLU HB3 H 1 1.814499 0.0 . . . . . . 386 GLU HB2 . 15753 1 23 . 1 1 5 5 GLU HG2 H 1 2.29 0.0 . . . . . . 386 GLU HG1 . 15753 1 24 . 1 1 5 5 GLU HG3 H 1 2.155542 0.0 . . . . . . 386 GLU HG2 . 15753 1 25 . 1 1 6 6 ALA H H 1 7.642 0.0 . . . . . . 387 ALA H . 15753 1 26 . 1 1 6 6 ALA HA H 1 3.988 0.0 . . . . . . 387 ALA HA . 15753 1 27 . 1 1 6 6 ALA HB1 H 1 1.382 0.0 . . . . . . 387 ALA HB . 15753 1 28 . 1 1 6 6 ALA HB2 H 1 1.382 0.0 . . . . . . 387 ALA HB . 15753 1 29 . 1 1 6 6 ALA HB3 H 1 1.382 0.0 . . . . . . 387 ALA HB . 15753 1 30 . 1 1 7 7 GLU H H 1 8.004 0.0 . . . . . . 388 GLU H . 15753 1 31 . 1 1 7 7 GLU HA H 1 4.091 0.0 . . . . . . 388 GLU HA . 15753 1 32 . 1 1 7 7 GLU HB2 H 1 2.018825 0.0 . . . . . . 388 GLU QB . 15753 1 33 . 1 1 7 7 GLU HB3 H 1 2.018825 0.0 . . . . . . 388 GLU QB . 15753 1 34 . 1 1 7 7 GLU HG2 H 1 2.228983 0.0 . . . . . . 388 GLU QG . 15753 1 35 . 1 1 7 7 GLU HG3 H 1 2.228983 0.0 . . . . . . 388 GLU QG . 15753 1 36 . 1 1 8 8 CYS H H 1 7.809 0.0 . . . . . . 389 CYS H . 15753 1 37 . 1 1 8 8 CYS HA H 1 4.357 0.0 . . . . . . 389 CYS HA . 15753 1 38 . 1 1 8 8 CYS HB2 H 1 2.773 0.0 . . . . . . 389 CYS HB1 . 15753 1 39 . 1 1 8 8 CYS HB3 H 1 2.386 0.0 . . . . . . 389 CYS HB2 . 15753 1 40 . 1 1 9 9 ASN H H 1 8.314 0.0 . . . . . . 390 ASN H . 15753 1 41 . 1 1 9 9 ASN HA H 1 4.618 0.0 . . . . . . 390 ASN HA . 15753 1 42 . 1 1 9 9 ASN HB2 H 1 2.803 0.0 . . . . . . 390 ASN HB1 . 15753 1 43 . 1 1 9 9 ASN HB3 H 1 2.672 0.0 . . . . . . 390 ASN HB2 . 15753 1 44 . 1 1 9 9 ASN HD21 H 1 7.639 0.0 . . . . . . 390 ASN HD21 . 15753 1 45 . 1 1 9 9 ASN HD22 H 1 8.099 0.0 . . . . . . 390 ASN HD22 . 15753 1 46 . 1 1 10 10 LYS H H 1 7.248 0.0 . . . . . . 391 LYS H . 15753 1 47 . 1 1 10 10 LYS HA H 1 4.11 0.0 . . . . . . 391 LYS HA . 15753 1 48 . 1 1 10 10 LYS HB2 H 1 1.935 0.0 . . . . . . 391 LYS HB1 . 15753 1 49 . 1 1 10 10 LYS HB3 H 1 1.857 0.0 . . . . . . 391 LYS HB2 . 15753 1 50 . 1 1 10 10 LYS HD2 H 1 1.655 0.0 . . . . . . 391 LYS QD . 15753 1 51 . 1 1 10 10 LYS HD3 H 1 1.655 0.0 . . . . . . 391 LYS QD . 15753 1 52 . 1 1 10 10 LYS HE2 H 1 2.883633 0.0 . . . . . . 391 LYS QE . 15753 1 53 . 1 1 10 10 LYS HE3 H 1 2.883633 0.0 . . . . . . 391 LYS QE . 15753 1 54 . 1 1 10 10 LYS HG2 H 1 1.538 0.0 . . . . . . 391 LYS HG1 . 15753 1 55 . 1 1 10 10 LYS HG3 H 1 1.484 0.0 . . . . . . 391 LYS HG2 . 15753 1 56 . 1 1 11 11 ILE H H 1 7.776 0.0 . . . . . . 392 ILE H . 15753 1 57 . 1 1 11 11 ILE HA H 1 4.045 0.0 . . . . . . 392 ILE HA . 15753 1 58 . 1 1 11 11 ILE HB H 1 2.518 0.0 . . . . . . 392 ILE HB . 15753 1 59 . 1 1 11 11 ILE HD11 H 1 1.841 0.0 . . . . . . 392 ILE HD1 . 15753 1 60 . 1 1 11 11 ILE HD12 H 1 1.841 0.0 . . . . . . 392 ILE HD1 . 15753 1 61 . 1 1 11 11 ILE HD13 H 1 1.841 0.0 . . . . . . 392 ILE HD1 . 15753 1 62 . 1 1 11 11 ILE HG12 H 1 1.034 0.0 . . . . . . 392 ILE HG11 . 15753 1 63 . 1 1 11 11 ILE HG13 H 1 0.932 0.0 . . . . . . 392 ILE HG12 . 15753 1 64 . 1 1 11 11 ILE HG21 H 1 0.999 0.0 . . . . . . 392 ILE HG2 . 15753 1 65 . 1 1 11 11 ILE HG22 H 1 0.999 0.0 . . . . . . 392 ILE HG2 . 15753 1 66 . 1 1 11 11 ILE HG23 H 1 0.999 0.0 . . . . . . 392 ILE HG2 . 15753 1 67 . 1 1 12 12 THR H H 1 8.578 0.0 . . . . . . 393 THR H . 15753 1 68 . 1 1 12 12 THR HA H 1 4.655 0.0 . . . . . . 393 THR HA . 15753 1 69 . 1 1 12 12 THR HB H 1 4.690211 0.0 . . . . . . 393 THR HB . 15753 1 70 . 1 1 12 12 THR HG21 H 1 1.219 0.0 . . . . . . 393 THR HG2 . 15753 1 71 . 1 1 12 12 THR HG22 H 1 1.219 0.0 . . . . . . 393 THR HG2 . 15753 1 72 . 1 1 12 12 THR HG23 H 1 1.219 0.0 . . . . . . 393 THR HG2 . 15753 1 73 . 1 1 13 13 GLU H H 1 7.056443 0.0 . . . . . . 394 GLU H . 15753 1 74 . 1 1 13 13 GLU HA H 1 4.494 0.0 . . . . . . 394 GLU HA . 15753 1 75 . 1 1 13 13 GLU HB2 H 1 1.939034 0.0 . . . . . . 394 GLU HB1 . 15753 1 76 . 1 1 13 13 GLU HB3 H 1 1.743 0.0 . . . . . . 394 GLU HB2 . 15753 1 77 . 1 1 13 13 GLU HG2 H 1 2.16 0.0 . . . . . . 394 GLU QG . 15753 1 78 . 1 1 13 13 GLU HG3 H 1 2.16 0.0 . . . . . . 394 GLU QG . 15753 1 79 . 1 1 14 14 GLU H H 1 8.237 0.0 . . . . . . 395 GLU H . 15753 1 80 . 1 1 14 14 GLU HA H 1 2.582 0.0 . . . . . . 395 GLU HA . 15753 1 81 . 1 1 14 14 GLU HB2 H 1 1.333 0.0 . . . . . . 395 GLU HB1 . 15753 1 82 . 1 1 14 14 GLU HB3 H 1 -0.269 0.0 . . . . . . 395 GLU HB2 . 15753 1 83 . 1 1 14 14 GLU HG2 H 1 1.274 0.0 . . . . . . 395 GLU QG . 15753 1 84 . 1 1 14 14 GLU HG3 H 1 1.274 0.0 . . . . . . 395 GLU QG . 15753 1 85 . 1 1 15 15 PRO HA H 1 3.987 0.0 . . . . . . 396 PRO HA . 15753 1 86 . 1 1 15 15 PRO HB2 H 1 2.141 0.0 . . . . . . 396 PRO HB1 . 15753 1 87 . 1 1 15 15 PRO HB3 H 1 1.699 0.0 . . . . . . 396 PRO HB2 . 15753 1 88 . 1 1 15 15 PRO HD2 H 1 3.437 0.0 . . . . . . 396 PRO HD1 . 15753 1 89 . 1 1 15 15 PRO HD3 H 1 3.386 0.0 . . . . . . 396 PRO HD2 . 15753 1 90 . 1 1 15 15 PRO HG2 H 1 1.866 0.0 . . . . . . 396 PRO HG1 . 15753 1 91 . 1 1 15 15 PRO HG3 H 1 1.784 0.0 . . . . . . 396 PRO HG2 . 15753 1 92 . 1 1 16 16 LYS H H 1 6.354903 0.0 . . . . . . 397 LYS H . 15753 1 93 . 1 1 16 16 LYS HA H 1 4.02 0.0 . . . . . . 397 LYS HA . 15753 1 94 . 1 1 16 16 LYS HB2 H 1 1.745 0.0 . . . . . . 397 LYS HB2 . 15753 1 95 . 1 1 16 16 LYS HD2 H 1 1.636394 0.0 . . . . . . 397 LYS QD . 15753 1 96 . 1 1 16 16 LYS HD3 H 1 1.636394 0.0 . . . . . . 397 LYS QD . 15753 1 97 . 1 1 16 16 LYS HE2 H 1 2.914 0.0 . . . . . . 397 LYS QE . 15753 1 98 . 1 1 16 16 LYS HE3 H 1 2.914 0.0 . . . . . . 397 LYS QE . 15753 1 99 . 1 1 16 16 LYS HG2 H 1 1.455 0.0 . . . . . . 397 LYS HG1 . 15753 1 100 . 1 1 16 16 LYS HG3 H 1 1.377 0.0 . . . . . . 397 LYS HG2 . 15753 1 101 . 1 1 17 17 CYS H H 1 7.834466 0.0 . . . . . . 398 CYS H . 15753 1 102 . 1 1 17 17 CYS HA H 1 4.106006 0.0 . . . . . . 398 CYS HA . 15753 1 103 . 1 1 17 17 CYS HB2 H 1 3.463 0.0 . . . . . . 398 CYS HB1 . 15753 1 104 . 1 1 17 17 CYS HB3 H 1 2.993 0.0 . . . . . . 398 CYS HB2 . 15753 1 105 . 1 1 18 18 SER H H 1 8.361 0.0 . . . . . . 399 SER H . 15753 1 106 . 1 1 18 18 SER HA H 1 4.09 0.0 . . . . . . 399 SER HA . 15753 1 107 . 1 1 18 18 SER HB2 H 1 3.837978 0.0 . . . . . . 399 SER QB . 15753 1 108 . 1 1 18 18 SER HB3 H 1 3.837978 0.0 . . . . . . 399 SER QB . 15753 1 109 . 1 1 19 19 GLU H H 1 7.37 0.0 . . . . . . 400 GLU H . 15753 1 110 . 1 1 19 19 GLU HA H 1 4.016 0.0 . . . . . . 400 GLU HA . 15753 1 111 . 1 1 19 19 GLU HB2 H 1 2.022 0.0 . . . . . . 400 GLU QB . 15753 1 112 . 1 1 19 19 GLU HB3 H 1 2.022 0.0 . . . . . . 400 GLU QB . 15753 1 113 . 1 1 19 19 GLU HG2 H 1 2.339 0.0 . . . . . . 400 GLU HG1 . 15753 1 114 . 1 1 19 19 GLU HG3 H 1 2.272 0.0 . . . . . . 400 GLU HG2 . 15753 1 115 . 1 1 20 20 GLU H H 1 7.303 0.0 . . . . . . 401 GLU H . 15753 1 116 . 1 1 20 20 GLU HA H 1 4.25 0.0 . . . . . . 401 GLU HA . 15753 1 117 . 1 1 20 20 GLU HB2 H 1 2.044 0.0 . . . . . . 401 GLU HB1 . 15753 1 118 . 1 1 20 20 GLU HB3 H 1 1.985 0.0 . . . . . . 401 GLU HB2 . 15753 1 119 . 1 1 20 20 GLU HG2 H 1 2.436 0.0 . . . . . . 401 GLU HG1 . 15753 1 120 . 1 1 20 20 GLU HG3 H 1 2.237 0.0 . . . . . . 401 GLU HG2 . 15753 1 121 . 1 1 21 21 LYS H H 1 8.526 0.0 . . . . . . 402 LYS H . 15753 1 122 . 1 1 21 21 LYS HA H 1 4.086 0.0 . . . . . . 402 LYS HA . 15753 1 123 . 1 1 21 21 LYS HB2 H 1 1.897 0.0 . . . . . . 402 LYS QB . 15753 1 124 . 1 1 21 21 LYS HB3 H 1 1.897 0.0 . . . . . . 402 LYS QB . 15753 1 125 . 1 1 21 21 LYS HD2 H 1 1.698 0.0 . . . . . . 402 LYS QD . 15753 1 126 . 1 1 21 21 LYS HD3 H 1 1.698 0.0 . . . . . . 402 LYS QD . 15753 1 127 . 1 1 21 21 LYS HE2 H 1 3.008 0.0 . . . . . . 402 LYS QE . 15753 1 128 . 1 1 21 21 LYS HE3 H 1 3.008 0.0 . . . . . . 402 LYS QE . 15753 1 129 . 1 1 21 21 LYS HG2 H 1 1.56 0.0 . . . . . . 402 LYS HG1 . 15753 1 130 . 1 1 21 21 LYS HG3 H 1 1.503 0.0 . . . . . . 402 LYS HG2 . 15753 1 131 . 1 1 22 22 ILE H H 1 7.324 0.0 . . . . . . 403 ILE H . 15753 1 132 . 1 1 22 22 ILE HA H 1 4.558 0.0 . . . . . . 403 ILE HA . 15753 1 133 . 1 1 22 22 ILE HB H 1 2.463 0.0 . . . . . . 403 ILE HB . 15753 1 134 . 1 1 22 22 ILE HD11 H 1 1.564 0.0 . . . . . . 403 ILE HD1 . 15753 1 135 . 1 1 22 22 ILE HD12 H 1 1.564 0.0 . . . . . . 403 ILE HD1 . 15753 1 136 . 1 1 22 22 ILE HD13 H 1 1.564 0.0 . . . . . . 403 ILE HD1 . 15753 1 137 . 1 1 22 22 ILE HG21 H 1 1.323 0.0 . . . . . . 403 ILE HG2 . 15753 1 138 . 1 1 22 22 ILE HG22 H 1 1.323 0.0 . . . . . . 403 ILE HG2 . 15753 1 139 . 1 1 22 22 ILE HG23 H 1 1.323 0.0 . . . . . . 403 ILE HG2 . 15753 1 140 . 1 1 23 23 CYS H H 1 7.211 0.0 . . . . . . 404 CYS H . 15753 1 141 . 1 1 23 23 CYS HA H 1 5.728 0.0 . . . . . . 404 CYS HA . 15753 1 142 . 1 1 23 23 CYS HB2 H 1 3.359 0.0 . . . . . . 404 CYS HB1 . 15753 1 143 . 1 1 23 23 CYS HB3 H 1 2.946 0.0 . . . . . . 404 CYS HB2 . 15753 1 144 . 1 1 24 24 SER H H 1 9.201 0.0 . . . . . . 405 SER H . 15753 1 145 . 1 1 24 24 SER HA H 1 4.628 0.0 . . . . . . 405 SER HA . 15753 1 146 . 1 1 24 24 SER HB2 H 1 3.745 0.0 . . . . . . 405 SER HB1 . 15753 1 147 . 1 1 24 24 SER HB3 H 1 3.686 0.0 . . . . . . 405 SER HB2 . 15753 1 148 . 1 1 25 25 TRP H H 1 9.257 0.0 . . . . . . 406 TRP H . 15753 1 149 . 1 1 25 25 TRP HA H 1 4.971 0.0 . . . . . . 406 TRP HA . 15753 1 150 . 1 1 25 25 TRP HB2 H 1 3.16 0.0 . . . . . . 406 TRP HB1 . 15753 1 151 . 1 1 25 25 TRP HB3 H 1 2.708 0.0 . . . . . . 406 TRP HB2 . 15753 1 152 . 1 1 25 25 TRP HD1 H 1 6.817 0.0 . . . . . . 406 TRP HD1 . 15753 1 153 . 1 1 25 25 TRP HE1 H 1 10.345 0.0 . . . . . . 406 TRP HE1 . 15753 1 154 . 1 1 25 25 TRP HE3 H 1 7.444 0.0 . . . . . . 406 TRP HE3 . 15753 1 155 . 1 1 25 25 TRP HH2 H 1 6.700042 0.0 . . . . . . 406 TRP HH2 . 15753 1 156 . 1 1 25 25 TRP HZ2 H 1 7.419 0.0 . . . . . . 406 TRP HZ2 . 15753 1 157 . 1 1 25 25 TRP HZ3 H 1 7.051789 0.0 . . . . . . 406 TRP HZ3 . 15753 1 158 . 1 1 26 26 HIS H H 1 8.951 0.0 . . . . . . 407 HIS H . 15753 1 159 . 1 1 26 26 HIS HA H 1 4.456 0.0 . . . . . . 407 HIS HA . 15753 1 160 . 1 1 26 26 HIS HB2 H 1 2.837 0.0 . . . . . . 407 HIS HB1 . 15753 1 161 . 1 1 26 26 HIS HB3 H 1 2.742 0.0 . . . . . . 407 HIS HB2 . 15753 1 162 . 1 1 26 26 HIS HD2 H 1 7.415 0.0 . . . . . . 407 HIS HD2 . 15753 1 163 . 1 1 26 26 HIS HE1 H 1 6.611 0.0 . . . . . . 407 HIS HE1 . 15753 1 164 . 1 1 27 27 LYS H H 1 8.673 0.0 . . . . . . 408 LYS H . 15753 1 165 . 1 1 27 27 LYS HA H 1 3.916 0.0 . . . . . . 408 LYS HA . 15753 1 166 . 1 1 27 27 LYS HB2 H 1 1.883 0.0 . . . . . . 408 LYS QB . 15753 1 167 . 1 1 27 27 LYS HB3 H 1 1.883 0.0 . . . . . . 408 LYS QB . 15753 1 168 . 1 1 27 27 LYS HD2 H 1 1.758 0.0 . . . . . . 408 LYS QD . 15753 1 169 . 1 1 27 27 LYS HD3 H 1 1.758 0.0 . . . . . . 408 LYS QD . 15753 1 170 . 1 1 27 27 LYS HE2 H 1 3.045 0.0 . . . . . . 408 LYS QE . 15753 1 171 . 1 1 27 27 LYS HE3 H 1 3.045 0.0 . . . . . . 408 LYS QE . 15753 1 172 . 1 1 27 27 LYS HG2 H 1 1.619 0.0 . . . . . . 408 LYS HG1 . 15753 1 173 . 1 1 27 27 LYS HG3 H 1 1.543 0.0 . . . . . . 408 LYS HG2 . 15753 1 174 . 1 1 28 28 GLU H H 1 8.116 0.0 . . . . . . 409 GLU H . 15753 1 175 . 1 1 28 28 GLU HA H 1 4.506 0.0 . . . . . . 409 GLU HA . 15753 1 176 . 1 1 28 28 GLU HB2 H 1 1.881 0.0 . . . . . . 409 GLU HB1 . 15753 1 177 . 1 1 28 28 GLU HB3 H 1 1.838 0.0 . . . . . . 409 GLU HB2 . 15753 1 178 . 1 1 28 28 GLU HG2 H 1 2.110892 0.0 . . . . . . 409 GLU QG . 15753 1 179 . 1 1 28 28 GLU HG3 H 1 2.110892 0.0 . . . . . . 409 GLU QG . 15753 1 180 . 1 1 29 29 VAL H H 1 7.897 0.0 . . . . . . 410 VAL H . 15753 1 181 . 1 1 29 29 VAL HA H 1 4.415 0.0 . . . . . . 410 VAL HA . 15753 1 182 . 1 1 29 29 VAL HB H 1 2.109 0.0 . . . . . . 410 VAL HB . 15753 1 183 . 1 1 29 29 VAL HG11 H 1 0.427 0.0 . . . . . . 410 VAL QG . 15753 1 184 . 1 1 29 29 VAL HG12 H 1 0.427 0.0 . . . . . . 410 VAL QG . 15753 1 185 . 1 1 29 29 VAL HG13 H 1 0.427 0.0 . . . . . . 410 VAL QG . 15753 1 186 . 1 1 29 29 VAL HG21 H 1 0.427 0.0 . . . . . . 410 VAL QG . 15753 1 187 . 1 1 29 29 VAL HG22 H 1 0.427 0.0 . . . . . . 410 VAL QG . 15753 1 188 . 1 1 29 29 VAL HG23 H 1 0.427 0.0 . . . . . . 410 VAL QG . 15753 1 189 . 1 1 30 30 LYS H H 1 8.377 0.0 . . . . . . 411 LYS H . 15753 1 190 . 1 1 30 30 LYS HA H 1 4.259 0.0 . . . . . . 411 LYS HA . 15753 1 191 . 1 1 30 30 LYS HB2 H 1 1.791 0.0 . . . . . . 411 LYS HB1 . 15753 1 192 . 1 1 30 30 LYS HB3 H 1 1.498 0.0 . . . . . . 411 LYS HB2 . 15753 1 193 . 1 1 30 30 LYS HD2 H 1 1.584 0.0 . . . . . . 411 LYS QD . 15753 1 194 . 1 1 30 30 LYS HD3 H 1 1.584 0.0 . . . . . . 411 LYS QD . 15753 1 195 . 1 1 30 30 LYS HE2 H 1 2.92 0.0 . . . . . . 411 LYS QE . 15753 1 196 . 1 1 30 30 LYS HE3 H 1 2.92 0.0 . . . . . . 411 LYS QE . 15753 1 197 . 1 1 30 30 LYS HG2 H 1 1.379674 0.0 . . . . . . 411 LYS QG . 15753 1 198 . 1 1 30 30 LYS HG3 H 1 1.379674 0.0 . . . . . . 411 LYS QG . 15753 1 199 . 1 1 31 31 ALA H H 1 8.255 0.0 . . . . . . 412 ALA H . 15753 1 200 . 1 1 31 31 ALA HA H 1 4.041 0.0 . . . . . . 412 ALA HA . 15753 1 201 . 1 1 31 31 ALA HB1 H 1 1.297 0.0 . . . . . . 412 ALA HB . 15753 1 202 . 1 1 31 31 ALA HB2 H 1 1.297 0.0 . . . . . . 412 ALA HB . 15753 1 203 . 1 1 31 31 ALA HB3 H 1 1.297 0.0 . . . . . . 412 ALA HB . 15753 1 204 . 1 1 32 32 GLY H H 1 8.584894 0.0 . . . . . . 413 GLY H . 15753 1 205 . 1 1 32 32 GLY HA2 H 1 4.126215 0.0 . . . . . . 413 GLY HA1 . 15753 1 206 . 1 1 32 32 GLY HA3 H 1 3.584078 0.0 . . . . . . 413 GLY HA2 . 15753 1 207 . 1 1 33 33 GLU H H 1 7.889508 0.0 . . . . . . 414 GLU H . 15753 1 208 . 1 1 33 33 GLU HA H 1 4.316 0.0 . . . . . . 414 GLU HA . 15753 1 209 . 1 1 33 33 GLU HB2 H 1 1.965 0.0 . . . . . . 414 GLU HB1 . 15753 1 210 . 1 1 33 33 GLU HB3 H 1 1.789342 0.0 . . . . . . 414 GLU HB2 . 15753 1 211 . 1 1 33 33 GLU HG2 H 1 2.058 0.0 . . . . . . 414 GLU QG . 15753 1 212 . 1 1 33 33 GLU HG3 H 1 2.058 0.0 . . . . . . 414 GLU QG . 15753 1 213 . 1 1 34 34 LYS H H 1 8.379 0.0 . . . . . . 415 LYS H . 15753 1 214 . 1 1 34 34 LYS HA H 1 4.381 0.0 . . . . . . 415 LYS HA . 15753 1 215 . 1 1 34 34 LYS HB2 H 1 1.548 0.0 . . . . . . 415 LYS QB . 15753 1 216 . 1 1 34 34 LYS HB3 H 1 1.548 0.0 . . . . . . 415 LYS QB . 15753 1 217 . 1 1 34 34 LYS HD2 H 1 1.86 0.0 . . . . . . 415 LYS QD . 15753 1 218 . 1 1 34 34 LYS HD3 H 1 1.86 0.0 . . . . . . 415 LYS QD . 15753 1 219 . 1 1 34 34 LYS HE2 H 1 2.871 0.0 . . . . . . 415 LYS QE . 15753 1 220 . 1 1 34 34 LYS HE3 H 1 2.871 0.0 . . . . . . 415 LYS QE . 15753 1 221 . 1 1 34 34 LYS HG2 H 1 1.39 0.0 . . . . . . 415 LYS QG . 15753 1 222 . 1 1 34 34 LYS HG3 H 1 1.39 0.0 . . . . . . 415 LYS QG . 15753 1 223 . 1 1 35 35 ASN H H 1 7.723 0.0 . . . . . . 416 ASN H . 15753 1 224 . 1 1 35 35 ASN HA H 1 3.810584 0.0 . . . . . . 416 ASN HA . 15753 1 225 . 1 1 35 35 ASN HB2 H 1 0.738 0.0 . . . . . . 416 ASN HB1 . 15753 1 226 . 1 1 35 35 ASN HB3 H 1 0.425 0.0 . . . . . . 416 ASN HB2 . 15753 1 227 . 1 1 35 35 ASN HD21 H 1 6.92 0.0 . . . . . . 416 ASN HD21 . 15753 1 228 . 1 1 35 35 ASN HD22 H 1 7.63 0.0 . . . . . . 416 ASN HD22 . 15753 1 229 . 1 1 36 36 CYS H H 1 8.238 0.0 . . . . . . 417 CYS H . 15753 1 230 . 1 1 36 36 CYS HA H 1 5.087 0.0 . . . . . . 417 CYS HA . 15753 1 231 . 1 1 36 36 CYS HB2 H 1 3.976 0.0 . . . . . . 417 CYS HB1 . 15753 1 232 . 1 1 36 36 CYS HB3 H 1 2.952 0.0 . . . . . . 417 CYS HB2 . 15753 1 233 . 1 1 37 37 GLN H H 1 8.638 0.0 . . . . . . 418 GLN H . 15753 1 234 . 1 1 37 37 GLN HA H 1 4.564 0.0 . . . . . . 418 GLN HA . 15753 1 235 . 1 1 37 37 GLN HB2 H 1 2.008 0.0 . . . . . . 418 GLN HB1 . 15753 1 236 . 1 1 37 37 GLN HB3 H 1 1.408516 0.0 . . . . . . 418 GLN HB2 . 15753 1 237 . 1 1 37 37 GLN HE21 H 1 7.036 0.0 . . . . . . 418 GLN HE21 . 15753 1 238 . 1 1 37 37 GLN HE22 H 1 8.296 0.0 . . . . . . 418 GLN HE22 . 15753 1 239 . 1 1 37 37 GLN HG2 H 1 2.247 0.0 . . . . . . 418 GLN HG1 . 15753 1 240 . 1 1 37 37 GLN HG3 H 1 2.12 0.0 . . . . . . 418 GLN HG2 . 15753 1 241 . 1 1 38 38 PHE H H 1 9.014 0.0 . . . . . . 419 PHE H . 15753 1 242 . 1 1 38 38 PHE HA H 1 5.193 0.0 . . . . . . 419 PHE HA . 15753 1 243 . 1 1 38 38 PHE HB2 H 1 2.983 0.0 . . . . . . 419 PHE HB1 . 15753 1 244 . 1 1 38 38 PHE HB3 H 1 2.882 0.0 . . . . . . 419 PHE HB2 . 15753 1 245 . 1 1 38 38 PHE HD1 H 1 7.329 0.0 . . . . . . 419 PHE QD . 15753 1 246 . 1 1 38 38 PHE HD2 H 1 7.329 0.0 . . . . . . 419 PHE QD . 15753 1 247 . 1 1 38 38 PHE HE1 H 1 7.299339 0.0 . . . . . . 419 PHE QE . 15753 1 248 . 1 1 38 38 PHE HE2 H 1 7.299339 0.0 . . . . . . 419 PHE QE . 15753 1 249 . 1 1 38 38 PHE HZ H 1 7.296885 0.0 . . . . . . 419 PHE HZ . 15753 1 250 . 1 1 39 39 ASN H H 1 8.451 0.0 . . . . . . 420 ASN H . 15753 1 251 . 1 1 39 39 ASN HA H 1 4.623 0.0 . . . . . . 420 ASN HA . 15753 1 252 . 1 1 39 39 ASN HB2 H 1 2.580427 0.0 . . . . . . 420 ASN HB1 . 15753 1 253 . 1 1 39 39 ASN HB3 H 1 2.49 0.0 . . . . . . 420 ASN HB2 . 15753 1 254 . 1 1 39 39 ASN HD21 H 1 6.762 0.0 . . . . . . 420 ASN HD21 . 15753 1 255 . 1 1 39 39 ASN HD22 H 1 7.638 0.0 . . . . . . 420 ASN HD22 . 15753 1 256 . 1 1 40 40 SER H H 1 8.005003 0.0 . . . . . . 421 SER H . 15753 1 257 . 1 1 40 40 SER HA H 1 3.893 0.0 . . . . . . 421 SER HA . 15753 1 258 . 1 1 40 40 SER HB2 H 1 3.723458 0.0 . . . . . . 421 SER QB . 15753 1 259 . 1 1 40 40 SER HB3 H 1 3.723458 0.0 . . . . . . 421 SER QB . 15753 1 260 . 1 1 41 41 THR H H 1 7.952 0.0 . . . . . . 422 THR H . 15753 1 261 . 1 1 41 41 THR HA H 1 4.182 0.0 . . . . . . 422 THR HA . 15753 1 262 . 1 1 41 41 THR HB H 1 4.204 0.0 . . . . . . 422 THR HB . 15753 1 263 . 1 1 41 41 THR HG21 H 1 1.144 0.0 . . . . . . 422 THR HG2 . 15753 1 264 . 1 1 41 41 THR HG22 H 1 1.144 0.0 . . . . . . 422 THR HG2 . 15753 1 265 . 1 1 41 41 THR HG23 H 1 1.144 0.0 . . . . . . 422 THR HG2 . 15753 1 266 . 1 1 42 42 LYS H H 1 7.815 0.0 . . . . . . 423 LYS H . 15753 1 267 . 1 1 42 42 LYS HA H 1 4.084 0.0 . . . . . . 423 LYS HA . 15753 1 268 . 1 1 42 42 LYS HB2 H 1 1.768421 0.0 . . . . . . 423 LYS HB1 . 15753 1 269 . 1 1 42 42 LYS HB3 H 1 1.622 0.0 . . . . . . 423 LYS HB2 . 15753 1 270 . 1 1 42 42 LYS HD2 H 1 1.518329 0.0 . . . . . . 423 LYS QD . 15753 1 271 . 1 1 42 42 LYS HD3 H 1 1.518329 0.0 . . . . . . 423 LYS QD . 15753 1 272 . 1 1 42 42 LYS HE2 H 1 2.94 0.0 . . . . . . 423 LYS QE . 15753 1 273 . 1 1 42 42 LYS HE3 H 1 2.94 0.0 . . . . . . 423 LYS QE . 15753 1 274 . 1 1 42 42 LYS HG2 H 1 1.356 0.0 . . . . . . 423 LYS QG . 15753 1 275 . 1 1 42 42 LYS HG3 H 1 1.356 0.0 . . . . . . 423 LYS QG . 15753 1 276 . 1 1 43 43 ALA H H 1 8.182 0.0 . . . . . . 424 ALA H . 15753 1 277 . 1 1 43 43 ALA HA H 1 4.238 0.0 . . . . . . 424 ALA HA . 15753 1 278 . 1 1 43 43 ALA HB1 H 1 1.402 0.0 . . . . . . 424 ALA HB . 15753 1 279 . 1 1 43 43 ALA HB2 H 1 1.402 0.0 . . . . . . 424 ALA HB . 15753 1 280 . 1 1 43 43 ALA HB3 H 1 1.402 0.0 . . . . . . 424 ALA HB . 15753 1 281 . 1 1 44 44 SER H H 1 7.993 0.0 . . . . . . 425 SER H . 15753 1 282 . 1 1 44 44 SER HA H 1 4.394 0.0 . . . . . . 425 SER HA . 15753 1 283 . 1 1 44 44 SER HB2 H 1 3.884 0.0 . . . . . . 425 SER QB . 15753 1 284 . 1 1 44 44 SER HB3 H 1 3.884 0.0 . . . . . . 425 SER QB . 15753 1 285 . 1 1 45 45 LYS H H 1 8.077 0.0 . . . . . . 426 LYS H . 15753 1 286 . 1 1 45 45 LYS HA H 1 4.37 0.0 . . . . . . 426 LYS HA . 15753 1 287 . 1 1 45 45 LYS HB2 H 1 1.880706 0.0 . . . . . . 426 LYS HB1 . 15753 1 288 . 1 1 45 45 LYS HB3 H 1 1.759195 0.0 . . . . . . 426 LYS HB2 . 15753 1 289 . 1 1 45 45 LYS HD2 H 1 1.643 0.0 . . . . . . 426 LYS QD . 15753 1 290 . 1 1 45 45 LYS HD3 H 1 1.643 0.0 . . . . . . 426 LYS QD . 15753 1 291 . 1 1 45 45 LYS HE2 H 1 2.942 0.0 . . . . . . 426 LYS QE . 15753 1 292 . 1 1 45 45 LYS HE3 H 1 2.942 0.0 . . . . . . 426 LYS QE . 15753 1 293 . 1 1 45 45 LYS HG2 H 1 1.43886 0.0 . . . . . . 426 LYS QG . 15753 1 294 . 1 1 45 45 LYS HG3 H 1 1.43886 0.0 . . . . . . 426 LYS QG . 15753 1 295 . 1 1 46 46 SER H H 1 7.924 0.0 . . . . . . 427 SER H . 15753 1 296 . 1 1 46 46 SER HA H 1 4.228 0.0 . . . . . . 427 SER HA . 15753 1 297 . 1 1 46 46 SER HB2 H 1 3.806 0.0 . . . . . . 427 SER QB . 15753 1 298 . 1 1 46 46 SER HB3 H 1 3.806 0.0 . . . . . . 427 SER QB . 15753 1 stop_ save_