################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4291 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 $sample_one . 4291 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 ALA HA H 1 4.110 0.003 . 1 . . . . . . . . 4291 1 2 . 1 1 1 1 ALA HB1 H 1 1.470 0.003 . 1 . . . . . . . . 4291 1 3 . 1 1 1 1 ALA HB2 H 1 1.470 0.003 . 1 . . . . . . . . 4291 1 4 . 1 1 1 1 ALA HB3 H 1 1.470 0.003 . 1 . . . . . . . . 4291 1 5 . 1 1 2 2 PRO HA H 1 4.642 0.001 . 1 . . . . . . . . 4291 1 6 . 1 1 2 2 PRO HB2 H 1 2.483 0.001 . 1 . . . . . . . . 4291 1 7 . 1 1 2 2 PRO HB3 H 1 2.184 0.004 . 1 . . . . . . . . 4291 1 8 . 1 1 2 2 PRO HG2 H 1 2.174 0.011 . 1 . . . . . . . . 4291 1 9 . 1 1 2 2 PRO HG3 H 1 2.174 0.011 . 1 . . . . . . . . 4291 1 10 . 1 1 2 2 PRO HD2 H 1 3.621 0.003 . 1 . . . . . . . . 4291 1 11 . 1 1 2 2 PRO HD3 H 1 3.805 0.002 . 1 . . . . . . . . 4291 1 12 . 1 1 3 3 LYS HA H 1 4.411 0.001 . 1 . . . . . . . . 4291 1 13 . 1 1 3 3 LYS HB2 H 1 1.706 0.002 . 1 . . . . . . . . 4291 1 14 . 1 1 3 3 LYS HB3 H 1 1.706 0.002 . 1 . . . . . . . . 4291 1 15 . 1 1 3 3 LYS HG2 H 1 1.468 0.000 . 1 . . . . . . . . 4291 1 16 . 1 1 3 3 LYS HG3 H 1 1.468 0.000 . 1 . . . . . . . . 4291 1 17 . 1 1 4 4 ALA H H 1 8.210 0.001 . 1 . . . . . . . . 4291 1 18 . 1 1 4 4 ALA HA H 1 3.478 0.001 . 1 . . . . . . . . 4291 1 19 . 1 1 4 4 ALA HB1 H 1 0.225 0.001 . 1 . . . . . . . . 4291 1 20 . 1 1 4 4 ALA HB2 H 1 0.225 0.001 . 1 . . . . . . . . 4291 1 21 . 1 1 4 4 ALA HB3 H 1 0.225 0.001 . 1 . . . . . . . . 4291 1 22 . 1 1 5 5 PRO HA H 1 3.784 0.002 . 1 . . . . . . . . 4291 1 23 . 1 1 5 5 PRO HB2 H 1 0.582 0.003 . 1 . . . . . . . . 4291 1 24 . 1 1 5 5 PRO HB3 H 1 1.757 0.002 . 1 . . . . . . . . 4291 1 25 . 1 1 5 5 PRO HG2 H 1 -0.392 0.002 . 1 . . . . . . . . 4291 1 26 . 1 1 5 5 PRO HG3 H 1 0.897 0.005 . 1 . . . . . . . . 4291 1 27 . 1 1 5 5 PRO HD2 H 1 -1.900 0.002 . 1 . . . . . . . . 4291 1 28 . 1 1 5 5 PRO HD3 H 1 1.884 0.006 . 1 . . . . . . . . 4291 1 29 . 1 1 6 6 ALA H H 1 7.539 0.002 . 1 . . . . . . . . 4291 1 30 . 1 1 6 6 ALA HA H 1 3.730 0.001 . 1 . . . . . . . . 4291 1 31 . 1 1 6 6 ALA HB1 H 1 1.236 0.001 . 1 . . . . . . . . 4291 1 32 . 1 1 6 6 ALA HB2 H 1 1.236 0.001 . 1 . . . . . . . . 4291 1 33 . 1 1 6 6 ALA HB3 H 1 1.236 0.001 . 1 . . . . . . . . 4291 1 34 . 1 1 7 7 ASP H H 1 8.037 0.004 . 1 . . . . . . . . 4291 1 35 . 1 1 7 7 ASP HA H 1 4.456 0.005 . 1 . . . . . . . . 4291 1 36 . 1 1 7 7 ASP HB2 H 1 2.243 0.003 . 1 . . . . . . . . 4291 1 37 . 1 1 7 7 ASP HB3 H 1 2.572 0.012 . 1 . . . . . . . . 4291 1 38 . 1 1 8 8 GLY H H 1 8.329 0.003 . 1 . . . . . . . . 4291 1 39 . 1 1 8 8 GLY HA2 H 1 3.299 0.004 . 1 . . . . . . . . 4291 1 40 . 1 1 8 8 GLY HA3 H 1 3.883 0.006 . 1 . . . . . . . . 4291 1 41 . 1 1 9 9 LEU H H 1 7.144 0.002 . 1 . . . . . . . . 4291 1 42 . 1 1 9 9 LEU HA H 1 4.226 0.004 . 1 . . . . . . . . 4291 1 43 . 1 1 9 9 LEU HB2 H 1 1.715 0.007 . 1 . . . . . . . . 4291 1 44 . 1 1 9 9 LEU HB3 H 1 2.093 0.003 . 1 . . . . . . . . 4291 1 45 . 1 1 9 9 LEU HG H 1 1.740 0.005 . 1 . . . . . . . . 4291 1 46 . 1 1 9 9 LEU HD11 H 1 0.891 0.003 . 1 . . . . . . . . 4291 1 47 . 1 1 9 9 LEU HD12 H 1 0.891 0.003 . 1 . . . . . . . . 4291 1 48 . 1 1 9 9 LEU HD13 H 1 0.891 0.003 . 1 . . . . . . . . 4291 1 49 . 1 1 9 9 LEU HD21 H 1 1.051 0.003 . 1 . . . . . . . . 4291 1 50 . 1 1 9 9 LEU HD22 H 1 1.051 0.003 . 1 . . . . . . . . 4291 1 51 . 1 1 9 9 LEU HD23 H 1 1.051 0.003 . 1 . . . . . . . . 4291 1 52 . 1 1 10 10 LYS H H 1 8.728 0.002 . 1 . . . . . . . . 4291 1 53 . 1 1 10 10 LYS HA H 1 4.672 0.005 . 1 . . . . . . . . 4291 1 54 . 1 1 10 10 LYS HB2 H 1 1.824 0.004 . 1 . . . . . . . . 4291 1 55 . 1 1 10 10 LYS HB3 H 1 1.824 0.004 . 1 . . . . . . . . 4291 1 56 . 1 1 10 10 LYS HG2 H 1 1.408 0.004 . 1 . . . . . . . . 4291 1 57 . 1 1 10 10 LYS HG3 H 1 1.353 0.006 . 1 . . . . . . . . 4291 1 58 . 1 1 10 10 LYS HD2 H 1 1.717 0.001 . 1 . . . . . . . . 4291 1 59 . 1 1 10 10 LYS HD3 H 1 1.717 0.001 . 1 . . . . . . . . 4291 1 60 . 1 1 10 10 LYS HE2 H 1 2.949 0.008 . 1 . . . . . . . . 4291 1 61 . 1 1 10 10 LYS HE3 H 1 2.988 0.002 . 1 . . . . . . . . 4291 1 62 . 1 1 11 11 MET H H 1 9.808 0.002 . 1 . . . . . . . . 4291 1 63 . 1 1 11 11 MET HA H 1 4.841 0.001 . 1 . . . . . . . . 4291 1 64 . 1 1 11 11 MET HB2 H 1 3.038 0.004 . 1 . . . . . . . . 4291 1 65 . 1 1 11 11 MET HB3 H 1 3.038 0.004 . 1 . . . . . . . . 4291 1 66 . 1 1 11 11 MET HG2 H 1 3.233 0.006 . 1 . . . . . . . . 4291 1 67 . 1 1 11 11 MET HG3 H 1 3.233 0.006 . 1 . . . . . . . . 4291 1 68 . 1 1 11 11 MET HE1 H 1 3.193 0.005 . 1 . . . . . . . . 4291 1 69 . 1 1 11 11 MET HE2 H 1 3.193 0.005 . 1 . . . . . . . . 4291 1 70 . 1 1 11 11 MET HE3 H 1 3.193 0.005 . 1 . . . . . . . . 4291 1 71 . 1 1 12 12 GLU H H 1 8.839 0.004 . 1 . . . . . . . . 4291 1 72 . 1 1 12 12 GLU HA H 1 5.392 0.003 . 1 . . . . . . . . 4291 1 73 . 1 1 12 12 GLU HB2 H 1 1.841 0.005 . 1 . . . . . . . . 4291 1 74 . 1 1 12 12 GLU HB3 H 1 2.297 0.004 . 1 . . . . . . . . 4291 1 75 . 1 1 12 12 GLU HG2 H 1 2.398 0.001 . 1 . . . . . . . . 4291 1 76 . 1 1 12 12 GLU HG3 H 1 2.463 0.001 . 1 . . . . . . . . 4291 1 77 . 1 1 13 13 ALA H H 1 0.945 0.002 . 1 . . . . . . . . 4291 1 78 . 1 1 13 13 ALA HA H 1 4.509 0.002 . 1 . . . . . . . . 4291 1 79 . 1 1 13 13 ALA HB1 H 1 1.440 0.002 . 1 . . . . . . . . 4291 1 80 . 1 1 13 13 ALA HB2 H 1 1.440 0.002 . 1 . . . . . . . . 4291 1 81 . 1 1 13 13 ALA HB3 H 1 1.440 0.002 . 1 . . . . . . . . 4291 1 82 . 1 1 14 14 THR H H 1 10.818 0.004 . 1 . . . . . . . . 4291 1 83 . 1 1 14 14 THR HA H 1 5.183 0.004 . 1 . . . . . . . . 4291 1 84 . 1 1 14 14 THR HB H 1 5.230 0.005 . 1 . . . . . . . . 4291 1 85 . 1 1 14 14 THR HG1 H 1 8.315 0.004 . 1 . . . . . . . . 4291 1 86 . 1 1 14 14 THR HG21 H 1 2.063 0.004 . 1 . . . . . . . . 4291 1 87 . 1 1 14 14 THR HG22 H 1 2.063 0.004 . 1 . . . . . . . . 4291 1 88 . 1 1 14 14 THR HG23 H 1 2.063 0.004 . 1 . . . . . . . . 4291 1 89 . 1 1 15 15 LYS H H 1 8.481 0.004 . 1 . . . . . . . . 4291 1 90 . 1 1 15 15 LYS HA H 1 4.507 0.004 . 1 . . . . . . . . 4291 1 91 . 1 1 15 15 LYS HB2 H 1 2.121 0.002 . 1 . . . . . . . . 4291 1 92 . 1 1 15 15 LYS HB3 H 1 2.221 0.005 . 1 . . . . . . . . 4291 1 93 . 1 1 15 15 LYS HG2 H 1 1.783 0.005 . 1 . . . . . . . . 4291 1 94 . 1 1 15 15 LYS HG3 H 1 1.783 0.005 . 1 . . . . . . . . 4291 1 95 . 1 1 15 15 LYS HD2 H 1 1.886 0.008 . 1 . . . . . . . . 4291 1 96 . 1 1 15 15 LYS HD3 H 1 1.886 0.008 . 1 . . . . . . . . 4291 1 97 . 1 1 15 15 LYS HE2 H 1 3.197 0.008 . 1 . . . . . . . . 4291 1 98 . 1 1 15 15 LYS HE3 H 1 3.197 0.008 . 1 . . . . . . . . 4291 1 99 . 1 1 16 16 GLN H H 1 9.388 0.004 . 1 . . . . . . . . 4291 1 100 . 1 1 16 16 GLN HA H 1 4.500 0.001 . 1 . . . . . . . . 4291 1 101 . 1 1 16 16 GLN HB2 H 1 1.283 0.005 . 1 . . . . . . . . 4291 1 102 . 1 1 16 16 GLN HB3 H 1 0.622 0.005 . 1 . . . . . . . . 4291 1 103 . 1 1 16 16 GLN HG2 H 1 1.677 0.003 . 1 . . . . . . . . 4291 1 104 . 1 1 16 16 GLN HG3 H 1 1.866 0.008 . 1 . . . . . . . . 4291 1 105 . 1 1 16 16 GLN HE21 H 1 2.298 0.003 . 1 . . . . . . . . 4291 1 106 . 1 1 16 16 GLN HE22 H 1 4.939 0.002 . 1 . . . . . . . . 4291 1 107 . 1 1 17 17 PRO HA H 1 5.394 0.004 . 1 . . . . . . . . 4291 1 108 . 1 1 17 17 PRO HB2 H 1 2.402 0.002 . 1 . . . . . . . . 4291 1 109 . 1 1 17 17 PRO HB3 H 1 1.762 0.006 . 1 . . . . . . . . 4291 1 110 . 1 1 17 17 PRO HG2 H 1 1.987 0.004 . 1 . . . . . . . . 4291 1 111 . 1 1 17 17 PRO HG3 H 1 1.987 0.004 . 1 . . . . . . . . 4291 1 112 . 1 1 17 17 PRO HD2 H 1 3.403 0.004 . 1 . . . . . . . . 4291 1 113 . 1 1 17 17 PRO HD3 H 1 3.403 0.004 . 1 . . . . . . . . 4291 1 114 . 1 1 18 18 VAL H H 1 9.120 0.005 . 1 . . . . . . . . 4291 1 115 . 1 1 18 18 VAL HA H 1 4.363 0.002 . 1 . . . . . . . . 4291 1 116 . 1 1 18 18 VAL HB H 1 2.481 0.004 . 1 . . . . . . . . 4291 1 117 . 1 1 18 18 VAL HG11 H 1 1.739 0.003 . 1 . . . . . . . . 4291 1 118 . 1 1 18 18 VAL HG12 H 1 1.739 0.003 . 1 . . . . . . . . 4291 1 119 . 1 1 18 18 VAL HG13 H 1 1.739 0.003 . 1 . . . . . . . . 4291 1 120 . 1 1 18 18 VAL HG21 H 1 0.153 0.001 . 1 . . . . . . . . 4291 1 121 . 1 1 18 18 VAL HG22 H 1 0.153 0.001 . 1 . . . . . . . . 4291 1 122 . 1 1 18 18 VAL HG23 H 1 0.153 0.001 . 1 . . . . . . . . 4291 1 123 . 1 1 19 19 VAL H H 1 8.271 0.004 . 1 . . . . . . . . 4291 1 124 . 1 1 19 19 VAL HA H 1 4.650 0.005 . 1 . . . . . . . . 4291 1 125 . 1 1 19 19 VAL HB H 1 2.054 0.005 . 1 . . . . . . . . 4291 1 126 . 1 1 19 19 VAL HG11 H 1 0.740 0.003 . 1 . . . . . . . . 4291 1 127 . 1 1 19 19 VAL HG12 H 1 0.740 0.003 . 1 . . . . . . . . 4291 1 128 . 1 1 19 19 VAL HG13 H 1 0.740 0.003 . 1 . . . . . . . . 4291 1 129 . 1 1 19 19 VAL HG21 H 1 0.954 0.003 . 1 . . . . . . . . 4291 1 130 . 1 1 19 19 VAL HG22 H 1 0.954 0.003 . 1 . . . . . . . . 4291 1 131 . 1 1 19 19 VAL HG23 H 1 0.954 0.003 . 1 . . . . . . . . 4291 1 132 . 1 1 20 20 PHE H H 1 9.509 0.002 . 1 . . . . . . . . 4291 1 133 . 1 1 20 20 PHE HA H 1 4.669 0.004 . 1 . . . . . . . . 4291 1 134 . 1 1 20 20 PHE HB2 H 1 3.328 0.000 . 1 . . . . . . . . 4291 1 135 . 1 1 20 20 PHE HB3 H 1 2.734 0.001 . 1 . . . . . . . . 4291 1 136 . 1 1 20 20 PHE HD1 H 1 4.886 0.003 . 1 . . . . . . . . 4291 1 137 . 1 1 20 20 PHE HD2 H 1 7.066 0.007 . 1 . . . . . . . . 4291 1 138 . 1 1 20 20 PHE HE1 H 1 0.735 0.006 . 1 . . . . . . . . 4291 1 139 . 1 1 20 20 PHE HE2 H 1 3.697 0.002 . 1 . . . . . . . . 4291 1 140 . 1 1 20 20 PHE HZ H 1 4.543 0.005 . 1 . . . . . . . . 4291 1 141 . 1 1 21 21 ASN H H 1 7.885 0.004 . 1 . . . . . . . . 4291 1 142 . 1 1 21 21 ASN HA H 1 4.140 0.006 . 1 . . . . . . . . 4291 1 143 . 1 1 21 21 ASN HB2 H 1 1.652 0.011 . 1 . . . . . . . . 4291 1 144 . 1 1 21 21 ASN HB3 H 1 2.045 0.008 . 1 . . . . . . . . 4291 1 145 . 1 1 21 21 ASN HD21 H 1 8.594 0.003 . 1 . . . . . . . . 4291 1 146 . 1 1 21 21 ASN HD22 H 1 6.482 0.003 . 1 . . . . . . . . 4291 1 147 . 1 1 22 22 HIS H H 1 7.597 0.005 . 1 . . . . . . . . 4291 1 148 . 1 1 22 22 HIS HA H 1 1.490 0.003 . 1 . . . . . . . . 4291 1 149 . 1 1 22 22 HIS HB2 H 1 1.050 0.006 . 1 . . . . . . . . 4291 1 150 . 1 1 22 22 HIS HB3 H 1 1.285 0.005 . 1 . . . . . . . . 4291 1 151 . 1 1 22 22 HIS HD1 H 1 9.294 0.002 . 1 . . . . . . . . 4291 1 152 . 1 1 22 22 HIS HD2 H 1 0.725 0.004 . 1 . . . . . . . . 4291 1 153 . 1 1 22 22 HIS HE1 H 1 1.523 0.002 . 1 . . . . . . . . 4291 1 154 . 1 1 23 23 SER H H 1 9.038 0.007 . 1 . . . . . . . . 4291 1 155 . 1 1 23 23 SER HA H 1 3.455 0.002 . 1 . . . . . . . . 4291 1 156 . 1 1 23 23 SER HB2 H 1 3.307 0.001 . 1 . . . . . . . . 4291 1 157 . 1 1 23 23 SER HB3 H 1 3.457 0.000 . 1 . . . . . . . . 4291 1 158 . 1 1 24 24 THR H H 1 5.763 0.002 . 1 . . . . . . . . 4291 1 159 . 1 1 24 24 THR HA H 1 3.304 0.002 . 1 . . . . . . . . 4291 1 160 . 1 1 24 24 THR HB H 1 2.616 0.003 . 1 . . . . . . . . 4291 1 161 . 1 1 24 24 THR HG21 H 1 -0.134 0.004 . 1 . . . . . . . . 4291 1 162 . 1 1 24 24 THR HG22 H 1 -0.134 0.004 . 1 . . . . . . . . 4291 1 163 . 1 1 24 24 THR HG23 H 1 -0.134 0.004 . 1 . . . . . . . . 4291 1 164 . 1 1 25 25 HIS H H 1 5.896 0.002 . 1 . . . . . . . . 4291 1 165 . 1 1 25 25 HIS HA H 1 3.042 0.004 . 1 . . . . . . . . 4291 1 166 . 1 1 25 25 HIS HB2 H 1 0.794 0.005 . 1 . . . . . . . . 4291 1 167 . 1 1 25 25 HIS HB3 H 1 2.332 0.004 . 1 . . . . . . . . 4291 1 168 . 1 1 25 25 HIS HD1 H 1 6.758 0.003 . 1 . . . . . . . . 4291 1 169 . 1 1 25 25 HIS HD2 H 1 1.004 0.003 . 1 . . . . . . . . 4291 1 170 . 1 1 25 25 HIS HE1 H 1 1.627 0.008 . 1 . . . . . . . . 4291 1 171 . 1 1 26 26 LYS H H 1 6.442 0.002 . 1 . . . . . . . . 4291 1 172 . 1 1 26 26 LYS HA H 1 4.177 0.003 . 1 . . . . . . . . 4291 1 173 . 1 1 26 26 LYS HB2 H 1 1.801 0.007 . 1 . . . . . . . . 4291 1 174 . 1 1 26 26 LYS HB3 H 1 1.697 0.004 . 1 . . . . . . . . 4291 1 175 . 1 1 26 26 LYS HG2 H 1 1.300 0.004 . 1 . . . . . . . . 4291 1 176 . 1 1 26 26 LYS HG3 H 1 1.365 0.004 . 1 . . . . . . . . 4291 1 177 . 1 1 26 26 LYS HD2 H 1 1.699 0.001 . 1 . . . . . . . . 4291 1 178 . 1 1 26 26 LYS HD3 H 1 1.583 0.008 . 1 . . . . . . . . 4291 1 179 . 1 1 26 26 LYS HE2 H 1 2.926 0.001 . 1 . . . . . . . . 4291 1 180 . 1 1 26 26 LYS HE3 H 1 2.926 0.001 . 1 . . . . . . . . 4291 1 181 . 1 1 27 27 SER HA H 1 4.493 0.000 . 1 . . . . . . . . 4291 1 182 . 1 1 27 27 SER HB2 H 1 4.045 0.001 . 1 . . . . . . . . 4291 1 183 . 1 1 27 27 SER HB3 H 1 4.192 0.003 . 1 . . . . . . . . 4291 1 184 . 1 1 28 28 VAL H H 1 8.062 0.003 . 1 . . . . . . . . 4291 1 185 . 1 1 28 28 VAL HA H 1 4.500 0.003 . 1 . . . . . . . . 4291 1 186 . 1 1 28 28 VAL HB H 1 2.698 0.004 . 1 . . . . . . . . 4291 1 187 . 1 1 28 28 VAL HG11 H 1 1.756 0.003 . 1 . . . . . . . . 4291 1 188 . 1 1 28 28 VAL HG12 H 1 1.756 0.003 . 1 . . . . . . . . 4291 1 189 . 1 1 28 28 VAL HG13 H 1 1.756 0.003 . 1 . . . . . . . . 4291 1 190 . 1 1 28 28 VAL HG21 H 1 1.360 0.001 . 1 . . . . . . . . 4291 1 191 . 1 1 28 28 VAL HG22 H 1 1.360 0.001 . 1 . . . . . . . . 4291 1 192 . 1 1 28 28 VAL HG23 H 1 1.360 0.001 . 1 . . . . . . . . 4291 1 193 . 1 1 29 29 LYS H H 1 8.775 0.002 . 1 . . . . . . . . 4291 1 194 . 1 1 29 29 LYS HA H 1 4.640 0.001 . 1 . . . . . . . . 4291 1 195 . 1 1 29 29 LYS HB2 H 1 1.842 0.006 . 1 . . . . . . . . 4291 1 196 . 1 1 29 29 LYS HB3 H 1 1.920 0.002 . 1 . . . . . . . . 4291 1 197 . 1 1 29 29 LYS HG2 H 1 1.658 0.002 . 1 . . . . . . . . 4291 1 198 . 1 1 29 29 LYS HG3 H 1 1.658 0.002 . 1 . . . . . . . . 4291 1 199 . 1 1 29 29 LYS HD2 H 1 1.777 0.001 . 1 . . . . . . . . 4291 1 200 . 1 1 29 29 LYS HD3 H 1 1.777 0.001 . 1 . . . . . . . . 4291 1 201 . 1 1 29 29 LYS HE2 H 1 3.086 0.000 . 1 . . . . . . . . 4291 1 202 . 1 1 29 29 LYS HE3 H 1 3.086 0.000 . 1 . . . . . . . . 4291 1 203 . 1 1 30 30 CYS H H 1 8.428 0.002 . 1 . . . . . . . . 4291 1 204 . 1 1 30 30 CYS HA H 1 5.176 0.002 . 1 . . . . . . . . 4291 1 205 . 1 1 30 30 CYS HB2 H 1 2.512 0.003 . 1 . . . . . . . . 4291 1 206 . 1 1 30 30 CYS HB3 H 1 2.512 0.003 . 1 . . . . . . . . 4291 1 207 . 1 1 31 31 GLY H H 1 8.373 0.002 . 1 . . . . . . . . 4291 1 208 . 1 1 31 31 GLY HA2 H 1 3.253 0.003 . 1 . . . . . . . . 4291 1 209 . 1 1 31 31 GLY HA3 H 1 3.138 0.003 . 1 . . . . . . . . 4291 1 210 . 1 1 32 32 ASP H H 1 7.803 0.004 . 1 . . . . . . . . 4291 1 211 . 1 1 32 32 ASP HA H 1 4.381 0.002 . 1 . . . . . . . . 4291 1 212 . 1 1 32 32 ASP HB2 H 1 2.818 0.003 . 1 . . . . . . . . 4291 1 213 . 1 1 32 32 ASP HB3 H 1 3.181 0.002 . 1 . . . . . . . . 4291 1 214 . 1 1 33 33 CYS H H 1 6.294 0.005 . 1 . . . . . . . . 4291 1 215 . 1 1 33 33 CYS HA H 1 4.570 0.006 . 1 . . . . . . . . 4291 1 216 . 1 1 33 33 CYS HB2 H 1 1.369 0.005 . 1 . . . . . . . . 4291 1 217 . 1 1 33 33 CYS HB3 H 1 2.196 0.005 . 1 . . . . . . . . 4291 1 218 . 1 1 34 34 HIS H H 1 6.381 0.003 . 1 . . . . . . . . 4291 1 219 . 1 1 34 34 HIS HA H 1 2.227 0.006 . 1 . . . . . . . . 4291 1 220 . 1 1 34 34 HIS HB2 H 1 0.707 0.006 . 1 . . . . . . . . 4291 1 221 . 1 1 34 34 HIS HB3 H 1 0.972 0.006 . 1 . . . . . . . . 4291 1 222 . 1 1 34 34 HIS HD1 H 1 9.362 0.002 . 1 . . . . . . . . 4291 1 223 . 1 1 34 34 HIS HD2 H 1 0.573 0.002 . 1 . . . . . . . . 4291 1 224 . 1 1 34 34 HIS HE1 H 1 1.208 0.002 . 1 . . . . . . . . 4291 1 225 . 1 1 35 35 HIS H H 1 4.477 0.002 . 1 . . . . . . . . 4291 1 226 . 1 1 35 35 HIS HA H 1 3.062 0.004 . 1 . . . . . . . . 4291 1 227 . 1 1 35 35 HIS HB2 H 1 -0.049 0.004 . 1 . . . . . . . . 4291 1 228 . 1 1 35 35 HIS HB3 H 1 0.236 0.002 . 1 . . . . . . . . 4291 1 229 . 1 1 35 35 HIS HD1 H 1 7.101 0.002 . 1 . . . . . . . . 4291 1 230 . 1 1 35 35 HIS HD2 H 1 0.778 0.003 . 1 . . . . . . . . 4291 1 231 . 1 1 35 35 HIS HE1 H 1 0.998 0.003 . 1 . . . . . . . . 4291 1 232 . 1 1 36 36 PRO HA H 1 3.567 0.002 . 1 . . . . . . . . 4291 1 233 . 1 1 36 36 PRO HB2 H 1 1.142 0.005 . 1 . . . . . . . . 4291 1 234 . 1 1 36 36 PRO HB3 H 1 1.420 0.002 . 1 . . . . . . . . 4291 1 235 . 1 1 36 36 PRO HG2 H 1 1.463 0.003 . 1 . . . . . . . . 4291 1 236 . 1 1 36 36 PRO HG3 H 1 1.463 0.003 . 1 . . . . . . . . 4291 1 237 . 1 1 36 36 PRO HD2 H 1 2.440 0.004 . 1 . . . . . . . . 4291 1 238 . 1 1 36 36 PRO HD3 H 1 3.006 0.004 . 1 . . . . . . . . 4291 1 239 . 1 1 37 37 VAL H H 1 7.803 0.002 . 1 . . . . . . . . 4291 1 240 . 1 1 37 37 VAL HA H 1 3.597 0.002 . 1 . . . . . . . . 4291 1 241 . 1 1 37 37 VAL HB H 1 1.428 0.001 . 1 . . . . . . . . 4291 1 242 . 1 1 37 37 VAL HG11 H 1 0.869 0.004 . 1 . . . . . . . . 4291 1 243 . 1 1 37 37 VAL HG12 H 1 0.869 0.004 . 1 . . . . . . . . 4291 1 244 . 1 1 37 37 VAL HG13 H 1 0.869 0.004 . 1 . . . . . . . . 4291 1 245 . 1 1 37 37 VAL HG21 H 1 -0.259 0.002 . 1 . . . . . . . . 4291 1 246 . 1 1 37 37 VAL HG22 H 1 -0.259 0.002 . 1 . . . . . . . . 4291 1 247 . 1 1 37 37 VAL HG23 H 1 -0.259 0.002 . 1 . . . . . . . . 4291 1 248 . 1 1 38 38 ASN HA H 1 4.312 0.000 . 1 . . . . . . . . 4291 1 249 . 1 1 38 38 ASN HB2 H 1 2.747 0.000 . 1 . . . . . . . . 4291 1 250 . 1 1 38 38 ASN HB3 H 1 3.019 0.001 . 1 . . . . . . . . 4291 1 251 . 1 1 39 39 GLY HA2 H 1 3.403 0.001 . 1 . . . . . . . . 4291 1 252 . 1 1 39 39 GLY HA3 H 1 3.971 0.001 . 1 . . . . . . . . 4291 1 253 . 1 1 40 40 LYS H H 1 7.423 0.006 . 1 . . . . . . . . 4291 1 254 . 1 1 40 40 LYS HA H 1 4.372 0.001 . 1 . . . . . . . . 4291 1 255 . 1 1 40 40 LYS HB2 H 1 1.559 0.003 . 1 . . . . . . . . 4291 1 256 . 1 1 40 40 LYS HB3 H 1 1.559 0.003 . 1 . . . . . . . . 4291 1 257 . 1 1 40 40 LYS HG2 H 1 1.177 0.001 . 1 . . . . . . . . 4291 1 258 . 1 1 40 40 LYS HG3 H 1 1.177 0.001 . 1 . . . . . . . . 4291 1 259 . 1 1 40 40 LYS HD2 H 1 1.572 0.002 . 1 . . . . . . . . 4291 1 260 . 1 1 40 40 LYS HD3 H 1 1.572 0.002 . 1 . . . . . . . . 4291 1 261 . 1 1 40 40 LYS HE2 H 1 2.911 0.002 . 1 . . . . . . . . 4291 1 262 . 1 1 40 40 LYS HE3 H 1 2.911 0.002 . 1 . . . . . . . . 4291 1 263 . 1 1 41 41 GLU HA H 1 3.654 0.005 . 1 . . . . . . . . 4291 1 264 . 1 1 41 41 GLU HB2 H 1 1.418 0.002 . 1 . . . . . . . . 4291 1 265 . 1 1 41 41 GLU HB3 H 1 1.418 0.002 . 1 . . . . . . . . 4291 1 266 . 1 1 41 41 GLU HG2 H 1 1.653 0.005 . 1 . . . . . . . . 4291 1 267 . 1 1 41 41 GLU HG3 H 1 1.653 0.005 . 1 . . . . . . . . 4291 1 268 . 1 1 42 42 ASP H H 1 7.550 0.007 . 1 . . . . . . . . 4291 1 269 . 1 1 42 42 ASP HA H 1 3.953 0.001 . 1 . . . . . . . . 4291 1 270 . 1 1 42 42 ASP HB2 H 1 1.994 0.002 . 1 . . . . . . . . 4291 1 271 . 1 1 42 42 ASP HB3 H 1 2.079 0.002 . 1 . . . . . . . . 4291 1 272 . 1 1 43 43 TYR H H 1 7.650 0.005 . 1 . . . . . . . . 4291 1 273 . 1 1 43 43 TYR HA H 1 2.550 0.003 . 1 . . . . . . . . 4291 1 274 . 1 1 43 43 TYR HB2 H 1 1.029 0.001 . 1 . . . . . . . . 4291 1 275 . 1 1 43 43 TYR HB3 H 1 1.029 0.001 . 1 . . . . . . . . 4291 1 276 . 1 1 43 43 TYR HD1 H 1 5.533 0.001 . 1 . . . . . . . . 4291 1 277 . 1 1 43 43 TYR HD2 H 1 5.533 0.001 . 1 . . . . . . . . 4291 1 278 . 1 1 43 43 TYR HE1 H 1 6.069 0.001 . 1 . . . . . . . . 4291 1 279 . 1 1 43 43 TYR HE2 H 1 6.069 0.001 . 1 . . . . . . . . 4291 1 280 . 1 1 44 44 ARG H H 1 6.780 0.003 . 1 . . . . . . . . 4291 1 281 . 1 1 44 44 ARG HA H 1 4.845 0.003 . 1 . . . . . . . . 4291 1 282 . 1 1 44 44 ARG HB2 H 1 1.763 0.007 . 1 . . . . . . . . 4291 1 283 . 1 1 44 44 ARG HB3 H 1 2.093 0.005 . 1 . . . . . . . . 4291 1 284 . 1 1 44 44 ARG HG2 H 1 1.517 0.005 . 1 . . . . . . . . 4291 1 285 . 1 1 44 44 ARG HG3 H 1 1.651 0.004 . 1 . . . . . . . . 4291 1 286 . 1 1 44 44 ARG HD2 H 1 3.302 0.005 . 1 . . . . . . . . 4291 1 287 . 1 1 44 44 ARG HD3 H 1 3.302 0.005 . 1 . . . . . . . . 4291 1 288 . 1 1 45 45 LYS H H 1 9.006 0.002 . 1 . . . . . . . . 4291 1 289 . 1 1 45 45 LYS HA H 1 4.951 0.003 . 1 . . . . . . . . 4291 1 290 . 1 1 45 45 LYS HB2 H 1 2.324 0.003 . 1 . . . . . . . . 4291 1 291 . 1 1 45 45 LYS HB3 H 1 2.586 0.005 . 1 . . . . . . . . 4291 1 292 . 1 1 45 45 LYS HG2 H 1 2.454 0.005 . 1 . . . . . . . . 4291 1 293 . 1 1 45 45 LYS HG3 H 1 2.251 0.004 . 1 . . . . . . . . 4291 1 294 . 1 1 45 45 LYS HD2 H 1 2.252 0.004 . 1 . . . . . . . . 4291 1 295 . 1 1 45 45 LYS HD3 H 1 2.252 0.004 . 1 . . . . . . . . 4291 1 296 . 1 1 45 45 LYS HE2 H 1 3.510 0.005 . 1 . . . . . . . . 4291 1 297 . 1 1 45 45 LYS HE3 H 1 3.510 0.005 . 1 . . . . . . . . 4291 1 298 . 1 1 46 46 CYS H H 1 8.983 0.003 . 1 . . . . . . . . 4291 1 299 . 1 1 46 46 CYS HA H 1 4.981 0.006 . 1 . . . . . . . . 4291 1 300 . 1 1 46 46 CYS HB2 H 1 2.464 0.003 . 1 . . . . . . . . 4291 1 301 . 1 1 46 46 CYS HB3 H 1 2.464 0.003 . 1 . . . . . . . . 4291 1 302 . 1 1 47 47 GLY H H 1 8.826 0.002 . 1 . . . . . . . . 4291 1 303 . 1 1 47 47 GLY HA2 H 1 4.159 0.006 . 1 . . . . . . . . 4291 1 304 . 1 1 47 47 GLY HA3 H 1 3.445 0.000 . 1 . . . . . . . . 4291 1 305 . 1 1 48 48 THR H H 1 7.156 0.002 . 1 . . . . . . . . 4291 1 306 . 1 1 48 48 THR HA H 1 3.915 0.002 . 1 . . . . . . . . 4291 1 307 . 1 1 48 48 THR HB H 1 4.158 0.007 . 1 . . . . . . . . 4291 1 308 . 1 1 48 48 THR HG21 H 1 1.509 0.003 . 1 . . . . . . . . 4291 1 309 . 1 1 48 48 THR HG22 H 1 1.509 0.003 . 1 . . . . . . . . 4291 1 310 . 1 1 48 48 THR HG23 H 1 1.509 0.003 . 1 . . . . . . . . 4291 1 311 . 1 1 49 49 ALA H H 1 8.381 0.002 . 1 . . . . . . . . 4291 1 312 . 1 1 49 49 ALA HA H 1 4.188 0.003 . 1 . . . . . . . . 4291 1 313 . 1 1 49 49 ALA HB1 H 1 1.428 0.002 . 1 . . . . . . . . 4291 1 314 . 1 1 49 49 ALA HB2 H 1 1.428 0.002 . 1 . . . . . . . . 4291 1 315 . 1 1 49 49 ALA HB3 H 1 1.428 0.002 . 1 . . . . . . . . 4291 1 316 . 1 1 50 50 GLY H H 1 8.828 0.003 . 1 . . . . . . . . 4291 1 317 . 1 1 50 50 GLY HA2 H 1 3.662 0.002 . 1 . . . . . . . . 4291 1 318 . 1 1 50 50 GLY HA3 H 1 4.425 0.002 . 1 . . . . . . . . 4291 1 319 . 1 1 51 51 CYS H H 1 8.248 0.003 . 1 . . . . . . . . 4291 1 320 . 1 1 51 51 CYS HA H 1 4.101 0.005 . 1 . . . . . . . . 4291 1 321 . 1 1 51 51 CYS HB2 H 1 2.702 0.00 . 1 . . . . . . . . 4291 1 322 . 1 1 51 51 CYS HB3 H 1 1.594 0.005 . 1 . . . . . . . . 4291 1 323 . 1 1 52 52 HIS H H 1 6.328 0.003 . 1 . . . . . . . . 4291 1 324 . 1 1 52 52 HIS HA H 1 3.545 0.002 . 1 . . . . . . . . 4291 1 325 . 1 1 52 52 HIS HB2 H 1 1.566 0.005 . 1 . . . . . . . . 4291 1 326 . 1 1 52 52 HIS HB3 H 1 1.017 0.003 . 1 . . . . . . . . 4291 1 327 . 1 1 52 52 HIS HD1 H 1 7.907 0.002 . 1 . . . . . . . . 4291 1 328 . 1 1 52 52 HIS HD2 H 1 0.854 0.003 . 1 . . . . . . . . 4291 1 329 . 1 1 52 52 HIS HE1 H 1 1.232 0.002 . 1 . . . . . . . . 4291 1 330 . 1 1 53 53 ASP H H 1 7.086 0.004 . 1 . . . . . . . . 4291 1 331 . 1 1 53 53 ASP HA H 1 4.287 0.002 . 1 . . . . . . . . 4291 1 332 . 1 1 53 53 ASP HB2 H 1 2.087 0.003 . 1 . . . . . . . . 4291 1 333 . 1 1 53 53 ASP HB3 H 1 2.877 0.007 . 1 . . . . . . . . 4291 1 334 . 1 1 54 54 SER H H 1 7.861 0.003 . 1 . . . . . . . . 4291 1 335 . 1 1 54 54 SER HA H 1 4.607 0.003 . 1 . . . . . . . . 4291 1 336 . 1 1 54 54 SER HB2 H 1 3.439 0.003 . 1 . . . . . . . . 4291 1 337 . 1 1 54 54 SER HB3 H 1 3.604 0.004 . 1 . . . . . . . . 4291 1 338 . 1 1 55 55 MET HA H 1 4.817 0.002 . 1 . . . . . . . . 4291 1 339 . 1 1 55 55 MET HB2 H 1 1.972 0.005 . 1 . . . . . . . . 4291 1 340 . 1 1 55 55 MET HB3 H 1 2.952 0.001 . 1 . . . . . . . . 4291 1 341 . 1 1 55 55 MET HG2 H 1 2.278 0.003 . 1 . . . . . . . . 4291 1 342 . 1 1 55 55 MET HG3 H 1 2.401 0.004 . 1 . . . . . . . . 4291 1 343 . 1 1 55 55 MET HE1 H 1 1.681 0.002 . 1 . . . . . . . . 4291 1 344 . 1 1 55 55 MET HE2 H 1 1.681 0.002 . 1 . . . . . . . . 4291 1 345 . 1 1 55 55 MET HE3 H 1 1.681 0.002 . 1 . . . . . . . . 4291 1 346 . 1 1 56 56 ASP H H 1 7.003 0.001 . 1 . . . . . . . . 4291 1 347 . 1 1 56 56 ASP HA H 1 4.659 0.001 . 1 . . . . . . . . 4291 1 348 . 1 1 56 56 ASP HB2 H 1 2.628 0.002 . 1 . . . . . . . . 4291 1 349 . 1 1 56 56 ASP HB3 H 1 2.679 0.001 . 1 . . . . . . . . 4291 1 350 . 1 1 57 57 LYS HA H 1 3.906 0.002 . 1 . . . . . . . . 4291 1 351 . 1 1 57 57 LYS HB2 H 1 1.295 0.003 . 1 . . . . . . . . 4291 1 352 . 1 1 57 57 LYS HB3 H 1 1.023 0.001 . 1 . . . . . . . . 4291 1 353 . 1 1 57 57 LYS HG2 H 1 1.427 0.001 . 1 . . . . . . . . 4291 1 354 . 1 1 57 57 LYS HG3 H 1 1.171 0.001 . 1 . . . . . . . . 4291 1 355 . 1 1 58 58 LYS HA H 1 4.033 0.001 . 1 . . . . . . . . 4291 1 356 . 1 1 58 58 LYS HB2 H 1 1.789 0.001 . 1 . . . . . . . . 4291 1 357 . 1 1 58 58 LYS HB3 H 1 1.789 0.001 . 1 . . . . . . . . 4291 1 358 . 1 1 58 58 LYS HG2 H 1 1.311 0.000 . 1 . . . . . . . . 4291 1 359 . 1 1 58 58 LYS HG3 H 1 1.345 0.001 . 1 . . . . . . . . 4291 1 360 . 1 1 59 59 ASP H H 1 7.647 0.002 . 1 . . . . . . . . 4291 1 361 . 1 1 59 59 ASP HA H 1 4.221 0.003 . 1 . . . . . . . . 4291 1 362 . 1 1 59 59 ASP HB2 H 1 2.455 0.003 . 1 . . . . . . . . 4291 1 363 . 1 1 59 59 ASP HB3 H 1 3.012 0.003 . 1 . . . . . . . . 4291 1 364 . 1 1 60 60 LYS HA H 1 3.749 0.005 . 1 . . . . . . . . 4291 1 365 . 1 1 60 60 LYS HB2 H 1 1.398 0.001 . 1 . . . . . . . . 4291 1 366 . 1 1 60 60 LYS HB3 H 1 1.640 0.003 . 1 . . . . . . . . 4291 1 367 . 1 1 60 60 LYS HG2 H 1 1.300 0.001 . 1 . . . . . . . . 4291 1 368 . 1 1 60 60 LYS HG3 H 1 1.300 0.001 . 1 . . . . . . . . 4291 1 369 . 1 1 60 60 LYS HD2 H 1 1.508 0.004 . 1 . . . . . . . . 4291 1 370 . 1 1 60 60 LYS HD3 H 1 1.508 0.004 . 1 . . . . . . . . 4291 1 371 . 1 1 61 61 SER HA H 1 4.313 0.002 . 1 . . . . . . . . 4291 1 372 . 1 1 61 61 SER HB2 H 1 4.100 0.004 . 1 . . . . . . . . 4291 1 373 . 1 1 61 61 SER HB3 H 1 3.880 0.002 . 1 . . . . . . . . 4291 1 374 . 1 1 62 62 ALA H H 1 8.493 0.002 . 1 . . . . . . . . 4291 1 375 . 1 1 62 62 ALA HA H 1 3.747 0.005 . 1 . . . . . . . . 4291 1 376 . 1 1 62 62 ALA HB1 H 1 1.613 0.004 . 1 . . . . . . . . 4291 1 377 . 1 1 62 62 ALA HB2 H 1 1.613 0.004 . 1 . . . . . . . . 4291 1 378 . 1 1 62 62 ALA HB3 H 1 1.613 0.004 . 1 . . . . . . . . 4291 1 379 . 1 1 63 63 LYS H H 1 7.159 0.003 . 1 . . . . . . . . 4291 1 380 . 1 1 63 63 LYS HA H 1 3.269 0.002 . 1 . . . . . . . . 4291 1 381 . 1 1 63 63 LYS HB2 H 1 1.462 0.008 . 1 . . . . . . . . 4291 1 382 . 1 1 63 63 LYS HB3 H 1 1.462 0.008 . 1 . . . . . . . . 4291 1 383 . 1 1 63 63 LYS HG2 H 1 1.231 0.004 . 1 . . . . . . . . 4291 1 384 . 1 1 63 63 LYS HG3 H 1 1.279 0.010 . 1 . . . . . . . . 4291 1 385 . 1 1 64 64 GLY H H 1 7.487 0.004 . 1 . . . . . . . . 4291 1 386 . 1 1 64 64 GLY HA2 H 1 3.618 0.001 . 1 . . . . . . . . 4291 1 387 . 1 1 64 64 GLY HA3 H 1 3.361 0.003 . 1 . . . . . . . . 4291 1 388 . 1 1 65 65 TYR H H 1 7.771 0.003 . 1 . . . . . . . . 4291 1 389 . 1 1 65 65 TYR HA H 1 3.267 0.003 . 1 . . . . . . . . 4291 1 390 . 1 1 65 65 TYR HB2 H 1 2.585 0.002 . 1 . . . . . . . . 4291 1 391 . 1 1 65 65 TYR HB3 H 1 2.670 0.003 . 1 . . . . . . . . 4291 1 392 . 1 1 65 65 TYR HD1 H 1 6.886 0.002 . 1 . . . . . . . . 4291 1 393 . 1 1 65 65 TYR HE1 H 1 7.056 0.000 . 1 . . . . . . . . 4291 1 394 . 1 1 66 66 TYR H H 1 9.042 0.002 . 1 . . . . . . . . 4291 1 395 . 1 1 66 66 TYR HA H 1 2.763 0.001 . 1 . . . . . . . . 4291 1 396 . 1 1 66 66 TYR HB2 H 1 2.703 0.004 . 1 . . . . . . . . 4291 1 397 . 1 1 66 66 TYR HB3 H 1 2.763 0.002 . 1 . . . . . . . . 4291 1 398 . 1 1 66 66 TYR HD1 H 1 6.033 0.002 . 1 . . . . . . . . 4291 1 399 . 1 1 66 66 TYR HE1 H 1 4.827 0.002 . 1 . . . . . . . . 4291 1 400 . 1 1 67 67 HIS H H 1 8.037 0.002 . 1 . . . . . . . . 4291 1 401 . 1 1 67 67 HIS HA H 1 3.744 0.003 . 1 . . . . . . . . 4291 1 402 . 1 1 67 67 HIS HB2 H 1 3.073 0.004 . 1 . . . . . . . . 4291 1 403 . 1 1 67 67 HIS HB3 H 1 3.073 0.004 . 1 . . . . . . . . 4291 1 404 . 1 1 67 67 HIS HD2 H 1 6.630 0.003 . 1 . . . . . . . . 4291 1 405 . 1 1 67 67 HIS HE1 H 1 8.204 0.005 . 1 . . . . . . . . 4291 1 406 . 1 1 68 68 VAL H H 1 6.860 0.002 . 1 . . . . . . . . 4291 1 407 . 1 1 68 68 VAL HA H 1 3.438 0.001 . 1 . . . . . . . . 4291 1 408 . 1 1 68 68 VAL HB H 1 1.929 0.003 . 1 . . . . . . . . 4291 1 409 . 1 1 68 68 VAL HG11 H 1 0.973 0.002 . 1 . . . . . . . . 4291 1 410 . 1 1 68 68 VAL HG12 H 1 0.973 0.002 . 1 . . . . . . . . 4291 1 411 . 1 1 68 68 VAL HG13 H 1 0.973 0.002 . 1 . . . . . . . . 4291 1 412 . 1 1 68 68 VAL HG21 H 1 0.974 0.003 . 1 . . . . . . . . 4291 1 413 . 1 1 68 68 VAL HG22 H 1 0.974 0.003 . 1 . . . . . . . . 4291 1 414 . 1 1 68 68 VAL HG23 H 1 0.974 0.003 . 1 . . . . . . . . 4291 1 415 . 1 1 69 69 MET H H 1 6.033 0.005 . 1 . . . . . . . . 4291 1 416 . 1 1 69 69 MET HA H 1 4.720 0.003 . 1 . . . . . . . . 4291 1 417 . 1 1 69 69 MET HB2 H 1 0.251 0.004 . 1 . . . . . . . . 4291 1 418 . 1 1 69 69 MET HB3 H 1 0.705 0.004 . 1 . . . . . . . . 4291 1 419 . 1 1 69 69 MET HG2 H 1 2.029 0.003 . 1 . . . . . . . . 4291 1 420 . 1 1 69 69 MET HG3 H 1 2.029 0.003 . 1 . . . . . . . . 4291 1 421 . 1 1 69 69 MET HE1 H 1 1.645 0.005 . 1 . . . . . . . . 4291 1 422 . 1 1 69 69 MET HE2 H 1 1.645 0.005 . 1 . . . . . . . . 4291 1 423 . 1 1 69 69 MET HE3 H 1 1.645 0.005 . 1 . . . . . . . . 4291 1 424 . 1 1 70 70 HIS H H 1 5.850 0.002 . 1 . . . . . . . . 4291 1 425 . 1 1 70 70 HIS HA H 1 2.760 0.002 . 1 . . . . . . . . 4291 1 426 . 1 1 70 70 HIS HB2 H 1 0.402 0.004 . 1 . . . . . . . . 4291 1 427 . 1 1 70 70 HIS HB3 H 1 1.109 0.004 . 1 . . . . . . . . 4291 1 428 . 1 1 70 70 HIS HD1 H 1 7.578 0.003 . 1 . . . . . . . . 4291 1 429 . 1 1 70 70 HIS HD2 H 1 0.251 0.001 . 1 . . . . . . . . 4291 1 430 . 1 1 70 70 HIS HE1 H 1 0.745 0.001 . 1 . . . . . . . . 4291 1 431 . 1 1 71 71 ASP H H 1 7.578 0.003 . 1 . . . . . . . . 4291 1 432 . 1 1 71 71 ASP HA H 1 0.251 0.001 . 1 . . . . . . . . 4291 1 433 . 1 1 71 71 ASP HB2 H 1 0.745 0.001 . 1 . . . . . . . . 4291 1 434 . 1 1 71 71 ASP HB3 H 1 0.745 0.001 . 1 . . . . . . . . 4291 1 435 . 1 1 72 72 LYS HA H 1 4.181 0.002 . 1 . . . . . . . . 4291 1 436 . 1 1 72 72 LYS HB2 H 1 1.860 0.001 . 1 . . . . . . . . 4291 1 437 . 1 1 72 72 LYS HB3 H 1 1.860 0.001 . 1 . . . . . . . . 4291 1 438 . 1 1 72 72 LYS HG2 H 1 1.322 0.002 . 1 . . . . . . . . 4291 1 439 . 1 1 72 72 LYS HG3 H 1 1.181 0.002 . 1 . . . . . . . . 4291 1 440 . 1 1 72 72 LYS HD2 H 1 1.606 0.003 . 1 . . . . . . . . 4291 1 441 . 1 1 72 72 LYS HD3 H 1 1.606 0.003 . 1 . . . . . . . . 4291 1 442 . 1 1 72 72 LYS HE2 H 1 2.861 0.002 . 1 . . . . . . . . 4291 1 443 . 1 1 72 72 LYS HE3 H 1 2.861 0.002 . 1 . . . . . . . . 4291 1 444 . 1 1 73 73 ASN HA H 1 4.810 0.001 . 1 . . . . . . . . 4291 1 445 . 1 1 73 73 ASN HB2 H 1 2.970 0.001 . 1 . . . . . . . . 4291 1 446 . 1 1 73 73 ASN HB3 H 1 2.852 0.001 . 1 . . . . . . . . 4291 1 447 . 1 1 74 74 THR H H 1 7.351 0.001 . 1 . . . . . . . . 4291 1 448 . 1 1 74 74 THR HA H 1 4.508 0.001 . 1 . . . . . . . . 4291 1 449 . 1 1 74 74 THR HB H 1 4.923 0.004 . 1 . . . . . . . . 4291 1 450 . 1 1 74 74 THR HG21 H 1 0.901 0.003 . 1 . . . . . . . . 4291 1 451 . 1 1 74 74 THR HG22 H 1 0.901 0.003 . 1 . . . . . . . . 4291 1 452 . 1 1 74 74 THR HG23 H 1 0.901 0.003 . 1 . . . . . . . . 4291 1 453 . 1 1 75 75 LYS H H 1 9.630 0.003 . 1 . . . . . . . . 4291 1 454 . 1 1 75 75 LYS HA H 1 3.961 0.003 . 1 . . . . . . . . 4291 1 455 . 1 1 75 75 LYS HB2 H 1 1.840 0.004 . 1 . . . . . . . . 4291 1 456 . 1 1 75 75 LYS HB3 H 1 1.482 0.004 . 1 . . . . . . . . 4291 1 457 . 1 1 75 75 LYS HG2 H 1 0.603 0.004 . 1 . . . . . . . . 4291 1 458 . 1 1 75 75 LYS HG3 H 1 0.899 0.006 . 1 . . . . . . . . 4291 1 459 . 1 1 75 75 LYS HD2 H 1 1.374 0.003 . 1 . . . . . . . . 4291 1 460 . 1 1 75 75 LYS HD3 H 1 1.374 0.003 . 1 . . . . . . . . 4291 1 461 . 1 1 75 75 LYS HE2 H 1 2.742 0.001 . 1 . . . . . . . . 4291 1 462 . 1 1 75 75 LYS HE3 H 1 2.742 0.001 . 1 . . . . . . . . 4291 1 463 . 1 1 76 76 PHE H H 1 6.626 0.004 . 1 . . . . . . . . 4291 1 464 . 1 1 76 76 PHE HA H 1 4.843 0.002 . 1 . . . . . . . . 4291 1 465 . 1 1 76 76 PHE HB2 H 1 1.760 0.006 . 1 . . . . . . . . 4291 1 466 . 1 1 76 76 PHE HB3 H 1 2.812 0.004 . 1 . . . . . . . . 4291 1 467 . 1 1 76 76 PHE HD1 H 1 5.767 0.002 . 1 . . . . . . . . 4291 1 468 . 1 1 76 76 PHE HD2 H 1 5.767 0.002 . 1 . . . . . . . . 4291 1 469 . 1 1 76 76 PHE HE1 H 1 6.084 0.002 . 1 . . . . . . . . 4291 1 470 . 1 1 76 76 PHE HE2 H 1 6.084 0.002 . 1 . . . . . . . . 4291 1 471 . 1 1 76 76 PHE HZ H 1 6.461 0.004 . 1 . . . . . . . . 4291 1 472 . 1 1 77 77 LYS H H 1 8.645 0.004 . 1 . . . . . . . . 4291 1 473 . 1 1 77 77 LYS HA H 1 4.566 0.007 . 1 . . . . . . . . 4291 1 474 . 1 1 77 77 LYS HB2 H 1 2.546 0.006 . 1 . . . . . . . . 4291 1 475 . 1 1 77 77 LYS HB3 H 1 2.207 0.005 . 1 . . . . . . . . 4291 1 476 . 1 1 77 77 LYS HG2 H 1 1.901 0.007 . 1 . . . . . . . . 4291 1 477 . 1 1 77 77 LYS HG3 H 1 1.901 0.007 . 1 . . . . . . . . 4291 1 478 . 1 1 77 77 LYS HD2 H 1 2.012 0.006 . 1 . . . . . . . . 4291 1 479 . 1 1 77 77 LYS HD3 H 1 2.012 0.006 . 1 . . . . . . . . 4291 1 480 . 1 1 77 77 LYS HE2 H 1 3.222 0.001 . 1 . . . . . . . . 4291 1 481 . 1 1 77 77 LYS HE3 H 1 3.222 0.001 . 1 . . . . . . . . 4291 1 482 . 1 1 78 78 SER H H 1 8.123 0.006 . 1 . . . . . . . . 4291 1 483 . 1 1 78 78 SER HA H 1 5.745 0.004 . 1 . . . . . . . . 4291 1 484 . 1 1 78 78 SER HB2 H 1 3.732 0.002 . 1 . . . . . . . . 4291 1 485 . 1 1 78 78 SER HB3 H 1 3.818 0.001 . 1 . . . . . . . . 4291 1 486 . 1 1 78 78 SER HG H 1 4.787 0.000 . 1 . . . . . . . . 4291 1 487 . 1 1 79 79 CYS H H 1 7.984 0.003 . 1 . . . . . . . . 4291 1 488 . 1 1 79 79 CYS HA H 1 4.622 0.003 . 1 . . . . . . . . 4291 1 489 . 1 1 79 79 CYS HB2 H 1 2.688 0.003 . 1 . . . . . . . . 4291 1 490 . 1 1 79 79 CYS HB3 H 1 2.346 0.003 . 1 . . . . . . . . 4291 1 491 . 1 1 80 80 VAL H H 1 6.628 0.003 . 1 . . . . . . . . 4291 1 492 . 1 1 80 80 VAL HA H 1 2.417 0.008 . 1 . . . . . . . . 4291 1 493 . 1 1 80 80 VAL HB H 1 1.187 0.004 . 1 . . . . . . . . 4291 1 494 . 1 1 80 80 VAL HG11 H 1 0.537 0.002 . 1 . . . . . . . . 4291 1 495 . 1 1 80 80 VAL HG12 H 1 0.537 0.002 . 1 . . . . . . . . 4291 1 496 . 1 1 80 80 VAL HG13 H 1 0.537 0.002 . 1 . . . . . . . . 4291 1 497 . 1 1 80 80 VAL HG21 H 1 0.041 0.002 . 1 . . . . . . . . 4291 1 498 . 1 1 80 80 VAL HG22 H 1 0.041 0.002 . 1 . . . . . . . . 4291 1 499 . 1 1 80 80 VAL HG23 H 1 0.041 0.002 . 1 . . . . . . . . 4291 1 500 . 1 1 81 81 GLY H H 1 7.781 0.000 . 1 . . . . . . . . 4291 1 501 . 1 1 81 81 GLY HA2 H 1 4.047 0.003 . 1 . . . . . . . . 4291 1 502 . 1 1 81 81 GLY HA3 H 1 3.291 0.007 . 1 . . . . . . . . 4291 1 503 . 1 1 82 82 CYS H H 1 8.464 0.003 . 1 . . . . . . . . 4291 1 504 . 1 1 82 82 CYS HA H 1 4.511 0.002 . 1 . . . . . . . . 4291 1 505 . 1 1 82 82 CYS HB2 H 1 3.605 0.003 . 1 . . . . . . . . 4291 1 506 . 1 1 82 82 CYS HB3 H 1 3.001 0.006 . 1 . . . . . . . . 4291 1 507 . 1 1 83 83 HIS H H 1 7.312 0.002 . 1 . . . . . . . . 4291 1 508 . 1 1 83 83 HIS HA H 1 2.818 0.002 . 1 . . . . . . . . 4291 1 509 . 1 1 83 83 HIS HB2 H 1 1.869 0.005 . 1 . . . . . . . . 4291 1 510 . 1 1 83 83 HIS HB3 H 1 1.471 0.007 . 1 . . . . . . . . 4291 1 511 . 1 1 83 83 HIS HD1 H 1 9.650 0.003 . 1 . . . . . . . . 4291 1 512 . 1 1 83 83 HIS HD2 H 1 1.005 0.004 . 1 . . . . . . . . 4291 1 513 . 1 1 83 83 HIS HE1 H 1 1.438 0.003 . 1 . . . . . . . . 4291 1 514 . 1 1 84 84 VAL H H 1 8.329 0.004 . 1 . . . . . . . . 4291 1 515 . 1 1 84 84 VAL HA H 1 3.394 0.002 . 1 . . . . . . . . 4291 1 516 . 1 1 84 84 VAL HB H 1 2.036 0.004 . 1 . . . . . . . . 4291 1 517 . 1 1 84 84 VAL HG11 H 1 0.899 0.004 . 1 . . . . . . . . 4291 1 518 . 1 1 84 84 VAL HG12 H 1 0.899 0.004 . 1 . . . . . . . . 4291 1 519 . 1 1 84 84 VAL HG13 H 1 0.899 0.004 . 1 . . . . . . . . 4291 1 520 . 1 1 84 84 VAL HG21 H 1 0.988 0.003 . 1 . . . . . . . . 4291 1 521 . 1 1 84 84 VAL HG22 H 1 0.988 0.003 . 1 . . . . . . . . 4291 1 522 . 1 1 84 84 VAL HG23 H 1 0.988 0.003 . 1 . . . . . . . . 4291 1 523 . 1 1 85 85 GLU H H 1 7.119 0.004 . 1 . . . . . . . . 4291 1 524 . 1 1 85 85 GLU HA H 1 4.123 0.002 . 1 . . . . . . . . 4291 1 525 . 1 1 85 85 GLU HB2 H 1 2.312 0.006 . 1 . . . . . . . . 4291 1 526 . 1 1 85 85 GLU HB3 H 1 2.393 0.003 . 1 . . . . . . . . 4291 1 527 . 1 1 85 85 GLU HG2 H 1 2.530 0.003 . 1 . . . . . . . . 4291 1 528 . 1 1 85 85 GLU HG3 H 1 2.352 0.000 . 1 . . . . . . . . 4291 1 529 . 1 1 86 86 VAL H H 1 8.135 0.003 . 1 . . . . . . . . 4291 1 530 . 1 1 86 86 VAL HA H 1 3.744 0.002 . 1 . . . . . . . . 4291 1 531 . 1 1 86 86 VAL HB H 1 1.718 0.003 . 1 . . . . . . . . 4291 1 532 . 1 1 86 86 VAL HG11 H 1 1.028 0.002 . 1 . . . . . . . . 4291 1 533 . 1 1 86 86 VAL HG12 H 1 1.028 0.002 . 1 . . . . . . . . 4291 1 534 . 1 1 86 86 VAL HG13 H 1 1.028 0.002 . 1 . . . . . . . . 4291 1 535 . 1 1 86 86 VAL HG21 H 1 1.447 0.002 . 1 . . . . . . . . 4291 1 536 . 1 1 86 86 VAL HG22 H 1 1.447 0.002 . 1 . . . . . . . . 4291 1 537 . 1 1 86 86 VAL HG23 H 1 1.447 0.002 . 1 . . . . . . . . 4291 1 538 . 1 1 87 87 ALA H H 1 8.364 0.000 . 1 . . . . . . . . 4291 1 539 . 1 1 87 87 ALA HA H 1 3.796 0.003 . 1 . . . . . . . . 4291 1 540 . 1 1 87 87 ALA HB1 H 1 1.103 0.003 . 1 . . . . . . . . 4291 1 541 . 1 1 87 87 ALA HB2 H 1 1.103 0.003 . 1 . . . . . . . . 4291 1 542 . 1 1 87 87 ALA HB3 H 1 1.103 0.003 . 1 . . . . . . . . 4291 1 543 . 1 1 88 88 GLY H H 1 7.220 0.004 . 1 . . . . . . . . 4291 1 544 . 1 1 88 88 GLY HA2 H 1 3.824 0.000 . 1 . . . . . . . . 4291 1 545 . 1 1 88 88 GLY HA3 H 1 3.788 0.002 . 1 . . . . . . . . 4291 1 546 . 1 1 89 89 ALA HA H 1 4.461 0.002 . 1 . . . . . . . . 4291 1 547 . 1 1 89 89 ALA HB1 H 1 1.455 0.001 . 1 . . . . . . . . 4291 1 548 . 1 1 89 89 ALA HB2 H 1 1.455 0.001 . 1 . . . . . . . . 4291 1 549 . 1 1 89 89 ALA HB3 H 1 1.455 0.001 . 1 . . . . . . . . 4291 1 550 . 1 1 90 90 ASP H H 1 7.729 0.001 . 1 . . . . . . . . 4291 1 551 . 1 1 90 90 ASP HA H 1 4.596 0.002 . 1 . . . . . . . . 4291 1 552 . 1 1 90 90 ASP HB2 H 1 2.664 0.005 . 1 . . . . . . . . 4291 1 553 . 1 1 90 90 ASP HB3 H 1 3.195 0.002 . 1 . . . . . . . . 4291 1 554 . 1 1 91 91 ALA HA H 1 3.948 0.003 . 1 . . . . . . . . 4291 1 555 . 1 1 91 91 ALA HB1 H 1 1.537 0.002 . 1 . . . . . . . . 4291 1 556 . 1 1 91 91 ALA HB2 H 1 1.537 0.002 . 1 . . . . . . . . 4291 1 557 . 1 1 91 91 ALA HB3 H 1 1.537 0.002 . 1 . . . . . . . . 4291 1 558 . 1 1 92 92 ALA HA H 1 4.197 0.003 . 1 . . . . . . . . 4291 1 559 . 1 1 92 92 ALA HB1 H 1 1.569 0.002 . 1 . . . . . . . . 4291 1 560 . 1 1 92 92 ALA HB2 H 1 1.569 0.002 . 1 . . . . . . . . 4291 1 561 . 1 1 92 92 ALA HB3 H 1 1.569 0.002 . 1 . . . . . . . . 4291 1 562 . 1 1 93 93 LYS H H 1 8.153 0.004 . 1 . . . . . . . . 4291 1 563 . 1 1 93 93 LYS HA H 1 4.133 0.003 . 1 . . . . . . . . 4291 1 564 . 1 1 93 93 LYS HB2 H 1 1.987 0.003 . 1 . . . . . . . . 4291 1 565 . 1 1 93 93 LYS HB3 H 1 1.651 0.002 . 1 . . . . . . . . 4291 1 566 . 1 1 93 93 LYS HG2 H 1 1.499 0.010 . 1 . . . . . . . . 4291 1 567 . 1 1 93 93 LYS HG3 H 1 1.499 0.010 . 1 . . . . . . . . 4291 1 568 . 1 1 93 93 LYS HD2 H 1 1.786 0.001 . 1 . . . . . . . . 4291 1 569 . 1 1 93 93 LYS HD3 H 1 1.786 0.001 . 1 . . . . . . . . 4291 1 570 . 1 1 93 93 LYS HE2 H 1 3.074 0.007 . 1 . . . . . . . . 4291 1 571 . 1 1 93 93 LYS HE3 H 1 3.074 0.007 . 1 . . . . . . . . 4291 1 572 . 1 1 94 94 LYS H H 1 8.737 0.002 . 1 . . . . . . . . 4291 1 573 . 1 1 94 94 LYS HA H 1 3.534 0.002 . 1 . . . . . . . . 4291 1 574 . 1 1 94 94 LYS HB2 H 1 1.785 0.003 . 1 . . . . . . . . 4291 1 575 . 1 1 94 94 LYS HB3 H 1 1.785 0.003 . 1 . . . . . . . . 4291 1 576 . 1 1 94 94 LYS HG2 H 1 1.233 0.002 . 1 . . . . . . . . 4291 1 577 . 1 1 94 94 LYS HG3 H 1 1.233 0.002 . 1 . . . . . . . . 4291 1 578 . 1 1 94 94 LYS HD2 H 1 1.469 0.008 . 1 . . . . . . . . 4291 1 579 . 1 1 94 94 LYS HD3 H 1 1.469 0.008 . 1 . . . . . . . . 4291 1 580 . 1 1 94 94 LYS HE2 H 1 2.922 0.004 . 1 . . . . . . . . 4291 1 581 . 1 1 94 94 LYS HE3 H 1 2.922 0.004 . 1 . . . . . . . . 4291 1 582 . 1 1 95 95 LYS H H 1 7.743 0.009 . 1 . . . . . . . . 4291 1 583 . 1 1 95 95 LYS HA H 1 4.023 0.003 . 1 . . . . . . . . 4291 1 584 . 1 1 95 95 LYS HB2 H 1 1.982 0.005 . 1 . . . . . . . . 4291 1 585 . 1 1 95 95 LYS HB3 H 1 2.054 0.006 . 1 . . . . . . . . 4291 1 586 . 1 1 95 95 LYS HG2 H 1 1.533 0.002 . 1 . . . . . . . . 4291 1 587 . 1 1 95 95 LYS HG3 H 1 1.646 0.008 . 1 . . . . . . . . 4291 1 588 . 1 1 95 95 LYS HD2 H 1 1.784 0.008 . 1 . . . . . . . . 4291 1 589 . 1 1 95 95 LYS HD3 H 1 1.784 0.008 . 1 . . . . . . . . 4291 1 590 . 1 1 95 95 LYS HE2 H 1 3.075 0.003 . 1 . . . . . . . . 4291 1 591 . 1 1 95 95 LYS HE3 H 1 3.075 0.003 . 1 . . . . . . . . 4291 1 592 . 1 1 96 96 ASP H H 1 7.869 0.003 . 1 . . . . . . . . 4291 1 593 . 1 1 96 96 ASP HA H 1 4.509 0.002 . 1 . . . . . . . . 4291 1 594 . 1 1 96 96 ASP HB2 H 1 2.813 0.003 . 1 . . . . . . . . 4291 1 595 . 1 1 96 96 ASP HB3 H 1 2.509 0.002 . 1 . . . . . . . . 4291 1 596 . 1 1 97 97 LEU H H 1 8.377 0.004 . 1 . . . . . . . . 4291 1 597 . 1 1 97 97 LEU HA H 1 4.126 0.004 . 1 . . . . . . . . 4291 1 598 . 1 1 97 97 LEU HB2 H 1 1.170 0.008 . 1 . . . . . . . . 4291 1 599 . 1 1 97 97 LEU HB3 H 1 0.028 0.005 . 1 . . . . . . . . 4291 1 600 . 1 1 97 97 LEU HG H 1 1.373 0.003 . 1 . . . . . . . . 4291 1 601 . 1 1 97 97 LEU HD11 H 1 0.032 0.004 . 1 . . . . . . . . 4291 1 602 . 1 1 97 97 LEU HD12 H 1 0.032 0.004 . 1 . . . . . . . . 4291 1 603 . 1 1 97 97 LEU HD13 H 1 0.032 0.004 . 1 . . . . . . . . 4291 1 604 . 1 1 97 97 LEU HD21 H 1 -0.150 0.003 . 1 . . . . . . . . 4291 1 605 . 1 1 97 97 LEU HD22 H 1 -0.150 0.003 . 1 . . . . . . . . 4291 1 606 . 1 1 97 97 LEU HD23 H 1 -0.150 0.003 . 1 . . . . . . . . 4291 1 607 . 1 1 98 98 THR H H 1 7.768 0.005 . 1 . . . . . . . . 4291 1 608 . 1 1 98 98 THR HA H 1 5.043 0.005 . 1 . . . . . . . . 4291 1 609 . 1 1 98 98 THR HB H 1 4.409 0.002 . 1 . . . . . . . . 4291 1 610 . 1 1 98 98 THR HG21 H 1 0.762 0.003 . 1 . . . . . . . . 4291 1 611 . 1 1 98 98 THR HG22 H 1 0.762 0.003 . 1 . . . . . . . . 4291 1 612 . 1 1 98 98 THR HG23 H 1 0.762 0.003 . 1 . . . . . . . . 4291 1 613 . 1 1 99 99 GLY H H 1 7.451 0.002 . 1 . . . . . . . . 4291 1 614 . 1 1 99 99 GLY HA2 H 1 4.382 0.003 . 1 . . . . . . . . 4291 1 615 . 1 1 99 99 GLY HA3 H 1 4.559 0.003 . 1 . . . . . . . . 4291 1 616 . 1 1 100 100 CYS H H 1 9.004 0.002 . 1 . . . . . . . . 4291 1 617 . 1 1 100 100 CYS HA H 1 4.755 0.001 . 1 . . . . . . . . 4291 1 618 . 1 1 100 100 CYS HB2 H 1 3.613 0.003 . 1 . . . . . . . . 4291 1 619 . 1 1 100 100 CYS HB3 H 1 2.910 0.006 . 1 . . . . . . . . 4291 1 620 . 1 1 101 101 LYS HA H 1 4.017 0.003 . 1 . . . . . . . . 4291 1 621 . 1 1 101 101 LYS HB2 H 1 1.587 0.011 . 1 . . . . . . . . 4291 1 622 . 1 1 101 101 LYS HB3 H 1 1.494 0.006 . 1 . . . . . . . . 4291 1 623 . 1 1 101 101 LYS HG2 H 1 1.263 0.004 . 1 . . . . . . . . 4291 1 624 . 1 1 101 101 LYS HG3 H 1 1.137 0.002 . 1 . . . . . . . . 4291 1 625 . 1 1 101 101 LYS HD2 H 1 1.497 0.005 . 1 . . . . . . . . 4291 1 626 . 1 1 101 101 LYS HD3 H 1 1.497 0.005 . 1 . . . . . . . . 4291 1 627 . 1 1 101 101 LYS HE2 H 1 2.717 0.001 . 1 . . . . . . . . 4291 1 628 . 1 1 101 101 LYS HE3 H 1 2.845 0.005 . 1 . . . . . . . . 4291 1 629 . 1 1 102 102 LYS H H 1 8.514 0.003 . 1 . . . . . . . . 4291 1 630 . 1 1 102 102 LYS HA H 1 3.955 0.002 . 1 . . . . . . . . 4291 1 631 . 1 1 102 102 LYS HB2 H 1 1.925 0.004 . 1 . . . . . . . . 4291 1 632 . 1 1 102 102 LYS HB3 H 1 1.925 0.004 . 1 . . . . . . . . 4291 1 633 . 1 1 102 102 LYS HG2 H 1 1.358 0.001 . 1 . . . . . . . . 4291 1 634 . 1 1 102 102 LYS HG3 H 1 1.358 0.001 . 1 . . . . . . . . 4291 1 635 . 1 1 102 102 LYS HD2 H 1 1.696 0.004 . 1 . . . . . . . . 4291 1 636 . 1 1 102 102 LYS HD3 H 1 1.696 0.004 . 1 . . . . . . . . 4291 1 637 . 1 1 103 103 SER H H 1 8.399 0.004 . 1 . . . . . . . . 4291 1 638 . 1 1 103 103 SER HA H 1 5.090 0.003 . 1 . . . . . . . . 4291 1 639 . 1 1 103 103 SER HB2 H 1 4.352 0.004 . 1 . . . . . . . . 4291 1 640 . 1 1 103 103 SER HB3 H 1 3.573 0.000 . 1 . . . . . . . . 4291 1 641 . 1 1 103 103 SER HG H 1 4.158 0.002 . 1 . . . . . . . . 4291 1 642 . 1 1 104 104 LYS H H 1 9.678 0.003 . 1 . . . . . . . . 4291 1 643 . 1 1 104 104 LYS HA H 1 4.303 0.005 . 1 . . . . . . . . 4291 1 644 . 1 1 104 104 LYS HB2 H 1 2.128 0.003 . 1 . . . . . . . . 4291 1 645 . 1 1 104 104 LYS HB3 H 1 2.594 0.002 . 1 . . . . . . . . 4291 1 646 . 1 1 104 104 LYS HG2 H 1 1.609 0.003 . 1 . . . . . . . . 4291 1 647 . 1 1 104 104 LYS HG3 H 1 1.805 0.004 . 1 . . . . . . . . 4291 1 648 . 1 1 104 104 LYS HD2 H 1 1.916 0.003 . 1 . . . . . . . . 4291 1 649 . 1 1 104 104 LYS HD3 H 1 2.030 0.001 . 1 . . . . . . . . 4291 1 650 . 1 1 104 104 LYS HE2 H 1 3.050 0.000 . 1 . . . . . . . . 4291 1 651 . 1 1 104 104 LYS HE3 H 1 3.145 0.003 . 1 . . . . . . . . 4291 1 652 . 1 1 105 105 CYS H H 1 6.982 0.001 . 1 . . . . . . . . 4291 1 653 . 1 1 105 105 CYS HA H 1 4.583 0.004 . 1 . . . . . . . . 4291 1 654 . 1 1 105 105 CYS HB2 H 1 1.379 0.004 . 1 . . . . . . . . 4291 1 655 . 1 1 105 105 CYS HB3 H 1 1.317 0.002 . 1 . . . . . . . . 4291 1 656 . 1 1 106 106 HIS H H 1 5.975 0.002 . 1 . . . . . . . . 4291 1 657 . 1 1 106 106 HIS HA H 1 3.854 0.001 . 1 . . . . . . . . 4291 1 658 . 1 1 106 106 HIS HB2 H 1 1.287 0.003 . 1 . . . . . . . . 4291 1 659 . 1 1 106 106 HIS HB3 H 1 1.287 0.003 . 1 . . . . . . . . 4291 1 660 . 1 1 106 106 HIS HD1 H 1 9.354 0.004 . 1 . . . . . . . . 4291 1 661 . 1 1 106 106 HIS HD2 H 1 0.847 0.003 . 1 . . . . . . . . 4291 1 662 . 1 1 106 106 HIS HE1 H 1 2.112 0.004 . 1 . . . . . . . . 4291 1 663 . 1 1 107 107 GLU H H 1 7.841 0.003 . 1 . . . . . . . . 4291 1 664 . 1 1 107 107 GLU HA H 1 3.818 0.002 . 1 . . . . . . . . 4291 1 665 . 1 1 107 107 GLU HB2 H 1 1.754 0.000 . 1 . . . . . . . . 4291 1 666 . 1 1 107 107 GLU HB3 H 1 1.754 0.000 . 1 . . . . . . . . 4291 1 667 . 1 1 107 107 GLU HG2 H 1 2.118 0.001 . 1 . . . . . . . . 4291 1 668 . 1 1 107 107 GLU HG3 H 1 2.118 0.001 . 1 . . . . . . . . 4291 1 stop_ save_