################################### # 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_alashifts_bmrb.txt _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode alashifts_bmrb.txt _Assigned_chem_shift_list.Entry_ID 4570 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 DQF-COSY 1 $sample_1 . 4570 1 2 GE-TOCSY 1 $sample_1 . 4570 1 3 GE-NOESY 1 $sample_1 . 4570 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 4.245 0.01 . 1 . . . . . . . . 4570 1 2 . 1 1 1 1 ALA HB1 H 1 1.482 0.01 . 1 . . . . . . . . 4570 1 3 . 1 1 1 1 ALA HB2 H 1 1.482 0.01 . 1 . . . . . . . . 4570 1 4 . 1 1 1 1 ALA HB3 H 1 1.482 0.01 . 1 . . . . . . . . 4570 1 5 . 1 1 2 2 THR H H 1 8.493 0.01 . 1 . . . . . . . . 4570 1 6 . 1 1 2 2 THR HA H 1 5.027 0.01 . 1 . . . . . . . . 4570 1 7 . 1 1 2 2 THR HB H 1 3.817 0.01 . 1 . . . . . . . . 4570 1 8 . 1 1 3 3 VAL H H 1 8.782 0.01 . 1 . . . . . . . . 4570 1 9 . 1 1 3 3 VAL HA H 1 4.123 0.01 . 1 . . . . . . . . 4570 1 10 . 1 1 3 3 VAL HB H 1 1.430 0.01 . 1 . . . . . . . . 4570 1 11 . 1 1 3 3 VAL HG11 H 1 0.553 0.01 . 2 . . . . . . . . 4570 1 12 . 1 1 3 3 VAL HG12 H 1 0.553 0.01 . 2 . . . . . . . . 4570 1 13 . 1 1 3 3 VAL HG13 H 1 0.553 0.01 . 2 . . . . . . . . 4570 1 14 . 1 1 3 3 VAL HG21 H 1 0.068 0.01 . 2 . . . . . . . . 4570 1 15 . 1 1 3 3 VAL HG22 H 1 0.068 0.01 . 2 . . . . . . . . 4570 1 16 . 1 1 3 3 VAL HG23 H 1 0.068 0.01 . 2 . . . . . . . . 4570 1 17 . 1 1 4 4 LYS H H 1 8.136 0.01 . 1 . . . . . . . . 4570 1 18 . 1 1 4 4 LYS HA H 1 4.689 0.01 . 1 . . . . . . . . 4570 1 19 . 1 1 4 4 LYS HG2 H 1 1.259 0.01 . 2 . . . . . . . . 4570 1 20 . 1 1 4 4 LYS HG3 H 1 1.077 0.01 . 2 . . . . . . . . 4570 1 21 . 1 1 5 5 PHE H H 1 8.516 0.01 . 1 . . . . . . . . 4570 1 22 . 1 1 5 5 PHE HA H 1 4.793 0.01 . 1 . . . . . . . . 4570 1 23 . 1 1 5 5 PHE HB2 H 1 3.070 0.01 . 2 . . . . . . . . 4570 1 24 . 1 1 5 5 PHE HB3 H 1 2.744 0.01 . 2 . . . . . . . . 4570 1 25 . 1 1 5 5 PHE HZ H 1 6.702 0.01 . 1 . . . . . . . . 4570 1 26 . 1 1 5 5 PHE HD1 H 1 6.787 0.01 . 3 . . . . . . . . 4570 1 27 . 1 1 5 5 PHE HE1 H 1 6.688 0.01 . 3 . . . . . . . . 4570 1 28 . 1 1 6 6 LYS H H 1 9.032 0.01 . 1 . . . . . . . . 4570 1 29 . 1 1 6 6 LYS HA H 1 5.333 0.01 . 1 . . . . . . . . 4570 1 30 . 1 1 6 6 LYS HG2 H 1 1.453 0.01 . 2 . . . . . . . . 4570 1 31 . 1 1 6 6 LYS HG3 H 1 1.359 0.01 . 2 . . . . . . . . 4570 1 32 . 1 1 7 7 TYR H H 1 8.842 0.01 . 1 . . . . . . . . 4570 1 33 . 1 1 7 7 TYR HA H 1 4.709 0.01 . 1 . . . . . . . . 4570 1 34 . 1 1 7 7 TYR HB2 H 1 3.361 0.01 . 2 . . . . . . . . 4570 1 35 . 1 1 7 7 TYR HB3 H 1 3.009 0.01 . 2 . . . . . . . . 4570 1 36 . 1 1 7 7 TYR HD1 H 1 7.234 0.01 . 3 . . . . . . . . 4570 1 37 . 1 1 7 7 TYR HE1 H 1 6.874 0.01 . 3 . . . . . . . . 4570 1 38 . 1 1 8 8 LYS H H 1 9.159 0.01 . 1 . . . . . . . . 4570 1 39 . 1 1 8 8 LYS HA H 1 3.698 0.01 . 1 . . . . . . . . 4570 1 40 . 1 1 8 8 LYS HG2 H 1 0.865 0.01 . 2 . . . . . . . . 4570 1 41 . 1 1 8 8 LYS HG3 H 1 0.593 0.01 . 2 . . . . . . . . 4570 1 42 . 1 1 9 9 GLY H H 1 8.564 0.01 . 1 . . . . . . . . 4570 1 43 . 1 1 9 9 GLY HA2 H 1 4.167 0.01 . 2 . . . . . . . . 4570 1 44 . 1 1 9 9 GLY HA3 H 1 3.697 0.01 . 2 . . . . . . . . 4570 1 45 . 1 1 10 10 GLU H H 1 7.983 0.01 . 1 . . . . . . . . 4570 1 46 . 1 1 10 10 GLU HA H 1 4.708 0.01 . 1 . . . . . . . . 4570 1 47 . 1 1 10 10 GLU HB2 H 1 2.241 0.01 . 2 . . . . . . . . 4570 1 48 . 1 1 10 10 GLU HB3 H 1 2.132 0.01 . 2 . . . . . . . . 4570 1 49 . 1 1 11 11 GLU H H 1 8.898 0.01 . 1 . . . . . . . . 4570 1 50 . 1 1 11 11 GLU HA H 1 5.269 0.01 . 1 . . . . . . . . 4570 1 51 . 1 1 11 11 GLU HB2 H 1 2.023 0.01 . 2 . . . . . . . . 4570 1 52 . 1 1 11 11 GLU HB3 H 1 1.916 0.01 . 2 . . . . . . . . 4570 1 53 . 1 1 12 12 LYS H H 1 9.026 0.01 . 1 . . . . . . . . 4570 1 54 . 1 1 12 12 LYS HA H 1 4.618 0.01 . 1 . . . . . . . . 4570 1 55 . 1 1 13 13 GLN H H 1 8.650 0.01 . 1 . . . . . . . . 4570 1 56 . 1 1 13 13 GLN HA H 1 4.848 0.01 . 1 . . . . . . . . 4570 1 57 . 1 1 13 13 GLN HB2 H 1 2.063 0.01 . 2 . . . . . . . . 4570 1 58 . 1 1 13 13 GLN HB3 H 1 1.877 0.01 . 2 . . . . . . . . 4570 1 59 . 1 1 14 14 VAL H H 1 8.927 0.01 . 1 . . . . . . . . 4570 1 60 . 1 1 14 14 VAL HA H 1 4.120 0.01 . 1 . . . . . . . . 4570 1 61 . 1 1 14 14 VAL HB H 1 1.477 0.01 . 1 . . . . . . . . 4570 1 62 . 1 1 14 14 VAL HG11 H 1 0.422 0.01 . 2 . . . . . . . . 4570 1 63 . 1 1 14 14 VAL HG12 H 1 0.422 0.01 . 2 . . . . . . . . 4570 1 64 . 1 1 14 14 VAL HG13 H 1 0.422 0.01 . 2 . . . . . . . . 4570 1 65 . 1 1 14 14 VAL HG21 H 1 0.128 0.01 . 2 . . . . . . . . 4570 1 66 . 1 1 14 14 VAL HG22 H 1 0.128 0.01 . 2 . . . . . . . . 4570 1 67 . 1 1 14 14 VAL HG23 H 1 0.128 0.01 . 2 . . . . . . . . 4570 1 68 . 1 1 15 15 ASP H H 1 8.741 0.01 . 1 . . . . . . . . 4570 1 69 . 1 1 15 15 ASP HA H 1 4.629 0.01 . 1 . . . . . . . . 4570 1 70 . 1 1 15 15 ASP HB2 H 1 2.616 0.01 . 2 . . . . . . . . 4570 1 71 . 1 1 15 15 ASP HB3 H 1 2.594 0.01 . 2 . . . . . . . . 4570 1 72 . 1 1 16 16 ILE H H 1 8.384 0.01 . 1 . . . . . . . . 4570 1 73 . 1 1 16 16 ILE HA H 1 3.775 0.01 . 1 . . . . . . . . 4570 1 74 . 1 1 16 16 ILE HB H 1 1.856 0.01 . 1 . . . . . . . . 4570 1 75 . 1 1 16 16 ILE HG12 H 1 1.460 0.01 . 2 . . . . . . . . 4570 1 76 . 1 1 16 16 ILE HG13 H 1 1.171 0.01 . 2 . . . . . . . . 4570 1 77 . 1 1 16 16 ILE HG21 H 1 0.890 0.01 . 1 . . . . . . . . 4570 1 78 . 1 1 16 16 ILE HG22 H 1 0.890 0.01 . 1 . . . . . . . . 4570 1 79 . 1 1 16 16 ILE HG23 H 1 0.890 0.01 . 1 . . . . . . . . 4570 1 80 . 1 1 16 16 ILE HD11 H 1 0.672 0.01 . 1 . . . . . . . . 4570 1 81 . 1 1 16 16 ILE HD12 H 1 0.672 0.01 . 1 . . . . . . . . 4570 1 82 . 1 1 16 16 ILE HD13 H 1 0.672 0.01 . 1 . . . . . . . . 4570 1 83 . 1 1 17 17 SER H H 1 8.915 0.01 . 1 . . . . . . . . 4570 1 84 . 1 1 17 17 SER HA H 1 4.294 0.01 . 1 . . . . . . . . 4570 1 85 . 1 1 18 18 LYS H H 1 8.118 0.01 . 1 . . . . . . . . 4570 1 86 . 1 1 18 18 LYS HA H 1 4.572 0.01 . 1 . . . . . . . . 4570 1 87 . 1 1 18 18 LYS HB2 H 1 2.470 0.01 . 2 . . . . . . . . 4570 1 88 . 1 1 18 18 LYS HB3 H 1 2.024 0.01 . 2 . . . . . . . . 4570 1 89 . 1 1 18 18 LYS HG2 H 1 1.703 0.01 . 2 . . . . . . . . 4570 1 90 . 1 1 18 18 LYS HG3 H 1 1.504 0.01 . 2 . . . . . . . . 4570 1 91 . 1 1 19 19 ILE H H 1 7.495 0.01 . 1 . . . . . . . . 4570 1 92 . 1 1 19 19 ILE HA H 1 4.043 0.01 . 1 . . . . . . . . 4570 1 93 . 1 1 19 19 ILE HB H 1 2.071 0.01 . 1 . . . . . . . . 4570 1 94 . 1 1 19 19 ILE HG12 H 1 1.725 0.01 . 2 . . . . . . . . 4570 1 95 . 1 1 19 19 ILE HG13 H 1 1.272 0.01 . 2 . . . . . . . . 4570 1 96 . 1 1 19 19 ILE HG21 H 1 0.956 0.01 . 1 . . . . . . . . 4570 1 97 . 1 1 19 19 ILE HG22 H 1 0.956 0.01 . 1 . . . . . . . . 4570 1 98 . 1 1 19 19 ILE HG23 H 1 0.956 0.01 . 1 . . . . . . . . 4570 1 99 . 1 1 19 19 ILE HD11 H 1 0.890 0.01 . 1 . . . . . . . . 4570 1 100 . 1 1 19 19 ILE HD12 H 1 0.890 0.01 . 1 . . . . . . . . 4570 1 101 . 1 1 19 19 ILE HD13 H 1 0.890 0.01 . 1 . . . . . . . . 4570 1 102 . 1 1 20 20 LYS H H 1 9.067 0.01 . 1 . . . . . . . . 4570 1 103 . 1 1 20 20 LYS HA H 1 4.522 0.01 . 1 . . . . . . . . 4570 1 104 . 1 1 21 21 LYS H H 1 7.531 0.01 . 1 . . . . . . . . 4570 1 105 . 1 1 21 21 LYS HA H 1 4.747 0.01 . 1 . . . . . . . . 4570 1 106 . 1 1 22 22 VAL H H 1 8.404 0.01 . 1 . . . . . . . . 4570 1 107 . 1 1 22 22 VAL HA H 1 5.428 0.01 . 1 . . . . . . . . 4570 1 108 . 1 1 22 22 VAL HB H 1 1.896 0.01 . 1 . . . . . . . . 4570 1 109 . 1 1 23 23 TRP H H 1 9.231 0.01 . 1 . . . . . . . . 4570 1 110 . 1 1 23 23 TRP HA H 1 4.960 0.01 . 1 . . . . . . . . 4570 1 111 . 1 1 23 23 TRP HB2 H 1 3.506 0.01 . 2 . . . . . . . . 4570 1 112 . 1 1 23 23 TRP HB3 H 1 3.237 0.01 . 2 . . . . . . . . 4570 1 113 . 1 1 23 23 TRP HD1 H 1 7.012 0.01 . 1 . . . . . . . . 4570 1 114 . 1 1 23 23 TRP HE3 H 1 7.204 0.01 . 1 . . . . . . . . 4570 1 115 . 1 1 23 23 TRP HZ3 H 1 6.907 0.01 . 1 . . . . . . . . 4570 1 116 . 1 1 23 23 TRP HH2 H 1 6.907 0.01 . 1 . . . . . . . . 4570 1 117 . 1 1 23 23 TRP HZ2 H 1 7.363 0.01 . 1 . . . . . . . . 4570 1 118 . 1 1 24 24 ARG H H 1 8.853 0.01 . 1 . . . . . . . . 4570 1 119 . 1 1 24 24 ARG HA H 1 4.942 0.01 . 1 . . . . . . . . 4570 1 120 . 1 1 24 24 ARG HB2 H 1 1.875 0.01 . 2 . . . . . . . . 4570 1 121 . 1 1 24 24 ARG HB3 H 1 1.744 0.01 . 2 . . . . . . . . 4570 1 122 . 1 1 24 24 ARG HG2 H 1 1.625 0.01 . 2 . . . . . . . . 4570 1 123 . 1 1 24 24 ARG HG3 H 1 1.532 0.01 . 2 . . . . . . . . 4570 1 124 . 1 1 24 24 ARG HD2 H 1 3.315 0.01 . 2 . . . . . . . . 4570 1 125 . 1 1 24 24 ARG HD3 H 1 3.236 0.01 . 2 . . . . . . . . 4570 1 126 . 1 1 24 24 ARG HE H 1 7.646 0.01 . 1 . . . . . . . . 4570 1 127 . 1 1 25 25 VAL H H 1 8.681 0.01 . 1 . . . . . . . . 4570 1 128 . 1 1 25 25 VAL HA H 1 4.264 0.01 . 1 . . . . . . . . 4570 1 129 . 1 1 25 25 VAL HB H 1 2.047 0.01 . 1 . . . . . . . . 4570 1 130 . 1 1 25 25 VAL HG11 H 1 1.031 0.01 . 2 . . . . . . . . 4570 1 131 . 1 1 25 25 VAL HG12 H 1 1.031 0.01 . 2 . . . . . . . . 4570 1 132 . 1 1 25 25 VAL HG13 H 1 1.031 0.01 . 2 . . . . . . . . 4570 1 133 . 1 1 25 25 VAL HG21 H 1 0.979 0.01 . 2 . . . . . . . . 4570 1 134 . 1 1 25 25 VAL HG22 H 1 0.979 0.01 . 2 . . . . . . . . 4570 1 135 . 1 1 25 25 VAL HG23 H 1 0.979 0.01 . 2 . . . . . . . . 4570 1 136 . 1 1 26 26 GLY H H 1 9.175 0.01 . 1 . . . . . . . . 4570 1 137 . 1 1 26 26 GLY HA2 H 1 4.036 0.01 . 2 . . . . . . . . 4570 1 138 . 1 1 26 26 GLY HA3 H 1 3.715 0.01 . 2 . . . . . . . . 4570 1 139 . 1 1 27 27 LYS H H 1 8.933 0.01 . 1 . . . . . . . . 4570 1 140 . 1 1 27 27 LYS HA H 1 4.457 0.01 . 1 . . . . . . . . 4570 1 141 . 1 1 28 28 MET H H 1 8.169 0.01 . 1 . . . . . . . . 4570 1 142 . 1 1 28 28 MET HA H 1 5.042 0.01 . 1 . . . . . . . . 4570 1 143 . 1 1 28 28 MET HB2 H 1 2.221 0.01 . 2 . . . . . . . . 4570 1 144 . 1 1 28 28 MET HB3 H 1 1.843 0.01 . 2 . . . . . . . . 4570 1 145 . 1 1 28 28 MET HG2 H 1 2.664 0.01 . 2 . . . . . . . . 4570 1 146 . 1 1 28 28 MET HG3 H 1 2.502 0.01 . 2 . . . . . . . . 4570 1 147 . 1 1 29 29 ILE H H 1 9.285 0.01 . 1 . . . . . . . . 4570 1 148 . 1 1 29 29 ILE HA H 1 4.474 0.01 . 1 . . . . . . . . 4570 1 149 . 1 1 29 29 ILE HB H 1 1.954 0.01 . 1 . . . . . . . . 4570 1 150 . 1 1 29 29 ILE HG12 H 1 1.325 0.01 . 2 . . . . . . . . 4570 1 151 . 1 1 29 29 ILE HG13 H 1 1.100 0.01 . 2 . . . . . . . . 4570 1 152 . 1 1 29 29 ILE HG21 H 1 0.744 0.01 . 1 . . . . . . . . 4570 1 153 . 1 1 29 29 ILE HG22 H 1 0.744 0.01 . 1 . . . . . . . . 4570 1 154 . 1 1 29 29 ILE HG23 H 1 0.744 0.01 . 1 . . . . . . . . 4570 1 155 . 1 1 29 29 ILE HD11 H 1 0.725 0.01 . 1 . . . . . . . . 4570 1 156 . 1 1 29 29 ILE HD12 H 1 0.725 0.01 . 1 . . . . . . . . 4570 1 157 . 1 1 29 29 ILE HD13 H 1 0.725 0.01 . 1 . . . . . . . . 4570 1 158 . 1 1 30 30 SER H H 1 8.808 0.01 . 1 . . . . . . . . 4570 1 159 . 1 1 30 30 SER HA H 1 4.975 0.01 . 1 . . . . . . . . 4570 1 160 . 1 1 30 30 SER HB2 H 1 2.500 0.01 . 2 . . . . . . . . 4570 1 161 . 1 1 30 30 SER HB3 H 1 2.229 0.01 . 2 . . . . . . . . 4570 1 162 . 1 1 31 31 ALA H H 1 8.282 0.01 . 1 . . . . . . . . 4570 1 163 . 1 1 31 31 ALA HA H 1 5.445 0.01 . 1 . . . . . . . . 4570 1 164 . 1 1 31 31 ALA HB1 H 1 1.229 0.01 . 1 . . . . . . . . 4570 1 165 . 1 1 31 31 ALA HB2 H 1 1.229 0.01 . 1 . . . . . . . . 4570 1 166 . 1 1 31 31 ALA HB3 H 1 1.229 0.01 . 1 . . . . . . . . 4570 1 167 . 1 1 32 32 THR H H 1 8.813 0.01 . 1 . . . . . . . . 4570 1 168 . 1 1 32 32 THR HA H 1 5.309 0.01 . 1 . . . . . . . . 4570 1 169 . 1 1 32 32 THR HB H 1 4.153 0.01 . 1 . . . . . . . . 4570 1 170 . 1 1 33 33 TYR H H 1 8.205 0.01 . 1 . . . . . . . . 4570 1 171 . 1 1 33 33 TYR HA H 1 5.342 0.01 . 1 . . . . . . . . 4570 1 172 . 1 1 33 33 TYR HB2 H 1 2.715 0.01 . 2 . . . . . . . . 4570 1 173 . 1 1 33 33 TYR HB3 H 1 2.595 0.01 . 2 . . . . . . . . 4570 1 174 . 1 1 33 33 TYR HD1 H 1 6.291 0.01 . 3 . . . . . . . . 4570 1 175 . 1 1 33 33 TYR HE1 H 1 6.185 0.01 . 3 . . . . . . . . 4570 1 176 . 1 1 34 34 ASP H H 1 8.869 0.01 . 1 . . . . . . . . 4570 1 177 . 1 1 34 34 ASP HA H 1 4.790 0.01 . 1 . . . . . . . . 4570 1 178 . 1 1 34 34 ASP HB2 H 1 2.964 0.01 . 2 . . . . . . . . 4570 1 179 . 1 1 34 34 ASP HB3 H 1 2.689 0.01 . 2 . . . . . . . . 4570 1 180 . 1 1 35 35 GLU H H 1 8.529 0.01 . 1 . . . . . . . . 4570 1 181 . 1 1 35 35 GLU HA H 1 4.563 0.01 . 1 . . . . . . . . 4570 1 182 . 1 1 36 36 GLY H H 1 8.558 0.01 . 1 . . . . . . . . 4570 1 183 . 1 1 36 36 GLY HA2 H 1 4.476 0.01 . 2 . . . . . . . . 4570 1 184 . 1 1 36 36 GLY HA3 H 1 3.855 0.01 . 2 . . . . . . . . 4570 1 185 . 1 1 37 37 GLY H H 1 8.867 0.01 . 1 . . . . . . . . 4570 1 186 . 1 1 38 38 GLY H H 1 9.018 0.01 . 1 . . . . . . . . 4570 1 187 . 1 1 38 38 GLY HA2 H 1 4.173 0.01 . 2 . . . . . . . . 4570 1 188 . 1 1 38 38 GLY HA3 H 1 3.687 0.01 . 2 . . . . . . . . 4570 1 189 . 1 1 39 39 LYS H H 1 7.539 0.01 . 1 . . . . . . . . 4570 1 190 . 1 1 39 39 LYS HA H 1 4.484 0.01 . 1 . . . . . . . . 4570 1 191 . 1 1 40 40 THR H H 1 8.625 0.01 . 1 . . . . . . . . 4570 1 192 . 1 1 40 40 THR HA H 1 4.885 0.01 . 1 . . . . . . . . 4570 1 193 . 1 1 40 40 THR HB H 1 3.921 0.01 . 1 . . . . . . . . 4570 1 194 . 1 1 41 41 GLY H H 1 8.713 0.01 . 1 . . . . . . . . 4570 1 195 . 1 1 41 41 GLY HA2 H 1 4.100 0.01 . 2 . . . . . . . . 4570 1 196 . 1 1 41 41 GLY HA3 H 1 2.706 0.01 . 2 . . . . . . . . 4570 1 197 . 1 1 42 42 ARG H H 1 7.658 0.01 . 1 . . . . . . . . 4570 1 198 . 1 1 42 42 ARG HA H 1 5.075 0.01 . 1 . . . . . . . . 4570 1 199 . 1 1 42 42 ARG HB2 H 1 1.579 0.01 . 2 . . . . . . . . 4570 1 200 . 1 1 42 42 ARG HB3 H 1 1.414 0.01 . 2 . . . . . . . . 4570 1 201 . 1 1 42 42 ARG HG2 H 1 1.325 0.01 . 2 . . . . . . . . 4570 1 202 . 1 1 42 42 ARG HG3 H 1 1.189 0.01 . 2 . . . . . . . . 4570 1 203 . 1 1 42 42 ARG HE H 1 7.115 0.01 . 1 . . . . . . . . 4570 1 204 . 1 1 43 43 GLY H H 1 8.132 0.01 . 1 . . . . . . . . 4570 1 205 . 1 1 43 43 GLY HA2 H 1 4.261 0.01 . 2 . . . . . . . . 4570 1 206 . 1 1 43 43 GLY HA3 H 1 3.442 0.01 . 2 . . . . . . . . 4570 1 207 . 1 1 44 44 ALA H H 1 8.415 0.01 . 1 . . . . . . . . 4570 1 208 . 1 1 44 44 ALA HA H 1 5.792 0.01 . 1 . . . . . . . . 4570 1 209 . 1 1 44 44 ALA HB1 H 1 1.390 0.01 . 1 . . . . . . . . 4570 1 210 . 1 1 44 44 ALA HB2 H 1 1.390 0.01 . 1 . . . . . . . . 4570 1 211 . 1 1 44 44 ALA HB3 H 1 1.390 0.01 . 1 . . . . . . . . 4570 1 212 . 1 1 45 45 VAL H H 1 9.385 0.01 . 1 . . . . . . . . 4570 1 213 . 1 1 45 45 VAL HA H 1 4.712 0.01 . 1 . . . . . . . . 4570 1 214 . 1 1 45 45 VAL HB H 1 2.079 0.01 . 1 . . . . . . . . 4570 1 215 . 1 1 45 45 VAL HG11 H 1 1.007 0.01 . 2 . . . . . . . . 4570 1 216 . 1 1 45 45 VAL HG12 H 1 1.007 0.01 . 2 . . . . . . . . 4570 1 217 . 1 1 45 45 VAL HG13 H 1 1.007 0.01 . 2 . . . . . . . . 4570 1 218 . 1 1 45 45 VAL HG21 H 1 0.745 0.01 . 2 . . . . . . . . 4570 1 219 . 1 1 45 45 VAL HG22 H 1 0.745 0.01 . 2 . . . . . . . . 4570 1 220 . 1 1 45 45 VAL HG23 H 1 0.745 0.01 . 2 . . . . . . . . 4570 1 221 . 1 1 46 46 SER H H 1 9.025 0.01 . 1 . . . . . . . . 4570 1 222 . 1 1 46 46 SER HA H 1 4.911 0.01 . 1 . . . . . . . . 4570 1 223 . 1 1 46 46 SER HB2 H 1 4.152 0.01 . 2 . . . . . . . . 4570 1 224 . 1 1 46 46 SER HB3 H 1 3.972 0.01 . 2 . . . . . . . . 4570 1 225 . 1 1 47 47 GLU H H 1 8.767 0.01 . 1 . . . . . . . . 4570 1 226 . 1 1 47 47 GLU HA H 1 3.862 0.01 . 1 . . . . . . . . 4570 1 227 . 1 1 47 47 GLU HG2 H 1 2.345 0.01 . 2 . . . . . . . . 4570 1 228 . 1 1 47 47 GLU HG3 H 1 2.177 0.01 . 2 . . . . . . . . 4570 1 229 . 1 1 48 48 LYS H H 1 8.077 0.01 . 1 . . . . . . . . 4570 1 230 . 1 1 48 48 LYS HA H 1 4.142 0.01 . 1 . . . . . . . . 4570 1 231 . 1 1 49 49 ASP H H 1 7.531 0.01 . 1 . . . . . . . . 4570 1 232 . 1 1 49 49 ASP HA H 1 4.735 0.01 . 1 . . . . . . . . 4570 1 233 . 1 1 49 49 ASP HB2 H 1 2.888 0.01 . 2 . . . . . . . . 4570 1 234 . 1 1 49 49 ASP HB3 H 1 2.556 0.01 . 2 . . . . . . . . 4570 1 235 . 1 1 50 50 ALA H H 1 7.450 0.01 . 1 . . . . . . . . 4570 1 236 . 1 1 50 50 ALA HA H 1 4.323 0.01 . 1 . . . . . . . . 4570 1 237 . 1 1 50 50 ALA HB1 H 1 1.322 0.01 . 1 . . . . . . . . 4570 1 238 . 1 1 50 50 ALA HB2 H 1 1.322 0.01 . 1 . . . . . . . . 4570 1 239 . 1 1 50 50 ALA HB3 H 1 1.322 0.01 . 1 . . . . . . . . 4570 1 240 . 1 1 51 51 PRO HA H 1 4.716 0.01 . 1 . . . . . . . . 4570 1 241 . 1 1 51 51 PRO HB2 H 1 2.516 0.01 . 2 . . . . . . . . 4570 1 242 . 1 1 51 51 PRO HB3 H 1 2.184 0.01 . 2 . . . . . . . . 4570 1 243 . 1 1 51 51 PRO HG2 H 1 2.228 0.01 . 2 . . . . . . . . 4570 1 244 . 1 1 51 51 PRO HG3 H 1 1.860 0.01 . 2 . . . . . . . . 4570 1 245 . 1 1 51 51 PRO HD2 H 1 4.098 0.01 . 2 . . . . . . . . 4570 1 246 . 1 1 51 51 PRO HD3 H 1 3.387 0.01 . 2 . . . . . . . . 4570 1 247 . 1 1 52 52 LYS H H 1 9.105 0.01 . 1 . . . . . . . . 4570 1 248 . 1 1 52 52 LYS HA H 1 3.923 0.01 . 1 . . . . . . . . 4570 1 249 . 1 1 52 52 LYS HB2 H 1 1.930 0.01 . 2 . . . . . . . . 4570 1 250 . 1 1 52 52 LYS HB3 H 1 1.802 0.01 . 2 . . . . . . . . 4570 1 251 . 1 1 53 53 GLU H H 1 9.846 0.01 . 1 . . . . . . . . 4570 1 252 . 1 1 53 53 GLU HA H 1 3.976 0.01 . 1 . . . . . . . . 4570 1 253 . 1 1 53 53 GLU HB2 H 1 1.899 0.01 . 2 . . . . . . . . 4570 1 254 . 1 1 53 53 GLU HB3 H 1 1.797 0.01 . 2 . . . . . . . . 4570 1 255 . 1 1 53 53 GLU HG2 H 1 2.503 0.01 . 2 . . . . . . . . 4570 1 256 . 1 1 53 53 GLU HG3 H 1 2.274 0.01 . 2 . . . . . . . . 4570 1 257 . 1 1 54 54 LEU H H 1 7.426 0.01 . 1 . . . . . . . . 4570 1 258 . 1 1 54 54 LEU HA H 1 4.312 0.01 . 1 . . . . . . . . 4570 1 259 . 1 1 54 54 LEU HB2 H 1 1.961 0.01 . 2 . . . . . . . . 4570 1 260 . 1 1 54 54 LEU HB3 H 1 1.198 0.01 . 2 . . . . . . . . 4570 1 261 . 1 1 54 54 LEU HG H 1 1.617 0.01 . 1 . . . . . . . . 4570 1 262 . 1 1 54 54 LEU HD11 H 1 1.033 0.01 . 2 . . . . . . . . 4570 1 263 . 1 1 54 54 LEU HD12 H 1 1.033 0.01 . 2 . . . . . . . . 4570 1 264 . 1 1 54 54 LEU HD13 H 1 1.033 0.01 . 2 . . . . . . . . 4570 1 265 . 1 1 54 54 LEU HD21 H 1 0.866 0.01 . 2 . . . . . . . . 4570 1 266 . 1 1 54 54 LEU HD22 H 1 0.866 0.01 . 2 . . . . . . . . 4570 1 267 . 1 1 54 54 LEU HD23 H 1 0.866 0.01 . 2 . . . . . . . . 4570 1 268 . 1 1 55 55 LEU H H 1 7.361 0.01 . 1 . . . . . . . . 4570 1 269 . 1 1 55 55 LEU HA H 1 3.955 0.01 . 1 . . . . . . . . 4570 1 270 . 1 1 55 55 LEU HG H 1 1.582 0.01 . 1 . . . . . . . . 4570 1 271 . 1 1 55 55 LEU HD11 H 1 0.938 0.01 . 2 . . . . . . . . 4570 1 272 . 1 1 55 55 LEU HD12 H 1 0.938 0.01 . 2 . . . . . . . . 4570 1 273 . 1 1 55 55 LEU HD13 H 1 0.938 0.01 . 2 . . . . . . . . 4570 1 274 . 1 1 55 55 LEU HD21 H 1 0.802 0.01 . 2 . . . . . . . . 4570 1 275 . 1 1 55 55 LEU HD22 H 1 0.802 0.01 . 2 . . . . . . . . 4570 1 276 . 1 1 55 55 LEU HD23 H 1 0.802 0.01 . 2 . . . . . . . . 4570 1 277 . 1 1 56 56 GLN H H 1 8.268 0.01 . 1 . . . . . . . . 4570 1 278 . 1 1 56 56 GLN HA H 1 4.092 0.01 . 1 . . . . . . . . 4570 1 279 . 1 1 57 57 MET H H 1 7.437 0.01 . 1 . . . . . . . . 4570 1 280 . 1 1 57 57 MET HA H 1 4.136 0.01 . 1 . . . . . . . . 4570 1 281 . 1 1 57 57 MET HG2 H 1 2.918 0.01 . 2 . . . . . . . . 4570 1 282 . 1 1 57 57 MET HG3 H 1 2.547 0.01 . 2 . . . . . . . . 4570 1 283 . 1 1 58 58 LEU H H 1 7.492 0.01 . 1 . . . . . . . . 4570 1 284 . 1 1 58 58 LEU HA H 1 4.114 0.01 . 1 . . . . . . . . 4570 1 285 . 1 1 58 58 LEU HG H 1 1.701 0.01 . 1 . . . . . . . . 4570 1 286 . 1 1 59 59 GLU H H 1 7.838 0.01 . 1 . . . . . . . . 4570 1 287 . 1 1 59 59 GLU HA H 1 4.239 0.01 . 1 . . . . . . . . 4570 1 288 . 1 1 59 59 GLU HB2 H 1 2.139 0.01 . 2 . . . . . . . . 4570 1 289 . 1 1 59 59 GLU HB3 H 1 2.065 0.01 . 2 . . . . . . . . 4570 1 290 . 1 1 59 59 GLU HG2 H 1 2.416 0.01 . 2 . . . . . . . . 4570 1 291 . 1 1 59 59 GLU HG3 H 1 2.362 0.01 . 2 . . . . . . . . 4570 1 292 . 1 1 60 60 LYS H H 1 7.901 0.01 . 1 . . . . . . . . 4570 1 293 . 1 1 60 60 LYS HA H 1 4.340 0.01 . 1 . . . . . . . . 4570 1 294 . 1 1 60 60 LYS HB2 H 1 1.954 0.01 . 2 . . . . . . . . 4570 1 295 . 1 1 60 60 LYS HB3 H 1 1.862 0.01 . 2 . . . . . . . . 4570 1 296 . 1 1 61 61 GLN H H 1 8.091 0.01 . 1 . . . . . . . . 4570 1 297 . 1 1 61 61 GLN HA H 1 4.378 0.01 . 1 . . . . . . . . 4570 1 298 . 1 1 61 61 GLN HB2 H 1 2.279 0.01 . 2 . . . . . . . . 4570 1 299 . 1 1 61 61 GLN HB3 H 1 2.098 0.01 . 2 . . . . . . . . 4570 1 300 . 1 1 62 62 LYS H H 1 7.953 0.01 . 1 . . . . . . . . 4570 1 301 . 1 1 62 62 LYS HA H 1 4.198 0.01 . 1 . . . . . . . . 4570 1 302 . 1 1 62 62 LYS HB2 H 1 1.867 0.01 . 2 . . . . . . . . 4570 1 303 . 1 1 62 62 LYS HB3 H 1 1.790 0.01 . 2 . . . . . . . . 4570 1 stop_ save_