################################### # 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 25646 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 3 '3D CBCA(CO)NH' . . . 25646 1 4 '3D HNCA' . . . 25646 1 5 '3D HNCO' . . . 25646 1 6 '3D HNCACB' . . . 25646 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CARA . . 25646 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 13 13 LEU HB2 H 1 1.598 0.020 . 1 . . . . 239 LEU HB2 . 25646 1 2 . 1 1 13 13 LEU HB3 H 1 1.598 0.020 . 1 . . . . 239 LEU HB3 . 25646 1 3 . 1 1 13 13 LEU HD11 H 1 0.928 0.020 . 2 . . . . 239 LEU HD1 . 25646 1 4 . 1 1 13 13 LEU HD12 H 1 0.928 0.020 . 2 . . . . 239 LEU HD1 . 25646 1 5 . 1 1 13 13 LEU HD13 H 1 0.928 0.020 . 2 . . . . 239 LEU HD1 . 25646 1 6 . 1 1 13 13 LEU HD21 H 1 0.876 0.020 . 2 . . . . 239 LEU HD2 . 25646 1 7 . 1 1 13 13 LEU HD22 H 1 0.876 0.020 . 2 . . . . 239 LEU HD2 . 25646 1 8 . 1 1 13 13 LEU HD23 H 1 0.876 0.020 . 2 . . . . 239 LEU HD2 . 25646 1 9 . 1 1 14 14 VAL HB H 1 2.071 0.020 . 1 . . . . 240 VAL HB . 25646 1 10 . 1 1 14 14 VAL HG11 H 1 0.950 0.020 . 2 . . . . 240 VAL HG1 . 25646 1 11 . 1 1 14 14 VAL HG12 H 1 0.950 0.020 . 2 . . . . 240 VAL HG1 . 25646 1 12 . 1 1 14 14 VAL HG13 H 1 0.950 0.020 . 2 . . . . 240 VAL HG1 . 25646 1 13 . 1 1 14 14 VAL HG21 H 1 0.932 0.020 . 2 . . . . 240 VAL HG2 . 25646 1 14 . 1 1 14 14 VAL HG22 H 1 0.932 0.020 . 2 . . . . 240 VAL HG2 . 25646 1 15 . 1 1 14 14 VAL HG23 H 1 0.932 0.020 . 2 . . . . 240 VAL HG2 . 25646 1 16 . 1 1 60 60 ALA HB1 H 1 1.398 0.020 . 1 . . . . 286 ALA HB . 25646 1 17 . 1 1 60 60 ALA HB2 H 1 1.398 0.020 . 1 . . . . 286 ALA HB . 25646 1 18 . 1 1 60 60 ALA HB3 H 1 1.398 0.020 . 1 . . . . 286 ALA HB . 25646 1 19 . 1 1 65 65 VAL HB H 1 2.116 0.020 . 1 . . . . 291 VAL HB . 25646 1 20 . 1 1 65 65 VAL HG11 H 1 0.950 0.020 . 2 . . . . 291 VAL HG1 . 25646 1 21 . 1 1 65 65 VAL HG12 H 1 0.950 0.020 . 2 . . . . 291 VAL HG1 . 25646 1 22 . 1 1 65 65 VAL HG13 H 1 0.950 0.020 . 2 . . . . 291 VAL HG1 . 25646 1 23 . 1 1 65 65 VAL HG21 H 1 0.964 0.020 . 2 . . . . 291 VAL HG2 . 25646 1 24 . 1 1 65 65 VAL HG22 H 1 0.964 0.020 . 2 . . . . 291 VAL HG2 . 25646 1 25 . 1 1 65 65 VAL HG23 H 1 0.964 0.020 . 2 . . . . 291 VAL HG2 . 25646 1 26 . 1 1 66 66 ASN HB2 H 1 2.856 0.020 . 2 . . . . 292 ASN HB2 . 25646 1 27 . 1 1 66 66 ASN HB3 H 1 2.776 0.020 . 2 . . . . 292 ASN HB3 . 25646 1 28 . 1 1 67 67 GLN HB2 H 1 1.997 0.020 . 1 . . . . 293 GLN HB2 . 25646 1 29 . 1 1 67 67 GLN HB3 H 1 1.997 0.020 . 1 . . . . 293 GLN HB3 . 25646 1 30 . 1 1 67 67 GLN HG2 H 1 2.384 0.020 . 1 . . . . 293 GLN HG2 . 25646 1 31 . 1 1 67 67 GLN HG3 H 1 2.384 0.020 . 1 . . . . 293 GLN HG3 . 25646 1 32 . 1 1 68 68 THR HB H 1 4.143 0.020 . 1 . . . . 294 THR HB . 25646 1 33 . 1 1 68 68 THR HG21 H 1 1.265 0.020 . 1 . . . . 294 THR HG2 . 25646 1 34 . 1 1 68 68 THR HG22 H 1 1.265 0.020 . 1 . . . . 294 THR HG2 . 25646 1 35 . 1 1 68 68 THR HG23 H 1 1.265 0.020 . 1 . . . . 294 THR HG2 . 25646 1 36 . 1 1 76 76 LEU HB2 H 1 1.496 0.020 . 2 . . . . 302 LEU HB2 . 25646 1 37 . 1 1 76 76 LEU HB3 H 1 1.650 0.020 . 2 . . . . 302 LEU HB3 . 25646 1 38 . 1 1 76 76 LEU HG H 1 1.549 0.020 . 1 . . . . 302 LEU HG . 25646 1 39 . 1 1 76 76 LEU HD11 H 1 0.900 0.020 . 2 . . . . 302 LEU HD1 . 25646 1 40 . 1 1 76 76 LEU HD12 H 1 0.900 0.020 . 2 . . . . 302 LEU HD1 . 25646 1 41 . 1 1 76 76 LEU HD13 H 1 0.900 0.020 . 2 . . . . 302 LEU HD1 . 25646 1 42 . 1 1 76 76 LEU HD21 H 1 0.840 0.020 . 2 . . . . 302 LEU HD2 . 25646 1 43 . 1 1 76 76 LEU HD22 H 1 0.840 0.020 . 2 . . . . 302 LEU HD2 . 25646 1 44 . 1 1 76 76 LEU HD23 H 1 0.840 0.020 . 2 . . . . 302 LEU HD2 . 25646 1 45 . 1 1 80 80 SER HB2 H 1 3.901 0.020 . 1 . . . . 306 SER HB2 . 25646 1 46 . 1 1 80 80 SER HB3 H 1 3.901 0.020 . 1 . . . . 306 SER HB3 . 25646 1 47 . 1 1 82 82 ILE HB H 1 1.868 0.020 . 1 . . . . 308 ILE HB . 25646 1 48 . 1 1 82 82 ILE HG12 H 1 1.441 0.020 . 2 . . . . 308 ILE HG12 . 25646 1 49 . 1 1 82 82 ILE HG13 H 1 1.167 0.020 . 2 . . . . 308 ILE HG13 . 25646 1 50 . 1 1 82 82 ILE HG21 H 1 0.907 0.020 . 1 . . . . 308 ILE HG2 . 25646 1 51 . 1 1 82 82 ILE HG22 H 1 0.907 0.020 . 1 . . . . 308 ILE HG2 . 25646 1 52 . 1 1 82 82 ILE HG23 H 1 0.907 0.020 . 1 . . . . 308 ILE HG2 . 25646 1 53 . 1 1 82 82 ILE HD11 H 1 0.857 0.020 . 1 . . . . 308 ILE HD1 . 25646 1 54 . 1 1 82 82 ILE HD12 H 1 0.857 0.020 . 1 . . . . 308 ILE HD1 . 25646 1 55 . 1 1 82 82 ILE HD13 H 1 0.857 0.020 . 1 . . . . 308 ILE HD1 . 25646 1 56 . 1 1 89 89 LEU HB2 H 1 1.613 0.020 . 2 . . . . 315 LEU HB2 . 25646 1 57 . 1 1 89 89 LEU HB3 H 1 1.517 0.020 . 1 . . . . 315 LEU HB3 . 25646 1 58 . 1 1 89 89 LEU HG H 1 1.571 0.020 . 1 . . . . 315 LEU HG . 25646 1 59 . 1 1 89 89 LEU HD11 H 1 0.893 0.020 . 2 . . . . 315 LEU HD1 . 25646 1 60 . 1 1 89 89 LEU HD12 H 1 0.893 0.020 . 2 . . . . 315 LEU HD1 . 25646 1 61 . 1 1 89 89 LEU HD13 H 1 0.893 0.020 . 2 . . . . 315 LEU HD1 . 25646 1 62 . 1 1 89 89 LEU HD21 H 1 0.844 0.020 . 2 . . . . 315 LEU HD2 . 25646 1 63 . 1 1 89 89 LEU HD22 H 1 0.844 0.020 . 2 . . . . 315 LEU HD2 . 25646 1 64 . 1 1 89 89 LEU HD23 H 1 0.844 0.020 . 2 . . . . 315 LEU HD2 . 25646 1 65 . 1 1 94 94 THR HB H 1 4.246 0.020 . 1 . . . . 320 THR HB . 25646 1 66 . 1 1 94 94 THR HG21 H 1 1.170 0.020 . 1 . . . . 320 THR HG2 . 25646 1 67 . 1 1 94 94 THR HG22 H 1 1.170 0.020 . 1 . . . . 320 THR HG2 . 25646 1 68 . 1 1 94 94 THR HG23 H 1 1.170 0.020 . 1 . . . . 320 THR HG2 . 25646 1 69 . 1 1 96 96 THR HB H 1 4.195 0.020 . 1 . . . . 322 THR HB . 25646 1 70 . 1 1 96 96 THR HG21 H 1 1.194 0.020 . 1 . . . . 322 THR HG2 . 25646 1 71 . 1 1 96 96 THR HG22 H 1 1.194 0.020 . 1 . . . . 322 THR HG2 . 25646 1 72 . 1 1 96 96 THR HG23 H 1 1.194 0.020 . 1 . . . . 322 THR HG2 . 25646 1 73 . 1 1 97 97 GLN HG2 H 1 2.390 0.020 . 1 . . . . 323 GLN HG . 25646 1 74 . 1 1 97 97 GLN HG3 H 1 2.390 0.020 . 1 . . . . 323 GLN HG . 25646 1 75 . 1 1 98 98 THR HB H 1 4.231 0.020 . 1 . . . . 324 THR HB . 25646 1 76 . 1 1 98 98 THR HG21 H 1 1.222 0.020 . 1 . . . . 324 THR HG2 . 25646 1 77 . 1 1 98 98 THR HG22 H 1 1.222 0.020 . 1 . . . . 324 THR HG2 . 25646 1 78 . 1 1 98 98 THR HG23 H 1 1.222 0.020 . 1 . . . . 324 THR HG2 . 25646 1 79 . 1 1 99 99 ALA HB1 H 1 1.427 0.020 . 1 . . . . 325 ALA HB . 25646 1 80 . 1 1 99 99 ALA HB2 H 1 1.427 0.020 . 1 . . . . 325 ALA HB . 25646 1 81 . 1 1 99 99 ALA HB3 H 1 1.427 0.020 . 1 . . . . 325 ALA HB . 25646 1 82 . 1 1 103 103 ALA HB1 H 1 1.402 0.020 . 1 . . . . 329 ALA HB . 25646 1 83 . 1 1 103 103 ALA HB2 H 1 1.402 0.020 . 1 . . . . 329 ALA HB . 25646 1 84 . 1 1 103 103 ALA HB3 H 1 1.402 0.020 . 1 . . . . 329 ALA HB . 25646 1 85 . 1 1 109 109 ASN HB2 H 1 2.770 0.020 . 2 . . . . 335 ASN HB2 . 25646 1 86 . 1 1 109 109 ASN HB3 H 1 2.930 0.020 . 2 . . . . 335 ASN HB3 . 25646 1 87 . 1 1 113 113 SER HB2 H 1 4.020 0.020 . 2 . . . . 339 SER HB2 . 25646 1 88 . 1 1 113 113 SER HB3 H 1 3.970 0.020 . 2 . . . . 339 SER HB3 . 25646 1 89 . 1 1 114 114 LEU HB2 H 1 2.000 0.020 . 2 . . . . 340 LEU HB2 . 25646 1 90 . 1 1 114 114 LEU HB3 H 1 1.640 0.020 . 2 . . . . 340 LEU HB3 . 25646 1 91 . 1 1 114 114 LEU HG H 1 1.170 0.020 . 1 . . . . 340 LEU HG . 25646 1 92 . 1 1 114 114 LEU HD11 H 1 0.880 0.020 . 2 . . . . 340 LEU HD1 . 25646 1 93 . 1 1 114 114 LEU HD12 H 1 0.880 0.020 . 2 . . . . 340 LEU HD1 . 25646 1 94 . 1 1 114 114 LEU HD13 H 1 0.880 0.020 . 2 . . . . 340 LEU HD1 . 25646 1 95 . 1 1 114 114 LEU HD21 H 1 0.960 0.020 . 2 . . . . 340 LEU HD2 . 25646 1 96 . 1 1 114 114 LEU HD22 H 1 0.960 0.020 . 2 . . . . 340 LEU HD2 . 25646 1 97 . 1 1 114 114 LEU HD23 H 1 0.960 0.020 . 2 . . . . 340 LEU HD2 . 25646 1 98 . 1 1 115 115 PRO HB2 H 1 1.870 0.020 . 2 . . . . 341 PRO HB2 . 25646 1 99 . 1 1 115 115 PRO HB3 H 1 2.540 0.020 . 2 . . . . 341 PRO HB3 . 25646 1 100 . 1 1 115 115 PRO HG2 H 1 2.140 0.020 . 2 . . . . 341 PRO HG2 . 25646 1 101 . 1 1 115 115 PRO HG3 H 1 2.170 0.020 . 2 . . . . 341 PRO HG3 . 25646 1 102 . 1 1 115 115 PRO HD2 H 1 3.460 0.020 . 2 . . . . 341 PRO HD2 . 25646 1 103 . 1 1 115 115 PRO HD3 H 1 4.040 0.020 . 2 . . . . 341 PRO HD3 . 25646 1 104 . 1 1 116 116 LEU HB2 H 1 1.650 0.020 . 2 . . . . 342 LEU HB2 . 25646 1 105 . 1 1 116 116 LEU HB3 H 1 1.790 0.020 . 2 . . . . 342 LEU HB3 . 25646 1 106 . 1 1 116 116 LEU HG H 1 1.580 0.020 . 1 . . . . 342 LEU HG . 25646 1 107 . 1 1 116 116 LEU HD11 H 1 0.930 0.020 . 2 . . . . 342 LEU HD1 . 25646 1 108 . 1 1 116 116 LEU HD12 H 1 0.930 0.020 . 2 . . . . 342 LEU HD1 . 25646 1 109 . 1 1 116 116 LEU HD13 H 1 0.930 0.020 . 2 . . . . 342 LEU HD1 . 25646 1 110 . 1 1 116 116 LEU HD21 H 1 0.970 0.020 . 2 . . . . 342 LEU HD2 . 25646 1 111 . 1 1 116 116 LEU HD22 H 1 0.970 0.020 . 2 . . . . 342 LEU HD2 . 25646 1 112 . 1 1 116 116 LEU HD23 H 1 0.970 0.020 . 2 . . . . 342 LEU HD2 . 25646 1 113 . 1 1 117 117 THR HB H 1 4.170 0.020 . 1 . . . . 343 THR HB . 25646 1 114 . 1 1 117 117 THR HG21 H 1 1.330 0.020 . 1 . . . . 343 THR HG2 . 25646 1 115 . 1 1 117 117 THR HG22 H 1 1.330 0.020 . 1 . . . . 343 THR HG2 . 25646 1 116 . 1 1 117 117 THR HG23 H 1 1.330 0.020 . 1 . . . . 343 THR HG2 . 25646 1 117 . 1 1 118 118 LYS HB2 H 1 1.970 0.020 . 2 . . . . 344 LYS HB2 . 25646 1 118 . 1 1 118 118 LYS HB3 H 1 1.870 0.020 . 2 . . . . 344 LYS HB3 . 25646 1 119 . 1 1 118 118 LYS HG2 H 1 1.540 0.020 . 2 . . . . 344 LYS HG2 . 25646 1 120 . 1 1 118 118 LYS HG3 H 1 1.600 0.020 . 2 . . . . 344 LYS HG3 . 25646 1 121 . 1 1 118 118 LYS HD2 H 1 1.690 0.020 . 2 . . . . 344 LYS HD2 . 25646 1 122 . 1 1 118 118 LYS HD3 H 1 1.720 0.020 . 2 . . . . 344 LYS HD3 . 25646 1 123 . 1 1 118 118 LYS HE2 H 1 3.030 0.020 . 1 . . . . 344 LYS HE2 . 25646 1 124 . 1 1 118 118 LYS HE3 H 1 3.030 0.020 . 1 . . . . 344 LYS HE3 . 25646 1 125 . 1 1 119 119 ARG HB2 H 1 1.850 0.020 . 2 . . . . 345 ARG HB2 . 25646 1 126 . 1 1 119 119 ARG HB3 H 1 1.960 0.020 . 2 . . . . 345 ARG HB3 . 25646 1 127 . 1 1 119 119 ARG HG2 H 1 1.270 0.020 . 2 . . . . 345 ARG HG2 . 25646 1 128 . 1 1 119 119 ARG HG3 H 1 1.850 0.020 . 2 . . . . 345 ARG HG3 . 25646 1 129 . 1 1 119 119 ARG HD2 H 1 2.740 0.020 . 2 . . . . 345 ARG HD2 . 25646 1 130 . 1 1 119 119 ARG HD3 H 1 2.960 0.020 . 2 . . . . 345 ARG HD3 . 25646 1 131 . 1 1 119 119 ARG HE H 1 6.695 0.020 . 1 . . . . 345 ARG HE . 25646 1 132 . 1 1 120 120 GLU HB2 H 1 2.120 0.020 . 2 . . . . 346 GLU HB2 . 25646 1 133 . 1 1 120 120 GLU HB3 H 1 1.960 0.020 . 2 . . . . 346 GLU HB3 . 25646 1 134 . 1 1 120 120 GLU HG2 H 1 2.170 0.020 . 2 . . . . 346 GLU HG2 . 25646 1 135 . 1 1 120 120 GLU HG3 H 1 2.480 0.020 . 2 . . . . 346 GLU HG3 . 25646 1 136 . 1 1 121 121 GLU HB2 H 1 2.183 0.020 . 1 . . . . 347 GLU HB2 . 25646 1 137 . 1 1 121 121 GLU HB3 H 1 2.183 0.020 . 1 . . . . 347 GLU HB3 . 25646 1 138 . 1 1 121 121 GLU HG2 H 1 2.450 0.020 . 1 . . . . 347 GLU HG2 . 25646 1 139 . 1 1 121 121 GLU HG3 H 1 2.450 0.020 . 1 . . . . 347 GLU HG3 . 25646 1 140 . 1 1 122 122 VAL HB H 1 2.440 0.020 . 1 . . . . 348 VAL HB . 25646 1 141 . 1 1 122 122 VAL HG11 H 1 0.880 0.020 . 2 . . . . 348 VAL HG1 . 25646 1 142 . 1 1 122 122 VAL HG12 H 1 0.880 0.020 . 2 . . . . 348 VAL HG1 . 25646 1 143 . 1 1 122 122 VAL HG13 H 1 0.880 0.020 . 2 . . . . 348 VAL HG1 . 25646 1 144 . 1 1 122 122 VAL HG21 H 1 1.090 0.020 . 2 . . . . 348 VAL HG2 . 25646 1 145 . 1 1 122 122 VAL HG22 H 1 1.090 0.020 . 2 . . . . 348 VAL HG2 . 25646 1 146 . 1 1 122 122 VAL HG23 H 1 1.090 0.020 . 2 . . . . 348 VAL HG2 . 25646 1 147 . 1 1 123 123 GLU HB2 H 1 2.070 0.020 . 2 . . . . 349 GLU HB2 . 25646 1 148 . 1 1 123 123 GLU HB3 H 1 1.850 0.020 . 2 . . . . 349 GLU HB3 . 25646 1 149 . 1 1 123 123 GLU HG2 H 1 1.980 0.020 . 2 . . . . 349 GLU HG2 . 25646 1 150 . 1 1 123 123 GLU HG3 H 1 2.620 0.020 . 2 . . . . 349 GLU HG3 . 25646 1 151 . 1 1 124 124 LYS HB2 H 1 1.970 0.020 . 1 . . . . 350 LYS HB2 . 25646 1 152 . 1 1 124 124 LYS HB3 H 1 1.970 0.020 . 1 . . . . 350 LYS HB3 . 25646 1 153 . 1 1 124 124 LYS HG2 H 1 1.480 0.020 . 2 . . . . 350 LYS HG2 . 25646 1 154 . 1 1 124 124 LYS HG3 H 1 1.630 0.020 . 2 . . . . 350 LYS HG3 . 25646 1 155 . 1 1 124 124 LYS HD2 H 1 1.720 0.020 . 1 . . . . 350 LYS HD2 . 25646 1 156 . 1 1 124 124 LYS HD3 H 1 1.720 0.020 . 1 . . . . 350 LYS HD3 . 25646 1 157 . 1 1 124 124 LYS HE2 H 1 2.980 0.020 . 1 . . . . 350 LYS HE2 . 25646 1 158 . 1 1 124 124 LYS HE3 H 1 2.980 0.020 . 1 . . . . 350 LYS HE3 . 25646 1 159 . 1 1 125 125 LEU HB2 H 1 1.960 0.020 . 2 . . . . 351 LEU HB2 . 25646 1 160 . 1 1 125 125 LEU HB3 H 1 2.080 0.020 . 2 . . . . 351 LEU HB3 . 25646 1 161 . 1 1 125 125 LEU HG H 1 1.430 0.020 . 1 . . . . 351 LEU HG . 25646 1 162 . 1 1 126 126 LEU HB2 H 1 1.890 0.020 . 2 . . . . 352 LEU HB2 . 25646 1 163 . 1 1 126 126 LEU HB3 H 1 1.480 0.020 . 2 . . . . 352 LEU HB3 . 25646 1 164 . 1 1 126 126 LEU HG H 1 1.820 0.020 . 1 . . . . 352 LEU HG . 25646 1 165 . 1 1 127 127 ASN HB2 H 1 2.960 0.020 . 2 . . . . 353 ASN HB2 . 25646 1 166 . 1 1 127 127 ASN HB3 H 1 3.100 0.020 . 2 . . . . 353 ASN HB3 . 25646 1 167 . 1 1 129 129 ASP HB2 H 1 2.620 0.020 . 2 . . . . 355 ASP HB2 . 25646 1 168 . 1 1 129 129 ASP HB3 H 1 2.650 0.020 . 2 . . . . 355 ASP HB3 . 25646 1 169 . 1 1 130 130 THR HB H 1 4.050 0.020 . 1 . . . . 356 THR HB . 25646 1 170 . 1 1 130 130 THR HG21 H 1 1.300 0.020 . 1 . . . . 356 THR HG2 . 25646 1 171 . 1 1 130 130 THR HG22 H 1 1.300 0.020 . 1 . . . . 356 THR HG2 . 25646 1 172 . 1 1 130 130 THR HG23 H 1 1.300 0.020 . 1 . . . . 356 THR HG2 . 25646 1 173 . 1 1 131 131 TRP HB2 H 1 3.190 0.020 . 2 . . . . 357 TRP HB2 . 25646 1 174 . 1 1 131 131 TRP HB3 H 1 3.330 0.020 . 2 . . . . 357 TRP HB3 . 25646 1 175 . 1 1 131 131 TRP HD1 H 1 7.690 0.020 . 1 . . . . 357 TRP HD1 . 25646 1 176 . 1 1 131 131 TRP HE1 H 1 10.430 0.020 . 1 . . . . 357 TRP HE1 . 25646 1 177 . 1 1 131 131 TRP HE3 H 1 7.120 0.020 . 1 . . . . 357 TRP HE3 . 25646 1 178 . 1 1 131 131 TRP HZ2 H 1 7.060 0.020 . 1 . . . . 357 TRP HZ2 . 25646 1 179 . 1 1 131 131 TRP HZ3 H 1 7.470 0.020 . 1 . . . . 357 TRP HZ3 . 25646 1 180 . 1 1 131 131 TRP HH2 H 1 7.330 0.020 . 1 . . . . 357 TRP HH2 . 25646 1 181 . 1 1 132 132 ARG HB2 H 1 0.980 0.020 . 2 . . . . 358 ARG HB2 . 25646 1 182 . 1 1 132 132 ARG HB3 H 1 1.190 0.020 . 2 . . . . 358 ARG HB3 . 25646 1 183 . 1 1 132 132 ARG HG2 H 1 -0.030 0.020 . 2 . . . . 358 ARG HG2 . 25646 1 184 . 1 1 132 132 ARG HG3 H 1 0.030 0.020 . 2 . . . . 358 ARG HG3 . 25646 1 185 . 1 1 132 132 ARG HD2 H 1 2.770 0.020 . 2 . . . . 358 ARG HD2 . 25646 1 186 . 1 1 132 132 ARG HD3 H 1 2.850 0.020 . 2 . . . . 358 ARG HD3 . 25646 1 187 . 1 1 132 132 ARG HE H 1 7.145 0.020 . 1 . . . . 358 ARG HE . 25646 1 188 . 1 1 133 133 HIS HB2 H 1 3.160 0.020 . 2 . . . . 359 HIS HB2 . 25646 1 189 . 1 1 133 133 HIS HB3 H 1 3.240 0.020 . 2 . . . . 359 HIS HB3 . 25646 1 190 . 1 1 133 133 HIS HD1 H 1 6.950 0.020 . 1 . . . . 359 HIS HD1 . 25646 1 191 . 1 1 133 133 HIS HD2 H 1 7.730 0.020 . 1 . . . . 359 HIS HD2 . 25646 1 192 . 1 1 134 134 LEU HB2 H 1 1.230 0.020 . 2 . . . . 360 LEU HB2 . 25646 1 193 . 1 1 134 134 LEU HB3 H 1 1.940 0.020 . 2 . . . . 360 LEU HB3 . 25646 1 194 . 1 1 134 134 LEU HG H 1 1.320 0.020 . 1 . . . . 360 LEU HG . 25646 1 195 . 1 1 135 135 ALA HB1 H 1 1.533 0.020 . 1 . . . . 361 ALA HB . 25646 1 196 . 1 1 135 135 ALA HB2 H 1 1.533 0.020 . 1 . . . . 361 ALA HB . 25646 1 197 . 1 1 135 135 ALA HB3 H 1 1.533 0.020 . 1 . . . . 361 ALA HB . 25646 1 198 . 1 1 137 137 GLU HB2 H 1 2.010 0.020 . 2 . . . . 363 GLU HB2 . 25646 1 199 . 1 1 137 137 GLU HB3 H 1 2.110 0.020 . 2 . . . . 363 GLU HB3 . 25646 1 200 . 1 1 137 137 GLU HG2 H 1 2.270 0.020 . 2 . . . . 363 GLU HG2 . 25646 1 201 . 1 1 137 137 GLU HG3 H 1 2.400 0.020 . 2 . . . . 363 GLU HG3 . 25646 1 202 . 1 1 138 138 LEU HB2 H 1 1.800 0.020 . 2 . . . . 364 LEU HB2 . 25646 1 203 . 1 1 138 138 LEU HB3 H 1 1.660 0.020 . 2 . . . . 364 LEU HB3 . 25646 1 204 . 1 1 138 138 LEU HG H 1 1.440 0.020 . 1 . . . . 364 LEU HG . 25646 1 205 . 1 1 138 138 LEU HD11 H 1 -0.140 0.020 . 2 . . . . 364 LEU HD1 . 25646 1 206 . 1 1 138 138 LEU HD12 H 1 -0.140 0.020 . 2 . . . . 364 LEU HD1 . 25646 1 207 . 1 1 138 138 LEU HD13 H 1 -0.140 0.020 . 2 . . . . 364 LEU HD1 . 25646 1 208 . 1 1 138 138 LEU HD21 H 1 0.190 0.020 . 2 . . . . 364 LEU HD2 . 25646 1 209 . 1 1 138 138 LEU HD22 H 1 0.190 0.020 . 2 . . . . 364 LEU HD2 . 25646 1 210 . 1 1 138 138 LEU HD23 H 1 0.190 0.020 . 2 . . . . 364 LEU HD2 . 25646 1 211 . 1 1 140 140 TYR HB2 H 1 2.740 0.020 . 2 . . . . 366 TYR HB2 . 25646 1 212 . 1 1 140 140 TYR HB3 H 1 3.000 0.020 . 2 . . . . 366 TYR HB3 . 25646 1 213 . 1 1 141 141 GLN HB2 H 1 1.840 0.020 . 2 . . . . 367 GLN HB2 . 25646 1 214 . 1 1 141 141 GLN HB3 H 1 2.510 0.020 . 2 . . . . 367 GLN HB3 . 25646 1 215 . 1 1 141 141 GLN HG2 H 1 2.620 0.020 . 1 . . . . 367 GLN HG2 . 25646 1 216 . 1 1 141 141 GLN HG3 H 1 2.620 0.020 . 1 . . . . 367 GLN HG3 . 25646 1 217 . 1 1 141 141 GLN HE21 H 1 6.925 0.020 . 1 . . . . 367 GLN HE21 . 25646 1 218 . 1 1 141 141 GLN HE22 H 1 7.474 0.020 . 1 . . . . 367 GLN HE22 . 25646 1 219 . 1 1 142 142 PRO HB2 H 1 1.980 0.020 . 2 . . . . 368 PRO HB2 . 25646 1 220 . 1 1 142 142 PRO HB3 H 1 2.440 0.020 . 2 . . . . 368 PRO HB3 . 25646 1 221 . 1 1 142 142 PRO HG2 H 1 2.500 0.020 . 2 . . . . 368 PRO HG2 . 25646 1 222 . 1 1 142 142 PRO HG3 H 1 2.270 0.020 . 2 . . . . 368 PRO HG3 . 25646 1 223 . 1 1 142 142 PRO HD2 H 1 3.870 0.020 . 2 . . . . 368 PRO HD2 . 25646 1 224 . 1 1 142 142 PRO HD3 H 1 3.960 0.020 . 2 . . . . 368 PRO HD3 . 25646 1 225 . 1 1 143 143 GLU HB2 H 1 1.950 0.020 . 2 . . . . 369 GLU HB2 . 25646 1 226 . 1 1 143 143 GLU HB3 H 1 1.980 0.020 . 2 . . . . 369 GLU HB3 . 25646 1 227 . 1 1 143 143 GLU HG2 H 1 2.130 0.020 . 2 . . . . 369 GLU HG2 . 25646 1 228 . 1 1 143 143 GLU HG3 H 1 2.200 0.020 . 2 . . . . 369 GLU HG3 . 25646 1 229 . 1 1 144 144 HIS HB2 H 1 3.520 0.020 . 2 . . . . 370 HIS HB2 . 25646 1 230 . 1 1 144 144 HIS HB3 H 1 3.390 0.020 . 2 . . . . 370 HIS HB3 . 25646 1 231 . 1 1 144 144 HIS HD1 H 1 7.030 0.020 . 1 . . . . 370 HIS HD1 . 25646 1 232 . 1 1 144 144 HIS HD2 H 1 7.860 0.020 . 1 . . . . 370 HIS HD2 . 25646 1 233 . 1 1 145 145 ILE HB H 1 2.060 0.020 . 1 . . . . 371 ILE HB . 25646 1 234 . 1 1 145 145 ILE HG12 H 1 0.850 0.020 . 2 . . . . 371 ILE HG12 . 25646 1 235 . 1 1 145 145 ILE HG13 H 1 1.820 0.020 . 2 . . . . 371 ILE HG13 . 25646 1 236 . 1 1 145 145 ILE HG21 H 1 0.910 0.020 . 1 . . . . 371 ILE HG2 . 25646 1 237 . 1 1 145 145 ILE HG22 H 1 0.910 0.020 . 1 . . . . 371 ILE HG2 . 25646 1 238 . 1 1 145 145 ILE HG23 H 1 0.910 0.020 . 1 . . . . 371 ILE HG2 . 25646 1 239 . 1 1 145 145 ILE HD11 H 1 0.790 0.020 . 1 . . . . 371 ILE HD1 . 25646 1 240 . 1 1 145 145 ILE HD12 H 1 0.790 0.020 . 1 . . . . 371 ILE HD1 . 25646 1 241 . 1 1 145 145 ILE HD13 H 1 0.790 0.020 . 1 . . . . 371 ILE HD1 . 25646 1 242 . 1 1 146 146 ASP HB2 H 1 2.740 0.020 . 1 . . . . 372 ASP HB2 . 25646 1 243 . 1 1 146 146 ASP HB3 H 1 2.740 0.020 . 1 . . . . 372 ASP HB3 . 25646 1 244 . 1 1 147 147 SER HB2 H 1 3.880 0.020 . 2 . . . . 373 SER HB2 . 25646 1 245 . 1 1 147 147 SER HB3 H 1 3.850 0.020 . 2 . . . . 373 SER HB3 . 25646 1 246 . 1 1 148 148 PHE HB2 H 1 3.200 0.020 . 2 . . . . 374 PHE HB2 . 25646 1 247 . 1 1 148 148 PHE HB3 H 1 2.940 0.020 . 2 . . . . 374 PHE HB3 . 25646 1 248 . 1 1 148 148 PHE HZ H 1 7.040 0.020 . 1 . . . . 374 PHE HZ . 25646 1 249 . 1 1 149 149 THR HB H 1 4.320 0.020 . 1 . . . . 375 THR HB . 25646 1 250 . 1 1 149 149 THR HG21 H 1 1.470 0.020 . 1 . . . . 375 THR HG2 . 25646 1 251 . 1 1 149 149 THR HG22 H 1 1.470 0.020 . 1 . . . . 375 THR HG2 . 25646 1 252 . 1 1 149 149 THR HG23 H 1 1.470 0.020 . 1 . . . . 375 THR HG2 . 25646 1 253 . 1 1 150 150 HIS HB2 H 1 3.110 0.020 . 2 . . . . 376 HIS HB2 . 25646 1 254 . 1 1 150 150 HIS HB3 H 1 3.390 0.020 . 2 . . . . 376 HIS HB3 . 25646 1 255 . 1 1 150 150 HIS HD1 H 1 7.180 0.020 . 1 . . . . 376 HIS HD1 . 25646 1 256 . 1 1 150 150 HIS HD2 H 1 7.970 0.020 . 1 . . . . 376 HIS HD2 . 25646 1 257 . 1 1 151 151 GLU HB2 H 1 1.667 0.020 . 2 . . . . 377 GLU HB2 . 25646 1 258 . 1 1 151 151 GLU HB3 H 1 2.120 0.020 . 2 . . . . 377 GLU HB3 . 25646 1 259 . 1 1 151 151 GLU HG2 H 1 2.320 0.020 . 1 . . . . 377 GLU HG2 . 25646 1 260 . 1 1 151 151 GLU HG3 H 1 2.320 0.020 . 1 . . . . 377 GLU HG3 . 25646 1 261 . 1 1 152 152 ALA HB1 H 1 1.440 0.020 . 1 . . . . 378 ALA HB . 25646 1 262 . 1 1 152 152 ALA HB2 H 1 1.440 0.020 . 1 . . . . 378 ALA HB . 25646 1 263 . 1 1 152 152 ALA HB3 H 1 1.440 0.020 . 1 . . . . 378 ALA HB . 25646 1 264 . 1 1 153 153 CYS HB2 H 1 2.840 0.020 . 2 . . . . 379 CYS HB2 . 25646 1 265 . 1 1 153 153 CYS HB3 H 1 2.650 0.020 . 2 . . . . 379 CYS HB3 . 25646 1 266 . 1 1 154 154 PRO HB2 H 1 0.850 0.020 . 2 . . . . 380 PRO HB2 . 25646 1 267 . 1 1 154 154 PRO HB3 H 1 -0.010 0.020 . 2 . . . . 380 PRO HB3 . 25646 1 268 . 1 1 154 154 PRO HG2 H 1 1.670 0.020 . 2 . . . . 380 PRO HG2 . 25646 1 269 . 1 1 154 154 PRO HG3 H 1 1.920 0.020 . 2 . . . . 380 PRO HG3 . 25646 1 270 . 1 1 154 154 PRO HD2 H 1 3.490 0.020 . 2 . . . . 380 PRO HD2 . 25646 1 271 . 1 1 154 154 PRO HD3 H 1 3.730 0.020 . 2 . . . . 380 PRO HD3 . 25646 1 272 . 1 1 155 155 VAL HB H 1 1.980 0.020 . 1 . . . . 381 VAL HB . 25646 1 273 . 1 1 155 155 VAL HG11 H 1 0.920 0.020 . 2 . . . . 381 VAL HG1 . 25646 1 274 . 1 1 155 155 VAL HG12 H 1 0.920 0.020 . 2 . . . . 381 VAL HG1 . 25646 1 275 . 1 1 155 155 VAL HG13 H 1 0.920 0.020 . 2 . . . . 381 VAL HG1 . 25646 1 276 . 1 1 155 155 VAL HG21 H 1 0.930 0.020 . 2 . . . . 381 VAL HG2 . 25646 1 277 . 1 1 155 155 VAL HG22 H 1 0.930 0.020 . 2 . . . . 381 VAL HG2 . 25646 1 278 . 1 1 155 155 VAL HG23 H 1 0.930 0.020 . 2 . . . . 381 VAL HG2 . 25646 1 279 . 1 1 156 156 ARG HB2 H 1 1.900 0.020 . 2 . . . . 382 ARG HB2 . 25646 1 280 . 1 1 156 156 ARG HB3 H 1 1.790 0.020 . 2 . . . . 382 ARG HB3 . 25646 1 281 . 1 1 156 156 ARG HG2 H 1 1.610 0.020 . 2 . . . . 382 ARG HG2 . 25646 1 282 . 1 1 156 156 ARG HG3 H 1 1.820 0.020 . 2 . . . . 382 ARG HG3 . 25646 1 283 . 1 1 156 156 ARG HD2 H 1 3.160 0.020 . 2 . . . . 382 ARG HD2 . 25646 1 284 . 1 1 156 156 ARG HD3 H 1 3.320 0.020 . 2 . . . . 382 ARG HD3 . 25646 1 285 . 1 1 156 156 ARG HE H 1 7.890 0.020 . 1 . . . . 382 ARG HE . 25646 1 286 . 1 1 157 157 ALA HB1 H 1 1.420 0.020 . 1 . . . . 383 ALA HB . 25646 1 287 . 1 1 157 157 ALA HB2 H 1 1.420 0.020 . 1 . . . . 383 ALA HB . 25646 1 288 . 1 1 157 157 ALA HB3 H 1 1.420 0.020 . 1 . . . . 383 ALA HB . 25646 1 289 . 1 1 158 158 LEU HB2 H 1 0.720 0.020 . 2 . . . . 384 LEU HB2 . 25646 1 290 . 1 1 158 158 LEU HB3 H 1 1.700 0.020 . 2 . . . . 384 LEU HB3 . 25646 1 291 . 1 1 158 158 LEU HG H 1 1.070 0.020 . 1 . . . . 384 LEU HG . 25646 1 292 . 1 1 158 158 LEU HD11 H 1 0.352 0.020 . 2 . . . . 384 LEU HD1 . 25646 1 293 . 1 1 158 158 LEU HD12 H 1 0.352 0.020 . 2 . . . . 384 LEU HD1 . 25646 1 294 . 1 1 158 158 LEU HD13 H 1 0.352 0.020 . 2 . . . . 384 LEU HD1 . 25646 1 295 . 1 1 158 158 LEU HD21 H 1 0.797 0.020 . 2 . . . . 384 LEU HD2 . 25646 1 296 . 1 1 158 158 LEU HD22 H 1 0.797 0.020 . 2 . . . . 384 LEU HD2 . 25646 1 297 . 1 1 158 158 LEU HD23 H 1 0.797 0.020 . 2 . . . . 384 LEU HD2 . 25646 1 298 . 1 1 159 159 LEU HB2 H 1 1.560 0.020 . 2 . . . . 385 LEU HB2 . 25646 1 299 . 1 1 159 159 LEU HB3 H 1 1.070 0.020 . 2 . . . . 385 LEU HB3 . 25646 1 300 . 1 1 159 159 LEU HG H 1 1.540 0.020 . 1 . . . . 385 LEU HG . 25646 1 301 . 1 1 159 159 LEU HD11 H 1 0.640 0.020 . 2 . . . . 385 LEU HD1 . 25646 1 302 . 1 1 159 159 LEU HD12 H 1 0.640 0.020 . 2 . . . . 385 LEU HD1 . 25646 1 303 . 1 1 159 159 LEU HD13 H 1 0.640 0.020 . 2 . . . . 385 LEU HD1 . 25646 1 304 . 1 1 159 159 LEU HD21 H 1 0.349 0.020 . 2 . . . . 385 LEU HD2 . 25646 1 305 . 1 1 159 159 LEU HD22 H 1 0.349 0.020 . 2 . . . . 385 LEU HD2 . 25646 1 306 . 1 1 159 159 LEU HD23 H 1 0.349 0.020 . 2 . . . . 385 LEU HD2 . 25646 1 307 . 1 1 160 160 ALA HB1 H 1 1.514 0.020 . 1 . . . . 386 ALA HB . 25646 1 308 . 1 1 160 160 ALA HB2 H 1 1.514 0.020 . 1 . . . . 386 ALA HB . 25646 1 309 . 1 1 160 160 ALA HB3 H 1 1.514 0.020 . 1 . . . . 386 ALA HB . 25646 1 310 . 1 1 161 161 SER HB2 H 1 4.290 0.020 . 1 . . . . 387 SER HB2 . 25646 1 311 . 1 1 161 161 SER HB3 H 1 4.290 0.020 . 1 . . . . 387 SER HB3 . 25646 1 312 . 1 1 162 162 TRP HB2 H 1 3.610 0.020 . 2 . . . . 388 TRP HB2 . 25646 1 313 . 1 1 162 162 TRP HB3 H 1 3.272 0.020 . 2 . . . . 388 TRP HB3 . 25646 1 314 . 1 1 162 162 TRP HD1 H 1 7.370 0.020 . 1 . . . . 388 TRP HD1 . 25646 1 315 . 1 1 162 162 TRP HE1 H 1 10.380 0.020 . 1 . . . . 388 TRP HE1 . 25646 1 316 . 1 1 162 162 TRP HE3 H 1 7.390 0.020 . 1 . . . . 388 TRP HE3 . 25646 1 317 . 1 1 162 162 TRP HZ2 H 1 6.630 0.020 . 1 . . . . 388 TRP HZ2 . 25646 1 318 . 1 1 162 162 TRP HZ3 H 1 7.460 0.020 . 1 . . . . 388 TRP HZ3 . 25646 1 319 . 1 1 162 162 TRP HH2 H 1 7.250 0.020 . 1 . . . . 388 TRP HH2 . 25646 1 320 . 1 1 164 164 ALA HB1 H 1 1.540 0.020 . 1 . . . . 390 ALA HB . 25646 1 321 . 1 1 164 164 ALA HB2 H 1 1.540 0.020 . 1 . . . . 390 ALA HB . 25646 1 322 . 1 1 164 164 ALA HB3 H 1 1.540 0.020 . 1 . . . . 390 ALA HB . 25646 1 323 . 1 1 165 165 GLN HB2 H 1 1.940 0.020 . 2 . . . . 391 GLN HB2 . 25646 1 324 . 1 1 165 165 GLN HB3 H 1 2.170 0.020 . 2 . . . . 391 GLN HB3 . 25646 1 325 . 1 1 165 165 GLN HG2 H 1 2.390 0.020 . 2 . . . . 391 GLN HG2 . 25646 1 326 . 1 1 165 165 GLN HG3 H 1 2.640 0.020 . 2 . . . . 391 GLN HG3 . 25646 1 327 . 1 1 165 165 GLN HE21 H 1 6.970 0.020 . 1 . . . . 391 GLN HE21 . 25646 1 328 . 1 1 165 165 GLN HE22 H 1 7.240 0.020 . 1 . . . . 391 GLN HE22 . 25646 1 329 . 1 1 166 166 ASP HB2 H 1 2.700 0.020 . 2 . . . . 392 ASP HB2 . 25646 1 330 . 1 1 166 166 ASP HB3 H 1 2.720 0.020 . 2 . . . . 392 ASP HB3 . 25646 1 331 . 1 1 167 167 SER HB2 H 1 3.880 0.020 . 2 . . . . 393 SER HB2 . 25646 1 332 . 1 1 167 167 SER HB3 H 1 4.150 0.020 . 2 . . . . 393 SER HB3 . 25646 1 333 . 1 1 168 168 ALA HB1 H 1 0.168 0.020 . 1 . . . . 394 ALA HB . 25646 1 334 . 1 1 168 168 ALA HB2 H 1 0.168 0.020 . 1 . . . . 394 ALA HB . 25646 1 335 . 1 1 168 168 ALA HB3 H 1 0.168 0.020 . 1 . . . . 394 ALA HB . 25646 1 336 . 1 1 169 169 THR HB H 1 4.700 0.020 . 1 . . . . 395 THR HB . 25646 1 337 . 1 1 169 169 THR HG1 H 1 5.900 0.020 . 1 . . . . 395 THR HG1 . 25646 1 338 . 1 1 169 169 THR HG21 H 1 1.250 0.020 . 1 . . . . 395 THR HG2 . 25646 1 339 . 1 1 169 169 THR HG22 H 1 1.250 0.020 . 1 . . . . 395 THR HG2 . 25646 1 340 . 1 1 169 169 THR HG23 H 1 1.250 0.020 . 1 . . . . 395 THR HG2 . 25646 1 341 . 1 1 170 170 LEU HB2 H 1 1.680 0.020 . 2 . . . . 396 LEU HB2 . 25646 1 342 . 1 1 170 170 LEU HB3 H 1 1.990 0.020 . 2 . . . . 396 LEU HB3 . 25646 1 343 . 1 1 170 170 LEU HG H 1 1.780 0.020 . 1 . . . . 396 LEU HG . 25646 1 344 . 1 1 170 170 LEU HD11 H 1 1.080 0.020 . 2 . . . . 396 LEU HD1 . 25646 1 345 . 1 1 170 170 LEU HD12 H 1 1.080 0.020 . 2 . . . . 396 LEU HD1 . 25646 1 346 . 1 1 170 170 LEU HD13 H 1 1.080 0.020 . 2 . . . . 396 LEU HD1 . 25646 1 347 . 1 1 170 170 LEU HD21 H 1 1.140 0.020 . 2 . . . . 396 LEU HD2 . 25646 1 348 . 1 1 170 170 LEU HD22 H 1 1.140 0.020 . 2 . . . . 396 LEU HD2 . 25646 1 349 . 1 1 170 170 LEU HD23 H 1 1.140 0.020 . 2 . . . . 396 LEU HD2 . 25646 1 350 . 1 1 171 171 ASP HB2 H 1 2.680 0.020 . 1 . . . . 397 ASP HB2 . 25646 1 351 . 1 1 171 171 ASP HB3 H 1 2.680 0.020 . 1 . . . . 397 ASP HB3 . 25646 1 352 . 1 1 172 172 ALA HB1 H 1 1.871 0.020 . 1 . . . . 398 ALA HB . 25646 1 353 . 1 1 172 172 ALA HB2 H 1 1.871 0.020 . 1 . . . . 398 ALA HB . 25646 1 354 . 1 1 172 172 ALA HB3 H 1 1.871 0.020 . 1 . . . . 398 ALA HB . 25646 1 355 . 1 1 173 173 LEU HB2 H 1 1.660 0.020 . 2 . . . . 399 LEU HB2 . 25646 1 356 . 1 1 173 173 LEU HB3 H 1 2.170 0.020 . 2 . . . . 399 LEU HB3 . 25646 1 357 . 1 1 173 173 LEU HG H 1 1.340 0.020 . 1 . . . . 399 LEU HG . 25646 1 358 . 1 1 173 173 LEU HD11 H 1 0.377 0.020 . 2 . . . . 399 LEU HD1 . 25646 1 359 . 1 1 173 173 LEU HD12 H 1 0.377 0.020 . 2 . . . . 399 LEU HD1 . 25646 1 360 . 1 1 173 173 LEU HD13 H 1 0.377 0.020 . 2 . . . . 399 LEU HD1 . 25646 1 361 . 1 1 173 173 LEU HD21 H 1 0.701 0.020 . 2 . . . . 399 LEU HD2 . 25646 1 362 . 1 1 173 173 LEU HD22 H 1 0.701 0.020 . 2 . . . . 399 LEU HD2 . 25646 1 363 . 1 1 173 173 LEU HD23 H 1 0.701 0.020 . 2 . . . . 399 LEU HD2 . 25646 1 364 . 1 1 174 174 LEU HB2 H 1 2.060 0.020 . 2 . . . . 400 LEU HB2 . 25646 1 365 . 1 1 174 174 LEU HB3 H 1 1.460 0.020 . 2 . . . . 400 LEU HB3 . 25646 1 366 . 1 1 174 174 LEU HG H 1 2.120 0.020 . 1 . . . . 400 LEU HG . 25646 1 367 . 1 1 174 174 LEU HD11 H 1 0.960 0.020 . 2 . . . . 400 LEU HD1 . 25646 1 368 . 1 1 174 174 LEU HD12 H 1 0.960 0.020 . 2 . . . . 400 LEU HD1 . 25646 1 369 . 1 1 174 174 LEU HD13 H 1 0.960 0.020 . 2 . . . . 400 LEU HD1 . 25646 1 370 . 1 1 174 174 LEU HD21 H 1 0.900 0.020 . 2 . . . . 400 LEU HD2 . 25646 1 371 . 1 1 174 174 LEU HD22 H 1 0.900 0.020 . 2 . . . . 400 LEU HD2 . 25646 1 372 . 1 1 174 174 LEU HD23 H 1 0.900 0.020 . 2 . . . . 400 LEU HD2 . 25646 1 373 . 1 1 175 175 ALA HB1 H 1 1.424 0.020 . 1 . . . . 401 ALA HB . 25646 1 374 . 1 1 175 175 ALA HB2 H 1 1.424 0.020 . 1 . . . . 401 ALA HB . 25646 1 375 . 1 1 175 175 ALA HB3 H 1 1.424 0.020 . 1 . . . . 401 ALA HB . 25646 1 376 . 1 1 176 176 ALA HB1 H 1 1.302 0.020 . 1 . . . . 402 ALA HB . 25646 1 377 . 1 1 176 176 ALA HB2 H 1 1.302 0.020 . 1 . . . . 402 ALA HB . 25646 1 378 . 1 1 176 176 ALA HB3 H 1 1.302 0.020 . 1 . . . . 402 ALA HB . 25646 1 379 . 1 1 177 177 LEU HB2 H 1 1.990 0.020 . 2 . . . . 403 LEU HB2 . 25646 1 380 . 1 1 177 177 LEU HB3 H 1 1.480 0.020 . 2 . . . . 403 LEU HB3 . 25646 1 381 . 1 1 177 177 LEU HG H 1 1.750 0.020 . 1 . . . . 403 LEU HG . 25646 1 382 . 1 1 177 177 LEU HD11 H 1 0.639 0.020 . 2 . . . . 403 LEU HD1 . 25646 1 383 . 1 1 177 177 LEU HD12 H 1 0.639 0.020 . 2 . . . . 403 LEU HD1 . 25646 1 384 . 1 1 177 177 LEU HD13 H 1 0.639 0.020 . 2 . . . . 403 LEU HD1 . 25646 1 385 . 1 1 177 177 LEU HD21 H 1 0.842 0.020 . 2 . . . . 403 LEU HD2 . 25646 1 386 . 1 1 177 177 LEU HD22 H 1 0.842 0.020 . 2 . . . . 403 LEU HD2 . 25646 1 387 . 1 1 177 177 LEU HD23 H 1 0.842 0.020 . 2 . . . . 403 LEU HD2 . 25646 1 388 . 1 1 178 178 ARG HB2 H 1 1.850 0.020 . 2 . . . . 404 ARG HB2 . 25646 1 389 . 1 1 178 178 ARG HB3 H 1 1.990 0.020 . 2 . . . . 404 ARG HB3 . 25646 1 390 . 1 1 178 178 ARG HG2 H 1 1.490 0.020 . 1 . . . . 404 ARG HG2 . 25646 1 391 . 1 1 178 178 ARG HG3 H 1 1.490 0.020 . 1 . . . . 404 ARG HG3 . 25646 1 392 . 1 1 178 178 ARG HD2 H 1 3.180 0.020 . 2 . . . . 404 ARG HD2 . 25646 1 393 . 1 1 178 178 ARG HD3 H 1 3.260 0.020 . 2 . . . . 404 ARG HD3 . 25646 1 394 . 1 1 178 178 ARG HE H 1 7.440 0.020 . 1 . . . . 404 ARG HE . 25646 1 395 . 1 1 179 179 ARG HB2 H 1 1.780 0.020 . 2 . . . . 405 ARG HB2 . 25646 1 396 . 1 1 179 179 ARG HB3 H 1 2.080 0.020 . 2 . . . . 405 ARG HB3 . 25646 1 397 . 1 1 179 179 ARG HG2 H 1 1.500 0.020 . 1 . . . . 405 ARG HG2 . 25646 1 398 . 1 1 179 179 ARG HG3 H 1 1.500 0.020 . 1 . . . . 405 ARG HG3 . 25646 1 399 . 1 1 179 179 ARG HD2 H 1 3.230 0.020 . 2 . . . . 405 ARG HD2 . 25646 1 400 . 1 1 179 179 ARG HD3 H 1 3.410 0.020 . 2 . . . . 405 ARG HD3 . 25646 1 401 . 1 1 179 179 ARG HE H 1 8.288 0.020 . 1 . . . . 405 ARG HE . 25646 1 402 . 1 1 180 180 ILE HB H 1 2.147 0.020 . 1 . . . . 406 ILE HB . 25646 1 403 . 1 1 180 180 ILE HG12 H 1 1.380 0.020 . 2 . . . . 406 ILE HG12 . 25646 1 404 . 1 1 180 180 ILE HG13 H 1 1.460 0.020 . 2 . . . . 406 ILE HG13 . 25646 1 405 . 1 1 180 180 ILE HG21 H 1 0.728 0.020 . 1 . . . . 406 ILE HG2 . 25646 1 406 . 1 1 180 180 ILE HG22 H 1 0.728 0.020 . 1 . . . . 406 ILE HG2 . 25646 1 407 . 1 1 180 180 ILE HG23 H 1 0.728 0.020 . 1 . . . . 406 ILE HG2 . 25646 1 408 . 1 1 180 180 ILE HD11 H 1 0.744 0.020 . 1 . . . . 406 ILE HD1 . 25646 1 409 . 1 1 180 180 ILE HD12 H 1 0.744 0.020 . 1 . . . . 406 ILE HD1 . 25646 1 410 . 1 1 180 180 ILE HD13 H 1 0.744 0.020 . 1 . . . . 406 ILE HD1 . 25646 1 411 . 1 1 181 181 GLN HB2 H 1 2.320 0.020 . 2 . . . . 407 GLN HB2 . 25646 1 412 . 1 1 181 181 GLN HB3 H 1 2.400 0.020 . 2 . . . . 407 GLN HB3 . 25646 1 413 . 1 1 181 181 GLN HG2 H 1 2.270 0.020 . 2 . . . . 407 GLN HG2 . 25646 1 414 . 1 1 181 181 GLN HG3 H 1 2.370 0.020 . 2 . . . . 407 GLN HG3 . 25646 1 415 . 1 1 182 182 ARG HB2 H 1 1.610 0.020 . 2 . . . . 408 ARG HB2 . 25646 1 416 . 1 1 182 182 ARG HB3 H 1 2.010 0.020 . 2 . . . . 408 ARG HB3 . 25646 1 417 . 1 1 182 182 ARG HG2 H 1 1.500 0.020 . 2 . . . . 408 ARG HG2 . 25646 1 418 . 1 1 182 182 ARG HG3 H 1 1.720 0.020 . 2 . . . . 408 ARG HG3 . 25646 1 419 . 1 1 182 182 ARG HD2 H 1 3.470 0.020 . 1 . . . . 408 ARG HD2 . 25646 1 420 . 1 1 182 182 ARG HD3 H 1 3.470 0.020 . 1 . . . . 408 ARG HD3 . 25646 1 421 . 1 1 182 182 ARG HE H 1 9.420 0.020 . 1 . . . . 408 ARG HE . 25646 1 422 . 1 1 183 183 ALA HB1 H 1 1.496 0.020 . 1 . . . . 409 ALA HB . 25646 1 423 . 1 1 183 183 ALA HB2 H 1 1.496 0.020 . 1 . . . . 409 ALA HB . 25646 1 424 . 1 1 183 183 ALA HB3 H 1 1.496 0.020 . 1 . . . . 409 ALA HB . 25646 1 425 . 1 1 184 184 ASP HB2 H 1 2.600 0.020 . 2 . . . . 410 ASP HB2 . 25646 1 426 . 1 1 184 184 ASP HB3 H 1 2.860 0.020 . 2 . . . . 410 ASP HB3 . 25646 1 427 . 1 1 185 185 ILE HB H 1 2.000 0.020 . 1 . . . . 411 ILE HB . 25646 1 428 . 1 1 185 185 ILE HG12 H 1 1.100 0.020 . 2 . . . . 411 ILE HG12 . 25646 1 429 . 1 1 185 185 ILE HG13 H 1 1.810 0.020 . 2 . . . . 411 ILE HG13 . 25646 1 430 . 1 1 185 185 ILE HG21 H 1 0.920 0.020 . 1 . . . . 411 ILE HG2 . 25646 1 431 . 1 1 185 185 ILE HG22 H 1 0.920 0.020 . 1 . . . . 411 ILE HG2 . 25646 1 432 . 1 1 185 185 ILE HG23 H 1 0.920 0.020 . 1 . . . . 411 ILE HG2 . 25646 1 433 . 1 1 185 185 ILE HD11 H 1 0.785 0.020 . 1 . . . . 411 ILE HD1 . 25646 1 434 . 1 1 185 185 ILE HD12 H 1 0.785 0.020 . 1 . . . . 411 ILE HD1 . 25646 1 435 . 1 1 185 185 ILE HD13 H 1 0.785 0.020 . 1 . . . . 411 ILE HD1 . 25646 1 436 . 1 1 186 186 VAL HB H 1 2.370 0.020 . 1 . . . . 412 VAL HB . 25646 1 437 . 1 1 186 186 VAL HG11 H 1 1.010 0.020 . 2 . . . . 412 VAL HG1 . 25646 1 438 . 1 1 186 186 VAL HG12 H 1 1.010 0.020 . 2 . . . . 412 VAL HG1 . 25646 1 439 . 1 1 186 186 VAL HG13 H 1 1.010 0.020 . 2 . . . . 412 VAL HG1 . 25646 1 440 . 1 1 186 186 VAL HG21 H 1 1.060 0.020 . 2 . . . . 412 VAL HG2 . 25646 1 441 . 1 1 186 186 VAL HG22 H 1 1.060 0.020 . 2 . . . . 412 VAL HG2 . 25646 1 442 . 1 1 186 186 VAL HG23 H 1 1.060 0.020 . 2 . . . . 412 VAL HG2 . 25646 1 443 . 1 1 187 187 GLU HB2 H 1 2.090 0.020 . 1 . . . . 413 GLU HB2 . 25646 1 444 . 1 1 187 187 GLU HB3 H 1 2.090 0.020 . 1 . . . . 413 GLU HB3 . 25646 1 445 . 1 1 187 187 GLU HG2 H 1 2.310 0.020 . 2 . . . . 413 GLU HG2 . 25646 1 446 . 1 1 187 187 GLU HG3 H 1 2.390 0.020 . 2 . . . . 413 GLU HG3 . 25646 1 447 . 1 1 188 188 SER HB2 H 1 3.940 0.020 . 2 . . . . 414 SER HB2 . 25646 1 448 . 1 1 188 188 SER HB3 H 1 4.000 0.020 . 2 . . . . 414 SER HB3 . 25646 1 449 . 1 1 189 189 LEU HB2 H 1 1.940 0.020 . 2 . . . . 415 LEU HB2 . 25646 1 450 . 1 1 189 189 LEU HB3 H 1 1.564 0.020 . 2 . . . . 415 LEU HB3 . 25646 1 451 . 1 1 189 189 LEU HG H 1 1.770 0.020 . 1 . . . . 415 LEU HG . 25646 1 452 . 1 1 189 189 LEU HD11 H 1 0.790 0.020 . 2 . . . . 415 LEU HD1 . 25646 1 453 . 1 1 189 189 LEU HD12 H 1 0.790 0.020 . 2 . . . . 415 LEU HD1 . 25646 1 454 . 1 1 189 189 LEU HD13 H 1 0.790 0.020 . 2 . . . . 415 LEU HD1 . 25646 1 455 . 1 1 189 189 LEU HD21 H 1 0.880 0.020 . 2 . . . . 415 LEU HD2 . 25646 1 456 . 1 1 189 189 LEU HD22 H 1 0.880 0.020 . 2 . . . . 415 LEU HD2 . 25646 1 457 . 1 1 189 189 LEU HD23 H 1 0.880 0.020 . 2 . . . . 415 LEU HD2 . 25646 1 458 . 1 1 190 190 CYS HB2 H 1 2.900 0.020 . 2 . . . . 416 CYS HB2 . 25646 1 459 . 1 1 190 190 CYS HB3 H 1 3.080 0.020 . 2 . . . . 416 CYS HB3 . 25646 1 460 . 1 1 191 191 SER HB2 H 1 3.980 0.020 . 2 . . . . 417 SER HB2 . 25646 1 461 . 1 1 191 191 SER HB3 H 1 4.010 0.020 . 2 . . . . 417 SER HB3 . 25646 1 462 . 1 1 192 192 GLU HB2 H 1 1.990 0.020 . 2 . . . . 418 GLU HB2 . 25646 1 463 . 1 1 192 192 GLU HB3 H 1 2.150 0.020 . 2 . . . . 418 GLU HB3 . 25646 1 464 . 1 1 192 192 GLU HG2 H 1 2.330 0.020 . 1 . . . . 418 GLU HG2 . 25646 1 465 . 1 1 192 192 GLU HG3 H 1 2.330 0.020 . 1 . . . . 418 GLU HG3 . 25646 1 466 . 1 1 195 195 ALA HB1 H 1 1.424 0.020 . 1 . . . . 421 ALA HB . 25646 1 467 . 1 1 195 195 ALA HB2 H 1 1.424 0.020 . 1 . . . . 421 ALA HB . 25646 1 468 . 1 1 195 195 ALA HB3 H 1 1.424 0.020 . 1 . . . . 421 ALA HB . 25646 1 stop_ save_