################################### # 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30107 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 30107 1 2 '2D 1H-1H NOESY' . . . 30107 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 3 $software_3 . . 30107 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 MET HA H 1 4.1210 0.0000 . 1 . . . A 1 MET HA . 30107 1 2 . 1 1 1 1 MET HB2 H 1 2.2118 0.0000 . 2 . . . A 1 MET HB2 . 30107 1 3 . 1 1 1 1 MET HB3 H 1 2.2110 0.0000 . 2 . . . A 1 MET HB3 . 30107 1 4 . 1 1 1 1 MET HG2 H 1 2.4226 0.0000 . 2 . . . A 1 MET HG2 . 30107 1 5 . 1 1 2 2 THR H H 1 8.3045 0.0000 . 1 . . . A 2 THR H . 30107 1 6 . 1 1 2 2 THR HA H 1 4.5623 0.0000 . 1 . . . A 2 THR HA . 30107 1 7 . 1 1 2 2 THR HB H 1 4.3316 0.0000 . 1 . . . A 2 THR HB . 30107 1 8 . 1 1 2 2 THR HG21 H 1 1.3162 0.0000 . 1 . . . A 2 THR HG21 . 30107 1 9 . 1 1 2 2 THR HG22 H 1 1.3162 0.0000 . 1 . . . A 2 THR HG22 . 30107 1 10 . 1 1 2 2 THR HG23 H 1 1.3162 0.0000 . 1 . . . A 2 THR HG23 . 30107 1 11 . 1 1 3 3 GLY H H 1 8.3693 0.0000 . 1 . . . A 3 GLY H . 30107 1 12 . 1 1 3 3 GLY HA2 H 1 4.0571 0.0000 . 2 . . . A 3 GLY HA2 . 30107 1 13 . 1 1 4 4 LEU H H 1 7.9230 0.0000 . 1 . . . A 4 LEU H . 30107 1 14 . 1 1 4 4 LEU HA H 1 4.2235 0.0000 . 1 . . . A 4 LEU HA . 30107 1 15 . 1 1 4 4 LEU HB2 H 1 1.7361 0.0000 . 2 . . . A 4 LEU HB2 . 30107 1 16 . 1 1 4 4 LEU HG H 1 1.6382 0.0000 . 1 . . . A 4 LEU HG . 30107 1 17 . 1 1 4 4 LEU HD11 H 1 0.9935 0.0000 . 2 . . . A 4 LEU HD11 . 30107 1 18 . 1 1 4 4 LEU HD12 H 1 0.9935 0.0000 . 2 . . . A 4 LEU HD12 . 30107 1 19 . 1 1 4 4 LEU HD13 H 1 0.9935 0.0000 . 2 . . . A 4 LEU HD13 . 30107 1 20 . 1 1 4 4 LEU HD21 H 1 0.9432 0.0000 . 2 . . . A 4 LEU HD21 . 30107 1 21 . 1 1 4 4 LEU HD22 H 1 0.9432 0.0000 . 2 . . . A 4 LEU HD22 . 30107 1 22 . 1 1 4 4 LEU HD23 H 1 0.9432 0.0000 . 2 . . . A 4 LEU HD23 . 30107 1 23 . 1 1 5 5 ALA H H 1 7.9427 0.0000 . 1 . . . A 5 ALA H . 30107 1 24 . 1 1 5 5 ALA HA H 1 4.0658 0.0000 . 1 . . . A 5 ALA HA . 30107 1 25 . 1 1 5 5 ALA HB1 H 1 1.5014 0.0000 . 1 . . . A 5 ALA HB1 . 30107 1 26 . 1 1 5 5 ALA HB2 H 1 1.5014 0.0000 . 1 . . . A 5 ALA HB2 . 30107 1 27 . 1 1 5 5 ALA HB3 H 1 1.5014 0.0000 . 1 . . . A 5 ALA HB3 . 30107 1 28 . 1 1 6 6 GLU H H 1 7.6930 0.0000 . 1 . . . A 6 GLU H . 30107 1 29 . 1 1 6 6 GLU HA H 1 4.0961 0.0000 . 1 . . . A 6 GLU HA . 30107 1 30 . 1 1 6 6 GLU HB2 H 1 2.1541 0.0000 . 2 . . . A 6 GLU HB2 . 30107 1 31 . 1 1 6 6 GLU HG2 H 1 2.5408 0.0000 . 2 . . . A 6 GLU HG2 . 30107 1 32 . 1 1 7 7 ALA H H 1 7.9305 0.0000 . 1 . . . A 7 ALA H . 30107 1 33 . 1 1 7 7 ALA HA H 1 4.2078 0.0000 . 1 . . . A 7 ALA HA . 30107 1 34 . 1 1 7 7 ALA HB1 H 1 1.5794 0.0000 . 1 . . . A 7 ALA HB1 . 30107 1 35 . 1 1 7 7 ALA HB2 H 1 1.5794 0.0000 . 1 . . . A 7 ALA HB2 . 30107 1 36 . 1 1 7 7 ALA HB3 H 1 1.5794 0.0000 . 1 . . . A 7 ALA HB3 . 30107 1 37 . 1 1 8 8 ILE H H 1 8.4274 0.0000 . 1 . . . A 8 ILE H . 30107 1 38 . 1 1 8 8 ILE HA H 1 3.7154 0.0000 . 1 . . . A 8 ILE HA . 30107 1 39 . 1 1 8 8 ILE HB H 1 1.9689 0.0000 . 1 . . . A 8 ILE HB . 30107 1 40 . 1 1 8 8 ILE HG12 H 1 1.8093 0.0000 . 2 . . . A 8 ILE HG12 . 30107 1 41 . 1 1 8 8 ILE HG21 H 1 0.9304 0.0000 . 1 . . . A 8 ILE HG21 . 30107 1 42 . 1 1 8 8 ILE HG22 H 1 0.9304 0.0000 . 1 . . . A 8 ILE HG22 . 30107 1 43 . 1 1 8 8 ILE HG23 H 1 0.9304 0.0000 . 1 . . . A 8 ILE HG23 . 30107 1 44 . 1 1 8 8 ILE HD11 H 1 1.1548 0.0000 . 1 . . . A 8 ILE HD11 . 30107 1 45 . 1 1 8 8 ILE HD12 H 1 1.1548 0.0000 . 1 . . . A 8 ILE HD12 . 30107 1 46 . 1 1 8 8 ILE HD13 H 1 1.1548 0.0000 . 1 . . . A 8 ILE HD13 . 30107 1 47 . 1 1 9 9 ALA H H 1 8.2283 0.0000 . 1 . . . A 9 ALA H . 30107 1 48 . 1 1 9 9 ALA HA H 1 4.0645 0.0000 . 1 . . . A 9 ALA HA . 30107 1 49 . 1 1 9 9 ALA HB1 H 1 1.5396 0.0000 . 1 . . . A 9 ALA HB1 . 30107 1 50 . 1 1 9 9 ALA HB2 H 1 1.5396 0.0000 . 1 . . . A 9 ALA HB2 . 30107 1 51 . 1 1 9 9 ALA HB3 H 1 1.5396 0.0000 . 1 . . . A 9 ALA HB3 . 30107 1 52 . 1 1 10 10 ASN H H 1 8.3873 0.0000 . 1 . . . A 10 ASN H . 30107 1 53 . 1 1 10 10 ASN HA H 1 4.5150 0.0000 . 1 . . . A 10 ASN HA . 30107 1 54 . 1 1 10 10 ASN HB2 H 1 2.9866 0.0000 . 2 . . . A 10 ASN HB2 . 30107 1 55 . 1 1 10 10 ASN HB3 H 1 2.8213 0.0000 . 2 . . . A 10 ASN HB3 . 30107 1 56 . 1 1 11 11 THR H H 1 8.0343 0.0000 . 1 . . . A 11 THR H . 30107 1 57 . 1 1 11 11 THR HA H 1 4.5159 0.0000 . 1 . . . A 11 THR HA . 30107 1 58 . 1 1 11 11 THR HB H 1 4.0378 0.0000 . 1 . . . A 11 THR HB . 30107 1 59 . 1 1 11 11 THR HG21 H 1 1.3028 0.0000 . 1 . . . A 11 THR HG21 . 30107 1 60 . 1 1 11 11 THR HG22 H 1 1.3028 0.0000 . 1 . . . A 11 THR HG22 . 30107 1 61 . 1 1 11 11 THR HG23 H 1 1.3028 0.0000 . 1 . . . A 11 THR HG23 . 30107 1 62 . 1 1 12 12 VAL H H 1 8.4950 0.0000 . 1 . . . A 12 VAL H . 30107 1 63 . 1 1 12 12 VAL HA H 1 3.7116 0.0000 . 1 . . . A 12 VAL HA . 30107 1 64 . 1 1 12 12 VAL HB H 1 2.2108 0.0000 . 1 . . . A 12 VAL HB . 30107 1 65 . 1 1 12 12 VAL HG11 H 1 0.9830 0.0000 . 2 . . . A 12 VAL HG11 . 30107 1 66 . 1 1 12 12 VAL HG12 H 1 0.9830 0.0000 . 2 . . . A 12 VAL HG12 . 30107 1 67 . 1 1 12 12 VAL HG13 H 1 0.9830 0.0000 . 2 . . . A 12 VAL HG13 . 30107 1 68 . 1 1 12 12 VAL HG21 H 1 1.0900 0.0000 . 2 . . . A 12 VAL HG21 . 30107 1 69 . 1 1 12 12 VAL HG22 H 1 1.0900 0.0000 . 2 . . . A 12 VAL HG22 . 30107 1 70 . 1 1 12 12 VAL HG23 H 1 1.0900 0.0000 . 2 . . . A 12 VAL HG23 . 30107 1 71 . 1 1 13 13 GLN H H 1 8.1895 0.0000 . 1 . . . A 13 GLN H . 30107 1 72 . 1 1 13 13 GLN HA H 1 4.1254 0.0000 . 1 . . . A 13 GLN HA . 30107 1 73 . 1 1 13 13 GLN HB2 H 1 2.2659 0.0000 . 2 . . . A 13 GLN HB2 . 30107 1 74 . 1 1 13 13 GLN HB3 H 1 2.2178 0.0000 . 2 . . . A 13 GLN HB3 . 30107 1 75 . 1 1 13 13 GLN HG2 H 1 2.5832 0.0000 . 2 . . . A 13 GLN HG2 . 30107 1 76 . 1 1 13 13 GLN HG3 H 1 2.4210 0.0000 . 2 . . . A 13 GLN HG3 . 30107 1 77 . 1 1 14 14 ALA H H 1 8.0477 0.0000 . 1 . . . A 14 ALA H . 30107 1 78 . 1 1 14 14 ALA HA H 1 4.2082 0.0000 . 1 . . . A 14 ALA HA . 30107 1 79 . 1 1 14 14 ALA HB1 H 1 1.5969 0.0000 . 1 . . . A 14 ALA HB1 . 30107 1 80 . 1 1 14 14 ALA HB2 H 1 1.5969 0.0000 . 1 . . . A 14 ALA HB2 . 30107 1 81 . 1 1 14 14 ALA HB3 H 1 1.5969 0.0000 . 1 . . . A 14 ALA HB3 . 30107 1 82 . 1 1 15 15 ALA H H 1 8.3291 0.0000 . 1 . . . A 15 ALA H . 30107 1 83 . 1 1 15 15 ALA HA H 1 4.1650 0.0000 . 1 . . . A 15 ALA HA . 30107 1 84 . 1 1 15 15 ALA HB1 H 1 1.6002 0.0000 . 1 . . . A 15 ALA HB1 . 30107 1 85 . 1 1 15 15 ALA HB2 H 1 1.6002 0.0000 . 1 . . . A 15 ALA HB2 . 30107 1 86 . 1 1 15 15 ALA HB3 H 1 1.6002 0.0000 . 1 . . . A 15 ALA HB3 . 30107 1 87 . 1 1 16 16 GLN H H 1 8.2156 0.0000 . 1 . . . A 16 GLN H . 30107 1 88 . 1 1 16 16 GLN HA H 1 4.1758 0.0000 . 1 . . . A 16 GLN HA . 30107 1 89 . 1 1 16 16 GLN HB2 H 1 2.2090 0.0000 . 2 . . . A 16 GLN HB2 . 30107 1 90 . 1 1 16 16 GLN HG2 H 1 2.4268 0.0000 . 2 . . . A 16 GLN HG2 . 30107 1 91 . 1 1 16 16 GLN HG3 H 1 2.5675 0.0000 . 2 . . . A 16 GLN HG3 . 30107 1 92 . 1 1 17 17 GLN H H 1 6.9539 0.0000 . 1 . . . A 17 GLN H . 30107 1 93 . 1 1 17 17 GLN HA H 1 4.1636 0.0000 . 1 . . . A 17 GLN HA . 30107 1 94 . 1 1 17 17 GLN HB2 H 1 2.3033 0.0000 . 2 . . . A 17 GLN HB2 . 30107 1 95 . 1 1 17 17 GLN HB3 H 1 2.2450 0.0000 . 2 . . . A 17 GLN HB3 . 30107 1 96 . 1 1 17 17 GLN HG2 H 1 2.6309 0.0000 . 2 . . . A 17 GLN HG2 . 30107 1 97 . 1 1 17 17 GLN HG3 H 1 2.4714 0.0000 . 2 . . . A 17 GLN HG3 . 30107 1 98 . 1 1 18 18 HIS H H 1 8.2722 0.0000 . 1 . . . A 18 HIS H . 30107 1 99 . 1 1 18 18 HIS HA H 1 4.5052 0.0000 . 1 . . . A 18 HIS HA . 30107 1 100 . 1 1 18 18 HIS HB2 H 1 3.4363 0.0000 . 2 . . . A 18 HIS HB2 . 30107 1 101 . 1 1 18 18 HIS HB3 H 1 3.3824 0.0000 . 2 . . . A 18 HIS HB3 . 30107 1 102 . 1 1 18 18 HIS HD1 H 1 7.3862 0.0000 . 1 . . . A 18 HIS HD1 . 30107 1 103 . 1 1 18 18 HIS HD2 H 1 8.4685 0.0000 . 1 . . . A 18 HIS HD2 . 30107 1 104 . 1 1 18 18 HIS HE1 H 1 8.2700 0.0000 . 1 . . . A 18 HIS HE1 . 30107 1 105 . 1 1 18 18 HIS HE2 H 1 8.6035 0.0000 . 1 . . . A 18 HIS HE2 . 30107 1 106 . 1 1 19 19 ASP H H 1 8.4648 0.0000 . 1 . . . A 19 ASP H . 30107 1 107 . 1 1 19 19 ASP HA H 1 4.6646 0.0000 . 1 . . . A 19 ASP HA . 30107 1 108 . 1 1 19 19 ASP HB2 H 1 3.0461 0.0000 . 2 . . . A 19 ASP HB2 . 30107 1 109 . 1 1 19 19 ASP HB3 H 1 2.9756 0.0000 . 2 . . . A 19 ASP HB3 . 30107 1 110 . 1 1 20 20 SER H H 1 8.1809 0.0000 . 1 . . . A 20 SER H . 30107 1 111 . 1 1 20 20 SER HA H 1 4.3481 0.0000 . 1 . . . A 20 SER HA . 30107 1 112 . 1 1 20 20 SER HB2 H 1 4.0787 0.0000 . 2 . . . A 20 SER HB2 . 30107 1 113 . 1 1 20 20 SER HG H 1 4.0356 0.0000 . 1 . . . A 20 SER HG . 30107 1 114 . 1 1 21 21 VAL H H 1 7.7656 0.0000 . 1 . . . A 21 VAL H . 30107 1 115 . 1 1 21 21 VAL HA H 1 3.9975 0.0000 . 1 . . . A 21 VAL HA . 30107 1 116 . 1 1 21 21 VAL HB H 1 2.1963 0.0000 . 1 . . . A 21 VAL HB . 30107 1 117 . 1 1 21 21 VAL HG21 H 1 1.0019 0.0000 . 2 . . . A 21 VAL HG21 . 30107 1 118 . 1 1 21 21 VAL HG22 H 1 1.0019 0.0000 . 2 . . . A 21 VAL HG22 . 30107 1 119 . 1 1 21 21 VAL HG23 H 1 1.0019 0.0000 . 2 . . . A 21 VAL HG23 . 30107 1 120 . 1 1 22 22 LYS H H 1 7.9507 0.0000 . 1 . . . A 22 LYS H . 30107 1 121 . 1 1 22 22 LYS HA H 1 4.1998 0.0000 . 1 . . . A 22 LYS HA . 30107 1 122 . 1 1 22 22 LYS HB2 H 1 1.9612 0.0000 . 2 . . . A 22 LYS HB2 . 30107 1 123 . 1 1 22 22 LYS HB3 H 1 1.9011 0.0000 . 2 . . . A 22 LYS HB3 . 30107 1 124 . 1 1 22 22 LYS HG2 H 1 1.5365 0.0000 . 2 . . . A 22 LYS HG2 . 30107 1 125 . 1 1 22 22 LYS HG3 H 1 1.4760 0.0000 . 2 . . . A 22 LYS HG3 . 30107 1 126 . 1 1 22 22 LYS HD2 H 1 1.7472 0.0000 . 2 . . . A 22 LYS HD2 . 30107 1 127 . 1 1 22 22 LYS HE2 H 1 3.0328 0.0000 . 2 . . . A 22 LYS HE2 . 30107 1 128 . 1 1 22 22 LYS HE3 H 1 3.0325 0.0000 . 2 . . . A 22 LYS HE3 . 30107 1 129 . 1 1 23 23 LEU H H 1 8.0937 0.0000 . 1 . . . A 23 LEU H . 30107 1 130 . 1 1 23 23 LEU HA H 1 4.2835 0.0000 . 1 . . . A 23 LEU HA . 30107 1 131 . 1 1 23 23 LEU HB2 H 1 1.7496 0.0000 . 2 . . . A 23 LEU HB2 . 30107 1 132 . 1 1 23 23 LEU HD11 H 1 0.9642 0.0000 . 2 . . . A 23 LEU HD11 . 30107 1 133 . 1 1 23 23 LEU HD12 H 1 0.9642 0.0000 . 2 . . . A 23 LEU HD12 . 30107 1 134 . 1 1 23 23 LEU HD13 H 1 0.9642 0.0000 . 2 . . . A 23 LEU HD13 . 30107 1 135 . 1 1 23 23 LEU HD21 H 1 0.9358 0.0000 . 2 . . . A 23 LEU HD21 . 30107 1 136 . 1 1 23 23 LEU HD22 H 1 0.9358 0.0000 . 2 . . . A 23 LEU HD22 . 30107 1 137 . 1 1 23 23 LEU HD23 H 1 0.9358 0.0000 . 2 . . . A 23 LEU HD23 . 30107 1 138 . 1 1 24 24 GLY H H 1 8.2902 0.0000 . 1 . . . A 24 GLY H . 30107 1 139 . 1 1 24 24 GLY HA2 H 1 3.9278 0.0000 . 2 . . . A 24 GLY HA2 . 30107 1 140 . 1 1 24 24 GLY HA3 H 1 3.9809 0.0000 . 2 . . . A 24 GLY HA3 . 30107 1 141 . 1 1 25 25 THR H H 1 8.0146 0.0000 . 1 . . . A 25 THR H . 30107 1 142 . 1 1 25 25 THR HA H 1 4.2018 0.0000 . 1 . . . A 25 THR HA . 30107 1 143 . 1 1 25 25 THR HB H 1 4.3242 0.0000 . 1 . . . A 25 THR HB . 30107 1 144 . 1 1 25 25 THR HG21 H 1 1.3261 0.0000 . 1 . . . A 25 THR HG21 . 30107 1 145 . 1 1 25 25 THR HG22 H 1 1.3261 0.0000 . 1 . . . A 25 THR HG22 . 30107 1 146 . 1 1 25 25 THR HG23 H 1 1.3261 0.0000 . 1 . . . A 25 THR HG23 . 30107 1 147 . 1 1 26 26 SER H H 1 7.9170 0.0000 . 1 . . . A 26 SER H . 30107 1 148 . 1 1 26 26 SER HA H 1 4.4832 0.0000 . 1 . . . A 26 SER HA . 30107 1 149 . 1 1 26 26 SER HB2 H 1 4.1779 0.0000 . 2 . . . A 26 SER HB2 . 30107 1 150 . 1 1 27 27 ILE H H 1 7.9725 0.0000 . 1 . . . A 27 ILE H . 30107 1 151 . 1 1 27 27 ILE HA H 1 3.9910 0.0000 . 1 . . . A 27 ILE HA . 30107 1 152 . 1 1 27 27 ILE HB H 1 2.0295 0.0000 . 1 . . . A 27 ILE HB . 30107 1 153 . 1 1 27 27 ILE HG12 H 1 1.2982 0.0000 . 2 . . . A 27 ILE HG12 . 30107 1 154 . 1 1 27 27 ILE HG13 H 1 1.6762 0.0000 . 2 . . . A 27 ILE HG13 . 30107 1 155 . 1 1 27 27 ILE HG21 H 1 0.9798 0.0000 . 1 . . . A 27 ILE HG21 . 30107 1 156 . 1 1 27 27 ILE HG22 H 1 0.9798 0.0000 . 1 . . . A 27 ILE HG22 . 30107 1 157 . 1 1 27 27 ILE HG23 H 1 0.9798 0.0000 . 1 . . . A 27 ILE HG23 . 30107 1 158 . 1 1 27 27 ILE HD11 H 1 0.9084 0.0000 . 1 . . . A 27 ILE HD11 . 30107 1 159 . 1 1 27 27 ILE HD12 H 1 0.9084 0.0000 . 1 . . . A 27 ILE HD12 . 30107 1 160 . 1 1 27 27 ILE HD13 H 1 0.9084 0.0000 . 1 . . . A 27 ILE HD13 . 30107 1 161 . 1 1 28 28 VAL H H 1 7.6977 0.0000 . 1 . . . A 28 VAL H . 30107 1 162 . 1 1 28 28 VAL HA H 1 3.6869 0.0000 . 1 . . . A 28 VAL HA . 30107 1 163 . 1 1 28 28 VAL HB H 1 2.1371 0.0000 . 1 . . . A 28 VAL HB . 30107 1 164 . 1 1 28 28 VAL HG11 H 1 0.9976 0.0000 . 2 . . . A 28 VAL HG11 . 30107 1 165 . 1 1 28 28 VAL HG12 H 1 0.9976 0.0000 . 2 . . . A 28 VAL HG12 . 30107 1 166 . 1 1 28 28 VAL HG13 H 1 0.9976 0.0000 . 2 . . . A 28 VAL HG13 . 30107 1 167 . 1 1 28 28 VAL HG21 H 1 1.0779 0.0000 . 2 . . . A 28 VAL HG21 . 30107 1 168 . 1 1 28 28 VAL HG22 H 1 1.0779 0.0000 . 2 . . . A 28 VAL HG22 . 30107 1 169 . 1 1 28 28 VAL HG23 H 1 1.0779 0.0000 . 2 . . . A 28 VAL HG23 . 30107 1 170 . 1 1 29 29 ASP H H 1 7.8482 0.0000 . 1 . . . A 29 ASP H . 30107 1 171 . 1 1 29 29 ASP HA H 1 4.4884 0.0000 . 1 . . . A 29 ASP HA . 30107 1 172 . 1 1 29 29 ASP HB2 H 1 3.0894 0.0000 . 2 . . . A 29 ASP HB2 . 30107 1 173 . 1 1 30 30 ILE H H 1 7.8803 0.0000 . 1 . . . A 30 ILE H . 30107 1 174 . 1 1 30 30 ILE HA H 1 3.8640 0.0000 . 1 . . . A 30 ILE HA . 30107 1 175 . 1 1 30 30 ILE HB H 1 2.1405 0.0000 . 1 . . . A 30 ILE HB . 30107 1 176 . 1 1 30 30 ILE HG12 H 1 1.2166 0.0000 . 2 . . . A 30 ILE HG12 . 30107 1 177 . 1 1 30 30 ILE HG21 H 1 0.9777 0.0000 . 1 . . . A 30 ILE HG21 . 30107 1 178 . 1 1 30 30 ILE HG22 H 1 0.9777 0.0000 . 1 . . . A 30 ILE HG22 . 30107 1 179 . 1 1 30 30 ILE HG23 H 1 0.9777 0.0000 . 1 . . . A 30 ILE HG23 . 30107 1 180 . 1 1 30 30 ILE HD11 H 1 0.9016 0.0000 . 1 . . . A 30 ILE HD11 . 30107 1 181 . 1 1 30 30 ILE HD12 H 1 0.9016 0.0000 . 1 . . . A 30 ILE HD12 . 30107 1 182 . 1 1 30 30 ILE HD13 H 1 0.9016 0.0000 . 1 . . . A 30 ILE HD13 . 30107 1 183 . 1 1 31 31 VAL H H 1 8.2474 0.0000 . 1 . . . A 31 VAL H . 30107 1 184 . 1 1 31 31 VAL HA H 1 3.7637 0.0000 . 1 . . . A 31 VAL HA . 30107 1 185 . 1 1 31 31 VAL HB H 1 2.2037 0.0000 . 1 . . . A 31 VAL HB . 30107 1 186 . 1 1 31 31 VAL HG11 H 1 1.0816 0.0000 . 2 . . . A 31 VAL HG11 . 30107 1 187 . 1 1 31 31 VAL HG12 H 1 1.0816 0.0000 . 2 . . . A 31 VAL HG12 . 30107 1 188 . 1 1 31 31 VAL HG13 H 1 1.0816 0.0000 . 2 . . . A 31 VAL HG13 . 30107 1 189 . 1 1 31 31 VAL HG21 H 1 0.9770 0.0000 . 2 . . . A 31 VAL HG21 . 30107 1 190 . 1 1 31 31 VAL HG22 H 1 0.9770 0.0000 . 2 . . . A 31 VAL HG22 . 30107 1 191 . 1 1 31 31 VAL HG23 H 1 0.9770 0.0000 . 2 . . . A 31 VAL HG23 . 30107 1 192 . 1 1 32 32 ALA H H 1 8.6888 0.0000 . 1 . . . A 32 ALA H . 30107 1 193 . 1 1 32 32 ALA HA H 1 4.1480 0.0000 . 1 . . . A 32 ALA HA . 30107 1 194 . 1 1 32 32 ALA HB1 H 1 1.5225 0.0000 . 1 . . . A 32 ALA HB1 . 30107 1 195 . 1 1 32 32 ALA HB2 H 1 1.5225 0.0000 . 1 . . . A 32 ALA HB2 . 30107 1 196 . 1 1 32 32 ALA HB3 H 1 1.5225 0.0000 . 1 . . . A 32 ALA HB3 . 30107 1 197 . 1 1 33 33 ASN H H 1 7.8489 0.0000 . 1 . . . A 33 ASN H . 30107 1 198 . 1 1 33 33 ASN HA H 1 4.6737 0.0000 . 1 . . . A 33 ASN HA . 30107 1 199 . 1 1 33 33 ASN HB2 H 1 2.8316 0.0000 . 2 . . . A 33 ASN HB2 . 30107 1 200 . 1 1 33 33 ASN HB3 H 1 2.9426 0.0000 . 2 . . . A 33 ASN HB3 . 30107 1 201 . 1 1 34 34 GLY H H 1 8.2242 0.0000 . 1 . . . A 34 GLY H . 30107 1 202 . 1 1 34 34 GLY HA2 H 1 3.9979 0.0000 . 2 . . . A 34 GLY HA2 . 30107 1 203 . 1 1 35 35 VAL H H 1 8.2354 0.0000 . 1 . . . A 35 VAL H . 30107 1 204 . 1 1 35 35 VAL HA H 1 3.9448 0.0000 . 1 . . . A 35 VAL HA . 30107 1 205 . 1 1 35 35 VAL HB H 1 2.2441 0.0000 . 1 . . . A 35 VAL HB . 30107 1 206 . 1 1 35 35 VAL HG11 H 1 1.0904 0.0000 . 2 . . . A 35 VAL HG11 . 30107 1 207 . 1 1 35 35 VAL HG12 H 1 1.0904 0.0000 . 2 . . . A 35 VAL HG12 . 30107 1 208 . 1 1 35 35 VAL HG13 H 1 1.0904 0.0000 . 2 . . . A 35 VAL HG13 . 30107 1 209 . 1 1 35 35 VAL HG21 H 1 1.0319 0.0000 . 2 . . . A 35 VAL HG21 . 30107 1 210 . 1 1 35 35 VAL HG22 H 1 1.0319 0.0000 . 2 . . . A 35 VAL HG22 . 30107 1 211 . 1 1 35 35 VAL HG23 H 1 1.0319 0.0000 . 2 . . . A 35 VAL HG23 . 30107 1 212 . 1 1 36 36 GLY H H 1 8.1230 0.0000 . 1 . . . A 36 GLY H . 30107 1 213 . 1 1 36 36 GLY HA2 H 1 3.9361 0.0000 . 2 . . . A 36 GLY HA2 . 30107 1 214 . 1 1 37 37 LEU H H 1 7.8367 0.0000 . 1 . . . A 37 LEU H . 30107 1 215 . 1 1 37 37 LEU HA H 1 4.2396 0.0000 . 1 . . . A 37 LEU HA . 30107 1 216 . 1 1 37 37 LEU HB2 H 1 1.7893 0.0000 . 2 . . . A 37 LEU HB2 . 30107 1 217 . 1 1 37 37 LEU HG H 1 1.7240 0.0000 . 1 . . . A 37 LEU HG . 30107 1 218 . 1 1 37 37 LEU HD11 H 1 0.9355 0.0000 . 2 . . . A 37 LEU HD11 . 30107 1 219 . 1 1 37 37 LEU HD12 H 1 0.9355 0.0000 . 2 . . . A 37 LEU HD12 . 30107 1 220 . 1 1 37 37 LEU HD13 H 1 0.9355 0.0000 . 2 . . . A 37 LEU HD13 . 30107 1 221 . 1 1 37 37 LEU HD21 H 1 0.9689 0.0000 . 2 . . . A 37 LEU HD21 . 30107 1 222 . 1 1 37 37 LEU HD22 H 1 0.9689 0.0000 . 2 . . . A 37 LEU HD22 . 30107 1 223 . 1 1 37 37 LEU HD23 H 1 0.9689 0.0000 . 2 . . . A 37 LEU HD23 . 30107 1 224 . 1 1 38 38 LEU H H 1 7.9991 0.0000 . 1 . . . A 38 LEU H . 30107 1 225 . 1 1 38 38 LEU HA H 1 4.1178 0.0000 . 1 . . . A 38 LEU HA . 30107 1 226 . 1 1 38 38 LEU HB2 H 1 1.9173 0.0000 . 2 . . . A 38 LEU HB2 . 30107 1 227 . 1 1 38 38 LEU HB3 H 1 1.8524 0.0000 . 2 . . . A 38 LEU HB3 . 30107 1 228 . 1 1 38 38 LEU HG H 1 1.6589 0.0000 . 1 . . . A 38 LEU HG . 30107 1 229 . 1 1 38 38 LEU HD11 H 1 0.9487 0.0000 . 2 . . . A 38 LEU HD11 . 30107 1 230 . 1 1 38 38 LEU HD12 H 1 0.9487 0.0000 . 2 . . . A 38 LEU HD12 . 30107 1 231 . 1 1 38 38 LEU HD13 H 1 0.9487 0.0000 . 2 . . . A 38 LEU HD13 . 30107 1 232 . 1 1 38 38 LEU HD21 H 1 0.9819 0.0000 . 2 . . . A 38 LEU HD21 . 30107 1 233 . 1 1 38 38 LEU HD22 H 1 0.9819 0.0000 . 2 . . . A 38 LEU HD22 . 30107 1 234 . 1 1 38 38 LEU HD23 H 1 0.9819 0.0000 . 2 . . . A 38 LEU HD23 . 30107 1 235 . 1 1 39 39 GLY H H 1 8.1307 0.0000 . 1 . . . A 39 GLY H . 30107 1 236 . 1 1 39 39 GLY HA2 H 1 3.7572 0.0000 . 2 . . . A 39 GLY HA2 . 30107 1 237 . 1 1 39 39 GLY HA3 H 1 3.6477 0.0000 . 2 . . . A 39 GLY HA3 . 30107 1 238 . 1 1 40 40 LYS H H 1 7.6784 0.0000 . 1 . . . A 40 LYS H . 30107 1 239 . 1 1 40 40 LYS HA H 1 4.2325 0.0000 . 1 . . . A 40 LYS HA . 30107 1 240 . 1 1 40 40 LYS HB2 H 1 2.0004 0.0000 . 2 . . . A 40 LYS HB2 . 30107 1 241 . 1 1 40 40 LYS HB3 H 1 1.9538 0.0000 . 2 . . . A 40 LYS HB3 . 30107 1 242 . 1 1 40 40 LYS HG2 H 1 1.5884 0.0000 . 2 . . . A 40 LYS HG2 . 30107 1 243 . 1 1 40 40 LYS HG3 H 1 1.5320 0.0000 . 2 . . . A 40 LYS HG3 . 30107 1 244 . 1 1 40 40 LYS HD2 H 1 1.7286 0.0000 . 2 . . . A 40 LYS HD2 . 30107 1 245 . 1 1 40 40 LYS HE2 H 1 3.0198 0.0000 . 2 . . . A 40 LYS HE2 . 30107 1 246 . 1 1 41 41 LEU H H 1 7.9858 0.0000 . 1 . . . A 41 LEU H . 30107 1 247 . 1 1 41 41 LEU HA H 1 4.1058 0.0000 . 1 . . . A 41 LEU HA . 30107 1 248 . 1 1 41 41 LEU HB2 H 1 1.5894 0.0000 . 2 . . . A 41 LEU HB2 . 30107 1 249 . 1 1 41 41 LEU HG H 1 1.1642 0.0000 . 1 . . . A 41 LEU HG . 30107 1 250 . 1 1 41 41 LEU HD21 H 1 0.7551 0.0000 . 2 . . . A 41 LEU HD21 . 30107 1 251 . 1 1 41 41 LEU HD22 H 1 0.7551 0.0000 . 2 . . . A 41 LEU HD22 . 30107 1 252 . 1 1 41 41 LEU HD23 H 1 0.7551 0.0000 . 2 . . . A 41 LEU HD23 . 30107 1 253 . 1 1 42 42 PHE H H 1 7.8613 0.0000 . 1 . . . A 42 PHE H . 30107 1 254 . 1 1 42 42 PHE HA H 1 4.7145 0.0000 . 1 . . . A 42 PHE HA . 30107 1 255 . 1 1 42 42 PHE HB2 H 1 3.3326 0.0000 . 2 . . . A 42 PHE HB2 . 30107 1 256 . 1 1 42 42 PHE HB3 H 1 2.9217 0.0000 . 2 . . . A 42 PHE HB3 . 30107 1 257 . 1 1 42 42 PHE HD2 H 1 7.3204 0.0000 . 3 . . . A 42 PHE HD2 . 30107 1 258 . 1 1 42 42 PHE HE2 H 1 7.2982 0.0000 . 3 . . . A 42 PHE HE2 . 30107 1 259 . 1 1 43 43 GLY H H 1 7.7331 0.0000 . 1 . . . A 43 GLY H . 30107 1 260 . 1 1 43 43 GLY HA2 H 1 4.0914 0.0000 . 2 . . . A 43 GLY HA2 . 30107 1 261 . 1 1 43 43 GLY HA3 H 1 3.9045 0.0000 . 2 . . . A 43 GLY HA3 . 30107 1 262 . 1 1 44 44 PHE H H 1 7.8179 0.0000 . 1 . . . A 44 PHE H . 30107 1 263 . 1 1 44 44 PHE HA H 1 4.7749 0.0000 . 1 . . . A 44 PHE HA . 30107 1 264 . 1 1 44 44 PHE HB2 H 1 3.2125 0.0000 . 2 . . . A 44 PHE HB2 . 30107 1 265 . 1 1 44 44 PHE HB3 H 1 3.0798 0.0000 . 2 . . . A 44 PHE HB3 . 30107 1 266 . 1 1 44 44 PHE HD2 H 1 7.2651 0.0000 . 3 . . . A 44 PHE HD2 . 30107 1 267 . 1 1 44 44 PHE HE2 H 1 7.3185 0.0000 . 3 . . . A 44 PHE HE2 . 30107 1 stop_ save_