################################### # 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 17527 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method '1H chemical shift error derivation came from the resonance list from SPARKY software.' _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 DQF-COSY' . . . 17527 1 2 '2D 1H-1H NOESY' . . . 17527 1 3 '2D 1H-1H TOCSY' . . . 17527 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '2H isotope effect' . . . . 17527 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 . 2 2 1 1 FUC H1 H 1 4.838 0.001 . 1 . . . . 1 FUC H1 . 17527 1 2 . 2 2 1 1 FUC H2 H 1 3.668 0.005 . 1 . . . . 1 FUC H2 . 17527 1 3 . 2 2 1 1 FUC H3 H 1 3.764 0.001 . 1 . . . . 1 FUC H3 . 17527 1 4 . 2 2 1 1 FUC H4 H 1 3.865 0.002 . 1 . . . . 1 FUC H4 . 17527 1 5 . 2 2 1 1 FUC H5 H 1 4.12 0.001 . 1 . . . . 1 FUC H5 . 17527 1 6 . 2 2 1 1 FUC H61 H 1 1.029 0.002 . 1 . . . . 1 FUC H6 . 17527 1 7 . 2 2 1 1 FUC H62 H 1 1.029 0.002 . 1 . . . . 1 FUC H6 . 17527 1 8 . 2 2 1 1 FUC H63 H 1 1.029 0.002 . 1 . . . . 1 FUC H6 . 17527 1 9 . 1 1 1 1 ASP HA H 1 4.214 0.001 . 1 . . . . 1 ASP HA . 17527 1 10 . 1 1 1 1 ASP HB2 H 1 2.754 0 . 2 . . . . 1 ASP HB2 . 17527 1 11 . 1 1 1 1 ASP HB3 H 1 2.6 0 . 2 . . . . 1 ASP HB3 . 17527 1 12 . 1 1 2 2 VAL H H 1 8.549 0.004 . 1 . . . . 2 VAL H . 17527 1 13 . 1 1 2 2 VAL HA H 1 4.072 0.006 . 1 . . . . 2 VAL HA . 17527 1 14 . 1 1 2 2 VAL HB H 1 2 0 . 1 . . . . 2 VAL HB . 17527 1 15 . 1 1 2 2 VAL HG11 H 1 0.831 0.005 . 1 . . . . 2 VAL HG1 . 17527 1 16 . 1 1 2 2 VAL HG12 H 1 0.831 0.005 . 1 . . . . 2 VAL HG1 . 17527 1 17 . 1 1 2 2 VAL HG13 H 1 0.831 0.005 . 1 . . . . 2 VAL HG1 . 17527 1 18 . 1 1 2 2 VAL HG21 H 1 0.831 0.005 . 1 . . . . 2 VAL HG2 . 17527 1 19 . 1 1 2 2 VAL HG22 H 1 0.831 0.005 . 1 . . . . 2 VAL HG2 . 17527 1 20 . 1 1 2 2 VAL HG23 H 1 0.831 0.005 . 1 . . . . 2 VAL HG2 . 17527 1 21 . 1 1 3 3 ASN H H 1 8.457 0.003 . 1 . . . . 3 ASN H . 17527 1 22 . 1 1 3 3 ASN HA H 1 4.667 0.004 . 1 . . . . 3 ASN HA . 17527 1 23 . 1 1 3 3 ASN HB2 H 1 2.692 0.004 . 1 . . . . 3 ASN HB2 . 17527 1 24 . 1 1 3 3 ASN HB3 H 1 2.692 0.004 . 1 . . . . 3 ASN HB3 . 17527 1 25 . 1 1 3 3 ASN HD21 H 1 6.843 0.001 . 2 . . . . 3 ASN HD21 . 17527 1 26 . 1 1 3 3 ASN HD22 H 1 7.521 0.002 . 2 . . . . 3 ASN HD22 . 17527 1 27 . 1 1 4 4 GLU H H 1 8.485 0.001 . 1 . . . . 4 GLU H . 17527 1 28 . 1 1 4 4 GLU HA H 1 4.25 0 . 1 . . . . 4 GLU HA . 17527 1 29 . 1 1 4 4 GLU HB2 H 1 2.285 0 . 2 . . . . 4 GLU HB2 . 17527 1 30 . 1 1 4 4 GLU HB3 H 1 2.285 0 . 2 . . . . 4 GLU HB3 . 17527 1 31 . 1 1 4 4 GLU HG2 H 1 2.002 0.002 . 2 . . . . 4 GLU HG2 . 17527 1 32 . 1 1 4 4 GLU HG3 H 1 1.824 0.005 . 2 . . . . 4 GLU HG3 . 17527 1 33 . 1 1 5 5 CYS H H 1 8.726 0.002 . 1 . . . . 5 CYS H . 17527 1 34 . 1 1 5 5 CYS HA H 1 4.254 0.004 . 1 . . . . 5 CYS HA . 17527 1 35 . 1 1 5 5 CYS HB2 H 1 3.156 0.004 . 2 . . . . 5 CYS HB2 . 17527 1 36 . 1 1 5 5 CYS HB3 H 1 2.859 0.005 . 2 . . . . 5 CYS HB3 . 17527 1 37 . 1 1 6 6 ILE H H 1 7.897 0.003 . 1 . . . . 6 ILE H . 17527 1 38 . 1 1 6 6 ILE HA H 1 3.859 0.003 . 1 . . . . 6 ILE HA . 17527 1 39 . 1 1 6 6 ILE HB H 1 1.797 0.005 . 1 . . . . 6 ILE HB . 17527 1 40 . 1 1 6 6 ILE HG12 H 1 1.412 0.005 . 2 . . . . 6 ILE HG12 . 17527 1 41 . 1 1 6 6 ILE HG13 H 1 1.19 0.002 . 2 . . . . 6 ILE HG13 . 17527 1 42 . 1 1 6 6 ILE HG21 H 1 0.833 0.004 . 1 . . . . 6 ILE HG2 . 17527 1 43 . 1 1 6 6 ILE HG22 H 1 0.833 0.004 . 1 . . . . 6 ILE HG2 . 17527 1 44 . 1 1 6 6 ILE HG23 H 1 0.833 0.004 . 1 . . . . 6 ILE HG2 . 17527 1 45 . 1 1 6 6 ILE HD11 H 1 0.791 0 . 1 . . . . 6 ILE HD1 . 17527 1 46 . 1 1 6 6 ILE HD12 H 1 0.791 0 . 1 . . . . 6 ILE HD1 . 17527 1 47 . 1 1 6 6 ILE HD13 H 1 0.791 0 . 1 . . . . 6 ILE HD1 . 17527 1 48 . 1 1 7 7 SER H H 1 7.553 0.002 . 1 . . . . 7 SER H . 17527 1 49 . 1 1 7 7 SER HA H 1 4.328 0.001 . 1 . . . . 7 SER HA . 17527 1 50 . 1 1 7 7 SER HB2 H 1 3.677 0.005 . 1 . . . . 7 SER HB2 . 17527 1 51 . 1 1 7 7 SER HB3 H 1 3.677 0.005 . 1 . . . . 7 SER HB3 . 17527 1 52 . 1 1 8 8 ASN H H 1 8.011 0.002 . 1 . . . . 8 ASN H . 17527 1 53 . 1 1 8 8 ASN HA H 1 4.618 0.003 . 1 . . . . 8 ASN HA . 17527 1 54 . 1 1 8 8 ASN HB2 H 1 2.875 0.002 . 2 . . . . 8 ASN HB2 . 17527 1 55 . 1 1 8 8 ASN HB3 H 1 2.725 0.004 . 2 . . . . 8 ASN HB3 . 17527 1 56 . 1 1 8 8 ASN HD21 H 1 6.576 0.001 . 2 . . . . 8 ASN HD21 . 17527 1 57 . 1 1 8 8 ASN HD22 H 1 7.34 0.002 . 2 . . . . 8 ASN HD22 . 17527 1 58 . 1 1 9 9 PRO HA H 1 4.32 0.002 . 1 . . . . 9 PRO HA . 17527 1 59 . 1 1 9 9 PRO HB2 H 1 1.74 0.005 . 2 . . . . 9 PRO HB2 . 17527 1 60 . 1 1 9 9 PRO HB3 H 1 1.6 0.004 . 2 . . . . 9 PRO HB3 . 17527 1 61 . 1 1 9 9 PRO HG2 H 1 1.483 0.006 . 2 . . . . 9 PRO HG2 . 17527 1 62 . 1 1 9 9 PRO HG3 H 1 1.166 0.002 . 2 . . . . 9 PRO HG3 . 17527 1 63 . 1 1 9 9 PRO HD2 H 1 3.656 0.004 . 2 . . . . 9 PRO HD2 . 17527 1 64 . 1 1 9 9 PRO HD3 H 1 3.556 0.002 . 2 . . . . 9 PRO HD3 . 17527 1 65 . 1 1 10 10 CYS H H 1 8.061 0.001 . 1 . . . . 10 CYS H . 17527 1 66 . 1 1 10 10 CYS HA H 1 4.544 0.001 . 1 . . . . 10 CYS HA . 17527 1 67 . 1 1 10 10 CYS HB2 H 1 2.753 0.002 . 2 . . . . 10 CYS HB2 . 17527 1 68 . 1 1 10 10 CYS HB3 H 1 2.569 0.004 . 2 . . . . 10 CYS HB3 . 17527 1 69 . 1 1 11 11 GLN H H 1 8.847 0.001 . 1 . . . . 11 GLN H . 17527 1 70 . 1 1 11 11 GLN HA H 1 4.285 0.003 . 1 . . . . 11 GLN HA . 17527 1 71 . 1 1 11 11 GLN HB2 H 1 2.044 0.003 . 2 . . . . 11 GLN HB2 . 17527 1 72 . 1 1 11 11 GLN HB3 H 1 1.595 0.001 . 2 . . . . 11 GLN HB3 . 17527 1 73 . 1 1 11 11 GLN HG2 H 1 2.288 0.002 . 1 . . . . 11 GLN HG2 . 17527 1 74 . 1 1 11 11 GLN HG3 H 1 2.288 0.002 . 1 . . . . 11 GLN HG3 . 17527 1 75 . 1 1 11 11 GLN HE21 H 1 6.709 0.001 . 2 . . . . 11 GLN HE21 . 17527 1 76 . 1 1 11 11 GLN HE22 H 1 7.026 0.002 . 2 . . . . 11 GLN HE22 . 17527 1 77 . 1 1 12 12 ASN H H 1 8.781 0.002 . 1 . . . . 12 ASN H . 17527 1 78 . 1 1 12 12 ASN HA H 1 3.924 0.001 . 1 . . . . 12 ASN HA . 17527 1 79 . 1 1 12 12 ASN HB2 H 1 2.039 0.004 . 2 . . . . 12 ASN HB2 . 17527 1 80 . 1 1 12 12 ASN HB3 H 1 1.332 0.005 . 2 . . . . 12 ASN HB3 . 17527 1 81 . 1 1 12 12 ASN HD21 H 1 7.262 0.002 . 2 . . . . 12 ASN HD21 . 17527 1 82 . 1 1 12 12 ASN HD22 H 1 8.241 0.002 . 2 . . . . 12 ASN HD22 . 17527 1 83 . 1 1 13 13 ASP H H 1 8.566 0.005 . 1 . . . . 13 ASP H . 17527 1 84 . 1 1 13 13 ASP HA H 1 4.021 0.001 . 1 . . . . 13 ASP HA . 17527 1 85 . 1 1 13 13 ASP HB2 H 1 2.908 0.004 . 2 . . . . 13 ASP HB2 . 17527 1 86 . 1 1 13 13 ASP HB3 H 1 2.743 0.003 . 2 . . . . 13 ASP HB3 . 17527 1 87 . 1 1 14 14 ALA H H 1 6.683 0.002 . 1 . . . . 14 ALA H . 17527 1 88 . 1 1 14 14 ALA HA H 1 4.237 0.002 . 1 . . . . 14 ALA HA . 17527 1 89 . 1 1 14 14 ALA HB1 H 1 1.315 0.002 . 1 . . . . 14 ALA HB . 17527 1 90 . 1 1 14 14 ALA HB2 H 1 1.315 0.002 . 1 . . . . 14 ALA HB . 17527 1 91 . 1 1 14 14 ALA HB3 H 1 1.315 0.002 . 1 . . . . 14 ALA HB . 17527 1 92 . 1 1 15 15 THR H H 1 8.414 0.002 . 1 . . . . 15 THR H . 17527 1 93 . 1 1 15 15 THR HA H 1 4.381 0.001 . 1 . . . . 15 THR HA . 17527 1 94 . 1 1 15 15 THR HB H 1 3.854 0.002 . 1 . . . . 15 THR HB . 17527 1 95 . 1 1 15 15 THR HG21 H 1 1.04 0.003 . 1 . . . . 15 THR HG2 . 17527 1 96 . 1 1 15 15 THR HG22 H 1 1.04 0.003 . 1 . . . . 15 THR HG2 . 17527 1 97 . 1 1 15 15 THR HG23 H 1 1.04 0.003 . 1 . . . . 15 THR HG2 . 17527 1 98 . 1 1 16 16 CYS H H 1 8.984 0.001 . 1 . . . . 16 CYS H . 17527 1 99 . 1 1 16 16 CYS HA H 1 5.205 0.005 . 1 . . . . 16 CYS HA . 17527 1 100 . 1 1 16 16 CYS HB2 H 1 3.047 0.004 . 2 . . . . 16 CYS HB2 . 17527 1 101 . 1 1 16 16 CYS HB3 H 1 2.854 0.001 . 2 . . . . 16 CYS HB3 . 17527 1 102 . 1 1 17 17 LEU H H 1 9.337 0.002 . 1 . . . . 17 LEU H . 17527 1 103 . 1 1 17 17 LEU HA H 1 4.672 0 . 1 . . . . 17 LEU HA . 17527 1 104 . 1 1 17 17 LEU HB2 H 1 1.522 0.002 . 1 . . . . 17 LEU HB2 . 17527 1 105 . 1 1 17 17 LEU HB3 H 1 1.522 0.002 . 1 . . . . 17 LEU HB3 . 17527 1 106 . 1 1 17 17 LEU HG H 1 1.431 0.001 . 1 . . . . 17 LEU HG . 17527 1 107 . 1 1 17 17 LEU HD11 H 1 0.796 0 . 2 . . . . 17 LEU HD1 . 17527 1 108 . 1 1 17 17 LEU HD12 H 1 0.796 0 . 2 . . . . 17 LEU HD1 . 17527 1 109 . 1 1 17 17 LEU HD13 H 1 0.796 0 . 2 . . . . 17 LEU HD1 . 17527 1 110 . 1 1 17 17 LEU HD21 H 1 0.766 0.001 . 2 . . . . 17 LEU HD2 . 17527 1 111 . 1 1 17 17 LEU HD22 H 1 0.766 0.001 . 2 . . . . 17 LEU HD2 . 17527 1 112 . 1 1 17 17 LEU HD23 H 1 0.766 0.001 . 2 . . . . 17 LEU HD2 . 17527 1 113 . 1 1 18 18 ASP H H 1 8.521 0.005 . 1 . . . . 18 ASP H . 17527 1 114 . 1 1 18 18 ASP HA H 1 4.775 0.001 . 1 . . . . 18 ASP HA . 17527 1 115 . 1 1 18 18 ASP HB2 H 1 2.672 0.003 . 2 . . . . 18 ASP HB2 . 17527 1 116 . 1 1 18 18 ASP HB3 H 1 2.538 0.004 . 2 . . . . 18 ASP HB3 . 17527 1 117 . 1 1 19 19 GLN H H 1 8.278 0.002 . 1 . . . . 19 GLN H . 17527 1 118 . 1 1 19 19 GLN HA H 1 4.508 0.001 . 1 . . . . 19 GLN HA . 17527 1 119 . 1 1 19 19 GLN HB2 H 1 1.761 0.001 . 1 . . . . 19 GLN HB2 . 17527 1 120 . 1 1 19 19 GLN HB3 H 1 1.761 0.001 . 1 . . . . 19 GLN HB3 . 17527 1 121 . 1 1 19 19 GLN HG2 H 1 2.177 0.003 . 2 . . . . 19 GLN HG2 . 17527 1 122 . 1 1 19 19 GLN HG3 H 1 2.041 0 . 2 . . . . 19 GLN HG3 . 17527 1 123 . 1 1 19 19 GLN HE21 H 1 6.684 0.001 . 2 . . . . 19 GLN HE21 . 17527 1 124 . 1 1 19 19 GLN HE22 H 1 7.229 0.002 . 2 . . . . 19 GLN HE22 . 17527 1 125 . 1 1 20 20 ILE H H 1 8.459 0.003 . 1 . . . . 20 ILE H . 17527 1 126 . 1 1 20 20 ILE HA H 1 3.827 0.003 . 1 . . . . 20 ILE HA . 17527 1 127 . 1 1 20 20 ILE HB H 1 2.048 0.004 . 1 . . . . 20 ILE HB . 17527 1 128 . 1 1 20 20 ILE HG12 H 1 1.39 0.004 . 2 . . . . 20 ILE HG12 . 17527 1 129 . 1 1 20 20 ILE HG13 H 1 1.018 0.005 . 2 . . . . 20 ILE HG13 . 17527 1 130 . 1 1 20 20 ILE HG21 H 1 0.83 0.004 . 1 . . . . 20 ILE HG2 . 17527 1 131 . 1 1 20 20 ILE HG22 H 1 0.83 0.004 . 1 . . . . 20 ILE HG2 . 17527 1 132 . 1 1 20 20 ILE HG23 H 1 0.83 0.004 . 1 . . . . 20 ILE HG2 . 17527 1 133 . 1 1 20 20 ILE HD11 H 1 0.768 0.003 . 1 . . . . 20 ILE HD1 . 17527 1 134 . 1 1 20 20 ILE HD12 H 1 0.768 0.003 . 1 . . . . 20 ILE HD1 . 17527 1 135 . 1 1 20 20 ILE HD13 H 1 0.768 0.003 . 1 . . . . 20 ILE HD1 . 17527 1 136 . 1 1 21 21 GLY H H 1 8.543 0.002 . 1 . . . . 21 GLY H . 17527 1 137 . 1 1 21 21 GLY HA2 H 1 4.071 0.001 . 2 . . . . 21 GLY HA2 . 17527 1 138 . 1 1 21 21 GLY HA3 H 1 3.671 0.001 . 2 . . . . 21 GLY HA3 . 17527 1 139 . 1 1 22 22 GLU H H 1 7.548 0.002 . 1 . . . . 22 GLU H . 17527 1 140 . 1 1 22 22 GLU HA H 1 4.53 0.005 . 1 . . . . 22 GLU HA . 17527 1 141 . 1 1 22 22 GLU HB2 H 1 2.124 0.003 . 2 . . . . 22 GLU HB2 . 17527 1 142 . 1 1 22 22 GLU HB3 H 1 1.979 0.003 . 2 . . . . 22 GLU HB3 . 17527 1 143 . 1 1 22 22 GLU HG2 H 1 1.776 0.003 . 1 . . . . 22 GLU HG2 . 17527 1 144 . 1 1 22 22 GLU HG3 H 1 1.776 0.003 . 1 . . . . 22 GLU HG3 . 17527 1 145 . 1 1 23 23 PHE H H 1 7.875 0.003 . 1 . . . . 23 PHE H . 17527 1 146 . 1 1 23 23 PHE HA H 1 5.233 0.006 . 1 . . . . 23 PHE HA . 17527 1 147 . 1 1 23 23 PHE HB2 H 1 3.035 0.004 . 2 . . . . 23 PHE HB2 . 17527 1 148 . 1 1 23 23 PHE HB3 H 1 2.879 0.006 . 2 . . . . 23 PHE HB3 . 17527 1 149 . 1 1 23 23 PHE HD1 H 1 7.174 0.002 . 1 . . . . 23 PHE HD1 . 17527 1 150 . 1 1 23 23 PHE HD2 H 1 7.174 0.002 . 1 . . . . 23 PHE HD2 . 17527 1 151 . 1 1 23 23 PHE HE1 H 1 7.023 0.002 . 1 . . . . 23 PHE HE1 . 17527 1 152 . 1 1 23 23 PHE HE2 H 1 7.023 0.002 . 1 . . . . 23 PHE HE2 . 17527 1 153 . 1 1 23 23 PHE HZ H 1 7.115 0.005 . 1 . . . . 23 PHE HZ . 17527 1 154 . 1 1 24 24 GLN H H 1 8.715 0.002 . 1 . . . . 24 GLN H . 17527 1 155 . 1 1 24 24 GLN HA H 1 4.308 0.001 . 1 . . . . 24 GLN HA . 17527 1 156 . 1 1 24 24 GLN HB2 H 1 1.892 0.002 . 2 . . . . 24 GLN HB2 . 17527 1 157 . 1 1 24 24 GLN HB3 H 1 1.812 0.003 . 2 . . . . 24 GLN HB3 . 17527 1 158 . 1 1 24 24 GLN HG2 H 1 2.109 0.005 . 1 . . . . 24 GLN HG2 . 17527 1 159 . 1 1 24 24 GLN HG3 H 1 2.109 0.005 . 1 . . . . 24 GLN HG3 . 17527 1 160 . 1 1 24 24 GLN HE21 H 1 6.575 0 . 2 . . . . 24 GLN HE21 . 17527 1 161 . 1 1 24 24 GLN HE22 H 1 7.288 0.004 . 2 . . . . 24 GLN HE22 . 17527 1 162 . 1 1 25 25 CYS H H 1 8.982 0.002 . 1 . . . . 25 CYS H . 17527 1 163 . 1 1 25 25 CYS HA H 1 5.388 0.003 . 1 . . . . 25 CYS HA . 17527 1 164 . 1 1 25 25 CYS HB2 H 1 3.006 0.002 . 2 . . . . 25 CYS HB2 . 17527 1 165 . 1 1 25 25 CYS HB3 H 1 2.59 0.004 . 2 . . . . 25 CYS HB3 . 17527 1 166 . 1 1 26 26 ILE H H 1 9.532 0.003 . 1 . . . . 26 ILE H . 17527 1 167 . 1 1 26 26 ILE HA H 1 4.196 0.003 . 1 . . . . 26 ILE HA . 17527 1 168 . 1 1 26 26 ILE HB H 1 1.892 0.002 . 1 . . . . 26 ILE HB . 17527 1 169 . 1 1 26 26 ILE HG12 H 1 1.339 0.002 . 2 . . . . 26 ILE HG12 . 17527 1 170 . 1 1 26 26 ILE HG13 H 1 1.184 0.003 . 2 . . . . 26 ILE HG13 . 17527 1 171 . 1 1 26 26 ILE HG21 H 1 0.86 0.002 . 1 . . . . 26 ILE HG2 . 17527 1 172 . 1 1 26 26 ILE HG22 H 1 0.86 0.002 . 1 . . . . 26 ILE HG2 . 17527 1 173 . 1 1 26 26 ILE HG23 H 1 0.86 0.002 . 1 . . . . 26 ILE HG2 . 17527 1 174 . 1 1 26 26 ILE HD11 H 1 0.669 0.003 . 1 . . . . 26 ILE HD1 . 17527 1 175 . 1 1 26 26 ILE HD12 H 1 0.669 0.003 . 1 . . . . 26 ILE HD1 . 17527 1 176 . 1 1 26 26 ILE HD13 H 1 0.669 0.003 . 1 . . . . 26 ILE HD1 . 17527 1 177 . 1 1 27 27 CYS H H 1 8.377 0.002 . 1 . . . . 27 CYS H . 17527 1 178 . 1 1 27 27 CYS HA H 1 4.659 0.003 . 1 . . . . 27 CYS HA . 17527 1 179 . 1 1 27 27 CYS HB2 H 1 3.346 0.004 . 2 . . . . 27 CYS HB2 . 17527 1 180 . 1 1 27 27 CYS HB3 H 1 2.521 0.001 . 2 . . . . 27 CYS HB3 . 17527 1 181 . 1 1 28 28 MET H H 1 8.548 0.002 . 1 . . . . 28 MET H . 17527 1 182 . 1 1 28 28 MET HA H 1 4.532 0.001 . 1 . . . . 28 MET HA . 17527 1 183 . 1 1 28 28 MET HB2 H 1 1.939 0.002 . 2 . . . . 28 MET HB2 . 17527 1 184 . 1 1 28 28 MET HB3 H 1 2.222 0.005 . 2 . . . . 28 MET HB3 . 17527 1 185 . 1 1 28 28 MET HG2 H 1 2.662 0.002 . 2 . . . . 28 MET HG2 . 17527 1 186 . 1 1 28 28 MET HG3 H 1 2.387 0.002 . 2 . . . . 28 MET HG3 . 17527 1 187 . 1 1 28 28 MET HE1 H 1 2.126 0.003 . 1 . . . . 28 MET HE . 17527 1 188 . 1 1 28 28 MET HE2 H 1 2.126 0.003 . 1 . . . . 28 MET HE . 17527 1 189 . 1 1 28 28 MET HE3 H 1 2.126 0.003 . 1 . . . . 28 MET HE . 17527 1 190 . 1 1 29 29 PRO HA H 1 4.271 0.003 . 1 . . . . 29 PRO HA . 17527 1 191 . 1 1 29 29 PRO HB2 H 1 2.239 0.006 . 2 . . . . 29 PRO HB2 . 17527 1 192 . 1 1 29 29 PRO HB3 H 1 2.103 0.004 . 2 . . . . 29 PRO HB3 . 17527 1 193 . 1 1 29 29 PRO HG2 H 1 1.977 0.003 . 2 . . . . 29 PRO HG2 . 17527 1 194 . 1 1 29 29 PRO HG3 H 1 1.784 0.002 . 2 . . . . 29 PRO HG3 . 17527 1 195 . 1 1 29 29 PRO HD2 H 1 3.903 0.001 . 2 . . . . 29 PRO HD2 . 17527 1 196 . 1 1 29 29 PRO HD3 H 1 3.613 0.003 . 2 . . . . 29 PRO HD3 . 17527 1 197 . 1 1 30 30 GLY H H 1 8.533 0.003 . 1 . . . . 30 GLY H . 17527 1 198 . 1 1 30 30 GLY HA2 H 1 3.984 0.006 . 2 . . . . 30 GLY HA2 . 17527 1 199 . 1 1 30 30 GLY HA3 H 1 3.379 0.004 . 2 . . . . 30 GLY HA3 . 17527 1 200 . 1 1 31 31 TYR H H 1 7.615 0.003 . 1 . . . . 31 TYR H . 17527 1 201 . 1 1 31 31 TYR HA H 1 5.089 0.002 . 1 . . . . 31 TYR HA . 17527 1 202 . 1 1 31 31 TYR HB2 H 1 2.868 0.001 . 2 . . . . 31 TYR HB2 . 17527 1 203 . 1 1 31 31 TYR HB3 H 1 2.789 0.003 . 2 . . . . 31 TYR HB3 . 17527 1 204 . 1 1 31 31 TYR HD1 H 1 6.853 0.003 . 1 . . . . 31 TYR HD1 . 17527 1 205 . 1 1 31 31 TYR HD2 H 1 6.853 0.003 . 1 . . . . 31 TYR HD2 . 17527 1 206 . 1 1 31 31 TYR HE1 H 1 6.626 0.002 . 1 . . . . 31 TYR HE1 . 17527 1 207 . 1 1 31 31 TYR HE2 H 1 6.626 0.002 . 1 . . . . 31 TYR HE2 . 17527 1 208 . 1 1 32 32 GLU H H 1 9.048 0.001 . 1 . . . . 32 GLU H . 17527 1 209 . 1 1 32 32 GLU HA H 1 4.824 0.002 . 1 . . . . 32 GLU HA . 17527 1 210 . 1 1 32 32 GLU HB2 H 1 2.102 0.003 . 2 . . . . 32 GLU HB2 . 17527 1 211 . 1 1 32 32 GLU HB3 H 1 2.064 0.003 . 2 . . . . 32 GLU HB3 . 17527 1 212 . 1 1 32 32 GLU HG2 H 1 1.895 0.002 . 1 . . . . 32 GLU HG2 . 17527 1 213 . 1 1 32 32 GLU HG3 H 1 1.895 0.002 . 1 . . . . 32 GLU HG3 . 17527 1 214 . 1 1 33 33 GLY H H 1 8.119 0.002 . 1 . . . . 33 GLY H . 17527 1 215 . 1 1 33 33 GLY HA2 H 1 4.863 0.005 . 2 . . . . 33 GLY HA2 . 17527 1 216 . 1 1 33 33 GLY HA3 H 1 3.757 0.001 . 2 . . . . 33 GLY HA3 . 17527 1 217 . 1 1 34 34 VAL H H 1 9.397 0.002 . 1 . . . . 34 VAL H . 17527 1 218 . 1 1 34 34 VAL HA H 1 3.443 0.001 . 1 . . . . 34 VAL HA . 17527 1 219 . 1 1 34 34 VAL HB H 1 1.543 0.002 . 1 . . . . 34 VAL HB . 17527 1 220 . 1 1 34 34 VAL HG11 H 1 0.257 0.001 . 2 . . . . 34 VAL HG1 . 17527 1 221 . 1 1 34 34 VAL HG12 H 1 0.257 0.001 . 2 . . . . 34 VAL HG1 . 17527 1 222 . 1 1 34 34 VAL HG13 H 1 0.257 0.001 . 2 . . . . 34 VAL HG1 . 17527 1 223 . 1 1 34 34 VAL HG21 H 1 0.807 0.002 . 2 . . . . 34 VAL HG2 . 17527 1 224 . 1 1 34 34 VAL HG22 H 1 0.807 0.002 . 2 . . . . 34 VAL HG2 . 17527 1 225 . 1 1 34 34 VAL HG23 H 1 0.807 0.002 . 2 . . . . 34 VAL HG2 . 17527 1 226 . 1 1 35 35 TYR H H 1 8.499 0.002 . 1 . . . . 35 TYR H . 17527 1 227 . 1 1 35 35 TYR HA H 1 5.233 0.003 . 1 . . . . 35 TYR HA . 17527 1 228 . 1 1 35 35 TYR HB2 H 1 3.65 0.003 . 2 . . . . 35 TYR HB2 . 17527 1 229 . 1 1 35 35 TYR HB3 H 1 2.666 0.004 . 2 . . . . 35 TYR HB3 . 17527 1 230 . 1 1 35 35 TYR HD1 H 1 6.918 0.001 . 1 . . . . 35 TYR HD1 . 17527 1 231 . 1 1 35 35 TYR HD2 H 1 6.918 0.001 . 1 . . . . 35 TYR HD2 . 17527 1 232 . 1 1 35 35 TYR HE1 H 1 6.695 0.002 . 1 . . . . 35 TYR HE1 . 17527 1 233 . 1 1 35 35 TYR HE2 H 1 6.695 0.002 . 1 . . . . 35 TYR HE2 . 17527 1 234 . 1 1 36 36 CYS H H 1 7.884 0.003 . 1 . . . . 36 CYS H . 17527 1 235 . 1 1 36 36 CYS HA H 1 3.876 0.002 . 1 . . . . 36 CYS HA . 17527 1 236 . 1 1 36 36 CYS HB2 H 1 3.222 0.004 . 2 . . . . 36 CYS HB2 . 17527 1 237 . 1 1 36 36 CYS HB3 H 1 2.884 0.003 . 2 . . . . 36 CYS HB3 . 17527 1 238 . 1 1 37 37 GLU HA H 1 3.979 0.002 . 1 . . . . 37 GLU HA . 17527 1 239 . 1 1 37 37 GLU HB2 H 1 2.114 0.005 . 2 . . . . 37 GLU HB2 . 17527 1 240 . 1 1 37 37 GLU HB3 H 1 1.797 0.006 . 2 . . . . 37 GLU HB3 . 17527 1 241 . 1 1 37 37 GLU HG2 H 1 2.536 0.003 . 2 . . . . 37 GLU HG2 . 17527 1 242 . 1 1 37 37 GLU HG3 H 1 2.213 0.002 . 2 . . . . 37 GLU HG3 . 17527 1 243 . 1 1 38 38 ILE H H 1 8.837 0.002 . 1 . . . . 38 ILE H . 17527 1 244 . 1 1 38 38 ILE HA H 1 4.157 0.001 . 1 . . . . 38 ILE HA . 17527 1 245 . 1 1 38 38 ILE HB H 1 1.59 0.005 . 1 . . . . 38 ILE HB . 17527 1 246 . 1 1 38 38 ILE HG12 H 1 1.452 0.003 . 1 . . . . 38 ILE HG12 . 17527 1 247 . 1 1 38 38 ILE HG13 H 1 1.452 0.003 . 1 . . . . 38 ILE HG13 . 17527 1 248 . 1 1 38 38 ILE HG21 H 1 0.968 0.003 . 1 . . . . 38 ILE HG2 . 17527 1 249 . 1 1 38 38 ILE HG22 H 1 0.968 0.003 . 1 . . . . 38 ILE HG2 . 17527 1 250 . 1 1 38 38 ILE HG23 H 1 0.968 0.003 . 1 . . . . 38 ILE HG2 . 17527 1 251 . 1 1 38 38 ILE HD11 H 1 0.802 0.006 . 1 . . . . 38 ILE HD1 . 17527 1 252 . 1 1 38 38 ILE HD12 H 1 0.802 0.006 . 1 . . . . 38 ILE HD1 . 17527 1 253 . 1 1 38 38 ILE HD13 H 1 0.802 0.006 . 1 . . . . 38 ILE HD1 . 17527 1 stop_ save_