################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6924 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6924 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 $software_1 . . 6924 1 2 $software_2 . . 6924 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 PCA HA H 1 3.96 0.025 . 1 . . . . 1 PCA HA . 6924 1 2 . 1 1 1 1 PCA HB2 H 1 1.92 0.025 . 2 . . . . 1 PCA HB2 . 6924 1 3 . 1 1 1 1 PCA HB3 H 1 1.72 0.025 . 2 . . . . 1 PCA HB3 . 6924 1 4 . 1 1 1 1 PCA HG2 H 1 2.36 0.025 . 1 . . . . 1 PCA HG2 . 6924 1 5 . 1 1 1 1 PCA HG3 H 1 2.36 0.025 . 1 . . . . 1 PCA HG3 . 6924 1 6 . 1 1 2 2 ILE H H 1 8.49 0.025 . 1 . . . . 2 ILE H . 6924 1 7 . 1 1 2 2 ILE HA H 1 3.985 0.025 . 1 . . . . 2 ILE HA . 6924 1 8 . 1 1 2 2 ILE HB H 1 1.038 0.025 . 1 . . . . 2 ILE HB . 6924 1 9 . 1 1 2 2 ILE HG12 H 1 1.079 0.025 . 2 . . . . 2 ILE HG12 . 6924 1 10 . 1 1 2 2 ILE HG13 H 1 0.779 0.025 . 2 . . . . 2 ILE HG13 . 6924 1 11 . 1 1 2 2 ILE HG21 H 1 0.32 0.025 . 1 . . . . 2 ILE HG2 . 6924 1 12 . 1 1 2 2 ILE HG22 H 1 0.32 0.025 . 1 . . . . 2 ILE HG2 . 6924 1 13 . 1 1 2 2 ILE HG23 H 1 0.32 0.025 . 1 . . . . 2 ILE HG2 . 6924 1 14 . 1 1 2 2 ILE HD11 H 1 0.36 0.025 . 1 . . . . 2 ILE HD1 . 6924 1 15 . 1 1 2 2 ILE HD12 H 1 0.36 0.025 . 1 . . . . 2 ILE HD1 . 6924 1 16 . 1 1 2 2 ILE HD13 H 1 0.36 0.025 . 1 . . . . 2 ILE HD1 . 6924 1 17 . 1 1 3 3 ASP H H 1 8.799 0.025 . 1 . . . . 3 ASP H . 6924 1 18 . 1 1 3 3 ASP HA H 1 4.78 0.025 . 1 . . . . 3 ASP HA . 6924 1 19 . 1 1 3 3 ASP HB2 H 1 2.961 0.025 . 2 . . . . 3 ASP HB2 . 6924 1 20 . 1 1 3 3 ASP HB3 H 1 2.785 0.025 . 2 . . . . 3 ASP HB3 . 6924 1 21 . 1 1 4 4 THR H H 1 7.94 0.025 . 1 . . . . 4 THR H . 6924 1 22 . 1 1 4 4 THR HA H 1 4.66 0.025 . 1 . . . . 4 THR HA . 6924 1 23 . 1 1 4 4 THR HB H 1 4.34 0.025 . 1 . . . . 4 THR HB . 6924 1 24 . 1 1 4 4 THR HG21 H 1 1.15 0.025 . 1 . . . . 4 THR HG2 . 6924 1 25 . 1 1 4 4 THR HG22 H 1 1.15 0.025 . 1 . . . . 4 THR HG2 . 6924 1 26 . 1 1 4 4 THR HG23 H 1 1.15 0.025 . 1 . . . . 4 THR HG2 . 6924 1 27 . 1 1 5 5 ASN H H 1 8.51 0.025 . 1 . . . . 5 ASN H . 6924 1 28 . 1 1 5 5 ASN HA H 1 4.71 0.025 . 1 . . . . 5 ASN HA . 6924 1 29 . 1 1 5 5 ASN HB2 H 1 2.91 0.025 . 2 . . . . 5 ASN HB2 . 6924 1 30 . 1 1 6 6 VAL H H 1 8.114 0.025 . 1 . . . . 6 VAL H . 6924 1 31 . 1 1 6 6 VAL HA H 1 3.858 0.025 . 1 . . . . 6 VAL HA . 6924 1 32 . 1 1 6 6 VAL HB H 1 1.76 0.025 . 1 . . . . 6 VAL HB . 6924 1 33 . 1 1 6 6 VAL HG11 H 1 0.97 0.025 . 2 . . . . 6 VAL HG1 . 6924 1 34 . 1 1 6 6 VAL HG12 H 1 0.97 0.025 . 2 . . . . 6 VAL HG1 . 6924 1 35 . 1 1 6 6 VAL HG13 H 1 0.97 0.025 . 2 . . . . 6 VAL HG1 . 6924 1 36 . 1 1 6 6 VAL HG21 H 1 0.93 0.025 . 2 . . . . 6 VAL HG2 . 6924 1 37 . 1 1 6 6 VAL HG22 H 1 0.93 0.025 . 2 . . . . 6 VAL HG2 . 6924 1 38 . 1 1 6 6 VAL HG23 H 1 0.93 0.025 . 2 . . . . 6 VAL HG2 . 6924 1 39 . 1 1 7 7 LYS H H 1 8.45 0.025 . 1 . . . . 7 LYS H . 6924 1 40 . 1 1 7 7 LYS HA H 1 4.75 0.025 . 1 . . . . 7 LYS HA . 6924 1 41 . 1 1 7 7 LYS HB2 H 1 1.798 0.025 . 2 . . . . 7 LYS HB2 . 6924 1 42 . 1 1 7 7 LYS HB3 H 1 1.69 0.025 . 2 . . . . 7 LYS HB3 . 6924 1 43 . 1 1 7 7 LYS HG2 H 1 1.583 0.025 . 2 . . . . 7 LYS HG2 . 6924 1 44 . 1 1 7 7 LYS HG3 H 1 1.393 0.025 . 2 . . . . 7 LYS HG3 . 6924 1 45 . 1 1 7 7 LYS HD2 H 1 1.67 0.025 . 1 . . . . 7 LYS HD2 . 6924 1 46 . 1 1 7 7 LYS HD3 H 1 1.67 0.025 . 1 . . . . 7 LYS HD3 . 6924 1 47 . 1 1 7 7 LYS HE2 H 1 2.94 0.025 . 1 . . . . 7 LYS HE2 . 6924 1 48 . 1 1 7 7 LYS HE3 H 1 2.94 0.025 . 1 . . . . 7 LYS HE3 . 6924 1 49 . 1 1 8 8 CYS H H 1 8.193 0.025 . 1 . . . . 8 CYS H . 6924 1 50 . 1 1 8 8 CYS HA H 1 4.86 0.025 . 1 . . . . 8 CYS HA . 6924 1 51 . 1 1 8 8 CYS HB2 H 1 3.432 0.025 . 2 . . . . 8 CYS HB2 . 6924 1 52 . 1 1 8 8 CYS HB3 H 1 2.93 0.025 . 2 . . . . 8 CYS HB3 . 6924 1 53 . 1 1 9 9 SER H H 1 8.854 0.025 . 1 . . . . 9 SER H . 6924 1 54 . 1 1 9 9 SER HA H 1 4.587 0.025 . 1 . . . . 9 SER HA . 6924 1 55 . 1 1 9 9 SER HB2 H 1 3.921 0.025 . 1 . . . . 9 SER HB2 . 6924 1 56 . 1 1 9 9 SER HB3 H 1 3.822 0.025 . 1 . . . . 9 SER HB3 . 6924 1 57 . 1 1 10 10 GLY H H 1 7.663 0.025 . 1 . . . . 10 GLY H . 6924 1 58 . 1 1 10 10 GLY HA2 H 1 4.25 0.025 . 2 . . . . 10 GLY HA2 . 6924 1 59 . 1 1 10 10 GLY HA3 H 1 4.19 0.025 . 2 . . . . 10 GLY HA3 . 6924 1 60 . 1 1 11 11 SER H H 1 8.801 0.025 . 1 . . . . 11 SER H . 6924 1 61 . 1 1 11 11 SER HA H 1 4.037 0.025 . 1 . . . . 11 SER HA . 6924 1 62 . 1 1 11 11 SER HB2 H 1 3.96 0.025 . 1 . . . . 11 SER HB2 . 6924 1 63 . 1 1 11 11 SER HB3 H 1 3.95 0.025 . 1 . . . . 11 SER HB3 . 6924 1 64 . 1 1 12 12 SER H H 1 8.64 0.025 . 1 . . . . 12 SER H . 6924 1 65 . 1 1 12 12 SER HA H 1 4.157 0.025 . 1 . . . . 12 SER HA . 6924 1 66 . 1 1 12 12 SER HB2 H 1 3.94 0.025 . 1 . . . . 12 SER HB2 . 6924 1 67 . 1 1 12 12 SER HB3 H 1 3.94 0.025 . 1 . . . . 12 SER HB3 . 6924 1 68 . 1 1 13 13 LYS H H 1 7.942 0.025 . 1 . . . . 13 LYS H . 6924 1 69 . 1 1 13 13 LYS HA H 1 4.136 0.025 . 1 . . . . 13 LYS HA . 6924 1 70 . 1 1 13 13 LYS HB2 H 1 2.026 0.025 . 2 . . . . 13 LYS HB2 . 6924 1 71 . 1 1 13 13 LYS HB3 H 1 1.78 0.025 . 2 . . . . 13 LYS HB3 . 6924 1 72 . 1 1 13 13 LYS HG2 H 1 1.47 0.025 . 2 . . . . 13 LYS HG2 . 6924 1 73 . 1 1 13 13 LYS HG3 H 1 1.37 0.025 . 2 . . . . 13 LYS HG3 . 6924 1 74 . 1 1 13 13 LYS HD2 H 1 1.71 0.025 . 1 . . . . 13 LYS HD2 . 6924 1 75 . 1 1 13 13 LYS HD3 H 1 1.71 0.025 . 1 . . . . 13 LYS HD3 . 6924 1 76 . 1 1 13 13 LYS HE2 H 1 2.981 0.025 . 1 . . . . 13 LYS HE2 . 6924 1 77 . 1 1 13 13 LYS HE3 H 1 2.839 0.025 . 1 . . . . 13 LYS HE3 . 6924 1 78 . 1 1 13 13 LYS HZ1 H 1 7.542 0.025 . 1 . . . . 13 LYS HZ . 6924 1 79 . 1 1 13 13 LYS HZ2 H 1 7.542 0.025 . 1 . . . . 13 LYS HZ . 6924 1 80 . 1 1 13 13 LYS HZ3 H 1 7.542 0.025 . 1 . . . . 13 LYS HZ . 6924 1 81 . 1 1 14 14 CYS H H 1 7.3 0.025 . 1 . . . . 14 CYS H . 6924 1 82 . 1 1 14 14 CYS HA H 1 4.551 0.025 . 1 . . . . 14 CYS HA . 6924 1 83 . 1 1 14 14 CYS HB2 H 1 2.97 0.025 . 2 . . . . 14 CYS HB2 . 6924 1 84 . 1 1 14 14 CYS HB3 H 1 2.78 0.025 . 2 . . . . 14 CYS HB3 . 6924 1 85 . 1 1 15 15 VAL H H 1 7.732 0.025 . 1 . . . . 15 VAL H . 6924 1 86 . 1 1 15 15 VAL HA H 1 3.295 0.025 . 1 . . . . 15 VAL HA . 6924 1 87 . 1 1 15 15 VAL HB H 1 2.13 0.025 . 1 . . . . 15 VAL HB . 6924 1 88 . 1 1 15 15 VAL HG11 H 1 1.105 0.025 . 1 . . . . 15 VAL HG1 . 6924 1 89 . 1 1 15 15 VAL HG12 H 1 1.105 0.025 . 1 . . . . 15 VAL HG1 . 6924 1 90 . 1 1 15 15 VAL HG13 H 1 1.105 0.025 . 1 . . . . 15 VAL HG1 . 6924 1 91 . 1 1 15 15 VAL HG21 H 1 0.98 0.025 . 1 . . . . 15 VAL HG2 . 6924 1 92 . 1 1 15 15 VAL HG22 H 1 0.98 0.025 . 1 . . . . 15 VAL HG2 . 6924 1 93 . 1 1 15 15 VAL HG23 H 1 0.98 0.025 . 1 . . . . 15 VAL HG2 . 6924 1 94 . 1 1 16 16 LYS H H 1 7.45 0.025 . 1 . . . . 16 LYS H . 6924 1 95 . 1 1 16 16 LYS HA H 1 3.947 0.025 . 1 . . . . 16 LYS HA . 6924 1 96 . 1 1 16 16 LYS HB2 H 1 1.88 0.025 . 1 . . . . 16 LYS HB2 . 6924 1 97 . 1 1 16 16 LYS HB3 H 1 1.88 0.025 . 1 . . . . 16 LYS HB3 . 6924 1 98 . 1 1 16 16 LYS HG2 H 1 1.5 0.025 . 2 . . . . 16 LYS HG2 . 6924 1 99 . 1 1 16 16 LYS HG3 H 1 1.397 0.025 . 2 . . . . 16 LYS HG3 . 6924 1 100 . 1 1 16 16 LYS HD2 H 1 1.68 0.025 . 1 . . . . 16 LYS HD2 . 6924 1 101 . 1 1 16 16 LYS HD3 H 1 1.68 0.025 . 1 . . . . 16 LYS HD3 . 6924 1 102 . 1 1 16 16 LYS HE2 H 1 2.99 0.025 . 1 . . . . 16 LYS HE2 . 6924 1 103 . 1 1 16 16 LYS HE3 H 1 2.99 0.025 . 1 . . . . 16 LYS HE3 . 6924 1 104 . 1 1 17 17 ILE H H 1 7.304 0.025 . 1 . . . . 17 ILE H . 6924 1 105 . 1 1 17 17 ILE HA H 1 3.939 0.025 . 1 . . . . 17 ILE HA . 6924 1 106 . 1 1 17 17 ILE HB H 1 2.128 0.025 . 1 . . . . 17 ILE HB . 6924 1 107 . 1 1 17 17 ILE HG12 H 1 1.602 0.025 . 2 . . . . 17 ILE HG12 . 6924 1 108 . 1 1 17 17 ILE HG13 H 1 1.55 0.025 . 2 . . . . 17 ILE HG13 . 6924 1 109 . 1 1 17 17 ILE HG21 H 1 0.95 0.025 . 1 . . . . 17 ILE HG2 . 6924 1 110 . 1 1 17 17 ILE HG22 H 1 0.95 0.025 . 1 . . . . 17 ILE HG2 . 6924 1 111 . 1 1 17 17 ILE HG23 H 1 0.95 0.025 . 1 . . . . 17 ILE HG2 . 6924 1 112 . 1 1 17 17 ILE HD11 H 1 0.89 0.025 . 1 . . . . 17 ILE HD1 . 6924 1 113 . 1 1 17 17 ILE HD12 H 1 0.89 0.025 . 1 . . . . 17 ILE HD1 . 6924 1 114 . 1 1 17 17 ILE HD13 H 1 0.89 0.025 . 1 . . . . 17 ILE HD1 . 6924 1 115 . 1 1 18 18 CYS H H 1 8.574 0.025 . 1 . . . . 18 CYS H . 6924 1 116 . 1 1 18 18 CYS HA H 1 4.683 0.025 . 1 . . . . 18 CYS HA . 6924 1 117 . 1 1 18 18 CYS HB2 H 1 3.207 0.025 . 2 . . . . 18 CYS HB2 . 6924 1 118 . 1 1 18 18 CYS HB3 H 1 2.91 0.025 . 2 . . . . 18 CYS HB3 . 6924 1 119 . 1 1 19 19 ILE H H 1 8.6 0.025 . 1 . . . . 19 ILE H . 6924 1 120 . 1 1 19 19 ILE HA H 1 3.62 0.025 . 1 . . . . 19 ILE HA . 6924 1 121 . 1 1 19 19 ILE HB H 1 1.81 0.025 . 1 . . . . 19 ILE HB . 6924 1 122 . 1 1 19 19 ILE HG12 H 1 0.79 0.025 . 2 . . . . 19 ILE HG12 . 6924 1 123 . 1 1 19 19 ILE HG13 H 1 0.8 0.025 . 2 . . . . 19 ILE HG13 . 6924 1 124 . 1 1 19 19 ILE HG21 H 1 0.86 0.025 . 1 . . . . 19 ILE HG2 . 6924 1 125 . 1 1 19 19 ILE HG22 H 1 0.86 0.025 . 1 . . . . 19 ILE HG2 . 6924 1 126 . 1 1 19 19 ILE HG23 H 1 0.86 0.025 . 1 . . . . 19 ILE HG2 . 6924 1 127 . 1 1 19 19 ILE HD11 H 1 0.76 0.025 . 1 . . . . 19 ILE HD1 . 6924 1 128 . 1 1 19 19 ILE HD12 H 1 0.76 0.025 . 1 . . . . 19 ILE HD1 . 6924 1 129 . 1 1 19 19 ILE HD13 H 1 0.76 0.025 . 1 . . . . 19 ILE HD1 . 6924 1 130 . 1 1 20 20 ASP H H 1 8.301 0.025 . 1 . . . . 20 ASP H . 6924 1 131 . 1 1 20 20 ASP HA H 1 4.402 0.025 . 1 . . . . 20 ASP HA . 6924 1 132 . 1 1 20 20 ASP HB2 H 1 3.02 0.025 . 2 . . . . 20 ASP HB2 . 6924 1 133 . 1 1 20 20 ASP HB3 H 1 2.901 0.025 . 2 . . . . 20 ASP HB3 . 6924 1 134 . 1 1 21 21 ARG H H 1 8.48 0.025 . 1 . . . . 21 ARG H . 6924 1 135 . 1 1 21 21 ARG HA H 1 4.16 0.025 . 1 . . . . 21 ARG HA . 6924 1 136 . 1 1 21 21 ARG HB2 H 1 1.489 0.025 . 2 . . . . 21 ARG HB2 . 6924 1 137 . 1 1 21 21 ARG HG2 H 1 1.31 0.025 . 1 . . . . 21 ARG HG2 . 6924 1 138 . 1 1 21 21 ARG HG3 H 1 1.016 0.025 . 1 . . . . 21 ARG HG3 . 6924 1 139 . 1 1 21 21 ARG HD2 H 1 3.04 0.025 . 2 . . . . 21 ARG HD2 . 6924 1 140 . 1 1 21 21 ARG HD3 H 1 2.877 0.025 . 2 . . . . 21 ARG HD3 . 6924 1 141 . 1 1 21 21 ARG HE H 1 7.2 0.025 . 1 . . . . 21 ARG HE . 6924 1 142 . 1 1 22 22 TYR H H 1 7.37 0.025 . 1 . . . . 22 TYR H . 6924 1 143 . 1 1 22 22 TYR HA H 1 4.843 0.025 . 1 . . . . 22 TYR HA . 6924 1 144 . 1 1 22 22 TYR HB2 H 1 3.37 0.025 . 2 . . . . 22 TYR HB2 . 6924 1 145 . 1 1 22 22 TYR HB3 H 1 2.75 0.025 . 2 . . . . 22 TYR HB3 . 6924 1 146 . 1 1 22 22 TYR HD1 H 1 7.2 0.025 . 1 . . . . 22 TYR HD1 . 6924 1 147 . 1 1 22 22 TYR HD2 H 1 7.2 0.025 . 1 . . . . 22 TYR HD2 . 6924 1 148 . 1 1 22 22 TYR HE1 H 1 6.59 0.025 . 1 . . . . 22 TYR HE1 . 6924 1 149 . 1 1 22 22 TYR HE2 H 1 6.59 0.025 . 1 . . . . 22 TYR HE2 . 6924 1 150 . 1 1 23 23 ASN H H 1 7.943 0.025 . 1 . . . . 23 ASN H . 6924 1 151 . 1 1 23 23 ASN HA H 1 4.71 0.025 . 1 . . . . 23 ASN HA . 6924 1 152 . 1 1 23 23 ASN HB2 H 1 3.222 0.025 . 2 . . . . 23 ASN HB2 . 6924 1 153 . 1 1 23 23 ASN HB3 H 1 2.64 0.025 . 2 . . . . 23 ASN HB3 . 6924 1 154 . 1 1 24 24 THR H H 1 7.6 0.025 . 1 . . . . 24 THR H . 6924 1 155 . 1 1 24 24 THR HA H 1 4.816 0.025 . 1 . . . . 24 THR HA . 6924 1 156 . 1 1 24 24 THR HB H 1 4.03 0.025 . 1 . . . . 24 THR HB . 6924 1 157 . 1 1 24 24 THR HG21 H 1 1.034 0.025 . 1 . . . . 24 THR HG2 . 6924 1 158 . 1 1 24 24 THR HG22 H 1 1.034 0.025 . 1 . . . . 24 THR HG2 . 6924 1 159 . 1 1 24 24 THR HG23 H 1 1.034 0.025 . 1 . . . . 24 THR HG2 . 6924 1 160 . 1 1 25 25 ARG H H 1 8.113 0.025 . 1 . . . . 25 ARG H . 6924 1 161 . 1 1 25 25 ARG HA H 1 4.321 0.025 . 1 . . . . 25 ARG HA . 6924 1 162 . 1 1 25 25 ARG HB2 H 1 1.88 0.025 . 2 . . . . 25 ARG HB2 . 6924 1 163 . 1 1 25 25 ARG HB3 H 1 1.684 0.025 . 2 . . . . 25 ARG HB3 . 6924 1 164 . 1 1 25 25 ARG HG2 H 1 1.6 0.025 . 1 . . . . 25 ARG HG2 . 6924 1 165 . 1 1 25 25 ARG HG3 H 1 1.55 0.025 . 1 . . . . 25 ARG HG3 . 6924 1 166 . 1 1 25 25 ARG HD2 H 1 3.17 0.025 . 1 . . . . 25 ARG HD2 . 6924 1 167 . 1 1 25 25 ARG HD3 H 1 3.17 0.025 . 1 . . . . 25 ARG HD3 . 6924 1 168 . 1 1 25 25 ARG HE H 1 7.204 0.025 . 1 . . . . 25 ARG HE . 6924 1 169 . 1 1 25 25 ARG HH11 H 1 7.19 0.025 . 1 . . . . 25 ARG HH1 . 6924 1 170 . 1 1 25 25 ARG HH12 H 1 7.19 0.025 . 1 . . . . 25 ARG HH1 . 6924 1 171 . 1 1 26 26 GLY H H 1 8.39 0.025 . 1 . . . . 26 GLY H . 6924 1 172 . 1 1 26 26 GLY HA2 H 1 4.099 0.025 . 2 . . . . 26 GLY HA2 . 6924 1 173 . 1 1 26 26 GLY HA3 H 1 3.5 0.025 . 2 . . . . 26 GLY HA3 . 6924 1 174 . 1 1 27 27 ALA H H 1 7.908 0.025 . 1 . . . . 27 ALA H . 6924 1 175 . 1 1 27 27 ALA HA H 1 5.515 0.025 . 1 . . . . 27 ALA HA . 6924 1 176 . 1 1 27 27 ALA HB1 H 1 1.158 0.025 . 1 . . . . 27 ALA HB . 6924 1 177 . 1 1 27 27 ALA HB2 H 1 1.158 0.025 . 1 . . . . 27 ALA HB . 6924 1 178 . 1 1 27 27 ALA HB3 H 1 1.158 0.025 . 1 . . . . 27 ALA HB . 6924 1 179 . 1 1 28 28 LYS H H 1 9.023 0.025 . 1 . . . . 28 LYS H . 6924 1 180 . 1 1 28 28 LYS HA H 1 4.565 0.025 . 1 . . . . 28 LYS HA . 6924 1 181 . 1 1 28 28 LYS HB2 H 1 1.778 0.025 . 1 . . . . 28 LYS HB2 . 6924 1 182 . 1 1 28 28 LYS HB3 H 1 1.778 0.025 . 1 . . . . 28 LYS HB3 . 6924 1 183 . 1 1 28 28 LYS HG2 H 1 1.369 0.025 . 1 . . . . 28 LYS HG2 . 6924 1 184 . 1 1 28 28 LYS HG3 H 1 1.369 0.025 . 1 . . . . 28 LYS HG3 . 6924 1 185 . 1 1 28 28 LYS HD2 H 1 1.654 0.025 . 2 . . . . 28 LYS HD2 . 6924 1 186 . 1 1 28 28 LYS HD3 H 1 1.583 0.025 . 2 . . . . 28 LYS HD3 . 6924 1 187 . 1 1 28 28 LYS HE2 H 1 2.74 0.025 . 1 . . . . 28 LYS HE2 . 6924 1 188 . 1 1 28 28 LYS HE3 H 1 2.74 0.025 . 1 . . . . 28 LYS HE3 . 6924 1 189 . 1 1 28 28 LYS HZ1 H 1 7.356 0.025 . 1 . . . . 28 LYS HZ . 6924 1 190 . 1 1 28 28 LYS HZ2 H 1 7.356 0.025 . 1 . . . . 28 LYS HZ . 6924 1 191 . 1 1 28 28 LYS HZ3 H 1 7.356 0.025 . 1 . . . . 28 LYS HZ . 6924 1 192 . 1 1 29 29 CYS H H 1 8.763 0.025 . 1 . . . . 29 CYS H . 6924 1 193 . 1 1 29 29 CYS HA H 1 4.91 0.025 . 1 . . . . 29 CYS HA . 6924 1 194 . 1 1 29 29 CYS HB2 H 1 2.843 0.025 . 2 . . . . 29 CYS HB2 . 6924 1 195 . 1 1 29 29 CYS HB3 H 1 2.618 0.025 . 2 . . . . 29 CYS HB3 . 6924 1 196 . 1 1 30 30 ILE H H 1 8.698 0.025 . 1 . . . . 30 ILE H . 6924 1 197 . 1 1 30 30 ILE HA H 1 4.343 0.025 . 1 . . . . 30 ILE HA . 6924 1 198 . 1 1 30 30 ILE HB H 1 1.835 0.025 . 1 . . . . 30 ILE HB . 6924 1 199 . 1 1 30 30 ILE HG12 H 1 1.43 0.025 . 2 . . . . 30 ILE HG12 . 6924 1 200 . 1 1 30 30 ILE HG13 H 1 1.053 0.025 . 2 . . . . 30 ILE HG13 . 6924 1 201 . 1 1 30 30 ILE HG21 H 1 0.862 0.025 . 1 . . . . 30 ILE HG2 . 6924 1 202 . 1 1 30 30 ILE HG22 H 1 0.862 0.025 . 1 . . . . 30 ILE HG2 . 6924 1 203 . 1 1 30 30 ILE HG23 H 1 0.862 0.025 . 1 . . . . 30 ILE HG2 . 6924 1 204 . 1 1 30 30 ILE HD11 H 1 0.83 0.025 . 1 . . . . 30 ILE HD1 . 6924 1 205 . 1 1 30 30 ILE HD12 H 1 0.83 0.025 . 1 . . . . 30 ILE HD1 . 6924 1 206 . 1 1 30 30 ILE HD13 H 1 0.83 0.025 . 1 . . . . 30 ILE HD1 . 6924 1 207 . 1 1 31 31 ASN H H 1 9.455 0.025 . 1 . . . . 31 ASN H . 6924 1 208 . 1 1 31 31 ASN HA H 1 4.34 0.025 . 1 . . . . 31 ASN HA . 6924 1 209 . 1 1 31 31 ASN HB2 H 1 3.06 0.025 . 2 . . . . 31 ASN HB2 . 6924 1 210 . 1 1 31 31 ASN HB3 H 1 2.765 0.025 . 2 . . . . 31 ASN HB3 . 6924 1 211 . 1 1 32 32 GLY H H 1 8.35 0.025 . 1 . . . . 32 GLY H . 6924 1 212 . 1 1 32 32 GLY HA2 H 1 4.08 0.025 . 2 . . . . 32 GLY HA2 . 6924 1 213 . 1 1 32 32 GLY HA3 H 1 3.957 0.025 . 2 . . . . 32 GLY HA3 . 6924 1 214 . 1 1 33 33 ARG H H 1 7.778 0.025 . 1 . . . . 33 ARG H . 6924 1 215 . 1 1 33 33 ARG HA H 1 5.42 0.025 . 1 . . . . 33 ARG HA . 6924 1 216 . 1 1 33 33 ARG HB2 H 1 1.709 0.025 . 1 . . . . 33 ARG HB2 . 6924 1 217 . 1 1 33 33 ARG HB3 H 1 1.709 0.025 . 1 . . . . 33 ARG HB3 . 6924 1 218 . 1 1 33 33 ARG HG2 H 1 1.469 0.025 . 1 . . . . 33 ARG HG2 . 6924 1 219 . 1 1 33 33 ARG HG3 H 1 1.469 0.025 . 1 . . . . 33 ARG HG3 . 6924 1 220 . 1 1 33 33 ARG HD2 H 1 3.185 0.025 . 1 . . . . 33 ARG HD2 . 6924 1 221 . 1 1 33 33 ARG HD3 H 1 3.06 0.025 . 1 . . . . 33 ARG HD3 . 6924 1 222 . 1 1 33 33 ARG HE H 1 7.126 0.025 . 1 . . . . 33 ARG HE . 6924 1 223 . 1 1 34 34 CYS H H 1 8.793 0.025 . 1 . . . . 34 CYS H . 6924 1 224 . 1 1 34 34 CYS HA H 1 5.07 0.025 . 1 . . . . 34 CYS HA . 6924 1 225 . 1 1 34 34 CYS HB2 H 1 2.918 0.025 . 2 . . . . 34 CYS HB2 . 6924 1 226 . 1 1 34 34 CYS HB3 H 1 2.609 0.025 . 2 . . . . 34 CYS HB3 . 6924 1 227 . 1 1 35 35 THR H H 1 9.496 0.025 . 1 . . . . 35 THR H . 6924 1 228 . 1 1 35 35 THR HA H 1 5.152 0.025 . 1 . . . . 35 THR HA . 6924 1 229 . 1 1 35 35 THR HG21 H 1 0.784 0.025 . 1 . . . . 35 THR HG2 . 6924 1 230 . 1 1 35 35 THR HG22 H 1 0.784 0.025 . 1 . . . . 35 THR HG2 . 6924 1 231 . 1 1 35 35 THR HG23 H 1 0.784 0.025 . 1 . . . . 35 THR HG2 . 6924 1 232 . 1 1 36 36 CYS H H 1 8.75 0.025 . 1 . . . . 36 CYS H . 6924 1 233 . 1 1 36 36 CYS HA H 1 5.629 0.025 . 1 . . . . 36 CYS HA . 6924 1 234 . 1 1 36 36 CYS HB2 H 1 2.968 0.025 . 2 . . . . 36 CYS HB2 . 6924 1 235 . 1 1 36 36 CYS HB3 H 1 2.026 0.025 . 2 . . . . 36 CYS HB3 . 6924 1 236 . 1 1 37 37 TYR H H 1 8.53 0.025 . 1 . . . . 37 TYR H . 6924 1 237 . 1 1 37 37 TYR HA H 1 4.848 0.025 . 1 . . . . 37 TYR HA . 6924 1 238 . 1 1 37 37 TYR HB2 H 1 2.93 0.025 . 2 . . . . 37 TYR HB2 . 6924 1 239 . 1 1 37 37 TYR HB3 H 1 2.532 0.025 . 2 . . . . 37 TYR HB3 . 6924 1 240 . 1 1 37 37 TYR HD1 H 1 6.886 0.025 . 1 . . . . 37 TYR HD1 . 6924 1 241 . 1 1 37 37 TYR HD2 H 1 6.886 0.025 . 1 . . . . 37 TYR HD2 . 6924 1 242 . 1 1 37 37 TYR HE1 H 1 6.571 0.025 . 1 . . . . 37 TYR HE1 . 6924 1 243 . 1 1 37 37 TYR HE2 H 1 6.571 0.025 . 1 . . . . 37 TYR HE2 . 6924 1 244 . 1 1 38 38 PRO HA H 1 4.37 0.025 . 1 . . . . 38 PRO HA . 6924 1 245 . 1 1 38 38 PRO HB2 H 1 2.32 0.025 . 2 . . . . 38 PRO HB2 . 6924 1 246 . 1 1 38 38 PRO HB3 H 1 2.08 0.025 . 2 . . . . 38 PRO HB3 . 6924 1 247 . 1 1 38 38 PRO HG2 H 1 2.043 0.025 . 2 . . . . 38 PRO HG2 . 6924 1 248 . 1 1 38 38 PRO HG3 H 1 1.819 0.025 . 2 . . . . 38 PRO HG3 . 6924 1 249 . 1 1 38 38 PRO HD2 H 1 3.766 0.025 . 2 . . . . 38 PRO HD2 . 6924 1 250 . 1 1 38 38 PRO HD3 H 1 3.389 0.025 . 2 . . . . 38 PRO HD3 . 6924 1 stop_ save_