################################### # 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 34268 _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' . . . 34268 1 2 '2D 1H-1H NOESY' . . . 34268 1 3 '15N Sofast HMQC' . . . 34268 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.Ambiguity_set_ID _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 N N 15 128.837 0 . . . . . . 1 1 PCA N . 34268 1 2 . 1 1 1 1 PCA HA H 1 4.099 0 . . . . . . 1 1 PCA HA . 34268 1 3 . 1 1 1 1 PCA HB2 H 1 2.081 0 . . . . . . 1 1 PCA HB2 . 34268 1 4 . 1 1 1 1 PCA HB3 H 1 1.835 0 . . . . . . 1 1 PCA HB3 . 34268 1 5 . 1 1 1 1 PCA HG2 H 1 2.435 0 . . . . . . 1 1 PCA HG2 . 34268 1 6 . 1 1 1 1 PCA HG3 H 1 2.385 0 . . . . . . 1 1 PCA HG3 . 34268 1 7 . 1 1 2 2 ILE H H 1 8.795 0 . . . . . . 1 2 ILE H . 34268 1 8 . 1 1 2 2 ILE HA H 1 4.232 0 . . . . . . 1 2 ILE HA . 34268 1 9 . 1 1 2 2 ILE HB H 1 1.535 0 . . . . . . 1 2 ILE HB . 34268 1 10 . 1 1 2 2 ILE HG12 H 1 1.126 0 . . . . . . 1 2 ILE HG12 . 34268 1 11 . 1 1 2 2 ILE HG13 H 1 1.360 0 . . . . . . 1 2 ILE HG13 . 34268 1 12 . 1 1 2 2 ILE HG21 H 1 0.745 0 . . . . . . 1 2 ILE HG21 . 34268 1 13 . 1 1 2 2 ILE HG22 H 1 0.745 0 . . . . . . 1 2 ILE HG22 . 34268 1 14 . 1 1 2 2 ILE HG23 H 1 0.745 0 . . . . . . 1 2 ILE HG23 . 34268 1 15 . 1 1 2 2 ILE HD11 H 1 0.759 0 . . . . . . 1 2 ILE HD11 . 34268 1 16 . 1 1 2 2 ILE HD12 H 1 0.759 0 . . . . . . 1 2 ILE HD12 . 34268 1 17 . 1 1 2 2 ILE HD13 H 1 0.759 0 . . . . . . 1 2 ILE HD13 . 34268 1 18 . 1 1 2 2 ILE N N 15 125.802 0 . . . . . . 1 2 ILE N . 34268 1 19 . 1 1 3 3 GLU H H 1 8.857 0 . . . . . . 1 3 GLU H . 34268 1 20 . 1 1 3 3 GLU HA H 1 4.277 0 . . . . . . 1 3 GLU HA . 34268 1 21 . 1 1 3 3 GLU HB2 H 1 2.063 0 . . . . . . 1 3 GLU HB2 . 34268 1 22 . 1 1 3 3 GLU HB3 H 1 1.983 0 . . . . . . 1 3 GLU HB3 . 34268 1 23 . 1 1 3 3 GLU HG2 H 1 2.319 0 . . . . . . 1 3 GLU HG2 . 34268 1 24 . 1 1 3 3 GLU HG3 H 1 2.243 0 . . . . . . 1 3 GLU HG3 . 34268 1 25 . 1 1 3 3 GLU N N 15 130.615 0 . . . . . . 1 3 GLU N . 34268 1 26 . 1 1 4 4 THR H H 1 7.817 0 . . . . . . 1 4 THR H . 34268 1 27 . 1 1 4 4 THR HA H 1 4.565 0 . . . . . . 1 4 THR HA . 34268 1 28 . 1 1 4 4 THR HB H 1 4.197 0 . . . . . . 1 4 THR HB . 34268 1 29 . 1 1 4 4 THR HG1 H 1 5.724 0 . . . . . . 1 4 THR HG1 . 34268 1 30 . 1 1 4 4 THR HG21 H 1 1.133 0 . . . . . . 1 4 THR HG21 . 34268 1 31 . 1 1 4 4 THR HG22 H 1 1.133 0 . . . . . . 1 4 THR HG22 . 34268 1 32 . 1 1 4 4 THR HG23 H 1 1.133 0 . . . . . . 1 4 THR HG23 . 34268 1 33 . 1 1 4 4 THR N N 15 116.640 0 . . . . . . 1 4 THR N . 34268 1 34 . 1 1 5 5 ASN HA H 1 4.634 0 . . . . . . 1 5 ASN HA . 34268 1 35 . 1 1 5 5 ASN HB2 H 1 2.919 0 . . . . . . 1 5 ASN HB2 . 34268 1 36 . 1 1 5 5 ASN HB3 H 1 2.920 0 . . . . . . 1 5 ASN HB3 . 34268 1 37 . 1 1 5 5 ASN HD21 H 1 7.525 0 . . . . . . 1 5 ASN HD21 . 34268 1 38 . 1 1 5 5 ASN HD22 H 1 6.858 0 . . . . . . 1 5 ASN HD22 . 34268 1 39 . 1 1 6 6 LYS H H 1 8.229 0 . . . . . . 1 6 LYS H . 34268 1 40 . 1 1 6 6 LYS HA H 1 4.466 0 . . . . . . 1 6 LYS HA . 34268 1 41 . 1 1 6 6 LYS HB2 H 1 1.700 0 . . . . . . 1 6 LYS HB2 . 34268 1 42 . 1 1 6 6 LYS HB3 H 1 1.700 0 . . . . . . 1 6 LYS HB3 . 34268 1 43 . 1 1 6 6 LYS HG2 H 1 1.401 0 . . . . . . 1 6 LYS HG2 . 34268 1 44 . 1 1 6 6 LYS HG3 H 1 1.401 0 . . . . . . 1 6 LYS HG3 . 34268 1 45 . 1 1 6 6 LYS HD2 H 1 1.596 0 . . . . . . 1 6 LYS HD2 . 34268 1 46 . 1 1 6 6 LYS HD3 H 1 1.596 0 . . . . . . 1 6 LYS HD3 . 34268 1 47 . 1 1 6 6 LYS HE2 H 1 2.938 0 . . . . . . 1 6 LYS HE2 . 34268 1 48 . 1 1 6 6 LYS HE3 H 1 2.987 0 . . . . . . 1 6 LYS HE3 . 34268 1 49 . 1 1 6 6 LYS N N 15 122.891 0 . . . . . . 1 6 LYS N . 34268 1 50 . 1 1 7 7 LYS H H 1 8.423 0 . . . . . . 1 7 LYS H . 34268 1 51 . 1 1 7 7 LYS HA H 1 4.574 0 . . . . . . 1 7 LYS HA . 34268 1 52 . 1 1 7 7 LYS HB2 H 1 1.714 0 . . . . . . 1 7 LYS HB2 . 34268 1 53 . 1 1 7 7 LYS HB3 H 1 1.882 0 . . . . . . 1 7 LYS HB3 . 34268 1 54 . 1 1 7 7 LYS HG2 H 1 1.478 0 . . . . . . 1 7 LYS HG2 . 34268 1 55 . 1 1 7 7 LYS HG3 H 1 1.478 0 . . . . . . 1 7 LYS HG3 . 34268 1 56 . 1 1 7 7 LYS HD2 H 1 1.592 0 . . . . . . 1 7 LYS HD2 . 34268 1 57 . 1 1 7 7 LYS HD3 H 1 1.592 0 . . . . . . 1 7 LYS HD3 . 34268 1 58 . 1 1 7 7 LYS HE2 H 1 3.001 0 . . . . . . 1 7 LYS HE2 . 34268 1 59 . 1 1 7 7 LYS HE3 H 1 3.001 0 . . . . . . 1 7 LYS HE3 . 34268 1 60 . 1 1 7 7 LYS N N 15 125.323 0 . . . . . . 1 7 LYS N . 34268 1 61 . 1 1 8 8 CYS H H 1 7.671 0 . . . . . . 1 8 CYS H . 34268 1 62 . 1 1 8 8 CYS HA H 1 4.404 0 . . . . . . 1 8 CYS HA . 34268 1 63 . 1 1 8 8 CYS HB2 H 1 2.916 0 . . . . . . 1 8 CYS HB2 . 34268 1 64 . 1 1 8 8 CYS HB3 H 1 3.087 0 . . . . . . 1 8 CYS HB3 . 34268 1 65 . 1 1 8 8 CYS N N 15 119.497 0 . . . . . . 1 8 CYS N . 34268 1 66 . 1 1 9 9 GLN H H 1 8.405 0 . . . . . . 1 9 GLN H . 34268 1 67 . 1 1 9 9 GLN HA H 1 4.544 0 . . . . . . 1 9 GLN HA . 34268 1 68 . 1 1 9 9 GLN HB2 H 1 2.070 0 . . . . . . 1 9 GLN HB2 . 34268 1 69 . 1 1 9 9 GLN HB3 H 1 1.935 0 . . . . . . 1 9 GLN HB3 . 34268 1 70 . 1 1 9 9 GLN HG2 H 1 2.267 0 . . . . . . 1 9 GLN HG2 . 34268 1 71 . 1 1 9 9 GLN HG3 H 1 2.267 0 . . . . . . 1 9 GLN HG3 . 34268 1 72 . 1 1 9 9 GLN HE21 H 1 6.823 0 . . . . . . 1 9 GLN HE21 . 34268 1 73 . 1 1 9 9 GLN HE22 H 1 7.501 0 . . . . . . 1 9 GLN HE22 . 34268 1 74 . 1 1 9 9 GLN N N 15 123.171 0 . . . . . . 1 9 GLN N . 34268 1 75 . 1 1 10 10 GLY H H 1 8.715 0 . . . . . . 1 10 GLY H . 34268 1 76 . 1 1 10 10 GLY HA2 H 1 3.985 0 . . . . . . 1 10 GLY HA2 . 34268 1 77 . 1 1 10 10 GLY HA3 H 1 3.845 0 . . . . . . 1 10 GLY HA3 . 34268 1 78 . 1 1 11 11 GLY H H 1 8.350 0 . . . . . . 1 11 GLY H . 34268 1 79 . 1 1 11 11 GLY HA2 H 1 4.105 0 . . . . . . 1 11 GLY HA2 . 34268 1 80 . 1 1 11 11 GLY HA3 H 1 3.922 0 . . . . . . 1 11 GLY HA3 . 34268 1 81 . 1 1 11 11 GLY N N 15 110.045 0 . . . . . . 1 11 GLY N . 34268 1 82 . 1 1 12 12 SER H H 1 7.994 0 . . . . . . 1 12 SER H . 34268 1 83 . 1 1 12 12 SER HA H 1 4.664 0 . . . . . . 1 12 SER HA . 34268 1 84 . 1 1 12 12 SER HB2 H 1 4.031 0 . . . . . . 1 12 SER HB2 . 34268 1 85 . 1 1 12 12 SER HB3 H 1 3.958 0 . . . . . . 1 12 SER HB3 . 34268 1 86 . 1 1 12 12 SER N N 15 116.577 0 . . . . . . 1 12 SER N . 34268 1 87 . 1 1 13 13 CYS H H 1 9.132 0 . . . . . . 1 13 CYS H . 34268 1 88 . 1 1 13 13 CYS HA H 1 4.841 0 . . . . . . 1 13 CYS HA . 34268 1 89 . 1 1 13 13 CYS HB2 H 1 2.410 0 . . . . . . 1 13 CYS HB2 . 34268 1 90 . 1 1 13 13 CYS HB3 H 1 3.188 0 . . . . . . 1 13 CYS HB3 . 34268 1 91 . 1 1 13 13 CYS N N 15 125.334 0 . . . . . . 1 13 CYS N . 34268 1 92 . 1 1 14 14 ALA H H 1 8.114 0 . . . . . . 1 14 ALA H . 34268 1 93 . 1 1 14 14 ALA HA H 1 3.926 0 . . . . . . 1 14 ALA HA . 34268 1 94 . 1 1 14 14 ALA HB1 H 1 1.448 0 . . . . . . 1 14 ALA HB1 . 34268 1 95 . 1 1 14 14 ALA HB2 H 1 1.448 0 . . . . . . 1 14 ALA HB2 . 34268 1 96 . 1 1 14 14 ALA HB3 H 1 1.448 0 . . . . . . 1 14 ALA HB3 . 34268 1 97 . 1 1 14 14 ALA N N 15 128.914 0 . . . . . . 1 14 ALA N . 34268 1 98 . 1 1 15 15 SER H H 1 8.301 0 . . . . . . 1 15 SER H . 34268 1 99 . 1 1 15 15 SER HA H 1 4.133 0 . . . . . . 1 15 SER HA . 34268 1 100 . 1 1 15 15 SER HB2 H 1 3.902 0 . . . . . . 1 15 SER HB2 . 34268 1 101 . 1 1 15 15 SER HB3 H 1 3.902 0 . . . . . . 1 15 SER HB3 . 34268 1 102 . 1 1 15 15 SER N N 15 115.081 0 . . . . . . 1 15 SER N . 34268 1 103 . 1 1 16 16 VAL H H 1 7.429 0 . . . . . . 1 16 VAL H . 34268 1 104 . 1 1 16 16 VAL HA H 1 3.666 0 . . . . . . 1 16 VAL HA . 34268 1 105 . 1 1 16 16 VAL HB H 1 2.040 0 . . . . . . 1 16 VAL HB . 34268 1 106 . 1 1 16 16 VAL HG11 H 1 0.783 0 . . . . . . 1 16 VAL HG11 . 34268 1 107 . 1 1 16 16 VAL HG12 H 1 0.783 0 . . . . . . 1 16 VAL HG12 . 34268 1 108 . 1 1 16 16 VAL HG13 H 1 0.783 0 . . . . . . 1 16 VAL HG13 . 34268 1 109 . 1 1 16 16 VAL HG21 H 1 1.064 0 . . . . . . 1 16 VAL HG21 . 34268 1 110 . 1 1 16 16 VAL HG22 H 1 1.064 0 . . . . . . 1 16 VAL HG22 . 34268 1 111 . 1 1 16 16 VAL HG23 H 1 1.064 0 . . . . . . 1 16 VAL HG23 . 34268 1 112 . 1 1 16 16 VAL N N 15 125.439 0 . . . . . . 1 16 VAL N . 34268 1 113 . 1 1 17 17 CYS H H 1 8.457 0 . . . . . . 1 17 CYS H . 34268 1 114 . 1 1 17 17 CYS HA H 1 4.436 0 . . . . . . 1 17 CYS HA . 34268 1 115 . 1 1 17 17 CYS HB2 H 1 2.792 0 . . . . . . 1 17 CYS HB2 . 34268 1 116 . 1 1 17 17 CYS HB3 H 1 3.025 0 . . . . . . 1 17 CYS HB3 . 34268 1 117 . 1 1 17 17 CYS N N 15 120.118 0 . . . . . . 1 17 CYS N . 34268 1 118 . 1 1 18 18 ARG H H 1 8.211 0 . . . . . . 1 18 ARG H . 34268 1 119 . 1 1 18 18 ARG HA H 1 3.594 0 . . . . . . 1 18 ARG HA . 34268 1 120 . 1 1 18 18 ARG HB2 H 1 1.773 0 . . . . . . 1 18 ARG HB2 . 34268 1 121 . 1 1 18 18 ARG HB3 H 1 1.858 0 . . . . . . 1 18 ARG HB3 . 34268 1 122 . 1 1 18 18 ARG HG2 H 1 1.533 0 . . . . . . 1 18 ARG HG2 . 34268 1 123 . 1 1 18 18 ARG HG3 H 1 1.533 0 . . . . . . 1 18 ARG HG3 . 34268 1 124 . 1 1 18 18 ARG HD2 H 1 3.114 0 . . . . . . 1 18 ARG HD2 . 34268 1 125 . 1 1 18 18 ARG HD3 H 1 3.114 0 . . . . . . 1 18 ARG HD3 . 34268 1 126 . 1 1 18 18 ARG HE H 1 7.241 0 . . . . . . 1 18 ARG HE . 34268 1 127 . 1 1 18 18 ARG N N 15 125.438 0 . . . . . . 1 18 ARG N . 34268 1 128 . 1 1 19 19 LYS H H 1 7.401 0 . . . . . . 1 19 LYS H . 34268 1 129 . 1 1 19 19 LYS HA H 1 4.126 0 . . . . . . 1 19 LYS HA . 34268 1 130 . 1 1 19 19 LYS HB2 H 1 1.943 0 . . . . . . 1 19 LYS HB2 . 34268 1 131 . 1 1 19 19 LYS HB3 H 1 1.982 0 . . . . . . 1 19 LYS HB3 . 34268 1 132 . 1 1 19 19 LYS HG2 H 1 1.440 0 . . . . . . 1 19 LYS HG2 . 34268 1 133 . 1 1 19 19 LYS HG3 H 1 1.524 0 . . . . . . 1 19 LYS HG3 . 34268 1 134 . 1 1 19 19 LYS HD2 H 1 1.674 0 . . . . . . 1 19 LYS HD2 . 34268 1 135 . 1 1 19 19 LYS HD3 H 1 1.674 0 . . . . . . 1 19 LYS HD3 . 34268 1 136 . 1 1 19 19 LYS HE2 H 1 2.960 0 . . . . . . 1 19 LYS HE2 . 34268 1 137 . 1 1 19 19 LYS HE3 H 1 2.962 0 . . . . . . 1 19 LYS HE3 . 34268 1 138 . 1 1 19 19 LYS N N 15 120.543 0 . . . . . . 1 19 LYS N . 34268 1 139 . 1 1 20 20 VAL H H 1 8.119 0 . . . . . . 1 20 VAL H . 34268 1 140 . 1 1 20 20 VAL HA H 1 3.954 0 . . . . . . 1 20 VAL HA . 34268 1 141 . 1 1 20 20 VAL HB H 1 2.048 0 . . . . . . 1 20 VAL HB . 34268 1 142 . 1 1 20 20 VAL HG11 H 1 0.959 0 . . . . . . 1 20 VAL HG11 . 34268 1 143 . 1 1 20 20 VAL HG12 H 1 0.959 0 . . . . . . 1 20 VAL HG12 . 34268 1 144 . 1 1 20 20 VAL HG13 H 1 0.959 0 . . . . . . 1 20 VAL HG13 . 34268 1 145 . 1 1 20 20 VAL HG21 H 1 1.054 0 . . . . . . 1 20 VAL HG21 . 34268 1 146 . 1 1 20 20 VAL HG22 H 1 1.054 0 . . . . . . 1 20 VAL HG22 . 34268 1 147 . 1 1 20 20 VAL HG23 H 1 1.054 0 . . . . . . 1 20 VAL HG23 . 34268 1 148 . 1 1 20 20 VAL N N 15 120.387 0 . . . . . . 1 20 VAL N . 34268 1 149 . 1 1 21 21 ILE H H 1 8.382 0 . . . . . . 1 21 ILE H . 34268 1 150 . 1 1 21 21 ILE HA H 1 4.717 0 . . . . . . 1 21 ILE HA . 34268 1 151 . 1 1 21 21 ILE HB H 1 2.175 0 . . . . . . 1 21 ILE HB . 34268 1 152 . 1 1 21 21 ILE HG12 H 1 1.408 0 . . . . . . 1 21 ILE HG12 . 34268 1 153 . 1 1 21 21 ILE HG13 H 1 1.225 0 . . . . . . 1 21 ILE HG13 . 34268 1 154 . 1 1 21 21 ILE HG21 H 1 0.904 0 . . . . . . 1 21 ILE HG21 . 34268 1 155 . 1 1 21 21 ILE HG22 H 1 0.904 0 . . . . . . 1 21 ILE HG22 . 34268 1 156 . 1 1 21 21 ILE HG23 H 1 0.904 0 . . . . . . 1 21 ILE HG23 . 34268 1 157 . 1 1 21 21 ILE HD11 H 1 0.786 0 . . . . . . 1 21 ILE HD11 . 34268 1 158 . 1 1 21 21 ILE HD12 H 1 0.786 0 . . . . . . 1 21 ILE HD12 . 34268 1 159 . 1 1 21 21 ILE HD13 H 1 0.786 0 . . . . . . 1 21 ILE HD13 . 34268 1 160 . 1 1 21 21 ILE N N 15 115.521 0 . . . . . . 1 21 ILE N . 34268 1 161 . 1 1 22 22 GLY H H 1 7.591 0 . . . . . . 1 22 GLY H . 34268 1 162 . 1 1 22 22 GLY HA2 H 1 4.295 0 . . . . . . 1 22 GLY HA2 . 34268 1 163 . 1 1 22 22 GLY HA3 H 1 4.006 0 . . . . . . 1 22 GLY HA3 . 34268 1 164 . 1 1 22 22 GLY N N 15 113.405 0 . . . . . . 1 22 GLY N . 34268 1 165 . 1 1 23 23 VAL H H 1 7.037 0 . . . . . . 1 23 VAL H . 34268 1 166 . 1 1 23 23 VAL HA H 1 4.370 0 . . . . . . 1 23 VAL HA . 34268 1 167 . 1 1 23 23 VAL HB H 1 1.989 0 . . . . . . 1 23 VAL HB . 34268 1 168 . 1 1 23 23 VAL HG11 H 1 0.853 0 . . . . . . 1 23 VAL HG11 . 34268 1 169 . 1 1 23 23 VAL HG12 H 1 0.853 0 . . . . . . 1 23 VAL HG12 . 34268 1 170 . 1 1 23 23 VAL HG13 H 1 0.853 0 . . . . . . 1 23 VAL HG13 . 34268 1 171 . 1 1 23 23 VAL HG21 H 1 0.925 0 . . . . . . 1 23 VAL HG21 . 34268 1 172 . 1 1 23 23 VAL HG22 H 1 0.925 0 . . . . . . 1 23 VAL HG22 . 34268 1 173 . 1 1 23 23 VAL HG23 H 1 0.925 0 . . . . . . 1 23 VAL HG23 . 34268 1 174 . 1 1 23 23 VAL N N 15 119.832 0 . . . . . . 1 23 VAL N . 34268 1 175 . 1 1 24 24 ALA H H 1 8.471 0 . . . . . . 1 24 ALA H . 34268 1 176 . 1 1 24 24 ALA HA H 1 4.481 0 . . . . . . 1 24 ALA HA . 34268 1 177 . 1 1 24 24 ALA HB1 H 1 1.277 0 . . . . . . 1 24 ALA HB1 . 34268 1 178 . 1 1 24 24 ALA HB2 H 1 1.277 0 . . . . . . 1 24 ALA HB2 . 34268 1 179 . 1 1 24 24 ALA HB3 H 1 1.277 0 . . . . . . 1 24 ALA HB3 . 34268 1 180 . 1 1 24 24 ALA N N 15 129.419 0 . . . . . . 1 24 ALA N . 34268 1 181 . 1 1 25 25 ALA H H 1 7.526 0 . . . . . . 1 25 ALA H . 34268 1 182 . 1 1 25 25 ALA HA H 1 4.576 0 . . . . . . 1 25 ALA HA . 34268 1 183 . 1 1 25 25 ALA HB1 H 1 1.424 0 . . . . . . 1 25 ALA HB1 . 34268 1 184 . 1 1 25 25 ALA HB2 H 1 1.424 0 . . . . . . 1 25 ALA HB2 . 34268 1 185 . 1 1 25 25 ALA HB3 H 1 1.424 0 . . . . . . 1 25 ALA HB3 . 34268 1 186 . 1 1 25 25 ALA N N 15 126.706 0 . . . . . . 1 25 ALA N . 34268 1 187 . 1 1 26 26 GLY H H 1 8.164 0 . . . . . . 1 26 GLY H . 34268 1 188 . 1 1 26 26 GLY HA2 H 1 4.205 0 . . . . . . 1 26 GLY HA2 . 34268 1 189 . 1 1 26 26 GLY HA3 H 1 4.822 0 . . . . . . 1 26 GLY HA3 . 34268 1 190 . 1 1 26 26 GLY N N 15 111.718 0 . . . . . . 1 26 GLY N . 34268 1 191 . 1 1 27 27 LYS H H 1 9.215 0 . . . . . . 1 27 LYS H . 34268 1 192 . 1 1 27 27 LYS HA H 1 4.599 0 . . . . . . 1 27 LYS HA . 34268 1 193 . 1 1 27 27 LYS HB2 H 1 1.806 0 . . . . . . 1 27 LYS HB2 . 34268 1 194 . 1 1 27 27 LYS HB3 H 1 1.805 0 . . . . . . 1 27 LYS HB3 . 34268 1 195 . 1 1 27 27 LYS HG2 H 1 1.398 0 . . . . . . 1 27 LYS HG2 . 34268 1 196 . 1 1 27 27 LYS HG3 H 1 1.398 0 . . . . . . 1 27 LYS HG3 . 34268 1 197 . 1 1 27 27 LYS HD2 H 1 1.658 0 . . . . . . 1 27 LYS HD2 . 34268 1 198 . 1 1 27 27 LYS HD3 H 1 1.658 0 . . . . . . 1 27 LYS HD3 . 34268 1 199 . 1 1 27 27 LYS HE2 H 1 2.836 0 . . . . . . 1 27 LYS HE2 . 34268 1 200 . 1 1 27 27 LYS HE3 H 1 2.836 0 . . . . . . 1 27 LYS HE3 . 34268 1 201 . 1 1 27 27 LYS N N 15 122.629 0 . . . . . . 1 27 LYS N . 34268 1 202 . 1 1 28 28 CYS H H 1 8.822 0 . . . . . . 1 28 CYS H . 34268 1 203 . 1 1 28 28 CYS HA H 1 4.791 0 . . . . . . 1 28 CYS HA . 34268 1 204 . 1 1 28 28 CYS HB2 H 1 2.757 0 . . . . . . 1 28 CYS HB2 . 34268 1 205 . 1 1 28 28 CYS HB3 H 1 3.086 0 . . . . . . 1 28 CYS HB3 . 34268 1 206 . 1 1 28 28 CYS N N 15 127.113 0 . . . . . . 1 28 CYS N . 34268 1 207 . 1 1 29 29 ILE H H 1 9.134 0 . . . . . . 1 29 ILE H . 34268 1 208 . 1 1 29 29 ILE HA H 1 4.353 0 . . . . . . 1 29 ILE HA . 34268 1 209 . 1 1 29 29 ILE HB H 1 1.806 0 . . . . . . 1 29 ILE HB . 34268 1 210 . 1 1 29 29 ILE HG12 H 1 1.476 0 . . . . . . 1 29 ILE HG12 . 34268 1 211 . 1 1 29 29 ILE HG13 H 1 1.066 0 . . . . . . 1 29 ILE HG13 . 34268 1 212 . 1 1 29 29 ILE HG21 H 1 0.869 0 . . . . . . 1 29 ILE HG21 . 34268 1 213 . 1 1 29 29 ILE HG22 H 1 0.869 0 . . . . . . 1 29 ILE HG22 . 34268 1 214 . 1 1 29 29 ILE HG23 H 1 0.869 0 . . . . . . 1 29 ILE HG23 . 34268 1 215 . 1 1 29 29 ILE HD11 H 1 0.864 0 . . . . . . 1 29 ILE HD11 . 34268 1 216 . 1 1 29 29 ILE HD12 H 1 0.864 0 . . . . . . 1 29 ILE HD12 . 34268 1 217 . 1 1 29 29 ILE HD13 H 1 0.864 0 . . . . . . 1 29 ILE HD13 . 34268 1 218 . 1 1 29 29 ILE N N 15 125.334 0 . . . . . . 1 29 ILE N . 34268 1 219 . 1 1 30 30 ASN H H 1 9.496 0 . . . . . . 1 30 ASN H . 34268 1 220 . 1 1 30 30 ASN HA H 1 4.353 0 . . . . . . 1 30 ASN HA . 34268 1 221 . 1 1 30 30 ASN HB2 H 1 3.086 0 . . . . . . 1 30 ASN HB2 . 34268 1 222 . 1 1 30 30 ASN HB3 H 1 2.753 0 . . . . . . 1 30 ASN HB3 . 34268 1 223 . 1 1 30 30 ASN HD21 H 1 7.639 0 . . . . . . 1 30 ASN HD21 . 34268 1 224 . 1 1 30 30 ASN HD22 H 1 6.903 0 . . . . . . 1 30 ASN HD22 . 34268 1 225 . 1 1 30 30 ASN N N 15 130.123 0 . . . . . . 1 30 ASN N . 34268 1 226 . 1 1 31 31 GLY H H 1 8.276 0 . . . . . . 1 31 GLY H . 34268 1 227 . 1 1 31 31 GLY HA2 H 1 3.665 0 . . . . . . 1 31 GLY HA2 . 34268 1 228 . 1 1 31 31 GLY HA3 H 1 4.098 0 . . . . . . 1 31 GLY HA3 . 34268 1 229 . 1 1 31 31 GLY N N 15 105.326 0 . . . . . . 1 31 GLY N . 34268 1 230 . 1 1 32 32 ARG H H 1 7.821 0 . . . . . . 1 32 ARG H . 34268 1 231 . 1 1 32 32 ARG HA H 1 5.178 0 . . . . . . 1 32 ARG HA . 34268 1 232 . 1 1 32 32 ARG HB2 H 1 1.718 0 . . . . . . 1 32 ARG HB2 . 34268 1 233 . 1 1 32 32 ARG HB3 H 1 1.718 0 . . . . . . 1 32 ARG HB3 . 34268 1 234 . 1 1 32 32 ARG HG2 H 1 1.498 0 . . . . . . 1 32 ARG HG2 . 34268 1 235 . 1 1 32 32 ARG HG3 H 1 1.606 0 . . . . . . 1 32 ARG HG3 . 34268 1 236 . 1 1 32 32 ARG HD2 H 1 3.148 0 . . . . . . 1 32 ARG HD2 . 34268 1 237 . 1 1 32 32 ARG HD3 H 1 3.064 0 . . . . . . 1 32 ARG HD3 . 34268 1 238 . 1 1 32 32 ARG HE H 1 7.348 0 . . . . . . 1 32 ARG HE . 34268 1 239 . 1 1 32 32 ARG N N 15 123.465 0 . . . . . . 1 32 ARG N . 34268 1 240 . 1 1 33 33 CYS H H 1 8.413 0 . . . . . . 1 33 CYS H . 34268 1 241 . 1 1 33 33 CYS HA H 1 5.175 0 . . . . . . 1 33 CYS HA . 34268 1 242 . 1 1 33 33 CYS HB2 H 1 2.680 0 . . . . . . 1 33 CYS HB2 . 34268 1 243 . 1 1 33 33 CYS HB3 H 1 2.541 0 . . . . . . 1 33 CYS HB3 . 34268 1 244 . 1 1 33 33 CYS N N 15 120.046 0 . . . . . . 1 33 CYS N . 34268 1 245 . 1 1 34 34 VAL H H 1 9.252 0 . . . . . . 1 34 VAL H . 34268 1 246 . 1 1 34 34 VAL HA H 1 4.720 0 . . . . . . 1 34 VAL HA . 34268 1 247 . 1 1 34 34 VAL HB H 1 1.987 0 . . . . . . 1 34 VAL HB . 34268 1 248 . 1 1 34 34 VAL HG11 H 1 0.963 0 . . . . . . 1 34 VAL HG11 . 34268 1 249 . 1 1 34 34 VAL HG12 H 1 0.963 0 . . . . . . 1 34 VAL HG12 . 34268 1 250 . 1 1 34 34 VAL HG13 H 1 0.963 0 . . . . . . 1 34 VAL HG13 . 34268 1 251 . 1 1 34 34 VAL HG21 H 1 0.630 0 . . . . . . 1 34 VAL HG21 . 34268 1 252 . 1 1 34 34 VAL HG22 H 1 0.630 0 . . . . . . 1 34 VAL HG22 . 34268 1 253 . 1 1 34 34 VAL HG23 H 1 0.630 0 . . . . . . 1 34 VAL HG23 . 34268 1 254 . 1 1 34 34 VAL N N 15 131.211 0 . . . . . . 1 34 VAL N . 34268 1 255 . 1 1 35 35 CYS H H 1 8.806 0 . . . . . . 1 35 CYS H . 34268 1 256 . 1 1 35 35 CYS HA H 1 5.481 0 . . . . . . 1 35 CYS HA . 34268 1 257 . 1 1 35 35 CYS HB2 H 1 2.217 0 . . . . . . 1 35 CYS HB2 . 34268 1 258 . 1 1 35 35 CYS HB3 H 1 3.117 0 . . . . . . 1 35 CYS HB3 . 34268 1 259 . 1 1 35 35 CYS N N 15 125.327 0 . . . . . . 1 35 CYS N . 34268 1 260 . 1 1 36 36 TYR H H 1 8.323 0 . . . . . . 1 36 TYR H . 34268 1 261 . 1 1 36 36 TYR HA H 1 5.027 0 . . . . . . 1 36 TYR HA . 34268 1 262 . 1 1 36 36 TYR HB2 H 1 3.014 0 . . . . . . 1 36 TYR HB2 . 34268 1 263 . 1 1 36 36 TYR HB3 H 1 2.605 0 . . . . . . 1 36 TYR HB3 . 34268 1 264 . 1 1 36 36 TYR HD1 H 1 6.999 0 . . . . . . 1 36 TYR HD1 . 34268 1 265 . 1 1 36 36 TYR HD2 H 1 6.999 0 . . . . . . 1 36 TYR HD2 . 34268 1 266 . 1 1 36 36 TYR HE1 H 1 6.605 0 . . . . . . 1 36 TYR HE1 . 34268 1 267 . 1 1 36 36 TYR HE2 H 1 6.605 0 . . . . . . 1 36 TYR HE2 . 34268 1 268 . 1 1 36 36 TYR N N 15 125.372 0 . . . . . . 1 36 TYR N . 34268 1 269 . 1 1 37 37 PRO HA H 1 4.213 0 . . . . . . 1 37 PRO HA . 34268 1 270 . 1 1 37 37 PRO HB2 H 1 1.988 0 . . . . . . 1 37 PRO HB2 . 34268 1 271 . 1 1 37 37 PRO HB3 H 1 2.137 0 . . . . . . 1 37 PRO HB3 . 34268 1 272 . 1 1 37 37 PRO HG2 H 1 1.882 0 . . . . . . 1 37 PRO HG2 . 34268 1 273 . 1 1 37 37 PRO HG3 H 1 1.994 0 . . . . . . 1 37 PRO HG3 . 34268 1 274 . 1 1 37 37 PRO HD2 H 1 3.889 0 . . . . . . 1 37 PRO HD2 . 34268 1 275 . 1 1 37 37 PRO HD3 H 1 3.427 0 . . . . . . 1 37 PRO HD3 . 34268 1 stop_ save_