################################### # 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 31055 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 31055 1 2 '2D 1H-1H NOESY' . . . 31055 1 3 '2D DQF-COSY' . . . 31055 1 4 '2D 1H-13C HSQC aliphatic' . . . 31055 1 5 '2D 1H-1H TOCSY' . . . 31055 1 6 '2D 1H-1H NOESY' . . . 31055 1 7 '2D ECOSY' . . . 31055 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 GLY HA2 H 1 3.864 0.001 . 2 . . . . A 1 GLY HA2 . 31055 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.864 0.001 . 2 . . . . A 1 GLY HA3 . 31055 1 3 . 1 . 1 2 2 CYS H H 1 8.736 0.000 . 1 . . . . A 2 CYS H . 31055 1 4 . 1 . 1 2 2 CYS HA H 1 4.511 0.001 . 1 . . . . A 2 CYS HA . 31055 1 5 . 1 . 1 2 2 CYS HB2 H 1 3.103 0.002 . 2 . . . . A 2 CYS HB2 . 31055 1 6 . 1 . 1 2 2 CYS HB3 H 1 3.103 0.002 . 2 . . . . A 2 CYS HB3 . 31055 1 7 . 1 . 1 3 3 ASN H H 1 9.130 0.001 . 1 . . . . A 3 ASN H . 31055 1 8 . 1 . 1 3 3 ASN HA H 1 4.580 0.003 . 1 . . . . A 3 ASN HA . 31055 1 9 . 1 . 1 3 3 ASN HB2 H 1 2.958 0.002 . 2 . . . . A 3 ASN HB2 . 31055 1 10 . 1 . 1 3 3 ASN HB3 H 1 2.870 0.004 . 2 . . . . A 3 ASN HB3 . 31055 1 11 . 1 . 1 3 3 ASN HD21 H 1 7.501 0.000 . 2 . . . . A 3 ASN HD21 . 31055 1 12 . 1 . 1 3 3 ASN HD22 H 1 6.694 0.002 . 2 . . . . A 3 ASN HD22 . 31055 1 13 . 1 . 1 4 4 ARG H H 1 8.742 0.003 . 1 . . . . A 4 ARG H . 31055 1 14 . 1 . 1 4 4 ARG HA H 1 4.572 0.003 . 1 . . . . A 4 ARG HA . 31055 1 15 . 1 . 1 4 4 ARG HB2 H 1 2.084 0.005 . 2 . . . . A 4 ARG HB2 . 31055 1 16 . 1 . 1 4 4 ARG HB3 H 1 2.379 0.006 . 2 . . . . A 4 ARG HB3 . 31055 1 17 . 1 . 1 4 4 ARG HG2 H 1 1.676 0.004 . 2 . . . . A 4 ARG HG2 . 31055 1 18 . 1 . 1 4 4 ARG HG3 H 1 1.676 0.004 . 2 . . . . A 4 ARG HG3 . 31055 1 19 . 1 . 1 4 4 ARG HD2 H 1 3.208 0.003 . 2 . . . . A 4 ARG HD2 . 31055 1 20 . 1 . 1 4 4 ARG HD3 H 1 3.059 0.003 . 2 . . . . A 4 ARG HD3 . 31055 1 21 . 1 . 1 5 5 LEU H H 1 7.817 0.001 . 1 . . . . A 5 LEU H . 31055 1 22 . 1 . 1 5 5 LEU HA H 1 3.697 0.004 . 1 . . . . A 5 LEU HA . 31055 1 23 . 1 . 1 5 5 LEU HB2 H 1 1.818 0.003 . 2 . . . . A 5 LEU HB2 . 31055 1 24 . 1 . 1 5 5 LEU HB3 H 1 1.291 0.004 . 2 . . . . A 5 LEU HB3 . 31055 1 25 . 1 . 1 5 5 LEU HG H 1 1.752 0.002 . 1 . . . . A 5 LEU HG . 31055 1 26 . 1 . 1 5 5 LEU HD11 H 1 0.962 0.003 . . . . . . A 5 LEU HD11 . 31055 1 27 . 1 . 1 5 5 LEU HD12 H 1 0.962 0.003 . . . . . . A 5 LEU HD12 . 31055 1 28 . 1 . 1 5 5 LEU HD13 H 1 0.962 0.003 . . . . . . A 5 LEU HD13 . 31055 1 29 . 1 . 1 5 5 LEU HD21 H 1 0.703 0.003 . . . . . . A 5 LEU HD21 . 31055 1 30 . 1 . 1 5 5 LEU HD22 H 1 0.703 0.003 . . . . . . A 5 LEU HD22 . 31055 1 31 . 1 . 1 5 5 LEU HD23 H 1 0.703 0.003 . . . . . . A 5 LEU HD23 . 31055 1 32 . 1 . 1 6 6 ASN H H 1 9.547 0.003 . 1 . . . . A 6 ASN H . 31055 1 33 . 1 . 1 6 6 ASN HA H 1 4.167 0.003 . 1 . . . . A 6 ASN HA . 31055 1 34 . 1 . 1 6 6 ASN HB2 H 1 3.164 0.001 . 2 . . . . A 6 ASN HB2 . 31055 1 35 . 1 . 1 6 6 ASN HB3 H 1 2.925 0.003 . 2 . . . . A 6 ASN HB3 . 31055 1 36 . 1 . 1 6 6 ASN HD21 H 1 7.593 0.002 . 2 . . . . A 6 ASN HD21 . 31055 1 37 . 1 . 1 6 6 ASN HD22 H 1 6.902 0.001 . 2 . . . . A 6 ASN HD22 . 31055 1 38 . 1 . 1 7 7 LYS H H 1 8.044 0.003 . 1 . . . . A 7 LYS H . 31055 1 39 . 1 . 1 7 7 LYS HA H 1 4.554 0.003 . 1 . . . . A 7 LYS HA . 31055 1 40 . 1 . 1 7 7 LYS HB2 H 1 2.036 0.004 . 2 . . . . A 7 LYS HB2 . 31055 1 41 . 1 . 1 7 7 LYS HB3 H 1 1.884 0.002 . 2 . . . . A 7 LYS HB3 . 31055 1 42 . 1 . 1 7 7 LYS HG2 H 1 1.410 0.003 . 2 . . . . A 7 LYS HG2 . 31055 1 43 . 1 . 1 7 7 LYS HG3 H 1 1.410 0.003 . 2 . . . . A 7 LYS HG3 . 31055 1 44 . 1 . 1 7 7 LYS HD2 H 1 1.718 0.004 . 2 . . . . A 7 LYS HD2 . 31055 1 45 . 1 . 1 7 7 LYS HD3 H 1 1.718 0.004 . 2 . . . . A 7 LYS HD3 . 31055 1 46 . 1 . 1 8 8 LYS H H 1 8.621 0.001 . 1 . . . . A 8 LYS H . 31055 1 47 . 1 . 1 8 8 LYS HA H 1 4.423 0.003 . 1 . . . . A 8 LYS HA . 31055 1 48 . 1 . 1 8 8 LYS HB2 H 1 1.726 0.003 . 2 . . . . A 8 LYS HB2 . 31055 1 49 . 1 . 1 8 8 LYS HB3 H 1 1.726 0.003 . 2 . . . . A 8 LYS HB3 . 31055 1 50 . 1 . 1 8 8 LYS HG2 H 1 1.513 0.001 . 2 . . . . A 8 LYS HG2 . 31055 1 51 . 1 . 1 8 8 LYS HG3 H 1 1.251 0.002 . 2 . . . . A 8 LYS HG3 . 31055 1 52 . 1 . 1 9 9 CYS H H 1 7.902 0.002 . 1 . . . . A 9 CYS H . 31055 1 53 . 1 . 1 9 9 CYS HA H 1 4.906 0.002 . 1 . . . . A 9 CYS HA . 31055 1 54 . 1 . 1 9 9 CYS HB2 H 1 3.340 0.003 . 2 . . . . A 9 CYS HB2 . 31055 1 55 . 1 . 1 9 9 CYS HB3 H 1 3.266 0.003 . 2 . . . . A 9 CYS HB3 . 31055 1 56 . 1 . 1 10 10 ASN H H 1 9.307 0.003 . 1 . . . . A 10 ASN H . 31055 1 57 . 1 . 1 10 10 ASN HA H 1 4.722 0.005 . 1 . . . . A 10 ASN HA . 31055 1 58 . 1 . 1 10 10 ASN HB2 H 1 2.692 0.002 . 2 . . . . A 10 ASN HB2 . 31055 1 59 . 1 . 1 10 10 ASN HB3 H 1 2.692 0.002 . 2 . . . . A 10 ASN HB3 . 31055 1 60 . 1 . 1 10 10 ASN HD21 H 1 7.700 0.002 . 2 . . . . A 10 ASN HD21 . 31055 1 61 . 1 . 1 10 10 ASN HD22 H 1 6.851 0.005 . 2 . . . . A 10 ASN HD22 . 31055 1 62 . 1 . 1 11 11 SER H H 1 8.148 0.003 . 1 . . . . A 11 SER H . 31055 1 63 . 1 . 1 11 11 SER HA H 1 4.515 0.003 . 1 . . . . A 11 SER HA . 31055 1 64 . 1 . 1 11 11 SER HB2 H 1 4.103 0.004 . 2 . . . . A 11 SER HB2 . 31055 1 65 . 1 . 1 11 11 SER HB3 H 1 3.901 0.003 . 2 . . . . A 11 SER HB3 . 31055 1 66 . 1 . 1 12 12 ASP H H 1 9.353 0.002 . 1 . . . . A 12 ASP H . 31055 1 67 . 1 . 1 12 12 ASP HA H 1 4.136 0.003 . 1 . . . . A 12 ASP HA . 31055 1 68 . 1 . 1 12 12 ASP HB2 H 1 2.766 0.002 . 2 . . . . A 12 ASP HB2 . 31055 1 69 . 1 . 1 12 12 ASP HB3 H 1 2.929 0.008 . 2 . . . . A 12 ASP HB3 . 31055 1 70 . 1 . 1 13 13 ALA H H 1 8.005 0.002 . 1 . . . . A 13 ALA H . 31055 1 71 . 1 . 1 13 13 ALA HA H 1 4.151 0.005 . 1 . . . . A 13 ALA HA . 31055 1 72 . 1 . 1 13 13 ALA HB1 H 1 1.335 0.003 . . . . . . A 13 ALA HB1 . 31055 1 73 . 1 . 1 13 13 ALA HB2 H 1 1.335 0.003 . . . . . . A 13 ALA HB2 . 31055 1 74 . 1 . 1 13 13 ALA HB3 H 1 1.335 0.003 . . . . . . A 13 ALA HB3 . 31055 1 75 . 1 . 1 14 14 ASP H H 1 7.572 0.003 . 1 . . . . A 14 ASP H . 31055 1 76 . 1 . 1 14 14 ASP HA H 1 4.695 0.001 . 1 . . . . A 14 ASP HA . 31055 1 77 . 1 . 1 14 14 ASP HB2 H 1 2.810 0.002 . 2 . . . . A 14 ASP HB2 . 31055 1 78 . 1 . 1 14 14 ASP HB3 H 1 3.084 0.004 . 2 . . . . A 14 ASP HB3 . 31055 1 79 . 1 . 1 15 15 CYS H H 1 7.730 0.005 . 1 . . . . A 15 CYS H . 31055 1 80 . 1 . 1 15 15 CYS HA H 1 5.045 0.003 . 1 . . . . A 15 CYS HA . 31055 1 81 . 1 . 1 15 15 CYS HB2 H 1 2.591 0.006 . 2 . . . . A 15 CYS HB2 . 31055 1 82 . 1 . 1 15 15 CYS HB3 H 1 3.617 0.002 . 2 . . . . A 15 CYS HB3 . 31055 1 83 . 1 . 1 16 16 CYS H H 1 7.384 0.001 . 1 . . . . A 16 CYS H . 31055 1 84 . 1 . 1 16 16 CYS HA H 1 4.398 0.003 . 1 . . . . A 16 CYS HA . 31055 1 85 . 1 . 1 16 16 CYS HB2 H 1 2.116 0.002 . 2 . . . . A 16 CYS HB2 . 31055 1 86 . 1 . 1 16 16 CYS HB3 H 1 3.531 0.002 . 2 . . . . A 16 CYS HB3 . 31055 1 87 . 1 . 1 17 17 ARG H H 1 8.448 0.001 . 1 . . . . A 17 ARG H . 31055 1 88 . 1 . 1 17 17 ARG HA H 1 3.927 0.004 . 1 . . . . A 17 ARG HA . 31055 1 89 . 1 . 1 17 17 ARG HB2 H 1 1.737 0.005 . 2 . . . . A 17 ARG HB2 . 31055 1 90 . 1 . 1 17 17 ARG HB3 H 1 1.493 0.004 . 2 . . . . A 17 ARG HB3 . 31055 1 91 . 1 . 1 17 17 ARG HG2 H 1 1.268 0.006 . 2 . . . . A 17 ARG HG2 . 31055 1 92 . 1 . 1 17 17 ARG HG3 H 1 1.209 0.007 . 2 . . . . A 17 ARG HG3 . 31055 1 93 . 1 . 1 17 17 ARG HD2 H 1 3.085 0.002 . 2 . . . . A 17 ARG HD2 . 31055 1 94 . 1 . 1 17 17 ARG HD3 H 1 3.024 0.003 . 2 . . . . A 17 ARG HD3 . 31055 1 95 . 1 . 1 18 18 TYR H H 1 8.131 0.004 . 1 . . . . A 18 TYR H . 31055 1 96 . 1 . 1 18 18 TYR HA H 1 4.822 0.006 . 1 . . . . A 18 TYR HA . 31055 1 97 . 1 . 1 18 18 TYR HB2 H 1 3.040 0.005 . 2 . . . . A 18 TYR HB2 . 31055 1 98 . 1 . 1 18 18 TYR HB3 H 1 2.884 0.002 . 2 . . . . A 18 TYR HB3 . 31055 1 99 . 1 . 1 18 18 TYR HD1 H 1 7.174 0.006 . 3 . . . . A 18 TYR HD1 . 31055 1 100 . 1 . 1 18 18 TYR HD2 H 1 7.174 0.006 . 3 . . . . A 18 TYR HD2 . 31055 1 101 . 1 . 1 18 18 TYR HE1 H 1 6.843 0.005 . 3 . . . . A 18 TYR HE1 . 31055 1 102 . 1 . 1 18 18 TYR HE2 H 1 6.843 0.005 . 3 . . . . A 18 TYR HE2 . 31055 1 103 . 1 . 1 19 19 GLY H H 1 8.666 0.001 . 1 . . . . A 19 GLY H . 31055 1 104 . 1 . 1 19 19 GLY HA2 H 1 4.090 0.003 . 2 . . . . A 19 GLY HA2 . 31055 1 105 . 1 . 1 19 19 GLY HA3 H 1 3.789 0.003 . 2 . . . . A 19 GLY HA3 . 31055 1 106 . 1 . 1 20 20 GLU H H 1 7.322 0.003 . 1 . . . . A 20 GLU H . 31055 1 107 . 1 . 1 20 20 GLU HA H 1 5.357 0.002 . 1 . . . . A 20 GLU HA . 31055 1 108 . 1 . 1 20 20 GLU HB2 H 1 1.990 0.005 . 2 . . . . A 20 GLU HB2 . 31055 1 109 . 1 . 1 20 20 GLU HB3 H 1 1.779 0.005 . 2 . . . . A 20 GLU HB3 . 31055 1 110 . 1 . 1 20 20 GLU HG2 H 1 2.309 0.004 . 2 . . . . A 20 GLU HG2 . 31055 1 111 . 1 . 1 20 20 GLU HG3 H 1 2.226 0.002 . 2 . . . . A 20 GLU HG3 . 31055 1 112 . 1 . 1 21 21 ARG H H 1 8.973 0.002 . 1 . . . . A 21 ARG H . 31055 1 113 . 1 . 1 21 21 ARG HA H 1 4.464 0.003 . 1 . . . . A 21 ARG HA . 31055 1 114 . 1 . 1 21 21 ARG HB2 H 1 1.857 0.004 . 2 . . . . A 21 ARG HB2 . 31055 1 115 . 1 . 1 21 21 ARG HB3 H 1 1.633 0.002 . 2 . . . . A 21 ARG HB3 . 31055 1 116 . 1 . 1 21 21 ARG HG2 H 1 1.516 0.007 . 2 . . . . A 21 ARG HG2 . 31055 1 117 . 1 . 1 21 21 ARG HG3 H 1 1.516 0.007 . 2 . . . . A 21 ARG HG3 . 31055 1 118 . 1 . 1 21 21 ARG HD2 H 1 3.192 0.002 . 2 . . . . A 21 ARG HD2 . 31055 1 119 . 1 . 1 21 21 ARG HD3 H 1 3.192 0.002 . 2 . . . . A 21 ARG HD3 . 31055 1 120 . 1 . 1 22 22 CYS H H 1 8.864 0.001 . 1 . . . . A 22 CYS H . 31055 1 121 . 1 . 1 22 22 CYS HA H 1 4.975 0.010 . 1 . . . . A 22 CYS HA . 31055 1 122 . 1 . 1 22 22 CYS HB2 H 1 2.887 0.004 . 2 . . . . A 22 CYS HB2 . 31055 1 123 . 1 . 1 22 22 CYS HB3 H 1 2.795 0.004 . 2 . . . . A 22 CYS HB3 . 31055 1 124 . 1 . 1 23 23 ILE H H 1 8.829 0.002 . 1 . . . . A 23 ILE H . 31055 1 125 . 1 . 1 23 23 ILE HA H 1 4.754 0.002 . 1 . . . . A 23 ILE HA . 31055 1 126 . 1 . 1 23 23 ILE HB H 1 1.833 0.001 . 1 . . . . A 23 ILE HB . 31055 1 127 . 1 . 1 23 23 ILE HG12 H 1 1.400 0.002 . 2 . . . . A 23 ILE HG12 . 31055 1 128 . 1 . 1 23 23 ILE HG13 H 1 1.066 0.001 . 2 . . . . A 23 ILE HG13 . 31055 1 129 . 1 . 1 23 23 ILE HG21 H 1 0.893 0.007 . . . . . . A 23 ILE HG21 . 31055 1 130 . 1 . 1 23 23 ILE HG22 H 1 0.893 0.007 . . . . . . A 23 ILE HG22 . 31055 1 131 . 1 . 1 23 23 ILE HG23 H 1 0.893 0.007 . . . . . . A 23 ILE HG23 . 31055 1 132 . 1 . 1 23 23 ILE HD11 H 1 0.792 0.003 . . . . . . A 23 ILE HD11 . 31055 1 133 . 1 . 1 23 23 ILE HD12 H 1 0.792 0.003 . . . . . . A 23 ILE HD12 . 31055 1 134 . 1 . 1 23 23 ILE HD13 H 1 0.792 0.003 . . . . . . A 23 ILE HD13 . 31055 1 135 . 1 . 1 24 24 SER H H 1 8.392 0.002 . 1 . . . . A 24 SER H . 31055 1 136 . 1 . 1 24 24 SER HA H 1 4.192 0.008 . 1 . . . . A 24 SER HA . 31055 1 137 . 1 . 1 24 24 SER HB2 H 1 3.200 0.004 . 2 . . . . A 24 SER HB2 . 31055 1 138 . 1 . 1 24 24 SER HB3 H 1 2.899 0.003 . 2 . . . . A 24 SER HB3 . 31055 1 139 . 1 . 1 25 25 THR H H 1 8.639 0.002 . 1 . . . . A 25 THR H . 31055 1 140 . 1 . 1 25 25 THR HA H 1 4.591 0.001 . 1 . . . . A 25 THR HA . 31055 1 141 . 1 . 1 25 25 THR HB H 1 4.556 0.000 . 1 . . . . A 25 THR HB . 31055 1 142 . 1 . 1 25 25 THR HG21 H 1 1.255 0.002 . . . . . . A 25 THR HG21 . 31055 1 143 . 1 . 1 25 25 THR HG22 H 1 1.255 0.002 . . . . . . A 25 THR HG22 . 31055 1 144 . 1 . 1 25 25 THR HG23 H 1 1.255 0.002 . . . . . . A 25 THR HG23 . 31055 1 145 . 1 . 1 26 26 GLY H H 1 8.406 0.002 . 1 . . . . A 26 GLY H . 31055 1 146 . 1 . 1 26 26 GLY HA2 H 1 4.480 0.001 . 2 . . . . A 26 GLY HA2 . 31055 1 147 . 1 . 1 26 26 GLY HA3 H 1 3.463 0.002 . 2 . . . . A 26 GLY HA3 . 31055 1 148 . 1 . 1 27 27 VAL H H 1 8.391 0.001 . 1 . . . . A 27 VAL H . 31055 1 149 . 1 . 1 27 27 VAL HA H 1 4.172 0.006 . 1 . . . . A 27 VAL HA . 31055 1 150 . 1 . 1 27 27 VAL HB H 1 2.113 0.006 . 1 . . . . A 27 VAL HB . 31055 1 151 . 1 . 1 27 27 VAL HG11 H 1 0.950 0.002 . . . . . . A 27 VAL HG11 . 31055 1 152 . 1 . 1 27 27 VAL HG12 H 1 0.950 0.002 . . . . . . A 27 VAL HG12 . 31055 1 153 . 1 . 1 27 27 VAL HG13 H 1 0.950 0.002 . . . . . . A 27 VAL HG13 . 31055 1 154 . 1 . 1 27 27 VAL HG21 H 1 0.917 0.006 . . . . . . A 27 VAL HG21 . 31055 1 155 . 1 . 1 27 27 VAL HG22 H 1 0.917 0.006 . . . . . . A 27 VAL HG22 . 31055 1 156 . 1 . 1 27 27 VAL HG23 H 1 0.917 0.006 . . . . . . A 27 VAL HG23 . 31055 1 157 . 1 . 1 28 28 ASN H H 1 8.129 0.003 . 1 . . . . A 28 ASN H . 31055 1 158 . 1 . 1 28 28 ASN HA H 1 4.998 0.003 . 1 . . . . A 28 ASN HA . 31055 1 159 . 1 . 1 28 28 ASN HB2 H 1 2.585 0.004 . 2 . . . . A 28 ASN HB2 . 31055 1 160 . 1 . 1 28 28 ASN HB3 H 1 2.464 0.005 . 2 . . . . A 28 ASN HB3 . 31055 1 161 . 1 . 1 28 28 ASN HD21 H 1 7.583 0.003 . 2 . . . . A 28 ASN HD21 . 31055 1 162 . 1 . 1 28 28 ASN HD22 H 1 7.113 0.002 . 2 . . . . A 28 ASN HD22 . 31055 1 163 . 1 . 1 29 29 TYR H H 1 8.369 0.001 . 1 . . . . A 29 TYR H . 31055 1 164 . 1 . 1 29 29 TYR HA H 1 4.895 0.004 . 1 . . . . A 29 TYR HA . 31055 1 165 . 1 . 1 29 29 TYR HB2 H 1 3.092 0.005 . 2 . . . . A 29 TYR HB2 . 31055 1 166 . 1 . 1 29 29 TYR HB3 H 1 2.774 0.006 . 2 . . . . A 29 TYR HB3 . 31055 1 167 . 1 . 1 29 29 TYR HD1 H 1 6.960 0.003 . 3 . . . . A 29 TYR HD1 . 31055 1 168 . 1 . 1 29 29 TYR HD2 H 1 6.960 0.003 . 3 . . . . A 29 TYR HD2 . 31055 1 169 . 1 . 1 29 29 TYR HE1 H 1 6.805 0.002 . 3 . . . . A 29 TYR HE1 . 31055 1 170 . 1 . 1 29 29 TYR HE2 H 1 6.805 0.002 . 3 . . . . A 29 TYR HE2 . 31055 1 171 . 1 . 1 30 30 TYR H H 1 8.659 0.002 . 1 . . . . A 30 TYR H . 31055 1 172 . 1 . 1 30 30 TYR HA H 1 5.283 0.001 . 1 . . . . A 30 TYR HA . 31055 1 173 . 1 . 1 30 30 TYR HB2 H 1 2.405 0.004 . 2 . . . . A 30 TYR HB2 . 31055 1 174 . 1 . 1 30 30 TYR HB3 H 1 2.735 0.007 . 2 . . . . A 30 TYR HB3 . 31055 1 175 . 1 . 1 30 30 TYR HD1 H 1 6.932 0.004 . 3 . . . . A 30 TYR HD1 . 31055 1 176 . 1 . 1 30 30 TYR HD2 H 1 6.932 0.004 . 3 . . . . A 30 TYR HD2 . 31055 1 177 . 1 . 1 30 30 TYR HE1 H 1 6.677 0.002 . 3 . . . . A 30 TYR HE1 . 31055 1 178 . 1 . 1 30 30 TYR HE2 H 1 6.677 0.002 . 3 . . . . A 30 TYR HE2 . 31055 1 179 . 1 . 1 31 31 CYS H H 1 8.825 0.002 . 1 . . . . A 31 CYS H . 31055 1 180 . 1 . 1 31 31 CYS HA H 1 5.101 0.001 . 1 . . . . A 31 CYS HA . 31055 1 181 . 1 . 1 31 31 CYS HB2 H 1 3.482 0.002 . 2 . . . . A 31 CYS HB2 . 31055 1 182 . 1 . 1 31 31 CYS HB3 H 1 2.639 0.004 . 2 . . . . A 31 CYS HB3 . 31055 1 183 . 1 . 1 32 32 ARG H H 1 9.457 0.002 . 1 . . . . A 32 ARG H . 31055 1 184 . 1 . 1 32 32 ARG HA H 1 4.949 0.002 . 1 . . . . A 32 ARG HA . 31055 1 185 . 1 . 1 32 32 ARG HB2 H 1 1.576 0.004 . 2 . . . . A 32 ARG HB2 . 31055 1 186 . 1 . 1 32 32 ARG HB3 H 1 1.807 0.005 . 2 . . . . A 32 ARG HB3 . 31055 1 187 . 1 . 1 32 32 ARG HG2 H 1 2.111 0.002 . 2 . . . . A 32 ARG HG2 . 31055 1 188 . 1 . 1 32 32 ARG HG3 H 1 1.702 0.004 . 2 . . . . A 32 ARG HG3 . 31055 1 189 . 1 . 1 32 32 ARG HD2 H 1 3.392 0.005 . 2 . . . . A 32 ARG HD2 . 31055 1 190 . 1 . 1 32 32 ARG HD3 H 1 3.272 0.001 . 2 . . . . A 32 ARG HD3 . 31055 1 191 . 1 . 1 33 33 PRO HA H 1 4.766 0.002 . 1 . . . . A 33 PRO HA . 31055 1 192 . 1 . 1 33 33 PRO HB2 H 1 2.463 0.002 . 2 . . . . A 33 PRO HB2 . 31055 1 193 . 1 . 1 33 33 PRO HB3 H 1 1.920 0.005 . 2 . . . . A 33 PRO HB3 . 31055 1 194 . 1 . 1 33 33 PRO HG2 H 1 2.170 0.004 . 2 . . . . A 33 PRO HG2 . 31055 1 195 . 1 . 1 33 33 PRO HG3 H 1 2.043 0.005 . 2 . . . . A 33 PRO HG3 . 31055 1 196 . 1 . 1 33 33 PRO HD2 H 1 3.714 0.004 . 2 . . . . A 33 PRO HD2 . 31055 1 197 . 1 . 1 33 33 PRO HD3 H 1 3.612 0.002 . 2 . . . . A 33 PRO HD3 . 31055 1 198 . 1 . 1 34 34 ASP H H 1 7.800 0.004 . 1 . . . . A 34 ASP H . 31055 1 199 . 1 . 1 34 34 ASP HA H 1 4.558 0.002 . 1 . . . . A 34 ASP HA . 31055 1 200 . 1 . 1 34 34 ASP HB2 H 1 2.575 0.006 . 2 . . . . A 34 ASP HB2 . 31055 1 201 . 1 . 1 34 34 ASP HB3 H 1 2.514 0.005 . 2 . . . . A 34 ASP HB3 . 31055 1 202 . 1 . 1 35 35 VAL H H 1 8.069 0.006 . 1 . . . . A 35 VAL H . 31055 1 203 . 1 . 1 35 35 VAL HA H 1 4.234 0.004 . 1 . . . . A 35 VAL HA . 31055 1 204 . 1 . 1 35 35 VAL HB H 1 2.120 0.003 . 1 . . . . A 35 VAL HB . 31055 1 205 . 1 . 1 35 35 VAL HG11 H 1 0.943 0.006 . . . . . . A 35 VAL HG11 . 31055 1 206 . 1 . 1 35 35 VAL HG12 H 1 0.943 0.006 . . . . . . A 35 VAL HG12 . 31055 1 207 . 1 . 1 35 35 VAL HG13 H 1 0.943 0.006 . . . . . . A 35 VAL HG13 . 31055 1 208 . 1 . 1 35 35 VAL HG21 H 1 0.923 0.000 . . . . . . A 35 VAL HG21 . 31055 1 209 . 1 . 1 35 35 VAL HG22 H 1 0.923 0.000 . . . . . . A 35 VAL HG22 . 31055 1 210 . 1 . 1 35 35 VAL HG23 H 1 0.923 0.000 . . . . . . A 35 VAL HG23 . 31055 1 211 . 1 . 1 36 36 GLY H H 1 8.332 0.001 . 1 . . . . A 36 GLY H . 31055 1 212 . 1 . 1 36 36 GLY HA2 H 1 4.114 0.002 . 2 . . . . A 36 GLY HA2 . 31055 1 213 . 1 . 1 36 36 GLY HA3 H 1 4.114 0.002 . 2 . . . . A 36 GLY HA3 . 31055 1 214 . 1 . 1 37 37 PRO HA H 1 4.406 0.003 . 1 . . . . A 37 PRO HA . 31055 1 215 . 1 . 1 37 37 PRO HB2 H 1 2.281 0.000 . 2 . . . . A 37 PRO HB2 . 31055 1 216 . 1 . 1 37 37 PRO HB3 H 1 2.007 0.000 . 2 . . . . A 37 PRO HB3 . 31055 1 217 . 1 . 1 37 37 PRO HD2 H 1 3.616 0.000 . 2 . . . . A 37 PRO HD2 . 31055 1 218 . 1 . 1 37 37 PRO HD3 H 1 3.664 0.000 . 2 . . . . A 37 PRO HD3 . 31055 1 stop_ save_