################################### # 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 25609 _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 . _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' 1 $sample_1 isotropic 25609 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 25609 1 3 '2D 1H-15N HSQC' 1 $sample_1 isotropic 25609 1 4 '2D 1H-13C HSQC' 2 $sample_2 isotropic 25609 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 GLN HA H 1 4.395 0.001 . . . . . A 1 GLN HA . 25609 1 2 . 1 1 1 1 GLN HB2 H 1 2.084 0.004 . . . . . A 1 GLN HB2 . 25609 1 3 . 1 1 1 1 GLN HB3 H 1 2.084 0.004 . . . . . A 1 GLN HB3 . 25609 1 4 . 1 1 1 1 GLN HG2 H 1 2.402 0.014 . . . . . A 1 GLN HG2 . 25609 1 5 . 1 1 1 1 GLN HG3 H 1 2.577 0.007 . . . . . A 1 GLN HG3 . 25609 1 6 . 1 1 1 1 GLN HE21 H 1 6.797 0.002 . . . . . A 1 GLN HE21 . 25609 1 7 . 1 1 1 1 GLN HE22 H 1 7.333 0.015 . . . . . A 1 GLN HE22 . 25609 1 8 . 1 1 1 1 GLN CB C 13 28.205 0.000 . . . . . A 1 GLN CB . 25609 1 9 . 1 1 1 1 GLN NE2 N 15 110.524 0.029 . . . . . A 1 GLN NE2 . 25609 1 10 . 1 1 2 2 LYS H H 1 8.379 0.002 . . . . . A 2 LYS H . 25609 1 11 . 1 1 2 2 LYS HA H 1 4.314 0.004 . . . . . A 2 LYS HA . 25609 1 12 . 1 1 2 2 LYS HB2 H 1 1.775 0.006 . . . . . A 2 LYS HB2 . 25609 1 13 . 1 1 2 2 LYS HB3 H 1 1.865 0.004 . . . . . A 2 LYS HB3 . 25609 1 14 . 1 1 2 2 LYS HG2 H 1 1.463 0.006 . . . . . A 2 LYS HG2 . 25609 1 15 . 1 1 2 2 LYS HG3 H 1 1.466 0.006 . . . . . A 2 LYS HG3 . 25609 1 16 . 1 1 2 2 LYS HD2 H 1 1.710 0.008 . . . . . A 2 LYS HD2 . 25609 1 17 . 1 1 2 2 LYS HD3 H 1 1.718 0.003 . . . . . A 2 LYS HD3 . 25609 1 18 . 1 1 2 2 LYS HE2 H 1 3.011 0.001 . . . . . A 2 LYS HE2 . 25609 1 19 . 1 1 2 2 LYS HE3 H 1 3.015 0.008 . . . . . A 2 LYS HE3 . 25609 1 20 . 1 1 2 2 LYS HZ1 H 1 7.546 0.000 . . . . . A 2 LYS HZ1 . 25609 1 21 . 1 1 2 2 LYS HZ2 H 1 7.546 0.000 . . . . . A 2 LYS HZ2 . 25609 1 22 . 1 1 2 2 LYS HZ3 H 1 7.546 0.000 . . . . . A 2 LYS HZ3 . 25609 1 23 . 1 1 2 2 LYS CA C 13 56.952 0.000 . . . . . A 2 LYS CA . 25609 1 24 . 1 1 2 2 LYS CB C 13 33.500 0.010 . . . . . A 2 LYS CB . 25609 1 25 . 1 1 2 2 LYS CG C 13 25.192 0.000 . . . . . A 2 LYS CG . 25609 1 26 . 1 1 2 2 LYS CD C 13 29.240 0.008 . . . . . A 2 LYS CD . 25609 1 27 . 1 1 2 2 LYS CE C 13 41.951 0.000 . . . . . A 2 LYS CE . 25609 1 28 . 1 1 2 2 LYS N N 15 122.386 0.000 . . . . . A 2 LYS N . 25609 1 29 . 1 1 3 3 LEU H H 1 8.403 0.002 . . . . . A 3 LEU H . 25609 1 30 . 1 1 3 3 LEU HA H 1 5.120 0.005 . . . . . A 3 LEU HA . 25609 1 31 . 1 1 3 3 LEU HB2 H 1 1.351 0.003 . . . . . A 3 LEU HB2 . 25609 1 32 . 1 1 3 3 LEU HB3 H 1 1.839 0.006 . . . . . A 3 LEU HB3 . 25609 1 33 . 1 1 3 3 LEU HG H 1 1.689 0.005 . . . . . A 3 LEU HG . 25609 1 34 . 1 1 3 3 LEU HD11 H 1 0.744 0.004 . . . . . A 3 LEU HD11 . 25609 1 35 . 1 1 3 3 LEU HD12 H 1 0.744 0.004 . . . . . A 3 LEU HD12 . 25609 1 36 . 1 1 3 3 LEU HD13 H 1 0.744 0.004 . . . . . A 3 LEU HD13 . 25609 1 37 . 1 1 3 3 LEU HD21 H 1 0.679 0.003 . . . . . A 3 LEU HD21 . 25609 1 38 . 1 1 3 3 LEU HD22 H 1 0.679 0.003 . . . . . A 3 LEU HD22 . 25609 1 39 . 1 1 3 3 LEU HD23 H 1 0.679 0.003 . . . . . A 3 LEU HD23 . 25609 1 40 . 1 1 3 3 LEU CA C 13 53.631 0.000 . . . . . A 3 LEU CA . 25609 1 41 . 1 1 3 3 LEU CB C 13 45.097 0.030 . . . . . A 3 LEU CB . 25609 1 42 . 1 1 3 3 LEU CG C 13 26.886 0.000 . . . . . A 3 LEU CG . 25609 1 43 . 1 1 3 3 LEU CD1 C 13 25.724 0.000 . . . . . A 3 LEU CD1 . 25609 1 44 . 1 1 3 3 LEU CD2 C 13 23.172 0.000 . . . . . A 3 LEU CD2 . 25609 1 45 . 1 1 3 3 LEU N N 15 122.769 0.000 . . . . . A 3 LEU N . 25609 1 46 . 1 1 4 4 CYS H H 1 9.758 0.002 . . . . . A 4 CYS H . 25609 1 47 . 1 1 4 4 CYS HA H 1 5.091 0.006 . . . . . A 4 CYS HA . 25609 1 48 . 1 1 4 4 CYS HB2 H 1 2.974 0.006 . . . . . A 4 CYS HB2 . 25609 1 49 . 1 1 4 4 CYS HB3 H 1 2.974 0.006 . . . . . A 4 CYS HB3 . 25609 1 50 . 1 1 4 4 CYS CA C 13 59.422 0.000 . . . . . A 4 CYS CA . 25609 1 51 . 1 1 4 4 CYS CB C 13 39.243 0.000 . . . . . A 4 CYS CB . 25609 1 52 . 1 1 4 4 CYS N N 15 122.530 0.000 . . . . . A 4 CYS N . 25609 1 53 . 1 1 5 5 GLN H H 1 8.714 0.003 . . . . . A 5 GLN H . 25609 1 54 . 1 1 5 5 GLN HA H 1 4.662 0.008 . . . . . A 5 GLN HA . 25609 1 55 . 1 1 5 5 GLN HB2 H 1 1.621 0.002 . . . . . A 5 GLN HB2 . 25609 1 56 . 1 1 5 5 GLN HB3 H 1 1.621 0.003 . . . . . A 5 GLN HB3 . 25609 1 57 . 1 1 5 5 GLN HG2 H 1 2.009 0.000 . . . . . A 5 GLN HG2 . 25609 1 58 . 1 1 5 5 GLN HG3 H 1 2.009 0.000 . . . . . A 5 GLN HG3 . 25609 1 59 . 1 1 5 5 GLN HE21 H 1 6.759 0.013 . . . . . A 5 GLN HE21 . 25609 1 60 . 1 1 5 5 GLN HE22 H 1 7.320 0.001 . . . . . A 5 GLN HE22 . 25609 1 61 . 1 1 5 5 GLN CA C 13 54.656 0.000 . . . . . A 5 GLN CA . 25609 1 62 . 1 1 5 5 GLN N N 15 121.642 0.000 . . . . . A 5 GLN N . 25609 1 63 . 1 1 5 5 GLN NE2 N 15 111.114 0.024 . . . . . A 5 GLN NE2 . 25609 1 64 . 1 1 6 6 ARG H H 1 9.116 0.002 . . . . . A 6 ARG H . 25609 1 65 . 1 1 6 6 ARG HA H 1 4.825 0.006 . . . . . A 6 ARG HA . 25609 1 66 . 1 1 6 6 ARG HB2 H 1 1.747 0.013 . . . . . A 6 ARG HB2 . 25609 1 67 . 1 1 6 6 ARG HB3 H 1 1.910 0.007 . . . . . A 6 ARG HB3 . 25609 1 68 . 1 1 6 6 ARG HG2 H 1 1.575 0.009 . . . . . A 6 ARG HG2 . 25609 1 69 . 1 1 6 6 ARG HG3 H 1 1.689 0.004 . . . . . A 6 ARG HG3 . 25609 1 70 . 1 1 6 6 ARG HD2 H 1 2.914 0.006 . . . . . A 6 ARG HD2 . 25609 1 71 . 1 1 6 6 ARG HD3 H 1 3.043 0.008 . . . . . A 6 ARG HD3 . 25609 1 72 . 1 1 6 6 ARG HE H 1 7.019 0.001 . . . . . A 6 ARG HE . 25609 1 73 . 1 1 6 6 ARG CA C 13 56.137 0.000 . . . . . A 6 ARG CA . 25609 1 74 . 1 1 6 6 ARG CB C 13 29.799 0.000 . . . . . A 6 ARG CB . 25609 1 75 . 1 1 6 6 ARG CG C 13 27.111 0.000 . . . . . A 6 ARG CG . 25609 1 76 . 1 1 6 6 ARG CD C 13 43.575 0.014 . . . . . A 6 ARG CD . 25609 1 77 . 1 1 6 6 ARG N N 15 123.745 0.000 . . . . . A 6 ARG N . 25609 1 78 . 1 1 7 7 PRO HA H 1 4.489 0.006 . . . . . A 7 PRO HA . 25609 1 79 . 1 1 7 7 PRO HB2 H 1 2.314 0.002 . . . . . A 7 PRO HB2 . 25609 1 80 . 1 1 7 7 PRO HB3 H 1 1.922 0.007 . . . . . A 7 PRO HB3 . 25609 1 81 . 1 1 7 7 PRO HG2 H 1 1.919 0.004 . . . . . A 7 PRO HG2 . 25609 1 82 . 1 1 7 7 PRO HG3 H 1 2.153 0.010 . . . . . A 7 PRO HG3 . 25609 1 83 . 1 1 7 7 PRO HD2 H 1 3.637 0.002 . . . . . A 7 PRO HD2 . 25609 1 84 . 1 1 7 7 PRO HD3 H 1 3.850 0.004 . . . . . A 7 PRO HD3 . 25609 1 85 . 1 1 7 7 PRO CA C 13 63.361 0.000 . . . . . A 7 PRO CA . 25609 1 86 . 1 1 7 7 PRO CB C 13 31.991 0.002 . . . . . A 7 PRO CB . 25609 1 87 . 1 1 7 7 PRO CG C 13 27.888 0.005 . . . . . A 7 PRO CG . 25609 1 88 . 1 1 7 7 PRO CD C 13 50.593 0.005 . . . . . A 7 PRO CD . 25609 1 89 . 1 1 8 8 SER H H 1 8.637 0.001 . . . . . A 8 SER H . 25609 1 90 . 1 1 8 8 SER HA H 1 4.733 0.018 . . . . . A 8 SER HA . 25609 1 91 . 1 1 8 8 SER HB2 H 1 3.709 0.010 . . . . . A 8 SER HB2 . 25609 1 92 . 1 1 8 8 SER HB3 H 1 4.109 0.007 . . . . . A 8 SER HB3 . 25609 1 93 . 1 1 8 8 SER CA C 13 58.474 0.000 . . . . . A 8 SER CA . 25609 1 94 . 1 1 8 8 SER CB C 13 64.045 0.032 . . . . . A 8 SER CB . 25609 1 95 . 1 1 8 8 SER N N 15 117.681 0.000 . . . . . A 8 SER N . 25609 1 96 . 1 1 9 9 GLY H H 1 10.637 0.002 . . . . . A 9 GLY H . 25609 1 97 . 1 1 9 9 GLY HA2 H 1 3.912 0.006 . . . . . A 9 GLY HA2 . 25609 1 98 . 1 1 9 9 GLY HA3 H 1 4.404 0.007 . . . . . A 9 GLY HA3 . 25609 1 99 . 1 1 9 9 GLY CA C 13 45.348 0.000 . . . . . A 9 GLY CA . 25609 1 100 . 1 1 9 9 GLY N N 15 119.674 0.000 . . . . . A 9 GLY N . 25609 1 101 . 1 1 10 10 THR H H 1 8.190 0.002 . . . . . A 10 THR H . 25609 1 102 . 1 1 10 10 THR HA H 1 4.504 0.006 . . . . . A 10 THR HA . 25609 1 103 . 1 1 10 10 THR HB H 1 4.160 0.004 . . . . . A 10 THR HB . 25609 1 104 . 1 1 10 10 THR HG21 H 1 1.139 0.004 . . . . . A 10 THR HG21 . 25609 1 105 . 1 1 10 10 THR HG22 H 1 1.139 0.004 . . . . . A 10 THR HG22 . 25609 1 106 . 1 1 10 10 THR HG23 H 1 1.139 0.004 . . . . . A 10 THR HG23 . 25609 1 107 . 1 1 10 10 THR CA C 13 62.142 0.000 . . . . . A 10 THR CA . 25609 1 108 . 1 1 10 10 THR CB C 13 70.491 0.000 . . . . . A 10 THR CB . 25609 1 109 . 1 1 11 11 TRP H H 1 8.144 0.002 . . . . . A 11 TRP H . 25609 1 110 . 1 1 11 11 TRP HA H 1 4.127 0.008 . . . . . A 11 TRP HA . 25609 1 111 . 1 1 11 11 TRP HB2 H 1 3.110 0.006 . . . . . A 11 TRP HB2 . 25609 1 112 . 1 1 11 11 TRP HB3 H 1 3.254 0.006 . . . . . A 11 TRP HB3 . 25609 1 113 . 1 1 11 11 TRP HD1 H 1 7.101 0.003 . . . . . A 11 TRP HD1 . 25609 1 114 . 1 1 11 11 TRP HE1 H 1 8.585 0.000 . . . . . A 11 TRP HE1 . 25609 1 115 . 1 1 11 11 TRP HE3 H 1 7.358 0.006 . . . . . A 11 TRP HE3 . 25609 1 116 . 1 1 11 11 TRP HZ2 H 1 7.822 0.007 . . . . . A 11 TRP HZ2 . 25609 1 117 . 1 1 11 11 TRP HZ3 H 1 6.801 0.005 . . . . . A 11 TRP HZ3 . 25609 1 118 . 1 1 11 11 TRP HH2 H 1 7.245 0.004 . . . . . A 11 TRP HH2 . 25609 1 119 . 1 1 11 11 TRP CB C 13 29.039 0.004 . . . . . A 11 TRP CB . 25609 1 120 . 1 1 11 11 TRP CD1 C 13 128.515 0.000 . . . . . A 11 TRP CD1 . 25609 1 121 . 1 1 11 11 TRP CE3 C 13 120.465 0.000 . . . . . A 11 TRP CE3 . 25609 1 122 . 1 1 11 11 TRP CZ2 C 13 114.480 0.000 . . . . . A 11 TRP CZ2 . 25609 1 123 . 1 1 11 11 TRP CZ3 C 13 121.066 0.000 . . . . . A 11 TRP CZ3 . 25609 1 124 . 1 1 11 11 TRP CH2 C 13 124.267 0.000 . . . . . A 11 TRP CH2 . 25609 1 125 . 1 1 11 11 TRP N N 15 125.661 0.000 . . . . . A 11 TRP N . 25609 1 126 . 1 1 11 11 TRP NE1 N 15 127.247 0.000 . . . . . A 11 TRP NE1 . 25609 1 127 . 1 1 12 12 SER H H 1 7.386 0.002 . . . . . A 12 SER H . 25609 1 128 . 1 1 12 12 SER HA H 1 4.636 0.005 . . . . . A 12 SER HA . 25609 1 129 . 1 1 12 12 SER HB2 H 1 3.563 0.006 . . . . . A 12 SER HB2 . 25609 1 130 . 1 1 12 12 SER HB3 H 1 3.565 0.004 . . . . . A 12 SER HB3 . 25609 1 131 . 1 1 12 12 SER CA C 13 56.816 0.000 . . . . . A 12 SER CA . 25609 1 132 . 1 1 12 12 SER CB C 13 64.554 0.000 . . . . . A 12 SER CB . 25609 1 133 . 1 1 12 12 SER N N 15 123.085 0.000 . . . . . A 12 SER N . 25609 1 134 . 1 1 13 13 GLY H H 1 8.411 0.001 . . . . . A 13 GLY H . 25609 1 135 . 1 1 13 13 GLY HA2 H 1 3.887 0.007 . . . . . A 13 GLY HA2 . 25609 1 136 . 1 1 13 13 GLY HA3 H 1 4.176 0.005 . . . . . A 13 GLY HA3 . 25609 1 137 . 1 1 13 13 GLY CA C 13 44.070 0.048 . . . . . A 13 GLY CA . 25609 1 138 . 1 1 13 13 GLY N N 15 111.229 0.000 . . . . . A 13 GLY N . 25609 1 139 . 1 1 14 14 VAL H H 1 8.560 0.004 . . . . . A 14 VAL H . 25609 1 140 . 1 1 14 14 VAL HA H 1 4.048 0.002 . . . . . A 14 VAL HA . 25609 1 141 . 1 1 14 14 VAL HB H 1 2.146 0.005 . . . . . A 14 VAL HB . 25609 1 142 . 1 1 14 14 VAL HG11 H 1 1.089 0.004 . . . . . A 14 VAL HG11 . 25609 1 143 . 1 1 14 14 VAL HG12 H 1 1.089 0.004 . . . . . A 14 VAL HG12 . 25609 1 144 . 1 1 14 14 VAL HG13 H 1 1.089 0.004 . . . . . A 14 VAL HG13 . 25609 1 145 . 1 1 14 14 VAL HG21 H 1 0.978 0.004 . . . . . A 14 VAL HG21 . 25609 1 146 . 1 1 14 14 VAL HG22 H 1 0.978 0.004 . . . . . A 14 VAL HG22 . 25609 1 147 . 1 1 14 14 VAL HG23 H 1 0.978 0.004 . . . . . A 14 VAL HG23 . 25609 1 148 . 1 1 14 14 VAL CA C 13 63.488 0.000 . . . . . A 14 VAL CA . 25609 1 149 . 1 1 14 14 VAL CB C 13 32.699 0.000 . . . . . A 14 VAL CB . 25609 1 150 . 1 1 14 14 VAL CG1 C 13 21.529 0.000 . . . . . A 14 VAL CG1 . 25609 1 151 . 1 1 14 14 VAL CG2 C 13 20.897 0.000 . . . . . A 14 VAL CG2 . 25609 1 152 . 1 1 14 14 VAL N N 15 119.990 0.000 . . . . . A 14 VAL N . 25609 1 153 . 1 1 15 15 CYS H H 1 8.245 0.002 . . . . . A 15 CYS H . 25609 1 154 . 1 1 15 15 CYS HA H 1 4.929 0.005 . . . . . A 15 CYS HA . 25609 1 155 . 1 1 15 15 CYS HB2 H 1 2.913 0.007 . . . . . A 15 CYS HB2 . 25609 1 156 . 1 1 15 15 CYS HB3 H 1 1.868 0.005 . . . . . A 15 CYS HB3 . 25609 1 157 . 1 1 15 15 CYS CA C 13 56.967 0.000 . . . . . A 15 CYS CA . 25609 1 158 . 1 1 15 15 CYS N N 15 127.964 0.000 . . . . . A 15 CYS N . 25609 1 159 . 1 1 16 16 GLY H H 1 8.626 0.004 . . . . . A 16 GLY H . 25609 1 160 . 1 1 16 16 GLY HA2 H 1 3.705 0.012 . . . . . A 16 GLY HA2 . 25609 1 161 . 1 1 16 16 GLY HA3 H 1 4.404 0.007 . . . . . A 16 GLY HA3 . 25609 1 162 . 1 1 16 16 GLY CA C 13 44.758 0.002 . . . . . A 16 GLY CA . 25609 1 163 . 1 1 16 16 GLY N N 15 114.247 0.000 . . . . . A 16 GLY N . 25609 1 164 . 1 1 17 17 ASN H H 1 7.334 0.003 . . . . . A 17 ASN H . 25609 1 165 . 1 1 17 17 ASN HA H 1 4.867 0.006 . . . . . A 17 ASN HA . 25609 1 166 . 1 1 17 17 ASN HB2 H 1 2.818 0.007 . . . . . A 17 ASN HB2 . 25609 1 167 . 1 1 17 17 ASN HB3 H 1 3.035 0.006 . . . . . A 17 ASN HB3 . 25609 1 168 . 1 1 17 17 ASN HD21 H 1 7.111 0.002 . . . . . A 17 ASN HD21 . 25609 1 169 . 1 1 17 17 ASN HD22 H 1 7.893 0.001 . . . . . A 17 ASN HD22 . 25609 1 170 . 1 1 17 17 ASN CA C 13 52.370 0.000 . . . . . A 17 ASN CA . 25609 1 171 . 1 1 17 17 ASN N N 15 118.551 0.000 . . . . . A 17 ASN N . 25609 1 172 . 1 1 17 17 ASN ND2 N 15 113.214 0.000 . . . . . A 17 ASN ND2 . 25609 1 173 . 1 1 18 18 ASN H H 1 9.004 0.001 . . . . . A 18 ASN H . 25609 1 174 . 1 1 18 18 ASN HA H 1 4.246 0.003 . . . . . A 18 ASN HA . 25609 1 175 . 1 1 18 18 ASN HB2 H 1 3.139 0.002 . . . . . A 18 ASN HB2 . 25609 1 176 . 1 1 18 18 ASN HB3 H 1 2.721 0.002 . . . . . A 18 ASN HB3 . 25609 1 177 . 1 1 18 18 ASN HD21 H 1 7.043 0.002 . . . . . A 18 ASN HD21 . 25609 1 178 . 1 1 18 18 ASN HD22 H 1 7.625 0.002 . . . . . A 18 ASN HD22 . 25609 1 179 . 1 1 18 18 ASN N N 15 125.543 0.000 . . . . . A 18 ASN N . 25609 1 180 . 1 1 18 18 ASN ND2 N 15 112.955 0.008 . . . . . A 18 ASN ND2 . 25609 1 181 . 1 1 19 19 ASN H H 1 8.453 0.003 . . . . . A 19 ASN H . 25609 1 182 . 1 1 19 19 ASN HA H 1 4.396 0.007 . . . . . A 19 ASN HA . 25609 1 183 . 1 1 19 19 ASN HB2 H 1 2.815 0.012 . . . . . A 19 ASN HB2 . 25609 1 184 . 1 1 19 19 ASN HB3 H 1 2.908 0.005 . . . . . A 19 ASN HB3 . 25609 1 185 . 1 1 19 19 ASN HD21 H 1 7.109 0.003 . . . . . A 19 ASN HD21 . 25609 1 186 . 1 1 19 19 ASN HD22 H 1 7.751 0.003 . . . . . A 19 ASN HD22 . 25609 1 187 . 1 1 19 19 ASN CA C 13 59.394 0.000 . . . . . A 19 ASN CA . 25609 1 188 . 1 1 19 19 ASN CB C 13 38.153 0.028 . . . . . A 19 ASN CB . 25609 1 189 . 1 1 19 19 ASN N N 15 117.817 0.000 . . . . . A 19 ASN N . 25609 1 190 . 1 1 19 19 ASN ND2 N 15 113.510 0.025 . . . . . A 19 ASN ND2 . 25609 1 191 . 1 1 20 20 ALA H H 1 8.002 0.003 . . . . . A 20 ALA H . 25609 1 192 . 1 1 20 20 ALA HA H 1 4.317 0.003 . . . . . A 20 ALA HA . 25609 1 193 . 1 1 20 20 ALA HB1 H 1 1.770 0.003 . . . . . A 20 ALA HB1 . 25609 1 194 . 1 1 20 20 ALA HB2 H 1 1.770 0.003 . . . . . A 20 ALA HB2 . 25609 1 195 . 1 1 20 20 ALA HB3 H 1 1.770 0.003 . . . . . A 20 ALA HB3 . 25609 1 196 . 1 1 20 20 ALA CA C 13 54.918 0.000 . . . . . A 20 ALA CA . 25609 1 197 . 1 1 20 20 ALA CB C 13 18.471 0.000 . . . . . A 20 ALA CB . 25609 1 198 . 1 1 20 20 ALA N N 15 122.828 0.000 . . . . . A 20 ALA N . 25609 1 199 . 1 1 21 21 CYS H H 1 7.273 0.004 . . . . . A 21 CYS H . 25609 1 200 . 1 1 21 21 CYS HA H 1 4.173 0.009 . . . . . A 21 CYS HA . 25609 1 201 . 1 1 21 21 CYS HB2 H 1 2.200 0.006 . . . . . A 21 CYS HB2 . 25609 1 202 . 1 1 21 21 CYS HB3 H 1 2.088 0.007 . . . . . A 21 CYS HB3 . 25609 1 203 . 1 1 21 21 CYS CA C 13 58.180 0.000 . . . . . A 21 CYS CA . 25609 1 204 . 1 1 21 21 CYS CB C 13 36.910 0.010 . . . . . A 21 CYS CB . 25609 1 205 . 1 1 21 21 CYS N N 15 118.495 0.000 . . . . . A 21 CYS N . 25609 1 206 . 1 1 22 22 LYS H H 1 8.368 0.006 . . . . . A 22 LYS H . 25609 1 207 . 1 1 22 22 LYS HA H 1 3.202 0.008 . . . . . A 22 LYS HA . 25609 1 208 . 1 1 22 22 LYS HB2 H 1 1.924 0.011 . . . . . A 22 LYS HB2 . 25609 1 209 . 1 1 22 22 LYS HB3 H 1 1.924 0.011 . . . . . A 22 LYS HB3 . 25609 1 210 . 1 1 22 22 LYS HG2 H 1 1.220 0.011 . . . . . A 22 LYS HG2 . 25609 1 211 . 1 1 22 22 LYS HG3 H 1 1.304 0.007 . . . . . A 22 LYS HG3 . 25609 1 212 . 1 1 22 22 LYS HD2 H 1 1.732 0.000 . . . . . A 22 LYS HD2 . 25609 1 213 . 1 1 22 22 LYS HD3 H 1 1.732 0.000 . . . . . A 22 LYS HD3 . 25609 1 214 . 1 1 22 22 LYS HE2 H 1 3.037 0.000 . . . . . A 22 LYS HE2 . 25609 1 215 . 1 1 22 22 LYS HE3 H 1 3.037 0.000 . . . . . A 22 LYS HE3 . 25609 1 216 . 1 1 22 22 LYS CA C 13 60.718 0.000 . . . . . A 22 LYS CA . 25609 1 217 . 1 1 22 22 LYS CG C 13 25.174 0.024 . . . . . A 22 LYS CG . 25609 1 218 . 1 1 22 22 LYS CE C 13 42.141 0.000 . . . . . A 22 LYS CE . 25609 1 219 . 1 1 22 22 LYS N N 15 120.732 0.000 . . . . . A 22 LYS N . 25609 1 220 . 1 1 23 23 ASN H H 1 8.311 0.002 . . . . . A 23 ASN H . 25609 1 221 . 1 1 23 23 ASN HA H 1 4.403 0.003 . . . . . A 23 ASN HA . 25609 1 222 . 1 1 23 23 ASN HB2 H 1 2.887 0.003 . . . . . A 23 ASN HB2 . 25609 1 223 . 1 1 23 23 ASN HB3 H 1 2.798 0.003 . . . . . A 23 ASN HB3 . 25609 1 224 . 1 1 23 23 ASN HD21 H 1 6.884 0.002 . . . . . A 23 ASN HD21 . 25609 1 225 . 1 1 23 23 ASN HD22 H 1 7.591 0.001 . . . . . A 23 ASN HD22 . 25609 1 226 . 1 1 23 23 ASN CA C 13 56.202 0.000 . . . . . A 23 ASN CA . 25609 1 227 . 1 1 23 23 ASN N N 15 114.540 0.000 . . . . . A 23 ASN N . 25609 1 228 . 1 1 23 23 ASN ND2 N 15 111.914 0.002 . . . . . A 23 ASN ND2 . 25609 1 229 . 1 1 24 24 GLN H H 1 8.206 0.003 . . . . . A 24 GLN H . 25609 1 230 . 1 1 24 24 GLN HA H 1 4.120 0.004 . . . . . A 24 GLN HA . 25609 1 231 . 1 1 24 24 GLN HB2 H 1 2.385 0.010 . . . . . A 24 GLN HB2 . 25609 1 232 . 1 1 24 24 GLN HB3 H 1 2.586 0.010 . . . . . A 24 GLN HB3 . 25609 1 233 . 1 1 24 24 GLN HG2 H 1 2.530 0.009 . . . . . A 24 GLN HG2 . 25609 1 234 . 1 1 24 24 GLN HG3 H 1 2.590 0.007 . . . . . A 24 GLN HG3 . 25609 1 235 . 1 1 24 24 GLN HE21 H 1 6.579 0.002 . . . . . A 24 GLN HE21 . 25609 1 236 . 1 1 24 24 GLN HE22 H 1 7.813 0.000 . . . . . A 24 GLN HE22 . 25609 1 237 . 1 1 24 24 GLN CA C 13 60.733 0.000 . . . . . A 24 GLN CA . 25609 1 238 . 1 1 24 24 GLN CB C 13 28.107 0.034 . . . . . A 24 GLN CB . 25609 1 239 . 1 1 24 24 GLN CG C 13 34.198 0.000 . . . . . A 24 GLN CG . 25609 1 240 . 1 1 24 24 GLN N N 15 121.346 0.000 . . . . . A 24 GLN N . 25609 1 241 . 1 1 24 24 GLN NE2 N 15 110.340 0.016 . . . . . A 24 GLN NE2 . 25609 1 242 . 1 1 25 25 CYS H H 1 8.745 0.003 . . . . . A 25 CYS H . 25609 1 243 . 1 1 25 25 CYS HA H 1 4.226 0.009 . . . . . A 25 CYS HA . 25609 1 244 . 1 1 25 25 CYS HB2 H 1 2.528 0.010 . . . . . A 25 CYS HB2 . 25609 1 245 . 1 1 25 25 CYS HB3 H 1 2.878 0.002 . . . . . A 25 CYS HB3 . 25609 1 246 . 1 1 25 25 CYS CA C 13 57.322 0.000 . . . . . A 25 CYS CA . 25609 1 247 . 1 1 25 25 CYS CB C 13 36.914 0.028 . . . . . A 25 CYS CB . 25609 1 248 . 1 1 26 26 ILE H H 1 8.185 0.005 . . . . . A 26 ILE H . 25609 1 249 . 1 1 26 26 ILE HA H 1 3.838 0.006 . . . . . A 26 ILE HA . 25609 1 250 . 1 1 26 26 ILE HB H 1 1.724 0.003 . . . . . A 26 ILE HB . 25609 1 251 . 1 1 26 26 ILE HG12 H 1 0.813 0.003 . . . . . A 26 ILE HG12 . 25609 1 252 . 1 1 26 26 ILE HG13 H 1 1.449 0.003 . . . . . A 26 ILE HG13 . 25609 1 253 . 1 1 26 26 ILE HG21 H 1 0.892 0.006 . . . . . A 26 ILE HG21 . 25609 1 254 . 1 1 26 26 ILE HG22 H 1 0.892 0.006 . . . . . A 26 ILE HG22 . 25609 1 255 . 1 1 26 26 ILE HG23 H 1 0.892 0.006 . . . . . A 26 ILE HG23 . 25609 1 256 . 1 1 26 26 ILE HD11 H 1 0.814 0.003 . . . . . A 26 ILE HD11 . 25609 1 257 . 1 1 26 26 ILE HD12 H 1 0.814 0.003 . . . . . A 26 ILE HD12 . 25609 1 258 . 1 1 26 26 ILE HD13 H 1 0.814 0.003 . . . . . A 26 ILE HD13 . 25609 1 259 . 1 1 26 26 ILE CA C 13 65.135 0.000 . . . . . A 26 ILE CA . 25609 1 260 . 1 1 26 26 ILE CB C 13 39.427 0.000 . . . . . A 26 ILE CB . 25609 1 261 . 1 1 26 26 ILE CG1 C 13 28.011 0.005 . . . . . A 26 ILE CG1 . 25609 1 262 . 1 1 26 26 ILE CG2 C 13 16.526 0.000 . . . . . A 26 ILE CG2 . 25609 1 263 . 1 1 26 26 ILE CD1 C 13 14.847 0.000 . . . . . A 26 ILE CD1 . 25609 1 264 . 1 1 26 26 ILE N N 15 119.656 0.000 . . . . . A 26 ILE N . 25609 1 265 . 1 1 27 27 ARG H H 1 8.684 0.002 . . . . . A 27 ARG H . 25609 1 266 . 1 1 27 27 ARG HA H 1 4.130 0.002 . . . . . A 27 ARG HA . 25609 1 267 . 1 1 27 27 ARG HB2 H 1 1.909 0.005 . . . . . A 27 ARG HB2 . 25609 1 268 . 1 1 27 27 ARG HB3 H 1 1.995 0.004 . . . . . A 27 ARG HB3 . 25609 1 269 . 1 1 27 27 ARG HG2 H 1 1.654 0.005 . . . . . A 27 ARG HG2 . 25609 1 270 . 1 1 27 27 ARG HG3 H 1 1.814 0.005 . . . . . A 27 ARG HG3 . 25609 1 271 . 1 1 27 27 ARG HD2 H 1 3.192 0.005 . . . . . A 27 ARG HD2 . 25609 1 272 . 1 1 27 27 ARG HD3 H 1 3.255 0.007 . . . . . A 27 ARG HD3 . 25609 1 273 . 1 1 27 27 ARG HE H 1 7.305 0.002 . . . . . A 27 ARG HE . 25609 1 274 . 1 1 27 27 ARG CA C 13 59.547 0.000 . . . . . A 27 ARG CA . 25609 1 275 . 1 1 27 27 ARG CB C 13 31.079 0.008 . . . . . A 27 ARG CB . 25609 1 276 . 1 1 27 27 ARG CD C 13 43.349 0.005 . . . . . A 27 ARG CD . 25609 1 277 . 1 1 27 27 ARG N N 15 118.058 0.000 . . . . . A 27 ARG N . 25609 1 278 . 1 1 28 28 LEU H H 1 8.567 0.002 . . . . . A 28 LEU H . 25609 1 279 . 1 1 28 28 LEU HA H 1 4.708 0.005 . . . . . A 28 LEU HA . 25609 1 280 . 1 1 28 28 LEU HB2 H 1 1.670 0.004 . . . . . A 28 LEU HB2 . 25609 1 281 . 1 1 28 28 LEU HB3 H 1 2.196 0.001 . . . . . A 28 LEU HB3 . 25609 1 282 . 1 1 28 28 LEU HG H 1 1.769 0.007 . . . . . A 28 LEU HG . 25609 1 283 . 1 1 28 28 LEU HD11 H 1 0.996 0.004 . . . . . A 28 LEU HD11 . 25609 1 284 . 1 1 28 28 LEU HD12 H 1 0.996 0.004 . . . . . A 28 LEU HD12 . 25609 1 285 . 1 1 28 28 LEU HD13 H 1 0.996 0.004 . . . . . A 28 LEU HD13 . 25609 1 286 . 1 1 28 28 LEU HD21 H 1 0.924 0.007 . . . . . A 28 LEU HD21 . 25609 1 287 . 1 1 28 28 LEU HD22 H 1 0.924 0.007 . . . . . A 28 LEU HD22 . 25609 1 288 . 1 1 28 28 LEU HD23 H 1 0.924 0.007 . . . . . A 28 LEU HD23 . 25609 1 289 . 1 1 28 28 LEU CA C 13 55.662 0.000 . . . . . A 28 LEU CA . 25609 1 290 . 1 1 28 28 LEU CB C 13 42.791 0.063 . . . . . A 28 LEU CB . 25609 1 291 . 1 1 28 28 LEU CG C 13 27.852 0.000 . . . . . A 28 LEU CG . 25609 1 292 . 1 1 28 28 LEU CD1 C 13 24.946 0.000 . . . . . A 28 LEU CD1 . 25609 1 293 . 1 1 28 28 LEU CD2 C 13 22.664 0.000 . . . . . A 28 LEU CD2 . 25609 1 294 . 1 1 28 28 LEU N N 15 114.032 0.000 . . . . . A 28 LEU N . 25609 1 295 . 1 1 29 29 GLU H H 1 7.026 0.004 . . . . . A 29 GLU H . 25609 1 296 . 1 1 29 29 GLU HA H 1 4.820 0.004 . . . . . A 29 GLU HA . 25609 1 297 . 1 1 29 29 GLU HB2 H 1 2.651 0.006 . . . . . A 29 GLU HB2 . 25609 1 298 . 1 1 29 29 GLU HB3 H 1 2.761 0.003 . . . . . A 29 GLU HB3 . 25609 1 299 . 1 1 29 29 GLU HG2 H 1 2.283 0.009 . . . . . A 29 GLU HG2 . 25609 1 300 . 1 1 29 29 GLU HG3 H 1 2.375 0.006 . . . . . A 29 GLU HG3 . 25609 1 301 . 1 1 29 29 GLU CB C 13 30.031 0.035 . . . . . A 29 GLU CB . 25609 1 302 . 1 1 29 29 GLU CG C 13 38.455 0.002 . . . . . A 29 GLU CG . 25609 1 303 . 1 1 30 30 LYS H H 1 7.477 0.004 . . . . . A 30 LYS H . 25609 1 304 . 1 1 30 30 LYS HA H 1 4.236 0.003 . . . . . A 30 LYS HA . 25609 1 305 . 1 1 30 30 LYS HB2 H 1 2.152 0.005 . . . . . A 30 LYS HB2 . 25609 1 306 . 1 1 30 30 LYS HB3 H 1 2.246 0.004 . . . . . A 30 LYS HB3 . 25609 1 307 . 1 1 30 30 LYS HG2 H 1 1.430 0.005 . . . . . A 30 LYS HG2 . 25609 1 308 . 1 1 30 30 LYS HG3 H 1 1.429 0.005 . . . . . A 30 LYS HG3 . 25609 1 309 . 1 1 30 30 LYS HD2 H 1 1.725 0.008 . . . . . A 30 LYS HD2 . 25609 1 310 . 1 1 30 30 LYS HD3 H 1 1.738 0.005 . . . . . A 30 LYS HD3 . 25609 1 311 . 1 1 30 30 LYS HE2 H 1 3.059 0.003 . . . . . A 30 LYS HE2 . 25609 1 312 . 1 1 30 30 LYS HE3 H 1 3.059 0.003 . . . . . A 30 LYS HE3 . 25609 1 313 . 1 1 30 30 LYS HZ1 H 1 7.553 0.000 . . . . . A 30 LYS HZ1 . 25609 1 314 . 1 1 30 30 LYS HZ2 H 1 7.553 0.000 . . . . . A 30 LYS HZ2 . 25609 1 315 . 1 1 30 30 LYS HZ3 H 1 7.553 0.000 . . . . . A 30 LYS HZ3 . 25609 1 316 . 1 1 30 30 LYS CA C 13 57.254 0.000 . . . . . A 30 LYS CA . 25609 1 317 . 1 1 30 30 LYS CB C 13 28.627 0.014 . . . . . A 30 LYS CB . 25609 1 318 . 1 1 30 30 LYS CG C 13 25.243 0.000 . . . . . A 30 LYS CG . 25609 1 319 . 1 1 30 30 LYS CD C 13 26.745 0.000 . . . . . A 30 LYS CD . 25609 1 320 . 1 1 30 30 LYS N N 15 112.428 0.000 . . . . . A 30 LYS N . 25609 1 321 . 1 1 31 31 ALA H H 1 7.925 0.001 . . . . . A 31 ALA H . 25609 1 322 . 1 1 31 31 ALA HA H 1 3.988 0.008 . . . . . A 31 ALA HA . 25609 1 323 . 1 1 31 31 ALA HB1 H 1 0.813 0.003 . . . . . A 31 ALA HB1 . 25609 1 324 . 1 1 31 31 ALA HB2 H 1 0.813 0.003 . . . . . A 31 ALA HB2 . 25609 1 325 . 1 1 31 31 ALA HB3 H 1 0.813 0.003 . . . . . A 31 ALA HB3 . 25609 1 326 . 1 1 31 31 ALA CA C 13 56.504 0.000 . . . . . A 31 ALA CA . 25609 1 327 . 1 1 31 31 ALA CB C 13 21.065 0.000 . . . . . A 31 ALA CB . 25609 1 328 . 1 1 31 31 ALA N N 15 120.385 0.000 . . . . . A 31 ALA N . 25609 1 329 . 1 1 32 32 ARG H H 1 8.238 0.002 . . . . . A 32 ARG H . 25609 1 330 . 1 1 32 32 ARG HA H 1 4.465 0.008 . . . . . A 32 ARG HA . 25609 1 331 . 1 1 32 32 ARG HB2 H 1 1.617 0.006 . . . . . A 32 ARG HB2 . 25609 1 332 . 1 1 32 32 ARG HB3 H 1 1.810 0.014 . . . . . A 32 ARG HB3 . 25609 1 333 . 1 1 32 32 ARG HG2 H 1 1.695 0.007 . . . . . A 32 ARG HG2 . 25609 1 334 . 1 1 32 32 ARG HG3 H 1 1.756 0.000 . . . . . A 32 ARG HG3 . 25609 1 335 . 1 1 32 32 ARG HD2 H 1 3.246 0.011 . . . . . A 32 ARG HD2 . 25609 1 336 . 1 1 32 32 ARG HD3 H 1 3.248 0.007 . . . . . A 32 ARG HD3 . 25609 1 337 . 1 1 32 32 ARG HE H 1 7.451 0.006 . . . . . A 32 ARG HE . 25609 1 338 . 1 1 32 32 ARG CA C 13 55.425 0.000 . . . . . A 32 ARG CA . 25609 1 339 . 1 1 32 32 ARG CB C 13 31.652 0.022 . . . . . A 32 ARG CB . 25609 1 340 . 1 1 32 32 ARG CD C 13 42.153 0.015 . . . . . A 32 ARG CD . 25609 1 341 . 1 1 32 32 ARG N N 15 113.732 0.000 . . . . . A 32 ARG N . 25609 1 342 . 1 1 33 33 HIS H H 1 7.678 0.002 . . . . . A 33 HIS H . 25609 1 343 . 1 1 33 33 HIS HA H 1 4.611 0.011 . . . . . A 33 HIS HA . 25609 1 344 . 1 1 33 33 HIS HB2 H 1 2.417 0.004 . . . . . A 33 HIS HB2 . 25609 1 345 . 1 1 33 33 HIS HB3 H 1 3.106 0.012 . . . . . A 33 HIS HB3 . 25609 1 346 . 1 1 33 33 HIS HD2 H 1 5.918 0.002 . . . . . A 33 HIS HD2 . 25609 1 347 . 1 1 33 33 HIS HE1 H 1 7.757 0.003 . . . . . A 33 HIS HE1 . 25609 1 348 . 1 1 33 33 HIS CA C 13 54.675 0.000 . . . . . A 33 HIS CA . 25609 1 349 . 1 1 33 33 HIS CB C 13 32.706 0.000 . . . . . A 33 HIS CB . 25609 1 350 . 1 1 33 33 HIS CD2 C 13 118.843 0.000 . . . . . A 33 HIS CD2 . 25609 1 351 . 1 1 33 33 HIS CE1 C 13 139.201 0.000 . . . . . A 33 HIS CE1 . 25609 1 352 . 1 1 33 33 HIS N N 15 113.719 0.000 . . . . . A 33 HIS N . 25609 1 353 . 1 1 34 34 GLY H H 1 6.313 0.004 . . . . . A 34 GLY H . 25609 1 354 . 1 1 34 34 GLY HA2 H 1 3.847 0.012 . . . . . A 34 GLY HA2 . 25609 1 355 . 1 1 34 34 GLY HA3 H 1 5.293 0.006 . . . . . A 34 GLY HA3 . 25609 1 356 . 1 1 34 34 GLY CA C 13 46.560 0.054 . . . . . A 34 GLY CA . 25609 1 357 . 1 1 34 34 GLY N N 15 110.099 0.000 . . . . . A 34 GLY N . 25609 1 358 . 1 1 35 35 SER H H 1 9.047 0.002 . . . . . A 35 SER H . 25609 1 359 . 1 1 35 35 SER HA H 1 4.127 0.013 . . . . . A 35 SER HA . 25609 1 360 . 1 1 35 35 SER HB2 H 1 3.725 0.000 . . . . . A 35 SER HB2 . 25609 1 361 . 1 1 35 35 SER HB3 H 1 3.725 0.000 . . . . . A 35 SER HB3 . 25609 1 362 . 1 1 35 35 SER CA C 13 58.325 0.000 . . . . . A 35 SER CA . 25609 1 363 . 1 1 35 35 SER CB C 13 64.988 0.000 . . . . . A 35 SER CB . 25609 1 364 . 1 1 35 35 SER N N 15 113.340 0.000 . . . . . A 35 SER N . 25609 1 365 . 1 1 36 36 CYS H H 1 8.551 0.003 . . . . . A 36 CYS H . 25609 1 366 . 1 1 36 36 CYS HA H 1 5.487 0.004 . . . . . A 36 CYS HA . 25609 1 367 . 1 1 36 36 CYS HB2 H 1 2.755 0.008 . . . . . A 36 CYS HB2 . 25609 1 368 . 1 1 36 36 CYS HB3 H 1 2.850 0.004 . . . . . A 36 CYS HB3 . 25609 1 369 . 1 1 36 36 CYS CA C 13 51.982 0.000 . . . . . A 36 CYS CA . 25609 1 370 . 1 1 36 36 CYS CB C 13 36.289 0.006 . . . . . A 36 CYS CB . 25609 1 371 . 1 1 36 36 CYS N N 15 120.662 0.000 . . . . . A 36 CYS N . 25609 1 372 . 1 1 37 37 ASN H H 1 9.115 0.002 . . . . . A 37 ASN H . 25609 1 373 . 1 1 37 37 ASN HA H 1 4.958 0.010 . . . . . A 37 ASN HA . 25609 1 374 . 1 1 37 37 ASN HB2 H 1 2.751 0.003 . . . . . A 37 ASN HB2 . 25609 1 375 . 1 1 37 37 ASN HB3 H 1 2.751 0.003 . . . . . A 37 ASN HB3 . 25609 1 376 . 1 1 37 37 ASN CA C 13 51.227 0.000 . . . . . A 37 ASN CA . 25609 1 377 . 1 1 37 37 ASN N N 15 121.719 0.000 . . . . . A 37 ASN N . 25609 1 378 . 1 1 38 38 TYR H H 1 8.770 0.004 . . . . . A 38 TYR H . 25609 1 379 . 1 1 38 38 TYR HA H 1 4.252 0.004 . . . . . A 38 TYR HA . 25609 1 380 . 1 1 38 38 TYR HB2 H 1 2.578 0.012 . . . . . A 38 TYR HB2 . 25609 1 381 . 1 1 38 38 TYR HB3 H 1 3.030 0.010 . . . . . A 38 TYR HB3 . 25609 1 382 . 1 1 38 38 TYR HD1 H 1 6.601 0.011 . . . . . A 38 TYR HD1 . 25609 1 383 . 1 1 38 38 TYR HD2 H 1 6.601 0.011 . . . . . A 38 TYR HD2 . 25609 1 384 . 1 1 38 38 TYR HE1 H 1 6.695 0.010 . . . . . A 38 TYR HE1 . 25609 1 385 . 1 1 38 38 TYR HE2 H 1 6.695 0.010 . . . . . A 38 TYR HE2 . 25609 1 386 . 1 1 38 38 TYR CB C 13 37.960 0.042 . . . . . A 38 TYR CB . 25609 1 387 . 1 1 38 38 TYR CD1 C 13 132.553 0.000 . . . . . A 38 TYR CD1 . 25609 1 388 . 1 1 38 38 TYR CD2 C 13 132.553 0.000 . . . . . A 38 TYR CD2 . 25609 1 389 . 1 1 38 38 TYR CE1 C 13 117.713 0.000 . . . . . A 38 TYR CE1 . 25609 1 390 . 1 1 38 38 TYR CE2 C 13 117.713 0.000 . . . . . A 38 TYR CE2 . 25609 1 391 . 1 1 38 38 TYR N N 15 121.468 0.000 . . . . . A 38 TYR N . 25609 1 392 . 1 1 39 39 VAL H H 1 7.708 0.003 . . . . . A 39 VAL H . 25609 1 393 . 1 1 39 39 VAL HA H 1 3.899 0.007 . . . . . A 39 VAL HA . 25609 1 394 . 1 1 39 39 VAL HB H 1 1.888 0.006 . . . . . A 39 VAL HB . 25609 1 395 . 1 1 39 39 VAL HG11 H 1 0.872 0.004 . . . . . A 39 VAL HG11 . 25609 1 396 . 1 1 39 39 VAL HG12 H 1 0.872 0.004 . . . . . A 39 VAL HG12 . 25609 1 397 . 1 1 39 39 VAL HG13 H 1 0.872 0.004 . . . . . A 39 VAL HG13 . 25609 1 398 . 1 1 39 39 VAL HG21 H 1 0.871 0.003 . . . . . A 39 VAL HG21 . 25609 1 399 . 1 1 39 39 VAL HG22 H 1 0.871 0.003 . . . . . A 39 VAL HG22 . 25609 1 400 . 1 1 39 39 VAL HG23 H 1 0.871 0.003 . . . . . A 39 VAL HG23 . 25609 1 401 . 1 1 39 39 VAL CA C 13 61.802 0.000 . . . . . A 39 VAL CA . 25609 1 402 . 1 1 39 39 VAL CB C 13 32.993 0.000 . . . . . A 39 VAL CB . 25609 1 403 . 1 1 39 39 VAL CG1 C 13 21.162 0.000 . . . . . A 39 VAL CG1 . 25609 1 404 . 1 1 39 39 VAL CG2 C 13 20.240 0.000 . . . . . A 39 VAL CG2 . 25609 1 405 . 1 1 39 39 VAL N N 15 128.297 0.000 . . . . . A 39 VAL N . 25609 1 406 . 1 1 40 40 PHE H H 1 8.445 0.002 . . . . . A 40 PHE H . 25609 1 407 . 1 1 40 40 PHE HA H 1 3.968 0.005 . . . . . A 40 PHE HA . 25609 1 408 . 1 1 40 40 PHE HB2 H 1 2.891 0.007 . . . . . A 40 PHE HB2 . 25609 1 409 . 1 1 40 40 PHE HB3 H 1 3.019 0.006 . . . . . A 40 PHE HB3 . 25609 1 410 . 1 1 40 40 PHE HD1 H 1 7.304 0.006 . . . . . A 40 PHE HD1 . 25609 1 411 . 1 1 40 40 PHE HD2 H 1 7.304 0.006 . . . . . A 40 PHE HD2 . 25609 1 412 . 1 1 40 40 PHE HE1 H 1 7.419 0.005 . . . . . A 40 PHE HE1 . 25609 1 413 . 1 1 40 40 PHE HE2 H 1 7.419 0.005 . . . . . A 40 PHE HE2 . 25609 1 414 . 1 1 40 40 PHE CD1 C 13 132.180 0.000 . . . . . A 40 PHE CD1 . 25609 1 415 . 1 1 40 40 PHE CD2 C 13 132.180 0.000 . . . . . A 40 PHE CD2 . 25609 1 416 . 1 1 40 40 PHE CE1 C 13 132.347 0.000 . . . . . A 40 PHE CE1 . 25609 1 417 . 1 1 40 40 PHE CE2 C 13 132.347 0.000 . . . . . A 40 PHE CE2 . 25609 1 418 . 1 1 40 40 PHE N N 15 125.402 0.000 . . . . . A 40 PHE N . 25609 1 419 . 1 1 41 41 PRO HA H 1 3.875 0.003 . . . . . A 41 PRO HA . 25609 1 420 . 1 1 41 41 PRO HB2 H 1 1.980 0.006 . . . . . A 41 PRO HB2 . 25609 1 421 . 1 1 41 41 PRO HB3 H 1 1.018 0.022 . . . . . A 41 PRO HB3 . 25609 1 422 . 1 1 41 41 PRO HG2 H 1 1.504 0.004 . . . . . A 41 PRO HG2 . 25609 1 423 . 1 1 41 41 PRO HG3 H 1 1.712 0.004 . . . . . A 41 PRO HG3 . 25609 1 424 . 1 1 41 41 PRO HD2 H 1 3.281 0.009 . . . . . A 41 PRO HD2 . 25609 1 425 . 1 1 41 41 PRO HD3 H 1 3.356 0.002 . . . . . A 41 PRO HD3 . 25609 1 426 . 1 1 41 41 PRO CA C 13 64.282 0.000 . . . . . A 41 PRO CA . 25609 1 427 . 1 1 41 41 PRO CB C 13 33.413 0.007 . . . . . A 41 PRO CB . 25609 1 428 . 1 1 41 41 PRO CG C 13 24.013 0.024 . . . . . A 41 PRO CG . 25609 1 429 . 1 1 41 41 PRO CD C 13 49.066 0.049 . . . . . A 41 PRO CD . 25609 1 430 . 1 1 42 42 ALA H H 1 8.286 0.003 . . . . . A 42 ALA H . 25609 1 431 . 1 1 42 42 ALA HA H 1 4.752 0.008 . . . . . A 42 ALA HA . 25609 1 432 . 1 1 42 42 ALA HB1 H 1 1.326 0.003 . . . . . A 42 ALA HB1 . 25609 1 433 . 1 1 42 42 ALA HB2 H 1 1.326 0.003 . . . . . A 42 ALA HB2 . 25609 1 434 . 1 1 42 42 ALA HB3 H 1 1.326 0.003 . . . . . A 42 ALA HB3 . 25609 1 435 . 1 1 42 42 ALA CA C 13 51.325 0.000 . . . . . A 42 ALA CA . 25609 1 436 . 1 1 42 42 ALA CB C 13 22.128 0.000 . . . . . A 42 ALA CB . 25609 1 437 . 1 1 42 42 ALA N N 15 128.282 0.000 . . . . . A 42 ALA N . 25609 1 438 . 1 1 43 43 HIS H H 1 8.656 0.004 . . . . . A 43 HIS H . 25609 1 439 . 1 1 43 43 HIS HA H 1 4.942 0.007 . . . . . A 43 HIS HA . 25609 1 440 . 1 1 43 43 HIS HB2 H 1 3.163 0.013 . . . . . A 43 HIS HB2 . 25609 1 441 . 1 1 43 43 HIS HB3 H 1 3.309 0.009 . . . . . A 43 HIS HB3 . 25609 1 442 . 1 1 43 43 HIS HD2 H 1 7.327 0.002 . . . . . A 43 HIS HD2 . 25609 1 443 . 1 1 43 43 HIS HE1 H 1 8.274 0.000 . . . . . A 43 HIS HE1 . 25609 1 444 . 1 1 43 43 HIS CA C 13 55.599 0.000 . . . . . A 43 HIS CA . 25609 1 445 . 1 1 43 43 HIS CB C 13 29.310 0.023 . . . . . A 43 HIS CB . 25609 1 446 . 1 1 43 43 HIS CD2 C 13 119.827 0.000 . . . . . A 43 HIS CD2 . 25609 1 447 . 1 1 43 43 HIS CE1 C 13 136.296 0.000 . . . . . A 43 HIS CE1 . 25609 1 448 . 1 1 43 43 HIS N N 15 118.357 0.000 . . . . . A 43 HIS N . 25609 1 449 . 1 1 44 44 LYS H H 1 8.786 0.003 . . . . . A 44 LYS H . 25609 1 450 . 1 1 44 44 LYS HA H 1 4.662 0.003 . . . . . A 44 LYS HA . 25609 1 451 . 1 1 44 44 LYS HB2 H 1 1.884 0.003 . . . . . A 44 LYS HB2 . 25609 1 452 . 1 1 44 44 LYS HB3 H 1 1.542 0.008 . . . . . A 44 LYS HB3 . 25609 1 453 . 1 1 44 44 LYS HG2 H 1 1.409 0.004 . . . . . A 44 LYS HG2 . 25609 1 454 . 1 1 44 44 LYS HG3 H 1 1.510 0.008 . . . . . A 44 LYS HG3 . 25609 1 455 . 1 1 44 44 LYS HD2 H 1 1.670 0.002 . . . . . A 44 LYS HD2 . 25609 1 456 . 1 1 44 44 LYS HD3 H 1 1.670 0.001 . . . . . A 44 LYS HD3 . 25609 1 457 . 1 1 44 44 LYS HE2 H 1 2.954 0.006 . . . . . A 44 LYS HE2 . 25609 1 458 . 1 1 44 44 LYS HE3 H 1 2.954 0.006 . . . . . A 44 LYS HE3 . 25609 1 459 . 1 1 44 44 LYS HZ1 H 1 7.651 0.006 . . . . . A 44 LYS HZ1 . 25609 1 460 . 1 1 44 44 LYS HZ2 H 1 7.651 0.006 . . . . . A 44 LYS HZ2 . 25609 1 461 . 1 1 44 44 LYS HZ3 H 1 7.651 0.006 . . . . . A 44 LYS HZ3 . 25609 1 462 . 1 1 44 44 LYS CA C 13 54.715 0.000 . . . . . A 44 LYS CA . 25609 1 463 . 1 1 44 44 LYS CB C 13 35.890 0.039 . . . . . A 44 LYS CB . 25609 1 464 . 1 1 44 44 LYS CD C 13 28.929 0.000 . . . . . A 44 LYS CD . 25609 1 465 . 1 1 44 44 LYS CE C 13 41.793 0.000 . . . . . A 44 LYS CE . 25609 1 466 . 1 1 44 44 LYS N N 15 124.500 0.000 . . . . . A 44 LYS N . 25609 1 467 . 1 1 45 45 CYS H H 1 9.194 0.002 . . . . . A 45 CYS H . 25609 1 468 . 1 1 45 45 CYS HA H 1 4.720 0.007 . . . . . A 45 CYS HA . 25609 1 469 . 1 1 45 45 CYS HB2 H 1 1.590 0.009 . . . . . A 45 CYS HB2 . 25609 1 470 . 1 1 45 45 CYS HB3 H 1 2.200 0.005 . . . . . A 45 CYS HB3 . 25609 1 471 . 1 1 45 45 CYS CB C 13 35.576 0.069 . . . . . A 45 CYS CB . 25609 1 472 . 1 1 45 45 CYS N N 15 120.407 0.000 . . . . . A 45 CYS N . 25609 1 473 . 1 1 46 46 ILE H H 1 8.734 0.005 . . . . . A 46 ILE H . 25609 1 474 . 1 1 46 46 ILE HA H 1 4.207 0.009 . . . . . A 46 ILE HA . 25609 1 475 . 1 1 46 46 ILE HB H 1 2.093 0.002 . . . . . A 46 ILE HB . 25609 1 476 . 1 1 46 46 ILE HG12 H 1 1.287 0.005 . . . . . A 46 ILE HG12 . 25609 1 477 . 1 1 46 46 ILE HG13 H 1 1.548 0.005 . . . . . A 46 ILE HG13 . 25609 1 478 . 1 1 46 46 ILE HG21 H 1 0.450 0.004 . . . . . A 46 ILE HG21 . 25609 1 479 . 1 1 46 46 ILE HG22 H 1 0.450 0.004 . . . . . A 46 ILE HG22 . 25609 1 480 . 1 1 46 46 ILE HG23 H 1 0.450 0.004 . . . . . A 46 ILE HG23 . 25609 1 481 . 1 1 46 46 ILE HD11 H 1 0.597 0.003 . . . . . A 46 ILE HD11 . 25609 1 482 . 1 1 46 46 ILE HD12 H 1 0.597 0.003 . . . . . A 46 ILE HD12 . 25609 1 483 . 1 1 46 46 ILE HD13 H 1 0.597 0.003 . . . . . A 46 ILE HD13 . 25609 1 484 . 1 1 46 46 ILE CA C 13 59.294 0.000 . . . . . A 46 ILE CA . 25609 1 485 . 1 1 46 46 ILE CB C 13 37.466 0.000 . . . . . A 46 ILE CB . 25609 1 486 . 1 1 46 46 ILE CG1 C 13 27.008 0.082 . . . . . A 46 ILE CG1 . 25609 1 487 . 1 1 46 46 ILE CG2 C 13 17.707 0.000 . . . . . A 46 ILE CG2 . 25609 1 488 . 1 1 46 46 ILE CD1 C 13 9.536 0.000 . . . . . A 46 ILE CD1 . 25609 1 489 . 1 1 47 47 CYS H H 1 8.575 0.004 . . . . . A 47 CYS H . 25609 1 490 . 1 1 47 47 CYS HA H 1 5.382 0.003 . . . . . A 47 CYS HA . 25609 1 491 . 1 1 47 47 CYS HB2 H 1 2.746 0.005 . . . . . A 47 CYS HB2 . 25609 1 492 . 1 1 47 47 CYS HB3 H 1 3.007 0.002 . . . . . A 47 CYS HB3 . 25609 1 493 . 1 1 47 47 CYS CA C 13 51.196 0.000 . . . . . A 47 CYS CA . 25609 1 494 . 1 1 47 47 CYS N N 15 120.379 0.000 . . . . . A 47 CYS N . 25609 1 495 . 1 1 48 48 TYR H H 1 7.991 0.002 . . . . . A 48 TYR H . 25609 1 496 . 1 1 48 48 TYR HA H 1 5.304 0.005 . . . . . A 48 TYR HA . 25609 1 497 . 1 1 48 48 TYR HB2 H 1 2.677 0.006 . . . . . A 48 TYR HB2 . 25609 1 498 . 1 1 48 48 TYR HB3 H 1 2.488 0.003 . . . . . A 48 TYR HB3 . 25609 1 499 . 1 1 48 48 TYR HD1 H 1 6.746 0.003 . . . . . A 48 TYR HD1 . 25609 1 500 . 1 1 48 48 TYR HD2 H 1 6.746 0.003 . . . . . A 48 TYR HD2 . 25609 1 501 . 1 1 48 48 TYR HE1 H 1 6.713 0.000 . . . . . A 48 TYR HE1 . 25609 1 502 . 1 1 48 48 TYR HE2 H 1 6.713 0.000 . . . . . A 48 TYR HE2 . 25609 1 503 . 1 1 48 48 TYR CA C 13 56.650 0.000 . . . . . A 48 TYR CA . 25609 1 504 . 1 1 48 48 TYR CB C 13 40.802 0.019 . . . . . A 48 TYR CB . 25609 1 505 . 1 1 48 48 TYR CD1 C 13 132.348 0.000 . . . . . A 48 TYR CD1 . 25609 1 506 . 1 1 48 48 TYR CD2 C 13 132.348 0.000 . . . . . A 48 TYR CD2 . 25609 1 507 . 1 1 48 48 TYR CE1 C 13 118.653 0.000 . . . . . A 48 TYR CE1 . 25609 1 508 . 1 1 48 48 TYR CE2 C 13 118.653 0.000 . . . . . A 48 TYR CE2 . 25609 1 509 . 1 1 48 48 TYR N N 15 117.509 0.000 . . . . . A 48 TYR N . 25609 1 510 . 1 1 49 49 PHE H H 1 9.213 0.002 . . . . . A 49 PHE H . 25609 1 511 . 1 1 49 49 PHE HA H 1 4.938 0.004 . . . . . A 49 PHE HA . 25609 1 512 . 1 1 49 49 PHE HB2 H 1 3.287 0.001 . . . . . A 49 PHE HB2 . 25609 1 513 . 1 1 49 49 PHE HB3 H 1 2.691 0.003 . . . . . A 49 PHE HB3 . 25609 1 514 . 1 1 49 49 PHE HD1 H 1 7.216 0.001 . . . . . A 49 PHE HD1 . 25609 1 515 . 1 1 49 49 PHE HD2 H 1 7.216 0.001 . . . . . A 49 PHE HD2 . 25609 1 516 . 1 1 49 49 PHE HE1 H 1 7.425 0.010 . . . . . A 49 PHE HE1 . 25609 1 517 . 1 1 49 49 PHE HE2 H 1 7.425 0.010 . . . . . A 49 PHE HE2 . 25609 1 518 . 1 1 49 49 PHE CA C 13 55.712 0.000 . . . . . A 49 PHE CA . 25609 1 519 . 1 1 49 49 PHE CD1 C 13 131.871 0.000 . . . . . A 49 PHE CD1 . 25609 1 520 . 1 1 49 49 PHE CD2 C 13 131.871 0.000 . . . . . A 49 PHE CD2 . 25609 1 521 . 1 1 49 49 PHE CE1 C 13 131.755 0.000 . . . . . A 49 PHE CE1 . 25609 1 522 . 1 1 49 49 PHE CE2 C 13 131.755 0.000 . . . . . A 49 PHE CE2 . 25609 1 523 . 1 1 49 49 PHE N N 15 121.950 0.000 . . . . . A 49 PHE N . 25609 1 524 . 1 1 50 50 PRO HA H 1 4.870 0.007 . . . . . A 50 PRO HA . 25609 1 525 . 1 1 50 50 PRO HB2 H 1 2.376 0.006 . . . . . A 50 PRO HB2 . 25609 1 526 . 1 1 50 50 PRO HB3 H 1 2.109 0.003 . . . . . A 50 PRO HB3 . 25609 1 527 . 1 1 50 50 PRO HG2 H 1 1.944 0.006 . . . . . A 50 PRO HG2 . 25609 1 528 . 1 1 50 50 PRO HG3 H 1 2.376 0.003 . . . . . A 50 PRO HG3 . 25609 1 529 . 1 1 50 50 PRO HD2 H 1 3.804 0.007 . . . . . A 50 PRO HD2 . 25609 1 530 . 1 1 50 50 PRO HD3 H 1 4.110 0.005 . . . . . A 50 PRO HD3 . 25609 1 531 . 1 1 50 50 PRO CA C 13 63.696 0.000 . . . . . A 50 PRO CA . 25609 1 532 . 1 1 50 50 PRO CB C 13 31.919 0.049 . . . . . A 50 PRO CB . 25609 1 533 . 1 1 50 50 PRO CG C 13 28.048 0.008 . . . . . A 50 PRO CG . 25609 1 534 . 1 1 50 50 PRO CD C 13 51.025 0.057 . . . . . A 50 PRO CD . 25609 1 535 . 1 1 51 51 CYS H H 1 8.354 0.001 . . . . . A 51 CYS H . 25609 1 536 . 1 1 51 51 CYS HA H 1 4.548 0.003 . . . . . A 51 CYS HA . 25609 1 537 . 1 1 51 51 CYS HB2 H 1 3.377 0.006 . . . . . A 51 CYS HB2 . 25609 1 538 . 1 1 51 51 CYS HB3 H 1 3.197 0.004 . . . . . A 51 CYS HB3 . 25609 1 539 . 1 1 51 51 CYS CA C 13 56.585 0.000 . . . . . A 51 CYS CA . 25609 1 540 . 1 1 51 51 CYS N N 15 126.457 0.000 . . . . . A 51 CYS N . 25609 1 stop_ save_