################################### # 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 6909 _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 2D_1H-15N_HSQC 1 $sample_1 isotropic 6909 1 2 2D_15N-decoupled_TOCSY 1 $sample_1 isotropic 6909 1 3 2D_15N-decoupled_NOESY 1 $sample_1 isotropic 6909 1 4 3D_1H-1H-15N-TOCSY 1 $sample_1 isotropic 6909 1 5 3D_1H-1H-15N-NOESY 1 $sample_1 isotropic 6909 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 . . 6909 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 32 32 LYS H H 1 8.429 0.002 . 1 . . . . 32 LYS H . 6909 1 2 . 1 1 32 32 LYS HA H 1 4.447 0.002 . 1 . . . . 32 LYS HA . 6909 1 3 . 1 1 32 32 LYS HB2 H 1 1.852 0.001 . 2 . . . . 32 LYS HB2 . 6909 1 4 . 1 1 32 32 LYS HB3 H 1 1.747 0.001 . 2 . . . . 32 LYS HB3 . 6909 1 5 . 1 1 32 32 LYS HG2 H 1 1.469 0.001 . 1 . . . . 32 LYS HG2 . 6909 1 6 . 1 1 32 32 LYS HG3 H 1 1.469 0.001 . 1 . . . . 32 LYS HG3 . 6909 1 7 . 1 1 32 32 LYS HD2 H 1 1.672 0.001 . 2 . . . . 32 LYS HD2 . 6909 1 8 . 1 1 32 32 LYS HD3 H 1 1.727 0.001 . 2 . . . . 32 LYS HD3 . 6909 1 9 . 1 1 32 32 LYS N N 15 123.892 0.021 . 1 . . . . 32 LYS N . 6909 1 10 . 1 1 33 33 SER H H 1 8.639 0.003 . 1 . . . . 33 SER H . 6909 1 11 . 1 1 33 33 SER HA H 1 4.543 0.003 . 1 . . . . 33 SER HA . 6909 1 12 . 1 1 33 33 SER HB2 H 1 3.974 0.002 . 2 . . . . 33 SER HB2 . 6909 1 13 . 1 1 33 33 SER HB3 H 1 3.800 0.001 . 2 . . . . 33 SER HB3 . 6909 1 14 . 1 1 33 33 SER N N 15 116.015 0.010 . 1 . . . . 33 SER N . 6909 1 15 . 1 1 34 34 CYS H H 1 8.334 0.003 . 1 . . . . 34 CYS H . 6909 1 16 . 1 1 34 34 CYS HA H 1 4.431 0.001 . 1 . . . . 34 CYS HA . 6909 1 17 . 1 1 34 34 CYS HB2 H 1 3.218 0.001 . 2 . . . . 34 CYS HB2 . 6909 1 18 . 1 1 34 34 CYS HB3 H 1 3.049 0.003 . 2 . . . . 34 CYS HB3 . 6909 1 19 . 1 1 34 34 CYS N N 15 124.477 0.015 . 1 . . . . 34 CYS N . 6909 1 20 . 1 1 35 35 CYS H H 1 8.287 0.002 . 1 . . . . 35 CYS H . 6909 1 21 . 1 1 35 35 CYS HA H 1 5.019 0.001 . 1 . . . . 35 CYS HA . 6909 1 22 . 1 1 35 35 CYS HB2 H 1 3.532 0.003 . 2 . . . . 35 CYS HB2 . 6909 1 23 . 1 1 35 35 CYS HB3 H 1 3.367 0.001 . 2 . . . . 35 CYS HB3 . 6909 1 24 . 1 1 35 35 CYS N N 15 118.749 0.012 . 1 . . . . 35 CYS N . 6909 1 25 . 1 1 36 36 SER HA H 1 4.365 0.001 . 1 . . . . 36 SER HA . 6909 1 26 . 1 1 36 36 SER HB2 H 1 3.938 0.001 . 2 . . . . 36 SER HB2 . 6909 1 27 . 1 1 36 36 SER HB3 H 1 3.845 0.001 . 2 . . . . 36 SER HB3 . 6909 1 28 . 1 1 37 37 CYS H H 1 8.412 0.002 . 1 . . . . 37 CYS H . 6909 1 29 . 1 1 37 37 CYS HA H 1 4.446 0.005 . 1 . . . . 37 CYS HA . 6909 1 30 . 1 1 37 37 CYS HB2 H 1 3.167 0.002 . 2 . . . . 37 CYS HB2 . 6909 1 31 . 1 1 37 37 CYS HB3 H 1 2.799 0.003 . 2 . . . . 37 CYS HB3 . 6909 1 32 . 1 1 37 37 CYS N N 15 117.741 0.065 . 1 . . . . 37 CYS N . 6909 1 33 . 1 1 38 38 CYS H H 1 7.191 0.003 . 1 . . . . 38 CYS H . 6909 1 34 . 1 1 38 38 CYS HA H 1 5.103 0.002 . 1 . . . . 38 CYS HA . 6909 1 35 . 1 1 38 38 CYS HB2 H 1 3.046 0.001 . 1 . . . . 38 CYS HB2 . 6909 1 36 . 1 1 38 38 CYS HB3 H 1 3.046 0.001 . 1 . . . . 38 CYS HB3 . 6909 1 37 . 1 1 38 38 CYS N N 15 118.202 0.010 . 1 . . . . 38 CYS N . 6909 1 38 . 1 1 39 39 PRO HA H 1 4.654 0.001 . 1 . . . . 39 PRO HA . 6909 1 39 . 1 1 39 39 PRO HB2 H 1 2.343 0.002 . 2 . . . . 39 PRO HB2 . 6909 1 40 . 1 1 39 39 PRO HB3 H 1 2.175 0.001 . 2 . . . . 39 PRO HB3 . 6909 1 41 . 1 1 39 39 PRO HG2 H 1 2.076 0.001 . 2 . . . . 39 PRO HG2 . 6909 1 42 . 1 1 39 39 PRO HG3 H 1 1.843 0.003 . 2 . . . . 39 PRO HG3 . 6909 1 43 . 1 1 39 39 PRO HD2 H 1 3.798 0.004 . 2 . . . . 39 PRO HD2 . 6909 1 44 . 1 1 39 39 PRO HD3 H 1 3.730 0.003 . 2 . . . . 39 PRO HD3 . 6909 1 45 . 1 1 40 40 ALA H H 1 8.841 0.001 . 1 . . . . 40 ALA H . 6909 1 46 . 1 1 40 40 ALA HA H 1 4.053 0.001 . 1 . . . . 40 ALA HA . 6909 1 47 . 1 1 40 40 ALA HB1 H 1 1.336 0.004 . 1 . . . . 40 ALA HB1 . 6909 1 48 . 1 1 40 40 ALA HB2 H 1 1.336 0.004 . 1 . . . . 40 ALA HB2 . 6909 1 49 . 1 1 40 40 ALA HB3 H 1 1.336 0.004 . 1 . . . . 40 ALA HB3 . 6909 1 50 . 1 1 40 40 ALA N N 15 123.157 0.007 . 1 . . . . 40 ALA N . 6909 1 51 . 1 1 41 41 GLU H H 1 8.501 0.001 . 1 . . . . 41 GLU H . 6909 1 52 . 1 1 41 41 GLU HA H 1 4.188 0.002 . 1 . . . . 41 GLU HA . 6909 1 53 . 1 1 41 41 GLU HB2 H 1 2.027 0.001 . 2 . . . . 41 GLU HB2 . 6909 1 54 . 1 1 41 41 GLU HB3 H 1 2.088 0.003 . 2 . . . . 41 GLU HB3 . 6909 1 55 . 1 1 41 41 GLU HG2 H 1 2.185 0.002 . 1 . . . . 41 GLU HG2 . 6909 1 56 . 1 1 41 41 GLU HG3 H 1 2.185 0.002 . 1 . . . . 41 GLU HG3 . 6909 1 57 . 1 1 41 41 GLU N N 15 113.323 0.010 . 1 . . . . 41 GLU N . 6909 1 58 . 1 1 42 42 CYS H H 1 7.228 0.001 . 1 . . . . 42 CYS H . 6909 1 59 . 1 1 42 42 CYS HA H 1 4.062 0.001 . 1 . . . . 42 CYS HA . 6909 1 60 . 1 1 42 42 CYS HB2 H 1 3.131 0.005 . 1 . . . . 42 CYS HB2 . 6909 1 61 . 1 1 42 42 CYS HB3 H 1 3.131 0.005 . 1 . . . . 42 CYS HB3 . 6909 1 62 . 1 1 42 42 CYS N N 15 122.370 0.033 . 1 . . . . 42 CYS N . 6909 1 63 . 1 1 43 43 GLU H H 1 9.266 0.003 . 1 . . . . 43 GLU H . 6909 1 64 . 1 1 43 43 GLU HA H 1 4.067 0.003 . 1 . . . . 43 GLU HA . 6909 1 65 . 1 1 43 43 GLU HB2 H 1 2.096 0.004 . 1 . . . . 43 GLU HB2 . 6909 1 66 . 1 1 43 43 GLU HB3 H 1 2.096 0.004 . 1 . . . . 43 GLU HB3 . 6909 1 67 . 1 1 43 43 GLU HG2 H 1 2.413 0.003 . 2 . . . . 43 GLU HG2 . 6909 1 68 . 1 1 43 43 GLU HG3 H 1 2.312 0.002 . 2 . . . . 43 GLU HG3 . 6909 1 69 . 1 1 43 43 GLU N N 15 131.938 0.016 . 1 . . . . 43 GLU N . 6909 1 70 . 1 1 44 44 LYS H H 1 8.359 0.002 . 1 . . . . 44 LYS H . 6909 1 71 . 1 1 44 44 LYS HA H 1 4.190 0.003 . 1 . . . . 44 LYS HA . 6909 1 72 . 1 1 44 44 LYS HB2 H 1 2.011 0.004 . 1 . . . . 44 LYS HB2 . 6909 1 73 . 1 1 44 44 LYS HB3 H 1 2.011 0.004 . 1 . . . . 44 LYS HB3 . 6909 1 74 . 1 1 44 44 LYS HG2 H 1 1.624 0.005 . 2 . . . . 44 LYS HG2 . 6909 1 75 . 1 1 44 44 LYS HG3 H 1 1.548 0.003 . 2 . . . . 44 LYS HG3 . 6909 1 76 . 1 1 44 44 LYS HD2 H 1 1.648 0.005 . 2 . . . . 44 LYS HD2 . 6909 1 77 . 1 1 44 44 LYS HD3 H 1 1.798 0.003 . 2 . . . . 44 LYS HD3 . 6909 1 78 . 1 1 44 44 LYS HE2 H 1 3.027 0.003 . 1 . . . . 44 LYS HE2 . 6909 1 79 . 1 1 44 44 LYS HE3 H 1 3.027 0.003 . 1 . . . . 44 LYS HE3 . 6909 1 80 . 1 1 44 44 LYS N N 15 122.166 0.020 . 1 . . . . 44 LYS N . 6909 1 81 . 1 1 45 45 CYS H H 1 7.648 0.003 . 1 . . . . 45 CYS H . 6909 1 82 . 1 1 45 45 CYS HA H 1 4.925 0.001 . 1 . . . . 45 CYS HA . 6909 1 83 . 1 1 45 45 CYS HB2 H 1 2.680 0.003 . 2 . . . . 45 CYS HB2 . 6909 1 84 . 1 1 45 45 CYS HB3 H 1 3.680 0.001 . 2 . . . . 45 CYS HB3 . 6909 1 85 . 1 1 45 45 CYS N N 15 118.260 0.029 . 1 . . . . 45 CYS N . 6909 1 86 . 1 1 46 46 ALA H H 1 6.897 0.004 . 1 . . . . 46 ALA H . 6909 1 87 . 1 1 46 46 ALA HA H 1 4.022 0.001 . 1 . . . . 46 ALA HA . 6909 1 88 . 1 1 46 46 ALA HB1 H 1 1.439 0.003 . 1 . . . . 46 ALA HB1 . 6909 1 89 . 1 1 46 46 ALA HB2 H 1 1.439 0.003 . 1 . . . . 46 ALA HB2 . 6909 1 90 . 1 1 46 46 ALA HB3 H 1 1.439 0.003 . 1 . . . . 46 ALA HB3 . 6909 1 91 . 1 1 46 46 ALA N N 15 120.299 0.030 . 1 . . . . 46 ALA N . 6909 1 92 . 1 1 47 47 LYS H H 1 8.202 0.003 . 1 . . . . 47 LYS H . 6909 1 93 . 1 1 47 47 LYS HA H 1 4.296 0.001 . 1 . . . . 47 LYS HA . 6909 1 94 . 1 1 47 47 LYS HB2 H 1 1.745 0.001 . 2 . . . . 47 LYS HB2 . 6909 1 95 . 1 1 47 47 LYS HB3 H 1 1.845 0.001 . 2 . . . . 47 LYS HB3 . 6909 1 96 . 1 1 47 47 LYS HG2 H 1 1.364 0.009 . 2 . . . . 47 LYS HG2 . 6909 1 97 . 1 1 47 47 LYS HG3 H 1 1.451 0.001 . 2 . . . . 47 LYS HG3 . 6909 1 98 . 1 1 47 47 LYS HD2 H 1 1.668 0.007 . 1 . . . . 47 LYS HD2 . 6909 1 99 . 1 1 47 47 LYS HD3 H 1 1.668 0.007 . 1 . . . . 47 LYS HD3 . 6909 1 100 . 1 1 47 47 LYS HE2 H 1 2.988 0.001 . 1 . . . . 47 LYS HE2 . 6909 1 101 . 1 1 47 47 LYS HE3 H 1 2.988 0.001 . 1 . . . . 47 LYS HE3 . 6909 1 102 . 1 1 47 47 LYS N N 15 116.382 0.004 . 1 . . . . 47 LYS N . 6909 1 103 . 1 1 48 48 ASP H H 1 7.595 0.003 . 1 . . . . 48 ASP H . 6909 1 104 . 1 1 48 48 ASP HA H 1 4.614 0.003 . 1 . . . . 48 ASP HA . 6909 1 105 . 1 1 48 48 ASP HB2 H 1 2.533 0.008 . 2 . . . . 48 ASP HB2 . 6909 1 106 . 1 1 48 48 ASP HB3 H 1 2.465 0.011 . 2 . . . . 48 ASP HB3 . 6909 1 107 . 1 1 48 48 ASP N N 15 117.248 0.011 . 1 . . . . 48 ASP N . 6909 1 108 . 1 1 49 49 CYS H H 1 8.338 0.004 . 1 . . . . 49 CYS H . 6909 1 109 . 1 1 49 49 CYS HA H 1 4.488 0.004 . 1 . . . . 49 CYS HA . 6909 1 110 . 1 1 49 49 CYS HB2 H 1 2.903 0.007 . 1 . . . . 49 CYS HB2 . 6909 1 111 . 1 1 49 49 CYS HB3 H 1 2.903 0.007 . 1 . . . . 49 CYS HB3 . 6909 1 112 . 1 1 49 49 CYS N N 15 122.586 0.050 . 1 . . . . 49 CYS N . 6909 1 113 . 1 1 50 50 VAL H H 1 7.502 0.002 . 1 . . . . 50 VAL H . 6909 1 114 . 1 1 50 50 VAL HA H 1 4.492 0.001 . 1 . . . . 50 VAL HA . 6909 1 115 . 1 1 50 50 VAL HB H 1 2.467 0.002 . 1 . . . . 50 VAL HB . 6909 1 116 . 1 1 50 50 VAL HG11 H 1 1.034 0.003 . 1 . . . . 50 VAL HG11 . 6909 1 117 . 1 1 50 50 VAL HG12 H 1 1.034 0.003 . 1 . . . . 50 VAL HG12 . 6909 1 118 . 1 1 50 50 VAL HG13 H 1 1.034 0.003 . 1 . . . . 50 VAL HG13 . 6909 1 119 . 1 1 50 50 VAL HG21 H 1 0.875 0.002 . 1 . . . . 50 VAL HG21 . 6909 1 120 . 1 1 50 50 VAL HG22 H 1 0.875 0.002 . 1 . . . . 50 VAL HG22 . 6909 1 121 . 1 1 50 50 VAL HG23 H 1 0.875 0.002 . 1 . . . . 50 VAL HG23 . 6909 1 122 . 1 1 50 50 VAL N N 15 125.363 0.017 . 1 . . . . 50 VAL N . 6909 1 123 . 1 1 51 51 CYS H H 1 8.970 0.005 . 1 . . . . 51 CYS H . 6909 1 124 . 1 1 51 51 CYS HA H 1 4.501 0.002 . 1 . . . . 51 CYS HA . 6909 1 125 . 1 1 51 51 CYS HB2 H 1 3.155 0.002 . 2 . . . . 51 CYS HB2 . 6909 1 126 . 1 1 51 51 CYS HB3 H 1 2.537 0.009 . 2 . . . . 51 CYS HB3 . 6909 1 127 . 1 1 51 51 CYS N N 15 125.139 0.022 . 1 . . . . 51 CYS N . 6909 1 128 . 1 1 52 52 LYS H H 1 7.884 0.003 . 1 . . . . 52 LYS H . 6909 1 129 . 1 1 52 52 LYS HA H 1 4.277 0.001 . 1 . . . . 52 LYS HA . 6909 1 130 . 1 1 52 52 LYS HB2 H 1 1.878 0.001 . 2 . . . . 52 LYS HB2 . 6909 1 131 . 1 1 52 52 LYS HB3 H 1 1.776 0.001 . 2 . . . . 52 LYS HB3 . 6909 1 132 . 1 1 52 52 LYS HG2 H 1 1.495 0.001 . 2 . . . . 52 LYS HG2 . 6909 1 133 . 1 1 52 52 LYS HG3 H 1 1.397 0.001 . 2 . . . . 52 LYS HG3 . 6909 1 134 . 1 1 52 52 LYS HD2 H 1 1.670 0.001 . 1 . . . . 52 LYS HD2 . 6909 1 135 . 1 1 52 52 LYS HD3 H 1 1.670 0.001 . 1 . . . . 52 LYS HD3 . 6909 1 136 . 1 1 52 52 LYS HE2 H 1 3.040 0.001 . 1 . . . . 52 LYS HE2 . 6909 1 137 . 1 1 52 52 LYS HE3 H 1 3.040 0.001 . 1 . . . . 52 LYS HE3 . 6909 1 138 . 1 1 52 52 LYS N N 15 119.835 0.049 . 1 . . . . 52 LYS N . 6909 1 139 . 1 1 53 53 GLY H H 1 8.498 0.003 . 1 . . . . 53 GLY H . 6909 1 140 . 1 1 53 53 GLY HA2 H 1 3.939 0.001 . 2 . . . . 53 GLY HA2 . 6909 1 141 . 1 1 53 53 GLY HA3 H 1 4.023 0.001 . 2 . . . . 53 GLY HA3 . 6909 1 142 . 1 1 53 53 GLY N N 15 109.988 0.016 . 1 . . . . 53 GLY N . 6909 1 143 . 1 1 54 54 GLY H H 1 8.212 0.002 . 1 . . . . 54 GLY H . 6909 1 144 . 1 1 54 54 GLY HA2 H 1 4.063 0.005 . 2 . . . . 54 GLY HA2 . 6909 1 145 . 1 1 54 54 GLY HA3 H 1 3.936 0.002 . 2 . . . . 54 GLY HA3 . 6909 1 146 . 1 1 54 54 GLY N N 15 108.951 0.011 . 1 . . . . 54 GLY N . 6909 1 147 . 1 1 55 55 GLU H H 1 8.444 0.002 . 1 . . . . 55 GLU H . 6909 1 148 . 1 1 55 55 GLU HA H 1 4.228 0.001 . 1 . . . . 55 GLU HA . 6909 1 149 . 1 1 55 55 GLU HB2 H 1 2.074 0.003 . 2 . . . . 55 GLU HB2 . 6909 1 150 . 1 1 55 55 GLU HB3 H 1 1.948 0.001 . 2 . . . . 55 GLU HB3 . 6909 1 151 . 1 1 55 55 GLU HG2 H 1 2.269 0.001 . 1 . . . . 55 GLU HG2 . 6909 1 152 . 1 1 55 55 GLU HG3 H 1 2.269 0.001 . 1 . . . . 55 GLU HG3 . 6909 1 153 . 1 1 55 55 GLU N N 15 120.754 0.015 . 1 . . . . 55 GLU N . 6909 1 154 . 1 1 56 56 ALA H H 1 8.242 0.002 . 1 . . . . 56 ALA H . 6909 1 155 . 1 1 56 56 ALA HA H 1 4.295 0.001 . 1 . . . . 56 ALA HA . 6909 1 156 . 1 1 56 56 ALA HB1 H 1 1.393 0.001 . 1 . . . . 56 ALA HB1 . 6909 1 157 . 1 1 56 56 ALA HB2 H 1 1.393 0.001 . 1 . . . . 56 ALA HB2 . 6909 1 158 . 1 1 56 56 ALA HB3 H 1 1.393 0.001 . 1 . . . . 56 ALA HB3 . 6909 1 159 . 1 1 56 56 ALA N N 15 124.041 0.010 . 1 . . . . 56 ALA N . 6909 1 160 . 1 1 57 57 ALA H H 1 8.146 0.002 . 1 . . . . 57 ALA H . 6909 1 161 . 1 1 57 57 ALA HA H 1 4.279 0.008 . 1 . . . . 57 ALA HA . 6909 1 162 . 1 1 57 57 ALA HB1 H 1 1.384 0.001 . 1 . . . . 57 ALA HB1 . 6909 1 163 . 1 1 57 57 ALA HB2 H 1 1.384 0.001 . 1 . . . . 57 ALA HB2 . 6909 1 164 . 1 1 57 57 ALA HB3 H 1 1.384 0.001 . 1 . . . . 57 ALA HB3 . 6909 1 165 . 1 1 57 57 ALA N N 15 122.737 0.008 . 1 . . . . 57 ALA N . 6909 1 166 . 1 1 58 58 GLU H H 1 8.299 0.003 . 1 . . . . 58 GLU H . 6909 1 167 . 1 1 58 58 GLU HA H 1 4.218 0.006 . 1 . . . . 58 GLU HA . 6909 1 168 . 1 1 58 58 GLU HB2 H 1 2.266 0.004 . 2 . . . . 58 GLU HB2 . 6909 1 169 . 1 1 58 58 GLU HB3 H 1 1.946 0.002 . 2 . . . . 58 GLU HB3 . 6909 1 170 . 1 1 58 58 GLU HG2 H 1 2.078 0.001 . 1 . . . . 58 GLU HG2 . 6909 1 171 . 1 1 58 58 GLU HG3 H 1 2.078 0.001 . 1 . . . . 58 GLU HG3 . 6909 1 172 . 1 1 58 58 GLU N N 15 119.377 0.017 . 1 . . . . 58 GLU N . 6909 1 173 . 1 1 59 59 ALA H H 1 8.135 0.002 . 1 . . . . 59 ALA H . 6909 1 174 . 1 1 59 59 ALA HA H 1 4.307 0.006 . 1 . . . . 59 ALA HA . 6909 1 175 . 1 1 59 59 ALA HB1 H 1 1.395 0.001 . 1 . . . . 59 ALA HB1 . 6909 1 176 . 1 1 59 59 ALA HB2 H 1 1.395 0.001 . 1 . . . . 59 ALA HB2 . 6909 1 177 . 1 1 59 59 ALA HB3 H 1 1.395 0.001 . 1 . . . . 59 ALA HB3 . 6909 1 178 . 1 1 59 59 ALA N N 15 123.846 0.013 . 1 . . . . 59 ALA N . 6909 1 179 . 1 1 60 60 GLU H H 1 8.273 0.005 . 1 . . . . 60 GLU H . 6909 1 180 . 1 1 60 60 GLU HA H 1 4.254 0.002 . 1 . . . . 60 GLU HA . 6909 1 181 . 1 1 60 60 GLU HB2 H 1 2.228 0.002 . 2 . . . . 60 GLU HB2 . 6909 1 182 . 1 1 60 60 GLU HB3 H 1 1.945 0.001 . 2 . . . . 60 GLU HB3 . 6909 1 183 . 1 1 60 60 GLU HG2 H 1 2.077 0.001 . 1 . . . . 60 GLU HG2 . 6909 1 184 . 1 1 60 60 GLU HG3 H 1 2.077 0.001 . 1 . . . . 60 GLU HG3 . 6909 1 185 . 1 1 60 60 GLU N N 15 118.880 0.013 . 1 . . . . 60 GLU N . 6909 1 186 . 1 1 61 61 ALA H H 1 8.079 0.002 . 1 . . . . 61 ALA H . 6909 1 187 . 1 1 61 61 ALA HA H 1 4.269 0.001 . 1 . . . . 61 ALA HA . 6909 1 188 . 1 1 61 61 ALA HB1 H 1 1.403 0.001 . 1 . . . . 61 ALA HB1 . 6909 1 189 . 1 1 61 61 ALA HB2 H 1 1.403 0.001 . 1 . . . . 61 ALA HB2 . 6909 1 190 . 1 1 61 61 ALA HB3 H 1 1.403 0.001 . 1 . . . . 61 ALA HB3 . 6909 1 191 . 1 1 61 61 ALA N N 15 123.773 0.031 . 1 . . . . 61 ALA N . 6909 1 192 . 1 1 62 62 GLU H H 1 8.434 0.001 . 1 . . . . 62 GLU H . 6909 1 193 . 1 1 62 62 GLU HA H 1 4.171 0.003 . 1 . . . . 62 GLU HA . 6909 1 194 . 1 1 62 62 GLU HB2 H 1 2.058 0.002 . 2 . . . . 62 GLU HB2 . 6909 1 195 . 1 1 62 62 GLU HB3 H 1 1.950 0.001 . 2 . . . . 62 GLU HB3 . 6909 1 196 . 1 1 62 62 GLU HG2 H 1 2.248 0.005 . 2 . . . . 62 GLU HG2 . 6909 1 197 . 1 1 62 62 GLU HG3 H 1 2.223 0.001 . 2 . . . . 62 GLU HG3 . 6909 1 198 . 1 1 62 62 GLU N N 15 118.577 0.013 . 1 . . . . 62 GLU N . 6909 1 199 . 1 1 63 63 LYS H H 1 7.660 0.003 . 1 . . . . 63 LYS H . 6909 1 200 . 1 1 63 63 LYS HA H 1 4.772 0.001 . 1 . . . . 63 LYS HA . 6909 1 201 . 1 1 63 63 LYS HB2 H 1 1.853 0.002 . 1 . . . . 63 LYS HB2 . 6909 1 202 . 1 1 63 63 LYS HB3 H 1 1.853 0.002 . 1 . . . . 63 LYS HB3 . 6909 1 203 . 1 1 63 63 LYS HG2 H 1 1.415 0.004 . 1 . . . . 63 LYS HG2 . 6909 1 204 . 1 1 63 63 LYS HG3 H 1 1.415 0.004 . 1 . . . . 63 LYS HG3 . 6909 1 205 . 1 1 63 63 LYS HD2 H 1 1.718 0.002 . 1 . . . . 63 LYS HD2 . 6909 1 206 . 1 1 63 63 LYS HD3 H 1 1.718 0.002 . 1 . . . . 63 LYS HD3 . 6909 1 207 . 1 1 63 63 LYS HE2 H 1 2.990 0.001 . 1 . . . . 63 LYS HE2 . 6909 1 208 . 1 1 63 63 LYS HE3 H 1 2.990 0.001 . 1 . . . . 63 LYS HE3 . 6909 1 209 . 1 1 63 63 LYS N N 15 117.650 0.039 . 1 . . . . 63 LYS N . 6909 1 210 . 1 1 64 64 CYS H H 1 8.055 0.002 . 1 . . . . 64 CYS H . 6909 1 211 . 1 1 64 64 CYS HA H 1 5.018 0.001 . 1 . . . . 64 CYS HA . 6909 1 212 . 1 1 64 64 CYS HB2 H 1 3.591 0.007 . 2 . . . . 64 CYS HB2 . 6909 1 213 . 1 1 64 64 CYS HB3 H 1 3.506 0.005 . 2 . . . . 64 CYS HB3 . 6909 1 214 . 1 1 64 64 CYS N N 15 120.709 0.011 . 1 . . . . 64 CYS N . 6909 1 215 . 1 1 65 65 SER HA H 1 4.495 0.001 . 1 . . . . 65 SER HA . 6909 1 216 . 1 1 65 65 SER HB2 H 1 3.890 0.001 . 2 . . . . 65 SER HB2 . 6909 1 217 . 1 1 65 65 SER HB3 H 1 3.943 0.001 . 2 . . . . 65 SER HB3 . 6909 1 218 . 1 1 66 66 CYS H H 1 8.365 0.003 . 1 . . . . 66 CYS H . 6909 1 219 . 1 1 66 66 CYS HA H 1 4.593 0.002 . 1 . . . . 66 CYS HA . 6909 1 220 . 1 1 66 66 CYS HB2 H 1 3.177 0.006 . 1 . . . . 66 CYS HB2 . 6909 1 221 . 1 1 66 66 CYS HB3 H 1 3.177 0.006 . 1 . . . . 66 CYS HB3 . 6909 1 222 . 1 1 66 66 CYS N N 15 118.587 0.073 . 1 . . . . 66 CYS N . 6909 1 223 . 1 1 67 67 CYS H H 1 7.491 0.004 . 1 . . . . 67 CYS H . 6909 1 224 . 1 1 67 67 CYS HA H 1 4.740 0.009 . 1 . . . . 67 CYS HA . 6909 1 225 . 1 1 67 67 CYS HB2 H 1 2.710 0.009 . 2 . . . . 67 CYS HB2 . 6909 1 226 . 1 1 67 67 CYS HB3 H 1 3.131 0.006 . 2 . . . . 67 CYS HB3 . 6909 1 227 . 1 1 67 67 CYS N N 15 120.523 0.010 . 1 . . . . 67 CYS N . 6909 1 228 . 1 1 68 68 GLN H H 1 7.288 0.004 . 1 . . . . 68 GLN H . 6909 1 229 . 1 1 68 68 GLN HA H 1 4.128 0.001 . 1 . . . . 68 GLN HA . 6909 1 230 . 1 1 68 68 GLN HB2 H 1 2.350 0.001 . 2 . . . . 68 GLN HB2 . 6909 1 231 . 1 1 68 68 GLN HB3 H 1 1.941 0.001 . 2 . . . . 68 GLN HB3 . 6909 1 232 . 1 1 68 68 GLN HG2 H 1 2.147 0.001 . 1 . . . . 68 GLN HG2 . 6909 1 233 . 1 1 68 68 GLN HG3 H 1 2.147 0.001 . 1 . . . . 68 GLN HG3 . 6909 1 234 . 1 1 68 68 GLN HE21 H 1 6.867 0.003 . 2 . . . . 68 GLN HE21 . 6909 1 235 . 1 1 68 68 GLN HE22 H 1 7.567 0.001 . 2 . . . . 68 GLN HE22 . 6909 1 stop_ save_