################################### # 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 16941 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _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 2 '2D 1H-1H COSY' . . . 16941 1 3 '2D 1H-1H NOESY' . . . 16941 1 4 '3D HCCH-TOCSY' . . . 16941 1 5 '3D 1H-13C NOESY' . . . 16941 1 6 '2D 1H-1H NOESY' . . . 16941 1 7 '2D 1H-1H NOESY' . . . 16941 1 8 '2D F1fF2f NOESY' . . . 16941 1 9 '2D F1fF2f NOESY' . . . 16941 1 10 '2D F1fF2f TOCSY' . . . 16941 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 2 $NMRPipe . . 16941 1 3 $SPARKY . . 16941 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 3 3 C H1' H 1 5.615 0.011 12 . . . . . 19 C H1' . 16941 1 2 . 1 1 3 3 C H2' H 1 4.680 0.019 9 . . . . . 19 C H2' . 16941 1 3 . 1 1 3 3 C H5 H 1 5.324 0.014 5 1 . . . . 19 C H5 . 16941 1 4 . 1 1 3 3 C H6 H 1 7.700 0.018 7 1 . . . . 19 C H6 . 16941 1 5 . 1 1 4 4 A H61 H 1 7.765 0.012 2 1 . . . . 20 A HN . 16941 1 6 . 1 1 4 4 A H1' H 1 6.062 0.011 19 . . . . . 20 A H1' . 16941 1 7 . 1 1 4 4 A H2 H 1 7.047 0.017 14 1 . . . . 20 A H2 . 16941 1 8 . 1 1 4 4 A H2' H 1 4.807 0.016 11 . . . . . 20 A H2' . 16941 1 9 . 1 1 4 4 A H8 H 1 7.966 0.007 9 1 . . . . 20 A H8 . 16941 1 10 . 1 1 5 5 G H21 H 1 7.304 0.027 2 1 . . . . 21 G HN . 16941 1 11 . 1 1 5 5 G H1 H 1 12.680 0.030 17 1 . . . . 21 G H1 . 16941 1 12 . 1 1 5 5 G H1' H 1 5.571 0.012 17 . . . . . 21 G H1' . 16941 1 13 . 1 1 5 5 G H2' H 1 4.489 0.016 12 . . . . . 21 G H2' . 16941 1 14 . 1 1 5 5 G H8 H 1 6.910 0.003 16 1 . . . . 21 G H8 . 16941 1 15 . 1 1 6 6 A H61 H 1 8.212 0.005 2 1 . . . . 22 A HN . 16941 1 16 . 1 1 6 6 A H1' H 1 6.082 0.016 18 . . . . . 22 A H1' . 16941 1 17 . 1 1 6 6 A H2 H 1 7.058 0.023 11 1 . . . . 22 A H2 . 16941 1 18 . 1 1 6 6 A H2' H 1 4.302 0.008 7 . . . . . 22 A H2' . 16941 1 19 . 1 1 6 6 A H8 H 1 7.798 0.004 13 1 . . . . 22 A H8 . 16941 1 20 . 1 1 7 7 U H1' H 1 5.989 0.003 14 . . . . . 23 U H1' . 16941 1 21 . 1 1 7 7 U H2' H 1 4.852 0.004 9 . . . . . 23 U H2' . 16941 1 22 . 1 1 7 7 U H3 H 1 14.228 0.003 4 1 . . . . 23 U H3 . 16941 1 23 . 1 1 7 7 U H5 H 1 5.152 0.003 8 1 . . . . 23 U H5 . 16941 1 24 . 1 1 7 7 U H6 H 1 7.912 0.004 12 1 . . . . 23 U H6 . 16941 1 25 . 1 1 8 8 C H1' H 1 6.142 0.006 13 . . . . . 24 C H1' . 16941 1 26 . 1 1 8 8 C H2' H 1 4.505 0.006 7 . . . . . 24 C H2' . 16941 1 27 . 1 1 8 8 C H5 H 1 6.174 0.014 4 1 . . . . 24 C H5 . 16941 1 28 . 1 1 8 8 C H6 H 1 7.973 0.003 10 1 . . . . 24 C H6 . 16941 1 29 . 1 1 9 9 U H1' H 1 6.241 0.006 7 . . . . . 25 U H1' . 16941 1 30 . 1 1 9 9 U H2' H 1 4.579 0.006 8 . . . . . 25 U H2' . 16941 1 31 . 1 1 9 9 U H5 H 1 6.030 0.016 2 1 . . . . 25 U H5 . 16941 1 32 . 1 1 9 9 U H6 H 1 8.071 0.004 6 1 . . . . 25 U H6 . 16941 1 33 . 1 1 10 10 G H21 H 1 8.204 0.003 2 1 . . . . 26 G HN . 16941 1 34 . 1 1 10 10 G H1 H 1 12.769 0.018 14 1 . . . . 26 G H1 . 16941 1 35 . 1 1 10 10 G H1' H 1 6.100 0.005 9 . . . . . 26 G H1' . 16941 1 36 . 1 1 10 10 G H2' H 1 5.176 0.007 7 . . . . . 26 G H2' . 16941 1 37 . 1 1 10 10 G H3' H 1 5.168 0.002 3 . . . . . 26 G H3' . 16941 1 38 . 1 1 10 10 G H8 H 1 7.850 0.002 15 1 . . . . 26 G H8 . 16941 1 39 . 1 1 11 11 A H1' H 1 6.111 0.007 8 . . . . . 27 A H1' . 16941 1 40 . 1 1 11 11 A H2 H 1 7.448 0.015 16 1 . . . . 27 A H2 . 16941 1 41 . 1 1 11 11 A H2' H 1 4.802 0.008 7 . . . . . 27 A H2' . 16941 1 42 . 1 1 11 11 A H8 H 1 7.989 0.010 8 1 . . . . 27 A H8 . 16941 1 43 . 1 1 12 12 G H1 H 1 13.831 0.017 15 1 . . . . 28 G H1 . 16941 1 44 . 1 1 12 12 G H1' H 1 6.036 0.006 16 . . . . . 28 G H1' . 16941 1 45 . 1 1 12 12 G H2' H 1 4.700 0.010 7 . . . . . 28 G H2' . 16941 1 46 . 1 1 12 12 G H8 H 1 7.830 0.005 7 1 . . . . 28 G H8 . 16941 1 47 . 1 1 13 13 C H1' H 1 5.612 0.004 8 . . . . . 29 C H1' . 16941 1 48 . 1 1 13 13 C H2' H 1 4.419 0.006 12 . . . . . 29 C H2' . 16941 1 49 . 1 1 13 13 C H5 H 1 5.276 0.013 4 1 . . . . 29 C H5 . 16941 1 50 . 1 1 13 13 C H6 H 1 7.656 0.013 15 1 . . . . 29 C H6 . 16941 1 51 . 1 1 14 14 C H1' H 1 5.798 0.007 16 . . . . . 30 C H1' . 16941 1 52 . 1 1 14 14 C H2' H 1 4.474 0.004 8 . . . . . 30 C H2' . 16941 1 53 . 1 1 14 14 C H5 H 1 5.559 0.003 2 1 . . . . 30 C H5 . 16941 1 54 . 1 1 14 14 C H6 H 1 7.715 0.002 7 1 . . . . 30 C H6 . 16941 1 55 . 1 1 15 15 U H1' H 1 5.646 0.004 8 . . . . . 31 U H1' . 16941 1 56 . 1 1 15 15 U H2' H 1 4.365 0.007 10 . . . . . 31 U H2' . 16941 1 57 . 1 1 15 15 U H6 H 1 7.818 0.004 8 1 . . . . 31 U H6 . 16941 1 58 . 1 1 16 16 G H1' H 1 5.554 0.002 6 . . . . . 32 G H1' . 16941 1 59 . 1 1 16 16 G H2' H 1 4.677 0.000 1 . . . . . 32 G H2' . 16941 1 60 . 1 1 16 16 G H8 H 1 7.839 0.013 5 1 . . . . 32 G H8 . 16941 1 61 . 1 1 17 17 G H1' H 1 5.828 0.009 4 . . . . . 33 G H1' . 16941 1 62 . 1 1 17 17 G H2' H 1 4.869 0.000 1 . . . . . 33 G H2' . 16941 1 63 . 1 1 17 17 G H8 H 1 7.891 0.001 6 1 . . . . 33 G H8 . 16941 1 64 . 1 1 18 18 G H1' H 1 6.033 0.005 15 . . . . . 34 G H1' . 16941 1 65 . 1 1 18 18 G H2' H 1 5.063 0.006 10 . . . . . 34 G H2' . 16941 1 66 . 1 1 18 18 G H8 H 1 8.089 0.005 15 1 . . . . 34 G H8 . 16941 1 67 . 1 1 19 19 A H1' H 1 6.221 0.007 12 . . . . . 35 A H1' . 16941 1 68 . 1 1 19 19 A H2 H 1 8.296 0.002 10 1 . . . . 35 A H2 . 16941 1 69 . 1 1 19 19 A H2' H 1 4.939 0.000 1 . . . . . 35 A H2' . 16941 1 70 . 1 1 19 19 A H4' H 1 4.703 0.000 1 . . . . . 35 A H4' . 16941 1 71 . 1 1 19 19 A H5' H 1 4.445 0.000 1 . . . . . 35 A H5' . 16941 1 72 . 1 1 19 19 A H5'' H 1 4.349 0.000 1 2 . . . . 35 A H5'' . 16941 1 73 . 1 1 19 19 A H8 H 1 8.514 0.006 16 1 . . . . 35 A H8 . 16941 1 74 . 1 1 20 20 G H1 H 1 13.285 0.020 9 1 . . . . 36 G H1 . 16941 1 75 . 1 1 20 20 G H1' H 1 5.819 0.007 9 . . . . . 36 G H1' . 16941 1 76 . 1 1 20 20 G H2' H 1 4.821 0.025 6 . . . . . 36 G H2' . 16941 1 77 . 1 1 20 20 G H8 H 1 7.877 0.007 5 1 . . . . 36 G H8 . 16941 1 78 . 1 1 21 21 C H1' H 1 5.751 0.010 11 . . . . . 37 C H1' . 16941 1 79 . 1 1 21 21 C H2' H 1 4.719 0.008 8 . . . . . 37 C H2' . 16941 1 80 . 1 1 21 21 C H5 H 1 5.320 0.002 4 1 . . . . 37 C H5 . 16941 1 81 . 1 1 21 21 C H6 H 1 7.916 0.002 7 1 . . . . 37 C H6 . 16941 1 82 . 1 1 22 22 U H1' H 1 5.808 0.016 11 . . . . . 38 U H1' . 16941 1 83 . 1 1 22 22 U H2' H 1 4.865 0.004 7 . . . . . 38 U H2' . 16941 1 84 . 1 1 22 22 U H3 H 1 14.477 0.018 14 1 . . . . 38 U H3 . 16941 1 85 . 1 1 22 22 U H5 H 1 5.579 0.014 5 1 . . . . 38 U H5 . 16941 1 86 . 1 1 22 22 U H6 H 1 7.837 0.012 10 1 . . . . 38 U H6 . 16941 1 87 . 1 1 23 23 C H1' H 1 5.264 0.010 15 . . . . . 39 C H1' . 16941 1 88 . 1 1 23 23 C H2' H 1 4.604 0.006 13 . . . . . 39 C H2' . 16941 1 89 . 1 1 23 23 C H3' H 1 4.044 0.014 6 . . . . . 39 C H3' . 16941 1 90 . 1 1 23 23 C H5 H 1 5.691 0.026 8 1 . . . . 39 C H5 . 16941 1 91 . 1 1 23 23 C H6 H 1 7.629 0.021 19 1 . . . . 39 C H6 . 16941 1 92 . 1 1 24 24 U H1' H 1 5.587 0.005 13 . . . . . 40 U H1' . 16941 1 93 . 1 1 24 24 U H2' H 1 4.532 0.014 9 . . . . . 40 U H2' . 16941 1 94 . 1 1 24 24 U H3 H 1 14.257 0.011 16 1 . . . . 40 U H3 . 16941 1 95 . 1 1 24 24 U H5 H 1 5.537 0.004 4 1 . . . . 40 U H5 . 16941 1 96 . 1 1 24 24 U H6 H 1 8.045 0.019 19 1 . . . . 40 U H6 . 16941 1 97 . 1 1 25 25 C H1' H 1 5.573 0.011 14 . . . . . 41 C H1' . 16941 1 98 . 1 1 25 25 C H2' H 1 4.309 0.007 12 . . . . . 41 C H2' . 16941 1 99 . 1 1 25 25 C H5 H 1 5.774 0.010 8 1 . . . . 41 C H5 . 16941 1 100 . 1 1 25 25 C H6 H 1 7.994 0.024 8 1 . . . . 41 C H6 . 16941 1 101 . 1 1 26 26 U H1' H 1 5.547 0.008 13 . . . . . 42 U H1' . 16941 1 102 . 1 1 26 26 U H2' H 1 4.654 0.022 8 . . . . . 42 U H2' . 16941 1 103 . 1 1 26 26 U H3 H 1 13.422 0.016 9 1 . . . . 42 U H3 . 16941 1 104 . 1 1 26 26 U H5 H 1 5.419 0.006 4 1 . . . . 42 U H5 . 16941 1 105 . 1 1 26 26 U H6 H 1 7.948 0.023 9 1 . . . . 42 U H6 . 16941 1 106 . 1 1 27 27 G H1 H 1 12.553 0.020 10 1 . . . . 43 G H1 . 16941 1 107 . 1 1 27 27 G H1' H 1 5.893 0.007 18 . . . . . 43 G H1' . 16941 1 108 . 1 1 27 27 G H2' H 1 4.575 0.014 9 . . . . . 43 G H2' . 16941 1 109 . 1 1 27 27 G H3' H 1 4.696 0.005 2 . . . . . 43 G H3' . 16941 1 110 . 1 1 27 27 G H8 H 1 7.898 0.009 11 1 . . . . 43 G H8 . 16941 1 111 . 1 1 28 28 C H1' H 1 5.578 0.011 14 . . . . . 44 C H1' . 16941 1 112 . 1 1 28 28 C H2' H 1 4.310 0.009 9 . . . . . 44 C H2' . 16941 1 113 . 1 1 28 28 C H5 H 1 5.263 0.009 4 1 . . . . 44 C H5 . 16941 1 114 . 1 1 28 28 C H6 H 1 7.791 0.011 12 1 . . . . 44 C H6 . 16941 1 115 . 1 1 29 29 C H1' H 1 5.828 0.016 10 . . . . . 45 C H1' . 16941 1 116 . 1 1 29 29 C H2' H 1 4.084 0.007 9 . . . . . 45 C H2' . 16941 1 117 . 1 1 29 29 C H4' H 1 4.245 0.001 2 . . . . . 45 C H4' . 16941 1 118 . 1 1 29 29 C H6 H 1 7.753 0.008 10 1 . . . . 45 C H6 . 16941 1 119 . 2 2 1 1 ARG H H 1 8.009 0.003 14 1 . . . . 1 R HN . 16941 1 120 . 2 2 1 1 ARG HA H 1 4.687 0.004 19 1 . . . . 1 R HA . 16941 1 121 . 2 2 1 1 ARG HB2 H 1 1.978 0.004 12 2 . . . . 1 R HB2 . 16941 1 122 . 2 2 1 1 ARG HB3 H 1 1.978 0.004 12 2 . . . . 1 R HB3 . 16941 1 123 . 2 2 1 1 ARG HD2 H 1 3.421 0.005 14 . . . . . 1 R HD1 . 16941 1 124 . 2 2 1 1 ARG HD3 H 1 3.293 0.013 12 2 . . . . 1 R HD2 . 16941 1 125 . 2 2 1 1 ARG HG2 H 1 1.673 0.011 13 2 . . . . 1 R HG . 16941 1 126 . 2 2 1 1 ARG HG3 H 1 1.673 0.011 13 2 . . . . 1 R HG . 16941 1 127 . 2 2 1 1 ARG HH11 H 1 7.449 0.002 6 2 . . . . 1 R HH1* . 16941 1 128 . 2 2 1 1 ARG HH12 H 1 7.449 0.002 6 2 . . . . 1 R HH1* . 16941 1 129 . 2 2 1 1 ARG HH21 H 1 6.974 0.014 2 2 . . . . 1 R HH2* . 16941 1 130 . 2 2 1 1 ARG HH22 H 1 6.974 0.014 2 2 . . . . 1 R HH2* . 16941 1 131 . 2 2 2 2 VAL H H 1 8.705 0.004 11 1 . . . . 2 V HN . 16941 1 132 . 2 2 2 2 VAL HA H 1 4.798 0.003 7 1 . . . . 2 V HA . 16941 1 133 . 2 2 2 2 VAL HB H 1 1.890 0.004 6 1 . . . . 2 V HB . 16941 1 134 . 2 2 2 2 VAL HG11 H 1 0.755 0.020 18 2 . . . . 2 V HG1 . 16941 1 135 . 2 2 2 2 VAL HG12 H 1 0.755 0.020 18 2 . . . . 2 V HG1 . 16941 1 136 . 2 2 2 2 VAL HG13 H 1 0.755 0.020 18 2 . . . . 2 V HG1 . 16941 1 137 . 2 2 2 2 VAL HG21 H 1 0.836 0.003 13 2 . . . . 2 V HG2 . 16941 1 138 . 2 2 2 2 VAL HG22 H 1 0.836 0.003 13 2 . . . . 2 V HG2 . 16941 1 139 . 2 2 2 2 VAL HG23 H 1 0.836 0.003 13 2 . . . . 2 V HG2 . 16941 1 140 . 2 2 3 3 ARG HA H 1 4.775 0.009 11 1 . . . . 3 R HA . 16941 1 141 . 2 2 3 3 ARG HB2 H 1 1.812 0.003 5 2 . . . . 3 R HB2 . 16941 1 142 . 2 2 3 3 ARG HB3 H 1 1.812 0.003 5 2 . . . . 3 R HB3 . 16941 1 143 . 2 2 3 3 ARG HD2 H 1 3.104 0.001 6 . . . . . 3 R HD1 . 16941 1 144 . 2 2 3 3 ARG HD3 H 1 3.327 0.008 9 2 . . . . 3 R HD2 . 16941 1 145 . 2 2 3 3 ARG HG2 H 1 1.648 0.010 8 . . . . . 3 R HG1 . 16941 1 146 . 2 2 3 3 ARG HG3 H 1 1.477 0.007 11 2 . . . . 3 R HG2 . 16941 1 147 . 2 2 3 3 ARG HH11 H 1 7.369 0.000 1 . . . . . 3 R HH1* . 16941 1 148 . 2 2 3 3 ARG HH12 H 1 7.369 0.000 1 . . . . . 3 R HH1* . 16941 1 149 . 2 2 4 4 CYS H H 1 9.311 0.012 6 1 . . . . 4 C HN . 16941 1 150 . 2 2 4 4 CYS HA H 1 5.867 0.004 20 1 . . . . 4 C HA . 16941 1 151 . 2 2 4 4 CYS HB2 H 1 3.103 0.013 8 . . . . . 4 C HB1 . 16941 1 152 . 2 2 4 4 CYS HB3 H 1 2.761 0.008 10 2 . . . . 4 C HB2 . 16941 1 153 . 2 2 5 5 ARG H H 1 9.213 0.002 5 1 . . . . 5 R HN . 16941 1 154 . 2 2 5 5 ARG HA H 1 4.802 0.010 8 1 . . . . 5 R HA . 16941 1 155 . 2 2 5 5 ARG HB2 H 1 2.125 0.005 7 . . . . . 5 R HB1 . 16941 1 156 . 2 2 5 5 ARG HB3 H 1 1.664 0.002 4 2 . . . . 5 R HB2 . 16941 1 157 . 2 2 5 5 ARG HD2 H 1 2.913 0.006 6 . . . . . 5 R HD2 . 16941 1 158 . 2 2 5 5 ARG HD3 H 1 2.902 0.000 1 2 . . . . 5 R HD3 . 16941 1 159 . 2 2 5 5 ARG HG2 H 1 1.514 0.022 3 . . . . . 5 R HG1 . 16941 1 160 . 2 2 5 5 ARG HG3 H 1 1.615 0.005 5 2 . . . . 5 R HG2 . 16941 1 161 . 2 2 6 6 GLN H H 1 8.431 0.007 7 1 . . . . 6 Q HN . 16941 1 162 . 2 2 6 6 GLN HA H 1 4.992 0.005 10 1 . . . . 6 Q HA . 16941 1 163 . 2 2 6 6 GLN HB2 H 1 2.092 0.010 13 2 . . . . 6 Q HB2 . 16941 1 164 . 2 2 6 6 GLN HB3 H 1 2.092 0.010 13 2 . . . . 6 Q HB3 . 16941 1 165 . 2 2 6 6 GLN HG2 H 1 2.422 0.004 9 . . . . . 6 Q HG1 . 16941 1 166 . 2 2 6 6 GLN HG3 H 1 2.301 0.010 9 2 . . . . 6 Q HG2 . 16941 1 167 . 2 2 6 6 GLN HE21 H 1 7.742 0.008 10 . . . . . 6 Q HN1 . 16941 1 168 . 2 2 6 6 GLN HE22 H 1 6.826 0.004 7 . . . . . 6 Q HN2 . 16941 1 169 . 2 2 7 7 ARG H H 1 9.111 0.009 9 1 . . . . 7 R HN . 16941 1 170 . 2 2 7 7 ARG HA H 1 4.342 0.005 15 1 . . . . 7 R HA . 16941 1 171 . 2 2 7 7 ARG HB2 H 1 1.739 0.001 6 . . . . . 7 R HB1 . 16941 1 172 . 2 2 7 7 ARG HB3 H 1 1.746 0.000 2 2 . . . . 7 R HB2 . 16941 1 173 . 2 2 7 7 ARG HD2 H 1 2.955 0.001 3 . . . . . 7 R HD1 . 16941 1 174 . 2 2 7 7 ARG HD3 H 1 2.579 0.010 8 2 . . . . 7 R HD2 . 16941 1 175 . 2 2 7 7 ARG HG2 H 1 1.308 0.011 15 2 . . . . 7 R HG . 16941 1 176 . 2 2 7 7 ARG HG3 H 1 1.308 0.011 15 2 . . . . 7 R HG . 16941 1 177 . 2 2 8 8 LYS H H 1 9.733 0.006 4 1 . . . . 8 K HN . 16941 1 178 . 2 2 8 8 LYS HA H 1 3.779 0.006 10 1 . . . . 8 K HA . 16941 1 179 . 2 2 8 8 LYS HB2 H 1 1.885 0.004 4 2 . . . . 8 K HB2 . 16941 1 180 . 2 2 8 8 LYS HB3 H 1 1.885 0.004 4 2 . . . . 8 K HB3 . 16941 1 181 . 2 2 8 8 LYS HD2 H 1 1.662 0.002 4 . . . . . 8 K HD1 . 16941 1 182 . 2 2 8 8 LYS HD3 H 1 1.717 0.012 5 2 . . . . 8 K HD2 . 16941 1 183 . 2 2 8 8 LYS HE2 H 1 3.071 0.017 5 . . . . . 8 K HE1 . 16941 1 184 . 2 2 8 8 LYS HG2 H 1 1.344 0.011 6 . . . . . 8 K HG1 . 16941 1 185 . 2 2 8 8 LYS HG3 H 1 1.409 0.005 2 2 . . . . 8 K HG2 . 16941 1 186 . 2 2 8 8 LYS HZ1 H 1 7.699 0.001 5 . . . . . 8 K NH3 . 16941 1 187 . 2 2 8 8 LYS HZ2 H 1 7.699 0.001 5 . . . . . 8 K NH3 . 16941 1 188 . 2 2 8 8 LYS HZ3 H 1 7.699 0.001 5 . . . . . 8 K NH3 . 16941 1 189 . 2 2 9 9 GLY H H 1 7.851 0.008 4 1 . . . . 9 G HN . 16941 1 190 . 2 2 9 9 GLY HA2 H 1 4.236 0.011 3 . . . . . 9 G HA1 . 16941 1 191 . 2 2 9 9 GLY HA3 H 1 3.720 0.001 2 2 . . . . 9 G HA2 . 16941 1 192 . 2 2 10 10 ARG H H 1 9.114 0.009 6 1 . . . . 10 R HN . 16941 1 193 . 2 2 10 10 ARG HA H 1 4.734 0.016 11 1 . . . . 10 R HA . 16941 1 194 . 2 2 10 10 ARG HB2 H 1 1.970 0.004 7 . . . . . 10 R HB1 . 16941 1 195 . 2 2 10 10 ARG HB3 H 1 1.858 0.006 7 2 . . . . 10 R HB2 . 16941 1 196 . 2 2 10 10 ARG HD2 H 1 3.093 0.003 7 . . . . . 10 R HD1 . 16941 1 197 . 2 2 10 10 ARG HD3 H 1 2.962 0.005 9 2 . . . . 10 R HD2 . 16941 1 198 . 2 2 10 10 ARG HE H 1 7.743 0.000 1 1 . . . . 10 R HE . 16941 1 199 . 2 2 10 10 ARG HG2 H 1 1.697 0.000 3 . . . . . 10 R HG1 . 16941 1 200 . 2 2 10 10 ARG HG3 H 1 1.473 0.011 2 2 . . . . 10 R HG2 . 16941 1 201 . 2 2 10 10 ARG HH11 H 1 7.373 0.006 2 . . . . . 10 R HH1* . 16941 1 202 . 2 2 10 10 ARG HH12 H 1 7.373 0.006 2 . . . . . 10 R HH1* . 16941 1 203 . 2 2 11 11 ARG H H 1 9.028 0.024 6 1 . . . . 11 R HN . 16941 1 204 . 2 2 11 11 ARG HA H 1 4.789 0.007 6 1 . . . . 11 R HA . 16941 1 205 . 2 2 11 11 ARG HB2 H 1 1.897 0.001 2 . . . . . 11 R HB1 . 16941 1 206 . 2 2 11 11 ARG HB3 H 1 1.804 0.002 2 2 . . . . 11 R HB2 . 16941 1 207 . 2 2 11 11 ARG HD2 H 1 3.240 0.006 15 2 . . . . 11 R HD . 16941 1 208 . 2 2 11 11 ARG HD3 H 1 3.240 0.006 15 2 . . . . 11 R HD . 16941 1 209 . 2 2 11 11 ARG HG2 H 1 1.621 0.005 3 2 . . . . 11 R HG . 16941 1 210 . 2 2 11 11 ARG HG3 H 1 1.621 0.005 3 2 . . . . 11 R HG . 16941 1 211 . 2 2 12 12 ILE H H 1 9.228 0.002 2 1 . . . . 12 I HN . 16941 1 212 . 2 2 12 12 ILE HA H 1 4.684 0.008 5 1 . . . . 12 I HA . 16941 1 213 . 2 2 12 12 ILE HB H 1 1.802 0.010 4 1 . . . . 12 I HB . 16941 1 214 . 2 2 12 12 ILE HD11 H 1 0.834 0.007 7 . . . . . 12 I HD . 16941 1 215 . 2 2 12 12 ILE HD12 H 1 0.834 0.007 7 . . . . . 12 I HD . 16941 1 216 . 2 2 12 12 ILE HD13 H 1 0.834 0.007 7 . . . . . 12 I HD . 16941 1 217 . 2 2 12 12 ILE HG12 H 1 0.991 0.000 1 . . . . . 12 I HG1# . 16941 1 218 . 2 2 12 12 ILE HG13 H 1 0.991 0.000 1 . . . . . 12 I HG1# . 16941 1 219 . 2 2 12 12 ILE HG21 H 1 0.898 0.002 10 . . . . . 12 I HG2# . 16941 1 220 . 2 2 12 12 ILE HG22 H 1 0.898 0.002 10 . . . . . 12 I HG2# . 16941 1 221 . 2 2 12 12 ILE HG23 H 1 0.898 0.002 10 . . . . . 12 I HG2# . 16941 1 222 . 2 2 13 13 CYS H H 1 9.264 0.017 4 1 . . . . 13 C HN . 16941 1 223 . 2 2 13 13 CYS HA H 1 5.591 0.004 20 1 . . . . 13 C HA . 16941 1 224 . 2 2 13 13 CYS HB2 H 1 2.966 0.011 12 . . . . . 13 C HB1 . 16941 1 225 . 2 2 13 13 CYS HB3 H 1 2.563 0.006 12 2 . . . . 13 C HB2 . 16941 1 226 . 2 2 14 14 ILE H H 1 9.091 0.015 11 1 . . . . 14 I HN . 16941 1 227 . 2 2 14 14 ILE HA H 1 4.608 0.008 21 1 . . . . 14 I HA . 16941 1 228 . 2 2 14 14 ILE HB H 1 1.922 0.005 9 1 . . . . 14 I HB . 16941 1 229 . 2 2 14 14 ILE HD11 H 1 0.917 0.003 5 . . . . . 14 I HD . 16941 1 230 . 2 2 14 14 ILE HD12 H 1 0.917 0.003 5 . . . . . 14 I HD . 16941 1 231 . 2 2 14 14 ILE HD13 H 1 0.917 0.003 5 . . . . . 14 I HD . 16941 1 232 . 2 2 14 14 ILE HG12 H 1 1.490 0.003 9 . . . . . 14 I HG11 . 16941 1 233 . 2 2 14 14 ILE HG13 H 1 1.220 0.005 8 2 . . . . 14 I HG12 . 16941 1 234 . 2 2 14 14 ILE HG21 H 1 0.989 0.006 7 1 . . . . 14 I HG2 . 16941 1 235 . 2 2 14 14 ILE HG22 H 1 0.989 0.006 7 1 . . . . 14 I HG2 . 16941 1 236 . 2 2 14 14 ILE HG23 H 1 0.989 0.006 7 1 . . . . 14 I HG2 . 16941 1 237 . 2 2 15 15 ARG H H 1 8.914 0.006 22 1 . . . . 15 R HN . 16941 1 238 . 2 2 15 15 ARG HA H 1 4.958 0.006 11 1 . . . . 15 R HA . 16941 1 239 . 2 2 15 15 ARG HB2 H 1 1.946 0.003 3 . . . . . 15 R HB1 . 16941 1 240 . 2 2 15 15 ARG HB3 H 1 1.839 0.000 1 2 . . . . 15 R HB2 . 16941 1 241 . 2 2 15 15 ARG HD2 H 1 3.283 0.020 7 . . . . . 15 R HD1 . 16941 1 242 . 2 2 15 15 ARG HD3 H 1 3.213 0.019 4 2 . . . . 15 R HD2 . 16941 1 243 . 2 2 15 15 ARG HE H 1 7.450 0.003 10 1 . . . . 15 R HE . 16941 1 244 . 2 2 15 15 ARG HG2 H 1 1.736 0.000 1 . . . . . 15 R HG1 . 16941 1 245 . 2 2 15 15 ARG HG3 H 1 1.611 0.004 2 2 . . . . 15 R HG2 . 16941 1 246 . 2 2 15 15 ARG HH11 H 1 6.994 0.005 5 . . . . . 15 R HH1* . 16941 1 247 . 2 2 15 15 ARG HH12 H 1 6.994 0.005 5 . . . . . 15 R HH1* . 16941 1 248 . 2 2 15 15 ARG HH21 H 1 6.565 0.003 6 . . . . . 15 R HH2* . 16941 1 249 . 2 2 15 15 ARG HH22 H 1 6.565 0.003 6 . . . . . 15 R HH2* . 16941 1 250 . 2 2 16 16 ILE H H 1 9.072 0.003 2 1 . . . . 16 I HN . 16941 1 251 . 2 2 16 16 ILE HA H 1 4.636 0.004 14 1 . . . . 16 I HA . 16941 1 252 . 2 2 16 16 ILE HB H 1 1.850 0.003 12 1 . . . . 16 I HB . 16941 1 253 . 2 2 16 16 ILE HD11 H 1 0.905 0.004 12 . . . . . 16 I HD . 16941 1 254 . 2 2 16 16 ILE HD12 H 1 0.905 0.004 12 . . . . . 16 I HD . 16941 1 255 . 2 2 16 16 ILE HD13 H 1 0.905 0.004 12 . . . . . 16 I HD . 16941 1 256 . 2 2 16 16 ILE HG12 H 1 1.485 0.002 6 . . . . . 16 I HG11 . 16941 1 257 . 2 2 16 16 ILE HG13 H 1 1.152 0.002 4 2 . . . . 16 I HG12 . 16941 1 258 . 2 2 16 16 ILE HG21 H 1 0.998 0.001 6 1 . . . . 16 I HG2 . 16941 1 259 . 2 2 16 16 ILE HG22 H 1 0.998 0.001 6 1 . . . . 16 I HG2 . 16941 1 260 . 2 2 16 16 ILE HG23 H 1 0.998 0.001 6 1 . . . . 16 I HG2 . 16941 1 261 . 2 2 17 17 DPR H H 1 7.194 0.026 2 1 . . . . 17 X HN . 16941 1 262 . 2 2 17 17 DPR HA H 1 4.641 0.003 16 1 . . . . 17 X HA . 16941 1 263 . 2 2 17 17 DPR HB2 H 1 2.341 0.005 9 . . . . . 17 X HB1 . 16941 1 264 . 2 2 17 17 DPR HB3 H 1 2.247 0.004 9 2 . . . . 17 X HB2 . 16941 1 265 . 2 2 17 17 DPR HD2 H 1 4.152 0.003 17 . . . . . 17 X HD1 . 16941 1 266 . 2 2 17 17 DPR HD3 H 1 3.853 0.002 10 2 . . . . 17 X HD2 . 16941 1 267 . 2 2 17 17 DPR HG2 H 1 2.056 0.004 11 . . . . . 17 X HG1 . 16941 1 268 . 2 2 17 17 DPR HG3 H 1 2.197 0.005 9 2 . . . . 17 X HG2 . 16941 1 269 . 2 2 18 18 PRO HA H 1 4.905 0.007 5 1 . . . . 18 P HA . 16941 1 270 . 2 2 18 18 PRO HB2 H 1 2.408 0.003 11 . . . . . 18 P HB1 . 16941 1 271 . 2 2 18 18 PRO HB3 H 1 2.017 0.003 9 2 . . . . 18 P HB2 . 16941 1 272 . 2 2 18 18 PRO HD2 H 1 3.987 0.002 20 . . . . . 18 P HD1 . 16941 1 273 . 2 2 18 18 PRO HD3 H 1 3.592 0.003 22 2 . . . . 18 P HD2 . 16941 1 274 . 2 2 18 18 PRO HG2 H 1 2.247 0.001 10 . . . . . 18 P HG1 . 16941 1 275 . 2 2 18 18 PRO HG3 H 1 2.133 0.001 11 2 . . . . 18 P HG2 . 16941 1 stop_ save_