################################### # 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_13C _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_13C _Assigned_chem_shift_list.Entry_ID 15153 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Standard _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 '3D CBCA(CO)NH' . . . 15153 1 2 '3D CBCANH' . . . 15153 1 6 '3D 1H-13C NOESY' . . . 15153 1 7 '3D 1H-13C TOCSY' . . . 15153 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 $TOPSPIN . . 15153 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.604 0.052 . 1 . . . . . 1 GLY HA1 . 15153 1 2 . 1 1 1 1 GLY CA C 13 40.956 0.200 . 1 . . . . . 1 GLY CA . 15153 1 3 . 1 1 2 2 ALA HA H 1 4.083 0.050 . 1 . . . . . 2 ALA HA . 15153 1 4 . 1 1 2 2 ALA HB1 H 1 1.098 0.050 . 1 . . . . . 2 ALA QB . 15153 1 5 . 1 1 2 2 ALA HB2 H 1 1.098 0.050 . 1 . . . . . 2 ALA QB . 15153 1 6 . 1 1 2 2 ALA HB3 H 1 1.098 0.050 . 1 . . . . . 2 ALA QB . 15153 1 7 . 1 1 2 2 ALA CA C 13 50.369 0.200 . 1 . . . . . 2 ALA CA . 15153 1 8 . 1 1 2 2 ALA CB C 13 16.773 0.200 . 1 . . . . . 2 ALA CB . 15153 1 9 . 1 1 3 3 MET HA H 1 4.374 0.051 . 1 . . . . . 3 MET HA . 15153 1 10 . 1 1 3 3 MET HB2 H 1 1.859 0.050 . 1 . . . . . 3 MET HB2 . 15153 1 11 . 1 1 3 3 MET HB3 H 1 1.759 0.050 . 1 . . . . . 3 MET HB3 . 15153 1 12 . 1 1 3 3 MET HG2 H 1 2.391 0.050 . 1 . . . . . 3 MET HG2 . 15153 1 13 . 1 1 3 3 MET HG3 H 1 2.310 0.050 . 1 . . . . . 3 MET HG3 . 15153 1 14 . 1 1 3 3 MET CA C 13 52.827 0.200 . 1 . . . . . 3 MET CA . 15153 1 15 . 1 1 3 3 MET CB C 13 31.800 0.200 . 1 . . . . . 3 MET CB . 15153 1 16 . 1 1 3 3 MET CG C 13 29.900 0.200 . 1 . . . . . 3 MET CG . 15153 1 17 . 1 1 4 4 GLY HA2 H 1 3.889 0.053 . 2 . . . . . 4 GLY HA1 . 15153 1 18 . 1 1 4 4 GLY CA C 13 42.556 0.200 . 1 . . . . . 4 GLY CA . 15153 1 19 . 1 1 5 5 PRO HA H 1 4.284 0.050 . 1 . . . . . 5 PRO HA . 15153 1 20 . 1 1 5 5 PRO HB2 H 1 2.084 0.050 . 1 . . . . . 5 PRO HB2 . 15153 1 21 . 1 1 5 5 PRO HB3 H 1 1.718 0.051 . 1 . . . . . 5 PRO HB3 . 15153 1 22 . 1 1 5 5 PRO HG2 H 1 1.804 0.051 . 1 . . . . . 5 PRO HG2 . 15153 1 23 . 1 1 5 5 PRO HG3 H 1 1.745 0.050 . 1 . . . . . 5 PRO HG3 . 15153 1 24 . 1 1 5 5 PRO HD2 H 1 3.390 0.052 . 1 . . . . . 5 PRO HD2 . 15153 1 25 . 1 1 5 5 PRO CA C 13 60.221 0.200 . 1 . . . . . 5 PRO CA . 15153 1 26 . 1 1 5 5 PRO CB C 13 29.786 0.200 . 1 . . . . . 5 PRO CB . 15153 1 27 . 1 1 5 5 PRO CG C 13 24.686 0.200 . 1 . . . . . 5 PRO CG . 15153 1 28 . 1 1 5 5 PRO CD C 13 47.511 0.200 . 1 . . . . . 5 PRO CD . 15153 1 29 . 1 1 6 6 LEU HA H 1 3.971 0.054 . 1 . . . . . 6 LEU HA . 15153 1 30 . 1 1 6 6 LEU HB2 H 1 1.610 0.051 . 1 . . . . . 6 LEU HB2 . 15153 1 31 . 1 1 6 6 LEU HB3 H 1 1.232 0.053 . 1 . . . . . 6 LEU HB3 . 15153 1 32 . 1 1 6 6 LEU HG H 1 0.863 0.050 . 1 . . . . . 6 LEU HG . 15153 1 33 . 1 1 6 6 LEU HD11 H 1 0.607 0.050 . 2 . . . . . 6 LEU HD12 . 15153 1 34 . 1 1 6 6 LEU HD12 H 1 0.607 0.050 . 2 . . . . . 6 LEU HD12 . 15153 1 35 . 1 1 6 6 LEU HD13 H 1 0.607 0.050 . 2 . . . . . 6 LEU HD12 . 15153 1 36 . 1 1 6 6 LEU HD21 H 1 0.607 0.050 . 2 . . . . . 6 LEU HD12 . 15153 1 37 . 1 1 6 6 LEU HD22 H 1 0.607 0.050 . 2 . . . . . 6 LEU HD12 . 15153 1 38 . 1 1 6 6 LEU HD23 H 1 0.607 0.050 . 2 . . . . . 6 LEU HD12 . 15153 1 39 . 1 1 6 6 LEU CA C 13 51.915 0.200 . 1 . . . . . 6 LEU CA . 15153 1 40 . 1 1 6 6 LEU CB C 13 39.253 0.200 . 1 . . . . . 6 LEU CB . 15153 1 41 . 1 1 6 6 LEU CG C 13 24.389 0.200 . 1 . . . . . 6 LEU CG . 15153 1 42 . 1 1 6 6 LEU CD1 C 13 21.911 0.200 . 1 . . . . . 6 LEU CD1 . 15153 1 43 . 1 1 7 7 PRO HA H 1 4.617 0.050 . 1 . . . . . 7 PRO HA . 15153 1 44 . 1 1 7 7 PRO HB2 H 1 2.454 0.057 . 1 . . . . . 7 PRO HB2 . 15153 1 45 . 1 1 7 7 PRO HB3 H 1 1.866 0.050 . 1 . . . . . 7 PRO HB3 . 15153 1 46 . 1 1 7 7 PRO HG2 H 1 1.748 0.050 . 1 . . . . . 7 PRO HG2 . 15153 1 47 . 1 1 7 7 PRO HG3 H 1 1.547 0.060 . 1 . . . . . 7 PRO HG3 . 15153 1 48 . 1 1 7 7 PRO HD2 H 1 3.355 0.064 . 1 . . . . . 7 PRO HD2 . 15153 1 49 . 1 1 7 7 PRO HD3 H 1 2.830 0.061 . 1 . . . . . 7 PRO HD3 . 15153 1 50 . 1 1 7 7 PRO CA C 13 59.897 0.200 . 1 . . . . . 7 PRO CA . 15153 1 51 . 1 1 7 7 PRO CB C 13 27.692 0.200 . 1 . . . . . 7 PRO CB . 15153 1 52 . 1 1 7 7 PRO CG C 13 25.765 0.200 . 1 . . . . . 7 PRO CG . 15153 1 53 . 1 1 7 7 PRO CD C 13 48.061 0.200 . 1 . . . . . 7 PRO CD . 15153 1 54 . 1 1 8 8 PRO HA H 1 4.167 0.054 . 1 . . . . . 8 PRO HA . 15153 1 55 . 1 1 8 8 PRO HB2 H 1 2.164 0.062 . 1 . . . . . 8 PRO HB2 . 15153 1 56 . 1 1 8 8 PRO HB3 H 1 1.715 0.050 . 1 . . . . . 8 PRO HB3 . 15153 1 57 . 1 1 8 8 PRO HG2 H 1 1.938 0.050 . 1 . . . . . 8 PRO HG2 . 15153 1 58 . 1 1 8 8 PRO HG3 H 1 1.856 0.050 . 1 . . . . . 8 PRO HG3 . 15153 1 59 . 1 1 8 8 PRO HD2 H 1 3.720 0.051 . 1 . . . . . 8 PRO HD2 . 15153 1 60 . 1 1 8 8 PRO HD3 H 1 3.432 0.050 . 1 . . . . . 8 PRO HD3 . 15153 1 61 . 1 1 8 8 PRO CA C 13 62.318 0.200 . 1 . . . . . 8 PRO CA . 15153 1 62 . 1 1 8 8 PRO CB C 13 29.974 0.200 . 1 . . . . . 8 PRO CB . 15153 1 63 . 1 1 8 8 PRO CG C 13 25.765 0.200 . 1 . . . . . 8 PRO CG . 15153 1 64 . 1 1 8 8 PRO CD C 13 49.162 0.200 . 1 . . . . . 8 PRO CD . 15153 1 65 . 1 1 9 9 GLY HA2 H 1 3.973 0.050 . 1 . . . . . 9 GLY HA1 . 15153 1 66 . 1 1 9 9 GLY HA3 H 1 3.293 0.050 . 1 . . . . . 9 GLY HA2 . 15153 1 67 . 1 1 9 9 GLY CA C 13 42.894 0.050 . 1 . . . . . 9 GLY CA . 15153 1 68 . 1 1 10 10 TRP HA H 1 5.159 0.051 . 1 . . . . . 10 TRP HA . 15153 1 69 . 1 1 10 10 TRP HB2 H 1 3.111 0.053 . 1 . . . . . 10 TRP HB2 . 15153 1 70 . 1 1 10 10 TRP HB3 H 1 2.790 0.053 . 1 . . . . . 10 TRP HB3 . 15153 1 71 . 1 1 10 10 TRP HD1 H 1 6.851 0.066 . 1 . . . . . 10 TRP HD1 . 15153 1 72 . 1 1 10 10 TRP HE3 H 1 7.202 0.059 . 1 . . . . . 10 TRP HE3 . 15153 1 73 . 1 1 10 10 TRP HZ2 H 1 7.289 0.050 . 1 . . . . . 10 TRP HZ2 . 15153 1 74 . 1 1 10 10 TRP HZ3 H 1 6.661 0.050 . 1 . . . . . 10 TRP HZ3 . 15153 1 75 . 1 1 10 10 TRP HH2 H 1 6.852 0.054 . 1 . . . . . 10 TRP HH2 . 15153 1 76 . 1 1 10 10 TRP CA C 13 55.109 0.200 . 1 . . . . . 10 TRP CA . 15153 1 77 . 1 1 10 10 TRP CB C 13 29.887 0.200 . 1 . . . . . 10 TRP CB . 15153 1 78 . 1 1 10 10 TRP CD1 C 13 126.601 0.200 . 1 . . . . . 10 TRP CD1 . 15153 1 79 . 1 1 10 10 TRP CE3 C 13 119.529 0.200 . 1 . . . . . 10 TRP CE3 . 15153 1 80 . 1 1 10 10 TRP CZ2 C 13 114.225 0.200 . 1 . . . . . 10 TRP CZ2 . 15153 1 81 . 1 1 10 10 TRP CZ3 C 13 121.297 0.200 . 1 . . . . . 10 TRP CZ3 . 15153 1 82 . 1 1 10 10 TRP CH2 C 13 124.833 0.200 . 1 . . . . . 10 TRP CH2 . 15153 1 83 . 1 1 11 11 GLU HA H 1 4.496 0.052 . 1 . . . . . 11 GLU HA . 15153 1 84 . 1 1 11 11 GLU HB2 H 1 1.819 0.061 . 1 . . . . . 11 GLU HB2 . 15153 1 85 . 1 1 11 11 GLU HG2 H 1 2.156 0.057 . 1 . . . . . 11 GLU HG2 . 15153 1 86 . 1 1 11 11 GLU HG3 H 1 2.011 0.050 . 1 . . . . . 11 GLU HG3 . 15153 1 87 . 1 1 11 11 GLU CA C 13 52.924 0.200 . 1 . . . . . 11 GLU CA . 15153 1 88 . 1 1 11 11 GLU CB C 13 32.371 0.200 . 1 . . . . . 11 GLU CB . 15153 1 89 . 1 1 11 11 GLU CG C 13 33.831 0.200 . 1 . . . . . 11 GLU CG . 15153 1 90 . 1 1 12 12 LYS HA H 1 4.260 0.057 . 1 . . . . . 12 LYS HA . 15153 1 91 . 1 1 12 12 LYS HB2 H 1 1.527 0.050 . 1 . . . . . 12 LYS HB2 . 15153 1 92 . 1 1 12 12 LYS HB3 H 1 1.361 0.050 . 1 . . . . . 12 LYS HB3 . 15153 1 93 . 1 1 12 12 LYS HG2 H 1 0.759 0.050 . 1 . . . . . 12 LYS HG2 . 15153 1 94 . 1 1 12 12 LYS HG3 H 1 0.689 0.050 . 1 . . . . . 12 LYS HG3 . 15153 1 95 . 1 1 12 12 LYS HD2 H 1 1.467 0.055 . 1 . . . . . 12 LYS HD2 . 15153 1 96 . 1 1 12 12 LYS HD3 H 1 1.375 0.050 . 1 . . . . . 12 LYS HD3 . 15153 1 97 . 1 1 12 12 LYS HE2 H 1 2.668 0.053 . 1 . . . . . 12 LYS HE2 . 15153 1 98 . 1 1 12 12 LYS CA C 13 53.667 0.200 . 1 . . . . . 12 LYS CA . 15153 1 99 . 1 1 12 12 LYS CB C 13 32.003 0.200 . 1 . . . . . 12 LYS CB . 15153 1 100 . 1 1 12 12 LYS CG C 13 22.136 0.200 . 1 . . . . . 12 LYS CG . 15153 1 101 . 1 1 12 12 LYS CD C 13 27.692 0.200 . 1 . . . . . 12 LYS CD . 15153 1 102 . 1 1 12 12 LYS CE C 13 39.528 0.200 . 1 . . . . . 12 LYS CE . 15153 1 103 . 1 1 13 13 ARG HA H 1 4.235 0.051 . 1 . . . . . 13 ARG HA . 15153 1 104 . 1 1 13 13 ARG HB2 H 1 1.148 0.050 . 1 . . . . . 13 ARG HB2 . 15153 1 105 . 1 1 13 13 ARG HB3 H 1 -0.215 0.050 . 1 . . . . . 13 ARG HB3 . 15153 1 106 . 1 1 13 13 ARG HG2 H 1 1.096 0.052 . 1 . . . . . 13 ARG HG2 . 15153 1 107 . 1 1 13 13 ARG HG3 H 1 0.910 0.066 . 1 . . . . . 13 ARG HG3 . 15153 1 108 . 1 1 13 13 ARG HD2 H 1 2.850 0.050 . 1 . . . . . 13 ARG HD2 . 15153 1 109 . 1 1 13 13 ARG HD3 H 1 2.757 0.050 . 1 . . . . . 13 ARG HD3 . 15153 1 110 . 1 1 13 13 ARG CA C 13 51.937 0.200 . 1 . . . . . 13 ARG CA . 15153 1 111 . 1 1 13 13 ARG CB C 13 31.867 0.200 . 1 . . . . . 13 ARG CB . 15153 1 112 . 1 1 13 13 ARG CG C 13 26.040 0.200 . 1 . . . . . 13 ARG CG . 15153 1 113 . 1 1 13 13 ARG CD C 13 40.796 0.200 . 1 . . . . . 13 ARG CD . 15153 1 114 . 1 1 14 14 THR HA H 1 4.905 0.053 . 1 . . . . . 14 THR HA . 15153 1 115 . 1 1 14 14 THR HB H 1 3.628 0.050 . 1 . . . . . 14 THR HB . 15153 1 116 . 1 1 14 14 THR HG21 H 1 0.958 0.051 . 1 . . . . . 14 THR QG2 . 15153 1 117 . 1 1 14 14 THR HG22 H 1 0.958 0.051 . 1 . . . . . 14 THR QG2 . 15153 1 118 . 1 1 14 14 THR HG23 H 1 0.958 0.051 . 1 . . . . . 14 THR QG2 . 15153 1 119 . 1 1 14 14 THR CA C 13 58.598 0.200 . 1 . . . . . 14 THR CA . 15153 1 120 . 1 1 14 14 THR CB C 13 68.500 0.200 . 1 . . . . . 14 THR CB . 15153 1 121 . 1 1 14 14 THR CG2 C 13 19.212 0.200 . 1 . . . . . 14 THR CG2 . 15153 1 122 . 1 1 15 15 ASP HA H 1 4.764 0.051 . 1 . . . . . 15 ASP HA . 15153 1 123 . 1 1 15 15 ASP HB2 H 1 3.311 0.051 . 1 . . . . . 15 ASP HB2 . 15153 1 124 . 1 1 15 15 ASP HB3 H 1 2.661 0.050 . 1 . . . . . 15 ASP HB3 . 15153 1 125 . 1 1 15 15 ASP CA C 13 50.012 0.200 . 1 . . . . . 15 ASP CA . 15153 1 126 . 1 1 15 15 ASP CB C 13 39.277 0.200 . 1 . . . . . 15 ASP CB . 15153 1 127 . 1 1 16 16 SER HA H 1 4.034 0.051 . 1 . . . . . 16 SER HA . 15153 1 128 . 1 1 16 16 SER HB2 H 1 3.807 0.050 . 1 . . . . . 16 SER HB2 . 15153 1 129 . 1 1 16 16 SER HB3 H 1 3.738 0.050 . 1 . . . . . 16 SER HB3 . 15153 1 130 . 1 1 16 16 SER CA C 13 58.796 0.200 . 1 . . . . . 16 SER CA . 15153 1 131 . 1 1 16 16 SER CB C 13 60.998 0.200 . 1 . . . . . 16 SER CB . 15153 1 132 . 1 1 17 17 ASN HA H 1 4.763 0.051 . 1 . . . . . 17 ASN HA . 15153 1 133 . 1 1 17 17 ASN HB2 H 1 2.793 0.052 . 1 . . . . . 17 ASN HB2 . 15153 1 134 . 1 1 17 17 ASN HB3 H 1 2.627 0.050 . 1 . . . . . 17 ASN HB3 . 15153 1 135 . 1 1 17 17 ASN CA C 13 50.601 0.200 . 1 . . . . . 17 ASN CA . 15153 1 136 . 1 1 17 17 ASN CB C 13 37.601 0.200 . 1 . . . . . 17 ASN CB . 15153 1 137 . 1 1 18 18 GLY HA2 H 1 4.030 0.051 . 1 . . . . . 18 GLY HA1 . 15153 1 138 . 1 1 18 18 GLY HA3 H 1 3.385 0.051 . 1 . . . . . 18 GLY HA2 . 15153 1 139 . 1 1 18 18 GLY CA C 13 43.291 0.200 . 1 . . . . . 18 GLY CA . 15153 1 140 . 1 1 19 19 ARG HA H 1 4.236 0.050 . 1 . . . . . 19 ARG HA . 15153 1 141 . 1 1 19 19 ARG HB2 H 1 1.886 0.050 . 1 . . . . . 19 ARG HB2 . 15153 1 142 . 1 1 19 19 ARG HB3 H 1 1.733 0.050 . 1 . . . . . 19 ARG HB3 . 15153 1 143 . 1 1 19 19 ARG HG2 H 1 1.531 0.059 . 1 . . . . . 19 ARG HG2 . 15153 1 144 . 1 1 19 19 ARG HG3 H 1 1.466 0.074 . 1 . . . . . 19 ARG HG3 . 15153 1 145 . 1 1 19 19 ARG HD2 H 1 2.651 0.050 . 1 . . . . . 19 ARG HD2 . 15153 1 146 . 1 1 19 19 ARG HD3 H 1 2.541 0.050 . 1 . . . . . 19 ARG HD3 . 15153 1 147 . 1 1 19 19 ARG CA C 13 54.328 0.201 . 1 . . . . . 19 ARG CA . 15153 1 148 . 1 1 19 19 ARG CB C 13 28.695 0.200 . 1 . . . . . 19 ARG CB . 15153 1 149 . 1 1 19 19 ARG CG C 13 25.400 0.200 . 1 . . . . . 19 ARG CG . 15153 1 150 . 1 1 19 19 ARG CD C 13 41.318 0.200 . 1 . . . . . 19 ARG CD . 15153 1 151 . 1 1 20 20 VAL HA H 1 4.500 0.053 . 1 . . . . . 20 VAL HA . 15153 1 152 . 1 1 20 20 VAL HB H 1 1.714 0.053 . 1 . . . . . 20 VAL HB . 15153 1 153 . 1 1 20 20 VAL HG11 H 1 0.799 0.051 . 1 . . . . . 20 VAL QG1 . 15153 1 154 . 1 1 20 20 VAL HG12 H 1 0.799 0.051 . 1 . . . . . 20 VAL QG1 . 15153 1 155 . 1 1 20 20 VAL HG13 H 1 0.799 0.051 . 1 . . . . . 20 VAL QG1 . 15153 1 156 . 1 1 20 20 VAL HG21 H 1 0.494 0.065 . 1 . . . . . 20 VAL QG2 . 15153 1 157 . 1 1 20 20 VAL HG22 H 1 0.494 0.065 . 1 . . . . . 20 VAL QG2 . 15153 1 158 . 1 1 20 20 VAL HG23 H 1 0.494 0.065 . 1 . . . . . 20 VAL QG2 . 15153 1 159 . 1 1 20 20 VAL CA C 13 59.727 0.200 . 1 . . . . . 20 VAL CA . 15153 1 160 . 1 1 20 20 VAL CB C 13 30.720 0.200 . 1 . . . . . 20 VAL CB . 15153 1 161 . 1 1 20 20 VAL CG1 C 13 19.997 0.200 . 1 . . . . . 20 VAL CG1 . 15153 1 162 . 1 1 21 21 TYR HA H 1 4.619 0.051 . 1 . . . . . 21 TYR HA . 15153 1 163 . 1 1 21 21 TYR HB2 H 1 2.585 0.062 . 1 . . . . . 21 TYR HB2 . 15153 1 164 . 1 1 21 21 TYR HB3 H 1 2.151 0.059 . 1 . . . . . 21 TYR HB3 . 15153 1 165 . 1 1 21 21 TYR HD1 H 1 6.602 0.058 . 2 . . . . . 21 TYR QD . 15153 1 166 . 1 1 21 21 TYR HD2 H 1 6.602 0.058 . 2 . . . . . 21 TYR QD . 15153 1 167 . 1 1 21 21 TYR HE1 H 1 6.116 0.057 . 2 . . . . . 21 TYR QE . 15153 1 168 . 1 1 21 21 TYR HE2 H 1 6.116 0.057 . 2 . . . . . 21 TYR QE . 15153 1 169 . 1 1 21 21 TYR CA C 13 53.830 0.200 . 1 . . . . . 21 TYR CA . 15153 1 170 . 1 1 21 21 TYR CB C 13 37.317 0.200 . 1 . . . . . 21 TYR CB . 15153 1 171 . 1 1 21 21 TYR CD1 C 13 133.673 0.200 . 1 . . . . . 21 TYR CD1 . 15153 1 172 . 1 1 21 21 TYR CE1 C 13 116.582 0.200 . 1 . . . . . 21 TYR CE1 . 15153 1 173 . 1 1 22 22 PHE HA H 1 5.282 0.056 . 1 . . . . . 22 PHE HA . 15153 1 174 . 1 1 22 22 PHE HB2 H 1 2.906 0.051 . 1 . . . . . 22 PHE HB2 . 15153 1 175 . 1 1 22 22 PHE HB3 H 1 2.607 0.050 . 1 . . . . . 22 PHE HB3 . 15153 1 176 . 1 1 22 22 PHE HD1 H 1 6.740 0.062 . 2 . . . . . 22 PHE QD . 15153 1 177 . 1 1 22 22 PHE HD2 H 1 6.740 0.062 . 2 . . . . . 22 PHE QD . 15153 1 178 . 1 1 22 22 PHE HE1 H 1 7.004 0.069 . 1 . . . . . 22 PHE QE . 15153 1 179 . 1 1 22 22 PHE HE2 H 1 7.004 0.069 . 1 . . . . . 22 PHE QE . 15153 1 180 . 1 1 22 22 PHE HZ H 1 7.064 0.051 . 1 . . . . . 22 PHE HZ . 15153 1 181 . 1 1 22 22 PHE CA C 13 54.596 0.200 . 1 . . . . . 22 PHE CA . 15153 1 182 . 1 1 22 22 PHE CB C 13 40.780 0.200 . 1 . . . . . 22 PHE CB . 15153 1 183 . 1 1 22 22 PHE CD1 C 13 132.494 0.200 . 1 . . . . . 22 PHE CD1 . 15153 1 184 . 1 1 22 22 PHE CE1 C 13 129.548 0.200 . 4 . . . . . 22 PHE CE1 . 15153 1 185 . 1 1 22 22 PHE CZ C 13 129.548 0.050 . 4 . . . . . 22 PHE CZ . 15153 1 186 . 1 1 23 23 VAL HA H 1 4.970 0.051 . 1 . . . . . 23 VAL HA . 15153 1 187 . 1 1 23 23 VAL HB H 1 1.607 0.051 . 1 . . . . . 23 VAL HB . 15153 1 188 . 1 1 23 23 VAL HG11 H 1 0.550 0.066 . 1 . . . . . 23 VAL QG1 . 15153 1 189 . 1 1 23 23 VAL HG12 H 1 0.550 0.066 . 1 . . . . . 23 VAL QG1 . 15153 1 190 . 1 1 23 23 VAL HG13 H 1 0.550 0.066 . 1 . . . . . 23 VAL QG1 . 15153 1 191 . 1 1 23 23 VAL HG21 H 1 0.432 0.050 . 1 . . . . . 23 VAL QG2 . 15153 1 192 . 1 1 23 23 VAL HG22 H 1 0.432 0.050 . 1 . . . . . 23 VAL QG2 . 15153 1 193 . 1 1 23 23 VAL HG23 H 1 0.432 0.050 . 1 . . . . . 23 VAL QG2 . 15153 1 194 . 1 1 23 23 VAL CA C 13 57.140 0.200 . 1 . . . . . 23 VAL CA . 15153 1 195 . 1 1 23 23 VAL CB C 13 33.516 0.200 . 1 . . . . . 23 VAL CB . 15153 1 196 . 1 1 23 23 VAL CG1 C 13 18.864 0.200 . 1 . . . . . 23 VAL CG1 . 15153 1 197 . 1 1 23 23 VAL CG2 C 13 17.645 0.200 . 1 . . . . . 23 VAL CG2 . 15153 1 198 . 1 1 24 24 ASN HA H 1 4.176 0.050 . 1 . . . . . 24 ASN HA . 15153 1 199 . 1 1 24 24 ASN HB2 H 1 2.048 0.051 . 1 . . . . . 24 ASN HB2 . 15153 1 200 . 1 1 24 24 ASN HB3 H 1 -0.584 0.072 . 1 . . . . . 24 ASN HB3 . 15153 1 201 . 1 1 24 24 ASN CA C 13 48.662 0.200 . 1 . . . . . 24 ASN CA . 15153 1 202 . 1 1 24 24 ASN CB C 13 35.319 0.200 . 1 . . . . . 24 ASN CB . 15153 1 203 . 1 1 25 25 HIS HA H 1 4.092 0.057 . 1 . . . . . 25 HIS HA . 15153 1 204 . 1 1 25 25 HIS HB2 H 1 2.937 0.050 . 1 . . . . . 25 HIS HB2 . 15153 1 205 . 1 1 25 25 HIS HD2 H 1 6.928 0.057 . 1 . . . . . 25 HIS HD2 . 15153 1 206 . 1 1 25 25 HIS CA C 13 55.549 0.200 . 1 . . . . . 25 HIS CA . 15153 1 207 . 1 1 25 25 HIS CB C 13 26.553 0.200 . 1 . . . . . 25 HIS CB . 15153 1 208 . 1 1 26 26 ASN HA H 1 4.422 0.056 . 1 . . . . . 26 ASN HA . 15153 1 209 . 1 1 26 26 ASN HB2 H 1 2.782 0.051 . 1 . . . . . 26 ASN HB2 . 15153 1 210 . 1 1 26 26 ASN HB3 H 1 2.581 0.050 . 1 . . . . . 26 ASN HB3 . 15153 1 211 . 1 1 26 26 ASN CA C 13 53.238 0.200 . 1 . . . . . 26 ASN CA . 15153 1 212 . 1 1 26 26 ASN CB C 13 36.013 0.200 . 1 . . . . . 26 ASN CB . 15153 1 213 . 1 1 27 27 THR HA H 1 3.979 0.071 . 1 . . . . . 27 THR HA . 15153 1 214 . 1 1 27 27 THR HB H 1 4.030 0.050 . 1 . . . . . 27 THR HB . 15153 1 215 . 1 1 27 27 THR HG21 H 1 0.805 0.052 . 1 . . . . . 27 THR QG2 . 15153 1 216 . 1 1 27 27 THR HG22 H 1 0.805 0.052 . 1 . . . . . 27 THR QG2 . 15153 1 217 . 1 1 27 27 THR HG23 H 1 0.805 0.052 . 1 . . . . . 27 THR QG2 . 15153 1 218 . 1 1 27 27 THR CA C 13 59.622 0.200 . 1 . . . . . 27 THR CA . 15153 1 219 . 1 1 27 27 THR CB C 13 67.054 0.200 . 1 . . . . . 27 THR CB . 15153 1 220 . 1 1 27 27 THR CG2 C 13 19.299 0.200 . 1 . . . . . 27 THR CG2 . 15153 1 221 . 1 1 28 28 ARG HA H 1 3.582 0.050 . 1 . . . . . 28 ARG HA . 15153 1 222 . 1 1 28 28 ARG HB2 H 1 1.902 0.050 . 1 . . . . . 28 ARG HB2 . 15153 1 223 . 1 1 28 28 ARG HB3 H 1 1.727 0.050 . 1 . . . . . 28 ARG HB3 . 15153 1 224 . 1 1 28 28 ARG HG2 H 1 1.248 0.050 . 1 . . . . . 28 ARG HG2 . 15153 1 225 . 1 1 28 28 ARG HD2 H 1 2.955 0.050 . 1 . . . . . 28 ARG HD2 . 15153 1 226 . 1 1 28 28 ARG HD3 H 1 2.898 0.050 . 1 . . . . . 28 ARG HD3 . 15153 1 227 . 1 1 28 28 ARG CA C 13 55.454 0.200 . 1 . . . . . 28 ARG CA . 15153 1 228 . 1 1 28 28 ARG CB C 13 24.114 0.200 . 1 . . . . . 28 ARG CB . 15153 1 229 . 1 1 28 28 ARG CG C 13 25.739 0.200 . 1 . . . . . 28 ARG CG . 15153 1 230 . 1 1 28 28 ARG CD C 13 40.883 0.200 . 1 . . . . . 28 ARG CD . 15153 1 231 . 1 1 29 29 ILE HA H 1 4.120 0.051 . 1 . . . . . 29 ILE HA . 15153 1 232 . 1 1 29 29 ILE HB H 1 1.390 0.050 . 1 . . . . . 29 ILE HB . 15153 1 233 . 1 1 29 29 ILE HG12 H 1 1.190 0.050 . 1 . . . . . 29 ILE HG12 . 15153 1 234 . 1 1 29 29 ILE HG13 H 1 0.964 0.050 . 1 . . . . . 29 ILE HG13 . 15153 1 235 . 1 1 29 29 ILE HG21 H 1 0.778 0.063 . 1 . . . . . 29 ILE QG2 . 15153 1 236 . 1 1 29 29 ILE HG22 H 1 0.778 0.063 . 1 . . . . . 29 ILE QG2 . 15153 1 237 . 1 1 29 29 ILE HG23 H 1 0.778 0.063 . 1 . . . . . 29 ILE QG2 . 15153 1 238 . 1 1 29 29 ILE HD11 H 1 0.650 0.051 . 1 . . . . . 29 ILE QD1 . 15153 1 239 . 1 1 29 29 ILE HD12 H 1 0.650 0.051 . 1 . . . . . 29 ILE QD1 . 15153 1 240 . 1 1 29 29 ILE HD13 H 1 0.650 0.051 . 1 . . . . . 29 ILE QD1 . 15153 1 241 . 1 1 29 29 ILE CA C 13 58.081 0.200 . 1 . . . . . 29 ILE CA . 15153 1 242 . 1 1 29 29 ILE CB C 13 37.368 0.200 . 1 . . . . . 29 ILE CB . 15153 1 243 . 1 1 29 29 ILE CG1 C 13 24.869 0.200 . 1 . . . . . 29 ILE CG1 . 15153 1 244 . 1 1 29 29 ILE CG2 C 13 15.905 0.200 . 1 . . . . . 29 ILE CG2 . 15153 1 245 . 1 1 29 29 ILE CD1 C 13 9.900 0.200 . 1 . . . . . 29 ILE CD1 . 15153 1 246 . 1 1 30 30 THR HA H 1 5.161 0.057 . 1 . . . . . 30 THR HA . 15153 1 247 . 1 1 30 30 THR HB H 1 3.637 0.050 . 1 . . . . . 30 THR HB . 15153 1 248 . 1 1 30 30 THR HG21 H 1 0.789 0.056 . 1 . . . . . 30 THR QG2 . 15153 1 249 . 1 1 30 30 THR HG22 H 1 0.789 0.056 . 1 . . . . . 30 THR QG2 . 15153 1 250 . 1 1 30 30 THR HG23 H 1 0.789 0.056 . 1 . . . . . 30 THR QG2 . 15153 1 251 . 1 1 30 30 THR CA C 13 58.796 0.200 . 1 . . . . . 30 THR CA . 15153 1 252 . 1 1 30 30 THR CB C 13 68.700 0.200 . 1 . . . . . 30 THR CB . 15153 1 253 . 1 1 30 30 THR CG2 C 13 19.212 0.200 . 1 . . . . . 30 THR CG2 . 15153 1 254 . 1 1 31 31 GLN HA H 1 4.728 0.000 . 1 . . . . . 31 GLN HA . 15153 1 255 . 1 1 31 31 GLN HB2 H 1 2.142 0.059 . 1 . . . . . 31 GLN HB2 . 15153 1 256 . 1 1 31 31 GLN HB3 H 1 2.084 0.050 . 1 . . . . . 31 GLN HB3 . 15153 1 257 . 1 1 31 31 GLN HG2 H 1 2.455 0.058 . 1 . . . . . 31 GLN HG2 . 15153 1 258 . 1 1 31 31 GLN CA C 13 51.980 0.200 . 1 . . . . . 31 GLN CA . 15153 1 259 . 1 1 31 31 GLN CB C 13 30.169 0.200 . 1 . . . . . 31 GLN CB . 15153 1 260 . 1 1 32 32 TRP HA H 1 4.782 0.050 . 1 . . . . . 32 TRP HA . 15153 1 261 . 1 1 32 32 TRP HB2 H 1 3.393 0.050 . 1 . . . . . 32 TRP HB2 . 15153 1 262 . 1 1 32 32 TRP HB3 H 1 2.924 0.056 . 1 . . . . . 32 TRP HB3 . 15153 1 263 . 1 1 32 32 TRP HD1 H 1 7.249 0.050 . 1 . . . . . 32 TRP HD1 . 15153 1 264 . 1 1 32 32 TRP HE3 H 1 7.945 0.057 . 1 . . . . . 32 TRP HE3 . 15153 1 265 . 1 1 32 32 TRP HZ2 H 1 7.115 0.051 . 1 . . . . . 32 TRP HZ2 . 15153 1 266 . 1 1 32 32 TRP HZ3 H 1 6.699 0.051 . 1 . . . . . 32 TRP HZ3 . 15153 1 267 . 1 1 32 32 TRP HH2 H 1 6.977 0.050 . 1 . . . . . 32 TRP HH2 . 15153 1 268 . 1 1 32 32 TRP CA C 13 56.264 0.200 . 1 . . . . . 32 TRP CA . 15153 1 269 . 1 1 32 32 TRP CB C 13 28.066 0.200 . 1 . . . . . 32 TRP CB . 15153 1 270 . 1 1 32 32 TRP CD1 C 13 127.190 0.200 . 1 . . . . . 32 TRP CD1 . 15153 1 271 . 1 1 32 32 TRP CE3 C 13 121.297 0.200 . 1 . . . . . 32 TRP CE3 . 15153 1 272 . 1 1 32 32 TRP CZ2 C 13 115.046 0.200 . 1 . . . . . 32 TRP CZ2 . 15153 1 273 . 1 1 32 32 TRP CZ3 C 13 123.297 0.200 . 1 . . . . . 32 TRP CZ3 . 15153 1 274 . 1 1 32 32 TRP CH2 C 13 47.654 0.200 . 1 . . . . . 32 TRP CH2 . 15153 1 275 . 1 1 33 33 GLU HA H 1 4.019 0.050 . 1 . . . . . 33 GLU HA . 15153 1 276 . 1 1 33 33 GLU HB2 H 1 1.703 0.051 . 1 . . . . . 33 GLU HB2 . 15153 1 277 . 1 1 33 33 GLU HB3 H 1 1.530 0.051 . 1 . . . . . 33 GLU HB3 . 15153 1 278 . 1 1 33 33 GLU HG2 H 1 2.169 0.051 . 1 . . . . . 33 GLU HG2 . 15153 1 279 . 1 1 33 33 GLU HG3 H 1 1.974 0.050 . 1 . . . . . 33 GLU HG3 . 15153 1 280 . 1 1 33 33 GLU CA C 13 55.054 0.200 . 1 . . . . . 33 GLU CA . 15153 1 281 . 1 1 33 33 GLU CB C 13 27.300 0.200 . 1 . . . . . 33 GLU CB . 15153 1 282 . 1 1 33 33 GLU CG C 13 34.181 0.200 . 1 . . . . . 33 GLU CG . 15153 1 283 . 1 1 34 34 ASP HA H 1 2.694 0.062 . 1 . . . . . 34 ASP HA . 15153 1 284 . 1 1 34 34 ASP HB2 H 1 2.426 0.051 . 1 . . . . . 34 ASP HB2 . 15153 1 285 . 1 1 34 34 ASP HB3 H 1 2.010 0.050 . 1 . . . . . 34 ASP HB3 . 15153 1 286 . 1 1 34 34 ASP CA C 13 49.162 0.200 . 1 . . . . . 34 ASP CA . 15153 1 287 . 1 1 34 34 ASP CB C 13 39.803 0.200 . 1 . . . . . 34 ASP CB . 15153 1 288 . 1 1 35 35 PRO HA H 1 3.712 0.050 . 1 . . . . . 35 PRO HA . 15153 1 289 . 1 1 35 35 PRO HB2 H 1 0.550 0.051 . 1 . . . . . 35 PRO HB2 . 15153 1 290 . 1 1 35 35 PRO HB3 H 1 0.287 0.059 . 1 . . . . . 35 PRO HB3 . 15153 1 291 . 1 1 35 35 PRO HG2 H 1 0.282 0.050 . 1 . . . . . 35 PRO HG2 . 15153 1 292 . 1 1 35 35 PRO HG3 H 1 0.071 0.050 . 1 . . . . . 35 PRO HG3 . 15153 1 293 . 1 1 35 35 PRO HD2 H 1 2.216 0.050 . 1 . . . . . 35 PRO HD2 . 15153 1 294 . 1 1 35 35 PRO HD3 H 1 2.041 0.050 . 1 . . . . . 35 PRO HD3 . 15153 1 295 . 1 1 35 35 PRO CA C 13 60.700 0.200 . 1 . . . . . 35 PRO CA . 15153 1 296 . 1 1 35 35 PRO CB C 13 28.469 0.200 . 1 . . . . . 35 PRO CB . 15153 1 297 . 1 1 35 35 PRO CG C 13 24.390 0.200 . 1 . . . . . 35 PRO CG . 15153 1 298 . 1 1 35 35 PRO CD C 13 47.224 0.200 . 1 . . . . . 35 PRO CD . 15153 1 299 . 1 1 36 36 ARG HA H 1 3.798 0.050 . 1 . . . . . 36 ARG HA . 15153 1 300 . 1 1 36 36 ARG HB2 H 1 1.632 0.050 . 1 . . . . . 36 ARG HB2 . 15153 1 301 . 1 1 36 36 ARG HB3 H 1 1.389 0.050 . 1 . . . . . 36 ARG HB3 . 15153 1 302 . 1 1 36 36 ARG HG2 H 1 1.537 0.051 . 1 . . . . . 36 ARG HG2 . 15153 1 303 . 1 1 36 36 ARG HG3 H 1 0.972 0.050 . 1 . . . . . 36 ARG HG3 . 15153 1 304 . 1 1 36 36 ARG HD2 H 1 2.651 0.050 . 1 . . . . . 36 ARG HD2 . 15153 1 305 . 1 1 36 36 ARG HD3 H 1 2.610 0.050 . 1 . . . . . 36 ARG HD3 . 15153 1 306 . 1 1 36 36 ARG CA C 13 54.248 0.200 . 1 . . . . . 36 ARG CA . 15153 1 307 . 1 1 36 36 ARG CB C 13 28.111 0.200 . 1 . . . . . 36 ARG CB . 15153 1 308 . 1 1 36 36 ARG CG C 13 24.600 0.200 . 1 . . . . . 36 ARG CG . 15153 1 309 . 1 1 36 36 ARG CD C 13 41.057 0.200 . 1 . . . . . 36 ARG CD . 15153 1 310 . 1 1 37 37 SER HA H 1 3.881 0.050 . 1 . . . . . 37 SER HA . 15153 1 311 . 1 1 37 37 SER HB2 H 1 3.569 0.050 . 1 . . . . . 37 SER HB2 . 15153 1 312 . 1 1 37 37 SER CA C 13 58.521 0.200 . 1 . . . . . 37 SER CA . 15153 1 313 . 1 1 37 37 SER CB C 13 62.925 0.200 . 1 . . . . . 37 SER CB . 15153 1 stop_ save_ ################################### # 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_N _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_N _Assigned_chem_shift_list.Entry_ID 15153 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Standard _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 '3D CBCA(CO)NH' . . . 15153 2 3 '2D 1H-15N HSQC' . . . 15153 2 4 '3D 1H-15N NOESY' . . . 15153 2 5 '3D 1H-15N TOCSY' . . . 15153 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.638 0.050 . 1 . . . . . 1 GLY HA1 . 15153 2 2 . 1 1 2 2 ALA H H 1 8.410 0.050 . 1 . . . . . 2 ALA HN . 15153 2 3 . 1 1 2 2 ALA HA H 1 4.098 0.050 . 1 . . . . . 2 ALA HA . 15153 2 4 . 1 1 2 2 ALA HB1 H 1 1.115 0.067 . 1 . . . . . 2 ALA QB . 15153 2 5 . 1 1 2 2 ALA HB2 H 1 1.115 0.067 . 1 . . . . . 2 ALA QB . 15153 2 6 . 1 1 2 2 ALA HB3 H 1 1.115 0.067 . 1 . . . . . 2 ALA QB . 15153 2 7 . 1 1 2 2 ALA N N 15 123.520 0.100 . 1 . . . . . 2 ALA N . 15153 2 8 . 1 1 3 3 MET H H 1 8.317 0.050 . 1 . . . . . 3 MET HN . 15153 2 9 . 1 1 3 3 MET HA H 1 4.380 0.057 . 1 . . . . . 3 MET HA . 15153 2 10 . 1 1 3 3 MET HB2 H 1 1.817 0.070 . 1 . . . . . 3 MET HB2 . 15153 2 11 . 1 1 3 3 MET HG2 H 1 2.362 0.050 . 1 . . . . . 3 MET HG2 . 15153 2 12 . 1 1 3 3 MET N N 15 119.153 0.100 . 1 . . . . . 3 MET N . 15153 2 13 . 1 1 4 4 GLY H H 1 8.181 0.050 . 1 . . . . . 4 GLY HN . 15153 2 14 . 1 1 4 4 GLY HA2 H 1 3.896 0.050 . 1 . . . . . 4 GLY HA1 . 15153 2 15 . 1 1 4 4 GLY N N 15 109.815 0.100 . 1 . . . . . 4 GLY N . 15153 2 16 . 1 1 5 5 PRO HA H 1 4.270 0.050 . 1 . . . . . 5 PRO HA . 15153 2 17 . 1 1 5 5 PRO HB2 H 1 2.066 0.050 . 1 . . . . . 5 PRO HB2 . 15153 2 18 . 1 1 6 6 LEU H H 1 8.547 0.050 . 1 . . . . . 6 LEU HN . 15153 2 19 . 1 1 6 6 LEU HA H 1 3.996 0.050 . 1 . . . . . 6 LEU HA . 15153 2 20 . 1 1 6 6 LEU HB2 H 1 1.712 0.050 . 1 . . . . . 6 LEU HB2 . 15153 2 21 . 1 1 6 6 LEU HB3 H 1 1.266 0.050 . 1 . . . . . 6 LEU HB3 . 15153 2 22 . 1 1 6 6 LEU HG H 1 0.945 0.050 . 1 . . . . . 6 LEU HG . 15153 2 23 . 1 1 6 6 LEU HD11 H 1 0.517 0.050 . 1 . . . . . 6 LEU HD12 . 15153 2 24 . 1 1 6 6 LEU HD12 H 1 0.517 0.050 . 1 . . . . . 6 LEU HD12 . 15153 2 25 . 1 1 6 6 LEU HD13 H 1 0.517 0.050 . 1 . . . . . 6 LEU HD12 . 15153 2 26 . 1 1 6 6 LEU HD21 H 1 0.517 0.050 . 1 . . . . . 6 LEU HD12 . 15153 2 27 . 1 1 6 6 LEU HD22 H 1 0.517 0.050 . 1 . . . . . 6 LEU HD12 . 15153 2 28 . 1 1 6 6 LEU HD23 H 1 0.517 0.050 . 1 . . . . . 6 LEU HD12 . 15153 2 29 . 1 1 6 6 LEU N N 15 122.304 0.100 . 1 . . . . . 6 LEU N . 15153 2 30 . 1 1 8 8 PRO HA H 1 4.227 0.050 . 1 . . . . . 8 PRO HA . 15153 2 31 . 1 1 8 8 PRO HB2 H 1 2.007 0.170 . 1 . . . . . 8 PRO HB2 . 15153 2 32 . 1 1 8 8 PRO HB3 H 1 1.685 0.080 . 1 . . . . . 8 PRO HB3 . 15153 2 33 . 1 1 9 9 GLY H H 1 8.640 0.059 . 1 . . . . . 9 GLY HN . 15153 2 34 . 1 1 9 9 GLY HA2 H 1 4.084 0.072 . 1 . . . . . 9 GLY HA1 . 15153 2 35 . 1 1 9 9 GLY HA3 H 1 3.295 0.052 . 1 . . . . . 9 GLY HA2 . 15153 2 36 . 1 1 9 9 GLY N N 15 112.109 0.100 . 1 . . . . . 9 GLY N . 15153 2 37 . 1 1 10 10 TRP H H 1 7.365 0.050 . 1 . . . . . 10 TRP HN . 15153 2 38 . 1 1 10 10 TRP HA H 1 5.156 0.053 . 1 . . . . . 10 TRP HA . 15153 2 39 . 1 1 10 10 TRP HB2 H 1 3.114 0.058 . 1 . . . . . 10 TRP HB2 . 15153 2 40 . 1 1 10 10 TRP HB3 H 1 2.803 0.050 . 1 . . . . . 10 TRP HB3 . 15153 2 41 . 1 1 10 10 TRP HD1 H 1 6.853 0.052 . 1 . . . . . 10 TRP HD1 . 15153 2 42 . 1 1 10 10 TRP HE1 H 1 10.458 0.051 . 1 . . . . . 10 TRP HE1 . 15153 2 43 . 1 1 10 10 TRP HE3 H 1 7.184 0.050 . 1 . . . . . 10 TRP HE3 . 15153 2 44 . 1 1 10 10 TRP HZ2 H 1 7.289 0.050 . 1 . . . . . 10 TRP HZ2 . 15153 2 45 . 1 1 10 10 TRP HZ3 H 1 6.663 0.052 . 1 . . . . . 10 TRP HZ3 . 15153 2 46 . 1 1 10 10 TRP N N 15 117.687 0.100 . 1 . . . . . 10 TRP N . 15153 2 47 . 1 1 10 10 TRP NE1 N 15 129.565 0.100 . 1 . . . . . 10 TRP NE1 . 15153 2 48 . 1 1 11 11 GLU H H 1 9.262 0.050 . 1 . . . . . 11 GLU HN . 15153 2 49 . 1 1 11 11 GLU HA H 1 4.515 0.050 . 1 . . . . . 11 GLU HA . 15153 2 50 . 1 1 11 11 GLU HB2 H 1 2.067 0.050 . 1 . . . . . 11 GLU HB2 . 15153 2 51 . 1 1 11 11 GLU HB3 H 1 1.843 0.059 . 1 . . . . . 11 GLU HB3 . 15153 2 52 . 1 1 11 11 GLU HG2 H 1 2.782 0.050 . 1 . . . . . 11 GLU HG2 . 15153 2 53 . 1 1 11 11 GLU N N 15 121.514 0.100 . 1 . . . . . 11 GLU N . 15153 2 54 . 1 1 12 12 LYS H H 1 8.626 0.050 . 1 . . . . . 12 LYS HN . 15153 2 55 . 1 1 12 12 LYS HA H 1 4.246 0.059 . 1 . . . . . 12 LYS HA . 15153 2 56 . 1 1 12 12 LYS HB2 H 1 1.527 0.050 . 1 . . . . . 12 LYS HB2 . 15153 2 57 . 1 1 12 12 LYS HB3 H 1 1.361 0.050 . 1 . . . . . 12 LYS HB3 . 15153 2 58 . 1 1 12 12 LYS HG2 H 1 0.872 0.050 . 1 . . . . . 12 LYS HG2 . 15153 2 59 . 1 1 12 12 LYS HG3 H 1 0.812 0.050 . 1 . . . . . 12 LYS HG3 . 15153 2 60 . 1 1 12 12 LYS N N 15 126.102 0.100 . 1 . . . . . 12 LYS N . 15153 2 61 . 1 1 13 13 ARG H H 1 8.482 0.050 . 1 . . . . . 13 ARG HN . 15153 2 62 . 1 1 13 13 ARG HA H 1 4.262 0.050 . 1 . . . . . 13 ARG HA . 15153 2 63 . 1 1 13 13 ARG HB2 H 1 1.148 0.052 . 1 . . . . . 13 ARG HB2 . 15153 2 64 . 1 1 13 13 ARG HB3 H 1 -0.222 0.050 . 1 . . . . . 13 ARG HB3 . 15153 2 65 . 1 1 13 13 ARG HG2 H 1 1.097 0.050 . 1 . . . . . 13 ARG HG2 . 15153 2 66 . 1 1 13 13 ARG HG3 H 1 0.908 0.050 . 1 . . . . . 13 ARG HG3 . 15153 2 67 . 1 1 13 13 ARG HD2 H 1 2.813 0.050 . 1 . . . . . 13 ARG HD2 . 15153 2 68 . 1 1 13 13 ARG HD3 H 1 2.767 0.050 . 1 . . . . . 13 ARG HD3 . 15153 2 69 . 1 1 13 13 ARG HE H 1 6.791 0.050 . 1 . . . . . 13 ARG HE . 15153 2 70 . 1 1 13 13 ARG N N 15 127.810 0.100 . 1 . . . . . 13 ARG N . 15153 2 71 . 1 1 13 13 ARG NE N 15 124.564 0.100 . 1 . . . . . 13 ARG NE . 15153 2 72 . 1 1 14 14 THR H H 1 7.723 0.050 . 1 . . . . . 14 THR HN . 15153 2 73 . 1 1 14 14 THR HA H 1 4.907 0.052 . 1 . . . . . 14 THR HA . 15153 2 74 . 1 1 14 14 THR HB H 1 3.628 0.050 . 1 . . . . . 14 THR HB . 15153 2 75 . 1 1 14 14 THR HG21 H 1 0.968 0.059 . 1 . . . . . 14 THR QG2 . 15153 2 76 . 1 1 14 14 THR HG22 H 1 0.968 0.059 . 1 . . . . . 14 THR QG2 . 15153 2 77 . 1 1 14 14 THR HG23 H 1 0.968 0.059 . 1 . . . . . 14 THR QG2 . 15153 2 78 . 1 1 14 14 THR N N 15 110.962 0.100 . 1 . . . . . 14 THR N . 15153 2 79 . 1 1 15 15 ASP H H 1 9.142 0.050 . 1 . . . . . 15 ASP HN . 15153 2 80 . 1 1 15 15 ASP HA H 1 4.766 0.050 . 1 . . . . . 15 ASP HA . 15153 2 81 . 1 1 15 15 ASP HB2 H 1 3.331 0.073 . 1 . . . . . 15 ASP HB2 . 15153 2 82 . 1 1 15 15 ASP HB3 H 1 2.659 0.052 . 1 . . . . . 15 ASP HB3 . 15153 2 83 . 1 1 15 15 ASP N N 15 126.358 0.100 . 1 . . . . . 15 ASP N . 15153 2 84 . 1 1 16 16 SER H H 1 8.429 0.050 . 1 . . . . . 16 SER HN . 15153 2 85 . 1 1 16 16 SER HA H 1 4.034 0.050 . 1 . . . . . 16 SER HA . 15153 2 86 . 1 1 16 16 SER HB2 H 1 3.812 0.055 . 1 . . . . . 16 SER HB2 . 15153 2 87 . 1 1 16 16 SER HB3 H 1 3.738 0.050 . 1 . . . . . 16 SER HB3 . 15153 2 88 . 1 1 16 16 SER N N 15 113.485 0.100 . 1 . . . . . 16 SER N . 15153 2 89 . 1 1 17 17 ASN H H 1 8.265 0.054 . 1 . . . . . 17 ASN HN . 15153 2 90 . 1 1 17 17 ASN HA H 1 4.772 0.059 . 1 . . . . . 17 ASN HA . 15153 2 91 . 1 1 17 17 ASN HB2 H 1 2.794 0.050 . 1 . . . . . 17 ASN HB2 . 15153 2 92 . 1 1 17 17 ASN HB3 H 1 2.627 0.050 . 1 . . . . . 17 ASN HB3 . 15153 2 93 . 1 1 17 17 ASN HD21 H 1 6.791 0.051 . 1 . . . . . 17 ASN HD21 . 15153 2 94 . 1 1 17 17 ASN HD22 H 1 7.614 0.050 . 1 . . . . . 17 ASN HD22 . 15153 2 95 . 1 1 17 17 ASN N N 15 119.211 0.100 . 1 . . . . . 17 ASN N . 15153 2 96 . 1 1 17 17 ASN ND2 N 15 114.475 0.100 . 1 . . . . . 17 ASN ND2 . 15153 2 97 . 1 1 18 18 GLY H H 1 8.022 0.051 . 1 . . . . . 18 GLY HN . 15153 2 98 . 1 1 18 18 GLY HA2 H 1 4.049 0.069 . 1 . . . . . 18 GLY HA1 . 15153 2 99 . 1 1 18 18 GLY HA3 H 1 3.403 0.068 . 1 . . . . . 18 GLY HA2 . 15153 2 100 . 1 1 18 18 GLY N N 15 108.898 0.100 . 1 . . . . . 18 GLY N . 15153 2 101 . 1 1 19 19 ARG H H 1 8.509 0.050 . 1 . . . . . 19 ARG HN . 15153 2 102 . 1 1 19 19 ARG HA H 1 4.243 0.050 . 1 . . . . . 19 ARG HA . 15153 2 103 . 1 1 19 19 ARG HB2 H 1 1.778 0.050 . 1 . . . . . 19 ARG HB2 . 15153 2 104 . 1 1 19 19 ARG HB3 H 1 1.482 0.050 . 1 . . . . . 19 ARG HB3 . 15153 2 105 . 1 1 19 19 ARG HG2 H 1 1.510 0.050 . 1 . . . . . 19 ARG HG2 . 15153 2 106 . 1 1 19 19 ARG HD2 H 1 2.645 0.050 . 1 . . . . . 19 ARG HD2 . 15153 2 107 . 1 1 19 19 ARG HE H 1 6.977 0.050 . 1 . . . . . 19 ARG HE . 15153 2 108 . 1 1 19 19 ARG HH21 H 1 6.146 0.050 . 1 . . . . . 19 ARG HH21 . 15153 2 109 . 1 1 19 19 ARG HH22 H 1 5.810 0.050 . 1 . . . . . 19 ARG HH22 . 15153 2 110 . 1 1 19 19 ARG N N 15 123.808 0.100 . 1 . . . . . 19 ARG N . 15153 2 111 . 1 1 19 19 ARG NE N 15 125.189 0.100 . 1 . . . . . 19 ARG NE . 15153 2 112 . 1 1 20 20 VAL H H 1 8.308 0.051 . 1 . . . . . 20 VAL HN . 15153 2 113 . 1 1 20 20 VAL HA H 1 4.512 0.050 . 1 . . . . . 20 VAL HA . 15153 2 114 . 1 1 20 20 VAL HB H 1 1.713 0.050 . 1 . . . . . 20 VAL HB . 15153 2 115 . 1 1 20 20 VAL HG11 H 1 0.790 0.050 . 1 . . . . . 20 VAL QG1 . 15153 2 116 . 1 1 20 20 VAL HG12 H 1 0.790 0.050 . 1 . . . . . 20 VAL QG1 . 15153 2 117 . 1 1 20 20 VAL HG13 H 1 0.790 0.050 . 1 . . . . . 20 VAL QG1 . 15153 2 118 . 1 1 20 20 VAL HG21 H 1 0.487 0.050 . 1 . . . . . 20 VAL QG2 . 15153 2 119 . 1 1 20 20 VAL HG22 H 1 0.487 0.050 . 1 . . . . . 20 VAL QG2 . 15153 2 120 . 1 1 20 20 VAL HG23 H 1 0.487 0.050 . 1 . . . . . 20 VAL QG2 . 15153 2 121 . 1 1 20 20 VAL N N 15 126.331 0.100 . 1 . . . . . 20 VAL N . 15153 2 122 . 1 1 21 21 TYR H H 1 8.533 0.050 . 1 . . . . . 21 TYR HN . 15153 2 123 . 1 1 21 21 TYR HA H 1 4.580 0.065 . 1 . . . . . 21 TYR HA . 15153 2 124 . 1 1 21 21 TYR HB2 H 1 2.580 0.050 . 1 . . . . . 21 TYR HB2 . 15153 2 125 . 1 1 21 21 TYR HB3 H 1 2.155 0.058 . 1 . . . . . 21 TYR HB3 . 15153 2 126 . 1 1 21 21 TYR HD1 H 1 6.619 0.066 . 1 . . . . . 21 TYR QD . 15153 2 127 . 1 1 21 21 TYR HD2 H 1 6.619 0.066 . 1 . . . . . 21 TYR QD . 15153 2 128 . 1 1 21 21 TYR HE1 H 1 6.136 0.060 . 1 . . . . . 21 TYR QE . 15153 2 129 . 1 1 21 21 TYR HE2 H 1 6.136 0.060 . 1 . . . . . 21 TYR QE . 15153 2 130 . 1 1 21 21 TYR N N 15 122.786 0.100 . 1 . . . . . 21 TYR N . 15153 2 131 . 1 1 22 22 PHE H H 1 8.772 0.055 . 1 . . . . . 22 PHE HN . 15153 2 132 . 1 1 22 22 PHE HA H 1 5.293 0.060 . 1 . . . . . 22 PHE HA . 15153 2 133 . 1 1 22 22 PHE HB2 H 1 2.910 0.054 . 1 . . . . . 22 PHE HB2 . 15153 2 134 . 1 1 22 22 PHE HB3 H 1 2.611 0.053 . 1 . . . . . 22 PHE HB3 . 15153 2 135 . 1 1 22 22 PHE HD1 H 1 6.739 0.050 . 1 . . . . . 22 PHE QD . 15153 2 136 . 1 1 22 22 PHE HD2 H 1 6.739 0.050 . 1 . . . . . 22 PHE QD . 15153 2 137 . 1 1 22 22 PHE HE1 H 1 7.015 0.050 . 1 . . . . . 22 PHE QE . 15153 2 138 . 1 1 22 22 PHE HE2 H 1 7.015 0.060 . 1 . . . . . 22 PHE QE . 15153 2 139 . 1 1 22 22 PHE N N 15 115.779 0.100 . 1 . . . . . 22 PHE N . 15153 2 140 . 1 1 23 23 VAL H H 1 8.942 0.057 . 1 . . . . . 23 VAL HN . 15153 2 141 . 1 1 23 23 VAL HA H 1 4.975 0.055 . 1 . . . . . 23 VAL HA . 15153 2 142 . 1 1 23 23 VAL HB H 1 1.622 0.069 . 1 . . . . . 23 VAL HB . 15153 2 143 . 1 1 23 23 VAL HG11 H 1 0.562 0.054 . 1 . . . . . 23 VAL QG1 . 15153 2 144 . 1 1 23 23 VAL HG12 H 1 0.562 0.054 . 1 . . . . . 23 VAL QG1 . 15153 2 145 . 1 1 23 23 VAL HG13 H 1 0.562 0.054 . 1 . . . . . 23 VAL QG1 . 15153 2 146 . 1 1 23 23 VAL HG21 H 1 0.432 0.050 . 1 . . . . . 23 VAL QG2 . 15153 2 147 . 1 1 23 23 VAL HG22 H 1 0.432 0.050 . 1 . . . . . 23 VAL QG2 . 15153 2 148 . 1 1 23 23 VAL HG23 H 1 0.432 0.050 . 1 . . . . . 23 VAL QG2 . 15153 2 149 . 1 1 23 23 VAL N N 15 120.200 0.100 . 1 . . . . . 23 VAL N . 15153 2 150 . 1 1 24 24 ASN H H 1 8.254 0.056 . 1 . . . . . 24 ASN HN . 15153 2 151 . 1 1 24 24 ASN HA H 1 4.189 0.070 . 1 . . . . . 24 ASN HA . 15153 2 152 . 1 1 24 24 ASN HB2 H 1 2.041 0.050 . 1 . . . . . 24 ASN HB2 . 15153 2 153 . 1 1 24 24 ASN HB3 H 1 -0.618 0.068 . 1 . . . . . 24 ASN HB3 . 15153 2 154 . 1 1 24 24 ASN HD21 H 1 6.652 0.050 . 1 . . . . . 24 ASN HD21 . 15153 2 155 . 1 1 24 24 ASN HD22 H 1 4.364 0.050 . 1 . . . . . 24 ASN HD22 . 15153 2 156 . 1 1 24 24 ASN N N 15 126.102 0.100 . 1 . . . . . 24 ASN N . 15153 2 157 . 1 1 24 24 ASN ND2 N 15 110.186 0.100 . 1 . . . . . 24 ASN ND2 . 15153 2 158 . 1 1 25 25 HIS H H 1 8.554 0.050 . 1 . . . . . 25 HIS HN . 15153 2 159 . 1 1 25 25 HIS HA H 1 4.152 0.072 . 1 . . . . . 25 HIS HA . 15153 2 160 . 1 1 25 25 HIS HB2 H 1 2.977 0.053 . 1 . . . . . 25 HIS HB2 . 15153 2 161 . 1 1 25 25 HIS HD2 H 1 6.932 0.050 . 1 . . . . . 25 HIS HD2 . 15153 2 162 . 1 1 25 25 HIS N N 15 123.250 0.100 . 1 . . . . . 25 HIS N . 15153 2 163 . 1 1 26 26 ASN H H 1 8.382 0.050 . 1 . . . . . 26 ASN HN . 15153 2 164 . 1 1 26 26 ASN HA H 1 4.421 0.052 . 1 . . . . . 26 ASN HA . 15153 2 165 . 1 1 26 26 ASN HB2 H 1 2.793 0.072 . 1 . . . . . 26 ASN HB2 . 15153 2 166 . 1 1 26 26 ASN HB3 H 1 2.597 0.073 . 1 . . . . . 26 ASN HB3 . 15153 2 167 . 1 1 26 26 ASN HD21 H 1 6.944 0.050 . 1 . . . . . 26 ASN HD21 . 15153 2 168 . 1 1 26 26 ASN HD22 H 1 7.473 0.050 . 1 . . . . . 26 ASN HD22 . 15153 2 169 . 1 1 26 26 ASN N N 15 117.162 0.100 . 1 . . . . . 26 ASN N . 15153 2 170 . 1 1 26 26 ASN ND2 N 15 113.648 0.100 . 1 . . . . . 26 ASN ND2 . 15153 2 171 . 1 1 27 27 THR H H 1 7.324 0.053 . 1 . . . . . 27 THR HN . 15153 2 172 . 1 1 27 27 THR HA H 1 3.974 0.050 . 1 . . . . . 27 THR HA . 15153 2 173 . 1 1 27 27 THR HB H 1 4.039 0.050 . 1 . . . . . 27 THR HB . 15153 2 174 . 1 1 27 27 THR HG21 H 1 0.804 0.050 . 1 . . . . . 27 THR QG2 . 15153 2 175 . 1 1 27 27 THR HG22 H 1 0.804 0.050 . 1 . . . . . 27 THR QG2 . 15153 2 176 . 1 1 27 27 THR HG23 H 1 0.804 0.050 . 1 . . . . . 27 THR QG2 . 15153 2 177 . 1 1 27 27 THR N N 15 108.347 0.100 . 1 . . . . . 27 THR N . 15153 2 178 . 1 1 28 28 ARG H H 1 7.687 0.057 . 1 . . . . . 28 ARG HN . 15153 2 179 . 1 1 28 28 ARG HA H 1 3.590 0.057 . 1 . . . . . 28 ARG HA . 15153 2 180 . 1 1 28 28 ARG HB2 H 1 1.902 0.050 . 1 . . . . . 28 ARG HB2 . 15153 2 181 . 1 1 28 28 ARG HB3 H 1 1.727 0.050 . 1 . . . . . 28 ARG HB3 . 15153 2 182 . 1 1 28 28 ARG HG2 H 1 1.248 0.050 . 1 . . . . . 28 ARG HG2 . 15153 2 183 . 1 1 28 28 ARG HD2 H 1 2.949 0.050 . 1 . . . . . 28 ARG HD2 . 15153 2 184 . 1 1 28 28 ARG HD3 H 1 2.896 0.050 . 1 . . . . . 28 ARG HD3 . 15153 2 185 . 1 1 28 28 ARG HE H 1 6.928 0.050 . 1 . . . . . 28 ARG HE . 15153 2 186 . 1 1 28 28 ARG N N 15 116.009 0.100 . 1 . . . . . 28 ARG N . 15153 2 187 . 1 1 28 28 ARG NE N 15 124.564 0.100 . 1 . . . . . 28 ARG NE . 15153 2 188 . 1 1 29 29 ILE H H 1 6.951 0.050 . 1 . . . . . 29 ILE HN . 15153 2 189 . 1 1 29 29 ILE HA H 1 4.132 0.063 . 1 . . . . . 29 ILE HA . 15153 2 190 . 1 1 29 29 ILE HB H 1 1.378 0.062 . 1 . . . . . 29 ILE HB . 15153 2 191 . 1 1 29 29 ILE HG12 H 1 1.188 0.050 . 1 . . . . . 29 ILE HG12 . 15153 2 192 . 1 1 29 29 ILE HG13 H 1 0.964 0.050 . 1 . . . . . 29 ILE HG13 . 15153 2 193 . 1 1 29 29 ILE HG21 H 1 0.773 0.050 . 1 . . . . . 29 ILE QG2 . 15153 2 194 . 1 1 29 29 ILE HG22 H 1 0.773 0.050 . 1 . . . . . 29 ILE QG2 . 15153 2 195 . 1 1 29 29 ILE HG23 H 1 0.773 0.050 . 1 . . . . . 29 ILE QG2 . 15153 2 196 . 1 1 29 29 ILE N N 15 119.740 0.100 . 1 . . . . . 29 ILE N . 15153 2 197 . 1 1 30 30 THR H H 1 8.080 0.050 . 1 . . . . . 30 THR HN . 15153 2 198 . 1 1 30 30 THR HA H 1 5.178 0.062 . 1 . . . . . 30 THR HA . 15153 2 199 . 1 1 30 30 THR HB H 1 3.658 0.071 . 1 . . . . . 30 THR HB . 15153 2 200 . 1 1 30 30 THR HG21 H 1 0.801 0.065 . 1 . . . . . 30 THR QG2 . 15153 2 201 . 1 1 30 30 THR HG22 H 1 0.801 0.065 . 1 . . . . . 30 THR QG2 . 15153 2 202 . 1 1 30 30 THR HG23 H 1 0.801 0.065 . 1 . . . . . 30 THR QG2 . 15153 2 203 . 1 1 30 30 THR N N 15 120.597 0.100 . 1 . . . . . 30 THR N . 15153 2 204 . 1 1 31 31 GLN H H 1 9.386 0.055 . 1 . . . . . 31 GLN HN . 15153 2 205 . 1 1 31 31 GLN HB2 H 1 2.129 0.068 . 1 . . . . . 31 GLN HB2 . 15153 2 206 . 1 1 31 31 GLN HB3 H 1 2.084 0.050 . 1 . . . . . 31 GLN HB3 . 15153 2 207 . 1 1 31 31 GLN HG2 H 1 2.453 0.050 . 1 . . . . . 31 GLN HG2 . 15153 2 208 . 1 1 31 31 GLN HE21 H 1 6.640 0.050 . 1 . . . . . 31 GLN HE21 . 15153 2 209 . 1 1 31 31 GLN HE22 H 1 7.320 0.050 . 1 . . . . . 31 GLN HE22 . 15153 2 210 . 1 1 31 31 GLN N N 15 120.367 0.100 . 1 . . . . . 31 GLN N . 15153 2 211 . 1 1 31 31 GLN NE2 N 15 113.732 0.100 . 1 . . . . . 31 GLN NE2 . 15153 2 212 . 1 1 32 32 TRP H H 1 8.425 0.054 . 1 . . . . . 32 TRP HN . 15153 2 213 . 1 1 32 32 TRP HA H 1 4.791 0.059 . 1 . . . . . 32 TRP HA . 15153 2 214 . 1 1 32 32 TRP HB2 H 1 3.383 0.071 . 1 . . . . . 32 TRP HB2 . 15153 2 215 . 1 1 32 32 TRP HB3 H 1 2.925 0.054 . 1 . . . . . 32 TRP HB3 . 15153 2 216 . 1 1 32 32 TRP HD1 H 1 7.249 0.050 . 1 . . . . . 32 TRP HD1 . 15153 2 217 . 1 1 32 32 TRP HE1 H 1 9.899 0.050 . 1 . . . . . 32 TRP HE1 . 15153 2 218 . 1 1 32 32 TRP N N 15 120.119 0.100 . 1 . . . . . 32 TRP N . 15153 2 219 . 1 1 32 32 TRP NE1 N 15 128.315 0.100 . 1 . . . . . 32 TRP NE1 . 15153 2 220 . 1 1 33 33 GLU H H 1 7.838 0.050 . 1 . . . . . 33 GLU HN . 15153 2 221 . 1 1 33 33 GLU HA H 1 4.019 0.057 . 1 . . . . . 33 GLU HA . 15153 2 222 . 1 1 33 33 GLU HB2 H 1 1.710 0.057 . 1 . . . . . 33 GLU HB2 . 15153 2 223 . 1 1 33 33 GLU HB3 H 1 1.561 0.050 . 1 . . . . . 33 GLU HB3 . 15153 2 224 . 1 1 33 33 GLU HG2 H 1 2.456 0.050 . 1 . . . . . 33 GLU HG2 . 15153 2 225 . 1 1 33 33 GLU HG3 H 1 2.137 0.050 . 1 . . . . . 33 GLU HG3 . 15153 2 226 . 1 1 33 33 GLU N N 15 117.385 0.100 . 1 . . . . . 33 GLU N . 15153 2 227 . 1 1 34 34 ASP H H 1 8.201 0.050 . 1 . . . . . 34 ASP HN . 15153 2 228 . 1 1 34 34 ASP HA H 1 2.688 0.050 . 1 . . . . . 34 ASP HA . 15153 2 229 . 1 1 34 34 ASP HB2 H 1 2.426 0.050 . 1 . . . . . 34 ASP HB2 . 15153 2 230 . 1 1 34 34 ASP HB3 H 1 2.047 0.050 . 1 . . . . . 34 ASP HB3 . 15153 2 231 . 1 1 34 34 ASP N N 15 124.827 0.100 . 1 . . . . . 34 ASP N . 15153 2 232 . 1 1 35 35 PRO HB2 H 1 0.577 0.056 . 1 . . . . . 35 PRO HB2 . 15153 2 233 . 1 1 35 35 PRO HB3 H 1 0.316 0.050 . 1 . . . . . 35 PRO HB3 . 15153 2 234 . 1 1 35 35 PRO HD2 H 1 2.214 0.050 . 1 . . . . . 35 PRO HD2 . 15153 2 235 . 1 1 35 35 PRO HD3 H 1 2.031 0.050 . 1 . . . . . 35 PRO HD3 . 15153 2 236 . 1 1 36 36 ARG H H 1 8.261 0.050 . 1 . . . . . 36 ARG HN . 15153 2 237 . 1 1 36 36 ARG HA H 1 3.733 0.097 . 1 . . . . . 36 ARG HA . 15153 2 238 . 1 1 36 36 ARG HB2 H 1 1.626 0.050 . 1 . . . . . 36 ARG HB2 . 15153 2 239 . 1 1 36 36 ARG HB3 H 1 1.432 0.050 . 1 . . . . . 36 ARG HB3 . 15153 2 240 . 1 1 36 36 ARG HG2 H 1 0.979 0.050 . 1 . . . . . 36 ARG HG2 . 15153 2 241 . 1 1 36 36 ARG HG3 H 1 0.979 0.050 . 1 . . . . . 36 ARG HG3 . 15153 2 242 . 1 1 36 36 ARG HD2 H 1 2.664 0.050 . 1 . . . . . 36 ARG HD2 . 15153 2 243 . 1 1 36 36 ARG HE H 1 8.388 0.050 . 1 . . . . . 36 ARG HE . 15153 2 244 . 1 1 36 36 ARG N N 15 120.544 0.100 . 1 . . . . . 36 ARG N . 15153 2 245 . 1 1 36 36 ARG NE N 15 123.939 0.100 . 1 . . . . . 36 ARG NE . 15153 2 246 . 1 1 37 37 SER H H 1 7.402 0.050 . 1 . . . . . 37 SER HN . 15153 2 247 . 1 1 37 37 SER N N 15 121.055 0.100 . 1 . . . . . 37 SER N . 15153 2 stop_ save_