################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51941 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Chemical-shifts_H2O_25C _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '2D 1H-1H TOCSY' . . . 51941 1 4 '2D 1H-1H NOESY' . . . 51941 1 5 '2D 1H-13C HSQC aliphatic' . . . 51941 1 6 '2D 1H-13C HSQC aromatic' . . . 51941 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 $software_2 . . 51941 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 TYR HA H 1 4.174 0.002 . 1 . . . . . 1 TYR HA . 51941 1 2 . 1 . 1 1 1 TYR HB2 H 1 2.987 0.002 . 2 . . . . . 1 TYR HB2 . 51941 1 3 . 1 . 1 1 1 TYR HB3 H 1 3.160 0.002 . 2 . . . . . 1 TYR HB3 . 51941 1 4 . 1 . 1 1 1 TYR HD1 H 1 7.070 0.001 . 1 . . . . . 1 TYR HD1 . 51941 1 5 . 1 . 1 1 1 TYR HD2 H 1 7.070 0.001 . 1 . . . . . 1 TYR HD2 . 51941 1 6 . 1 . 1 1 1 TYR HE1 H 1 6.796 0.001 . 1 . . . . . 1 TYR HE1 . 51941 1 7 . 1 . 1 1 1 TYR HE2 H 1 6.796 0.001 . 1 . . . . . 1 TYR HE2 . 51941 1 8 . 1 . 1 1 1 TYR CA C 13 57.247 0.000 . 1 . . . . . 1 TYR CA . 51941 1 9 . 1 . 1 1 1 TYR CB C 13 38.938 0.011 . 1 . . . . . 1 TYR CB . 51941 1 10 . 1 . 1 1 1 TYR CD1 C 13 133.337 0.000 . 1 . . . . . 1 TYR CD1 . 51941 1 11 . 1 . 1 1 1 TYR CD2 C 13 133.337 0.000 . 1 . . . . . 1 TYR CD2 . 51941 1 12 . 1 . 1 1 1 TYR CE1 C 13 118.263 0.000 . 1 . . . . . 1 TYR CE1 . 51941 1 13 . 1 . 1 1 1 TYR CE2 C 13 118.263 0.000 . 1 . . . . . 1 TYR CE2 . 51941 1 14 . 1 . 1 2 2 CYS HA H 1 4.952 0.002 . 1 . . . . . 2 CYS HA . 51941 1 15 . 1 . 1 2 2 CYS HB2 H 1 2.797 0.002 . 2 . . . . . 2 CYS HB2 . 51941 1 16 . 1 . 1 2 2 CYS HB3 H 1 3.007 0.004 . 2 . . . . . 2 CYS HB3 . 51941 1 17 . 1 . 1 2 2 CYS CA C 13 52.044 0.000 . 1 . . . . . 2 CYS CA . 51941 1 18 . 1 . 1 2 2 CYS CB C 13 40.117 0.014 . 1 . . . . . 2 CYS CB . 51941 1 19 . 1 . 1 3 3 PRO HA H 1 4.205 0.002 . 1 . . . . . 3 PRO HA . 51941 1 20 . 1 . 1 3 3 PRO HB2 H 1 1.559 0.005 . 2 . . . . . 3 PRO HB2 . 51941 1 21 . 1 . 1 3 3 PRO HB3 H 1 2.134 0.002 . 2 . . . . . 3 PRO HB3 . 51941 1 22 . 1 . 1 3 3 PRO HG2 H 1 1.645 0.003 . 2 . . . . . 3 PRO HG2 . 51941 1 23 . 1 . 1 3 3 PRO HG3 H 1 1.874 0.001 . 2 . . . . . 3 PRO HG3 . 51941 1 24 . 1 . 1 3 3 PRO HD2 H 1 3.409 0.003 . 2 . . . . . 3 PRO HD2 . 51941 1 25 . 1 . 1 3 3 PRO HD3 H 1 3.552 0.001 . 2 . . . . . 3 PRO HD3 . 51941 1 26 . 1 . 1 3 3 PRO CA C 13 63.768 0.000 . 1 . . . . . 3 PRO CA . 51941 1 27 . 1 . 1 3 3 PRO CB C 13 31.765 0.003 . 1 . . . . . 3 PRO CB . 51941 1 28 . 1 . 1 3 3 PRO CG C 13 26.934 0.003 . 1 . . . . . 3 PRO CG . 51941 1 29 . 1 . 1 3 3 PRO CD C 13 50.856 0.020 . 1 . . . . . 3 PRO CD . 51941 1 30 . 1 . 1 4 4 TYR H H 1 7.881 0.005 . 1 . . . . . 4 TYR H . 51941 1 31 . 1 . 1 4 4 TYR HA H 1 4.574 0.003 . 1 . . . . . 4 TYR HA . 51941 1 32 . 1 . 1 4 4 TYR HB2 H 1 2.772 0.004 . 2 . . . . . 4 TYR HB2 . 51941 1 33 . 1 . 1 4 4 TYR HB3 H 1 3.096 0.001 . 2 . . . . . 4 TYR HB3 . 51941 1 34 . 1 . 1 4 4 TYR HD1 H 1 7.007 0.002 . 1 . . . . . 4 TYR HD1 . 51941 1 35 . 1 . 1 4 4 TYR HD2 H 1 7.007 0.002 . 1 . . . . . 4 TYR HD2 . 51941 1 36 . 1 . 1 4 4 TYR HE1 H 1 6.799 0.000 . 1 . . . . . 4 TYR HE1 . 51941 1 37 . 1 . 1 4 4 TYR HE2 H 1 6.799 0.000 . 1 . . . . . 4 TYR HE2 . 51941 1 38 . 1 . 1 4 4 TYR CA C 13 57.447 0.000 . 1 . . . . . 4 TYR CA . 51941 1 39 . 1 . 1 4 4 TYR CB C 13 38.407 0.000 . 1 . . . . . 4 TYR CB . 51941 1 40 . 1 . 1 4 4 TYR CD1 C 13 133.115 0.000 . 1 . . . . . 4 TYR CD1 . 51941 1 41 . 1 . 1 4 4 TYR CD2 C 13 133.115 0.000 . 1 . . . . . 4 TYR CD2 . 51941 1 42 . 1 . 1 4 4 TYR CE1 C 13 118.273 0.000 . 1 . . . . . 4 TYR CE1 . 51941 1 43 . 1 . 1 4 4 TYR CE2 C 13 118.273 0.000 . 1 . . . . . 4 TYR CE2 . 51941 1 44 . 1 . 1 5 5 GLY H H 1 7.935 0.000 . 1 . . . . . 5 GLY H . 51941 1 45 . 1 . 1 5 5 GLY HA2 H 1 3.791 0.004 . 2 . . . . . 5 GLY HA2 . 51941 1 46 . 1 . 1 5 5 GLY HA3 H 1 4.064 0.003 . 2 . . . . . 5 GLY HA3 . 51941 1 47 . 1 . 1 5 5 GLY CA C 13 45.148 0.006 . 1 . . . . . 5 GLY CA . 51941 1 48 . 1 . 1 6 6 ASN H H 1 8.352 0.000 . 1 . . . . . 6 ASN H . 51941 1 49 . 1 . 1 6 6 ASN HA H 1 4.773 0.000 . 1 . . . . . 6 ASN HA . 51941 1 50 . 1 . 1 6 6 ASN HB2 H 1 2.768 0.005 . 2 . . . . . 6 ASN HB2 . 51941 1 51 . 1 . 1 6 6 ASN HB3 H 1 2.843 0.002 . 2 . . . . . 6 ASN HB3 . 51941 1 52 . 1 . 1 6 6 ASN HD21 H 1 6.904 0.000 . 2 . . . . . 6 ASN HD21 . 51941 1 53 . 1 . 1 6 6 ASN HD22 H 1 7.531 0.001 . 2 . . . . . 6 ASN HD22 . 51941 1 54 . 1 . 1 6 6 ASN CA C 13 53.148 0.000 . 1 . . . . . 6 ASN CA . 51941 1 55 . 1 . 1 6 6 ASN CB C 13 39.114 0.004 . 1 . . . . . 6 ASN CB . 51941 1 56 . 1 . 1 7 7 ARG H H 1 8.290 0.001 . 1 . . . . . 7 ARG H . 51941 1 57 . 1 . 1 7 7 ARG HA H 1 4.250 0.003 . 1 . . . . . 7 ARG HA . 51941 1 58 . 1 . 1 7 7 ARG HB2 H 1 1.687 0.001 . 2 . . . . . 7 ARG HB2 . 51941 1 59 . 1 . 1 7 7 ARG HB3 H 1 1.814 0.005 . 2 . . . . . 7 ARG HB3 . 51941 1 60 . 1 . 1 7 7 ARG HG2 H 1 1.577 0.004 . 2 . . . . . 7 ARG HG2 . 51941 1 61 . 1 . 1 7 7 ARG HG3 H 1 1.577 0.004 . 2 . . . . . 7 ARG HG3 . 51941 1 62 . 1 . 1 7 7 ARG HD2 H 1 2.983 0.002 . 2 . . . . . 7 ARG HD2 . 51941 1 63 . 1 . 1 7 7 ARG HD3 H 1 3.051 0.002 . 2 . . . . . 7 ARG HD3 . 51941 1 64 . 1 . 1 7 7 ARG HE H 1 7.065 0.001 . 1 . . . . . 7 ARG HE . 51941 1 65 . 1 . 1 7 7 ARG CA C 13 56.687 0.000 . 1 . . . . . 7 ARG CA . 51941 1 66 . 1 . 1 7 7 ARG CB C 13 30.767 0.004 . 1 . . . . . 7 ARG CB . 51941 1 67 . 1 . 1 7 7 ARG CG C 13 27.126 0.000 . 1 . . . . . 7 ARG CG . 51941 1 68 . 1 . 1 7 7 ARG CD C 13 43.455 0.013 . 1 . . . . . 7 ARG CD . 51941 1 69 . 1 . 1 8 8 LEU H H 1 8.250 0.001 . 1 . . . . . 8 LEU H . 51941 1 70 . 1 . 1 8 8 LEU HA H 1 4.297 0.004 . 1 . . . . . 8 LEU HA . 51941 1 71 . 1 . 1 8 8 LEU HB2 H 1 1.481 0.003 . 2 . . . . . 8 LEU HB2 . 51941 1 72 . 1 . 1 8 8 LEU HB3 H 1 1.615 0.002 . 2 . . . . . 8 LEU HB3 . 51941 1 73 . 1 . 1 8 8 LEU HD11 H 1 0.850 0.001 . 2 . . . . . 8 LEU QD1 . 51941 1 74 . 1 . 1 8 8 LEU HD12 H 1 0.850 0.001 . 2 . . . . . 8 LEU QD1 . 51941 1 75 . 1 . 1 8 8 LEU HD13 H 1 0.850 0.001 . 2 . . . . . 8 LEU QD1 . 51941 1 76 . 1 . 1 8 8 LEU HD21 H 1 0.901 0.000 . 2 . . . . . 8 LEU QD2 . 51941 1 77 . 1 . 1 8 8 LEU HD22 H 1 0.901 0.000 . 2 . . . . . 8 LEU QD2 . 51941 1 78 . 1 . 1 8 8 LEU HD23 H 1 0.901 0.000 . 2 . . . . . 8 LEU QD2 . 51941 1 79 . 1 . 1 8 8 LEU CA C 13 55.432 0.000 . 1 . . . . . 8 LEU CA . 51941 1 80 . 1 . 1 8 8 LEU CB C 13 42.322 0.003 . 1 . . . . . 8 LEU CB . 51941 1 81 . 1 . 1 8 8 LEU CD1 C 13 23.377 0.000 . 1 . . . . . 8 LEU CD1 . 51941 1 82 . 1 . 1 8 8 LEU CD2 C 13 24.953 0.000 . 1 . . . . . 8 LEU CD2 . 51941 1 83 . 1 . 1 9 9 ASN H H 1 8.403 0.002 . 1 . . . . . 9 ASN H . 51941 1 84 . 1 . 1 9 9 ASN HA H 1 4.573 0.002 . 1 . . . . . 9 ASN HA . 51941 1 85 . 1 . 1 9 9 ASN HB2 H 1 2.744 0.003 . 2 . . . . . 9 ASN HB2 . 51941 1 86 . 1 . 1 9 9 ASN HB3 H 1 2.806 0.006 . 2 . . . . . 9 ASN HB3 . 51941 1 87 . 1 . 1 9 9 ASN HD21 H 1 6.892 0.000 . 2 . . . . . 9 ASN HD21 . 51941 1 88 . 1 . 1 9 9 ASN HD22 H 1 7.560 0.000 . 2 . . . . . 9 ASN HD22 . 51941 1 89 . 1 . 1 9 9 ASN CA C 13 53.446 0.000 . 1 . . . . . 9 ASN CA . 51941 1 90 . 1 . 1 9 9 ASN CB C 13 38.404 0.008 . 1 . . . . . 9 ASN CB . 51941 1 91 . 1 . 1 10 10 TYR H H 1 7.756 0.002 . 1 . . . . . 10 TYR H . 51941 1 92 . 1 . 1 10 10 TYR HA H 1 4.492 0.002 . 1 . . . . . 10 TYR HA . 51941 1 93 . 1 . 1 10 10 TYR HB2 H 1 2.833 0.002 . 2 . . . . . 10 TYR HB2 . 51941 1 94 . 1 . 1 10 10 TYR HB3 H 1 2.833 0.002 . 2 . . . . . 10 TYR HB3 . 51941 1 95 . 1 . 1 10 10 TYR HD1 H 1 6.971 0.001 . 1 . . . . . 10 TYR HD1 . 51941 1 96 . 1 . 1 10 10 TYR HD2 H 1 6.971 0.001 . 1 . . . . . 10 TYR HD2 . 51941 1 97 . 1 . 1 10 10 TYR HE1 H 1 6.787 0.001 . 1 . . . . . 10 TYR HE1 . 51941 1 98 . 1 . 1 10 10 TYR HE2 H 1 6.787 0.001 . 1 . . . . . 10 TYR HE2 . 51941 1 99 . 1 . 1 10 10 TYR CA C 13 57.984 0.000 . 1 . . . . . 10 TYR CA . 51941 1 100 . 1 . 1 10 10 TYR CB C 13 39.601 0.000 . 1 . . . . . 10 TYR CB . 51941 1 101 . 1 . 1 10 10 TYR CD1 C 13 133.173 0.000 . 1 . . . . . 10 TYR CD1 . 51941 1 102 . 1 . 1 10 10 TYR CD2 C 13 133.173 0.000 . 1 . . . . . 10 TYR CD2 . 51941 1 103 . 1 . 1 10 10 TYR CE1 C 13 118.333 0.000 . 1 . . . . . 10 TYR CE1 . 51941 1 104 . 1 . 1 10 10 TYR CE2 C 13 118.333 0.000 . 1 . . . . . 10 TYR CE2 . 51941 1 105 . 1 . 1 11 11 PHE H H 1 8.132 0.002 . 1 . . . . . 11 PHE H . 51941 1 106 . 1 . 1 11 11 PHE HA H 1 4.486 0.001 . 1 . . . . . 11 PHE HA . 51941 1 107 . 1 . 1 11 11 PHE HB2 H 1 2.955 0.003 . 2 . . . . . 11 PHE HB2 . 51941 1 108 . 1 . 1 11 11 PHE HB3 H 1 2.955 0.003 . 2 . . . . . 11 PHE HB3 . 51941 1 109 . 1 . 1 11 11 PHE HD1 H 1 7.172 0.001 . 1 . . . . . 11 PHE HD1 . 51941 1 110 . 1 . 1 11 11 PHE HD2 H 1 7.172 0.001 . 1 . . . . . 11 PHE HD2 . 51941 1 111 . 1 . 1 11 11 PHE HE1 H 1 7.323 0.000 . 1 . . . . . 11 PHE HE1 . 51941 1 112 . 1 . 1 11 11 PHE HE2 H 1 7.323 0.000 . 1 . . . . . 11 PHE HE2 . 51941 1 113 . 1 . 1 11 11 PHE HZ H 1 7.304 0.000 . 1 . . . . . 11 PHE HZ . 51941 1 114 . 1 . 1 11 11 PHE CA C 13 57.942 0.000 . 1 . . . . . 11 PHE CA . 51941 1 115 . 1 . 1 11 11 PHE CB C 13 39.386 0.000 . 1 . . . . . 11 PHE CB . 51941 1 116 . 1 . 1 11 11 PHE CD1 C 13 131.857 0.000 . 1 . . . . . 11 PHE CD1 . 51941 1 117 . 1 . 1 11 11 PHE CD2 C 13 131.857 0.000 . 1 . . . . . 11 PHE CD2 . 51941 1 118 . 1 . 1 11 11 PHE CE1 C 13 131.396 0.000 . 1 . . . . . 11 PHE CE1 . 51941 1 119 . 1 . 1 11 11 PHE CE2 C 13 131.396 0.000 . 1 . . . . . 11 PHE CE2 . 51941 1 120 . 1 . 1 11 11 PHE CZ C 13 129.878 0.000 . 1 . . . . . 11 PHE CZ . 51941 1 121 . 1 . 1 12 12 CYS H H 1 8.172 0.002 . 1 . . . . . 12 CYS H . 51941 1 122 . 1 . 1 12 12 CYS HA H 1 4.859 0.002 . 1 . . . . . 12 CYS HA . 51941 1 123 . 1 . 1 12 12 CYS HB2 H 1 2.854 0.005 . 2 . . . . . 12 CYS HB2 . 51941 1 124 . 1 . 1 12 12 CYS HB3 H 1 3.047 0.003 . 2 . . . . . 12 CYS HB3 . 51941 1 125 . 1 . 1 12 12 CYS CA C 13 52.552 0.000 . 1 . . . . . 12 CYS CA . 51941 1 126 . 1 . 1 12 12 CYS CB C 13 41.304 0.001 . 1 . . . . . 12 CYS CB . 51941 1 127 . 1 . 1 13 13 PRO HA H 1 4.252 0.002 . 1 . . . . . 13 PRO HA . 51941 1 128 . 1 . 1 13 13 PRO HB2 H 1 1.759 0.002 . 2 . . . . . 13 PRO HB2 . 51941 1 129 . 1 . 1 13 13 PRO HB3 H 1 2.339 0.003 . 2 . . . . . 13 PRO HB3 . 51941 1 130 . 1 . 1 13 13 PRO HG2 H 1 1.949 0.003 . 2 . . . . . 13 PRO HG2 . 51941 1 131 . 1 . 1 13 13 PRO HG3 H 1 1.949 0.003 . 2 . . . . . 13 PRO HG3 . 51941 1 132 . 1 . 1 13 13 PRO HD2 H 1 3.429 0.003 . 2 . . . . . 13 PRO HD2 . 51941 1 133 . 1 . 1 13 13 PRO HD3 H 1 3.703 0.002 . 2 . . . . . 13 PRO HD3 . 51941 1 134 . 1 . 1 13 13 PRO CA C 13 63.104 0.000 . 1 . . . . . 13 PRO CA . 51941 1 135 . 1 . 1 13 13 PRO CB C 13 32.309 0.005 . 1 . . . . . 13 PRO CB . 51941 1 136 . 1 . 1 13 13 PRO CG C 13 27.386 0.000 . 1 . . . . . 13 PRO CG . 51941 1 137 . 1 . 1 13 13 PRO CD C 13 51.148 0.007 . 1 . . . . . 13 PRO CD . 51941 1 138 . 1 . 1 14 14 LEU H H 1 8.177 0.001 . 1 . . . . . 14 LEU H . 51941 1 139 . 1 . 1 14 14 LEU HA H 1 4.133 0.002 . 1 . . . . . 14 LEU HA . 51941 1 140 . 1 . 1 14 14 LEU HB2 H 1 1.593 0.002 . 2 . . . . . 14 LEU HB2 . 51941 1 141 . 1 . 1 14 14 LEU HB3 H 1 1.642 0.003 . 2 . . . . . 14 LEU HB3 . 51941 1 142 . 1 . 1 14 14 LEU HD11 H 1 0.923 0.000 . 2 . . . . . 14 LEU QD1 . 51941 1 143 . 1 . 1 14 14 LEU HD12 H 1 0.923 0.000 . 2 . . . . . 14 LEU QD1 . 51941 1 144 . 1 . 1 14 14 LEU HD13 H 1 0.923 0.000 . 2 . . . . . 14 LEU QD1 . 51941 1 145 . 1 . 1 14 14 LEU HD21 H 1 0.962 0.000 . 2 . . . . . 14 LEU QD2 . 51941 1 146 . 1 . 1 14 14 LEU HD22 H 1 0.962 0.000 . 2 . . . . . 14 LEU QD2 . 51941 1 147 . 1 . 1 14 14 LEU HD23 H 1 0.962 0.000 . 2 . . . . . 14 LEU QD2 . 51941 1 148 . 1 . 1 14 14 LEU CA C 13 56.457 0.000 . 1 . . . . . 14 LEU CA . 51941 1 149 . 1 . 1 14 14 LEU CB C 13 41.833 0.004 . 1 . . . . . 14 LEU CB . 51941 1 150 . 1 . 1 14 14 LEU CD1 C 13 24.017 0.000 . 1 . . . . . 14 LEU CD1 . 51941 1 151 . 1 . 1 14 14 LEU CD2 C 13 24.633 0.000 . 1 . . . . . 14 LEU CD2 . 51941 1 152 . 1 . 1 15 15 GLY H H 1 8.723 0.001 . 1 . . . . . 15 GLY H . 51941 1 153 . 1 . 1 15 15 GLY HA2 H 1 3.712 0.003 . 2 . . . . . 15 GLY HA2 . 51941 1 154 . 1 . 1 15 15 GLY HA3 H 1 4.195 0.005 . 2 . . . . . 15 GLY HA3 . 51941 1 155 . 1 . 1 15 15 GLY CA C 13 45.453 0.000 . 1 . . . . . 15 GLY CA . 51941 1 156 . 1 . 1 16 16 ARG H H 1 7.828 0.002 . 1 . . . . . 16 ARG H . 51941 1 157 . 1 . 1 16 16 ARG HA H 1 4.605 0.003 . 1 . . . . . 16 ARG HA . 51941 1 158 . 1 . 1 16 16 ARG HB2 H 1 1.870 0.003 . 2 . . . . . 16 ARG HB2 . 51941 1 159 . 1 . 1 16 16 ARG HB3 H 1 1.870 0.003 . 2 . . . . . 16 ARG HB3 . 51941 1 160 . 1 . 1 16 16 ARG HG2 H 1 1.575 0.004 . 2 . . . . . 16 ARG HG2 . 51941 1 161 . 1 . 1 16 16 ARG HG3 H 1 1.575 0.004 . 2 . . . . . 16 ARG HG3 . 51941 1 162 . 1 . 1 16 16 ARG HD2 H 1 3.116 0.003 . 2 . . . . . 16 ARG HD2 . 51941 1 163 . 1 . 1 16 16 ARG HD3 H 1 3.159 0.005 . 2 . . . . . 16 ARG HD3 . 51941 1 164 . 1 . 1 16 16 ARG HE H 1 7.194 0.000 . 1 . . . . . 16 ARG HE . 51941 1 165 . 1 . 1 16 16 ARG CA C 13 54.752 0.000 . 1 . . . . . 16 ARG CA . 51941 1 166 . 1 . 1 16 16 ARG CB C 13 31.594 0.000 . 1 . . . . . 16 ARG CB . 51941 1 167 . 1 . 1 16 16 ARG CG C 13 27.112 0.000 . 1 . . . . . 16 ARG CG . 51941 1 168 . 1 . 1 16 16 ARG CD C 13 43.195 0.005 . 1 . . . . . 16 ARG CD . 51941 1 169 . 1 . 1 17 17 THR H H 1 8.374 0.003 . 1 . . . . . 17 THR H . 51941 1 170 . 1 . 1 17 17 THR HA H 1 4.401 0.002 . 1 . . . . . 17 THR HA . 51941 1 171 . 1 . 1 17 17 THR HB H 1 4.095 0.002 . 1 . . . . . 17 THR HB . 51941 1 172 . 1 . 1 17 17 THR HG21 H 1 1.191 0.002 . 1 . . . . . 17 THR QG2 . 51941 1 173 . 1 . 1 17 17 THR HG22 H 1 1.191 0.002 . 1 . . . . . 17 THR QG2 . 51941 1 174 . 1 . 1 17 17 THR HG23 H 1 1.191 0.002 . 1 . . . . . 17 THR QG2 . 51941 1 175 . 1 . 1 17 17 THR CA C 13 62.325 0.000 . 1 . . . . . 17 THR CA . 51941 1 176 . 1 . 1 17 17 THR CB C 13 69.738 0.000 . 1 . . . . . 17 THR CB . 51941 1 177 . 1 . 1 17 17 THR CG2 C 13 21.750 0.000 . 1 . . . . . 17 THR CG2 . 51941 1 178 . 1 . 1 18 18 CYS H H 1 8.757 0.002 . 1 . . . . . 18 CYS H . 51941 1 179 . 1 . 1 18 18 CYS HA H 1 4.862 0.003 . 1 . . . . . 18 CYS HA . 51941 1 180 . 1 . 1 18 18 CYS HB2 H 1 3.091 0.003 . 2 . . . . . 18 CYS HB2 . 51941 1 181 . 1 . 1 18 18 CYS HB3 H 1 3.291 0.002 . 2 . . . . . 18 CYS HB3 . 51941 1 182 . 1 . 1 18 18 CYS CA C 13 56.260 0.000 . 1 . . . . . 18 CYS CA . 51941 1 183 . 1 . 1 18 18 CYS CB C 13 41.819 0.009 . 1 . . . . . 18 CYS CB . 51941 1 184 . 1 . 1 19 19 CYS H H 1 8.530 0.002 . 1 . . . . . 19 CYS H . 51941 1 185 . 1 . 1 19 19 CYS HA H 1 4.820 0.003 . 1 . . . . . 19 CYS HA . 51941 1 186 . 1 . 1 19 19 CYS HB2 H 1 2.967 0.004 . 2 . . . . . 19 CYS HB2 . 51941 1 187 . 1 . 1 19 19 CYS HB3 H 1 3.296 0.001 . 2 . . . . . 19 CYS HB3 . 51941 1 188 . 1 . 1 19 19 CYS CA C 13 54.757 0.000 . 1 . . . . . 19 CYS CA . 51941 1 189 . 1 . 1 19 19 CYS CB C 13 39.983 0.008 . 1 . . . . . 19 CYS CB . 51941 1 190 . 1 . 1 20 20 ARG H H 1 8.455 0.001 . 1 . . . . . 20 ARG H . 51941 1 191 . 1 . 1 20 20 ARG HA H 1 4.344 0.003 . 1 . . . . . 20 ARG HA . 51941 1 192 . 1 . 1 20 20 ARG HB2 H 1 1.639 0.003 . 2 . . . . . 20 ARG HB2 . 51941 1 193 . 1 . 1 20 20 ARG HB3 H 1 1.775 0.002 . 2 . . . . . 20 ARG HB3 . 51941 1 194 . 1 . 1 20 20 ARG HG2 H 1 1.548 0.001 . 2 . . . . . 20 ARG HG2 . 51941 1 195 . 1 . 1 20 20 ARG HG3 H 1 1.548 0.001 . 2 . . . . . 20 ARG HG3 . 51941 1 196 . 1 . 1 20 20 ARG HD2 H 1 3.131 0.003 . 2 . . . . . 20 ARG HD2 . 51941 1 197 . 1 . 1 20 20 ARG HD3 H 1 3.131 0.003 . 2 . . . . . 20 ARG HD3 . 51941 1 198 . 1 . 1 20 20 ARG HE H 1 7.058 0.003 . 1 . . . . . 20 ARG HE . 51941 1 199 . 1 . 1 20 20 ARG CA C 13 56.105 0.000 . 1 . . . . . 20 ARG CA . 51941 1 200 . 1 . 1 20 20 ARG CB C 13 31.544 0.023 . 1 . . . . . 20 ARG CB . 51941 1 201 . 1 . 1 20 20 ARG CG C 13 27.097 0.000 . 1 . . . . . 20 ARG CG . 51941 1 202 . 1 . 1 20 20 ARG CD C 13 43.468 0.000 . 1 . . . . . 20 ARG CD . 51941 1 203 . 1 . 1 21 21 ARG H H 1 8.420 0.002 . 1 . . . . . 21 ARG H . 51941 1 204 . 1 . 1 21 21 ARG HA H 1 4.169 0.005 . 1 . . . . . 21 ARG HA . 51941 1 205 . 1 . 1 21 21 ARG HB2 H 1 1.610 0.006 . 2 . . . . . 21 ARG HB2 . 51941 1 206 . 1 . 1 21 21 ARG HB3 H 1 1.690 0.004 . 2 . . . . . 21 ARG HB3 . 51941 1 207 . 1 . 1 21 21 ARG HG2 H 1 1.477 0.003 . 2 . . . . . 21 ARG HG2 . 51941 1 208 . 1 . 1 21 21 ARG HG3 H 1 1.477 0.003 . 2 . . . . . 21 ARG HG3 . 51941 1 209 . 1 . 1 21 21 ARG HD2 H 1 3.069 0.002 . 2 . . . . . 21 ARG HD2 . 51941 1 210 . 1 . 1 21 21 ARG HD3 H 1 3.069 0.002 . 2 . . . . . 21 ARG HD3 . 51941 1 211 . 1 . 1 21 21 ARG HE H 1 7.027 0.000 . 1 . . . . . 21 ARG HE . 51941 1 212 . 1 . 1 21 21 ARG CA C 13 56.326 0.000 . 1 . . . . . 21 ARG CA . 51941 1 213 . 1 . 1 21 21 ARG CB C 13 31.018 0.001 . 1 . . . . . 21 ARG CB . 51941 1 214 . 1 . 1 21 21 ARG CG C 13 27.082 0.000 . 1 . . . . . 21 ARG CG . 51941 1 215 . 1 . 1 21 21 ARG CD C 13 43.391 0.000 . 1 . . . . . 21 ARG CD . 51941 1 216 . 1 . 1 22 22 SER H H 1 8.120 0.001 . 1 . . . . . 22 SER H . 51941 1 217 . 1 . 1 22 22 SER HA H 1 4.269 0.003 . 1 . . . . . 22 SER HA . 51941 1 218 . 1 . 1 22 22 SER HB2 H 1 3.698 0.003 . 2 . . . . . 22 SER HB2 . 51941 1 219 . 1 . 1 22 22 SER HB3 H 1 3.698 0.003 . 2 . . . . . 22 SER HB3 . 51941 1 220 . 1 . 1 22 22 SER CA C 13 57.810 0.000 . 1 . . . . . 22 SER CA . 51941 1 221 . 1 . 1 22 22 SER CB C 13 63.993 0.000 . 1 . . . . . 22 SER CB . 51941 1 222 . 1 . 1 23 23 TYR H H 1 8.152 0.002 . 1 . . . . . 23 TYR H . 51941 1 223 . 1 . 1 23 23 TYR HA H 1 4.504 0.005 . 1 . . . . . 23 TYR HA . 51941 1 224 . 1 . 1 23 23 TYR HB2 H 1 2.881 0.001 . 2 . . . . . 23 TYR HB2 . 51941 1 225 . 1 . 1 23 23 TYR HB3 H 1 3.064 0.003 . 2 . . . . . 23 TYR HB3 . 51941 1 226 . 1 . 1 23 23 TYR HD1 H 1 7.121 0.002 . 1 . . . . . 23 TYR HD1 . 51941 1 227 . 1 . 1 23 23 TYR HD2 H 1 7.121 0.002 . 1 . . . . . 23 TYR HD2 . 51941 1 228 . 1 . 1 23 23 TYR HE1 H 1 6.809 0.003 . 1 . . . . . 23 TYR HE1 . 51941 1 229 . 1 . 1 23 23 TYR HE2 H 1 6.809 0.003 . 1 . . . . . 23 TYR HE2 . 51941 1 230 . 1 . 1 23 23 TYR CA C 13 57.834 0.000 . 1 . . . . . 23 TYR CA . 51941 1 231 . 1 . 1 23 23 TYR CB C 13 39.095 0.003 . 1 . . . . . 23 TYR CB . 51941 1 232 . 1 . 1 23 23 TYR CD1 C 13 133.297 0.000 . 1 . . . . . 23 TYR CD1 . 51941 1 233 . 1 . 1 23 23 TYR CD2 C 13 133.297 0.000 . 1 . . . . . 23 TYR CD2 . 51941 1 234 . 1 . 1 23 23 TYR CE1 C 13 118.159 0.000 . 1 . . . . . 23 TYR CE1 . 51941 1 235 . 1 . 1 23 23 TYR CE2 C 13 118.159 0.000 . 1 . . . . . 23 TYR CE2 . 51941 1 236 . 1 . 1 24 24 NH2 HN1 H 1 7.112 0.000 . 2 . . . . . 24 NH2 HN1 . 51941 1 237 . 1 . 1 24 24 NH2 HN2 H 1 7.537 0.001 . 2 . . . . . 24 NH2 HN2 . 51941 1 stop_ save_