################################### # 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 50376 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name barr1_tfe _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 2 '2D 1H-1H COSY' . . . 50376 1 3 '2D 1H-1H TOCSY' . . . 50376 1 4 '2D 1H-1H NOESY' . . . 50376 1 5 '2D 1H-13C HSQC aliphatic' . . . 50376 1 6 '2D 1H-13C HSQC aromatic' . . . 50376 1 7 '2D 1H-15N HSQC' . . . 50376 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 . . 50376 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 ACE H1 H 1 1.977 0.000 . 1 . . . . . 0 ACE H1 . 50376 1 2 . 1 . 1 1 1 ACE H2 H 1 1.977 0.000 . 1 . . . . . 0 ACE H2 . 50376 1 3 . 1 . 1 1 1 ACE H3 H 1 1.977 0.000 . 1 . . . . . 0 ACE H3 . 50376 1 4 . 1 . 1 1 1 ACE CH3 C 13 24.150 0.000 . 1 . . . . . 0 ACE CH3 . 50376 1 5 . 1 . 1 2 2 TYR H H 1 8.046 0.004 . 1 . . . . . 1 TYR H . 50376 1 6 . 1 . 1 2 2 TYR HA H 1 4.536 0.009 . 1 . . . . . 1 TYR HA . 50376 1 7 . 1 . 1 2 2 TYR HB2 H 1 3.090 0.002 . 2 . . . . . 1 TYR HB2 . 50376 1 8 . 1 . 1 2 2 TYR HB3 H 1 2.932 0.001 . 2 . . . . . 1 TYR HB3 . 50376 1 9 . 1 . 1 2 2 TYR HD1 H 1 7.156 0.005 . 1 . . . . . 1 TYR HD1 . 50376 1 10 . 1 . 1 2 2 TYR HD2 H 1 7.156 0.005 . 1 . . . . . 1 TYR HD2 . 50376 1 11 . 1 . 1 2 2 TYR HE1 H 1 6.858 0.002 . 1 . . . . . 1 TYR HE1 . 50376 1 12 . 1 . 1 2 2 TYR HE2 H 1 6.858 0.002 . 1 . . . . . 1 TYR HE2 . 50376 1 13 . 1 . 1 2 2 TYR CA C 13 58.425 0.000 . 1 . . . . . 1 TYR CA . 50376 1 14 . 1 . 1 2 2 TYR CB C 13 38.966 0.013 . 1 . . . . . 1 TYR CB . 50376 1 15 . 1 . 1 2 2 TYR CD1 C 13 133.016 0.018 . 1 . . . . . 1 TYR CD1 . 50376 1 16 . 1 . 1 2 2 TYR CD2 C 13 133.016 0.018 . 1 . . . . . 1 TYR CD2 . 50376 1 17 . 1 . 1 2 2 TYR CE1 C 13 118.118 0.002 . 1 . . . . . 1 TYR CE1 . 50376 1 18 . 1 . 1 2 2 TYR CE2 C 13 118.118 0.002 . 1 . . . . . 1 TYR CE2 . 50376 1 19 . 1 . 1 2 2 TYR N N 15 125.240 0.000 . 1 . . . . . 1 TYR N . 50376 1 20 . 1 . 1 3 3 GLY H H 1 8.502 0.003 . 1 . . . . . 2 GLY H . 50376 1 21 . 1 . 1 3 3 GLY HA2 H 1 4.011 0.006 . 2 . . . . . 2 GLY HA2 . 50376 1 22 . 1 . 1 3 3 GLY HA3 H 1 3.936 0.001 . 2 . . . . . 2 GLY HA3 . 50376 1 23 . 1 . 1 3 3 GLY CA C 13 45.206 0.001 . 1 . . . . . 2 GLY CA . 50376 1 24 . 1 . 1 3 3 GLY N N 15 110.572 0.000 . 1 . . . . . 2 GLY N . 50376 1 25 . 1 . 1 4 4 ARG H H 1 8.008 0.004 . 1 . . . . . 3 ARG H . 50376 1 26 . 1 . 1 4 4 ARG HA H 1 4.386 0.005 . 1 . . . . . 3 ARG HA . 50376 1 27 . 1 . 1 4 4 ARG HB2 H 1 1.980 0.005 . 2 . . . . . 3 ARG HB2 . 50376 1 28 . 1 . 1 4 4 ARG HB3 H 1 1.830 0.002 . 2 . . . . . 3 ARG HB3 . 50376 1 29 . 1 . 1 4 4 ARG HG2 H 1 1.677 0.003 . 2 . . . . . 3 ARG HG2 . 50376 1 30 . 1 . 1 4 4 ARG HG3 H 1 1.677 0.003 . 2 . . . . . 3 ARG HG3 . 50376 1 31 . 1 . 1 4 4 ARG HD2 H 1 3.229 0.001 . 2 . . . . . 3 ARG HD2 . 50376 1 32 . 1 . 1 4 4 ARG HD3 H 1 3.229 0.001 . 2 . . . . . 3 ARG HD3 . 50376 1 33 . 1 . 1 4 4 ARG HE H 1 7.810 0.003 . 1 . . . . . 3 ARG HE . 50376 1 34 . 1 . 1 4 4 ARG HH21 H 1 6.737 0.000 . 2 . . . . . 3 ARG HH21 . 50376 1 35 . 1 . 1 4 4 ARG HH22 H 1 6.737 0.000 . 2 . . . . . 3 ARG HH22 . 50376 1 36 . 1 . 1 4 4 ARG CA C 13 56.317 0.000 . 1 . . . . . 3 ARG CA . 50376 1 37 . 1 . 1 4 4 ARG CB C 13 30.850 0.004 . 1 . . . . . 3 ARG CB . 50376 1 38 . 1 . 1 4 4 ARG CG C 13 27.086 0.000 . 1 . . . . . 3 ARG CG . 50376 1 39 . 1 . 1 4 4 ARG CD C 13 43.144 0.000 . 1 . . . . . 3 ARG CD . 50376 1 40 . 1 . 1 4 4 ARG N N 15 119.746 0.000 . 1 . . . . . 3 ARG N . 50376 1 41 . 1 . 1 4 4 ARG NE N 15 84.509 0.000 . 1 . . . . . 3 ARG NE . 50376 1 42 . 1 . 1 5 5 GLU H H 1 8.911 0.003 . 1 . . . . . 4 GLU H . 50376 1 43 . 1 . 1 5 5 GLU HA H 1 4.289 0.005 . 1 . . . . . 4 GLU HA . 50376 1 44 . 1 . 1 5 5 GLU HB2 H 1 2.127 0.004 . 2 . . . . . 4 GLU HB2 . 50376 1 45 . 1 . 1 5 5 GLU HB3 H 1 2.038 0.003 . 2 . . . . . 4 GLU HB3 . 50376 1 46 . 1 . 1 5 5 GLU HG2 H 1 2.390 0.002 . 2 . . . . . 4 GLU HG2 . 50376 1 47 . 1 . 1 5 5 GLU HG3 H 1 2.390 0.002 . 2 . . . . . 4 GLU HG3 . 50376 1 48 . 1 . 1 5 5 GLU CA C 13 58.010 0.000 . 1 . . . . . 4 GLU CA . 50376 1 49 . 1 . 1 5 5 GLU CB C 13 29.395 0.002 . 1 . . . . . 4 GLU CB . 50376 1 50 . 1 . 1 5 5 GLU CG C 13 35.778 0.000 . 1 . . . . . 4 GLU CG . 50376 1 51 . 1 . 1 5 5 GLU N N 15 121.225 0.000 . 1 . . . . . 4 GLU N . 50376 1 52 . 1 . 1 6 6 ASP H H 1 8.341 0.003 . 1 . . . . . 5 ASP H . 50376 1 53 . 1 . 1 6 6 ASP HA H 1 4.534 0.006 . 1 . . . . . 5 ASP HA . 50376 1 54 . 1 . 1 6 6 ASP HB2 H 1 2.737 0.003 . 2 . . . . . 5 ASP HB2 . 50376 1 55 . 1 . 1 6 6 ASP HB3 H 1 2.737 0.003 . 2 . . . . . 5 ASP HB3 . 50376 1 56 . 1 . 1 6 6 ASP CA C 13 55.072 0.000 . 1 . . . . . 5 ASP CA . 50376 1 57 . 1 . 1 6 6 ASP CB C 13 40.181 0.000 . 1 . . . . . 5 ASP CB . 50376 1 58 . 1 . 1 6 6 ASP N N 15 118.697 0.000 . 1 . . . . . 5 ASP N . 50376 1 59 . 1 . 1 7 7 LEU H H 1 7.838 0.003 . 1 . . . . . 6 LEU H . 50376 1 60 . 1 . 1 7 7 LEU HA H 1 4.261 0.004 . 1 . . . . . 6 LEU HA . 50376 1 61 . 1 . 1 7 7 LEU HB2 H 1 1.752 0.002 . 2 . . . . . 6 LEU HB2 . 50376 1 62 . 1 . 1 7 7 LEU HB3 H 1 1.601 0.002 . 2 . . . . . 6 LEU HB3 . 50376 1 63 . 1 . 1 7 7 LEU HG H 1 1.679 0.005 . 1 . . . . . 6 LEU HG . 50376 1 64 . 1 . 1 7 7 LEU HD11 H 1 0.861 0.001 . 2 . . . . . 6 LEU QD1 . 50376 1 65 . 1 . 1 7 7 LEU HD12 H 1 0.861 0.001 . 2 . . . . . 6 LEU QD1 . 50376 1 66 . 1 . 1 7 7 LEU HD13 H 1 0.861 0.001 . 2 . . . . . 6 LEU QD1 . 50376 1 67 . 1 . 1 7 7 LEU HD21 H 1 0.930 0.002 . 2 . . . . . 6 LEU QD2 . 50376 1 68 . 1 . 1 7 7 LEU HD22 H 1 0.930 0.002 . 2 . . . . . 6 LEU QD2 . 50376 1 69 . 1 . 1 7 7 LEU HD23 H 1 0.930 0.002 . 2 . . . . . 6 LEU QD2 . 50376 1 70 . 1 . 1 7 7 LEU CA C 13 56.258 0.000 . 1 . . . . . 6 LEU CA . 50376 1 71 . 1 . 1 7 7 LEU CB C 13 42.191 0.013 . 1 . . . . . 6 LEU CB . 50376 1 72 . 1 . 1 7 7 LEU CG C 13 26.909 0.000 . 1 . . . . . 6 LEU CG . 50376 1 73 . 1 . 1 7 7 LEU CD1 C 13 22.870 0.000 . 1 . . . . . 6 LEU CD1 . 50376 1 74 . 1 . 1 7 7 LEU CD2 C 13 24.469 0.000 . 1 . . . . . 6 LEU CD2 . 50376 1 75 . 1 . 1 7 7 LEU N N 15 120.164 0.000 . 1 . . . . . 6 LEU N . 50376 1 76 . 1 . 1 8 8 ASP H H 1 8.177 0.003 . 1 . . . . . 7 ASP H . 50376 1 77 . 1 . 1 8 8 ASP HA H 1 4.625 0.011 . 1 . . . . . 7 ASP HA . 50376 1 78 . 1 . 1 8 8 ASP HB2 H 1 2.796 0.003 . 2 . . . . . 7 ASP HB2 . 50376 1 79 . 1 . 1 8 8 ASP HB3 H 1 2.796 0.003 . 2 . . . . . 7 ASP HB3 . 50376 1 80 . 1 . 1 8 8 ASP CA C 13 55.495 0.000 . 1 . . . . . 7 ASP CA . 50376 1 81 . 1 . 1 8 8 ASP CB C 13 40.032 0.000 . 1 . . . . . 7 ASP CB . 50376 1 82 . 1 . 1 8 8 ASP N N 15 120.704 0.000 . 1 . . . . . 7 ASP N . 50376 1 83 . 1 . 1 9 9 VAL H H 1 7.886 0.003 . 1 . . . . . 8 VAL H . 50376 1 84 . 1 . 1 9 9 VAL HA H 1 3.846 0.002 . 1 . . . . . 8 VAL HA . 50376 1 85 . 1 . 1 9 9 VAL HB H 1 2.191 0.002 . 1 . . . . . 8 VAL HB . 50376 1 86 . 1 . 1 9 9 VAL HG11 H 1 0.978 0.005 . 2 . . . . . 8 VAL QG1 . 50376 1 87 . 1 . 1 9 9 VAL HG12 H 1 0.978 0.005 . 2 . . . . . 8 VAL QG1 . 50376 1 88 . 1 . 1 9 9 VAL HG13 H 1 0.978 0.005 . 2 . . . . . 8 VAL QG1 . 50376 1 89 . 1 . 1 9 9 VAL HG21 H 1 1.056 0.002 . 2 . . . . . 8 VAL QG2 . 50376 1 90 . 1 . 1 9 9 VAL HG22 H 1 1.056 0.002 . 2 . . . . . 8 VAL QG2 . 50376 1 91 . 1 . 1 9 9 VAL HG23 H 1 1.056 0.002 . 2 . . . . . 8 VAL QG2 . 50376 1 92 . 1 . 1 9 9 VAL CA C 13 65.280 0.000 . 1 . . . . . 8 VAL CA . 50376 1 93 . 1 . 1 9 9 VAL CB C 13 31.950 0.000 . 1 . . . . . 8 VAL CB . 50376 1 94 . 1 . 1 9 9 VAL CG1 C 13 20.649 0.000 . 1 . . . . . 8 VAL CG1 . 50376 1 95 . 1 . 1 9 9 VAL CG2 C 13 21.155 0.000 . 1 . . . . . 8 VAL CG2 . 50376 1 96 . 1 . 1 9 9 VAL N N 15 119.805 0.000 . 1 . . . . . 8 VAL N . 50376 1 97 . 1 . 1 10 10 LEU H H 1 8.049 0.005 . 1 . . . . . 9 LEU H . 50376 1 98 . 1 . 1 10 10 LEU HA H 1 4.172 0.003 . 1 . . . . . 9 LEU HA . 50376 1 99 . 1 . 1 10 10 LEU HB2 H 1 1.834 0.006 . 2 . . . . . 9 LEU HB2 . 50376 1 100 . 1 . 1 10 10 LEU HB3 H 1 1.633 0.007 . 2 . . . . . 9 LEU HB3 . 50376 1 101 . 1 . 1 10 10 LEU HG H 1 1.730 0.006 . 1 . . . . . 9 LEU HG . 50376 1 102 . 1 . 1 10 10 LEU HD11 H 1 0.897 0.003 . 2 . . . . . 9 LEU QD1 . 50376 1 103 . 1 . 1 10 10 LEU HD12 H 1 0.897 0.003 . 2 . . . . . 9 LEU QD1 . 50376 1 104 . 1 . 1 10 10 LEU HD13 H 1 0.897 0.003 . 2 . . . . . 9 LEU QD1 . 50376 1 105 . 1 . 1 10 10 LEU HD21 H 1 0.931 0.001 . 2 . . . . . 9 LEU QD2 . 50376 1 106 . 1 . 1 10 10 LEU HD22 H 1 0.931 0.001 . 2 . . . . . 9 LEU QD2 . 50376 1 107 . 1 . 1 10 10 LEU HD23 H 1 0.931 0.001 . 2 . . . . . 9 LEU QD2 . 50376 1 108 . 1 . 1 10 10 LEU CA C 13 57.352 0.000 . 1 . . . . . 9 LEU CA . 50376 1 109 . 1 . 1 10 10 LEU CB C 13 41.709 0.002 . 1 . . . . . 9 LEU CB . 50376 1 110 . 1 . 1 10 10 LEU CG C 13 26.995 0.000 . 1 . . . . . 9 LEU CG . 50376 1 111 . 1 . 1 10 10 LEU CD1 C 13 22.781 0.000 . 1 . . . . . 9 LEU CD1 . 50376 1 112 . 1 . 1 10 10 LEU CD2 C 13 24.469 0.000 . 1 . . . . . 9 LEU CD2 . 50376 1 113 . 1 . 1 10 10 LEU N N 15 121.336 0.000 . 1 . . . . . 9 LEU N . 50376 1 114 . 1 . 1 11 11 GLY H H 1 8.148 0.003 . 1 . . . . . 10 GLY H . 50376 1 115 . 1 . 1 11 11 GLY HA2 H 1 3.944 0.003 . 2 . . . . . 10 GLY HA2 . 50376 1 116 . 1 . 1 11 11 GLY HA3 H 1 3.898 0.002 . 2 . . . . . 10 GLY HA3 . 50376 1 117 . 1 . 1 11 11 GLY CA C 13 46.721 0.001 . 1 . . . . . 10 GLY CA . 50376 1 118 . 1 . 1 11 11 GLY N N 15 106.627 0.000 . 1 . . . . . 10 GLY N . 50376 1 119 . 1 . 1 12 12 LEU H H 1 8.043 0.003 . 1 . . . . . 11 LEU H . 50376 1 120 . 1 . 1 12 12 LEU HA H 1 4.226 0.003 . 1 . . . . . 11 LEU HA . 50376 1 121 . 1 . 1 12 12 LEU HB2 H 1 1.858 0.007 . 2 . . . . . 11 LEU HB2 . 50376 1 122 . 1 . 1 12 12 LEU HB3 H 1 1.619 0.004 . 2 . . . . . 11 LEU HB3 . 50376 1 123 . 1 . 1 12 12 LEU HG H 1 1.771 0.019 . 1 . . . . . 11 LEU HG . 50376 1 124 . 1 . 1 12 12 LEU HD11 H 1 0.902 0.007 . 2 . . . . . 11 LEU QD1 . 50376 1 125 . 1 . 1 12 12 LEU HD12 H 1 0.902 0.007 . 2 . . . . . 11 LEU QD1 . 50376 1 126 . 1 . 1 12 12 LEU HD13 H 1 0.902 0.007 . 2 . . . . . 11 LEU QD1 . 50376 1 127 . 1 . 1 12 12 LEU HD21 H 1 0.933 0.004 . 2 . . . . . 11 LEU QD2 . 50376 1 128 . 1 . 1 12 12 LEU HD22 H 1 0.933 0.004 . 2 . . . . . 11 LEU QD2 . 50376 1 129 . 1 . 1 12 12 LEU HD23 H 1 0.933 0.004 . 2 . . . . . 11 LEU QD2 . 50376 1 130 . 1 . 1 12 12 LEU CA C 13 57.015 0.000 . 1 . . . . . 11 LEU CA . 50376 1 131 . 1 . 1 12 12 LEU CB C 13 42.225 0.021 . 1 . . . . . 11 LEU CB . 50376 1 132 . 1 . 1 12 12 LEU CG C 13 26.845 0.000 . 1 . . . . . 11 LEU CG . 50376 1 133 . 1 . 1 12 12 LEU CD1 C 13 22.786 0.000 . 1 . . . . . 11 LEU CD1 . 50376 1 134 . 1 . 1 12 12 LEU CD2 C 13 24.437 0.000 . 1 . . . . . 11 LEU CD2 . 50376 1 135 . 1 . 1 12 12 LEU N N 15 120.586 0.000 . 1 . . . . . 11 LEU N . 50376 1 136 . 1 . 1 13 13 THR H H 1 7.999 0.003 . 1 . . . . . 12 THR H . 50376 1 137 . 1 . 1 13 13 THR HA H 1 4.099 0.002 . 1 . . . . . 12 THR HA . 50376 1 138 . 1 . 1 13 13 THR HB H 1 4.175 0.002 . 1 . . . . . 12 THR HB . 50376 1 139 . 1 . 1 13 13 THR HG21 H 1 1.092 0.001 . 1 . . . . . 12 THR QG2 . 50376 1 140 . 1 . 1 13 13 THR HG22 H 1 1.092 0.001 . 1 . . . . . 12 THR QG2 . 50376 1 141 . 1 . 1 13 13 THR HG23 H 1 1.092 0.001 . 1 . . . . . 12 THR QG2 . 50376 1 142 . 1 . 1 13 13 THR CA C 13 64.296 0.000 . 1 . . . . . 12 THR CA . 50376 1 143 . 1 . 1 13 13 THR CB C 13 69.568 0.000 . 1 . . . . . 12 THR CB . 50376 1 144 . 1 . 1 13 13 THR CG2 C 13 20.775 0.000 . 1 . . . . . 12 THR CG2 . 50376 1 145 . 1 . 1 13 13 THR N N 15 112.449 0.000 . 1 . . . . . 12 THR N . 50376 1 146 . 1 . 1 14 14 PHE H H 1 7.957 0.003 . 1 . . . . . 13 PHE H . 50376 1 147 . 1 . 1 14 14 PHE HA H 1 4.612 0.004 . 1 . . . . . 13 PHE HA . 50376 1 148 . 1 . 1 14 14 PHE HB2 H 1 3.245 0.003 . 2 . . . . . 13 PHE HB2 . 50376 1 149 . 1 . 1 14 14 PHE HB3 H 1 3.118 0.003 . 2 . . . . . 13 PHE HB3 . 50376 1 150 . 1 . 1 14 14 PHE HD1 H 1 7.302 0.012 . 1 . . . . . 13 PHE HD1 . 50376 1 151 . 1 . 1 14 14 PHE HD2 H 1 7.302 0.012 . 1 . . . . . 13 PHE HD2 . 50376 1 152 . 1 . 1 14 14 PHE HE1 H 1 7.331 0.003 . 1 . . . . . 13 PHE HE1 . 50376 1 153 . 1 . 1 14 14 PHE HE2 H 1 7.331 0.003 . 1 . . . . . 13 PHE HE2 . 50376 1 154 . 1 . 1 14 14 PHE HZ H 1 7.275 0.000 . 1 . . . . . 13 PHE HZ . 50376 1 155 . 1 . 1 14 14 PHE CA C 13 58.794 0.000 . 1 . . . . . 13 PHE CA . 50376 1 156 . 1 . 1 14 14 PHE CB C 13 39.043 0.001 . 1 . . . . . 13 PHE CB . 50376 1 157 . 1 . 1 14 14 PHE CD1 C 13 131.569 0.020 . 1 . . . . . 13 PHE CD1 . 50376 1 158 . 1 . 1 14 14 PHE CD2 C 13 131.569 0.020 . 1 . . . . . 13 PHE CD2 . 50376 1 159 . 1 . 1 14 14 PHE CE1 C 13 131.246 0.000 . 1 . . . . . 13 PHE CE1 . 50376 1 160 . 1 . 1 14 14 PHE CE2 C 13 131.246 0.000 . 1 . . . . . 13 PHE CE2 . 50376 1 161 . 1 . 1 14 14 PHE CZ C 13 129.687 0.004 . 1 . . . . . 13 PHE CZ . 50376 1 162 . 1 . 1 14 14 PHE N N 15 120.363 0.000 . 1 . . . . . 13 PHE N . 50376 1 163 . 1 . 1 15 15 ARG H H 1 7.877 0.003 . 1 . . . . . 14 ARG H . 50376 1 164 . 1 . 1 15 15 ARG HA H 1 4.284 0.002 . 1 . . . . . 14 ARG HA . 50376 1 165 . 1 . 1 15 15 ARG HB2 H 1 1.950 0.003 . 2 . . . . . 14 ARG HB2 . 50376 1 166 . 1 . 1 15 15 ARG HB3 H 1 1.833 0.001 . 2 . . . . . 14 ARG HB3 . 50376 1 167 . 1 . 1 15 15 ARG HG2 H 1 1.741 0.003 . 2 . . . . . 14 ARG HG2 . 50376 1 168 . 1 . 1 15 15 ARG HG3 H 1 1.675 0.003 . 2 . . . . . 14 ARG HG3 . 50376 1 169 . 1 . 1 15 15 ARG HD2 H 1 3.218 0.001 . 2 . . . . . 14 ARG HD2 . 50376 1 170 . 1 . 1 15 15 ARG HD3 H 1 3.218 0.001 . 2 . . . . . 14 ARG HD3 . 50376 1 171 . 1 . 1 15 15 ARG HE H 1 7.226 0.005 . 1 . . . . . 14 ARG HE . 50376 1 172 . 1 . 1 15 15 ARG CA C 13 56.279 0.000 . 1 . . . . . 14 ARG CA . 50376 1 173 . 1 . 1 15 15 ARG CB C 13 30.721 0.017 . 1 . . . . . 14 ARG CB . 50376 1 174 . 1 . 1 15 15 ARG CG C 13 27.232 0.004 . 1 . . . . . 14 ARG CG . 50376 1 175 . 1 . 1 15 15 ARG CD C 13 43.262 0.000 . 1 . . . . . 14 ARG CD . 50376 1 176 . 1 . 1 15 15 ARG N N 15 120.712 0.000 . 1 . . . . . 14 ARG N . 50376 1 177 . 1 . 1 15 15 ARG NE N 15 84.313 0.000 . 1 . . . . . 14 ARG NE . 50376 1 178 . 1 . 1 16 16 NH2 HN1 H 1 6.902 0.005 . 2 . . . . . 15 NH2 HN1 . 50376 1 179 . 1 . 1 16 16 NH2 HN2 H 1 7.024 0.004 . 2 . . . . . 15 NH2 HN2 . 50376 1 180 . 1 . 1 16 16 NH2 N N 15 105.400 0.000 . 2 . . . . . 15 NH2 N . 50376 1 stop_ save_