################################### # 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 50491 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Orn-hECP30_DPC25HD _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' . . . 50491 1 3 '2D 1H-1H TOCSY' . . . 50491 1 4 '2D 1H-1H NOESY' . . . 50491 1 5 '2D 1H-13C HSQC aliphatic' . . . 50491 1 6 '2D 1H-13C HSQC aromatic' . . . 50491 1 8 '2D 1H-1H TOCSY' . . . 50491 1 9 '2D 1H-1H NOESY' . . . 50491 1 10 '2D 1H-13C HSQC aliphatic' . . . 50491 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50491 1 2 $software_2 . . 50491 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 ORN HA H 1 4.345 0.003 . 1 . . . . . 1 ORN HA . 50491 1 2 . 1 . 1 1 1 ORN HB2 H 1 1.961 0.003 . 2 . . . . . 1 ORN HB2 . 50491 1 3 . 1 . 1 1 1 ORN HB3 H 1 1.961 0.003 . 2 . . . . . 1 ORN HB3 . 50491 1 4 . 1 . 1 1 1 ORN HG2 H 1 1.783 0.001 . 2 . . . . . 1 ORN HG2 . 50491 1 5 . 1 . 1 1 1 ORN HG3 H 1 1.783 0.001 . 2 . . . . . 1 ORN HG3 . 50491 1 6 . 1 . 1 1 1 ORN HD2 H 1 3.030 0.006 . 2 . . . . . 1 ORN HD2 . 50491 1 7 . 1 . 1 1 1 ORN HD3 H 1 3.030 0.006 . 2 . . . . . 1 ORN HD3 . 50491 1 8 . 1 . 1 1 1 ORN CA C 13 53.903 0.092 . 1 . . . . . 1 ORN CA . 50491 1 9 . 1 . 1 1 1 ORN CB C 13 29.652 0.000 . 1 . . . . . 1 ORN CB . 50491 1 10 . 1 . 1 1 1 ORN CG C 13 24.848 0.076 . 1 . . . . . 1 ORN CG . 50491 1 11 . 1 . 1 1 1 ORN CD C 13 41.823 0.000 . 1 . . . . . 1 ORN CD . 50491 1 12 . 1 . 1 2 2 PRO HA H 1 4.484 0.005 . 1 . . . . . 2 PRO HA . 50491 1 13 . 1 . 1 2 2 PRO HB2 H 1 1.754 0.003 . 2 . . . . . 2 PRO HB2 . 50491 1 14 . 1 . 1 2 2 PRO HB3 H 1 2.270 0.003 . 2 . . . . . 2 PRO HB3 . 50491 1 15 . 1 . 1 2 2 PRO HG2 H 1 1.949 0.004 . 2 . . . . . 2 PRO HG2 . 50491 1 16 . 1 . 1 2 2 PRO HG3 H 1 1.949 0.004 . 2 . . . . . 2 PRO HG3 . 50491 1 17 . 1 . 1 2 2 PRO HD2 H 1 3.597 0.002 . 2 . . . . . 2 PRO HD2 . 50491 1 18 . 1 . 1 2 2 PRO HD3 H 1 3.721 0.004 . 2 . . . . . 2 PRO HD3 . 50491 1 19 . 1 . 1 2 2 PRO CA C 13 63.341 0.000 . 1 . . . . . 2 PRO CA . 50491 1 20 . 1 . 1 2 2 PRO CB C 13 32.275 0.009 . 1 . . . . . 2 PRO CB . 50491 1 21 . 1 . 1 2 2 PRO CG C 13 27.318 0.010 . 1 . . . . . 2 PRO CG . 50491 1 22 . 1 . 1 2 2 PRO CD C 13 50.560 0.016 . 1 . . . . . 2 PRO CD . 50491 1 23 . 1 . 1 3 3 PHE H H 1 8.494 0.002 . 1 . . . . . 3 PHE H . 50491 1 24 . 1 . 1 3 3 PHE HA H 1 4.902 0.005 . 1 . . . . . 3 PHE HA . 50491 1 25 . 1 . 1 3 3 PHE HB2 H 1 2.905 0.003 . 2 . . . . . 3 PHE HB2 . 50491 1 26 . 1 . 1 3 3 PHE HB3 H 1 3.143 0.004 . 2 . . . . . 3 PHE HB3 . 50491 1 27 . 1 . 1 3 3 PHE HD1 H 1 7.202 0.001 . 1 . . . . . 3 PHE HD1 . 50491 1 28 . 1 . 1 3 3 PHE HD2 H 1 7.202 0.001 . 1 . . . . . 3 PHE HD2 . 50491 1 29 . 1 . 1 3 3 PHE HE1 H 1 7.200 0.003 . 1 . . . . . 3 PHE HE1 . 50491 1 30 . 1 . 1 3 3 PHE HE2 H 1 7.200 0.003 . 1 . . . . . 3 PHE HE2 . 50491 1 31 . 1 . 1 3 3 PHE HZ H 1 7.109 0.003 . 1 . . . . . 3 PHE HZ . 50491 1 32 . 1 . 1 3 3 PHE CA C 13 57.477 0.000 . 1 . . . . . 3 PHE CA . 50491 1 33 . 1 . 1 3 3 PHE CB C 13 39.636 0.007 . 1 . . . . . 3 PHE CB . 50491 1 34 . 1 . 1 3 3 PHE CD1 C 13 131.961 0.002 . 1 . . . . . 3 PHE CD1 . 50491 1 35 . 1 . 1 3 3 PHE CD2 C 13 131.961 0.002 . 1 . . . . . 3 PHE CD2 . 50491 1 36 . 1 . 1 3 3 PHE CE1 C 13 130.963 0.007 . 1 . . . . . 3 PHE CE1 . 50491 1 37 . 1 . 1 3 3 PHE CE2 C 13 130.963 0.007 . 1 . . . . . 3 PHE CE2 . 50491 1 38 . 1 . 1 3 3 PHE CZ C 13 128.957 0.029 . 1 . . . . . 3 PHE CZ . 50491 1 39 . 1 . 1 4 4 THR H H 1 8.574 0.004 . 1 . . . . . 4 THR H . 50491 1 40 . 1 . 1 4 4 THR HA H 1 4.510 0.005 . 1 . . . . . 4 THR HA . 50491 1 41 . 1 . 1 4 4 THR HB H 1 4.640 0.006 . 1 . . . . . 4 THR HB . 50491 1 42 . 1 . 1 4 4 THR HG21 H 1 1.291 0.003 . 1 . . . . . 4 THR QG2 . 50491 1 43 . 1 . 1 4 4 THR HG22 H 1 1.291 0.003 . 1 . . . . . 4 THR QG2 . 50491 1 44 . 1 . 1 4 4 THR HG23 H 1 1.291 0.003 . 1 . . . . . 4 THR QG2 . 50491 1 45 . 1 . 1 4 4 THR CA C 13 60.780 0.000 . 1 . . . . . 4 THR CA . 50491 1 46 . 1 . 1 4 4 THR CB C 13 71.060 0.000 . 1 . . . . . 4 THR CB . 50491 1 47 . 1 . 1 4 4 THR CG2 C 13 21.732 0.056 . 1 . . . . . 4 THR CG2 . 50491 1 48 . 1 . 1 5 5 ORN H H 1 8.888 0.001 . 1 . . . . . 5 ORN H . 50491 1 49 . 1 . 1 5 5 ORN HA H 1 4.187 0.003 . 1 . . . . . 5 ORN HA . 50491 1 50 . 1 . 1 5 5 ORN HB2 H 1 1.928 0.013 . 2 . . . . . 5 ORN HB2 . 50491 1 51 . 1 . 1 5 5 ORN HB3 H 1 1.928 0.013 . 2 . . . . . 5 ORN HB3 . 50491 1 52 . 1 . 1 5 5 ORN HG2 H 1 1.776 0.004 . 2 . . . . . 5 ORN HG2 . 50491 1 53 . 1 . 1 5 5 ORN HG3 H 1 1.886 0.003 . 2 . . . . . 5 ORN HG3 . 50491 1 54 . 1 . 1 5 5 ORN HD2 H 1 3.058 0.003 . 2 . . . . . 5 ORN HD2 . 50491 1 55 . 1 . 1 5 5 ORN HD3 H 1 3.058 0.003 . 2 . . . . . 5 ORN HD3 . 50491 1 56 . 1 . 1 5 5 ORN CA C 13 59.217 0.056 . 1 . . . . . 5 ORN CA . 50491 1 57 . 1 . 1 5 5 ORN CB C 13 29.799 0.000 . 1 . . . . . 5 ORN CB . 50491 1 58 . 1 . 1 5 5 ORN CG C 13 26.488 0.072 . 1 . . . . . 5 ORN CG . 50491 1 59 . 1 . 1 5 5 ORN CD C 13 41.997 0.000 . 1 . . . . . 5 ORN CD . 50491 1 60 . 1 . 1 6 6 ALA H H 1 8.445 0.001 . 1 . . . . . 6 ALA H . 50491 1 61 . 1 . 1 6 6 ALA HA H 1 4.245 0.004 . 1 . . . . . 6 ALA HA . 50491 1 62 . 1 . 1 6 6 ALA HB1 H 1 1.428 0.002 . 1 . . . . . 6 ALA HB# . 50491 1 63 . 1 . 1 6 6 ALA HB2 H 1 1.428 0.002 . 1 . . . . . 6 ALA HB# . 50491 1 64 . 1 . 1 6 6 ALA HB3 H 1 1.428 0.002 . 1 . . . . . 6 ALA HB# . 50491 1 65 . 1 . 1 6 6 ALA CA C 13 54.706 0.050 . 1 . . . . . 6 ALA CA . 50491 1 66 . 1 . 1 6 6 ALA CB C 13 18.488 0.019 . 1 . . . . . 6 ALA CB . 50491 1 67 . 1 . 1 7 7 GLN H H 1 7.981 0.002 . 1 . . . . . 7 GLN H . 50491 1 68 . 1 . 1 7 7 GLN HA H 1 4.072 0.003 . 1 . . . . . 7 GLN HA . 50491 1 69 . 1 . 1 7 7 GLN HB2 H 1 1.777 0.008 . 2 . . . . . 7 GLN HB2 . 50491 1 70 . 1 . 1 7 7 GLN HB3 H 1 2.367 0.005 . 2 . . . . . 7 GLN HB3 . 50491 1 71 . 1 . 1 7 7 GLN HG2 H 1 2.367 0.005 . 2 . . . . . 7 GLN HG2 . 50491 1 72 . 1 . 1 7 7 GLN HG3 H 1 2.490 0.002 . 2 . . . . . 7 GLN HG3 . 50491 1 73 . 1 . 1 7 7 GLN HE21 H 1 6.930 0.000 . 2 . . . . . 7 GLN HE21 . 50491 1 74 . 1 . 1 7 7 GLN HE22 H 1 7.621 0.001 . 2 . . . . . 7 GLN HE22 . 50491 1 75 . 1 . 1 7 7 GLN CA C 13 58.642 0.059 . 1 . . . . . 7 GLN CA . 50491 1 76 . 1 . 1 7 7 GLN CB C 13 28.532 0.009 . 1 . . . . . 7 GLN CB . 50491 1 77 . 1 . 1 7 7 GLN CG C 13 34.741 0.018 . 1 . . . . . 7 GLN CG . 50491 1 78 . 1 . 1 8 8 TRP H H 1 8.363 0.005 . 1 . . . . . 8 TRP H . 50491 1 79 . 1 . 1 8 8 TRP HA H 1 4.463 0.005 . 1 . . . . . 8 TRP HA . 50491 1 80 . 1 . 1 8 8 TRP HB2 H 1 3.266 0.005 . 2 . . . . . 8 TRP HB2 . 50491 1 81 . 1 . 1 8 8 TRP HB3 H 1 3.321 0.005 . 2 . . . . . 8 TRP HB3 . 50491 1 82 . 1 . 1 8 8 TRP HD1 H 1 7.114 0.004 . 1 . . . . . 8 TRP HD1 . 50491 1 83 . 1 . 1 8 8 TRP HE1 H 1 10.518 0.001 . 1 . . . . . 8 TRP HE1 . 50491 1 84 . 1 . 1 8 8 TRP HE3 H 1 7.344 0.002 . 1 . . . . . 8 TRP HE3 . 50491 1 85 . 1 . 1 8 8 TRP HZ2 H 1 7.519 0.003 . 1 . . . . . 8 TRP HZ2 . 50491 1 86 . 1 . 1 8 8 TRP HZ3 H 1 6.893 0.002 . 1 . . . . . 8 TRP HZ3 . 50491 1 87 . 1 . 1 8 8 TRP HH2 H 1 7.065 0.002 . 1 . . . . . 8 TRP HH2 . 50491 1 88 . 1 . 1 8 8 TRP CA C 13 59.520 0.000 . 1 . . . . . 8 TRP CA . 50491 1 89 . 1 . 1 8 8 TRP CD1 C 13 127.303 0.071 . 1 . . . . . 8 TRP CD1 . 50491 1 90 . 1 . 1 8 8 TRP CE3 C 13 120.891 0.003 . 1 . . . . . 8 TRP CE3 . 50491 1 91 . 1 . 1 8 8 TRP CZ2 C 13 114.881 0.035 . 1 . . . . . 8 TRP CZ2 . 50491 1 92 . 1 . 1 8 8 TRP CZ3 C 13 121.275 0.024 . 1 . . . . . 8 TRP CZ3 . 50491 1 93 . 1 . 1 8 8 TRP CH2 C 13 124.010 0.000 . 1 . . . . . 8 TRP CH2 . 50491 1 94 . 1 . 1 9 9 PHE H H 1 8.263 0.002 . 1 . . . . . 9 PHE H . 50491 1 95 . 1 . 1 9 9 PHE HA H 1 4.267 0.006 . 1 . . . . . 9 PHE HA . 50491 1 96 . 1 . 1 9 9 PHE HB2 H 1 3.187 0.003 . 2 . . . . . 9 PHE HB2 . 50491 1 97 . 1 . 1 9 9 PHE HB3 H 1 3.187 0.003 . 2 . . . . . 9 PHE HB3 . 50491 1 98 . 1 . 1 9 9 PHE HD1 H 1 7.255 0.002 . 1 . . . . . 9 PHE HD1 . 50491 1 99 . 1 . 1 9 9 PHE HD2 H 1 7.255 0.002 . 1 . . . . . 9 PHE HD2 . 50491 1 100 . 1 . 1 9 9 PHE HE1 H 1 7.256 0.003 . 1 . . . . . 9 PHE HE1 . 50491 1 101 . 1 . 1 9 9 PHE HE2 H 1 7.256 0.003 . 1 . . . . . 9 PHE HE2 . 50491 1 102 . 1 . 1 9 9 PHE HZ H 1 7.139 0.004 . 1 . . . . . 9 PHE HZ . 50491 1 103 . 1 . 1 9 9 PHE CA C 13 60.565 0.000 . 1 . . . . . 9 PHE CA . 50491 1 104 . 1 . 1 9 9 PHE CB C 13 38.910 0.000 . 1 . . . . . 9 PHE CB . 50491 1 105 . 1 . 1 9 9 PHE CD1 C 13 131.997 0.012 . 1 . . . . . 9 PHE CD1 . 50491 1 106 . 1 . 1 9 9 PHE CD2 C 13 131.997 0.012 . 1 . . . . . 9 PHE CD2 . 50491 1 107 . 1 . 1 9 9 PHE CE1 C 13 131.395 0.013 . 1 . . . . . 9 PHE CE1 . 50491 1 108 . 1 . 1 9 9 PHE CE2 C 13 131.395 0.013 . 1 . . . . . 9 PHE CE2 . 50491 1 109 . 1 . 1 9 9 PHE CZ C 13 129.742 0.009 . 1 . . . . . 9 PHE CZ . 50491 1 110 . 1 . 1 10 10 ALA H H 1 7.889 0.001 . 1 . . . . . 10 ALA H . 50491 1 111 . 1 . 1 10 10 ALA HA H 1 4.141 0.005 . 1 . . . . . 10 ALA HA . 50491 1 112 . 1 . 1 10 10 ALA HB1 H 1 1.528 0.003 . 1 . . . . . 10 ALA HB# . 50491 1 113 . 1 . 1 10 10 ALA HB2 H 1 1.528 0.003 . 1 . . . . . 10 ALA HB# . 50491 1 114 . 1 . 1 10 10 ALA HB3 H 1 1.528 0.003 . 1 . . . . . 10 ALA HB# . 50491 1 115 . 1 . 1 10 10 ALA CA C 13 54.782 0.006 . 1 . . . . . 10 ALA CA . 50491 1 116 . 1 . 1 10 10 ALA CB C 13 18.447 0.022 . 1 . . . . . 10 ALA CB . 50491 1 117 . 1 . 1 11 11 ILE H H 1 7.898 0.003 . 1 . . . . . 11 ILE H . 50491 1 118 . 1 . 1 11 11 ILE HA H 1 3.722 0.004 . 1 . . . . . 11 ILE HA . 50491 1 119 . 1 . 1 11 11 ILE HB H 1 1.815 0.003 . 1 . . . . . 11 ILE HB . 50491 1 120 . 1 . 1 11 11 ILE HG12 H 1 1.025 0.005 . 2 . . . . . 11 ILE HG12 . 50491 1 121 . 1 . 1 11 11 ILE HG13 H 1 1.559 0.005 . 2 . . . . . 11 ILE HG13 . 50491 1 122 . 1 . 1 11 11 ILE HG21 H 1 0.771 0.001 . 1 . . . . . 11 ILE QG2 . 50491 1 123 . 1 . 1 11 11 ILE HG22 H 1 0.771 0.001 . 1 . . . . . 11 ILE QG2 . 50491 1 124 . 1 . 1 11 11 ILE HG23 H 1 0.771 0.001 . 1 . . . . . 11 ILE QG2 . 50491 1 125 . 1 . 1 11 11 ILE HD11 H 1 0.532 0.002 . 1 . . . . . 11 ILE QD1 . 50491 1 126 . 1 . 1 11 11 ILE HD12 H 1 0.532 0.002 . 1 . . . . . 11 ILE QD1 . 50491 1 127 . 1 . 1 11 11 ILE HD13 H 1 0.532 0.002 . 1 . . . . . 11 ILE QD1 . 50491 1 128 . 1 . 1 11 11 ILE CA C 13 63.822 0.029 . 1 . . . . . 11 ILE CA . 50491 1 129 . 1 . 1 11 11 ILE CB C 13 38.091 0.021 . 1 . . . . . 11 ILE CB . 50491 1 130 . 1 . 1 11 11 ILE CG1 C 13 29.103 0.016 . 1 . . . . . 11 ILE CG1 . 50491 1 131 . 1 . 1 11 11 ILE CG2 C 13 17.739 0.004 . 1 . . . . . 11 ILE CG2 . 50491 1 132 . 1 . 1 11 11 ILE CD1 C 13 13.540 0.003 . 1 . . . . . 11 ILE CD1 . 50491 1 133 . 1 . 1 12 12 GLN H H 1 7.765 0.004 . 1 . . . . . 12 GLN H . 50491 1 134 . 1 . 1 12 12 GLN HA H 1 3.824 0.004 . 1 . . . . . 12 GLN HA . 50491 1 135 . 1 . 1 12 12 GLN HB2 H 1 1.708 0.004 . 2 . . . . . 12 GLN HB2 . 50491 1 136 . 1 . 1 12 12 GLN HB3 H 1 1.762 0.002 . 2 . . . . . 12 GLN HB3 . 50491 1 137 . 1 . 1 12 12 GLN HG2 H 1 1.929 0.002 . 2 . . . . . 12 GLN HG2 . 50491 1 138 . 1 . 1 12 12 GLN HG3 H 1 1.984 0.007 . 2 . . . . . 12 GLN HG3 . 50491 1 139 . 1 . 1 12 12 GLN HE21 H 1 6.643 0.004 . 2 . . . . . 12 GLN HE21 . 50491 1 140 . 1 . 1 12 12 GLN HE22 H 1 6.895 0.001 . 2 . . . . . 12 GLN HE22 . 50491 1 141 . 1 . 1 12 12 GLN CA C 13 57.400 0.042 . 1 . . . . . 12 GLN CA . 50491 1 142 . 1 . 1 12 12 GLN CB C 13 29.202 0.003 . 1 . . . . . 12 GLN CB . 50491 1 143 . 1 . 1 12 12 GLN CG C 13 34.224 0.001 . 1 . . . . . 12 GLN CG . 50491 1 144 . 1 . 1 13 13 HIS H H 1 7.689 0.002 . 1 . . . . . 13 HIS H . 50491 1 145 . 1 . 1 13 13 HIS HA H 1 4.514 0.005 . 1 . . . . . 13 HIS HA . 50491 1 146 . 1 . 1 13 13 HIS HB2 H 1 2.874 0.004 . 2 . . . . . 13 HIS HB2 . 50491 1 147 . 1 . 1 13 13 HIS HB3 H 1 3.399 0.005 . 2 . . . . . 13 HIS HB3 . 50491 1 148 . 1 . 1 13 13 HIS HD2 H 1 7.115 0.005 . 1 . . . . . 13 HIS HD2 . 50491 1 149 . 1 . 1 13 13 HIS HE1 H 1 8.078 0.005 . 1 . . . . . 13 HIS HE1 . 50491 1 150 . 1 . 1 13 13 HIS CA C 13 56.027 0.000 . 1 . . . . . 13 HIS CA . 50491 1 151 . 1 . 1 13 13 HIS CB C 13 28.603 0.084 . 1 . . . . . 13 HIS CB . 50491 1 152 . 1 . 1 13 13 HIS CD2 C 13 119.735 0.087 . 1 . . . . . 13 HIS CD2 . 50491 1 153 . 1 . 1 13 13 HIS CE1 C 13 135.921 0.141 . 1 . . . . . 13 HIS CE1 . 50491 1 154 . 1 . 1 14 14 ILE H H 1 7.521 0.001 . 1 . . . . . 14 ILE H . 50491 1 155 . 1 . 1 14 14 ILE HA H 1 4.137 0.002 . 1 . . . . . 14 ILE HA . 50491 1 156 . 1 . 1 14 14 ILE HB H 1 1.906 0.004 . 1 . . . . . 14 ILE HB . 50491 1 157 . 1 . 1 14 14 ILE HG12 H 1 1.217 0.005 . 2 . . . . . 14 ILE HG12 . 50491 1 158 . 1 . 1 14 14 ILE HG13 H 1 1.607 0.004 . 2 . . . . . 14 ILE HG13 . 50491 1 159 . 1 . 1 14 14 ILE HG21 H 1 0.877 0.004 . 1 . . . . . 14 ILE QG2 . 50491 1 160 . 1 . 1 14 14 ILE HG22 H 1 0.877 0.004 . 1 . . . . . 14 ILE QG2 . 50491 1 161 . 1 . 1 14 14 ILE HG23 H 1 0.877 0.004 . 1 . . . . . 14 ILE QG2 . 50491 1 162 . 1 . 1 14 14 ILE HD11 H 1 0.844 0.005 . 1 . . . . . 14 ILE QD1 . 50491 1 163 . 1 . 1 14 14 ILE HD12 H 1 0.844 0.005 . 1 . . . . . 14 ILE QD1 . 50491 1 164 . 1 . 1 14 14 ILE HD13 H 1 0.844 0.005 . 1 . . . . . 14 ILE QD1 . 50491 1 165 . 1 . 1 14 14 ILE CA C 13 61.447 0.057 . 1 . . . . . 14 ILE CA . 50491 1 166 . 1 . 1 14 14 ILE CB C 13 39.096 0.022 . 1 . . . . . 14 ILE CB . 50491 1 167 . 1 . 1 14 14 ILE CG1 C 13 27.581 0.009 . 1 . . . . . 14 ILE CG1 . 50491 1 168 . 1 . 1 14 14 ILE CG2 C 13 17.735 0.001 . 1 . . . . . 14 ILE CG2 . 50491 1 169 . 1 . 1 14 14 ILE CD1 C 13 13.977 0.003 . 1 . . . . . 14 ILE CD1 . 50491 1 170 . 1 . 1 15 15 SER H H 1 8.374 0.002 . 1 . . . . . 15 SER H . 50491 1 171 . 1 . 1 15 15 SER HA H 1 4.967 0.005 . 1 . . . . . 15 SER HA . 50491 1 172 . 1 . 1 15 15 SER HB2 H 1 3.929 0.006 . 2 . . . . . 15 SER HB2 . 50491 1 173 . 1 . 1 15 15 SER HB3 H 1 3.982 0.006 . 2 . . . . . 15 SER HB3 . 50491 1 174 . 1 . 1 15 15 SER CA C 13 54.553 0.000 . 1 . . . . . 15 SER CA . 50491 1 175 . 1 . 1 15 15 SER CB C 13 63.418 0.034 . 1 . . . . . 15 SER CB . 50491 1 176 . 1 . 1 16 16 PRO HA H 1 4.169 0.004 . 1 . . . . . 16 PRO HA . 50491 1 177 . 1 . 1 16 16 PRO HB2 H 1 2.010 0.003 . 2 . . . . . 16 PRO HB2 . 50491 1 178 . 1 . 1 16 16 PRO HB3 H 1 2.174 0.009 . 2 . . . . . 16 PRO HB3 . 50491 1 179 . 1 . 1 16 16 PRO HG2 H 1 1.834 0.004 . 2 . . . . . 16 PRO HG2 . 50491 1 180 . 1 . 1 16 16 PRO HG3 H 1 2.150 0.005 . 2 . . . . . 16 PRO HG3 . 50491 1 181 . 1 . 1 16 16 PRO HD2 H 1 3.950 0.004 . 2 . . . . . 16 PRO HD2 . 50491 1 182 . 1 . 1 16 16 PRO HD3 H 1 4.128 0.004 . 2 . . . . . 16 PRO HD3 . 50491 1 183 . 1 . 1 16 16 PRO CA C 13 65.323 0.000 . 1 . . . . . 16 PRO CA . 50491 1 184 . 1 . 1 16 16 PRO CB C 13 32.437 0.027 . 1 . . . . . 16 PRO CB . 50491 1 185 . 1 . 1 16 16 PRO CG C 13 27.935 0.020 . 1 . . . . . 16 PRO CG . 50491 1 186 . 1 . 1 17 17 ORN H H 1 8.692 0.002 . 1 . . . . . 17 ORN H . 50491 1 187 . 1 . 1 17 17 ORN HA H 1 3.961 0.002 . 1 . . . . . 17 ORN HA . 50491 1 188 . 1 . 1 17 17 ORN HB2 H 1 1.916 0.001 . 2 . . . . . 17 ORN HB2 . 50491 1 189 . 1 . 1 17 17 ORN HB3 H 1 1.916 0.001 . 2 . . . . . 17 ORN HB3 . 50491 1 190 . 1 . 1 17 17 ORN HG2 H 1 1.700 0.003 . 2 . . . . . 17 ORN HG2 . 50491 1 191 . 1 . 1 17 17 ORN HG3 H 1 1.784 0.003 . 2 . . . . . 17 ORN HG3 . 50491 1 192 . 1 . 1 17 17 ORN HD2 H 1 3.019 0.003 . 2 . . . . . 17 ORN HD2 . 50491 1 193 . 1 . 1 17 17 ORN HD3 H 1 3.019 0.003 . 2 . . . . . 17 ORN HD3 . 50491 1 194 . 1 . 1 17 17 ORN HE1 H 1 7.900 0.000 . 2 . . . . . 17 ORN HE2 . 50491 1 195 . 1 . 1 17 17 ORN HE2 H 1 7.900 0.000 . 2 . . . . . 17 ORN HE3 . 50491 1 196 . 1 . 1 17 17 ORN CA C 13 59.764 0.037 . 1 . . . . . 17 ORN CA . 50491 1 197 . 1 . 1 17 17 ORN CB C 13 30.134 0.000 . 1 . . . . . 17 ORN CB . 50491 1 198 . 1 . 1 17 17 ORN CG C 13 26.514 0.085 . 1 . . . . . 17 ORN CG . 50491 1 199 . 1 . 1 17 17 ORN CD C 13 41.823 0.000 . 1 . . . . . 17 ORN CD . 50491 1 200 . 1 . 1 18 18 THR H H 1 7.686 0.003 . 1 . . . . . 18 THR H . 50491 1 201 . 1 . 1 18 18 THR HA H 1 4.028 0.002 . 1 . . . . . 18 THR HA . 50491 1 202 . 1 . 1 18 18 THR HB H 1 4.324 0.004 . 1 . . . . . 18 THR HB . 50491 1 203 . 1 . 1 18 18 THR HG21 H 1 1.275 0.004 . 1 . . . . . 18 THR QG2 . 50491 1 204 . 1 . 1 18 18 THR HG22 H 1 1.275 0.004 . 1 . . . . . 18 THR QG2 . 50491 1 205 . 1 . 1 18 18 THR HG23 H 1 1.275 0.004 . 1 . . . . . 18 THR QG2 . 50491 1 206 . 1 . 1 18 18 THR CA C 13 65.698 0.000 . 1 . . . . . 18 THR CA . 50491 1 207 . 1 . 1 18 18 THR CB C 13 68.779 0.057 . 1 . . . . . 18 THR CB . 50491 1 208 . 1 . 1 18 18 THR CG2 C 13 22.105 0.049 . 1 . . . . . 18 THR CG2 . 50491 1 209 . 1 . 1 19 19 ILE H H 1 7.785 0.002 . 1 . . . . . 19 ILE H . 50491 1 210 . 1 . 1 19 19 ILE HA H 1 3.797 0.004 . 1 . . . . . 19 ILE HA . 50491 1 211 . 1 . 1 19 19 ILE HB H 1 1.911 0.004 . 1 . . . . . 19 ILE HB . 50491 1 212 . 1 . 1 19 19 ILE HG12 H 1 1.233 0.005 . 2 . . . . . 19 ILE HG12 . 50491 1 213 . 1 . 1 19 19 ILE HG13 H 1 1.669 0.004 . 2 . . . . . 19 ILE HG13 . 50491 1 214 . 1 . 1 19 19 ILE HG21 H 1 0.928 0.002 . 1 . . . . . 19 ILE QG2 . 50491 1 215 . 1 . 1 19 19 ILE HG22 H 1 0.928 0.002 . 1 . . . . . 19 ILE QG2 . 50491 1 216 . 1 . 1 19 19 ILE HG23 H 1 0.928 0.002 . 1 . . . . . 19 ILE QG2 . 50491 1 217 . 1 . 1 19 19 ILE HD11 H 1 0.853 0.003 . 1 . . . . . 19 ILE QD1 . 50491 1 218 . 1 . 1 19 19 ILE HD12 H 1 0.853 0.003 . 1 . . . . . 19 ILE QD1 . 50491 1 219 . 1 . 1 19 19 ILE HD13 H 1 0.853 0.003 . 1 . . . . . 19 ILE QD1 . 50491 1 220 . 1 . 1 19 19 ILE CA C 13 64.175 0.042 . 1 . . . . . 19 ILE CA . 50491 1 221 . 1 . 1 19 19 ILE CB C 13 37.986 0.023 . 1 . . . . . 19 ILE CB . 50491 1 222 . 1 . 1 19 19 ILE CG1 C 13 28.464 0.010 . 1 . . . . . 19 ILE CG1 . 50491 1 223 . 1 . 1 19 19 ILE CG2 C 13 17.715 0.000 . 1 . . . . . 19 ILE CG2 . 50491 1 224 . 1 . 1 19 19 ILE CD1 C 13 13.399 0.005 . 1 . . . . . 19 ILE CD1 . 50491 1 225 . 1 . 1 20 20 ALA H H 1 8.266 0.002 . 1 . . . . . 20 ALA H . 50491 1 226 . 1 . 1 20 20 ALA HA H 1 4.058 0.005 . 1 . . . . . 20 ALA HA . 50491 1 227 . 1 . 1 20 20 ALA HB1 H 1 1.446 0.002 . 1 . . . . . 20 ALA HB# . 50491 1 228 . 1 . 1 20 20 ALA HB2 H 1 1.446 0.002 . 1 . . . . . 20 ALA HB# . 50491 1 229 . 1 . 1 20 20 ALA HB3 H 1 1.446 0.002 . 1 . . . . . 20 ALA HB# . 50491 1 230 . 1 . 1 20 20 ALA CA C 13 55.004 0.072 . 1 . . . . . 20 ALA CA . 50491 1 231 . 1 . 1 20 20 ALA CB C 13 18.728 0.015 . 1 . . . . . 20 ALA CB . 50491 1 232 . 1 . 1 21 21 MET H H 1 8.150 0.002 . 1 . . . . . 21 MET H . 50491 1 233 . 1 . 1 21 21 MET HA H 1 4.310 0.004 . 1 . . . . . 21 MET HA . 50491 1 234 . 1 . 1 21 21 MET HB2 H 1 2.139 0.006 . 2 . . . . . 21 MET HB2 . 50491 1 235 . 1 . 1 21 21 MET HB3 H 1 2.180 0.005 . 2 . . . . . 21 MET HB3 . 50491 1 236 . 1 . 1 21 21 MET HG2 H 1 2.668 0.003 . 2 . . . . . 21 MET HG2 . 50491 1 237 . 1 . 1 21 21 MET HG3 H 1 2.773 0.003 . 2 . . . . . 21 MET HG3 . 50491 1 238 . 1 . 1 21 21 MET HE1 H 1 2.086 0.002 . 1 . . . . . 21 MET HE# . 50491 1 239 . 1 . 1 21 21 MET HE2 H 1 2.086 0.002 . 1 . . . . . 21 MET HE# . 50491 1 240 . 1 . 1 21 21 MET HE3 H 1 2.086 0.002 . 1 . . . . . 21 MET HE# . 50491 1 241 . 1 . 1 21 21 MET CA C 13 57.475 0.000 . 1 . . . . . 21 MET CA . 50491 1 242 . 1 . 1 21 21 MET CB C 13 31.785 0.003 . 1 . . . . . 21 MET CB . 50491 1 243 . 1 . 1 21 21 MET CG C 13 32.263 0.005 . 1 . . . . . 21 MET CG . 50491 1 244 . 1 . 1 21 21 MET CE C 13 16.767 0.020 . 1 . . . . . 21 MET CE . 50491 1 245 . 1 . 1 22 22 ORN H H 1 8.012 0.003 . 1 . . . . . 22 ORN H . 50491 1 246 . 1 . 1 22 22 ORN HA H 1 4.128 0.002 . 1 . . . . . 22 ORN HA . 50491 1 247 . 1 . 1 22 22 ORN HB2 H 1 1.981 0.002 . 2 . . . . . 22 ORN HB2 . 50491 1 248 . 1 . 1 22 22 ORN HB3 H 1 1.981 0.002 . 2 . . . . . 22 ORN HB3 . 50491 1 249 . 1 . 1 22 22 ORN HG2 H 1 1.785 0.002 . 2 . . . . . 22 ORN HG2 . 50491 1 250 . 1 . 1 22 22 ORN HG3 H 1 1.882 0.004 . 2 . . . . . 22 ORN HG3 . 50491 1 251 . 1 . 1 22 22 ORN HD2 H 1 2.990 0.003 . 2 . . . . . 22 ORN HD2 . 50491 1 252 . 1 . 1 22 22 ORN HD3 H 1 2.990 0.003 . 2 . . . . . 22 ORN HD3 . 50491 1 253 . 1 . 1 22 22 ORN HE1 H 1 7.795 0.000 . 2 . . . . . 22 ORN HE2 . 50491 1 254 . 1 . 1 22 22 ORN HE2 H 1 7.795 0.000 . 2 . . . . . 22 ORN HE3 . 50491 1 255 . 1 . 1 22 22 ORN CA C 13 58.701 0.059 . 1 . . . . . 22 ORN CA . 50491 1 256 . 1 . 1 22 22 ORN CB C 13 29.895 0.000 . 1 . . . . . 22 ORN CB . 50491 1 257 . 1 . 1 22 22 ORN CD C 13 41.686 0.000 . 1 . . . . . 22 ORN CD . 50491 1 258 . 1 . 1 23 23 ALA H H 1 8.026 0.003 . 1 . . . . . 23 ALA H . 50491 1 259 . 1 . 1 23 23 ALA HA H 1 4.195 0.003 . 1 . . . . . 23 ALA HA . 50491 1 260 . 1 . 1 23 23 ALA HB1 H 1 1.542 0.004 . 1 . . . . . 23 ALA HB# . 50491 1 261 . 1 . 1 23 23 ALA HB2 H 1 1.542 0.004 . 1 . . . . . 23 ALA HB# . 50491 1 262 . 1 . 1 23 23 ALA HB3 H 1 1.542 0.004 . 1 . . . . . 23 ALA HB# . 50491 1 263 . 1 . 1 23 23 ALA CA C 13 55.035 0.067 . 1 . . . . . 23 ALA CA . 50491 1 264 . 1 . 1 23 23 ALA CB C 13 18.728 0.043 . 1 . . . . . 23 ALA CB . 50491 1 265 . 1 . 1 24 24 ILE H H 1 8.151 0.001 . 1 . . . . . 24 ILE H . 50491 1 266 . 1 . 1 24 24 ILE HA H 1 3.894 0.002 . 1 . . . . . 24 ILE HA . 50491 1 267 . 1 . 1 24 24 ILE HB H 1 2.016 0.005 . 1 . . . . . 24 ILE HB . 50491 1 268 . 1 . 1 24 24 ILE HG12 H 1 1.200 0.003 . 2 . . . . . 24 ILE HG12 . 50491 1 269 . 1 . 1 24 24 ILE HG13 H 1 1.791 0.003 . 2 . . . . . 24 ILE HG13 . 50491 1 270 . 1 . 1 24 24 ILE HG21 H 1 0.988 0.002 . 1 . . . . . 24 ILE QG2 . 50491 1 271 . 1 . 1 24 24 ILE HG22 H 1 0.988 0.002 . 1 . . . . . 24 ILE QG2 . 50491 1 272 . 1 . 1 24 24 ILE HG23 H 1 0.988 0.002 . 1 . . . . . 24 ILE QG2 . 50491 1 273 . 1 . 1 24 24 ILE HD11 H 1 0.888 0.003 . 1 . . . . . 24 ILE QD1 . 50491 1 274 . 1 . 1 24 24 ILE HD12 H 1 0.888 0.003 . 1 . . . . . 24 ILE QD1 . 50491 1 275 . 1 . 1 24 24 ILE HD13 H 1 0.888 0.003 . 1 . . . . . 24 ILE QD1 . 50491 1 276 . 1 . 1 24 24 ILE CA C 13 64.419 0.078 . 1 . . . . . 24 ILE CA . 50491 1 277 . 1 . 1 24 24 ILE CB C 13 38.463 0.028 . 1 . . . . . 24 ILE CB . 50491 1 278 . 1 . 1 24 24 ILE CG1 C 13 29.368 0.002 . 1 . . . . . 24 ILE CG1 . 50491 1 279 . 1 . 1 24 24 ILE CG2 C 13 17.691 0.006 . 1 . . . . . 24 ILE CG2 . 50491 1 280 . 1 . 1 24 24 ILE CD1 C 13 13.899 0.001 . 1 . . . . . 24 ILE CD1 . 50491 1 281 . 1 . 1 25 25 ASN H H 1 8.094 0.001 . 1 . . . . . 25 ASN H . 50491 1 282 . 1 . 1 25 25 ASN HA H 1 4.603 0.006 . 1 . . . . . 25 ASN HA . 50491 1 283 . 1 . 1 25 25 ASN HB2 H 1 2.811 0.005 . 2 . . . . . 25 ASN HB2 . 50491 1 284 . 1 . 1 25 25 ASN HB3 H 1 2.865 0.003 . 2 . . . . . 25 ASN HB3 . 50491 1 285 . 1 . 1 25 25 ASN HD21 H 1 6.891 0.002 . 2 . . . . . 25 ASN HD21 . 50491 1 286 . 1 . 1 25 25 ASN HD22 H 1 7.560 0.003 . 2 . . . . . 25 ASN HD22 . 50491 1 287 . 1 . 1 25 25 ASN CA C 13 55.254 0.000 . 1 . . . . . 25 ASN CA . 50491 1 288 . 1 . 1 25 25 ASN CB C 13 38.925 0.003 . 1 . . . . . 25 ASN CB . 50491 1 289 . 1 . 1 26 26 ASN H H 1 7.992 0.002 . 1 . . . . . 26 ASN H . 50491 1 290 . 1 . 1 26 26 ASN HA H 1 4.666 0.002 . 1 . . . . . 26 ASN HA . 50491 1 291 . 1 . 1 26 26 ASN HB2 H 1 2.733 0.006 . 2 . . . . . 26 ASN HB2 . 50491 1 292 . 1 . 1 26 26 ASN HB3 H 1 2.733 0.006 . 2 . . . . . 26 ASN HB3 . 50491 1 293 . 1 . 1 26 26 ASN HD21 H 1 7.025 0.005 . 2 . . . . . 26 ASN HD21 . 50491 1 294 . 1 . 1 26 26 ASN HD22 H 1 7.543 0.002 . 2 . . . . . 26 ASN HD22 . 50491 1 295 . 1 . 1 26 26 ASN CA C 13 54.160 0.000 . 1 . . . . . 26 ASN CA . 50491 1 296 . 1 . 1 26 26 ASN CB C 13 39.553 0.000 . 1 . . . . . 26 ASN CB . 50491 1 297 . 1 . 1 27 27 TYR H H 1 7.813 0.002 . 1 . . . . . 27 TYR H . 50491 1 298 . 1 . 1 27 27 TYR HA H 1 4.358 0.004 . 1 . . . . . 27 TYR HA . 50491 1 299 . 1 . 1 27 27 TYR HB2 H 1 2.869 0.003 . 2 . . . . . 27 TYR HB2 . 50491 1 300 . 1 . 1 27 27 TYR HB3 H 1 2.869 0.003 . 2 . . . . . 27 TYR HB3 . 50491 1 301 . 1 . 1 27 27 TYR HD1 H 1 6.885 0.002 . 1 . . . . . 27 TYR HD1 . 50491 1 302 . 1 . 1 27 27 TYR HD2 H 1 6.885 0.002 . 1 . . . . . 27 TYR HD2 . 50491 1 303 . 1 . 1 27 27 TYR HE1 H 1 6.685 0.002 . 1 . . . . . 27 TYR HE1 . 50491 1 304 . 1 . 1 27 27 TYR HE2 H 1 6.685 0.002 . 1 . . . . . 27 TYR HE2 . 50491 1 305 . 1 . 1 27 27 TYR CA C 13 59.033 0.000 . 1 . . . . . 27 TYR CA . 50491 1 306 . 1 . 1 27 27 TYR CB C 13 39.069 0.000 . 1 . . . . . 27 TYR CB . 50491 1 307 . 1 . 1 27 27 TYR CD1 C 13 133.005 0.001 . 1 . . . . . 27 TYR CD1 . 50491 1 308 . 1 . 1 27 27 TYR CD2 C 13 133.005 0.001 . 1 . . . . . 27 TYR CD2 . 50491 1 309 . 1 . 1 27 27 TYR CE1 C 13 117.893 0.041 . 1 . . . . . 27 TYR CE1 . 50491 1 310 . 1 . 1 27 27 TYR CE2 C 13 117.893 0.041 . 1 . . . . . 27 TYR CE2 . 50491 1 311 . 1 . 1 28 28 ORN H H 1 7.774 0.003 . 1 . . . . . 28 ORN H . 50491 1 312 . 1 . 1 28 28 ORN HA H 1 4.327 0.003 . 1 . . . . . 28 ORN HA . 50491 1 313 . 1 . 1 28 28 ORN HB2 H 1 1.674 0.005 . 2 . . . . . 28 ORN HB2 . 50491 1 314 . 1 . 1 28 28 ORN HB3 H 1 1.762 0.003 . 2 . . . . . 28 ORN HB3 . 50491 1 315 . 1 . 1 28 28 ORN HG2 H 1 1.622 0.001 . 2 . . . . . 28 ORN HG2 . 50491 1 316 . 1 . 1 28 28 ORN HG3 H 1 1.680 0.000 . 2 . . . . . 28 ORN HG3 . 50491 1 317 . 1 . 1 28 28 ORN HD2 H 1 2.964 0.006 . 2 . . . . . 28 ORN HD2 . 50491 1 318 . 1 . 1 28 28 ORN HD3 H 1 2.964 0.006 . 2 . . . . . 28 ORN HD3 . 50491 1 319 . 1 . 1 28 28 ORN HE1 H 1 7.595 0.004 . 2 . . . . . 28 ORN HE2 . 50491 1 320 . 1 . 1 28 28 ORN HE2 H 1 7.595 0.004 . 2 . . . . . 28 ORN HE3 . 50491 1 321 . 1 . 1 28 28 ORN CA C 13 55.174 0.092 . 1 . . . . . 28 ORN CA . 50491 1 322 . 1 . 1 28 28 ORN CB C 13 29.903 0.029 . 1 . . . . . 28 ORN CB . 50491 1 323 . 1 . 1 28 28 ORN CD C 13 41.811 0.000 . 1 . . . . . 28 ORN CD . 50491 1 324 . 1 . 1 29 29 TRP H H 1 8.143 0.001 . 1 . . . . . 29 TRP H . 50491 1 325 . 1 . 1 29 29 TRP HA H 1 4.540 0.005 . 1 . . . . . 29 TRP HA . 50491 1 326 . 1 . 1 29 29 TRP HB2 H 1 3.225 0.004 . 2 . . . . . 29 TRP HB2 . 50491 1 327 . 1 . 1 29 29 TRP HB3 H 1 3.329 0.005 . 2 . . . . . 29 TRP HB3 . 50491 1 328 . 1 . 1 29 29 TRP HD1 H 1 7.332 0.002 . 1 . . . . . 29 TRP HD1 . 50491 1 329 . 1 . 1 29 29 TRP HE1 H 1 10.565 0.000 . 1 . . . . . 29 TRP HE1 . 50491 1 330 . 1 . 1 29 29 TRP HE3 H 1 7.719 0.001 . 1 . . . . . 29 TRP HE3 . 50491 1 331 . 1 . 1 29 29 TRP HZ2 H 1 7.433 0.003 . 1 . . . . . 29 TRP HZ2 . 50491 1 332 . 1 . 1 29 29 TRP HZ3 H 1 7.066 0.004 . 1 . . . . . 29 TRP HZ3 . 50491 1 333 . 1 . 1 29 29 TRP HH2 H 1 7.076 0.007 . 1 . . . . . 29 TRP HH2 . 50491 1 334 . 1 . 1 29 29 TRP CA C 13 57.666 0.000 . 1 . . . . . 29 TRP CA . 50491 1 335 . 1 . 1 29 29 TRP CB C 13 29.909 0.010 . 1 . . . . . 29 TRP CB . 50491 1 336 . 1 . 1 29 29 TRP CD1 C 13 127.543 0.076 . 1 . . . . . 29 TRP CD1 . 50491 1 337 . 1 . 1 29 29 TRP CE3 C 13 121.171 0.001 . 1 . . . . . 29 TRP CE3 . 50491 1 338 . 1 . 1 29 29 TRP CZ2 C 13 114.552 0.039 . 1 . . . . . 29 TRP CZ2 . 50491 1 339 . 1 . 1 29 29 TRP CZ3 C 13 121.706 0.020 . 1 . . . . . 29 TRP CZ3 . 50491 1 340 . 1 . 1 29 29 TRP CH2 C 13 124.154 0.000 . 1 . . . . . 29 TRP CH2 . 50491 1 341 . 1 . 1 30 30 ORN H H 1 8.350 0.002 . 1 . . . . . 30 ORN H . 50491 1 342 . 1 . 1 30 30 ORN HA H 1 4.217 0.004 . 1 . . . . . 30 ORN HA . 50491 1 343 . 1 . 1 30 30 ORN HB2 H 1 1.662 0.004 . 2 . . . . . 30 ORN HB2 . 50491 1 344 . 1 . 1 30 30 ORN HB3 H 1 1.822 0.003 . 2 . . . . . 30 ORN HB3 . 50491 1 345 . 1 . 1 30 30 ORN HG2 H 1 1.597 0.004 . 2 . . . . . 30 ORN HG2 . 50491 1 346 . 1 . 1 30 30 ORN HG3 H 1 1.644 0.002 . 2 . . . . . 30 ORN HG3 . 50491 1 347 . 1 . 1 30 30 ORN HD2 H 1 2.953 0.005 . 2 . . . . . 30 ORN HD2 . 50491 1 348 . 1 . 1 30 30 ORN HD3 H 1 2.953 0.005 . 2 . . . . . 30 ORN HD3 . 50491 1 349 . 1 . 1 30 30 ORN HE1 H 1 7.643 0.000 . 2 . . . . . 30 ORN HE2 . 50491 1 350 . 1 . 1 30 30 ORN HE2 H 1 7.643 0.000 . 2 . . . . . 30 ORN HE3 . 50491 1 351 . 1 . 1 30 30 ORN CA C 13 55.695 0.084 . 1 . . . . . 30 ORN CA . 50491 1 352 . 1 . 1 30 30 ORN CB C 13 30.622 0.028 . 1 . . . . . 30 ORN CB . 50491 1 353 . 1 . 1 30 30 ORN CG C 13 26.009 0.081 . 1 . . . . . 30 ORN CG . 50491 1 354 . 1 . 1 30 30 ORN CD C 13 41.961 0.000 . 1 . . . . . 30 ORN CD . 50491 1 355 . 1 . 1 31 31 NH2 HN1 H 1 7.015 0.000 . 2 . . . . . 31 NH2 HN1 . 50491 1 356 . 1 . 1 31 31 NH2 HN2 H 1 7.091 0.001 . 2 . . . . . 31 NH2 HN2 . 50491 1 stop_ save_