################################### # 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 50493 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name OpOrn-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' . . . 50493 1 3 '2D 1H-1H TOCSY' . . . 50493 1 4 '2D 1H-1H NOESY' . . . 50493 1 5 '2D 1H-13C HSQC aliphatic' . . . 50493 1 6 '2D 1H-13C HSQC aromatic' . . . 50493 1 8 '2D 1H-1H TOCSY' . . . 50493 1 9 '2D 1H-1H NOESY' . . . 50493 1 10 '2D 1H-13C HSQC aliphatic' . . . 50493 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 . . 50493 1 2 $software_2 . . 50493 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 4.294 0.003 . 1 . . . . . 1 ORN HA . 50493 1 2 . 1 . 1 1 1 ORN HB2 H 1 1.926 0.004 . 2 . . . . . 1 ORN HB2 . 50493 1 3 . 1 . 1 1 1 ORN HB3 H 1 1.926 0.004 . 2 . . . . . 1 ORN HB3 . 50493 1 4 . 1 . 1 1 1 ORN HG2 H 1 1.752 0.003 . 2 . . . . . 1 ORN HG2 . 50493 1 5 . 1 . 1 1 1 ORN HG3 H 1 1.752 0.003 . 2 . . . . . 1 ORN HG3 . 50493 1 6 . 1 . 1 1 1 ORN HD2 H 1 2.997 0.002 . 2 . . . . . 1 ORN HD2 . 50493 1 7 . 1 . 1 1 1 ORN HD3 H 1 2.997 0.002 . 2 . . . . . 1 ORN HD3 . 50493 1 8 . 1 . 1 1 1 ORN CA C 13 54.076 0.000 . 1 . . . . . 1 ORN CA . 50493 1 9 . 1 . 1 1 1 ORN CB C 13 29.679 0.050 . 1 . . . . . 1 ORN CB . 50493 1 10 . 1 . 1 1 1 ORN CG C 13 25.013 0.080 . 1 . . . . . 1 ORN CG . 50493 1 11 . 1 . 1 2 2 DPR HA H 1 4.536 0.004 . 1 . . . . . 2 DPRO HA . 50493 1 12 . 1 . 1 2 2 DPR HB2 H 1 1.100 0.003 . 2 . . . . . 2 DPRO HB2 . 50493 1 13 . 1 . 1 2 2 DPR HB3 H 1 2.023 0.003 . 2 . . . . . 2 DPRO HB3 . 50493 1 14 . 1 . 1 2 2 DPR HG2 H 1 1.523 0.003 . 2 . . . . . 2 DPRO HG2 . 50493 1 15 . 1 . 1 2 2 DPR HG3 H 1 1.745 0.003 . 2 . . . . . 2 DPRO HG3 . 50493 1 16 . 1 . 1 2 2 DPR HD2 H 1 3.518 0.003 . 2 . . . . . 2 DPRO HD2 . 50493 1 17 . 1 . 1 2 2 DPR HD3 H 1 3.607 0.004 . 2 . . . . . 2 DPRO HD3 . 50493 1 18 . 1 . 1 2 2 DPR CA C 13 63.107 0.000 . 1 . . . . . 2 DPRO CA . 50493 1 19 . 1 . 1 2 2 DPR CB C 13 32.640 0.040 . 1 . . . . . 2 DPRO CB . 50493 1 20 . 1 . 1 2 2 DPR CG C 13 26.822 0.008 . 1 . . . . . 2 DPRO CG . 50493 1 21 . 1 . 1 2 2 DPR CD C 13 50.436 0.027 . 1 . . . . . 2 DPRO CD . 50493 1 22 . 1 . 1 3 3 PHE H H 1 8.629 0.002 . 1 . . . . . 3 PHE H . 50493 1 23 . 1 . 1 3 3 PHE HA H 1 5.191 0.004 . 1 . . . . . 3 PHE HA . 50493 1 24 . 1 . 1 3 3 PHE HB2 H 1 2.351 0.003 . 2 . . . . . 3 PHE HB2 . 50493 1 25 . 1 . 1 3 3 PHE HB3 H 1 3.265 0.003 . 2 . . . . . 3 PHE HB3 . 50493 1 26 . 1 . 1 3 3 PHE HD1 H 1 6.991 0.002 . 1 . . . . . 3 PHE HD1 . 50493 1 27 . 1 . 1 3 3 PHE HD2 H 1 6.991 0.002 . 1 . . . . . 3 PHE HD2 . 50493 1 28 . 1 . 1 3 3 PHE HE1 H 1 7.059 0.002 . 1 . . . . . 3 PHE HE1 . 50493 1 29 . 1 . 1 3 3 PHE HE2 H 1 7.059 0.002 . 1 . . . . . 3 PHE HE2 . 50493 1 30 . 1 . 1 3 3 PHE HZ H 1 6.991 0.000 . 1 . . . . . 3 PHE HZ . 50493 1 31 . 1 . 1 3 3 PHE CA C 13 56.172 0.000 . 1 . . . . . 3 PHE CA . 50493 1 32 . 1 . 1 3 3 PHE CB C 13 41.358 0.006 . 1 . . . . . 3 PHE CB . 50493 1 33 . 1 . 1 3 3 PHE CD1 C 13 132.164 0.000 . 1 . . . . . 3 PHE CD1 . 50493 1 34 . 1 . 1 3 3 PHE CD2 C 13 132.164 0.000 . 1 . . . . . 3 PHE CD2 . 50493 1 35 . 1 . 1 3 3 PHE CE1 C 13 130.453 0.000 . 1 . . . . . 3 PHE CE1 . 50493 1 36 . 1 . 1 3 3 PHE CE2 C 13 130.453 0.000 . 1 . . . . . 3 PHE CE2 . 50493 1 37 . 1 . 1 3 3 PHE CZ C 13 128.528 0.000 . 1 . . . . . 3 PHE CZ . 50493 1 38 . 1 . 1 4 4 THR H H 1 8.807 0.001 . 1 . . . . . 4 THR H . 50493 1 39 . 1 . 1 4 4 THR HA H 1 4.554 0.005 . 1 . . . . . 4 THR HA . 50493 1 40 . 1 . 1 4 4 THR HB H 1 4.777 0.003 . 1 . . . . . 4 THR HB . 50493 1 41 . 1 . 1 4 4 THR HG21 H 1 1.339 0.002 . 1 . . . . . 4 THR QG2 . 50493 1 42 . 1 . 1 4 4 THR HG22 H 1 1.339 0.002 . 1 . . . . . 4 THR QG2 . 50493 1 43 . 1 . 1 4 4 THR HG23 H 1 1.339 0.002 . 1 . . . . . 4 THR QG2 . 50493 1 44 . 1 . 1 4 4 THR CA C 13 60.892 0.000 . 1 . . . . . 4 THR CA . 50493 1 45 . 1 . 1 4 4 THR CB C 13 71.123 0.000 . 1 . . . . . 4 THR CB . 50493 1 46 . 1 . 1 4 4 THR CG2 C 13 21.801 0.039 . 1 . . . . . 4 THR CG2 . 50493 1 47 . 1 . 1 5 5 ORN H H 1 9.050 0.001 . 1 . . . . . 5 ORN H . 50493 1 48 . 1 . 1 5 5 ORN HA H 1 4.213 0.003 . 1 . . . . . 5 ORN HA . 50493 1 49 . 1 . 1 5 5 ORN HB2 H 1 1.948 0.002 . 2 . . . . . 5 ORN HB2 . 50493 1 50 . 1 . 1 5 5 ORN HB3 H 1 2.014 0.003 . 2 . . . . . 5 ORN HB3 . 50493 1 51 . 1 . 1 5 5 ORN HG2 H 1 1.804 0.004 . 2 . . . . . 5 ORN HG2 . 50493 1 52 . 1 . 1 5 5 ORN HG3 H 1 1.943 0.000 . 2 . . . . . 5 ORN HG3 . 50493 1 53 . 1 . 1 5 5 ORN HD2 H 1 3.093 0.004 . 2 . . . . . 5 ORN HD2 . 50493 1 54 . 1 . 1 5 5 ORN HD3 H 1 3.093 0.004 . 2 . . . . . 5 ORN HD3 . 50493 1 55 . 1 . 1 5 5 ORN HE1 H 1 7.705 0.000 . 2 . . . . . 5 ORN HE2 . 50493 1 56 . 1 . 1 5 5 ORN HE2 H 1 7.705 0.000 . 2 . . . . . 5 ORN HE3 . 50493 1 57 . 1 . 1 5 5 ORN CA C 13 60.130 0.049 . 1 . . . . . 5 ORN CA . 50493 1 58 . 1 . 1 5 5 ORN CB C 13 29.815 0.000 . 1 . . . . . 5 ORN CB . 50493 1 59 . 1 . 1 5 5 ORN CG C 13 26.543 0.068 . 1 . . . . . 5 ORN CG . 50493 1 60 . 1 . 1 5 5 ORN CD C 13 41.815 0.125 . 1 . . . . . 5 ORN CD . 50493 1 61 . 1 . 1 6 6 ALA H H 1 8.539 0.001 . 1 . . . . . 6 ALA H . 50493 1 62 . 1 . 1 6 6 ALA HA H 1 4.281 0.003 . 1 . . . . . 6 ALA HA . 50493 1 63 . 1 . 1 6 6 ALA HB1 H 1 1.462 0.001 . 1 . . . . . 6 ALA HB# . 50493 1 64 . 1 . 1 6 6 ALA HB2 H 1 1.462 0.001 . 1 . . . . . 6 ALA HB# . 50493 1 65 . 1 . 1 6 6 ALA HB3 H 1 1.462 0.001 . 1 . . . . . 6 ALA HB# . 50493 1 66 . 1 . 1 6 6 ALA CA C 13 55.028 0.000 . 1 . . . . . 6 ALA CA . 50493 1 67 . 1 . 1 6 6 ALA CB C 13 18.590 0.076 . 1 . . . . . 6 ALA CB . 50493 1 68 . 1 . 1 7 7 GLN H H 1 7.923 0.003 . 1 . . . . . 7 GLN H . 50493 1 69 . 1 . 1 7 7 GLN HA H 1 4.039 0.003 . 1 . . . . . 7 GLN HA . 50493 1 70 . 1 . 1 7 7 GLN HB2 H 1 1.735 0.004 . 2 . . . . . 7 GLN HB2 . 50493 1 71 . 1 . 1 7 7 GLN HB3 H 1 1.735 0.004 . 2 . . . . . 7 GLN HB3 . 50493 1 72 . 1 . 1 7 7 GLN HG2 H 1 2.417 0.003 . 2 . . . . . 7 GLN HG2 . 50493 1 73 . 1 . 1 7 7 GLN HG3 H 1 2.585 0.006 . 2 . . . . . 7 GLN HG3 . 50493 1 74 . 1 . 1 7 7 GLN HE21 H 1 6.872 0.000 . 2 . . . . . 7 GLN HE21 . 50493 1 75 . 1 . 1 7 7 GLN HE22 H 1 7.705 0.001 . 2 . . . . . 7 GLN HE22 . 50493 1 76 . 1 . 1 7 7 GLN CA C 13 58.965 0.038 . 1 . . . . . 7 GLN CA . 50493 1 77 . 1 . 1 7 7 GLN CB C 13 28.459 0.000 . 1 . . . . . 7 GLN CB . 50493 1 78 . 1 . 1 7 7 GLN CG C 13 34.761 0.057 . 1 . . . . . 7 GLN CG . 50493 1 79 . 1 . 1 8 8 TRP H H 1 8.693 0.002 . 1 . . . . . 8 TRP H . 50493 1 80 . 1 . 1 8 8 TRP HA H 1 4.432 0.003 . 1 . . . . . 8 TRP HA . 50493 1 81 . 1 . 1 8 8 TRP HB2 H 1 3.280 0.006 . 2 . . . . . 8 TRP HB2 . 50493 1 82 . 1 . 1 8 8 TRP HB3 H 1 3.339 0.004 . 2 . . . . . 8 TRP HB3 . 50493 1 83 . 1 . 1 8 8 TRP HD1 H 1 7.111 0.001 . 1 . . . . . 8 TRP HD1 . 50493 1 84 . 1 . 1 8 8 TRP HE1 H 1 10.682 0.001 . 1 . . . . . 8 TRP HE1 . 50493 1 85 . 1 . 1 8 8 TRP HE3 H 1 7.334 0.004 . 1 . . . . . 8 TRP HE3 . 50493 1 86 . 1 . 1 8 8 TRP HZ2 H 1 7.604 0.003 . 1 . . . . . 8 TRP HZ2 . 50493 1 87 . 1 . 1 8 8 TRP HZ3 H 1 6.887 0.005 . 1 . . . . . 8 TRP HZ3 . 50493 1 88 . 1 . 1 8 8 TRP HH2 H 1 7.096 0.003 . 1 . . . . . 8 TRP HH2 . 50493 1 89 . 1 . 1 8 8 TRP CA C 13 60.053 0.000 . 1 . . . . . 8 TRP CA . 50493 1 90 . 1 . 1 8 8 TRP CB C 13 29.953 0.038 . 1 . . . . . 8 TRP CB . 50493 1 91 . 1 . 1 8 8 TRP CD1 C 13 127.787 0.000 . 1 . . . . . 8 TRP CD1 . 50493 1 92 . 1 . 1 8 8 TRP CE3 C 13 120.962 0.000 . 1 . . . . . 8 TRP CE3 . 50493 1 93 . 1 . 1 8 8 TRP CZ2 C 13 115.151 0.000 . 1 . . . . . 8 TRP CZ2 . 50493 1 94 . 1 . 1 8 8 TRP CZ3 C 13 121.412 0.000 . 1 . . . . . 8 TRP CZ3 . 50493 1 95 . 1 . 1 8 8 TRP CH2 C 13 123.892 0.000 . 1 . . . . . 8 TRP CH2 . 50493 1 96 . 1 . 1 9 9 PHE H H 1 8.353 0.001 . 1 . . . . . 9 PHE H . 50493 1 97 . 1 . 1 9 9 PHE HA H 1 4.302 0.004 . 1 . . . . . 9 PHE HA . 50493 1 98 . 1 . 1 9 9 PHE HB2 H 1 3.254 0.004 . 2 . . . . . 9 PHE HB2 . 50493 1 99 . 1 . 1 9 9 PHE HB3 H 1 3.254 0.004 . 2 . . . . . 9 PHE HB3 . 50493 1 100 . 1 . 1 9 9 PHE HD1 H 1 7.278 0.004 . 1 . . . . . 9 PHE HD1 . 50493 1 101 . 1 . 1 9 9 PHE HD2 H 1 7.278 0.004 . 1 . . . . . 9 PHE HD2 . 50493 1 102 . 1 . 1 9 9 PHE HE1 H 1 7.250 0.003 . 1 . . . . . 9 PHE HE1 . 50493 1 103 . 1 . 1 9 9 PHE HE2 H 1 7.250 0.003 . 1 . . . . . 9 PHE HE2 . 50493 1 104 . 1 . 1 9 9 PHE HZ H 1 7.111 0.002 . 1 . . . . . 9 PHE HZ . 50493 1 105 . 1 . 1 9 9 PHE CA C 13 61.282 0.000 . 1 . . . . . 9 PHE CA . 50493 1 106 . 1 . 1 9 9 PHE CB C 13 38.963 0.028 . 1 . . . . . 9 PHE CB . 50493 1 107 . 1 . 1 9 9 PHE CD1 C 13 132.099 0.000 . 1 . . . . . 9 PHE CD1 . 50493 1 108 . 1 . 1 9 9 PHE CD2 C 13 132.099 0.000 . 1 . . . . . 9 PHE CD2 . 50493 1 109 . 1 . 1 9 9 PHE CE1 C 13 131.519 0.000 . 1 . . . . . 9 PHE CE1 . 50493 1 110 . 1 . 1 9 9 PHE CE2 C 13 131.519 0.000 . 1 . . . . . 9 PHE CE2 . 50493 1 111 . 1 . 1 9 9 PHE CZ C 13 129.909 0.000 . 1 . . . . . 9 PHE CZ . 50493 1 112 . 1 . 1 10 10 ALA H H 1 7.845 0.004 . 1 . . . . . 10 ALA H . 50493 1 113 . 1 . 1 10 10 ALA HA H 1 4.126 0.002 . 1 . . . . . 10 ALA HA . 50493 1 114 . 1 . 1 10 10 ALA HB1 H 1 1.563 0.003 . 1 . . . . . 10 ALA HB# . 50493 1 115 . 1 . 1 10 10 ALA HB2 H 1 1.563 0.003 . 1 . . . . . 10 ALA HB# . 50493 1 116 . 1 . 1 10 10 ALA HB3 H 1 1.563 0.003 . 1 . . . . . 10 ALA HB# . 50493 1 117 . 1 . 1 10 10 ALA CA C 13 55.289 0.044 . 1 . . . . . 10 ALA CA . 50493 1 118 . 1 . 1 10 10 ALA CB C 13 18.388 0.014 . 1 . . . . . 10 ALA CB . 50493 1 119 . 1 . 1 11 11 ILE H H 1 8.044 0.002 . 1 . . . . . 11 ILE H . 50493 1 120 . 1 . 1 11 11 ILE HA H 1 3.559 0.002 . 1 . . . . . 11 ILE HA . 50493 1 121 . 1 . 1 11 11 ILE HB H 1 1.742 0.002 . 1 . . . . . 11 ILE HB . 50493 1 122 . 1 . 1 11 11 ILE HG12 H 1 0.814 0.004 . 2 . . . . . 11 ILE HG12 . 50493 1 123 . 1 . 1 11 11 ILE HG13 H 1 1.519 0.005 . 2 . . . . . 11 ILE HG13 . 50493 1 124 . 1 . 1 11 11 ILE HG21 H 1 0.684 0.001 . 1 . . . . . 11 ILE QG2 . 50493 1 125 . 1 . 1 11 11 ILE HG22 H 1 0.684 0.001 . 1 . . . . . 11 ILE QG2 . 50493 1 126 . 1 . 1 11 11 ILE HG23 H 1 0.684 0.001 . 1 . . . . . 11 ILE QG2 . 50493 1 127 . 1 . 1 11 11 ILE HD11 H 1 0.203 0.002 . 1 . . . . . 11 ILE QD1 . 50493 1 128 . 1 . 1 11 11 ILE HD12 H 1 0.203 0.002 . 1 . . . . . 11 ILE QD1 . 50493 1 129 . 1 . 1 11 11 ILE HD13 H 1 0.203 0.002 . 1 . . . . . 11 ILE QD1 . 50493 1 130 . 1 . 1 11 11 ILE CA C 13 64.693 0.036 . 1 . . . . . 11 ILE CA . 50493 1 131 . 1 . 1 11 11 ILE CB C 13 38.091 0.013 . 1 . . . . . 11 ILE CB . 50493 1 132 . 1 . 1 11 11 ILE CG1 C 13 29.659 0.028 . 1 . . . . . 11 ILE CG1 . 50493 1 133 . 1 . 1 11 11 ILE CG2 C 13 17.622 0.023 . 1 . . . . . 11 ILE CG2 . 50493 1 134 . 1 . 1 11 11 ILE CD1 C 13 13.299 0.019 . 1 . . . . . 11 ILE CD1 . 50493 1 135 . 1 . 1 12 12 GLN H H 1 7.766 0.002 . 1 . . . . . 12 GLN H . 50493 1 136 . 1 . 1 12 12 GLN HA H 1 3.788 0.003 . 1 . . . . . 12 GLN HA . 50493 1 137 . 1 . 1 12 12 GLN HB2 H 1 1.704 0.004 . 2 . . . . . 12 GLN HB2 . 50493 1 138 . 1 . 1 12 12 GLN HB3 H 1 1.824 0.002 . 2 . . . . . 12 GLN HB3 . 50493 1 139 . 1 . 1 12 12 GLN HG2 H 1 1.944 0.003 . 2 . . . . . 12 GLN HG2 . 50493 1 140 . 1 . 1 12 12 GLN HG3 H 1 2.081 0.004 . 2 . . . . . 12 GLN HG3 . 50493 1 141 . 1 . 1 12 12 GLN HE21 H 1 6.668 0.002 . 2 . . . . . 12 GLN HE21 . 50493 1 142 . 1 . 1 12 12 GLN HE22 H 1 6.965 0.004 . 2 . . . . . 12 GLN HE22 . 50493 1 143 . 1 . 1 12 12 GLN CA C 13 57.726 0.000 . 1 . . . . . 12 GLN CA . 50493 1 144 . 1 . 1 12 12 GLN CB C 13 29.288 0.000 . 1 . . . . . 12 GLN CB . 50493 1 145 . 1 . 1 12 12 GLN CG C 13 34.556 0.012 . 1 . . . . . 12 GLN CG . 50493 1 146 . 1 . 1 13 13 HIS H H 1 7.562 0.003 . 1 . . . . . 13 HIS H . 50493 1 147 . 1 . 1 13 13 HIS HA H 1 4.479 0.004 . 1 . . . . . 13 HIS HA . 50493 1 148 . 1 . 1 13 13 HIS HB2 H 1 2.799 0.004 . 2 . . . . . 13 HIS HB2 . 50493 1 149 . 1 . 1 13 13 HIS HB3 H 1 3.427 0.005 . 2 . . . . . 13 HIS HB3 . 50493 1 150 . 1 . 1 13 13 HIS HD2 H 1 7.092 0.001 . 1 . . . . . 13 HIS HD2 . 50493 1 151 . 1 . 1 13 13 HIS HE1 H 1 7.907 0.002 . 1 . . . . . 13 HIS HE1 . 50493 1 152 . 1 . 1 13 13 HIS CA C 13 56.351 0.000 . 1 . . . . . 13 HIS CA . 50493 1 153 . 1 . 1 13 13 HIS CB C 13 28.738 0.076 . 1 . . . . . 13 HIS CB . 50493 1 154 . 1 . 1 13 13 HIS CD2 C 13 119.765 0.000 . 1 . . . . . 13 HIS CD2 . 50493 1 155 . 1 . 1 13 13 HIS CE1 C 13 135.880 0.000 . 1 . . . . . 13 HIS CE1 . 50493 1 156 . 1 . 1 14 14 ILE H H 1 7.436 0.002 . 1 . . . . . 14 ILE H . 50493 1 157 . 1 . 1 14 14 ILE HA H 1 4.116 0.003 . 1 . . . . . 14 ILE HA . 50493 1 158 . 1 . 1 14 14 ILE HB H 1 1.908 0.004 . 1 . . . . . 14 ILE HB . 50493 1 159 . 1 . 1 14 14 ILE HG12 H 1 1.226 0.003 . 2 . . . . . 14 ILE HG12 . 50493 1 160 . 1 . 1 14 14 ILE HG13 H 1 1.634 0.005 . 2 . . . . . 14 ILE HG13 . 50493 1 161 . 1 . 1 14 14 ILE HG21 H 1 0.870 0.002 . 1 . . . . . 14 ILE QG2 . 50493 1 162 . 1 . 1 14 14 ILE HG22 H 1 0.870 0.002 . 1 . . . . . 14 ILE QG2 . 50493 1 163 . 1 . 1 14 14 ILE HG23 H 1 0.870 0.002 . 1 . . . . . 14 ILE QG2 . 50493 1 164 . 1 . 1 14 14 ILE HD11 H 1 0.826 0.004 . 1 . . . . . 14 ILE QD1 . 50493 1 165 . 1 . 1 14 14 ILE HD12 H 1 0.826 0.004 . 1 . . . . . 14 ILE QD1 . 50493 1 166 . 1 . 1 14 14 ILE HD13 H 1 0.826 0.004 . 1 . . . . . 14 ILE QD1 . 50493 1 167 . 1 . 1 14 14 ILE CA C 13 61.676 0.031 . 1 . . . . . 14 ILE CA . 50493 1 168 . 1 . 1 14 14 ILE CB C 13 39.093 0.003 . 1 . . . . . 14 ILE CB . 50493 1 169 . 1 . 1 14 14 ILE CG1 C 13 27.716 0.025 . 1 . . . . . 14 ILE CG1 . 50493 1 170 . 1 . 1 14 14 ILE CG2 C 13 17.778 0.014 . 1 . . . . . 14 ILE CG2 . 50493 1 171 . 1 . 1 14 14 ILE CD1 C 13 14.088 0.001 . 1 . . . . . 14 ILE CD1 . 50493 1 172 . 1 . 1 15 15 SER H H 1 8.373 0.001 . 1 . . . . . 15 SER H . 50493 1 173 . 1 . 1 15 15 SER HA H 1 4.964 0.005 . 1 . . . . . 15 SER HA . 50493 1 174 . 1 . 1 15 15 SER HB2 H 1 3.913 0.006 . 2 . . . . . 15 SER HB2 . 50493 1 175 . 1 . 1 15 15 SER HB3 H 1 3.978 0.006 . 2 . . . . . 15 SER HB3 . 50493 1 176 . 1 . 1 15 15 SER CA C 13 54.570 0.000 . 1 . . . . . 15 SER CA . 50493 1 177 . 1 . 1 15 15 SER CB C 13 63.381 0.003 . 1 . . . . . 15 SER CB . 50493 1 178 . 1 . 1 16 16 PRO HA H 1 4.147 0.006 . 1 . . . . . 16 PRO HA . 50493 1 179 . 1 . 1 16 16 PRO HB2 H 1 2.007 0.005 . 2 . . . . . 16 PRO HB2 . 50493 1 180 . 1 . 1 16 16 PRO HB3 H 1 2.167 0.005 . 2 . . . . . 16 PRO HB3 . 50493 1 181 . 1 . 1 16 16 PRO HG2 H 1 1.825 0.004 . 2 . . . . . 16 PRO HG2 . 50493 1 182 . 1 . 1 16 16 PRO HG3 H 1 2.152 0.002 . 2 . . . . . 16 PRO HG3 . 50493 1 183 . 1 . 1 16 16 PRO HD2 H 1 3.952 0.005 . 2 . . . . . 16 PRO HD2 . 50493 1 184 . 1 . 1 16 16 PRO HD3 H 1 4.121 0.003 . 2 . . . . . 16 PRO HD3 . 50493 1 185 . 1 . 1 16 16 PRO CA C 13 65.315 0.000 . 1 . . . . . 16 PRO CA . 50493 1 186 . 1 . 1 16 16 PRO CB C 13 32.491 0.008 . 1 . . . . . 16 PRO CB . 50493 1 187 . 1 . 1 16 16 PRO CG C 13 27.955 0.027 . 1 . . . . . 16 PRO CG . 50493 1 188 . 1 . 1 16 16 PRO CD C 13 50.836 0.031 . 1 . . . . . 16 PRO CD . 50493 1 189 . 1 . 1 17 17 ORN H H 1 8.700 0.001 . 1 . . . . . 17 ORN H . 50493 1 190 . 1 . 1 17 17 ORN HA H 1 3.952 0.002 . 1 . . . . . 17 ORN HA . 50493 1 191 . 1 . 1 17 17 ORN HB2 H 1 1.912 0.001 . 2 . . . . . 17 ORN HB2 . 50493 1 192 . 1 . 1 17 17 ORN HB3 H 1 1.912 0.001 . 2 . . . . . 17 ORN HB3 . 50493 1 193 . 1 . 1 17 17 ORN HG2 H 1 1.697 0.004 . 2 . . . . . 17 ORN HG2 . 50493 1 194 . 1 . 1 17 17 ORN HG3 H 1 1.774 0.002 . 2 . . . . . 17 ORN HG3 . 50493 1 195 . 1 . 1 17 17 ORN HD2 H 1 3.015 0.003 . 2 . . . . . 17 ORN HD2 . 50493 1 196 . 1 . 1 17 17 ORN HD3 H 1 3.015 0.003 . 2 . . . . . 17 ORN HD3 . 50493 1 197 . 1 . 1 17 17 ORN HE1 H 1 7.888 0.006 . 2 . . . . . 17 ORN HE2 . 50493 1 198 . 1 . 1 17 17 ORN HE2 H 1 7.888 0.006 . 2 . . . . . 17 ORN HE3 . 50493 1 199 . 1 . 1 17 17 ORN CA C 13 59.841 0.075 . 1 . . . . . 17 ORN CA . 50493 1 200 . 1 . 1 17 17 ORN CB C 13 30.108 0.020 . 1 . . . . . 17 ORN CB . 50493 1 201 . 1 . 1 17 17 ORN CG C 13 26.566 0.037 . 1 . . . . . 17 ORN CG . 50493 1 202 . 1 . 1 17 17 ORN CD C 13 41.787 0.057 . 1 . . . . . 17 ORN CD . 50493 1 203 . 1 . 1 18 18 THR H H 1 7.673 0.002 . 1 . . . . . 18 THR H . 50493 1 204 . 1 . 1 18 18 THR HA H 1 4.020 0.005 . 1 . . . . . 18 THR HA . 50493 1 205 . 1 . 1 18 18 THR HB H 1 4.324 0.004 . 1 . . . . . 18 THR HB . 50493 1 206 . 1 . 1 18 18 THR HG21 H 1 1.270 0.002 . 1 . . . . . 18 THR QG2 . 50493 1 207 . 1 . 1 18 18 THR HG22 H 1 1.270 0.002 . 1 . . . . . 18 THR QG2 . 50493 1 208 . 1 . 1 18 18 THR HG23 H 1 1.270 0.002 . 1 . . . . . 18 THR QG2 . 50493 1 209 . 1 . 1 18 18 THR CA C 13 65.640 0.000 . 1 . . . . . 18 THR CA . 50493 1 210 . 1 . 1 18 18 THR CB C 13 68.772 0.000 . 1 . . . . . 18 THR CB . 50493 1 211 . 1 . 1 18 18 THR CG2 C 13 22.145 0.033 . 1 . . . . . 18 THR CG2 . 50493 1 212 . 1 . 1 19 19 ILE H H 1 7.765 0.001 . 1 . . . . . 19 ILE H . 50493 1 213 . 1 . 1 19 19 ILE HA H 1 3.789 0.002 . 1 . . . . . 19 ILE HA . 50493 1 214 . 1 . 1 19 19 ILE HB H 1 1.908 0.003 . 1 . . . . . 19 ILE HB . 50493 1 215 . 1 . 1 19 19 ILE HG12 H 1 1.241 0.006 . 2 . . . . . 19 ILE HG12 . 50493 1 216 . 1 . 1 19 19 ILE HG13 H 1 1.659 0.004 . 2 . . . . . 19 ILE HG13 . 50493 1 217 . 1 . 1 19 19 ILE HG21 H 1 0.920 0.001 . 1 . . . . . 19 ILE QG2 . 50493 1 218 . 1 . 1 19 19 ILE HG22 H 1 0.920 0.001 . 1 . . . . . 19 ILE QG2 . 50493 1 219 . 1 . 1 19 19 ILE HG23 H 1 0.920 0.001 . 1 . . . . . 19 ILE QG2 . 50493 1 220 . 1 . 1 19 19 ILE HD11 H 1 0.843 0.003 . 1 . . . . . 19 ILE QD1 . 50493 1 221 . 1 . 1 19 19 ILE HD12 H 1 0.843 0.003 . 1 . . . . . 19 ILE QD1 . 50493 1 222 . 1 . 1 19 19 ILE HD13 H 1 0.843 0.003 . 1 . . . . . 19 ILE QD1 . 50493 1 223 . 1 . 1 19 19 ILE CA C 13 64.234 0.085 . 1 . . . . . 19 ILE CA . 50493 1 224 . 1 . 1 19 19 ILE CB C 13 37.989 0.017 . 1 . . . . . 19 ILE CB . 50493 1 225 . 1 . 1 19 19 ILE CG1 C 13 28.508 0.010 . 1 . . . . . 19 ILE CG1 . 50493 1 226 . 1 . 1 19 19 ILE CG2 C 13 17.768 0.014 . 1 . . . . . 19 ILE CG2 . 50493 1 227 . 1 . 1 19 19 ILE CD1 C 13 13.422 0.017 . 1 . . . . . 19 ILE CD1 . 50493 1 228 . 1 . 1 20 20 ALA H H 1 8.264 0.002 . 1 . . . . . 20 ALA H . 50493 1 229 . 1 . 1 20 20 ALA HA H 1 4.047 0.004 . 1 . . . . . 20 ALA HA . 50493 1 230 . 1 . 1 20 20 ALA HB1 H 1 1.442 0.001 . 1 . . . . . 20 ALA HB# . 50493 1 231 . 1 . 1 20 20 ALA HB2 H 1 1.442 0.001 . 1 . . . . . 20 ALA HB# . 50493 1 232 . 1 . 1 20 20 ALA HB3 H 1 1.442 0.001 . 1 . . . . . 20 ALA HB# . 50493 1 233 . 1 . 1 20 20 ALA CA C 13 55.079 0.038 . 1 . . . . . 20 ALA CA . 50493 1 234 . 1 . 1 20 20 ALA CB C 13 18.798 0.018 . 1 . . . . . 20 ALA CB . 50493 1 235 . 1 . 1 21 21 MET H H 1 8.142 0.003 . 1 . . . . . 21 MET H . 50493 1 236 . 1 . 1 21 21 MET HA H 1 4.303 0.003 . 1 . . . . . 21 MET HA . 50493 1 237 . 1 . 1 21 21 MET HB2 H 1 2.141 0.003 . 2 . . . . . 21 MET HB2 . 50493 1 238 . 1 . 1 21 21 MET HB3 H 1 2.177 0.004 . 2 . . . . . 21 MET HB3 . 50493 1 239 . 1 . 1 21 21 MET HG2 H 1 2.664 0.004 . 2 . . . . . 21 MET HG2 . 50493 1 240 . 1 . 1 21 21 MET HG3 H 1 2.770 0.003 . 2 . . . . . 21 MET HG3 . 50493 1 241 . 1 . 1 21 21 MET HE1 H 1 2.084 0.001 . 1 . . . . . 21 MET HE# . 50493 1 242 . 1 . 1 21 21 MET HE2 H 1 2.084 0.001 . 1 . . . . . 21 MET HE# . 50493 1 243 . 1 . 1 21 21 MET HE3 H 1 2.084 0.001 . 1 . . . . . 21 MET HE# . 50493 1 244 . 1 . 1 21 21 MET CA C 13 57.571 0.000 . 1 . . . . . 21 MET CA . 50493 1 245 . 1 . 1 21 21 MET CB C 13 31.771 0.013 . 1 . . . . . 21 MET CB . 50493 1 246 . 1 . 1 21 21 MET CG C 13 32.304 0.008 . 1 . . . . . 21 MET CG . 50493 1 247 . 1 . 1 21 21 MET CE C 13 16.813 0.004 . 1 . . . . . 21 MET CE . 50493 1 248 . 1 . 1 22 22 ORN H H 1 7.998 0.004 . 1 . . . . . 22 ORN H . 50493 1 249 . 1 . 1 22 22 ORN HA H 1 4.125 0.003 . 1 . . . . . 22 ORN HA . 50493 1 250 . 1 . 1 22 22 ORN HB2 H 1 1.974 0.005 . 2 . . . . . 22 ORN HB2 . 50493 1 251 . 1 . 1 22 22 ORN HB3 H 1 1.974 0.005 . 2 . . . . . 22 ORN HB3 . 50493 1 252 . 1 . 1 22 22 ORN HG2 H 1 1.783 0.004 . 2 . . . . . 22 ORN HG2 . 50493 1 253 . 1 . 1 22 22 ORN HG3 H 1 1.880 0.005 . 2 . . . . . 22 ORN HG3 . 50493 1 254 . 1 . 1 22 22 ORN HD2 H 1 2.986 0.002 . 2 . . . . . 22 ORN HD2 . 50493 1 255 . 1 . 1 22 22 ORN HD3 H 1 2.986 0.002 . 2 . . . . . 22 ORN HD3 . 50493 1 256 . 1 . 1 22 22 ORN HE1 H 1 7.794 0.001 . 2 . . . . . 22 ORN HE2 . 50493 1 257 . 1 . 1 22 22 ORN HE2 H 1 7.794 0.001 . 2 . . . . . 22 ORN HE3 . 50493 1 258 . 1 . 1 22 22 ORN CA C 13 58.769 0.051 . 1 . . . . . 22 ORN CA . 50493 1 259 . 1 . 1 22 22 ORN CB C 13 29.828 0.000 . 1 . . . . . 22 ORN CB . 50493 1 260 . 1 . 1 22 22 ORN CG C 13 26.575 0.066 . 1 . . . . . 22 ORN CG . 50493 1 261 . 1 . 1 22 22 ORN CD C 13 41.677 0.133 . 1 . . . . . 22 ORN CD . 50493 1 262 . 1 . 1 23 23 ALA H H 1 8.026 0.003 . 1 . . . . . 23 ALA H . 50493 1 263 . 1 . 1 23 23 ALA HA H 1 4.191 0.002 . 1 . . . . . 23 ALA HA . 50493 1 264 . 1 . 1 23 23 ALA HB1 H 1 1.539 0.001 . 1 . . . . . 23 ALA HB# . 50493 1 265 . 1 . 1 23 23 ALA HB2 H 1 1.539 0.001 . 1 . . . . . 23 ALA HB# . 50493 1 266 . 1 . 1 23 23 ALA HB3 H 1 1.539 0.001 . 1 . . . . . 23 ALA HB# . 50493 1 267 . 1 . 1 23 23 ALA CA C 13 55.111 0.051 . 1 . . . . . 23 ALA CA . 50493 1 268 . 1 . 1 23 23 ALA CB C 13 18.700 0.012 . 1 . . . . . 23 ALA CB . 50493 1 269 . 1 . 1 24 24 ILE H H 1 8.149 0.003 . 1 . . . . . 24 ILE H . 50493 1 270 . 1 . 1 24 24 ILE HA H 1 3.888 0.001 . 1 . . . . . 24 ILE HA . 50493 1 271 . 1 . 1 24 24 ILE HB H 1 2.013 0.002 . 1 . . . . . 24 ILE HB . 50493 1 272 . 1 . 1 24 24 ILE HG12 H 1 1.196 0.004 . 2 . . . . . 24 ILE HG12 . 50493 1 273 . 1 . 1 24 24 ILE HG13 H 1 1.789 0.004 . 2 . . . . . 24 ILE HG13 . 50493 1 274 . 1 . 1 24 24 ILE HG21 H 1 0.985 0.001 . 1 . . . . . 24 ILE QG2 . 50493 1 275 . 1 . 1 24 24 ILE HG22 H 1 0.985 0.001 . 1 . . . . . 24 ILE QG2 . 50493 1 276 . 1 . 1 24 24 ILE HG23 H 1 0.985 0.001 . 1 . . . . . 24 ILE QG2 . 50493 1 277 . 1 . 1 24 24 ILE HD11 H 1 0.883 0.004 . 1 . . . . . 24 ILE QD1 . 50493 1 278 . 1 . 1 24 24 ILE HD12 H 1 0.883 0.004 . 1 . . . . . 24 ILE QD1 . 50493 1 279 . 1 . 1 24 24 ILE HD13 H 1 0.883 0.004 . 1 . . . . . 24 ILE QD1 . 50493 1 280 . 1 . 1 24 24 ILE CA C 13 64.461 0.078 . 1 . . . . . 24 ILE CA . 50493 1 281 . 1 . 1 24 24 ILE CB C 13 38.523 0.006 . 1 . . . . . 24 ILE CB . 50493 1 282 . 1 . 1 24 24 ILE CG1 C 13 29.422 0.017 . 1 . . . . . 24 ILE CG1 . 50493 1 283 . 1 . 1 24 24 ILE CG2 C 13 17.736 0.010 . 1 . . . . . 24 ILE CG2 . 50493 1 284 . 1 . 1 24 24 ILE CD1 C 13 13.951 0.005 . 1 . . . . . 24 ILE CD1 . 50493 1 285 . 1 . 1 25 25 ASN H H 1 8.086 0.002 . 1 . . . . . 25 ASN H . 50493 1 286 . 1 . 1 25 25 ASN HA H 1 4.601 0.004 . 1 . . . . . 25 ASN HA . 50493 1 287 . 1 . 1 25 25 ASN HB2 H 1 2.809 0.004 . 2 . . . . . 25 ASN HB2 . 50493 1 288 . 1 . 1 25 25 ASN HB3 H 1 2.859 0.005 . 2 . . . . . 25 ASN HB3 . 50493 1 289 . 1 . 1 25 25 ASN HD21 H 1 6.886 0.002 . 2 . . . . . 25 ASN HD21 . 50493 1 290 . 1 . 1 25 25 ASN HD22 H 1 7.556 0.001 . 2 . . . . . 25 ASN HD22 . 50493 1 291 . 1 . 1 25 25 ASN CA C 13 55.330 0.000 . 1 . . . . . 25 ASN CA . 50493 1 292 . 1 . 1 25 25 ASN CB C 13 38.900 0.007 . 1 . . . . . 25 ASN CB . 50493 1 293 . 1 . 1 26 26 ASN H H 1 7.989 0.002 . 1 . . . . . 26 ASN H . 50493 1 294 . 1 . 1 26 26 ASN HA H 1 4.654 0.007 . 1 . . . . . 26 ASN HA . 50493 1 295 . 1 . 1 26 26 ASN HB2 H 1 2.713 0.004 . 2 . . . . . 26 ASN HB2 . 50493 1 296 . 1 . 1 26 26 ASN HB3 H 1 2.749 0.005 . 2 . . . . . 26 ASN HB3 . 50493 1 297 . 1 . 1 26 26 ASN HD21 H 1 7.024 0.002 . 2 . . . . . 26 ASN HD21 . 50493 1 298 . 1 . 1 26 26 ASN HD22 H 1 7.538 0.002 . 2 . . . . . 26 ASN HD22 . 50493 1 299 . 1 . 1 26 26 ASN CA C 13 54.245 0.000 . 1 . . . . . 26 ASN CA . 50493 1 300 . 1 . 1 26 26 ASN CB C 13 39.609 0.011 . 1 . . . . . 26 ASN CB . 50493 1 301 . 1 . 1 27 27 TYR H H 1 7.812 0.003 . 1 . . . . . 27 TYR H . 50493 1 302 . 1 . 1 27 27 TYR HA H 1 4.353 0.004 . 1 . . . . . 27 TYR HA . 50493 1 303 . 1 . 1 27 27 TYR HB2 H 1 2.864 0.004 . 2 . . . . . 27 TYR HB2 . 50493 1 304 . 1 . 1 27 27 TYR HB3 H 1 2.864 0.004 . 2 . . . . . 27 TYR HB3 . 50493 1 305 . 1 . 1 27 27 TYR HD1 H 1 6.880 0.002 . 1 . . . . . 27 TYR HD1 . 50493 1 306 . 1 . 1 27 27 TYR HD2 H 1 6.880 0.002 . 1 . . . . . 27 TYR HD2 . 50493 1 307 . 1 . 1 27 27 TYR HE1 H 1 6.680 0.002 . 1 . . . . . 27 TYR HE1 . 50493 1 308 . 1 . 1 27 27 TYR HE2 H 1 6.680 0.002 . 1 . . . . . 27 TYR HE2 . 50493 1 309 . 1 . 1 27 27 TYR CA C 13 59.079 0.000 . 1 . . . . . 27 TYR CA . 50493 1 310 . 1 . 1 27 27 TYR CB C 13 38.995 0.042 . 1 . . . . . 27 TYR CB . 50493 1 311 . 1 . 1 27 27 TYR CD1 C 13 133.074 0.000 . 1 . . . . . 27 TYR CD1 . 50493 1 312 . 1 . 1 27 27 TYR CD2 C 13 133.074 0.000 . 1 . . . . . 27 TYR CD2 . 50493 1 313 . 1 . 1 27 27 TYR CE1 C 13 117.968 0.000 . 1 . . . . . 27 TYR CE1 . 50493 1 314 . 1 . 1 27 27 TYR CE2 C 13 117.968 0.000 . 1 . . . . . 27 TYR CE2 . 50493 1 315 . 1 . 1 28 28 ORN H H 1 7.771 0.002 . 1 . . . . . 28 ORN H . 50493 1 316 . 1 . 1 28 28 ORN HA H 1 4.318 0.003 . 1 . . . . . 28 ORN HA . 50493 1 317 . 1 . 1 28 28 ORN HB2 H 1 1.674 0.004 . 2 . . . . . 28 ORN HB2 . 50493 1 318 . 1 . 1 28 28 ORN HB3 H 1 1.756 0.004 . 2 . . . . . 28 ORN HB3 . 50493 1 319 . 1 . 1 28 28 ORN HG2 H 1 1.623 0.004 . 2 . . . . . 28 ORN HG2 . 50493 1 320 . 1 . 1 28 28 ORN HG3 H 1 1.623 0.004 . 2 . . . . . 28 ORN HG3 . 50493 1 321 . 1 . 1 28 28 ORN HD2 H 1 2.965 0.003 . 2 . . . . . 28 ORN HD2 . 50493 1 322 . 1 . 1 28 28 ORN HD3 H 1 2.965 0.003 . 2 . . . . . 28 ORN HD3 . 50493 1 323 . 1 . 1 28 28 ORN HE1 H 1 7.598 0.003 . 2 . . . . . 28 ORN HE2 . 50493 1 324 . 1 . 1 28 28 ORN HE2 H 1 7.598 0.003 . 2 . . . . . 28 ORN HE3 . 50493 1 325 . 1 . 1 28 28 ORN CA C 13 55.164 0.000 . 1 . . . . . 28 ORN CA . 50493 1 326 . 1 . 1 28 28 ORN CB C 13 29.898 0.032 . 1 . . . . . 28 ORN CB . 50493 1 327 . 1 . 1 28 28 ORN CG C 13 26.046 0.082 . 1 . . . . . 28 ORN CG . 50493 1 328 . 1 . 1 29 29 TRP H H 1 8.134 0.005 . 1 . . . . . 29 TRP H . 50493 1 329 . 1 . 1 29 29 TRP HA H 1 4.540 0.003 . 1 . . . . . 29 TRP HA . 50493 1 330 . 1 . 1 29 29 TRP HB2 H 1 3.224 0.004 . 2 . . . . . 29 TRP HB2 . 50493 1 331 . 1 . 1 29 29 TRP HB3 H 1 3.323 0.002 . 2 . . . . . 29 TRP HB3 . 50493 1 332 . 1 . 1 29 29 TRP HD1 H 1 7.328 0.002 . 1 . . . . . 29 TRP HD1 . 50493 1 333 . 1 . 1 29 29 TRP HE1 H 1 10.560 0.001 . 1 . . . . . 29 TRP HE1 . 50493 1 334 . 1 . 1 29 29 TRP HE3 H 1 7.714 0.002 . 1 . . . . . 29 TRP HE3 . 50493 1 335 . 1 . 1 29 29 TRP HZ2 H 1 7.431 0.001 . 1 . . . . . 29 TRP HZ2 . 50493 1 336 . 1 . 1 29 29 TRP HZ3 H 1 7.058 0.002 . 1 . . . . . 29 TRP HZ3 . 50493 1 337 . 1 . 1 29 29 TRP HH2 H 1 7.069 0.004 . 1 . . . . . 29 TRP HH2 . 50493 1 338 . 1 . 1 29 29 TRP CA C 13 57.715 0.000 . 1 . . . . . 29 TRP CA . 50493 1 339 . 1 . 1 29 29 TRP CB C 13 29.986 0.013 . 1 . . . . . 29 TRP CB . 50493 1 340 . 1 . 1 29 29 TRP CD1 C 13 127.660 0.000 . 1 . . . . . 29 TRP CD1 . 50493 1 341 . 1 . 1 29 29 TRP CE3 C 13 121.219 0.000 . 1 . . . . . 29 TRP CE3 . 50493 1 342 . 1 . 1 29 29 TRP CZ2 C 13 114.632 0.000 . 1 . . . . . 29 TRP CZ2 . 50493 1 343 . 1 . 1 29 29 TRP CZ3 C 13 121.767 0.000 . 1 . . . . . 29 TRP CZ3 . 50493 1 344 . 1 . 1 29 29 TRP CH2 C 13 124.168 0.000 . 1 . . . . . 29 TRP CH2 . 50493 1 345 . 1 . 1 30 30 ORN H H 1 8.348 0.001 . 1 . . . . . 30 ORN H . 50493 1 346 . 1 . 1 30 30 ORN HA H 1 4.215 0.003 . 1 . . . . . 30 ORN HA . 50493 1 347 . 1 . 1 30 30 ORN HB2 H 1 1.659 0.005 . 2 . . . . . 30 ORN HB2 . 50493 1 348 . 1 . 1 30 30 ORN HB3 H 1 1.818 0.003 . 2 . . . . . 30 ORN HB3 . 50493 1 349 . 1 . 1 30 30 ORN HG2 H 1 1.604 0.003 . 2 . . . . . 30 ORN HG2 . 50493 1 350 . 1 . 1 30 30 ORN HG3 H 1 1.649 0.001 . 2 . . . . . 30 ORN HG3 . 50493 1 351 . 1 . 1 30 30 ORN HD2 H 1 2.950 0.002 . 2 . . . . . 30 ORN HD2 . 50493 1 352 . 1 . 1 30 30 ORN HD3 H 1 2.950 0.002 . 2 . . . . . 30 ORN HD3 . 50493 1 353 . 1 . 1 30 30 ORN HE1 H 1 7.645 0.006 . 2 . . . . . 30 ORN HE2 . 50493 1 354 . 1 . 1 30 30 ORN HE2 H 1 7.645 0.006 . 2 . . . . . 30 ORN HE3 . 50493 1 355 . 1 . 1 30 30 ORN CA C 13 55.744 0.068 . 1 . . . . . 30 ORN CA . 50493 1 356 . 1 . 1 30 30 ORN CB C 13 30.672 0.028 . 1 . . . . . 30 ORN CB . 50493 1 357 . 1 . 1 30 30 ORN CG C 13 26.059 0.085 . 1 . . . . . 30 ORN CG . 50493 1 358 . 1 . 1 30 30 ORN CD C 13 41.746 0.132 . 1 . . . . . 30 ORN CD . 50493 1 359 . 1 . 1 31 31 NH2 HN1 H 1 7.015 0.000 . 2 . . . . . 31 NH2 HN1 . 50493 1 360 . 1 . 1 31 31 NH2 HN2 H 1 7.090 0.003 . 2 . . . . . 31 NH2 HN2 . 50493 1 stop_ save_