################################### # 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 50492 _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' . . . 50492 1 3 '2D 1H-1H TOCSY' . . . 50492 1 4 '2D 1H-1H NOESY' . . . 50492 1 5 '2D 1H-13C HSQC aliphatic' . . . 50492 1 6 '2D 1H-13C HSQC aromatic' . . . 50492 1 8 '2D 1H-1H TOCSY' . . . 50492 1 9 '2D 1H-1H NOESY' . . . 50492 1 10 '2D 1H-13C HSQC aliphatic' . . . 50492 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 . . 50492 1 2 $software_2 . . 50492 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 ORD HA H 1 4.310 0.004 . 1 . . . . . 1 DORN HA . 50492 1 2 . 1 . 1 1 1 ORD HB2 H 1 1.916 0.003 . 2 . . . . . 1 DORN HB2 . 50492 1 3 . 1 . 1 1 1 ORD HB3 H 1 1.916 0.003 . 2 . . . . . 1 DORN HB3 . 50492 1 4 . 1 . 1 1 1 ORD HG2 H 1 1.714 0.002 . 2 . . . . . 1 DORN HG2 . 50492 1 5 . 1 . 1 1 1 ORD HG3 H 1 1.784 0.002 . 2 . . . . . 1 DORN HG3 . 50492 1 6 . 1 . 1 1 1 ORD HD2 H 1 2.982 0.000 . 2 . . . . . 1 DORN HD2 . 50492 1 7 . 1 . 1 1 1 ORD HD3 H 1 2.982 0.000 . 2 . . . . . 1 DORN HD3 . 50492 1 8 . 1 . 1 1 1 ORD CA C 13 53.678 0.052 . 1 . . . . . 1 DORN CA . 50492 1 9 . 1 . 1 1 1 ORD CB C 13 29.853 0.025 . 1 . . . . . 1 DORN CB . 50492 1 10 . 1 . 1 1 1 ORD CG C 13 24.456 0.045 . 1 . . . . . 1 DORN CG . 50492 1 11 . 1 . 1 2 2 DPR HA H 1 4.563 0.005 . 1 . . . . . 2 DPRO HA . 50492 1 12 . 1 . 1 2 2 DPR HB2 H 1 0.999 0.004 . 2 . . . . . 2 DPRO HB2 . 50492 1 13 . 1 . 1 2 2 DPR HB3 H 1 1.996 0.003 . 2 . . . . . 2 DPRO HB3 . 50492 1 14 . 1 . 1 2 2 DPR HG2 H 1 1.522 0.004 . 2 . . . . . 2 DPRO HG2 . 50492 1 15 . 1 . 1 2 2 DPR HG3 H 1 1.773 0.004 . 2 . . . . . 2 DPRO HG3 . 50492 1 16 . 1 . 1 2 2 DPR HD2 H 1 3.343 0.003 . 2 . . . . . 2 DPRO HD2 . 50492 1 17 . 1 . 1 2 2 DPR HD3 H 1 3.712 0.003 . 2 . . . . . 2 DPRO HD3 . 50492 1 18 . 1 . 1 2 2 DPR CA C 13 62.964 0.000 . 1 . . . . . 2 DPRO CA . 50492 1 19 . 1 . 1 2 2 DPR CB C 13 32.405 0.023 . 1 . . . . . 2 DPRO CB . 50492 1 20 . 1 . 1 2 2 DPR CG C 13 27.185 0.024 . 1 . . . . . 2 DPRO CG . 50492 1 21 . 1 . 1 2 2 DPR CD C 13 50.334 0.029 . 1 . . . . . 2 DPRO CD . 50492 1 22 . 1 . 1 3 3 PHE H H 1 8.657 0.003 . 1 . . . . . 3 PHE H . 50492 1 23 . 1 . 1 3 3 PHE HA H 1 5.171 0.004 . 1 . . . . . 3 PHE HA . 50492 1 24 . 1 . 1 3 3 PHE HB2 H 1 2.244 0.003 . 2 . . . . . 3 PHE HB2 . 50492 1 25 . 1 . 1 3 3 PHE HB3 H 1 3.236 0.005 . 2 . . . . . 3 PHE HB3 . 50492 1 26 . 1 . 1 3 3 PHE HD1 H 1 6.936 0.003 . 1 . . . . . 3 PHE HD1 . 50492 1 27 . 1 . 1 3 3 PHE HD2 H 1 6.936 0.003 . 1 . . . . . 3 PHE HD2 . 50492 1 28 . 1 . 1 3 3 PHE HE1 H 1 7.045 0.003 . 1 . . . . . 3 PHE HE1 . 50492 1 29 . 1 . 1 3 3 PHE HE2 H 1 7.045 0.003 . 1 . . . . . 3 PHE HE2 . 50492 1 30 . 1 . 1 3 3 PHE HZ H 1 6.985 0.003 . 1 . . . . . 3 PHE HZ . 50492 1 31 . 1 . 1 3 3 PHE CA C 13 56.128 0.000 . 1 . . . . . 3 PHE CA . 50492 1 32 . 1 . 1 3 3 PHE CB C 13 41.539 0.053 . 1 . . . . . 3 PHE CB . 50492 1 33 . 1 . 1 3 3 PHE CD1 C 13 132.112 0.000 . 1 . . . . . 3 PHE CD1 . 50492 1 34 . 1 . 1 3 3 PHE CD2 C 13 132.112 0.000 . 1 . . . . . 3 PHE CD2 . 50492 1 35 . 1 . 1 3 3 PHE CE1 C 13 130.398 0.000 . 1 . . . . . 3 PHE CE1 . 50492 1 36 . 1 . 1 3 3 PHE CE2 C 13 130.398 0.000 . 1 . . . . . 3 PHE CE2 . 50492 1 37 . 1 . 1 3 3 PHE CZ C 13 128.461 0.000 . 1 . . . . . 3 PHE CZ . 50492 1 38 . 1 . 1 4 4 THR H H 1 8.812 0.005 . 1 . . . . . 4 THR H . 50492 1 39 . 1 . 1 4 4 THR HA H 1 4.557 0.004 . 1 . . . . . 4 THR HA . 50492 1 40 . 1 . 1 4 4 THR HB H 1 4.796 0.000 . 1 . . . . . 4 THR HB . 50492 1 41 . 1 . 1 4 4 THR HG1 H 1 5.902 0.003 . 1 . . . . . 4 THR HG1 . 50492 1 42 . 1 . 1 4 4 THR HG21 H 1 1.352 0.001 . 1 . . . . . 4 THR QG2 . 50492 1 43 . 1 . 1 4 4 THR HG22 H 1 1.352 0.001 . 1 . . . . . 4 THR QG2 . 50492 1 44 . 1 . 1 4 4 THR HG23 H 1 1.352 0.001 . 1 . . . . . 4 THR QG2 . 50492 1 45 . 1 . 1 4 4 THR CA C 13 60.868 0.000 . 1 . . . . . 4 THR CA . 50492 1 46 . 1 . 1 4 4 THR CB C 13 71.111 0.000 . 1 . . . . . 4 THR CB . 50492 1 47 . 1 . 1 4 4 THR CG2 C 13 21.786 0.016 . 1 . . . . . 4 THR CG2 . 50492 1 48 . 1 . 1 5 5 ORN H H 1 9.071 0.001 . 1 . . . . . 5 ORN H . 50492 1 49 . 1 . 1 5 5 ORN HA H 1 4.223 0.003 . 1 . . . . . 5 ORN HA . 50492 1 50 . 1 . 1 5 5 ORN HB2 H 1 1.955 0.004 . 2 . . . . . 5 ORN HB2 . 50492 1 51 . 1 . 1 5 5 ORN HB3 H 1 2.024 0.004 . 2 . . . . . 5 ORN HB3 . 50492 1 52 . 1 . 1 5 5 ORN HG2 H 1 1.811 0.004 . 2 . . . . . 5 ORN HG2 . 50492 1 53 . 1 . 1 5 5 ORN HG3 H 1 1.953 0.001 . 2 . . . . . 5 ORN HG3 . 50492 1 54 . 1 . 1 5 5 ORN HD2 H 1 3.099 0.002 . 2 . . . . . 5 ORN HD2 . 50492 1 55 . 1 . 1 5 5 ORN HD3 H 1 3.099 0.002 . 2 . . . . . 5 ORN HD3 . 50492 1 56 . 1 . 1 5 5 ORN HE1 H 1 7.710 0.002 . 2 . . . . . 5 ORN HE2 . 50492 1 57 . 1 . 1 5 5 ORN HE2 H 1 7.710 0.002 . 2 . . . . . 5 ORN HE3 . 50492 1 58 . 1 . 1 5 5 ORN CA C 13 60.194 0.019 . 1 . . . . . 5 ORN CA . 50492 1 59 . 1 . 1 5 5 ORN CB C 13 29.763 0.026 . 1 . . . . . 5 ORN CB . 50492 1 60 . 1 . 1 5 5 ORN CG C 13 26.535 0.042 . 1 . . . . . 5 ORN CG . 50492 1 61 . 1 . 1 5 5 ORN CD C 13 41.794 0.115 . 1 . . . . . 5 ORN CD . 50492 1 62 . 1 . 1 6 6 ALA H H 1 8.566 0.001 . 1 . . . . . 6 ALA H . 50492 1 63 . 1 . 1 6 6 ALA HA H 1 4.290 0.004 . 1 . . . . . 6 ALA HA . 50492 1 64 . 1 . 1 6 6 ALA HB1 H 1 1.466 0.002 . 1 . . . . . 6 ALA HB# . 50492 1 65 . 1 . 1 6 6 ALA HB2 H 1 1.466 0.002 . 1 . . . . . 6 ALA HB# . 50492 1 66 . 1 . 1 6 6 ALA HB3 H 1 1.466 0.002 . 1 . . . . . 6 ALA HB# . 50492 1 67 . 1 . 1 6 6 ALA CA C 13 55.085 0.040 . 1 . . . . . 6 ALA CA . 50492 1 68 . 1 . 1 6 6 ALA CB C 13 18.546 0.021 . 1 . . . . . 6 ALA CB . 50492 1 69 . 1 . 1 7 7 GLN H H 1 7.920 0.001 . 1 . . . . . 7 GLN H . 50492 1 70 . 1 . 1 7 7 GLN HA H 1 4.037 0.002 . 1 . . . . . 7 GLN HA . 50492 1 71 . 1 . 1 7 7 GLN HB2 H 1 1.728 0.005 . 2 . . . . . 7 GLN HB2 . 50492 1 72 . 1 . 1 7 7 GLN HB3 H 1 1.728 0.005 . 2 . . . . . 7 GLN HB3 . 50492 1 73 . 1 . 1 7 7 GLN HG2 H 1 2.438 0.002 . 2 . . . . . 7 GLN HG2 . 50492 1 74 . 1 . 1 7 7 GLN HG3 H 1 2.597 0.004 . 2 . . . . . 7 GLN HG3 . 50492 1 75 . 1 . 1 7 7 GLN HE21 H 1 6.988 0.001 . 2 . . . . . 7 GLN HE21 . 50492 1 76 . 1 . 1 7 7 GLN HE22 H 1 7.764 0.001 . 2 . . . . . 7 GLN HE22 . 50492 1 77 . 1 . 1 7 7 GLN CA C 13 59.005 0.042 . 1 . . . . . 7 GLN CA . 50492 1 78 . 1 . 1 7 7 GLN CB C 13 28.424 0.025 . 1 . . . . . 7 GLN CB . 50492 1 79 . 1 . 1 7 7 GLN CG C 13 34.753 0.018 . 1 . . . . . 7 GLN CG . 50492 1 80 . 1 . 1 8 8 TRP H H 1 8.774 0.002 . 1 . . . . . 8 TRP H . 50492 1 81 . 1 . 1 8 8 TRP HA H 1 4.421 0.005 . 1 . . . . . 8 TRP HA . 50492 1 82 . 1 . 1 8 8 TRP HB2 H 1 3.285 0.005 . 2 . . . . . 8 TRP HB2 . 50492 1 83 . 1 . 1 8 8 TRP HB3 H 1 3.330 0.004 . 2 . . . . . 8 TRP HB3 . 50492 1 84 . 1 . 1 8 8 TRP HD1 H 1 7.116 0.001 . 1 . . . . . 8 TRP HD1 . 50492 1 85 . 1 . 1 8 8 TRP HE1 H 1 10.726 0.003 . 1 . . . . . 8 TRP HE1 . 50492 1 86 . 1 . 1 8 8 TRP HE3 H 1 7.327 0.002 . 1 . . . . . 8 TRP HE3 . 50492 1 87 . 1 . 1 8 8 TRP HZ2 H 1 7.624 0.003 . 1 . . . . . 8 TRP HZ2 . 50492 1 88 . 1 . 1 8 8 TRP HZ3 H 1 6.889 0.002 . 1 . . . . . 8 TRP HZ3 . 50492 1 89 . 1 . 1 8 8 TRP HH2 H 1 7.103 0.003 . 1 . . . . . 8 TRP HH2 . 50492 1 90 . 1 . 1 8 8 TRP CA C 13 60.132 0.000 . 1 . . . . . 8 TRP CA . 50492 1 91 . 1 . 1 8 8 TRP CB C 13 29.925 0.006 . 1 . . . . . 8 TRP CB . 50492 1 92 . 1 . 1 8 8 TRP CD1 C 13 127.846 0.000 . 1 . . . . . 8 TRP CD1 . 50492 1 93 . 1 . 1 8 8 TRP CE3 C 13 120.938 0.000 . 1 . . . . . 8 TRP CE3 . 50492 1 94 . 1 . 1 8 8 TRP CZ2 C 13 115.134 0.000 . 1 . . . . . 8 TRP CZ2 . 50492 1 95 . 1 . 1 8 8 TRP CZ3 C 13 121.325 0.000 . 1 . . . . . 8 TRP CZ3 . 50492 1 96 . 1 . 1 8 8 TRP CH2 C 13 123.868 0.000 . 1 . . . . . 8 TRP CH2 . 50492 1 97 . 1 . 1 9 9 PHE H H 1 8.355 0.003 . 1 . . . . . 9 PHE H . 50492 1 98 . 1 . 1 9 9 PHE HA H 1 4.311 0.006 . 1 . . . . . 9 PHE HA . 50492 1 99 . 1 . 1 9 9 PHE HB2 H 1 3.264 0.002 . 2 . . . . . 9 PHE HB2 . 50492 1 100 . 1 . 1 9 9 PHE HB3 H 1 3.264 0.002 . 2 . . . . . 9 PHE HB3 . 50492 1 101 . 1 . 1 9 9 PHE HD1 H 1 7.281 0.004 . 1 . . . . . 9 PHE HD1 . 50492 1 102 . 1 . 1 9 9 PHE HD2 H 1 7.281 0.004 . 1 . . . . . 9 PHE HD2 . 50492 1 103 . 1 . 1 9 9 PHE HE1 H 1 7.251 0.005 . 1 . . . . . 9 PHE HE1 . 50492 1 104 . 1 . 1 9 9 PHE HE2 H 1 7.251 0.005 . 1 . . . . . 9 PHE HE2 . 50492 1 105 . 1 . 1 9 9 PHE HZ H 1 7.114 0.002 . 1 . . . . . 9 PHE HZ . 50492 1 106 . 1 . 1 9 9 PHE CA C 13 61.374 0.001 . 1 . . . . . 9 PHE CA . 50492 1 107 . 1 . 1 9 9 PHE CB C 13 38.955 0.011 . 1 . . . . . 9 PHE CB . 50492 1 108 . 1 . 1 9 9 PHE CD1 C 13 132.068 0.000 . 1 . . . . . 9 PHE CD1 . 50492 1 109 . 1 . 1 9 9 PHE CD2 C 13 132.068 0.000 . 1 . . . . . 9 PHE CD2 . 50492 1 110 . 1 . 1 9 9 PHE CE1 C 13 131.493 0.000 . 1 . . . . . 9 PHE CE1 . 50492 1 111 . 1 . 1 9 9 PHE CE2 C 13 131.493 0.000 . 1 . . . . . 9 PHE CE2 . 50492 1 112 . 1 . 1 9 9 PHE CZ C 13 129.876 0.000 . 1 . . . . . 9 PHE CZ . 50492 1 113 . 1 . 1 10 10 ALA H H 1 7.835 0.005 . 1 . . . . . 10 ALA H . 50492 1 114 . 1 . 1 10 10 ALA HA H 1 4.129 0.003 . 1 . . . . . 10 ALA HA . 50492 1 115 . 1 . 1 10 10 ALA HB1 H 1 1.568 0.003 . 1 . . . . . 10 ALA HB# . 50492 1 116 . 1 . 1 10 10 ALA HB2 H 1 1.568 0.003 . 1 . . . . . 10 ALA HB# . 50492 1 117 . 1 . 1 10 10 ALA HB3 H 1 1.568 0.003 . 1 . . . . . 10 ALA HB# . 50492 1 118 . 1 . 1 10 10 ALA CA C 13 55.290 0.029 . 1 . . . . . 10 ALA CA . 50492 1 119 . 1 . 1 10 10 ALA CB C 13 18.353 0.020 . 1 . . . . . 10 ALA CB . 50492 1 120 . 1 . 1 11 11 ILE H H 1 8.061 0.003 . 1 . . . . . 11 ILE H . 50492 1 121 . 1 . 1 11 11 ILE HA H 1 3.540 0.002 . 1 . . . . . 11 ILE HA . 50492 1 122 . 1 . 1 11 11 ILE HB H 1 1.736 0.003 . 1 . . . . . 11 ILE HB . 50492 1 123 . 1 . 1 11 11 ILE HG12 H 1 0.773 0.002 . 2 . . . . . 11 ILE HG12 . 50492 1 124 . 1 . 1 11 11 ILE HG13 H 1 1.503 0.003 . 2 . . . . . 11 ILE HG13 . 50492 1 125 . 1 . 1 11 11 ILE HG21 H 1 0.678 0.002 . 1 . . . . . 11 ILE QG2 . 50492 1 126 . 1 . 1 11 11 ILE HG22 H 1 0.678 0.002 . 1 . . . . . 11 ILE QG2 . 50492 1 127 . 1 . 1 11 11 ILE HG23 H 1 0.678 0.002 . 1 . . . . . 11 ILE QG2 . 50492 1 128 . 1 . 1 11 11 ILE HD11 H 1 0.124 0.001 . 1 . . . . . 11 ILE QD1 . 50492 1 129 . 1 . 1 11 11 ILE HD12 H 1 0.124 0.001 . 1 . . . . . 11 ILE QD1 . 50492 1 130 . 1 . 1 11 11 ILE HD13 H 1 0.124 0.001 . 1 . . . . . 11 ILE QD1 . 50492 1 131 . 1 . 1 11 11 ILE CA C 13 64.754 0.021 . 1 . . . . . 11 ILE CA . 50492 1 132 . 1 . 1 11 11 ILE CB C 13 38.080 0.014 . 1 . . . . . 11 ILE CB . 50492 1 133 . 1 . 1 11 11 ILE CG1 C 13 29.708 0.048 . 1 . . . . . 11 ILE CG1 . 50492 1 134 . 1 . 1 11 11 ILE CG2 C 13 17.571 0.031 . 1 . . . . . 11 ILE CG2 . 50492 1 135 . 1 . 1 11 11 ILE CD1 C 13 13.184 0.039 . 1 . . . . . 11 ILE CD1 . 50492 1 136 . 1 . 1 12 12 GLN H H 1 7.785 0.002 . 1 . . . . . 12 GLN H . 50492 1 137 . 1 . 1 12 12 GLN HA H 1 3.797 0.002 . 1 . . . . . 12 GLN HA . 50492 1 138 . 1 . 1 12 12 GLN HB2 H 1 1.730 0.005 . 2 . . . . . 12 GLN HB2 . 50492 1 139 . 1 . 1 12 12 GLN HB3 H 1 1.852 0.005 . 2 . . . . . 12 GLN HB3 . 50492 1 140 . 1 . 1 12 12 GLN HG2 H 1 1.969 0.003 . 2 . . . . . 12 GLN HG2 . 50492 1 141 . 1 . 1 12 12 GLN HG3 H 1 2.115 0.004 . 2 . . . . . 12 GLN HG3 . 50492 1 142 . 1 . 1 12 12 GLN HE21 H 1 6.681 0.000 . 2 . . . . . 12 GLN HE21 . 50492 1 143 . 1 . 1 12 12 GLN HE22 H 1 6.986 0.000 . 2 . . . . . 12 GLN HE22 . 50492 1 144 . 1 . 1 12 12 GLN CA C 13 57.706 0.026 . 1 . . . . . 12 GLN CA . 50492 1 145 . 1 . 1 12 12 GLN CB C 13 29.238 0.025 . 1 . . . . . 12 GLN CB . 50492 1 146 . 1 . 1 12 12 GLN CG C 13 34.580 0.028 . 1 . . . . . 12 GLN CG . 50492 1 147 . 1 . 1 13 13 HIS H H 1 7.557 0.002 . 1 . . . . . 13 HIS H . 50492 1 148 . 1 . 1 13 13 HIS HA H 1 4.478 0.003 . 1 . . . . . 13 HIS HA . 50492 1 149 . 1 . 1 13 13 HIS HB2 H 1 2.796 0.005 . 2 . . . . . 13 HIS HB2 . 50492 1 150 . 1 . 1 13 13 HIS HB3 H 1 3.431 0.005 . 2 . . . . . 13 HIS HB3 . 50492 1 151 . 1 . 1 13 13 HIS HD2 H 1 7.093 0.001 . 1 . . . . . 13 HIS HD2 . 50492 1 152 . 1 . 1 13 13 HIS HE1 H 1 7.884 0.004 . 1 . . . . . 13 HIS HE1 . 50492 1 153 . 1 . 1 13 13 HIS CA C 13 56.389 0.000 . 1 . . . . . 13 HIS CA . 50492 1 154 . 1 . 1 13 13 HIS CB C 13 28.729 0.035 . 1 . . . . . 13 HIS CB . 50492 1 155 . 1 . 1 13 13 HIS CD2 C 13 119.711 0.000 . 1 . . . . . 13 HIS CD2 . 50492 1 156 . 1 . 1 13 13 HIS CE1 C 13 135.842 0.000 . 1 . . . . . 13 HIS CE1 . 50492 1 157 . 1 . 1 14 14 ILE H H 1 7.432 0.001 . 1 . . . . . 14 ILE H . 50492 1 158 . 1 . 1 14 14 ILE HA H 1 4.117 0.003 . 1 . . . . . 14 ILE HA . 50492 1 159 . 1 . 1 14 14 ILE HB H 1 1.910 0.003 . 1 . . . . . 14 ILE HB . 50492 1 160 . 1 . 1 14 14 ILE HG12 H 1 1.232 0.004 . 2 . . . . . 14 ILE HG12 . 50492 1 161 . 1 . 1 14 14 ILE HG13 H 1 1.637 0.006 . 2 . . . . . 14 ILE HG13 . 50492 1 162 . 1 . 1 14 14 ILE HG21 H 1 0.870 0.004 . 1 . . . . . 14 ILE QG2 . 50492 1 163 . 1 . 1 14 14 ILE HG22 H 1 0.870 0.004 . 1 . . . . . 14 ILE QG2 . 50492 1 164 . 1 . 1 14 14 ILE HG23 H 1 0.870 0.004 . 1 . . . . . 14 ILE QG2 . 50492 1 165 . 1 . 1 14 14 ILE HD11 H 1 0.821 0.004 . 1 . . . . . 14 ILE QD1 . 50492 1 166 . 1 . 1 14 14 ILE HD12 H 1 0.821 0.004 . 1 . . . . . 14 ILE QD1 . 50492 1 167 . 1 . 1 14 14 ILE HD13 H 1 0.821 0.004 . 1 . . . . . 14 ILE QD1 . 50492 1 168 . 1 . 1 14 14 ILE CA C 13 61.675 0.018 . 1 . . . . . 14 ILE CA . 50492 1 169 . 1 . 1 14 14 ILE CB C 13 39.084 0.020 . 1 . . . . . 14 ILE CB . 50492 1 170 . 1 . 1 14 14 ILE CG1 C 13 27.698 0.025 . 1 . . . . . 14 ILE CG1 . 50492 1 171 . 1 . 1 14 14 ILE CG2 C 13 17.761 0.029 . 1 . . . . . 14 ILE CG2 . 50492 1 172 . 1 . 1 14 14 ILE CD1 C 13 14.070 0.022 . 1 . . . . . 14 ILE CD1 . 50492 1 173 . 1 . 1 15 15 SER H H 1 8.370 0.002 . 1 . . . . . 15 SER H . 50492 1 174 . 1 . 1 15 15 SER HA H 1 4.961 0.004 . 1 . . . . . 15 SER HA . 50492 1 175 . 1 . 1 15 15 SER HB2 H 1 3.926 0.004 . 2 . . . . . 15 SER HB2 . 50492 1 176 . 1 . 1 15 15 SER HB3 H 1 3.985 0.004 . 2 . . . . . 15 SER HB3 . 50492 1 177 . 1 . 1 15 15 SER CA C 13 54.630 0.000 . 1 . . . . . 15 SER CA . 50492 1 178 . 1 . 1 15 15 SER CB C 13 63.415 0.040 . 1 . . . . . 15 SER CB . 50492 1 179 . 1 . 1 16 16 PRO HA H 1 4.152 0.006 . 1 . . . . . 16 PRO HA . 50492 1 180 . 1 . 1 16 16 PRO HB2 H 1 2.005 0.005 . 2 . . . . . 16 PRO HB2 . 50492 1 181 . 1 . 1 16 16 PRO HB3 H 1 2.174 0.006 . 2 . . . . . 16 PRO HB3 . 50492 1 182 . 1 . 1 16 16 PRO HG2 H 1 1.836 0.003 . 2 . . . . . 16 PRO HG2 . 50492 1 183 . 1 . 1 16 16 PRO HG3 H 1 2.159 0.003 . 2 . . . . . 16 PRO HG3 . 50492 1 184 . 1 . 1 16 16 PRO HD2 H 1 3.966 0.004 . 2 . . . . . 16 PRO HD2 . 50492 1 185 . 1 . 1 16 16 PRO HD3 H 1 4.120 0.005 . 2 . . . . . 16 PRO HD3 . 50492 1 186 . 1 . 1 16 16 PRO CA C 13 65.322 0.011 . 1 . . . . . 16 PRO CA . 50492 1 187 . 1 . 1 16 16 PRO CB C 13 32.446 0.024 . 1 . . . . . 16 PRO CB . 50492 1 188 . 1 . 1 16 16 PRO CG C 13 27.942 0.023 . 1 . . . . . 16 PRO CG . 50492 1 189 . 1 . 1 16 16 PRO CD C 13 50.797 0.015 . 1 . . . . . 16 PRO CD . 50492 1 190 . 1 . 1 17 17 ORN H H 1 8.685 0.002 . 1 . . . . . 17 ORN H . 50492 1 191 . 1 . 1 17 17 ORN HA H 1 3.955 0.002 . 1 . . . . . 17 ORN HA . 50492 1 192 . 1 . 1 17 17 ORN HB2 H 1 1.914 0.004 . 2 . . . . . 17 ORN HB2 . 50492 1 193 . 1 . 1 17 17 ORN HB3 H 1 1.914 0.004 . 2 . . . . . 17 ORN HB3 . 50492 1 194 . 1 . 1 17 17 ORN HG2 H 1 1.700 0.006 . 2 . . . . . 17 ORN HG2 . 50492 1 195 . 1 . 1 17 17 ORN HG3 H 1 1.779 0.004 . 2 . . . . . 17 ORN HG3 . 50492 1 196 . 1 . 1 17 17 ORN HD2 H 1 3.015 0.004 . 2 . . . . . 17 ORN HD2 . 50492 1 197 . 1 . 1 17 17 ORN HD3 H 1 3.015 0.004 . 2 . . . . . 17 ORN HD3 . 50492 1 198 . 1 . 1 17 17 ORN HE1 H 1 7.892 0.000 . 2 . . . . . 17 ORN HE2 . 50492 1 199 . 1 . 1 17 17 ORN HE2 H 1 7.892 0.000 . 2 . . . . . 17 ORN HE3 . 50492 1 200 . 1 . 1 17 17 ORN CA C 13 59.804 0.034 . 1 . . . . . 17 ORN CA . 50492 1 201 . 1 . 1 17 17 ORN CB C 13 30.184 0.025 . 1 . . . . . 17 ORN CB . 50492 1 202 . 1 . 1 17 17 ORN CG C 13 26.535 0.052 . 1 . . . . . 17 ORN CG . 50492 1 203 . 1 . 1 17 17 ORN CD C 13 41.750 0.105 . 1 . . . . . 17 ORN CD . 50492 1 204 . 1 . 1 18 18 THR H H 1 7.672 0.001 . 1 . . . . . 18 THR H . 50492 1 205 . 1 . 1 18 18 THR HA H 1 4.025 0.006 . 1 . . . . . 18 THR HA . 50492 1 206 . 1 . 1 18 18 THR HB H 1 4.327 0.003 . 1 . . . . . 18 THR HB . 50492 1 207 . 1 . 1 18 18 THR HG21 H 1 1.272 0.001 . 1 . . . . . 18 THR QG2 . 50492 1 208 . 1 . 1 18 18 THR HG22 H 1 1.272 0.001 . 1 . . . . . 18 THR QG2 . 50492 1 209 . 1 . 1 18 18 THR HG23 H 1 1.272 0.001 . 1 . . . . . 18 THR QG2 . 50492 1 210 . 1 . 1 18 18 THR CA C 13 65.687 0.076 . 1 . . . . . 18 THR CA . 50492 1 211 . 1 . 1 18 18 THR CB C 13 68.749 0.000 . 1 . . . . . 18 THR CB . 50492 1 212 . 1 . 1 18 18 THR CG2 C 13 22.131 0.017 . 1 . . . . . 18 THR CG2 . 50492 1 213 . 1 . 1 19 19 ILE H H 1 7.763 0.003 . 1 . . . . . 19 ILE H . 50492 1 214 . 1 . 1 19 19 ILE HA H 1 3.791 0.002 . 1 . . . . . 19 ILE HA . 50492 1 215 . 1 . 1 19 19 ILE HB H 1 1.911 0.003 . 1 . . . . . 19 ILE HB . 50492 1 216 . 1 . 1 19 19 ILE HG12 H 1 1.242 0.007 . 2 . . . . . 19 ILE HG12 . 50492 1 217 . 1 . 1 19 19 ILE HG13 H 1 1.658 0.003 . 2 . . . . . 19 ILE HG13 . 50492 1 218 . 1 . 1 19 19 ILE HG21 H 1 0.922 0.002 . 1 . . . . . 19 ILE QG2 . 50492 1 219 . 1 . 1 19 19 ILE HG22 H 1 0.922 0.002 . 1 . . . . . 19 ILE QG2 . 50492 1 220 . 1 . 1 19 19 ILE HG23 H 1 0.922 0.002 . 1 . . . . . 19 ILE QG2 . 50492 1 221 . 1 . 1 19 19 ILE HD11 H 1 0.845 0.005 . 1 . . . . . 19 ILE QD1 . 50492 1 222 . 1 . 1 19 19 ILE HD12 H 1 0.845 0.005 . 1 . . . . . 19 ILE QD1 . 50492 1 223 . 1 . 1 19 19 ILE HD13 H 1 0.845 0.005 . 1 . . . . . 19 ILE QD1 . 50492 1 224 . 1 . 1 19 19 ILE CA C 13 64.167 0.032 . 1 . . . . . 19 ILE CA . 50492 1 225 . 1 . 1 19 19 ILE CB C 13 37.959 0.006 . 1 . . . . . 19 ILE CB . 50492 1 226 . 1 . 1 19 19 ILE CG1 C 13 28.459 0.026 . 1 . . . . . 19 ILE CG1 . 50492 1 227 . 1 . 1 19 19 ILE CG2 C 13 17.746 0.032 . 1 . . . . . 19 ILE CG2 . 50492 1 228 . 1 . 1 19 19 ILE CD1 C 13 13.380 0.033 . 1 . . . . . 19 ILE CD1 . 50492 1 229 . 1 . 1 20 20 ALA H H 1 8.265 0.001 . 1 . . . . . 20 ALA H . 50492 1 230 . 1 . 1 20 20 ALA HA H 1 4.048 0.005 . 1 . . . . . 20 ALA HA . 50492 1 231 . 1 . 1 20 20 ALA HB1 H 1 1.445 0.005 . 1 . . . . . 20 ALA HB# . 50492 1 232 . 1 . 1 20 20 ALA HB2 H 1 1.445 0.005 . 1 . . . . . 20 ALA HB# . 50492 1 233 . 1 . 1 20 20 ALA HB3 H 1 1.445 0.005 . 1 . . . . . 20 ALA HB# . 50492 1 234 . 1 . 1 20 20 ALA CA C 13 55.064 0.001 . 1 . . . . . 20 ALA CA . 50492 1 235 . 1 . 1 20 20 ALA CB C 13 18.745 0.021 . 1 . . . . . 20 ALA CB . 50492 1 236 . 1 . 1 21 21 MET H H 1 8.146 0.002 . 1 . . . . . 21 MET H . 50492 1 237 . 1 . 1 21 21 MET HA H 1 4.305 0.003 . 1 . . . . . 21 MET HA . 50492 1 238 . 1 . 1 21 21 MET HB2 H 1 2.140 0.007 . 2 . . . . . 21 MET HB2 . 50492 1 239 . 1 . 1 21 21 MET HB3 H 1 2.179 0.004 . 2 . . . . . 21 MET HB3 . 50492 1 240 . 1 . 1 21 21 MET HG2 H 1 2.666 0.004 . 2 . . . . . 21 MET HG2 . 50492 1 241 . 1 . 1 21 21 MET HG3 H 1 2.773 0.003 . 2 . . . . . 21 MET HG3 . 50492 1 242 . 1 . 1 21 21 MET HE1 H 1 2.086 0.001 . 1 . . . . . 21 MET HE# . 50492 1 243 . 1 . 1 21 21 MET HE2 H 1 2.086 0.001 . 1 . . . . . 21 MET HE# . 50492 1 244 . 1 . 1 21 21 MET HE3 H 1 2.086 0.001 . 1 . . . . . 21 MET HE# . 50492 1 245 . 1 . 1 21 21 MET CA C 13 57.602 0.075 . 1 . . . . . 21 MET CA . 50492 1 246 . 1 . 1 21 21 MET CB C 13 31.736 0.010 . 1 . . . . . 21 MET CB . 50492 1 247 . 1 . 1 21 21 MET CG C 13 32.289 0.027 . 1 . . . . . 21 MET CG . 50492 1 248 . 1 . 1 21 21 MET CE C 13 16.794 0.015 . 1 . . . . . 21 MET CE . 50492 1 249 . 1 . 1 22 22 ORN H H 1 8.003 0.003 . 1 . . . . . 22 ORN H . 50492 1 250 . 1 . 1 22 22 ORN HA H 1 4.128 0.002 . 1 . . . . . 22 ORN HA . 50492 1 251 . 1 . 1 22 22 ORN HB2 H 1 1.980 0.004 . 2 . . . . . 22 ORN HB2 . 50492 1 252 . 1 . 1 22 22 ORN HB3 H 1 1.980 0.004 . 2 . . . . . 22 ORN HB3 . 50492 1 253 . 1 . 1 22 22 ORN HG2 H 1 1.787 0.008 . 2 . . . . . 22 ORN HG2 . 50492 1 254 . 1 . 1 22 22 ORN HG3 H 1 1.884 0.002 . 2 . . . . . 22 ORN HG3 . 50492 1 255 . 1 . 1 22 22 ORN HD2 H 1 2.988 0.002 . 2 . . . . . 22 ORN HD2 . 50492 1 256 . 1 . 1 22 22 ORN HD3 H 1 2.988 0.002 . 2 . . . . . 22 ORN HD3 . 50492 1 257 . 1 . 1 22 22 ORN HE1 H 1 7.793 0.001 . 2 . . . . . 22 ORN HE2 . 50492 1 258 . 1 . 1 22 22 ORN HE2 H 1 7.793 0.001 . 2 . . . . . 22 ORN HE3 . 50492 1 259 . 1 . 1 22 22 ORN CA C 13 58.748 0.007 . 1 . . . . . 22 ORN CA . 50492 1 260 . 1 . 1 22 22 ORN CB C 13 29.786 0.025 . 1 . . . . . 22 ORN CB . 50492 1 261 . 1 . 1 22 22 ORN CG C 13 26.549 0.039 . 1 . . . . . 22 ORN CG . 50492 1 262 . 1 . 1 22 22 ORN CD C 13 41.712 0.105 . 1 . . . . . 22 ORN CD . 50492 1 263 . 1 . 1 23 23 ALA H H 1 8.034 0.004 . 1 . . . . . 23 ALA H . 50492 1 264 . 1 . 1 23 23 ALA HA H 1 4.191 0.002 . 1 . . . . . 23 ALA HA . 50492 1 265 . 1 . 1 23 23 ALA HB1 H 1 1.541 0.004 . 1 . . . . . 23 ALA HB# . 50492 1 266 . 1 . 1 23 23 ALA HB2 H 1 1.541 0.004 . 1 . . . . . 23 ALA HB# . 50492 1 267 . 1 . 1 23 23 ALA HB3 H 1 1.541 0.004 . 1 . . . . . 23 ALA HB# . 50492 1 268 . 1 . 1 23 23 ALA CA C 13 55.106 0.038 . 1 . . . . . 23 ALA CA . 50492 1 269 . 1 . 1 23 23 ALA CB C 13 18.682 0.011 . 1 . . . . . 23 ALA CB . 50492 1 270 . 1 . 1 24 24 ILE H H 1 8.156 0.001 . 1 . . . . . 24 ILE H . 50492 1 271 . 1 . 1 24 24 ILE HA H 1 3.888 0.003 . 1 . . . . . 24 ILE HA . 50492 1 272 . 1 . 1 24 24 ILE HB H 1 2.013 0.004 . 1 . . . . . 24 ILE HB . 50492 1 273 . 1 . 1 24 24 ILE HG12 H 1 1.198 0.007 . 2 . . . . . 24 ILE HG12 . 50492 1 274 . 1 . 1 24 24 ILE HG13 H 1 1.795 0.006 . 2 . . . . . 24 ILE HG13 . 50492 1 275 . 1 . 1 24 24 ILE HG21 H 1 0.987 0.001 . 1 . . . . . 24 ILE QG2 . 50492 1 276 . 1 . 1 24 24 ILE HG22 H 1 0.987 0.001 . 1 . . . . . 24 ILE QG2 . 50492 1 277 . 1 . 1 24 24 ILE HG23 H 1 0.987 0.001 . 1 . . . . . 24 ILE QG2 . 50492 1 278 . 1 . 1 24 24 ILE HD11 H 1 0.885 0.003 . 1 . . . . . 24 ILE QD1 . 50492 1 279 . 1 . 1 24 24 ILE HD12 H 1 0.885 0.003 . 1 . . . . . 24 ILE QD1 . 50492 1 280 . 1 . 1 24 24 ILE HD13 H 1 0.885 0.003 . 1 . . . . . 24 ILE QD1 . 50492 1 281 . 1 . 1 24 24 ILE CA C 13 64.446 0.041 . 1 . . . . . 24 ILE CA . 50492 1 282 . 1 . 1 24 24 ILE CB C 13 38.495 0.005 . 1 . . . . . 24 ILE CB . 50492 1 283 . 1 . 1 24 24 ILE CG1 C 13 29.409 0.021 . 1 . . . . . 24 ILE CG1 . 50492 1 284 . 1 . 1 24 24 ILE CG2 C 13 17.716 0.027 . 1 . . . . . 24 ILE CG2 . 50492 1 285 . 1 . 1 24 24 ILE CD1 C 13 13.920 0.028 . 1 . . . . . 24 ILE CD1 . 50492 1 286 . 1 . 1 25 25 ASN H H 1 8.090 0.001 . 1 . . . . . 25 ASN H . 50492 1 287 . 1 . 1 25 25 ASN HA H 1 4.603 0.005 . 1 . . . . . 25 ASN HA . 50492 1 288 . 1 . 1 25 25 ASN HB2 H 1 2.814 0.003 . 2 . . . . . 25 ASN HB2 . 50492 1 289 . 1 . 1 25 25 ASN HB3 H 1 2.859 0.005 . 2 . . . . . 25 ASN HB3 . 50492 1 290 . 1 . 1 25 25 ASN HD21 H 1 6.889 0.000 . 2 . . . . . 25 ASN HD21 . 50492 1 291 . 1 . 1 25 25 ASN HD22 H 1 7.558 0.001 . 2 . . . . . 25 ASN HD22 . 50492 1 292 . 1 . 1 25 25 ASN CA C 13 55.324 0.000 . 1 . . . . . 25 ASN CA . 50492 1 293 . 1 . 1 25 25 ASN CB C 13 38.920 0.019 . 1 . . . . . 25 ASN CB . 50492 1 294 . 1 . 1 26 26 ASN H H 1 7.995 0.003 . 1 . . . . . 26 ASN H . 50492 1 295 . 1 . 1 26 26 ASN HA H 1 4.659 0.007 . 1 . . . . . 26 ASN HA . 50492 1 296 . 1 . 1 26 26 ASN HB2 H 1 2.716 0.006 . 2 . . . . . 26 ASN HB2 . 50492 1 297 . 1 . 1 26 26 ASN HB3 H 1 2.753 0.005 . 2 . . . . . 26 ASN HB3 . 50492 1 298 . 1 . 1 26 26 ASN HD21 H 1 7.027 0.002 . 2 . . . . . 26 ASN HD21 . 50492 1 299 . 1 . 1 26 26 ASN HD22 H 1 7.531 0.003 . 2 . . . . . 26 ASN HD22 . 50492 1 300 . 1 . 1 26 26 ASN CA C 13 54.263 0.000 . 1 . . . . . 26 ASN CA . 50492 1 301 . 1 . 1 26 26 ASN CB C 13 39.538 0.028 . 1 . . . . . 26 ASN CB . 50492 1 302 . 1 . 1 27 27 TYR H H 1 7.816 0.001 . 1 . . . . . 27 TYR H . 50492 1 303 . 1 . 1 27 27 TYR HA H 1 4.355 0.006 . 1 . . . . . 27 TYR HA . 50492 1 304 . 1 . 1 27 27 TYR HB2 H 1 2.865 0.003 . 2 . . . . . 27 TYR HB2 . 50492 1 305 . 1 . 1 27 27 TYR HB3 H 1 2.865 0.003 . 2 . . . . . 27 TYR HB3 . 50492 1 306 . 1 . 1 27 27 TYR HD1 H 1 6.880 0.002 . 1 . . . . . 27 TYR HD1 . 50492 1 307 . 1 . 1 27 27 TYR HD2 H 1 6.880 0.002 . 1 . . . . . 27 TYR HD2 . 50492 1 308 . 1 . 1 27 27 TYR HE1 H 1 6.680 0.001 . 1 . . . . . 27 TYR HE1 . 50492 1 309 . 1 . 1 27 27 TYR HE2 H 1 6.680 0.001 . 1 . . . . . 27 TYR HE2 . 50492 1 310 . 1 . 1 27 27 TYR CA C 13 59.159 0.073 . 1 . . . . . 27 TYR CA . 50492 1 311 . 1 . 1 27 27 TYR CB C 13 39.094 0.025 . 1 . . . . . 27 TYR CB . 50492 1 312 . 1 . 1 27 27 TYR CD1 C 13 133.012 0.000 . 1 . . . . . 27 TYR CD1 . 50492 1 313 . 1 . 1 27 27 TYR CD2 C 13 133.012 0.000 . 1 . . . . . 27 TYR CD2 . 50492 1 314 . 1 . 1 27 27 TYR CE1 C 13 117.937 0.000 . 1 . . . . . 27 TYR CE1 . 50492 1 315 . 1 . 1 27 27 TYR CE2 C 13 117.937 0.000 . 1 . . . . . 27 TYR CE2 . 50492 1 316 . 1 . 1 28 28 ORN H H 1 7.770 0.002 . 1 . . . . . 28 ORN H . 50492 1 317 . 1 . 1 28 28 ORN HA H 1 4.316 0.002 . 1 . . . . . 28 ORN HA . 50492 1 318 . 1 . 1 28 28 ORN HB2 H 1 1.675 0.008 . 2 . . . . . 28 ORN HB2 . 50492 1 319 . 1 . 1 28 28 ORN HB3 H 1 1.765 0.004 . 2 . . . . . 28 ORN HB3 . 50492 1 320 . 1 . 1 28 28 ORN HG2 H 1 1.617 0.000 . 2 . . . . . 28 ORN HG2 . 50492 1 321 . 1 . 1 28 28 ORN HD2 H 1 2.964 0.004 . 2 . . . . . 28 ORN HD2 . 50492 1 322 . 1 . 1 28 28 ORN HD3 H 1 2.964 0.004 . 2 . . . . . 28 ORN HD3 . 50492 1 323 . 1 . 1 28 28 ORN HE1 H 1 7.604 0.000 . 2 . . . . . 28 ORN HE2 . 50492 1 324 . 1 . 1 28 28 ORN HE2 H 1 7.604 0.000 . 2 . . . . . 28 ORN HE3 . 50492 1 325 . 1 . 1 28 28 ORN CA C 13 55.227 0.044 . 1 . . . . . 28 ORN CA . 50492 1 326 . 1 . 1 28 28 ORN CB C 13 29.890 0.018 . 1 . . . . . 28 ORN CB . 50492 1 327 . 1 . 1 29 29 TRP H H 1 8.126 0.001 . 1 . . . . . 29 TRP H . 50492 1 328 . 1 . 1 29 29 TRP HA H 1 4.541 0.004 . 1 . . . . . 29 TRP HA . 50492 1 329 . 1 . 1 29 29 TRP HB2 H 1 3.227 0.004 . 2 . . . . . 29 TRP HB2 . 50492 1 330 . 1 . 1 29 29 TRP HB3 H 1 3.325 0.006 . 2 . . . . . 29 TRP HB3 . 50492 1 331 . 1 . 1 29 29 TRP HD1 H 1 7.330 0.001 . 1 . . . . . 29 TRP HD1 . 50492 1 332 . 1 . 1 29 29 TRP HE1 H 1 10.556 0.002 . 1 . . . . . 29 TRP HE1 . 50492 1 333 . 1 . 1 29 29 TRP HE3 H 1 7.712 0.002 . 1 . . . . . 29 TRP HE3 . 50492 1 334 . 1 . 1 29 29 TRP HZ2 H 1 7.431 0.003 . 1 . . . . . 29 TRP HZ2 . 50492 1 335 . 1 . 1 29 29 TRP HZ3 H 1 7.063 0.003 . 1 . . . . . 29 TRP HZ3 . 50492 1 336 . 1 . 1 29 29 TRP HH2 H 1 7.072 0.004 . 1 . . . . . 29 TRP HH2 . 50492 1 337 . 1 . 1 29 29 TRP CA C 13 57.748 0.000 . 1 . . . . . 29 TRP CA . 50492 1 338 . 1 . 1 29 29 TRP CB C 13 29.944 0.003 . 1 . . . . . 29 TRP CB . 50492 1 339 . 1 . 1 29 29 TRP CD1 C 13 127.619 0.000 . 1 . . . . . 29 TRP CD1 . 50492 1 340 . 1 . 1 29 29 TRP CE3 C 13 121.164 0.000 . 1 . . . . . 29 TRP CE3 . 50492 1 341 . 1 . 1 29 29 TRP CZ2 C 13 114.583 0.000 . 1 . . . . . 29 TRP CZ2 . 50492 1 342 . 1 . 1 29 29 TRP CZ3 C 13 121.732 0.000 . 1 . . . . . 29 TRP CZ3 . 50492 1 343 . 1 . 1 29 29 TRP CH2 C 13 124.136 0.000 . 1 . . . . . 29 TRP CH2 . 50492 1 344 . 1 . 1 30 30 ORN H H 1 8.343 0.001 . 1 . . . . . 30 ORN H . 50492 1 345 . 1 . 1 30 30 ORN HA H 1 4.221 0.002 . 1 . . . . . 30 ORN HA . 50492 1 346 . 1 . 1 30 30 ORN HB2 H 1 1.659 0.004 . 2 . . . . . 30 ORN HB2 . 50492 1 347 . 1 . 1 30 30 ORN HB3 H 1 1.820 0.003 . 2 . . . . . 30 ORN HB3 . 50492 1 348 . 1 . 1 30 30 ORN HG2 H 1 1.611 0.005 . 2 . . . . . 30 ORN HG2 . 50492 1 349 . 1 . 1 30 30 ORN HG3 H 1 1.644 0.005 . 2 . . . . . 30 ORN HG3 . 50492 1 350 . 1 . 1 30 30 ORN HD2 H 1 2.954 0.002 . 2 . . . . . 30 ORN HD2 . 50492 1 351 . 1 . 1 30 30 ORN HD3 H 1 2.954 0.002 . 2 . . . . . 30 ORN HD3 . 50492 1 352 . 1 . 1 30 30 ORN HE1 H 1 7.640 0.000 . 2 . . . . . 30 ORN HE2 . 50492 1 353 . 1 . 1 30 30 ORN HE2 H 1 7.640 0.000 . 2 . . . . . 30 ORN HE3 . 50492 1 354 . 1 . 1 30 30 ORN CA C 13 55.722 0.048 . 1 . . . . . 30 ORN CA . 50492 1 355 . 1 . 1 30 30 ORN CB C 13 30.664 0.009 . 1 . . . . . 30 ORN CB . 50492 1 356 . 1 . 1 30 30 ORN CG C 13 26.029 0.046 . 1 . . . . . 30 ORN CG . 50492 1 357 . 1 . 1 30 30 ORN CD C 13 41.726 0.110 . 1 . . . . . 30 ORN CD . 50492 1 358 . 1 . 1 31 31 NH2 HN1 H 1 7.023 0.005 . 2 . . . . . 31 NH2 HN1 . 50492 1 359 . 1 . 1 31 31 NH2 HN2 H 1 7.090 0.006 . 2 . . . . . 31 NH2 HN2 . 50492 1 stop_ save_