################################### # 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 50488 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name opOrn-hECP30_5HD _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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' . . . 50488 1 3 '2D 1H-1H TOCSY' . . . 50488 1 4 '2D 1H-1H NOESY' . . . 50488 1 5 '2D 1H-13C HSQC aliphatic' . . . 50488 1 6 '2D 1H-13C HSQC aromatic' . . . 50488 1 8 '2D 1H-1H TOCSY' . . . 50488 1 10 '2D 1H-13C HSQC aliphatic' . . . 50488 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 . . 50488 1 2 $software_2 . . 50488 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 4.374 0.002 . 1 . . . . . 1 DORN HA . 50488 1 2 . 1 . 1 1 1 ORD HB2 H 1 1.913 0.001 . 2 . . . . . 1 DORN HB2 . 50488 1 3 . 1 . 1 1 1 ORD HB3 H 1 1.913 0.001 . 2 . . . . . 1 DORN HB3 . 50488 1 4 . 1 . 1 1 1 ORD HG2 H 1 1.716 0.000 . 2 . . . . . 1 DORN HG2 . 50488 1 5 . 1 . 1 1 1 ORD HG3 H 1 1.764 0.000 . 2 . . . . . 1 DORN HG3 . 50488 1 6 . 1 . 1 1 1 ORD CA C 13 53.938 0.064 . 1 . . . . . 1 DORN CA . 50488 1 7 . 1 . 1 1 1 ORD CB C 13 29.568 0.000 . 1 . . . . . 1 DORN CB . 50488 1 8 . 1 . 1 1 1 ORD CG C 13 24.686 0.010 . 1 . . . . . 1 DORN CG . 50488 1 9 . 1 . 1 2 2 DPR HA H 1 4.379 0.003 . 1 . . . . . 2 DPRO HA . 50488 1 10 . 1 . 1 2 2 DPR HB2 H 1 1.145 0.003 . 2 . . . . . 2 DPRO HB2 . 50488 1 11 . 1 . 1 2 2 DPR HB3 H 1 2.032 0.003 . 2 . . . . . 2 DPRO HB3 . 50488 1 12 . 1 . 1 2 2 DPR HG2 H 1 1.724 0.003 . 2 . . . . . 2 DPRO HG2 . 50488 1 13 . 1 . 1 2 2 DPR HG3 H 1 1.823 0.003 . 2 . . . . . 2 DPRO HG3 . 50488 1 14 . 1 . 1 2 2 DPR HD2 H 1 3.417 0.004 . 2 . . . . . 2 DPRO HD2 . 50488 1 15 . 1 . 1 2 2 DPR HD3 H 1 3.668 0.003 . 2 . . . . . 2 DPRO HD3 . 50488 1 16 . 1 . 1 2 2 DPR CA C 13 63.320 0.020 . 1 . . . . . 2 DPRO CA . 50488 1 17 . 1 . 1 2 2 DPR CB C 13 32.342 0.000 . 1 . . . . . 2 DPRO CB . 50488 1 18 . 1 . 1 2 2 DPR CG C 13 27.375 0.001 . 1 . . . . . 2 DPRO CG . 50488 1 19 . 1 . 1 2 2 DPR CD C 13 50.669 0.001 . 1 . . . . . 2 DPRO CD . 50488 1 20 . 1 . 1 3 3 PHE H H 1 8.711 0.003 . 1 . . . . . 3 PHE H . 50488 1 21 . 1 . 1 3 3 PHE HA H 1 5.050 0.000 . 1 . . . . . 3 PHE HA . 50488 1 22 . 1 . 1 3 3 PHE HB2 H 1 2.596 0.003 . 2 . . . . . 3 PHE HB2 . 50488 1 23 . 1 . 1 3 3 PHE HB3 H 1 3.280 0.003 . 2 . . . . . 3 PHE HB3 . 50488 1 24 . 1 . 1 3 3 PHE HD1 H 1 7.093 0.003 . 1 . . . . . 3 PHE HD1 . 50488 1 25 . 1 . 1 3 3 PHE HD2 H 1 7.093 0.003 . 1 . . . . . 3 PHE HD2 . 50488 1 26 . 1 . 1 3 3 PHE HE1 H 1 7.297 0.007 . 1 . . . . . 3 PHE HE1 . 50488 1 27 . 1 . 1 3 3 PHE HE2 H 1 7.297 0.007 . 1 . . . . . 3 PHE HE2 . 50488 1 28 . 1 . 1 3 3 PHE HZ H 1 7.264 0.000 . 1 . . . . . 3 PHE HZ . 50488 1 29 . 1 . 1 3 3 PHE CA C 13 56.565 0.000 . 1 . . . . . 3 PHE CA . 50488 1 30 . 1 . 1 3 3 PHE CB C 13 41.383 0.012 . 1 . . . . . 3 PHE CB . 50488 1 31 . 1 . 1 3 3 PHE CD1 C 13 131.921 0.000 . 1 . . . . . 3 PHE CD1 . 50488 1 32 . 1 . 1 3 3 PHE CD2 C 13 131.921 0.000 . 1 . . . . . 3 PHE CD2 . 50488 1 33 . 1 . 1 3 3 PHE CE1 C 13 131.458 0.000 . 1 . . . . . 3 PHE CE1 . 50488 1 34 . 1 . 1 3 3 PHE CE2 C 13 131.458 0.000 . 1 . . . . . 3 PHE CE2 . 50488 1 35 . 1 . 1 3 3 PHE CZ C 13 129.871 0.000 . 1 . . . . . 3 PHE CZ . 50488 1 36 . 1 . 1 4 4 THR H H 1 8.714 0.001 . 1 . . . . . 4 THR H . 50488 1 37 . 1 . 1 4 4 THR HA H 1 4.442 0.004 . 1 . . . . . 4 THR HA . 50488 1 38 . 1 . 1 4 4 THR HB H 1 4.494 0.004 . 1 . . . . . 4 THR HB . 50488 1 39 . 1 . 1 4 4 THR HG21 H 1 1.304 0.002 . 1 . . . . . 4 THR QG2 . 50488 1 40 . 1 . 1 4 4 THR HG22 H 1 1.304 0.002 . 1 . . . . . 4 THR QG2 . 50488 1 41 . 1 . 1 4 4 THR HG23 H 1 1.304 0.002 . 1 . . . . . 4 THR QG2 . 50488 1 42 . 1 . 1 4 4 THR CA C 13 61.627 0.021 . 1 . . . . . 4 THR CA . 50488 1 43 . 1 . 1 4 4 THR CB C 13 70.590 0.030 . 1 . . . . . 4 THR CB . 50488 1 44 . 1 . 1 4 4 THR CG2 C 13 21.747 0.000 . 1 . . . . . 4 THR CG2 . 50488 1 45 . 1 . 1 5 5 ORN H H 1 8.923 0.002 . 1 . . . . . 5 ORN H . 50488 1 46 . 1 . 1 5 5 ORN HA H 1 4.285 0.003 . 1 . . . . . 5 ORN HA . 50488 1 47 . 1 . 1 5 5 ORN HB2 H 1 1.902 0.002 . 2 . . . . . 5 ORN HB2 . 50488 1 48 . 1 . 1 5 5 ORN HB3 H 1 1.902 0.002 . 2 . . . . . 5 ORN HB3 . 50488 1 49 . 1 . 1 5 5 ORN HG2 H 1 1.772 0.000 . 2 . . . . . 5 ORN HG2 . 50488 1 50 . 1 . 1 5 5 ORN HG3 H 1 1.856 0.000 . 2 . . . . . 5 ORN HG3 . 50488 1 51 . 1 . 1 5 5 ORN HD2 H 1 3.035 0.002 . 2 . . . . . 5 ORN HD2 . 50488 1 52 . 1 . 1 5 5 ORN HD3 H 1 3.035 0.002 . 2 . . . . . 5 ORN HD3 . 50488 1 53 . 1 . 1 5 5 ORN HE1 H 1 7.701 0.000 . 2 . . . . . 5 ORN QE . 50488 1 54 . 1 . 1 5 5 ORN HE2 H 1 7.701 0.000 . 2 . . . . . 5 ORN QE . 50488 1 55 . 1 . 1 5 5 ORN CA C 13 58.121 0.020 . 1 . . . . . 5 ORN CA . 50488 1 56 . 1 . 1 5 5 ORN CB C 13 30.205 0.000 . 1 . . . . . 5 ORN CB . 50488 1 57 . 1 . 1 5 5 ORN CG C 13 26.320 0.000 . 1 . . . . . 5 ORN CG . 50488 1 58 . 1 . 1 5 5 ORN CD C 13 41.911 0.000 . 1 . . . . . 5 ORN CD . 50488 1 59 . 1 . 1 6 6 ALA H H 1 8.638 0.001 . 1 . . . . . 6 ALA H . 50488 1 60 . 1 . 1 6 6 ALA HA H 1 4.271 0.003 . 1 . . . . . 6 ALA HA . 50488 1 61 . 1 . 1 6 6 ALA HB1 H 1 1.395 0.002 . 1 . . . . . 6 ALA HB# . 50488 1 62 . 1 . 1 6 6 ALA HB2 H 1 1.395 0.002 . 1 . . . . . 6 ALA HB# . 50488 1 63 . 1 . 1 6 6 ALA HB3 H 1 1.395 0.002 . 1 . . . . . 6 ALA HB# . 50488 1 64 . 1 . 1 6 6 ALA CA C 13 53.934 0.016 . 1 . . . . . 6 ALA CA . 50488 1 65 . 1 . 1 6 6 ALA CB C 13 18.767 0.000 . 1 . . . . . 6 ALA CB . 50488 1 66 . 1 . 1 7 7 GLN H H 1 8.240 0.002 . 1 . . . . . 7 GLN H . 50488 1 67 . 1 . 1 7 7 GLN HA H 1 4.153 0.003 . 1 . . . . . 7 GLN HA . 50488 1 68 . 1 . 1 7 7 GLN HB2 H 1 1.920 0.005 . 2 . . . . . 7 GLN HB2 . 50488 1 69 . 1 . 1 7 7 GLN HB3 H 1 2.223 0.003 . 2 . . . . . 7 GLN HB3 . 50488 1 70 . 1 . 1 7 7 GLN HG2 H 1 2.349 0.004 . 2 . . . . . 7 GLN HG2 . 50488 1 71 . 1 . 1 7 7 GLN HG3 H 1 2.349 0.004 . 2 . . . . . 7 GLN HG3 . 50488 1 72 . 1 . 1 7 7 GLN HE21 H 1 7.003 0.002 . 2 . . . . . 7 GLN HE21 . 50488 1 73 . 1 . 1 7 7 GLN HE22 H 1 7.638 0.002 . 2 . . . . . 7 GLN HE22 . 50488 1 74 . 1 . 1 7 7 GLN CA C 13 57.270 0.001 . 1 . . . . . 7 GLN CA . 50488 1 75 . 1 . 1 7 7 GLN CB C 13 29.319 0.011 . 1 . . . . . 7 GLN CB . 50488 1 76 . 1 . 1 7 7 GLN CG C 13 34.182 0.000 . 1 . . . . . 7 GLN CG . 50488 1 77 . 1 . 1 8 8 TRP H H 1 8.578 0.002 . 1 . . . . . 8 TRP H . 50488 1 78 . 1 . 1 8 8 TRP HA H 1 4.435 0.004 . 1 . . . . . 8 TRP HA . 50488 1 79 . 1 . 1 8 8 TRP HB2 H 1 3.253 0.003 . 2 . . . . . 8 TRP HB2 . 50488 1 80 . 1 . 1 8 8 TRP HB3 H 1 3.253 0.003 . 2 . . . . . 8 TRP HB3 . 50488 1 81 . 1 . 1 8 8 TRP HD1 H 1 7.109 0.003 . 1 . . . . . 8 TRP HD1 . 50488 1 82 . 1 . 1 8 8 TRP HE1 H 1 10.190 0.003 . 1 . . . . . 8 TRP HE1 . 50488 1 83 . 1 . 1 8 8 TRP HE3 H 1 7.367 0.002 . 1 . . . . . 8 TRP HE3 . 50488 1 84 . 1 . 1 8 8 TRP HZ2 H 1 7.471 0.003 . 1 . . . . . 8 TRP HZ2 . 50488 1 85 . 1 . 1 8 8 TRP HZ3 H 1 7.093 0.003 . 1 . . . . . 8 TRP HZ3 . 50488 1 86 . 1 . 1 8 8 TRP HH2 H 1 7.224 0.000 . 1 . . . . . 8 TRP HH2 . 50488 1 87 . 1 . 1 8 8 TRP CA C 13 58.865 0.003 . 1 . . . . . 8 TRP CA . 50488 1 88 . 1 . 1 8 8 TRP CB C 13 29.751 0.000 . 1 . . . . . 8 TRP CB . 50488 1 89 . 1 . 1 8 8 TRP CD1 C 13 127.393 0.000 . 1 . . . . . 8 TRP CD1 . 50488 1 90 . 1 . 1 8 8 TRP CE3 C 13 120.855 0.000 . 1 . . . . . 8 TRP CE3 . 50488 1 91 . 1 . 1 8 8 TRP CZ2 C 13 114.793 0.000 . 1 . . . . . 8 TRP CZ2 . 50488 1 92 . 1 . 1 8 8 TRP CZ3 C 13 122.140 0.000 . 1 . . . . . 8 TRP CZ3 . 50488 1 93 . 1 . 1 8 8 TRP CH2 C 13 124.832 0.000 . 1 . . . . . 8 TRP CH2 . 50488 1 94 . 1 . 1 9 9 PHE H H 1 8.080 0.002 . 1 . . . . . 9 PHE H . 50488 1 95 . 1 . 1 9 9 PHE HA H 1 4.278 0.004 . 1 . . . . . 9 PHE HA . 50488 1 96 . 1 . 1 9 9 PHE HB2 H 1 3.018 0.005 . 2 . . . . . 9 PHE HB2 . 50488 1 97 . 1 . 1 9 9 PHE HB3 H 1 3.072 0.005 . 2 . . . . . 9 PHE HB3 . 50488 1 98 . 1 . 1 9 9 PHE HD1 H 1 7.195 0.000 . 1 . . . . . 9 PHE HD1 . 50488 1 99 . 1 . 1 9 9 PHE HD2 H 1 7.195 0.000 . 1 . . . . . 9 PHE HD2 . 50488 1 100 . 1 . 1 9 9 PHE HE1 H 1 7.267 0.001 . 1 . . . . . 9 PHE HE1 . 50488 1 101 . 1 . 1 9 9 PHE HE2 H 1 7.267 0.001 . 1 . . . . . 9 PHE HE2 . 50488 1 102 . 1 . 1 9 9 PHE HZ H 1 7.164 0.000 . 1 . . . . . 9 PHE HZ . 50488 1 103 . 1 . 1 9 9 PHE CA C 13 59.438 0.014 . 1 . . . . . 9 PHE CA . 50488 1 104 . 1 . 1 9 9 PHE CB C 13 39.596 0.006 . 1 . . . . . 9 PHE CB . 50488 1 105 . 1 . 1 9 9 PHE CD1 C 13 132.047 0.000 . 1 . . . . . 9 PHE CD1 . 50488 1 106 . 1 . 1 9 9 PHE CD2 C 13 132.047 0.000 . 1 . . . . . 9 PHE CD2 . 50488 1 107 . 1 . 1 9 9 PHE CE1 C 13 131.435 0.000 . 1 . . . . . 9 PHE CE1 . 50488 1 108 . 1 . 1 9 9 PHE CE2 C 13 131.435 0.000 . 1 . . . . . 9 PHE CE2 . 50488 1 109 . 1 . 1 9 9 PHE CZ C 13 129.872 0.000 . 1 . . . . . 9 PHE CZ . 50488 1 110 . 1 . 1 10 10 ALA H H 1 7.913 0.003 . 1 . . . . . 10 ALA H . 50488 1 111 . 1 . 1 10 10 ALA HA H 1 4.118 0.002 . 1 . . . . . 10 ALA HA . 50488 1 112 . 1 . 1 10 10 ALA HB1 H 1 1.424 0.003 . 1 . . . . . 10 ALA HB# . 50488 1 113 . 1 . 1 10 10 ALA HB2 H 1 1.424 0.003 . 1 . . . . . 10 ALA HB# . 50488 1 114 . 1 . 1 10 10 ALA HB3 H 1 1.424 0.003 . 1 . . . . . 10 ALA HB# . 50488 1 115 . 1 . 1 10 10 ALA CA C 13 53.644 0.010 . 1 . . . . . 10 ALA CA . 50488 1 116 . 1 . 1 10 10 ALA CB C 13 18.683 0.000 . 1 . . . . . 10 ALA CB . 50488 1 117 . 1 . 1 11 11 ILE H H 1 7.910 0.002 . 1 . . . . . 11 ILE H . 50488 1 118 . 1 . 1 11 11 ILE HA H 1 3.859 0.002 . 1 . . . . . 11 ILE HA . 50488 1 119 . 1 . 1 11 11 ILE HB H 1 1.715 0.002 . 1 . . . . . 11 ILE HB . 50488 1 120 . 1 . 1 11 11 ILE HG12 H 1 1.039 0.002 . 2 . . . . . 11 ILE HG12 . 50488 1 121 . 1 . 1 11 11 ILE HG13 H 1 1.412 0.004 . 2 . . . . . 11 ILE HG13 . 50488 1 122 . 1 . 1 11 11 ILE HG21 H 1 0.742 0.002 . 1 . . . . . 11 ILE QG2 . 50488 1 123 . 1 . 1 11 11 ILE HG22 H 1 0.742 0.002 . 1 . . . . . 11 ILE QG2 . 50488 1 124 . 1 . 1 11 11 ILE HG23 H 1 0.742 0.002 . 1 . . . . . 11 ILE QG2 . 50488 1 125 . 1 . 1 11 11 ILE HD11 H 1 0.546 0.002 . 1 . . . . . 11 ILE QD1 . 50488 1 126 . 1 . 1 11 11 ILE HD12 H 1 0.546 0.002 . 1 . . . . . 11 ILE QD1 . 50488 1 127 . 1 . 1 11 11 ILE HD13 H 1 0.546 0.002 . 1 . . . . . 11 ILE QD1 . 50488 1 128 . 1 . 1 11 11 ILE CA C 13 62.592 0.014 . 1 . . . . . 11 ILE CA . 50488 1 129 . 1 . 1 11 11 ILE CB C 13 38.616 0.000 . 1 . . . . . 11 ILE CB . 50488 1 130 . 1 . 1 11 11 ILE CG1 C 13 28.297 0.015 . 1 . . . . . 11 ILE CG1 . 50488 1 131 . 1 . 1 11 11 ILE CG2 C 13 17.258 0.000 . 1 . . . . . 11 ILE CG2 . 50488 1 132 . 1 . 1 11 11 ILE CD1 C 13 13.088 0.000 . 1 . . . . . 11 ILE CD1 . 50488 1 133 . 1 . 1 12 12 GLN H H 1 8.088 0.003 . 1 . . . . . 12 GLN H . 50488 1 134 . 1 . 1 12 12 GLN HA H 1 4.060 0.003 . 1 . . . . . 12 GLN HA . 50488 1 135 . 1 . 1 12 12 GLN HB2 H 1 1.767 0.002 . 2 . . . . . 12 GLN HB2 . 50488 1 136 . 1 . 1 12 12 GLN HB3 H 1 1.833 0.002 . 2 . . . . . 12 GLN HB3 . 50488 1 137 . 1 . 1 12 12 GLN HG2 H 1 2.040 0.003 . 2 . . . . . 12 GLN HG2 . 50488 1 138 . 1 . 1 12 12 GLN HG3 H 1 2.079 0.006 . 2 . . . . . 12 GLN HG3 . 50488 1 139 . 1 . 1 12 12 GLN HE21 H 1 6.789 0.003 . 2 . . . . . 12 GLN HE21 . 50488 1 140 . 1 . 1 12 12 GLN HE22 H 1 7.116 0.004 . 2 . . . . . 12 GLN HE22 . 50488 1 141 . 1 . 1 12 12 GLN CA C 13 56.045 0.002 . 1 . . . . . 12 GLN CA . 50488 1 142 . 1 . 1 12 12 GLN CB C 13 29.291 0.004 . 1 . . . . . 12 GLN CB . 50488 1 143 . 1 . 1 12 12 GLN CG C 13 33.692 0.005 . 1 . . . . . 12 GLN CG . 50488 1 144 . 1 . 1 13 13 HIS H H 1 8.234 0.003 . 1 . . . . . 13 HIS H . 50488 1 145 . 1 . 1 13 13 HIS HA H 1 4.576 0.004 . 1 . . . . . 13 HIS HA . 50488 1 146 . 1 . 1 13 13 HIS HB2 H 1 2.932 0.002 . 2 . . . . . 13 HIS HB2 . 50488 1 147 . 1 . 1 13 13 HIS HB3 H 1 3.198 0.003 . 2 . . . . . 13 HIS HB3 . 50488 1 148 . 1 . 1 13 13 HIS HD2 H 1 7.113 0.003 . 1 . . . . . 13 HIS HD2 . 50488 1 149 . 1 . 1 13 13 HIS HE1 H 1 8.391 0.000 . 1 . . . . . 13 HIS HE1 . 50488 1 150 . 1 . 1 13 13 HIS CA C 13 55.566 0.000 . 1 . . . . . 13 HIS CA . 50488 1 151 . 1 . 1 13 13 HIS CB C 13 28.594 0.012 . 1 . . . . . 13 HIS CB . 50488 1 152 . 1 . 1 13 13 HIS CD2 C 13 120.039 0.000 . 1 . . . . . 13 HIS CD2 . 50488 1 153 . 1 . 1 14 14 ILE H H 1 8.123 0.002 . 1 . . . . . 14 ILE H . 50488 1 154 . 1 . 1 14 14 ILE HA H 1 4.155 0.004 . 1 . . . . . 14 ILE HA . 50488 1 155 . 1 . 1 14 14 ILE HB H 1 1.789 0.002 . 1 . . . . . 14 ILE HB . 50488 1 156 . 1 . 1 14 14 ILE HG12 H 1 1.138 0.004 . 2 . . . . . 14 ILE HG12 . 50488 1 157 . 1 . 1 14 14 ILE HG13 H 1 1.467 0.006 . 2 . . . . . 14 ILE HG13 . 50488 1 158 . 1 . 1 14 14 ILE HG21 H 1 0.860 0.004 . 1 . . . . . 14 ILE QG2 . 50488 1 159 . 1 . 1 14 14 ILE HG22 H 1 0.860 0.004 . 1 . . . . . 14 ILE QG2 . 50488 1 160 . 1 . 1 14 14 ILE HG23 H 1 0.860 0.004 . 1 . . . . . 14 ILE QG2 . 50488 1 161 . 1 . 1 14 14 ILE HD11 H 1 0.833 0.003 . 1 . . . . . 14 ILE QD1 . 50488 1 162 . 1 . 1 14 14 ILE HD12 H 1 0.833 0.003 . 1 . . . . . 14 ILE QD1 . 50488 1 163 . 1 . 1 14 14 ILE HD13 H 1 0.833 0.003 . 1 . . . . . 14 ILE QD1 . 50488 1 164 . 1 . 1 14 14 ILE CA C 13 61.110 0.017 . 1 . . . . . 14 ILE CA . 50488 1 165 . 1 . 1 14 14 ILE CB C 13 38.825 0.000 . 1 . . . . . 14 ILE CB . 50488 1 166 . 1 . 1 14 14 ILE CG1 C 13 27.389 0.005 . 1 . . . . . 14 ILE CG1 . 50488 1 167 . 1 . 1 14 14 ILE CG2 C 13 17.390 0.000 . 1 . . . . . 14 ILE CG2 . 50488 1 168 . 1 . 1 14 14 ILE CD1 C 13 12.825 0.000 . 1 . . . . . 14 ILE CD1 . 50488 1 169 . 1 . 1 15 15 SER H H 1 8.694 0.004 . 1 . . . . . 15 SER H . 50488 1 170 . 1 . 1 15 15 SER HA H 1 4.751 0.005 . 1 . . . . . 15 SER HA . 50488 1 171 . 1 . 1 15 15 SER HB2 H 1 3.825 0.005 . 2 . . . . . 15 SER HB2 . 50488 1 172 . 1 . 1 15 15 SER HB3 H 1 3.890 0.005 . 2 . . . . . 15 SER HB3 . 50488 1 173 . 1 . 1 15 15 SER CA C 13 56.518 0.000 . 1 . . . . . 15 SER CA . 50488 1 174 . 1 . 1 15 15 SER CB C 13 63.230 0.037 . 1 . . . . . 15 SER CB . 50488 1 175 . 1 . 1 16 16 PRO HA H 1 4.424 0.003 . 1 . . . . . 16 PRO HA . 50488 1 176 . 1 . 1 16 16 PRO HB2 H 1 1.923 0.003 . 2 . . . . . 16 PRO HB2 . 50488 1 177 . 1 . 1 16 16 PRO HB3 H 1 2.310 0.003 . 2 . . . . . 16 PRO HB3 . 50488 1 178 . 1 . 1 16 16 PRO HG2 H 1 2.030 0.002 . 2 . . . . . 16 PRO HG2 . 50488 1 179 . 1 . 1 16 16 PRO HG3 H 1 2.030 0.002 . 2 . . . . . 16 PRO HG3 . 50488 1 180 . 1 . 1 16 16 PRO HD2 H 1 3.749 0.002 . 2 . . . . . 16 PRO HD2 . 50488 1 181 . 1 . 1 16 16 PRO HD3 H 1 3.870 0.002 . 2 . . . . . 16 PRO HD3 . 50488 1 182 . 1 . 1 16 16 PRO CA C 13 63.351 0.026 . 1 . . . . . 16 PRO CA . 50488 1 183 . 1 . 1 16 16 PRO CB C 13 32.284 0.003 . 1 . . . . . 16 PRO CB . 50488 1 184 . 1 . 1 16 16 PRO CG C 13 27.468 0.000 . 1 . . . . . 16 PRO CG . 50488 1 185 . 1 . 1 16 16 PRO CD C 13 50.961 0.001 . 1 . . . . . 16 PRO CD . 50488 1 186 . 1 . 1 17 17 ORN H H 1 8.589 0.003 . 1 . . . . . 17 ORN H . 50488 1 187 . 1 . 1 17 17 ORN HA H 1 4.375 0.002 . 1 . . . . . 17 ORN HA . 50488 1 188 . 1 . 1 17 17 ORN HB2 H 1 1.786 0.003 . 2 . . . . . 17 ORN HB2 . 50488 1 189 . 1 . 1 17 17 ORN HB3 H 1 1.876 0.002 . 2 . . . . . 17 ORN HB3 . 50488 1 190 . 1 . 1 17 17 ORN HG2 H 1 1.774 0.000 . 2 . . . . . 17 ORN HG2 . 50488 1 191 . 1 . 1 17 17 ORN HG3 H 1 1.774 0.000 . 2 . . . . . 17 ORN HG3 . 50488 1 192 . 1 . 1 17 17 ORN HD2 H 1 3.017 0.002 . 2 . . . . . 17 ORN HD2 . 50488 1 193 . 1 . 1 17 17 ORN HD3 H 1 3.017 0.002 . 2 . . . . . 17 ORN HD3 . 50488 1 194 . 1 . 1 17 17 ORN HE1 H 1 7.675 0.000 . 2 . . . . . 17 ORN QE . 50488 1 195 . 1 . 1 17 17 ORN HE2 H 1 7.675 0.000 . 2 . . . . . 17 ORN QE . 50488 1 196 . 1 . 1 17 17 ORN CA C 13 56.084 0.029 . 1 . . . . . 17 ORN CA . 50488 1 197 . 1 . 1 17 17 ORN CB C 13 30.580 0.008 . 1 . . . . . 17 ORN CB . 50488 1 198 . 1 . 1 17 17 ORN CG C 13 26.256 0.000 . 1 . . . . . 17 ORN CG . 50488 1 199 . 1 . 1 17 17 ORN CD C 13 41.801 0.000 . 1 . . . . . 17 ORN CD . 50488 1 200 . 1 . 1 18 18 THR H H 1 8.301 0.002 . 1 . . . . . 18 THR H . 50488 1 201 . 1 . 1 18 18 THR HA H 1 4.300 0.003 . 1 . . . . . 18 THR HA . 50488 1 202 . 1 . 1 18 18 THR HB H 1 4.152 0.003 . 1 . . . . . 18 THR HB . 50488 1 203 . 1 . 1 18 18 THR HG21 H 1 1.191 0.002 . 1 . . . . . 18 THR QG2 . 50488 1 204 . 1 . 1 18 18 THR HG22 H 1 1.191 0.002 . 1 . . . . . 18 THR QG2 . 50488 1 205 . 1 . 1 18 18 THR HG23 H 1 1.191 0.002 . 1 . . . . . 18 THR QG2 . 50488 1 206 . 1 . 1 18 18 THR CA C 13 62.158 0.013 . 1 . . . . . 18 THR CA . 50488 1 207 . 1 . 1 18 18 THR CB C 13 69.991 0.039 . 1 . . . . . 18 THR CB . 50488 1 208 . 1 . 1 18 18 THR CG2 C 13 21.766 0.000 . 1 . . . . . 18 THR CG2 . 50488 1 209 . 1 . 1 19 19 ILE H H 1 8.390 0.002 . 1 . . . . . 19 ILE H . 50488 1 210 . 1 . 1 19 19 ILE HA H 1 4.124 0.003 . 1 . . . . . 19 ILE HA . 50488 1 211 . 1 . 1 19 19 ILE HB H 1 1.839 0.003 . 1 . . . . . 19 ILE HB . 50488 1 212 . 1 . 1 19 19 ILE HG12 H 1 1.179 0.007 . 2 . . . . . 19 ILE HG12 . 50488 1 213 . 1 . 1 19 19 ILE HG13 H 1 1.489 0.002 . 2 . . . . . 19 ILE HG13 . 50488 1 214 . 1 . 1 19 19 ILE HG21 H 1 0.910 0.003 . 1 . . . . . 19 ILE QG2 . 50488 1 215 . 1 . 1 19 19 ILE HG22 H 1 0.910 0.003 . 1 . . . . . 19 ILE QG2 . 50488 1 216 . 1 . 1 19 19 ILE HG23 H 1 0.910 0.003 . 1 . . . . . 19 ILE QG2 . 50488 1 217 . 1 . 1 19 19 ILE HD11 H 1 0.858 0.002 . 1 . . . . . 19 ILE QD1 . 50488 1 218 . 1 . 1 19 19 ILE HD12 H 1 0.858 0.002 . 1 . . . . . 19 ILE QD1 . 50488 1 219 . 1 . 1 19 19 ILE HD13 H 1 0.858 0.002 . 1 . . . . . 19 ILE QD1 . 50488 1 220 . 1 . 1 19 19 ILE CA C 13 61.198 0.023 . 1 . . . . . 19 ILE CA . 50488 1 221 . 1 . 1 19 19 ILE CB C 13 38.881 0.000 . 1 . . . . . 19 ILE CB . 50488 1 222 . 1 . 1 19 19 ILE CG1 C 13 27.382 0.008 . 1 . . . . . 19 ILE CG1 . 50488 1 223 . 1 . 1 19 19 ILE CG2 C 13 17.426 0.000 . 1 . . . . . 19 ILE CG2 . 50488 1 224 . 1 . 1 19 19 ILE CD1 C 13 12.941 0.000 . 1 . . . . . 19 ILE CD1 . 50488 1 225 . 1 . 1 20 20 ALA H H 1 8.499 0.002 . 1 . . . . . 20 ALA H . 50488 1 226 . 1 . 1 20 20 ALA HA H 1 4.295 0.003 . 1 . . . . . 20 ALA HA . 50488 1 227 . 1 . 1 20 20 ALA HB1 H 1 1.371 0.002 . 1 . . . . . 20 ALA HB# . 50488 1 228 . 1 . 1 20 20 ALA HB2 H 1 1.371 0.002 . 1 . . . . . 20 ALA HB# . 50488 1 229 . 1 . 1 20 20 ALA HB3 H 1 1.371 0.002 . 1 . . . . . 20 ALA HB# . 50488 1 230 . 1 . 1 20 20 ALA CA C 13 52.508 0.022 . 1 . . . . . 20 ALA CA . 50488 1 231 . 1 . 1 20 20 ALA CB C 13 19.195 0.000 . 1 . . . . . 20 ALA CB . 50488 1 232 . 1 . 1 21 21 MET H H 1 8.482 0.002 . 1 . . . . . 21 MET H . 50488 1 233 . 1 . 1 21 21 MET HA H 1 4.417 0.002 . 1 . . . . . 21 MET HA . 50488 1 234 . 1 . 1 21 21 MET HB2 H 1 2.010 0.003 . 2 . . . . . 21 MET HB2 . 50488 1 235 . 1 . 1 21 21 MET HB3 H 1 2.044 0.001 . 2 . . . . . 21 MET HB3 . 50488 1 236 . 1 . 1 21 21 MET HG2 H 1 2.559 0.001 . 2 . . . . . 21 MET HG2 . 50488 1 237 . 1 . 1 21 21 MET HG3 H 1 2.616 0.004 . 2 . . . . . 21 MET HG3 . 50488 1 238 . 1 . 1 21 21 MET HE1 H 1 2.094 0.000 . 1 . . . . . 21 MET HE# . 50488 1 239 . 1 . 1 21 21 MET HE2 H 1 2.094 0.000 . 1 . . . . . 21 MET HE# . 50488 1 240 . 1 . 1 21 21 MET HE3 H 1 2.094 0.000 . 1 . . . . . 21 MET HE# . 50488 1 241 . 1 . 1 21 21 MET CA C 13 55.532 0.034 . 1 . . . . . 21 MET CA . 50488 1 242 . 1 . 1 21 21 MET CB C 13 33.099 0.002 . 1 . . . . . 21 MET CB . 50488 1 243 . 1 . 1 21 21 MET CG C 13 31.964 0.004 . 1 . . . . . 21 MET CG . 50488 1 244 . 1 . 1 21 21 MET CE C 13 16.996 0.000 . 1 . . . . . 21 MET CE . 50488 1 245 . 1 . 1 22 22 ORN H H 1 8.509 0.005 . 1 . . . . . 22 ORN H . 50488 1 246 . 1 . 1 22 22 ORN HA H 1 4.309 0.004 . 1 . . . . . 22 ORN HA . 50488 1 247 . 1 . 1 22 22 ORN HB2 H 1 1.765 0.006 . 2 . . . . . 22 ORN HB2 . 50488 1 248 . 1 . 1 22 22 ORN HB3 H 1 1.852 0.001 . 2 . . . . . 22 ORN HB3 . 50488 1 249 . 1 . 1 22 22 ORN HG2 H 1 1.750 0.000 . 2 . . . . . 22 ORN HG2 . 50488 1 250 . 1 . 1 22 22 ORN HG3 H 1 1.750 0.000 . 2 . . . . . 22 ORN HG3 . 50488 1 251 . 1 . 1 22 22 ORN HD2 H 1 3.019 0.000 . 2 . . . . . 22 ORN HD2 . 50488 1 252 . 1 . 1 22 22 ORN HD3 H 1 3.019 0.000 . 2 . . . . . 22 ORN HD3 . 50488 1 253 . 1 . 1 22 22 ORN CA C 13 55.911 0.015 . 1 . . . . . 22 ORN CA . 50488 1 254 . 1 . 1 22 22 ORN CB C 13 30.687 0.005 . 1 . . . . . 22 ORN CB . 50488 1 255 . 1 . 1 22 22 ORN CG C 13 26.190 0.000 . 1 . . . . . 22 ORN CG . 50488 1 256 . 1 . 1 23 23 ALA H H 1 8.500 0.003 . 1 . . . . . 23 ALA H . 50488 1 257 . 1 . 1 23 23 ALA HA H 1 4.294 0.004 . 1 . . . . . 23 ALA HA . 50488 1 258 . 1 . 1 23 23 ALA HB1 H 1 1.372 0.004 . 1 . . . . . 23 ALA HB# . 50488 1 259 . 1 . 1 23 23 ALA HB2 H 1 1.372 0.004 . 1 . . . . . 23 ALA HB# . 50488 1 260 . 1 . 1 23 23 ALA HB3 H 1 1.372 0.004 . 1 . . . . . 23 ALA HB# . 50488 1 261 . 1 . 1 23 23 ALA CA C 13 52.508 0.022 . 1 . . . . . 23 ALA CA . 50488 1 262 . 1 . 1 23 23 ALA CB C 13 19.183 0.000 . 1 . . . . . 23 ALA CB . 50488 1 263 . 1 . 1 24 24 ILE H H 1 8.339 0.001 . 1 . . . . . 24 ILE H . 50488 1 264 . 1 . 1 24 24 ILE HA H 1 4.104 0.005 . 1 . . . . . 24 ILE HA . 50488 1 265 . 1 . 1 24 24 ILE HB H 1 1.832 0.001 . 1 . . . . . 24 ILE HB . 50488 1 266 . 1 . 1 24 24 ILE HG12 H 1 1.177 0.006 . 2 . . . . . 24 ILE HG12 . 50488 1 267 . 1 . 1 24 24 ILE HG13 H 1 1.478 0.002 . 2 . . . . . 24 ILE HG13 . 50488 1 268 . 1 . 1 24 24 ILE HG21 H 1 0.885 0.002 . 1 . . . . . 24 ILE QG2 . 50488 1 269 . 1 . 1 24 24 ILE HG22 H 1 0.885 0.002 . 1 . . . . . 24 ILE QG2 . 50488 1 270 . 1 . 1 24 24 ILE HG23 H 1 0.885 0.002 . 1 . . . . . 24 ILE QG2 . 50488 1 271 . 1 . 1 24 24 ILE HD11 H 1 0.861 0.003 . 1 . . . . . 24 ILE QD1 . 50488 1 272 . 1 . 1 24 24 ILE HD12 H 1 0.861 0.003 . 1 . . . . . 24 ILE QD1 . 50488 1 273 . 1 . 1 24 24 ILE HD13 H 1 0.861 0.003 . 1 . . . . . 24 ILE QD1 . 50488 1 274 . 1 . 1 24 24 ILE CA C 13 61.214 0.007 . 1 . . . . . 24 ILE CA . 50488 1 275 . 1 . 1 24 24 ILE CB C 13 38.881 0.000 . 1 . . . . . 24 ILE CB . 50488 1 276 . 1 . 1 24 24 ILE CG1 C 13 27.391 0.001 . 1 . . . . . 24 ILE CG1 . 50488 1 277 . 1 . 1 24 24 ILE CG2 C 13 17.507 0.000 . 1 . . . . . 24 ILE CG2 . 50488 1 278 . 1 . 1 24 24 ILE CD1 C 13 12.941 0.000 . 1 . . . . . 24 ILE CD1 . 50488 1 279 . 1 . 1 25 25 ASN H H 1 8.597 0.002 . 1 . . . . . 25 ASN H . 50488 1 280 . 1 . 1 25 25 ASN HA H 1 4.667 0.003 . 1 . . . . . 25 ASN HA . 50488 1 281 . 1 . 1 25 25 ASN HB2 H 1 2.679 0.002 . 2 . . . . . 25 ASN HB2 . 50488 1 282 . 1 . 1 25 25 ASN HB3 H 1 2.720 0.002 . 2 . . . . . 25 ASN HB3 . 50488 1 283 . 1 . 1 25 25 ASN HD21 H 1 6.982 0.002 . 2 . . . . . 25 ASN HD21 . 50488 1 284 . 1 . 1 25 25 ASN HD22 H 1 7.660 0.002 . 2 . . . . . 25 ASN HD22 . 50488 1 285 . 1 . 1 25 25 ASN CA C 13 53.046 0.000 . 1 . . . . . 25 ASN CA . 50488 1 286 . 1 . 1 25 25 ASN CB C 13 38.986 0.017 . 1 . . . . . 25 ASN CB . 50488 1 287 . 1 . 1 26 26 ASN H H 1 8.502 0.002 . 1 . . . . . 26 ASN H . 50488 1 288 . 1 . 1 26 26 ASN HA H 1 4.679 0.005 . 1 . . . . . 26 ASN HA . 50488 1 289 . 1 . 1 26 26 ASN HB2 H 1 2.685 0.001 . 2 . . . . . 26 ASN HB2 . 50488 1 290 . 1 . 1 26 26 ASN HB3 H 1 2.752 0.004 . 2 . . . . . 26 ASN HB3 . 50488 1 291 . 1 . 1 26 26 ASN HD21 H 1 6.939 0.002 . 2 . . . . . 26 ASN HD21 . 50488 1 292 . 1 . 1 26 26 ASN HD22 H 1 7.640 0.002 . 2 . . . . . 26 ASN HD22 . 50488 1 293 . 1 . 1 26 26 ASN CA C 13 52.992 0.000 . 1 . . . . . 26 ASN CA . 50488 1 294 . 1 . 1 26 26 ASN CB C 13 38.785 0.013 . 1 . . . . . 26 ASN CB . 50488 1 295 . 1 . 1 27 27 TYR H H 1 8.239 0.002 . 1 . . . . . 27 TYR H . 50488 1 296 . 1 . 1 27 27 TYR HA H 1 4.436 0.003 . 1 . . . . . 27 TYR HA . 50488 1 297 . 1 . 1 27 27 TYR HB2 H 1 2.917 0.002 . 2 . . . . . 27 TYR HB2 . 50488 1 298 . 1 . 1 27 27 TYR HB3 H 1 2.917 0.002 . 2 . . . . . 27 TYR HB3 . 50488 1 299 . 1 . 1 27 27 TYR HD1 H 1 7.024 0.003 . 1 . . . . . 27 TYR HD1 . 50488 1 300 . 1 . 1 27 27 TYR HD2 H 1 7.024 0.003 . 1 . . . . . 27 TYR HD2 . 50488 1 301 . 1 . 1 27 27 TYR HE1 H 1 6.783 0.001 . 1 . . . . . 27 TYR HE1 . 50488 1 302 . 1 . 1 27 27 TYR HE2 H 1 6.783 0.001 . 1 . . . . . 27 TYR HE2 . 50488 1 303 . 1 . 1 27 27 TYR CA C 13 58.449 0.005 . 1 . . . . . 27 TYR CA . 50488 1 304 . 1 . 1 27 27 TYR CB C 13 38.537 0.000 . 1 . . . . . 27 TYR CB . 50488 1 305 . 1 . 1 27 27 TYR CD1 C 13 133.242 0.000 . 1 . . . . . 27 TYR CD1 . 50488 1 306 . 1 . 1 27 27 TYR CD2 C 13 133.242 0.000 . 1 . . . . . 27 TYR CD2 . 50488 1 307 . 1 . 1 27 27 TYR CE1 C 13 118.265 0.000 . 1 . . . . . 27 TYR CE1 . 50488 1 308 . 1 . 1 27 27 TYR CE2 C 13 118.265 0.000 . 1 . . . . . 27 TYR CE2 . 50488 1 309 . 1 . 1 28 28 ORN H H 1 8.181 0.002 . 1 . . . . . 28 ORN H . 50488 1 310 . 1 . 1 28 28 ORN HA H 1 4.250 0.003 . 1 . . . . . 28 ORN HA . 50488 1 311 . 1 . 1 28 28 ORN HB2 H 1 1.632 0.005 . 2 . . . . . 28 ORN HB2 . 50488 1 312 . 1 . 1 28 28 ORN HB3 H 1 1.731 0.006 . 2 . . . . . 28 ORN HB3 . 50488 1 313 . 1 . 1 28 28 ORN HG2 H 1 1.576 0.006 . 2 . . . . . 28 ORN HG2 . 50488 1 314 . 1 . 1 28 28 ORN HG3 H 1 1.576 0.006 . 2 . . . . . 28 ORN HG3 . 50488 1 315 . 1 . 1 28 28 ORN HD2 H 1 2.955 0.003 . 2 . . . . . 28 ORN HD2 . 50488 1 316 . 1 . 1 28 28 ORN HD3 H 1 2.955 0.003 . 2 . . . . . 28 ORN HD3 . 50488 1 317 . 1 . 1 28 28 ORN HE1 H 1 7.621 0.000 . 2 . . . . . 28 ORN QE . 50488 1 318 . 1 . 1 28 28 ORN HE2 H 1 7.621 0.000 . 2 . . . . . 28 ORN QE . 50488 1 319 . 1 . 1 28 28 ORN CA C 13 55.574 0.019 . 1 . . . . . 28 ORN CA . 50488 1 320 . 1 . 1 28 28 ORN CB C 13 30.688 0.000 . 1 . . . . . 28 ORN CB . 50488 1 321 . 1 . 1 28 28 ORN CG C 13 26.031 0.000 . 1 . . . . . 28 ORN CG . 50488 1 322 . 1 . 1 28 28 ORN CD C 13 41.801 0.000 . 1 . . . . . 28 ORN CD . 50488 1 323 . 1 . 1 29 29 TRP H H 1 8.254 0.003 . 1 . . . . . 29 TRP H . 50488 1 324 . 1 . 1 29 29 TRP HA H 1 4.507 0.004 . 1 . . . . . 29 TRP HA . 50488 1 325 . 1 . 1 29 29 TRP HB2 H 1 3.265 0.002 . 2 . . . . . 29 TRP HB2 . 50488 1 326 . 1 . 1 29 29 TRP HB3 H 1 3.265 0.002 . 2 . . . . . 29 TRP HB3 . 50488 1 327 . 1 . 1 29 29 TRP HD1 H 1 7.281 0.002 . 1 . . . . . 29 TRP HD1 . 50488 1 328 . 1 . 1 29 29 TRP HE1 H 1 10.233 0.002 . 1 . . . . . 29 TRP HE1 . 50488 1 329 . 1 . 1 29 29 TRP HE3 H 1 7.641 0.001 . 1 . . . . . 29 TRP HE3 . 50488 1 330 . 1 . 1 29 29 TRP HZ2 H 1 7.466 0.002 . 1 . . . . . 29 TRP HZ2 . 50488 1 331 . 1 . 1 29 29 TRP HZ3 H 1 7.160 0.000 . 1 . . . . . 29 TRP HZ3 . 50488 1 332 . 1 . 1 29 29 TRP HH2 H 1 7.225 0.000 . 1 . . . . . 29 TRP HH2 . 50488 1 333 . 1 . 1 29 29 TRP CA C 13 57.931 0.010 . 1 . . . . . 29 TRP CA . 50488 1 334 . 1 . 1 29 29 TRP CB C 13 29.521 0.000 . 1 . . . . . 29 TRP CB . 50488 1 335 . 1 . 1 29 29 TRP CD1 C 13 127.469 0.000 . 1 . . . . . 29 TRP CD1 . 50488 1 336 . 1 . 1 29 29 TRP CE3 C 13 121.098 0.000 . 1 . . . . . 29 TRP CE3 . 50488 1 337 . 1 . 1 29 29 TRP CZ2 C 13 114.793 0.000 . 1 . . . . . 29 TRP CZ2 . 50488 1 338 . 1 . 1 29 29 TRP CZ3 C 13 122.284 0.000 . 1 . . . . . 29 TRP CZ3 . 50488 1 339 . 1 . 1 29 29 TRP CH2 C 13 124.832 0.000 . 1 . . . . . 29 TRP CH2 . 50488 1 340 . 1 . 1 30 30 ORN H H 1 8.156 0.002 . 1 . . . . . 30 ORN H . 50488 1 341 . 1 . 1 30 30 ORN HA H 1 4.121 0.003 . 1 . . . . . 30 ORN HA . 50488 1 342 . 1 . 1 30 30 ORN HB2 H 1 1.545 0.004 . 2 . . . . . 30 ORN HB2 . 50488 1 343 . 1 . 1 30 30 ORN HB3 H 1 1.734 0.002 . 2 . . . . . 30 ORN HB3 . 50488 1 344 . 1 . 1 30 30 ORN HG2 H 1 1.540 0.005 . 2 . . . . . 30 ORN HG2 . 50488 1 345 . 1 . 1 30 30 ORN HG3 H 1 1.540 0.005 . 2 . . . . . 30 ORN HG3 . 50488 1 346 . 1 . 1 30 30 ORN HD2 H 1 2.908 0.004 . 2 . . . . . 30 ORN HD2 . 50488 1 347 . 1 . 1 30 30 ORN HD3 H 1 2.908 0.004 . 2 . . . . . 30 ORN HD3 . 50488 1 348 . 1 . 1 30 30 ORN HE1 H 1 7.591 0.002 . 2 . . . . . 30 ORN QE . 50488 1 349 . 1 . 1 30 30 ORN HE2 H 1 7.591 0.002 . 2 . . . . . 30 ORN QE . 50488 1 350 . 1 . 1 30 30 ORN CA C 13 55.498 0.040 . 1 . . . . . 30 ORN CA . 50488 1 351 . 1 . 1 30 30 ORN CB C 13 30.711 0.023 . 1 . . . . . 30 ORN CB . 50488 1 352 . 1 . 1 30 30 ORN CG C 13 25.927 0.000 . 1 . . . . . 30 ORN CG . 50488 1 353 . 1 . 1 30 30 ORN CD C 13 41.789 0.000 . 1 . . . . . 30 ORN CD . 50488 1 354 . 1 . 1 31 31 NH2 HN1 H 1 6.757 0.002 . 2 . . . . . 31 NH2 HN1 . 50488 1 355 . 1 . 1 31 31 NH2 HN2 H 1 6.935 0.002 . 2 . . . . . 31 NH2 HN2 . 50488 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50488 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name opOrn-hECP30_25H _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 12 '2D 1H-1H COSY' . . . 50488 2 13 '2D 1H-1H TOCSY' . . . 50488 2 14 '2D 1H-1H NOESY' . . . 50488 2 15 '2D 1H-13C HSQC aliphatic' . . . 50488 2 16 '2D 1H-13C HSQC aromatic' . . . 50488 2 18 '2D 1H-1H TOCSY' . . . 50488 2 19 '2D 1H-13C HSQC aliphatic' . . . 50488 2 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 . . 50488 2 2 $software_2 . . 50488 2 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 4.360 0.002 . 1 . . . . . 1 DORN HA . 50488 2 2 . 1 . 1 1 1 ORD HB2 H 1 1.921 0.004 . 2 . . . . . 1 DORN HB2 . 50488 2 3 . 1 . 1 1 1 ORD HB3 H 1 1.921 0.004 . 2 . . . . . 1 DORN HB3 . 50488 2 4 . 1 . 1 1 1 ORD HG2 H 1 1.737 0.000 . 2 . . . . . 1 DORN HG2 . 50488 2 5 . 1 . 1 1 1 ORD HG3 H 1 1.768 0.000 . 2 . . . . . 1 DORN HG3 . 50488 2 6 . 1 . 1 1 1 ORD CA C 13 54.050 0.033 . 1 . . . . . 1 DORN CA . 50488 2 7 . 1 . 1 1 1 ORD CB C 13 29.691 0.051 . 1 . . . . . 1 DORN CB . 50488 2 8 . 1 . 1 1 1 ORD CG C 13 24.782 0.010 . 1 . . . . . 1 DORN CG . 50488 2 9 . 1 . 1 2 2 DPR HA H 1 4.390 0.001 . 1 . . . . . 2 DPRO HA . 50488 2 10 . 1 . 1 2 2 DPR HB2 H 1 1.232 0.003 . 2 . . . . . 2 DPRO HB2 . 50488 2 11 . 1 . 1 2 2 DPR HB3 H 1 2.045 0.003 . 2 . . . . . 2 DPRO HB3 . 50488 2 12 . 1 . 1 2 2 DPR HG2 H 1 1.752 0.002 . 2 . . . . . 2 DPRO HG2 . 50488 2 13 . 1 . 1 2 2 DPR HG3 H 1 1.843 0.002 . 2 . . . . . 2 DPRO HG3 . 50488 2 14 . 1 . 1 2 2 DPR HD2 H 1 3.445 0.003 . 2 . . . . . 2 DPRO HD2 . 50488 2 15 . 1 . 1 2 2 DPR HD3 H 1 3.667 0.002 . 2 . . . . . 2 DPRO HD3 . 50488 2 16 . 1 . 1 2 2 DPR CA C 13 63.423 0.030 . 1 . . . . . 2 DPRO CA . 50488 2 17 . 1 . 1 2 2 DPR CB C 13 32.377 0.052 . 1 . . . . . 2 DPRO CB . 50488 2 18 . 1 . 1 2 2 DPR CG C 13 27.383 0.057 . 1 . . . . . 2 DPRO CG . 50488 2 19 . 1 . 1 2 2 DPR CD C 13 50.761 0.071 . 1 . . . . . 2 DPRO CD . 50488 2 20 . 1 . 1 3 3 PHE H H 1 8.560 0.002 . 1 . . . . . 3 PHE H . 50488 2 21 . 1 . 1 3 3 PHE HA H 1 4.975 0.002 . 1 . . . . . 3 PHE HA . 50488 2 22 . 1 . 1 3 3 PHE HB2 H 1 2.729 0.005 . 2 . . . . . 3 PHE HB2 . 50488 2 23 . 1 . 1 3 3 PHE HB3 H 1 3.287 0.002 . 2 . . . . . 3 PHE HB3 . 50488 2 24 . 1 . 1 3 3 PHE HD1 H 1 7.164 0.003 . 1 . . . . . 3 PHE HD1 . 50488 2 25 . 1 . 1 3 3 PHE HD2 H 1 7.164 0.003 . 1 . . . . . 3 PHE HD2 . 50488 2 26 . 1 . 1 3 3 PHE HE1 H 1 7.324 0.003 . 1 . . . . . 3 PHE HE1 . 50488 2 27 . 1 . 1 3 3 PHE HE2 H 1 7.324 0.003 . 1 . . . . . 3 PHE HE2 . 50488 2 28 . 1 . 1 3 3 PHE HZ H 1 7.285 0.000 . 1 . . . . . 3 PHE HZ . 50488 2 29 . 1 . 1 3 3 PHE CA C 13 56.745 0.000 . 1 . . . . . 3 PHE CA . 50488 2 30 . 1 . 1 3 3 PHE CB C 13 41.152 0.039 . 1 . . . . . 3 PHE CB . 50488 2 31 . 1 . 1 3 3 PHE CD1 C 13 132.015 0.000 . 1 . . . . . 3 PHE CD1 . 50488 2 32 . 1 . 1 3 3 PHE CD2 C 13 132.015 0.000 . 1 . . . . . 3 PHE CD2 . 50488 2 33 . 1 . 1 3 3 PHE CE1 C 13 131.491 0.000 . 1 . . . . . 3 PHE CE1 . 50488 2 34 . 1 . 1 3 3 PHE CE2 C 13 131.491 0.000 . 1 . . . . . 3 PHE CE2 . 50488 2 35 . 1 . 1 3 3 PHE CZ C 13 129.925 0.000 . 1 . . . . . 3 PHE CZ . 50488 2 36 . 1 . 1 4 4 THR H H 1 8.476 0.005 . 1 . . . . . 4 THR H . 50488 2 37 . 1 . 1 4 4 THR HA H 1 4.406 0.000 . 1 . . . . . 4 THR HA . 50488 2 38 . 1 . 1 4 4 THR HB H 1 4.379 0.003 . 1 . . . . . 4 THR HB . 50488 2 39 . 1 . 1 4 4 THR HG21 H 1 1.274 0.002 . 1 . . . . . 4 THR QG2 . 50488 2 40 . 1 . 1 4 4 THR HG22 H 1 1.274 0.002 . 1 . . . . . 4 THR QG2 . 50488 2 41 . 1 . 1 4 4 THR HG23 H 1 1.274 0.002 . 1 . . . . . 4 THR QG2 . 50488 2 42 . 1 . 1 4 4 THR CA C 13 61.847 0.013 . 1 . . . . . 4 THR CA . 50488 2 43 . 1 . 1 4 4 THR CB C 13 70.424 0.015 . 1 . . . . . 4 THR CB . 50488 2 44 . 1 . 1 4 4 THR CG2 C 13 21.785 0.019 . 1 . . . . . 4 THR CG2 . 50488 2 45 . 1 . 1 5 5 ORN H H 1 8.684 0.001 . 1 . . . . . 5 ORN H . 50488 2 46 . 1 . 1 5 5 ORN HA H 1 4.286 0.001 . 1 . . . . . 5 ORN HA . 50488 2 47 . 1 . 1 5 5 ORN HB2 H 1 1.834 0.004 . 2 . . . . . 5 ORN HB2 . 50488 2 48 . 1 . 1 5 5 ORN HB3 H 1 1.876 0.004 . 2 . . . . . 5 ORN HB3 . 50488 2 49 . 1 . 1 5 5 ORN HG2 H 1 1.745 0.000 . 2 . . . . . 5 ORN HG2 . 50488 2 50 . 1 . 1 5 5 ORN HG3 H 1 1.788 0.001 . 2 . . . . . 5 ORN HG3 . 50488 2 51 . 1 . 1 5 5 ORN HD2 H 1 3.026 0.004 . 2 . . . . . 5 ORN HD2 . 50488 2 52 . 1 . 1 5 5 ORN HD3 H 1 3.026 0.004 . 2 . . . . . 5 ORN HD3 . 50488 2 53 . 1 . 1 5 5 ORN HE1 H 1 7.609 0.000 . 2 . . . . . 5 ORN QE . 50488 2 54 . 1 . 1 5 5 ORN HE2 H 1 7.609 0.000 . 2 . . . . . 5 ORN QE . 50488 2 55 . 1 . 1 5 5 ORN CA C 13 57.382 0.017 . 1 . . . . . 5 ORN CA . 50488 2 56 . 1 . 1 5 5 ORN CB C 13 30.524 0.041 . 1 . . . . . 5 ORN CB . 50488 2 57 . 1 . 1 5 5 ORN CG C 13 26.255 0.000 . 1 . . . . . 5 ORN CG . 50488 2 58 . 1 . 1 5 5 ORN CD C 13 41.878 0.000 . 1 . . . . . 5 ORN CD . 50488 2 59 . 1 . 1 6 6 ALA H H 1 8.432 0.000 . 1 . . . . . 6 ALA H . 50488 2 60 . 1 . 1 6 6 ALA HA H 1 4.247 0.001 . 1 . . . . . 6 ALA HA . 50488 2 61 . 1 . 1 6 6 ALA HB1 H 1 1.357 0.001 . 1 . . . . . 6 ALA HB# . 50488 2 62 . 1 . 1 6 6 ALA HB2 H 1 1.357 0.001 . 1 . . . . . 6 ALA HB# . 50488 2 63 . 1 . 1 6 6 ALA HB3 H 1 1.357 0.001 . 1 . . . . . 6 ALA HB# . 50488 2 64 . 1 . 1 6 6 ALA CA C 13 53.531 0.003 . 1 . . . . . 6 ALA CA . 50488 2 65 . 1 . 1 6 6 ALA CB C 13 19.058 0.033 . 1 . . . . . 6 ALA CB . 50488 2 66 . 1 . 1 7 7 GLN H H 1 8.174 0.002 . 1 . . . . . 7 GLN H . 50488 2 67 . 1 . 1 7 7 GLN HA H 1 4.179 0.000 . 1 . . . . . 7 GLN HA . 50488 2 68 . 1 . 1 7 7 GLN HB2 H 1 1.916 0.002 . 2 . . . . . 7 GLN HB2 . 50488 2 69 . 1 . 1 7 7 GLN HB3 H 1 2.065 0.006 . 2 . . . . . 7 GLN HB3 . 50488 2 70 . 1 . 1 7 7 GLN HG2 H 1 2.292 0.002 . 2 . . . . . 7 GLN HG2 . 50488 2 71 . 1 . 1 7 7 GLN HG3 H 1 2.292 0.002 . 2 . . . . . 7 GLN HG3 . 50488 2 72 . 1 . 1 7 7 GLN HE21 H 1 6.889 0.000 . 2 . . . . . 7 GLN HE21 . 50488 2 73 . 1 . 1 7 7 GLN HE22 H 1 7.489 0.001 . 2 . . . . . 7 GLN HE22 . 50488 2 74 . 1 . 1 7 7 GLN CA C 13 56.855 0.008 . 1 . . . . . 7 GLN CA . 50488 2 75 . 1 . 1 7 7 GLN CB C 13 29.524 0.033 . 1 . . . . . 7 GLN CB . 50488 2 76 . 1 . 1 7 7 GLN CG C 13 34.111 0.028 . 1 . . . . . 7 GLN CG . 50488 2 77 . 1 . 1 8 8 TRP H H 1 8.297 0.000 . 1 . . . . . 8 TRP H . 50488 2 78 . 1 . 1 8 8 TRP HA H 1 4.468 0.003 . 1 . . . . . 8 TRP HA . 50488 2 79 . 1 . 1 8 8 TRP HB2 H 1 3.229 0.008 . 2 . . . . . 8 TRP HB2 . 50488 2 80 . 1 . 1 8 8 TRP HB3 H 1 3.229 0.008 . 2 . . . . . 8 TRP HB3 . 50488 2 81 . 1 . 1 8 8 TRP HD1 H 1 7.111 0.000 . 1 . . . . . 8 TRP HD1 . 50488 2 82 . 1 . 1 8 8 TRP HE1 H 1 10.104 0.000 . 1 . . . . . 8 TRP HE1 . 50488 2 83 . 1 . 1 8 8 TRP HE3 H 1 7.424 0.000 . 1 . . . . . 8 TRP HE3 . 50488 2 84 . 1 . 1 8 8 TRP HZ2 H 1 7.467 0.000 . 1 . . . . . 8 TRP HZ2 . 50488 2 85 . 1 . 1 8 8 TRP HZ3 H 1 7.102 0.000 . 1 . . . . . 8 TRP HZ3 . 50488 2 86 . 1 . 1 8 8 TRP HH2 H 1 7.229 0.000 . 1 . . . . . 8 TRP HH2 . 50488 2 87 . 1 . 1 8 8 TRP CA C 13 58.475 0.000 . 1 . . . . . 8 TRP CA . 50488 2 88 . 1 . 1 8 8 TRP CB C 13 29.846 0.042 . 1 . . . . . 8 TRP CB . 50488 2 89 . 1 . 1 8 8 TRP CD1 C 13 127.338 0.000 . 1 . . . . . 8 TRP CD1 . 50488 2 90 . 1 . 1 8 8 TRP CE3 C 13 120.917 0.000 . 1 . . . . . 8 TRP CE3 . 50488 2 91 . 1 . 1 8 8 TRP CZ2 C 13 114.813 0.000 . 1 . . . . . 8 TRP CZ2 . 50488 2 92 . 1 . 1 8 8 TRP CZ3 C 13 122.144 0.000 . 1 . . . . . 8 TRP CZ3 . 50488 2 93 . 1 . 1 8 8 TRP CH2 C 13 124.842 0.000 . 1 . . . . . 8 TRP CH2 . 50488 2 94 . 1 . 1 9 9 PHE H H 1 7.889 0.001 . 1 . . . . . 9 PHE H . 50488 2 95 . 1 . 1 9 9 PHE HA H 1 4.326 0.003 . 1 . . . . . 9 PHE HA . 50488 2 96 . 1 . 1 9 9 PHE HB2 H 1 2.952 0.000 . 2 . . . . . 9 PHE HB2 . 50488 2 97 . 1 . 1 9 9 PHE HB3 H 1 3.018 0.005 . 2 . . . . . 9 PHE HB3 . 50488 2 98 . 1 . 1 9 9 PHE HD1 H 1 7.171 0.003 . 1 . . . . . 9 PHE HD1 . 50488 2 99 . 1 . 1 9 9 PHE HD2 H 1 7.171 0.003 . 1 . . . . . 9 PHE HD2 . 50488 2 100 . 1 . 1 9 9 PHE HE1 H 1 7.292 0.001 . 1 . . . . . 9 PHE HE1 . 50488 2 101 . 1 . 1 9 9 PHE HE2 H 1 7.292 0.001 . 1 . . . . . 9 PHE HE2 . 50488 2 102 . 1 . 1 9 9 PHE HZ H 1 7.223 0.000 . 1 . . . . . 9 PHE HZ . 50488 2 103 . 1 . 1 9 9 PHE CA C 13 58.721 0.010 . 1 . . . . . 9 PHE CA . 50488 2 104 . 1 . 1 9 9 PHE CB C 13 39.687 0.052 . 1 . . . . . 9 PHE CB . 50488 2 105 . 1 . 1 9 9 PHE CD1 C 13 132.015 0.000 . 1 . . . . . 9 PHE CD1 . 50488 2 106 . 1 . 1 9 9 PHE CD2 C 13 132.015 0.000 . 1 . . . . . 9 PHE CD2 . 50488 2 107 . 1 . 1 9 9 PHE CE1 C 13 131.484 0.000 . 1 . . . . . 9 PHE CE1 . 50488 2 108 . 1 . 1 9 9 PHE CE2 C 13 131.484 0.000 . 1 . . . . . 9 PHE CE2 . 50488 2 109 . 1 . 1 9 9 PHE CZ C 13 129.941 0.000 . 1 . . . . . 9 PHE CZ . 50488 2 110 . 1 . 1 10 10 ALA H H 1 7.874 0.001 . 1 . . . . . 10 ALA H . 50488 2 111 . 1 . 1 10 10 ALA HA H 1 4.137 0.002 . 1 . . . . . 10 ALA HA . 50488 2 112 . 1 . 1 10 10 ALA HB1 H 1 1.382 0.001 . 1 . . . . . 10 ALA HB# . 50488 2 113 . 1 . 1 10 10 ALA HB2 H 1 1.382 0.001 . 1 . . . . . 10 ALA HB# . 50488 2 114 . 1 . 1 10 10 ALA HB3 H 1 1.382 0.001 . 1 . . . . . 10 ALA HB# . 50488 2 115 . 1 . 1 10 10 ALA CA C 13 53.285 0.006 . 1 . . . . . 10 ALA CA . 50488 2 116 . 1 . 1 10 10 ALA CB C 13 18.971 0.055 . 1 . . . . . 10 ALA CB . 50488 2 117 . 1 . 1 11 11 ILE H H 1 7.863 0.000 . 1 . . . . . 11 ILE H . 50488 2 118 . 1 . 1 11 11 ILE HA H 1 3.949 0.001 . 1 . . . . . 11 ILE HA . 50488 2 119 . 1 . 1 11 11 ILE HB H 1 1.751 0.002 . 1 . . . . . 11 ILE HB . 50488 2 120 . 1 . 1 11 11 ILE HG12 H 1 1.097 0.004 . 2 . . . . . 11 ILE HG12 . 50488 2 121 . 1 . 1 11 11 ILE HG13 H 1 1.413 0.006 . 2 . . . . . 11 ILE HG13 . 50488 2 122 . 1 . 1 11 11 ILE HG21 H 1 0.774 0.001 . 1 . . . . . 11 ILE QG2 . 50488 2 123 . 1 . 1 11 11 ILE HG22 H 1 0.774 0.001 . 1 . . . . . 11 ILE QG2 . 50488 2 124 . 1 . 1 11 11 ILE HG23 H 1 0.774 0.001 . 1 . . . . . 11 ILE QG2 . 50488 2 125 . 1 . 1 11 11 ILE HD11 H 1 0.678 0.002 . 1 . . . . . 11 ILE QD1 . 50488 2 126 . 1 . 1 11 11 ILE HD12 H 1 0.678 0.002 . 1 . . . . . 11 ILE QD1 . 50488 2 127 . 1 . 1 11 11 ILE HD13 H 1 0.678 0.002 . 1 . . . . . 11 ILE QD1 . 50488 2 128 . 1 . 1 11 11 ILE CA C 13 62.049 0.000 . 1 . . . . . 11 ILE CA . 50488 2 129 . 1 . 1 11 11 ILE CB C 13 38.749 0.048 . 1 . . . . . 11 ILE CB . 50488 2 130 . 1 . 1 11 11 ILE CG1 C 13 27.982 0.064 . 1 . . . . . 11 ILE CG1 . 50488 2 131 . 1 . 1 11 11 ILE CG2 C 13 17.445 0.058 . 1 . . . . . 11 ILE CG2 . 50488 2 132 . 1 . 1 11 11 ILE CD1 C 13 13.131 0.057 . 1 . . . . . 11 ILE CD1 . 50488 2 133 . 1 . 1 12 12 GLN H H 1 8.085 0.001 . 1 . . . . . 12 GLN H . 50488 2 134 . 1 . 1 12 12 GLN HA H 1 4.141 0.003 . 1 . . . . . 12 GLN HA . 50488 2 135 . 1 . 1 12 12 GLN HB2 H 1 1.797 0.001 . 2 . . . . . 12 GLN HB2 . 50488 2 136 . 1 . 1 12 12 GLN HB3 H 1 1.894 0.001 . 2 . . . . . 12 GLN HB3 . 50488 2 137 . 1 . 1 12 12 GLN HG2 H 1 2.127 0.004 . 2 . . . . . 12 GLN HG2 . 50488 2 138 . 1 . 1 12 12 GLN HG3 H 1 2.127 0.004 . 2 . . . . . 12 GLN HG3 . 50488 2 139 . 1 . 1 12 12 GLN HE21 H 1 6.726 0.000 . 2 . . . . . 12 GLN HE21 . 50488 2 140 . 1 . 1 12 12 GLN HE22 H 1 7.149 0.000 . 2 . . . . . 12 GLN HE22 . 50488 2 141 . 1 . 1 12 12 GLN CA C 13 55.973 0.022 . 1 . . . . . 12 GLN CA . 50488 2 142 . 1 . 1 12 12 GLN CB C 13 29.504 0.036 . 1 . . . . . 12 GLN CB . 50488 2 143 . 1 . 1 12 12 GLN CG C 13 33.777 0.025 . 1 . . . . . 12 GLN CG . 50488 2 144 . 1 . 1 13 13 HIS H H 1 8.298 0.003 . 1 . . . . . 13 HIS H . 50488 2 145 . 1 . 1 13 13 HIS HA H 1 4.620 0.003 . 1 . . . . . 13 HIS HA . 50488 2 146 . 1 . 1 13 13 HIS HB2 H 1 3.018 0.003 . 2 . . . . . 13 HIS HB2 . 50488 2 147 . 1 . 1 13 13 HIS HB3 H 1 3.210 0.007 . 2 . . . . . 13 HIS HB3 . 50488 2 148 . 1 . 1 13 13 HIS HD2 H 1 7.173 0.001 . 1 . . . . . 13 HIS HD2 . 50488 2 149 . 1 . 1 13 13 HIS HE1 H 1 8.457 0.001 . 1 . . . . . 13 HIS HE1 . 50488 2 150 . 1 . 1 13 13 HIS CA C 13 55.557 0.000 . 1 . . . . . 13 HIS CA . 50488 2 151 . 1 . 1 13 13 HIS CB C 13 28.846 0.111 . 1 . . . . . 13 HIS CB . 50488 2 152 . 1 . 1 13 13 HIS CD2 C 13 120.122 0.000 . 1 . . . . . 13 HIS CD2 . 50488 2 153 . 1 . 1 13 13 HIS CE1 C 13 136.247 0.000 . 1 . . . . . 13 HIS CE1 . 50488 2 154 . 1 . 1 14 14 ILE H H 1 8.098 0.003 . 1 . . . . . 14 ILE H . 50488 2 155 . 1 . 1 14 14 ILE HA H 1 4.187 0.003 . 1 . . . . . 14 ILE HA . 50488 2 156 . 1 . 1 14 14 ILE HB H 1 1.799 0.002 . 1 . . . . . 14 ILE HB . 50488 2 157 . 1 . 1 14 14 ILE HG12 H 1 1.135 0.002 . 2 . . . . . 14 ILE HG12 . 50488 2 158 . 1 . 1 14 14 ILE HG13 H 1 1.442 0.004 . 2 . . . . . 14 ILE HG13 . 50488 2 159 . 1 . 1 14 14 ILE HG21 H 1 0.865 0.001 . 1 . . . . . 14 ILE QG2 . 50488 2 160 . 1 . 1 14 14 ILE HG22 H 1 0.865 0.001 . 1 . . . . . 14 ILE QG2 . 50488 2 161 . 1 . 1 14 14 ILE HG23 H 1 0.865 0.001 . 1 . . . . . 14 ILE QG2 . 50488 2 162 . 1 . 1 14 14 ILE HD11 H 1 0.830 0.002 . 1 . . . . . 14 ILE QD1 . 50488 2 163 . 1 . 1 14 14 ILE HD12 H 1 0.830 0.002 . 1 . . . . . 14 ILE QD1 . 50488 2 164 . 1 . 1 14 14 ILE HD13 H 1 0.830 0.002 . 1 . . . . . 14 ILE QD1 . 50488 2 165 . 1 . 1 14 14 ILE CA C 13 61.023 0.018 . 1 . . . . . 14 ILE CA . 50488 2 166 . 1 . 1 14 14 ILE CB C 13 39.043 0.043 . 1 . . . . . 14 ILE CB . 50488 2 167 . 1 . 1 14 14 ILE CG1 C 13 27.410 0.042 . 1 . . . . . 14 ILE CG1 . 50488 2 168 . 1 . 1 14 14 ILE CG2 C 13 17.517 0.081 . 1 . . . . . 14 ILE CG2 . 50488 2 169 . 1 . 1 14 14 ILE CD1 C 13 12.956 0.072 . 1 . . . . . 14 ILE CD1 . 50488 2 170 . 1 . 1 15 15 SER H H 1 8.530 0.000 . 1 . . . . . 15 SER H . 50488 2 171 . 1 . 1 15 15 SER HA H 1 4.767 0.000 . 1 . . . . . 15 SER HA . 50488 2 172 . 1 . 1 15 15 SER HB2 H 1 3.834 0.002 . 2 . . . . . 15 SER HB2 . 50488 2 173 . 1 . 1 15 15 SER HB3 H 1 3.882 0.005 . 2 . . . . . 15 SER HB3 . 50488 2 174 . 1 . 1 15 15 SER CA C 13 56.471 0.000 . 1 . . . . . 15 SER CA . 50488 2 175 . 1 . 1 15 15 SER CB C 13 63.445 0.007 . 1 . . . . . 15 SER CB . 50488 2 176 . 1 . 1 16 16 PRO HA H 1 4.427 0.001 . 1 . . . . . 16 PRO HA . 50488 2 177 . 1 . 1 16 16 PRO HB2 H 1 1.928 0.004 . 2 . . . . . 16 PRO HB2 . 50488 2 178 . 1 . 1 16 16 PRO HB3 H 1 2.309 0.002 . 2 . . . . . 16 PRO HB3 . 50488 2 179 . 1 . 1 16 16 PRO HG2 H 1 2.026 0.004 . 2 . . . . . 16 PRO HG2 . 50488 2 180 . 1 . 1 16 16 PRO HG3 H 1 2.026 0.004 . 2 . . . . . 16 PRO HG3 . 50488 2 181 . 1 . 1 16 16 PRO HD2 H 1 3.751 0.001 . 2 . . . . . 16 PRO HD2 . 50488 2 182 . 1 . 1 16 16 PRO HD3 H 1 3.856 0.002 . 2 . . . . . 16 PRO HD3 . 50488 2 183 . 1 . 1 16 16 PRO CA C 13 63.498 0.051 . 1 . . . . . 16 PRO CA . 50488 2 184 . 1 . 1 16 16 PRO CB C 13 32.338 0.053 . 1 . . . . . 16 PRO CB . 50488 2 185 . 1 . 1 16 16 PRO CG C 13 27.505 0.062 . 1 . . . . . 16 PRO CG . 50488 2 186 . 1 . 1 16 16 PRO CD C 13 51.056 0.058 . 1 . . . . . 16 PRO CD . 50488 2 187 . 1 . 1 17 17 ORN H H 1 8.445 0.000 . 1 . . . . . 17 ORN H . 50488 2 188 . 1 . 1 17 17 ORN HA H 1 4.376 0.001 . 1 . . . . . 17 ORN HA . 50488 2 189 . 1 . 1 17 17 ORN HB2 H 1 1.786 0.007 . 2 . . . . . 17 ORN HB2 . 50488 2 190 . 1 . 1 17 17 ORN HB3 H 1 1.890 0.000 . 2 . . . . . 17 ORN HB3 . 50488 2 191 . 1 . 1 17 17 ORN HG2 H 1 1.757 0.001 . 2 . . . . . 17 ORN HG2 . 50488 2 192 . 1 . 1 17 17 ORN HG3 H 1 1.757 0.001 . 2 . . . . . 17 ORN HG3 . 50488 2 193 . 1 . 1 17 17 ORN HD2 H 1 3.029 0.000 . 2 . . . . . 17 ORN HD2 . 50488 2 194 . 1 . 1 17 17 ORN HD3 H 1 3.029 0.000 . 2 . . . . . 17 ORN HD3 . 50488 2 195 . 1 . 1 17 17 ORN CA C 13 56.178 0.026 . 1 . . . . . 17 ORN CA . 50488 2 196 . 1 . 1 17 17 ORN CB C 13 30.673 0.000 . 1 . . . . . 17 ORN CB . 50488 2 197 . 1 . 1 17 17 ORN CG C 13 26.255 0.000 . 1 . . . . . 17 ORN CG . 50488 2 198 . 1 . 1 18 18 THR H H 1 8.137 0.000 . 1 . . . . . 18 THR H . 50488 2 199 . 1 . 1 18 18 THR HA H 1 4.316 0.001 . 1 . . . . . 18 THR HA . 50488 2 200 . 1 . 1 18 18 THR HB H 1 4.169 0.003 . 1 . . . . . 18 THR HB . 50488 2 201 . 1 . 1 18 18 THR HG21 H 1 1.190 0.002 . 1 . . . . . 18 THR QG2 . 50488 2 202 . 1 . 1 18 18 THR HG22 H 1 1.190 0.002 . 1 . . . . . 18 THR QG2 . 50488 2 203 . 1 . 1 18 18 THR HG23 H 1 1.190 0.002 . 1 . . . . . 18 THR QG2 . 50488 2 204 . 1 . 1 18 18 THR CA C 13 62.178 0.011 . 1 . . . . . 18 THR CA . 50488 2 205 . 1 . 1 18 18 THR CB C 13 70.020 0.020 . 1 . . . . . 18 THR CB . 50488 2 206 . 1 . 1 18 18 THR CG2 C 13 21.790 0.023 . 1 . . . . . 18 THR CG2 . 50488 2 207 . 1 . 1 19 19 ILE H H 1 8.208 0.002 . 1 . . . . . 19 ILE H . 50488 2 208 . 1 . 1 19 19 ILE HA H 1 4.140 0.002 . 1 . . . . . 19 ILE HA . 50488 2 209 . 1 . 1 19 19 ILE HB H 1 1.843 0.004 . 1 . . . . . 19 ILE HB . 50488 2 210 . 1 . 1 19 19 ILE HG12 H 1 1.173 0.004 . 2 . . . . . 19 ILE HG12 . 50488 2 211 . 1 . 1 19 19 ILE HG13 H 1 1.468 0.002 . 2 . . . . . 19 ILE HG13 . 50488 2 212 . 1 . 1 19 19 ILE HG21 H 1 0.906 0.003 . 1 . . . . . 19 ILE QG2 . 50488 2 213 . 1 . 1 19 19 ILE HG22 H 1 0.906 0.003 . 1 . . . . . 19 ILE QG2 . 50488 2 214 . 1 . 1 19 19 ILE HG23 H 1 0.906 0.003 . 1 . . . . . 19 ILE QG2 . 50488 2 215 . 1 . 1 19 19 ILE HD11 H 1 0.856 0.002 . 1 . . . . . 19 ILE QD1 . 50488 2 216 . 1 . 1 19 19 ILE HD12 H 1 0.856 0.002 . 1 . . . . . 19 ILE QD1 . 50488 2 217 . 1 . 1 19 19 ILE HD13 H 1 0.856 0.002 . 1 . . . . . 19 ILE QD1 . 50488 2 218 . 1 . 1 19 19 ILE CA C 13 61.258 0.037 . 1 . . . . . 19 ILE CA . 50488 2 219 . 1 . 1 19 19 ILE CB C 13 39.007 0.052 . 1 . . . . . 19 ILE CB . 50488 2 220 . 1 . 1 19 19 ILE CG1 C 13 27.441 0.061 . 1 . . . . . 19 ILE CG1 . 50488 2 221 . 1 . 1 19 19 ILE CG2 C 13 17.553 0.045 . 1 . . . . . 19 ILE CG2 . 50488 2 222 . 1 . 1 19 19 ILE CD1 C 13 13.039 0.043 . 1 . . . . . 19 ILE CD1 . 50488 2 223 . 1 . 1 20 20 ALA H H 1 8.335 0.001 . 1 . . . . . 20 ALA H . 50488 2 224 . 1 . 1 20 20 ALA HA H 1 4.316 0.002 . 1 . . . . . 20 ALA HA . 50488 2 225 . 1 . 1 20 20 ALA HB1 H 1 1.372 0.003 . 1 . . . . . 20 ALA HB# . 50488 2 226 . 1 . 1 20 20 ALA HB2 H 1 1.372 0.003 . 1 . . . . . 20 ALA HB# . 50488 2 227 . 1 . 1 20 20 ALA HB3 H 1 1.372 0.003 . 1 . . . . . 20 ALA HB# . 50488 2 228 . 1 . 1 20 20 ALA CA C 13 52.550 0.002 . 1 . . . . . 20 ALA CA . 50488 2 229 . 1 . 1 20 20 ALA CB C 13 19.279 0.058 . 1 . . . . . 20 ALA CB . 50488 2 230 . 1 . 1 21 21 MET H H 1 8.310 0.002 . 1 . . . . . 21 MET H . 50488 2 231 . 1 . 1 21 21 MET HA H 1 4.420 0.003 . 1 . . . . . 21 MET HA . 50488 2 232 . 1 . 1 21 21 MET HB2 H 1 2.007 0.005 . 2 . . . . . 21 MET HB2 . 50488 2 233 . 1 . 1 21 21 MET HB3 H 1 2.054 0.003 . 2 . . . . . 21 MET HB3 . 50488 2 234 . 1 . 1 21 21 MET HG2 H 1 2.558 0.007 . 2 . . . . . 21 MET HG2 . 50488 2 235 . 1 . 1 21 21 MET HG3 H 1 2.608 0.001 . 2 . . . . . 21 MET HG3 . 50488 2 236 . 1 . 1 21 21 MET HE1 H 1 2.094 0.001 . 1 . . . . . 21 MET HE# . 50488 2 237 . 1 . 1 21 21 MET HE2 H 1 2.094 0.001 . 1 . . . . . 21 MET HE# . 50488 2 238 . 1 . 1 21 21 MET HE3 H 1 2.094 0.001 . 1 . . . . . 21 MET HE# . 50488 2 239 . 1 . 1 21 21 MET CA C 13 55.659 0.025 . 1 . . . . . 21 MET CA . 50488 2 240 . 1 . 1 21 21 MET CB C 13 33.211 0.028 . 1 . . . . . 21 MET CB . 50488 2 241 . 1 . 1 21 21 MET CG C 13 32.111 0.056 . 1 . . . . . 21 MET CG . 50488 2 242 . 1 . 1 21 21 MET CE C 13 17.106 0.041 . 1 . . . . . 21 MET CE . 50488 2 243 . 1 . 1 22 22 ORN H H 1 8.357 0.001 . 1 . . . . . 22 ORN H . 50488 2 244 . 1 . 1 22 22 ORN HA H 1 4.323 0.004 . 1 . . . . . 22 ORN HA . 50488 2 245 . 1 . 1 22 22 ORN HB2 H 1 1.758 0.000 . 2 . . . . . 22 ORN HB2 . 50488 2 246 . 1 . 1 22 22 ORN HB3 H 1 1.860 0.004 . 2 . . . . . 22 ORN HB3 . 50488 2 247 . 1 . 1 22 22 ORN HG2 H 1 1.731 0.001 . 2 . . . . . 22 ORN HG2 . 50488 2 248 . 1 . 1 22 22 ORN HG3 H 1 1.731 0.001 . 2 . . . . . 22 ORN HG3 . 50488 2 249 . 1 . 1 22 22 ORN HD2 H 1 3.020 0.000 . 2 . . . . . 22 ORN HD2 . 50488 2 250 . 1 . 1 22 22 ORN HD3 H 1 3.020 0.000 . 2 . . . . . 22 ORN HD3 . 50488 2 251 . 1 . 1 22 22 ORN CA C 13 55.986 0.006 . 1 . . . . . 22 ORN CA . 50488 2 252 . 1 . 1 22 22 ORN CB C 13 30.765 0.064 . 1 . . . . . 22 ORN CB . 50488 2 253 . 1 . 1 22 22 ORN CG C 13 26.201 0.000 . 1 . . . . . 22 ORN CG . 50488 2 254 . 1 . 1 23 23 ALA H H 1 8.335 0.001 . 1 . . . . . 23 ALA H . 50488 2 255 . 1 . 1 23 23 ALA HA H 1 4.315 0.001 . 1 . . . . . 23 ALA HA . 50488 2 256 . 1 . 1 23 23 ALA HB1 H 1 1.372 0.003 . 1 . . . . . 23 ALA HB# . 50488 2 257 . 1 . 1 23 23 ALA HB2 H 1 1.372 0.003 . 1 . . . . . 23 ALA HB# . 50488 2 258 . 1 . 1 23 23 ALA HB3 H 1 1.372 0.003 . 1 . . . . . 23 ALA HB# . 50488 2 259 . 1 . 1 23 23 ALA CA C 13 52.567 0.015 . 1 . . . . . 23 ALA CA . 50488 2 260 . 1 . 1 23 23 ALA CB C 13 19.279 0.058 . 1 . . . . . 23 ALA CB . 50488 2 261 . 1 . 1 24 24 ILE H H 1 8.157 0.000 . 1 . . . . . 24 ILE H . 50488 2 262 . 1 . 1 24 24 ILE HA H 1 4.121 0.002 . 1 . . . . . 24 ILE HA . 50488 2 263 . 1 . 1 24 24 ILE HB H 1 1.835 0.005 . 1 . . . . . 24 ILE HB . 50488 2 264 . 1 . 1 24 24 ILE HG12 H 1 1.172 0.004 . 2 . . . . . 24 ILE HG12 . 50488 2 265 . 1 . 1 24 24 ILE HG13 H 1 1.468 0.002 . 2 . . . . . 24 ILE HG13 . 50488 2 266 . 1 . 1 24 24 ILE HG21 H 1 0.883 0.002 . 1 . . . . . 24 ILE QG2 . 50488 2 267 . 1 . 1 24 24 ILE HG22 H 1 0.883 0.002 . 1 . . . . . 24 ILE QG2 . 50488 2 268 . 1 . 1 24 24 ILE HG23 H 1 0.883 0.002 . 1 . . . . . 24 ILE QG2 . 50488 2 269 . 1 . 1 24 24 ILE HD11 H 1 0.855 0.002 . 1 . . . . . 24 ILE QD1 . 50488 2 270 . 1 . 1 24 24 ILE HD12 H 1 0.855 0.002 . 1 . . . . . 24 ILE QD1 . 50488 2 271 . 1 . 1 24 24 ILE HD13 H 1 0.855 0.002 . 1 . . . . . 24 ILE QD1 . 50488 2 272 . 1 . 1 24 24 ILE CA C 13 61.258 0.037 . 1 . . . . . 24 ILE CA . 50488 2 273 . 1 . 1 24 24 ILE CB C 13 39.005 0.053 . 1 . . . . . 24 ILE CB . 50488 2 274 . 1 . 1 24 24 ILE CG1 C 13 27.441 0.061 . 1 . . . . . 24 ILE CG1 . 50488 2 275 . 1 . 1 24 24 ILE CG2 C 13 17.622 0.031 . 1 . . . . . 24 ILE CG2 . 50488 2 276 . 1 . 1 24 24 ILE CD1 C 13 13.036 0.046 . 1 . . . . . 24 ILE CD1 . 50488 2 277 . 1 . 1 25 25 ASN H H 1 8.447 0.001 . 1 . . . . . 25 ASN H . 50488 2 278 . 1 . 1 25 25 ASN HA H 1 4.672 0.001 . 1 . . . . . 25 ASN HA . 50488 2 279 . 1 . 1 25 25 ASN HB2 H 1 2.683 0.004 . 2 . . . . . 25 ASN HB2 . 50488 2 280 . 1 . 1 25 25 ASN HB3 H 1 2.724 0.003 . 2 . . . . . 25 ASN HB3 . 50488 2 281 . 1 . 1 25 25 ASN HD21 H 1 6.890 0.000 . 2 . . . . . 25 ASN HD21 . 50488 2 282 . 1 . 1 25 25 ASN HD22 H 1 7.551 0.000 . 2 . . . . . 25 ASN HD22 . 50488 2 283 . 1 . 1 25 25 ASN CA C 13 53.183 0.000 . 1 . . . . . 25 ASN CA . 50488 2 284 . 1 . 1 25 25 ASN CB C 13 39.041 0.037 . 1 . . . . . 25 ASN CB . 50488 2 285 . 1 . 1 26 26 ASN H H 1 8.347 0.001 . 1 . . . . . 26 ASN H . 50488 2 286 . 1 . 1 26 26 ASN HA H 1 4.671 0.002 . 1 . . . . . 26 ASN HA . 50488 2 287 . 1 . 1 26 26 ASN HB2 H 1 2.671 0.006 . 2 . . . . . 26 ASN HB2 . 50488 2 288 . 1 . 1 26 26 ASN HB3 H 1 2.741 0.003 . 2 . . . . . 26 ASN HB3 . 50488 2 289 . 1 . 1 26 26 ASN HD21 H 1 6.841 0.000 . 2 . . . . . 26 ASN HD21 . 50488 2 290 . 1 . 1 26 26 ASN HD22 H 1 7.516 0.000 . 2 . . . . . 26 ASN HD22 . 50488 2 291 . 1 . 1 26 26 ASN CA C 13 53.183 0.000 . 1 . . . . . 26 ASN CA . 50488 2 292 . 1 . 1 26 26 ASN CB C 13 38.859 0.025 . 1 . . . . . 26 ASN CB . 50488 2 293 . 1 . 1 27 27 TYR H H 1 8.108 0.001 . 1 . . . . . 27 TYR H . 50488 2 294 . 1 . 1 27 27 TYR HA H 1 4.448 0.003 . 1 . . . . . 27 TYR HA . 50488 2 295 . 1 . 1 27 27 TYR HB2 H 1 2.900 0.002 . 2 . . . . . 27 TYR HB2 . 50488 2 296 . 1 . 1 27 27 TYR HB3 H 1 2.900 0.002 . 2 . . . . . 27 TYR HB3 . 50488 2 297 . 1 . 1 27 27 TYR HD1 H 1 7.032 0.001 . 1 . . . . . 27 TYR HD1 . 50488 2 298 . 1 . 1 27 27 TYR HD2 H 1 7.032 0.001 . 1 . . . . . 27 TYR HD2 . 50488 2 299 . 1 . 1 27 27 TYR HE1 H 1 6.793 0.002 . 1 . . . . . 27 TYR HE1 . 50488 2 300 . 1 . 1 27 27 TYR HE2 H 1 6.793 0.002 . 1 . . . . . 27 TYR HE2 . 50488 2 301 . 1 . 1 27 27 TYR CA C 13 58.380 0.007 . 1 . . . . . 27 TYR CA . 50488 2 302 . 1 . 1 27 27 TYR CB C 13 38.617 0.040 . 1 . . . . . 27 TYR CB . 50488 2 303 . 1 . 1 27 27 TYR CD1 C 13 133.264 0.000 . 1 . . . . . 27 TYR CD1 . 50488 2 304 . 1 . 1 27 27 TYR CD2 C 13 133.264 0.000 . 1 . . . . . 27 TYR CD2 . 50488 2 305 . 1 . 1 27 27 TYR CE1 C 13 118.341 0.000 . 1 . . . . . 27 TYR CE1 . 50488 2 306 . 1 . 1 27 27 TYR CE2 C 13 118.341 0.000 . 1 . . . . . 27 TYR CE2 . 50488 2 307 . 1 . 1 28 28 ORN H H 1 8.084 0.001 . 1 . . . . . 28 ORN H . 50488 2 308 . 1 . 1 28 28 ORN HA H 1 4.255 0.004 . 1 . . . . . 28 ORN HA . 50488 2 309 . 1 . 1 28 28 ORN HB2 H 1 1.636 0.003 . 2 . . . . . 28 ORN HB2 . 50488 2 310 . 1 . 1 28 28 ORN HB3 H 1 1.730 0.001 . 2 . . . . . 28 ORN HB3 . 50488 2 311 . 1 . 1 28 28 ORN HG2 H 1 1.575 0.003 . 2 . . . . . 28 ORN HG2 . 50488 2 312 . 1 . 1 28 28 ORN HG3 H 1 1.575 0.003 . 2 . . . . . 28 ORN HG3 . 50488 2 313 . 1 . 1 28 28 ORN HD2 H 1 2.953 0.004 . 2 . . . . . 28 ORN HD2 . 50488 2 314 . 1 . 1 28 28 ORN HD3 H 1 2.953 0.004 . 2 . . . . . 28 ORN HD3 . 50488 2 315 . 1 . 1 28 28 ORN HE1 H 1 7.550 0.000 . 2 . . . . . 28 ORN QE . 50488 2 316 . 1 . 1 28 28 ORN HE2 H 1 7.550 0.000 . 2 . . . . . 28 ORN QE . 50488 2 317 . 1 . 1 28 28 ORN CA C 13 55.745 0.008 . 1 . . . . . 28 ORN CA . 50488 2 318 . 1 . 1 28 28 ORN CB C 13 30.603 0.040 . 1 . . . . . 28 ORN CB . 50488 2 319 . 1 . 1 28 28 ORN CG C 13 26.041 0.000 . 1 . . . . . 28 ORN CG . 50488 2 320 . 1 . 1 28 28 ORN CD C 13 41.875 0.000 . 1 . . . . . 28 ORN CD . 50488 2 321 . 1 . 1 29 29 TRP H H 1 8.079 0.000 . 1 . . . . . 29 TRP H . 50488 2 322 . 1 . 1 29 29 TRP HA H 1 4.552 0.002 . 1 . . . . . 29 TRP HA . 50488 2 323 . 1 . 1 29 29 TRP HB2 H 1 3.265 0.002 . 2 . . . . . 29 TRP HB2 . 50488 2 324 . 1 . 1 29 29 TRP HB3 H 1 3.265 0.002 . 2 . . . . . 29 TRP HB3 . 50488 2 325 . 1 . 1 29 29 TRP HD1 H 1 7.273 0.001 . 1 . . . . . 29 TRP HD1 . 50488 2 326 . 1 . 1 29 29 TRP HE1 H 1 10.155 0.000 . 1 . . . . . 29 TRP HE1 . 50488 2 327 . 1 . 1 29 29 TRP HE3 H 1 7.646 0.000 . 1 . . . . . 29 TRP HE3 . 50488 2 328 . 1 . 1 29 29 TRP HZ2 H 1 7.467 0.000 . 1 . . . . . 29 TRP HZ2 . 50488 2 329 . 1 . 1 29 29 TRP HZ3 H 1 7.168 0.000 . 1 . . . . . 29 TRP HZ3 . 50488 2 330 . 1 . 1 29 29 TRP HH2 H 1 7.229 0.000 . 1 . . . . . 29 TRP HH2 . 50488 2 331 . 1 . 1 29 29 TRP CA C 13 57.782 0.000 . 1 . . . . . 29 TRP CA . 50488 2 332 . 1 . 1 29 29 TRP CB C 13 29.660 0.034 . 1 . . . . . 29 TRP CB . 50488 2 333 . 1 . 1 29 29 TRP CD1 C 13 127.503 0.000 . 1 . . . . . 29 TRP CD1 . 50488 2 334 . 1 . 1 29 29 TRP CE3 C 13 121.158 0.000 . 1 . . . . . 29 TRP CE3 . 50488 2 335 . 1 . 1 29 29 TRP CZ2 C 13 114.813 0.000 . 1 . . . . . 29 TRP CZ2 . 50488 2 336 . 1 . 1 29 29 TRP CZ3 C 13 122.299 0.000 . 1 . . . . . 29 TRP CZ3 . 50488 2 337 . 1 . 1 29 29 TRP CH2 C 13 124.842 0.000 . 1 . . . . . 29 TRP CH2 . 50488 2 338 . 1 . 1 30 30 ORN H H 1 8.063 0.001 . 1 . . . . . 30 ORN H . 50488 2 339 . 1 . 1 30 30 ORN HA H 1 4.155 0.003 . 1 . . . . . 30 ORN HA . 50488 2 340 . 1 . 1 30 30 ORN HB2 H 1 1.565 0.003 . 2 . . . . . 30 ORN HB2 . 50488 2 341 . 1 . 1 30 30 ORN HB3 H 1 1.757 0.002 . 2 . . . . . 30 ORN HB3 . 50488 2 342 . 1 . 1 30 30 ORN HG2 H 1 1.550 0.001 . 2 . . . . . 30 ORN HG2 . 50488 2 343 . 1 . 1 30 30 ORN HG3 H 1 1.550 0.001 . 2 . . . . . 30 ORN HG3 . 50488 2 344 . 1 . 1 30 30 ORN HD2 H 1 2.925 0.003 . 2 . . . . . 30 ORN HD2 . 50488 2 345 . 1 . 1 30 30 ORN HD3 H 1 2.925 0.003 . 2 . . . . . 30 ORN HD3 . 50488 2 346 . 1 . 1 30 30 ORN HE1 H 1 7.528 0.000 . 2 . . . . . 30 ORN QE . 50488 2 347 . 1 . 1 30 30 ORN HE2 H 1 7.528 0.000 . 2 . . . . . 30 ORN QE . 50488 2 348 . 1 . 1 30 30 ORN CA C 13 55.613 0.001 . 1 . . . . . 30 ORN CA . 50488 2 349 . 1 . 1 30 30 ORN CB C 13 30.779 0.044 . 1 . . . . . 30 ORN CB . 50488 2 350 . 1 . 1 30 30 ORN CG C 13 25.974 0.000 . 1 . . . . . 30 ORN CG . 50488 2 351 . 1 . 1 30 30 ORN CD C 13 41.877 0.000 . 1 . . . . . 30 ORN CD . 50488 2 352 . 1 . 1 31 31 NH2 HN1 H 1 6.814 0.001 . 2 . . . . . 31 NH2 HN1 . 50488 2 353 . 1 . 1 31 31 NH2 HN2 H 1 6.881 0.000 . 2 . . . . . 31 NH2 HN2 . 50488 2 stop_ save_