################################### # 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 50490 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 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' . . . 50490 1 3 '2D 1H-1H TOCSY' . . . 50490 1 4 '2D 1H-1H NOESY' . . . 50490 1 5 '2D 1H-13C HSQC aliphatic' . . . 50490 1 6 '2D 1H-13C HSQC aromatic' . . . 50490 1 8 '2D 1H-1H TOCSY' . . . 50490 1 9 '2D 1H-1H NOESY' . . . 50490 1 10 '2D 1H-13C HSQC aliphatic' . . . 50490 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 . . 50490 1 2 $software_2 . . 50490 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 ARG HA H 1 4.313 0.004 . 1 . . . . . 1 ARG HA . 50490 1 2 . 1 . 1 1 1 ARG HB2 H 1 1.918 0.005 . 2 . . . . . 1 ARG HB2 . 50490 1 3 . 1 . 1 1 1 ARG HB3 H 1 1.918 0.005 . 2 . . . . . 1 ARG HB3 . 50490 1 4 . 1 . 1 1 1 ARG HG2 H 1 1.675 0.005 . 2 . . . . . 1 ARG HG2 . 50490 1 5 . 1 . 1 1 1 ARG HG3 H 1 1.675 0.005 . 2 . . . . . 1 ARG HG3 . 50490 1 6 . 1 . 1 1 1 ARG HD2 H 1 3.171 0.004 . 2 . . . . . 1 ARG HD2 . 50490 1 7 . 1 . 1 1 1 ARG HD3 H 1 3.171 0.004 . 2 . . . . . 1 ARG HD3 . 50490 1 8 . 1 . 1 1 1 ARG HE H 1 7.401 0.002 . 1 . . . . . 1 ARG HE . 50490 1 9 . 1 . 1 1 1 ARG CA C 13 53.956 0.081 . 1 . . . . . 1 ARG CA . 50490 1 10 . 1 . 1 1 1 ARG CB C 13 29.754 0.044 . 1 . . . . . 1 ARG CB . 50490 1 11 . 1 . 1 1 1 ARG CG C 13 25.954 0.016 . 1 . . . . . 1 ARG CG . 50490 1 12 . 1 . 1 1 1 ARG CD C 13 43.270 0.066 . 1 . . . . . 1 ARG CD . 50490 1 13 . 1 . 1 2 2 PRO HA H 1 4.509 0.004 . 1 . . . . . 2 PRO HA . 50490 1 14 . 1 . 1 2 2 PRO HB2 H 1 1.761 0.005 . 2 . . . . . 2 PRO HB2 . 50490 1 15 . 1 . 1 2 2 PRO HB3 H 1 2.228 0.004 . 2 . . . . . 2 PRO HB3 . 50490 1 16 . 1 . 1 2 2 PRO HG2 H 1 1.897 0.002 . 2 . . . . . 2 PRO HG2 . 50490 1 17 . 1 . 1 2 2 PRO HG3 H 1 1.948 0.004 . 2 . . . . . 2 PRO HG3 . 50490 1 18 . 1 . 1 2 2 PRO HD2 H 1 3.534 0.004 . 2 . . . . . 2 PRO HD2 . 50490 1 19 . 1 . 1 2 2 PRO HD3 H 1 3.717 0.009 . 2 . . . . . 2 PRO HD3 . 50490 1 20 . 1 . 1 2 2 PRO CA C 13 63.349 0.000 . 1 . . . . . 2 PRO CA . 50490 1 21 . 1 . 1 2 2 PRO CB C 13 32.052 0.031 . 1 . . . . . 2 PRO CB . 50490 1 22 . 1 . 1 2 2 PRO CG C 13 27.298 0.015 . 1 . . . . . 2 PRO CG . 50490 1 23 . 1 . 1 2 2 PRO CD C 13 50.513 0.008 . 1 . . . . . 2 PRO CD . 50490 1 24 . 1 . 1 3 3 PHE H H 1 8.279 0.002 . 1 . . . . . 3 PHE H . 50490 1 25 . 1 . 1 3 3 PHE HA H 1 4.907 0.005 . 1 . . . . . 3 PHE HA . 50490 1 26 . 1 . 1 3 3 PHE HB2 H 1 2.970 0.008 . 2 . . . . . 3 PHE HB2 . 50490 1 27 . 1 . 1 3 3 PHE HB3 H 1 3.156 0.003 . 2 . . . . . 3 PHE HB3 . 50490 1 28 . 1 . 1 3 3 PHE HD1 H 1 7.210 0.001 . 1 . . . . . 3 PHE HD1 . 50490 1 29 . 1 . 1 3 3 PHE HD2 H 1 7.210 0.001 . 1 . . . . . 3 PHE HD2 . 50490 1 30 . 1 . 1 3 3 PHE HE1 H 1 7.209 0.002 . 1 . . . . . 3 PHE HE1 . 50490 1 31 . 1 . 1 3 3 PHE HE2 H 1 7.209 0.002 . 1 . . . . . 3 PHE HE2 . 50490 1 32 . 1 . 1 3 3 PHE HZ H 1 7.121 0.007 . 1 . . . . . 3 PHE HZ . 50490 1 33 . 1 . 1 3 3 PHE CA C 13 57.343 0.000 . 1 . . . . . 3 PHE CA . 50490 1 34 . 1 . 1 3 3 PHE CB C 13 39.941 0.050 . 1 . . . . . 3 PHE CB . 50490 1 35 . 1 . 1 3 3 PHE CD1 C 13 131.998 0.020 . 1 . . . . . 3 PHE CD1 . 50490 1 36 . 1 . 1 3 3 PHE CD2 C 13 131.998 0.020 . 1 . . . . . 3 PHE CD2 . 50490 1 37 . 1 . 1 3 3 PHE CE1 C 13 130.967 0.024 . 1 . . . . . 3 PHE CE1 . 50490 1 38 . 1 . 1 3 3 PHE CE2 C 13 130.967 0.024 . 1 . . . . . 3 PHE CE2 . 50490 1 39 . 1 . 1 3 3 PHE CZ C 13 129.026 0.048 . 1 . . . . . 3 PHE CZ . 50490 1 40 . 1 . 1 4 4 THR H H 1 8.384 0.002 . 1 . . . . . 4 THR H . 50490 1 41 . 1 . 1 4 4 THR HA H 1 4.554 0.006 . 1 . . . . . 4 THR HA . 50490 1 42 . 1 . 1 4 4 THR HB H 1 4.602 0.005 . 1 . . . . . 4 THR HB . 50490 1 43 . 1 . 1 4 4 THR HG21 H 1 1.264 0.006 . 1 . . . . . 4 THR QG2 . 50490 1 44 . 1 . 1 4 4 THR HG22 H 1 1.264 0.006 . 1 . . . . . 4 THR QG2 . 50490 1 45 . 1 . 1 4 4 THR HG23 H 1 1.264 0.006 . 1 . . . . . 4 THR QG2 . 50490 1 46 . 1 . 1 4 4 THR CA C 13 60.659 0.000 . 1 . . . . . 4 THR CA . 50490 1 47 . 1 . 1 4 4 THR CB C 13 71.116 0.000 . 1 . . . . . 4 THR CB . 50490 1 48 . 1 . 1 4 4 THR CG2 C 13 22.140 0.029 . 1 . . . . . 4 THR CG2 . 50490 1 49 . 1 . 1 5 5 ARG H H 1 8.906 0.001 . 1 . . . . . 5 ARG H . 50490 1 50 . 1 . 1 5 5 ARG HA H 1 4.099 0.005 . 1 . . . . . 5 ARG HA . 50490 1 51 . 1 . 1 5 5 ARG HB2 H 1 1.896 0.005 . 2 . . . . . 5 ARG HB2 . 50490 1 52 . 1 . 1 5 5 ARG HB3 H 1 1.896 0.005 . 2 . . . . . 5 ARG HB3 . 50490 1 53 . 1 . 1 5 5 ARG HG2 H 1 1.665 0.004 . 2 . . . . . 5 ARG HG2 . 50490 1 54 . 1 . 1 5 5 ARG HG3 H 1 1.770 0.006 . 2 . . . . . 5 ARG HG3 . 50490 1 55 . 1 . 1 5 5 ARG HD2 H 1 3.235 0.002 . 2 . . . . . 5 ARG HD2 . 50490 1 56 . 1 . 1 5 5 ARG HD3 H 1 3.235 0.002 . 2 . . . . . 5 ARG HD3 . 50490 1 57 . 1 . 1 5 5 ARG HE H 1 7.504 0.004 . 1 . . . . . 5 ARG HE . 50490 1 58 . 1 . 1 5 5 ARG CA C 13 59.165 0.000 . 1 . . . . . 5 ARG CA . 50490 1 59 . 1 . 1 5 5 ARG CB C 13 29.948 0.062 . 1 . . . . . 5 ARG CB . 50490 1 60 . 1 . 1 5 5 ARG CG C 13 27.657 0.010 . 1 . . . . . 5 ARG CG . 50490 1 61 . 1 . 1 5 5 ARG CD C 13 43.388 0.079 . 1 . . . . . 5 ARG CD . 50490 1 62 . 1 . 1 6 6 ALA H H 1 8.379 0.003 . 1 . . . . . 6 ALA H . 50490 1 63 . 1 . 1 6 6 ALA HA H 1 4.216 0.006 . 1 . . . . . 6 ALA HA . 50490 1 64 . 1 . 1 6 6 ALA HB1 H 1 1.439 0.005 . 1 . . . . . 6 ALA HB# . 50490 1 65 . 1 . 1 6 6 ALA HB2 H 1 1.439 0.005 . 1 . . . . . 6 ALA HB# . 50490 1 66 . 1 . 1 6 6 ALA HB3 H 1 1.439 0.005 . 1 . . . . . 6 ALA HB# . 50490 1 67 . 1 . 1 6 6 ALA CA C 13 54.675 0.000 . 1 . . . . . 6 ALA CA . 50490 1 68 . 1 . 1 6 6 ALA CB C 13 18.485 0.030 . 1 . . . . . 6 ALA CB . 50490 1 69 . 1 . 1 7 7 GLN H H 1 7.923 0.003 . 1 . . . . . 7 GLN H . 50490 1 70 . 1 . 1 7 7 GLN HA H 1 4.089 0.004 . 1 . . . . . 7 GLN HA . 50490 1 71 . 1 . 1 7 7 GLN HB2 H 1 1.881 0.004 . 2 . . . . . 7 GLN HB2 . 50490 1 72 . 1 . 1 7 7 GLN HB3 H 1 2.361 0.004 . 2 . . . . . 7 GLN HB3 . 50490 1 73 . 1 . 1 7 7 GLN HG2 H 1 2.367 0.004 . 2 . . . . . 7 GLN HG2 . 50490 1 74 . 1 . 1 7 7 GLN HG3 H 1 2.458 0.004 . 2 . . . . . 7 GLN HG3 . 50490 1 75 . 1 . 1 7 7 GLN HE21 H 1 6.876 0.003 . 2 . . . . . 7 GLN HE21 . 50490 1 76 . 1 . 1 7 7 GLN HE22 H 1 7.579 0.004 . 2 . . . . . 7 GLN HE22 . 50490 1 77 . 1 . 1 7 7 GLN CA C 13 58.512 0.000 . 1 . . . . . 7 GLN CA . 50490 1 78 . 1 . 1 7 7 GLN CG C 13 34.679 0.063 . 1 . . . . . 7 GLN CG . 50490 1 79 . 1 . 1 8 8 TRP H H 1 8.178 0.007 . 1 . . . . . 8 TRP H . 50490 1 80 . 1 . 1 8 8 TRP HA H 1 4.436 0.007 . 1 . . . . . 8 TRP HA . 50490 1 81 . 1 . 1 8 8 TRP HB2 H 1 3.249 0.004 . 2 . . . . . 8 TRP HB2 . 50490 1 82 . 1 . 1 8 8 TRP HB3 H 1 3.324 0.005 . 2 . . . . . 8 TRP HB3 . 50490 1 83 . 1 . 1 8 8 TRP HD1 H 1 7.018 0.003 . 1 . . . . . 8 TRP HD1 . 50490 1 84 . 1 . 1 8 8 TRP HE1 H 1 10.473 0.001 . 1 . . . . . 8 TRP HE1 . 50490 1 85 . 1 . 1 8 8 TRP HE3 H 1 7.309 0.005 . 1 . . . . . 8 TRP HE3 . 50490 1 86 . 1 . 1 8 8 TRP HZ2 H 1 7.461 0.005 . 1 . . . . . 8 TRP HZ2 . 50490 1 87 . 1 . 1 8 8 TRP HZ3 H 1 6.867 0.004 . 1 . . . . . 8 TRP HZ3 . 50490 1 88 . 1 . 1 8 8 TRP HH2 H 1 7.045 0.003 . 1 . . . . . 8 TRP HH2 . 50490 1 89 . 1 . 1 8 8 TRP CA C 13 59.543 0.000 . 1 . . . . . 8 TRP CA . 50490 1 90 . 1 . 1 8 8 TRP CD1 C 13 127.141 0.088 . 1 . . . . . 8 TRP CD1 . 50490 1 91 . 1 . 1 8 8 TRP CE3 C 13 120.882 0.027 . 1 . . . . . 8 TRP CE3 . 50490 1 92 . 1 . 1 8 8 TRP CZ2 C 13 114.585 0.151 . 1 . . . . . 8 TRP CZ2 . 50490 1 93 . 1 . 1 8 8 TRP CZ3 C 13 121.180 0.024 . 1 . . . . . 8 TRP CZ3 . 50490 1 94 . 1 . 1 8 8 TRP CH2 C 13 123.824 0.028 . 1 . . . . . 8 TRP CH2 . 50490 1 95 . 1 . 1 9 9 PHE H H 1 8.206 0.003 . 1 . . . . . 9 PHE H . 50490 1 96 . 1 . 1 9 9 PHE HA H 1 4.221 0.005 . 1 . . . . . 9 PHE HA . 50490 1 97 . 1 . 1 9 9 PHE HB2 H 1 3.148 0.004 . 2 . . . . . 9 PHE HB2 . 50490 1 98 . 1 . 1 9 9 PHE HB3 H 1 3.219 0.005 . 2 . . . . . 9 PHE HB3 . 50490 1 99 . 1 . 1 9 9 PHE HD1 H 1 7.298 0.004 . 1 . . . . . 9 PHE HD1 . 50490 1 100 . 1 . 1 9 9 PHE HD2 H 1 7.298 0.004 . 1 . . . . . 9 PHE HD2 . 50490 1 101 . 1 . 1 9 9 PHE HE1 H 1 7.304 0.004 . 1 . . . . . 9 PHE HE1 . 50490 1 102 . 1 . 1 9 9 PHE HE2 H 1 7.304 0.004 . 1 . . . . . 9 PHE HE2 . 50490 1 103 . 1 . 1 9 9 PHE HZ H 1 7.208 0.004 . 1 . . . . . 9 PHE HZ . 50490 1 104 . 1 . 1 9 9 PHE CA C 13 60.157 0.000 . 1 . . . . . 9 PHE CA . 50490 1 105 . 1 . 1 9 9 PHE CB C 13 38.742 0.003 . 1 . . . . . 9 PHE CB . 50490 1 106 . 1 . 1 9 9 PHE CD1 C 13 131.894 0.023 . 1 . . . . . 9 PHE CD1 . 50490 1 107 . 1 . 1 9 9 PHE CD2 C 13 131.894 0.023 . 1 . . . . . 9 PHE CD2 . 50490 1 108 . 1 . 1 9 9 PHE CE1 C 13 131.339 0.026 . 1 . . . . . 9 PHE CE1 . 50490 1 109 . 1 . 1 9 9 PHE CE2 C 13 131.339 0.026 . 1 . . . . . 9 PHE CE2 . 50490 1 110 . 1 . 1 9 9 PHE CZ C 13 129.704 0.040 . 1 . . . . . 9 PHE CZ . 50490 1 111 . 1 . 1 10 10 ALA H H 1 7.846 0.001 . 1 . . . . . 10 ALA H . 50490 1 112 . 1 . 1 10 10 ALA HA H 1 4.175 0.005 . 1 . . . . . 10 ALA HA . 50490 1 113 . 1 . 1 10 10 ALA HB1 H 1 1.528 0.003 . 1 . . . . . 10 ALA HB# . 50490 1 114 . 1 . 1 10 10 ALA HB2 H 1 1.528 0.003 . 1 . . . . . 10 ALA HB# . 50490 1 115 . 1 . 1 10 10 ALA HB3 H 1 1.528 0.003 . 1 . . . . . 10 ALA HB# . 50490 1 116 . 1 . 1 10 10 ALA CA C 13 54.498 0.000 . 1 . . . . . 10 ALA CA . 50490 1 117 . 1 . 1 10 10 ALA CB C 13 18.582 0.015 . 1 . . . . . 10 ALA CB . 50490 1 118 . 1 . 1 11 11 ILE H H 1 7.814 0.002 . 1 . . . . . 11 ILE H . 50490 1 119 . 1 . 1 11 11 ILE HA H 1 3.834 0.014 . 1 . . . . . 11 ILE HA . 50490 1 120 . 1 . 1 11 11 ILE HB H 1 1.870 0.007 . 1 . . . . . 11 ILE HB . 50490 1 121 . 1 . 1 11 11 ILE HG12 H 1 1.136 0.006 . 2 . . . . . 11 ILE HG12 . 50490 1 122 . 1 . 1 11 11 ILE HG13 H 1 1.541 0.004 . 2 . . . . . 11 ILE HG13 . 50490 1 123 . 1 . 1 11 11 ILE HG21 H 1 0.816 0.005 . 1 . . . . . 11 ILE QG2 . 50490 1 124 . 1 . 1 11 11 ILE HG22 H 1 0.816 0.005 . 1 . . . . . 11 ILE QG2 . 50490 1 125 . 1 . 1 11 11 ILE HG23 H 1 0.816 0.005 . 1 . . . . . 11 ILE QG2 . 50490 1 126 . 1 . 1 11 11 ILE HD11 H 1 0.674 0.008 . 1 . . . . . 11 ILE QD1 . 50490 1 127 . 1 . 1 11 11 ILE HD12 H 1 0.674 0.008 . 1 . . . . . 11 ILE QD1 . 50490 1 128 . 1 . 1 11 11 ILE HD13 H 1 0.674 0.008 . 1 . . . . . 11 ILE QD1 . 50490 1 129 . 1 . 1 11 11 ILE CA C 13 63.282 0.099 . 1 . . . . . 11 ILE CA . 50490 1 130 . 1 . 1 11 11 ILE CB C 13 38.204 0.002 . 1 . . . . . 11 ILE CB . 50490 1 131 . 1 . 1 11 11 ILE CG1 C 13 28.722 0.006 . 1 . . . . . 11 ILE CG1 . 50490 1 132 . 1 . 1 11 11 ILE CG2 C 13 17.797 0.012 . 1 . . . . . 11 ILE CG2 . 50490 1 133 . 1 . 1 11 11 ILE CD1 C 13 13.736 0.021 . 1 . . . . . 11 ILE CD1 . 50490 1 134 . 1 . 1 12 12 GLN H H 1 7.660 0.004 . 1 . . . . . 12 GLN H . 50490 1 135 . 1 . 1 12 12 GLN HA H 1 3.842 0.003 . 1 . . . . . 12 GLN HA . 50490 1 136 . 1 . 1 12 12 GLN HB2 H 1 1.720 0.005 . 2 . . . . . 12 GLN HB2 . 50490 1 137 . 1 . 1 12 12 GLN HB3 H 1 1.720 0.005 . 2 . . . . . 12 GLN HB3 . 50490 1 138 . 1 . 1 12 12 GLN HG2 H 1 1.901 0.002 . 2 . . . . . 12 GLN HG2 . 50490 1 139 . 1 . 1 12 12 GLN HG3 H 1 1.901 0.002 . 2 . . . . . 12 GLN HG3 . 50490 1 140 . 1 . 1 12 12 GLN HE21 H 1 6.530 0.001 . 2 . . . . . 12 GLN HE21 . 50490 1 141 . 1 . 1 12 12 GLN HE22 H 1 6.735 0.002 . 2 . . . . . 12 GLN HE22 . 50490 1 142 . 1 . 1 12 12 GLN CA C 13 57.135 0.031 . 1 . . . . . 12 GLN CA . 50490 1 143 . 1 . 1 12 12 GLN CB C 13 28.966 0.071 . 1 . . . . . 12 GLN CB . 50490 1 144 . 1 . 1 12 12 GLN CG C 13 33.835 0.045 . 1 . . . . . 12 GLN CG . 50490 1 145 . 1 . 1 13 13 HIS H H 1 7.781 0.002 . 1 . . . . . 13 HIS H . 50490 1 146 . 1 . 1 13 13 HIS HA H 1 4.553 0.005 . 1 . . . . . 13 HIS HA . 50490 1 147 . 1 . 1 13 13 HIS HB2 H 1 2.987 0.004 . 2 . . . . . 13 HIS HB2 . 50490 1 148 . 1 . 1 13 13 HIS HB3 H 1 3.384 0.010 . 2 . . . . . 13 HIS HB3 . 50490 1 149 . 1 . 1 13 13 HIS HD2 H 1 7.159 0.014 . 1 . . . . . 13 HIS HD2 . 50490 1 150 . 1 . 1 13 13 HIS HE1 H 1 8.336 0.185 . 1 . . . . . 13 HIS HE1 . 50490 1 151 . 1 . 1 13 13 HIS CA C 13 55.945 0.000 . 1 . . . . . 13 HIS CA . 50490 1 152 . 1 . 1 13 13 HIS CB C 13 28.600 0.000 . 1 . . . . . 13 HIS CB . 50490 1 153 . 1 . 1 13 13 HIS CD2 C 13 119.851 0.072 . 1 . . . . . 13 HIS CD2 . 50490 1 154 . 1 . 1 13 13 HIS CE1 C 13 136.175 0.045 . 1 . . . . . 13 HIS CE1 . 50490 1 155 . 1 . 1 14 14 ILE H H 1 7.625 0.003 . 1 . . . . . 14 ILE H . 50490 1 156 . 1 . 1 14 14 ILE HA H 1 4.179 0.006 . 1 . . . . . 14 ILE HA . 50490 1 157 . 1 . 1 14 14 ILE HB H 1 1.885 0.004 . 1 . . . . . 14 ILE HB . 50490 1 158 . 1 . 1 14 14 ILE HG12 H 1 1.207 0.008 . 2 . . . . . 14 ILE HG12 . 50490 1 159 . 1 . 1 14 14 ILE HG13 H 1 1.556 0.009 . 2 . . . . . 14 ILE HG13 . 50490 1 160 . 1 . 1 14 14 ILE HG21 H 1 0.882 0.004 . 1 . . . . . 14 ILE QG2 . 50490 1 161 . 1 . 1 14 14 ILE HG22 H 1 0.882 0.004 . 1 . . . . . 14 ILE QG2 . 50490 1 162 . 1 . 1 14 14 ILE HG23 H 1 0.882 0.004 . 1 . . . . . 14 ILE QG2 . 50490 1 163 . 1 . 1 14 14 ILE HD11 H 1 0.836 0.003 . 1 . . . . . 14 ILE QD1 . 50490 1 164 . 1 . 1 14 14 ILE HD12 H 1 0.836 0.003 . 1 . . . . . 14 ILE QD1 . 50490 1 165 . 1 . 1 14 14 ILE HD13 H 1 0.836 0.003 . 1 . . . . . 14 ILE QD1 . 50490 1 166 . 1 . 1 14 14 ILE CA C 13 61.139 0.093 . 1 . . . . . 14 ILE CA . 50490 1 167 . 1 . 1 14 14 ILE CB C 13 39.244 0.055 . 1 . . . . . 14 ILE CB . 50490 1 168 . 1 . 1 14 14 ILE CG1 C 13 27.475 0.016 . 1 . . . . . 14 ILE CG1 . 50490 1 169 . 1 . 1 14 14 ILE CG2 C 13 17.774 0.000 . 1 . . . . . 14 ILE CG2 . 50490 1 170 . 1 . 1 14 14 ILE CD1 C 13 13.910 0.013 . 1 . . . . . 14 ILE CD1 . 50490 1 171 . 1 . 1 15 15 SER H H 1 8.419 0.002 . 1 . . . . . 15 SER H . 50490 1 172 . 1 . 1 15 15 SER HA H 1 4.960 0.005 . 1 . . . . . 15 SER HA . 50490 1 173 . 1 . 1 15 15 SER HB2 H 1 3.998 0.004 . 2 . . . . . 15 SER HB2 . 50490 1 174 . 1 . 1 15 15 SER HB3 H 1 3.998 0.004 . 2 . . . . . 15 SER HB3 . 50490 1 175 . 1 . 1 15 15 SER CA C 13 54.796 0.000 . 1 . . . . . 15 SER CA . 50490 1 176 . 1 . 1 15 15 SER CB C 13 63.376 0.073 . 1 . . . . . 15 SER CB . 50490 1 177 . 1 . 1 16 16 PRO HA H 1 4.149 0.004 . 1 . . . . . 16 PRO HA . 50490 1 178 . 1 . 1 16 16 PRO HB2 H 1 2.003 0.006 . 2 . . . . . 16 PRO HB2 . 50490 1 179 . 1 . 1 16 16 PRO HB3 H 1 2.174 0.005 . 2 . . . . . 16 PRO HB3 . 50490 1 180 . 1 . 1 16 16 PRO HG2 H 1 1.853 0.003 . 2 . . . . . 16 PRO HG2 . 50490 1 181 . 1 . 1 16 16 PRO HG3 H 1 1.853 0.003 . 2 . . . . . 16 PRO HG3 . 50490 1 182 . 1 . 1 16 16 PRO HD2 H 1 4.001 0.005 . 2 . . . . . 16 PRO HD2 . 50490 1 183 . 1 . 1 16 16 PRO HD3 H 1 4.155 0.002 . 2 . . . . . 16 PRO HD3 . 50490 1 184 . 1 . 1 16 16 PRO CA C 13 65.488 0.000 . 1 . . . . . 16 PRO CA . 50490 1 185 . 1 . 1 16 16 PRO CB C 13 32.467 0.023 . 1 . . . . . 16 PRO CB . 50490 1 186 . 1 . 1 16 16 PRO CG C 13 27.406 0.000 . 1 . . . . . 16 PRO CG . 50490 1 187 . 1 . 1 17 17 ARG H H 1 8.640 0.002 . 1 . . . . . 17 ARG H . 50490 1 188 . 1 . 1 17 17 ARG HA H 1 3.886 0.004 . 1 . . . . . 17 ARG HA . 50490 1 189 . 1 . 1 17 17 ARG HB2 H 1 1.856 0.010 . 2 . . . . . 17 ARG HB2 . 50490 1 190 . 1 . 1 17 17 ARG HB3 H 1 1.903 0.007 . 2 . . . . . 17 ARG HB3 . 50490 1 191 . 1 . 1 17 17 ARG HG2 H 1 1.617 0.001 . 2 . . . . . 17 ARG HG2 . 50490 1 192 . 1 . 1 17 17 ARG HG3 H 1 1.617 0.001 . 2 . . . . . 17 ARG HG3 . 50490 1 193 . 1 . 1 17 17 ARG HD2 H 1 3.218 0.003 . 2 . . . . . 17 ARG HD2 . 50490 1 194 . 1 . 1 17 17 ARG HD3 H 1 3.254 0.005 . 2 . . . . . 17 ARG HD3 . 50490 1 195 . 1 . 1 17 17 ARG HE H 1 7.633 0.002 . 1 . . . . . 17 ARG HE . 50490 1 196 . 1 . 1 17 17 ARG CA C 13 60.186 0.088 . 1 . . . . . 17 ARG CA . 50490 1 197 . 1 . 1 17 17 ARG CB C 13 30.240 0.020 . 1 . . . . . 17 ARG CB . 50490 1 198 . 1 . 1 17 17 ARG CG C 13 28.345 0.000 . 1 . . . . . 17 ARG CG . 50490 1 199 . 1 . 1 17 17 ARG CD C 13 43.576 0.056 . 1 . . . . . 17 ARG CD . 50490 1 200 . 1 . 1 18 18 THR H H 1 7.635 0.004 . 1 . . . . . 18 THR H . 50490 1 201 . 1 . 1 18 18 THR HA H 1 3.975 0.004 . 1 . . . . . 18 THR HA . 50490 1 202 . 1 . 1 18 18 THR HB H 1 4.341 0.004 . 1 . . . . . 18 THR HB . 50490 1 203 . 1 . 1 18 18 THR HG21 H 1 1.279 0.016 . 1 . . . . . 18 THR QG2 . 50490 1 204 . 1 . 1 18 18 THR HG22 H 1 1.279 0.016 . 1 . . . . . 18 THR QG2 . 50490 1 205 . 1 . 1 18 18 THR HG23 H 1 1.279 0.016 . 1 . . . . . 18 THR QG2 . 50490 1 206 . 1 . 1 18 18 THR CA C 13 66.110 0.059 . 1 . . . . . 18 THR CA . 50490 1 207 . 1 . 1 18 18 THR CB C 13 68.611 0.036 . 1 . . . . . 18 THR CB . 50490 1 208 . 1 . 1 18 18 THR CG2 C 13 21.750 0.055 . 1 . . . . . 18 THR CG2 . 50490 1 209 . 1 . 1 19 19 ILE H H 1 7.761 0.002 . 1 . . . . . 19 ILE H . 50490 1 210 . 1 . 1 19 19 ILE HA H 1 3.697 0.002 . 1 . . . . . 19 ILE HA . 50490 1 211 . 1 . 1 19 19 ILE HB H 1 1.943 0.003 . 1 . . . . . 19 ILE HB . 50490 1 212 . 1 . 1 19 19 ILE HG12 H 1 1.233 0.004 . 2 . . . . . 19 ILE HG12 . 50490 1 213 . 1 . 1 19 19 ILE HG13 H 1 1.682 0.002 . 2 . . . . . 19 ILE HG13 . 50490 1 214 . 1 . 1 19 19 ILE HG21 H 1 0.930 0.002 . 1 . . . . . 19 ILE QG2 . 50490 1 215 . 1 . 1 19 19 ILE HG22 H 1 0.930 0.002 . 1 . . . . . 19 ILE QG2 . 50490 1 216 . 1 . 1 19 19 ILE HG23 H 1 0.930 0.002 . 1 . . . . . 19 ILE QG2 . 50490 1 217 . 1 . 1 19 19 ILE HD11 H 1 0.854 0.002 . 1 . . . . . 19 ILE QD1 . 50490 1 218 . 1 . 1 19 19 ILE HD12 H 1 0.854 0.002 . 1 . . . . . 19 ILE QD1 . 50490 1 219 . 1 . 1 19 19 ILE HD13 H 1 0.854 0.002 . 1 . . . . . 19 ILE QD1 . 50490 1 220 . 1 . 1 19 19 ILE CA C 13 64.691 0.056 . 1 . . . . . 19 ILE CA . 50490 1 221 . 1 . 1 19 19 ILE CB C 13 37.676 0.019 . 1 . . . . . 19 ILE CB . 50490 1 222 . 1 . 1 19 19 ILE CG1 C 13 28.687 0.026 . 1 . . . . . 19 ILE CG1 . 50490 1 223 . 1 . 1 19 19 ILE CG2 C 13 17.771 0.005 . 1 . . . . . 19 ILE CG2 . 50490 1 224 . 1 . 1 19 19 ILE CD1 C 13 13.247 0.003 . 1 . . . . . 19 ILE CD1 . 50490 1 225 . 1 . 1 20 20 ALA H H 1 8.287 0.001 . 1 . . . . . 20 ALA H . 50490 1 226 . 1 . 1 20 20 ALA HA H 1 3.983 0.003 . 1 . . . . . 20 ALA HA . 50490 1 227 . 1 . 1 20 20 ALA HB1 H 1 1.456 0.003 . 1 . . . . . 20 ALA HB# . 50490 1 228 . 1 . 1 20 20 ALA HB2 H 1 1.456 0.003 . 1 . . . . . 20 ALA HB# . 50490 1 229 . 1 . 1 20 20 ALA HB3 H 1 1.456 0.003 . 1 . . . . . 20 ALA HB# . 50490 1 230 . 1 . 1 20 20 ALA CA C 13 55.439 0.025 . 1 . . . . . 20 ALA CA . 50490 1 231 . 1 . 1 20 20 ALA CB C 13 18.485 0.030 . 1 . . . . . 20 ALA CB . 50490 1 232 . 1 . 1 21 21 MET H H 1 8.150 0.001 . 1 . . . . . 21 MET H . 50490 1 233 . 1 . 1 21 21 MET HA H 1 4.293 0.006 . 1 . . . . . 21 MET HA . 50490 1 234 . 1 . 1 21 21 MET HB2 H 1 2.166 0.005 . 2 . . . . . 21 MET HB2 . 50490 1 235 . 1 . 1 21 21 MET HB3 H 1 2.204 0.004 . 2 . . . . . 21 MET HB3 . 50490 1 236 . 1 . 1 21 21 MET HG2 H 1 2.674 0.004 . 2 . . . . . 21 MET HG2 . 50490 1 237 . 1 . 1 21 21 MET HG3 H 1 2.787 0.003 . 2 . . . . . 21 MET HG3 . 50490 1 238 . 1 . 1 21 21 MET HE1 H 1 2.092 0.002 . 1 . . . . . 21 MET HE# . 50490 1 239 . 1 . 1 21 21 MET HE2 H 1 2.092 0.002 . 1 . . . . . 21 MET HE# . 50490 1 240 . 1 . 1 21 21 MET HE3 H 1 2.092 0.002 . 1 . . . . . 21 MET HE# . 50490 1 241 . 1 . 1 21 21 MET CA C 13 57.653 0.000 . 1 . . . . . 21 MET CA . 50490 1 242 . 1 . 1 21 21 MET CB C 13 31.579 0.061 . 1 . . . . . 21 MET CB . 50490 1 243 . 1 . 1 21 21 MET CG C 13 32.198 0.019 . 1 . . . . . 21 MET CG . 50490 1 244 . 1 . 1 21 21 MET CE C 13 16.666 0.023 . 1 . . . . . 21 MET CE . 50490 1 245 . 1 . 1 22 22 ARG H H 1 7.999 0.002 . 1 . . . . . 22 ARG H . 50490 1 246 . 1 . 1 22 22 ARG HA H 1 4.135 0.005 . 1 . . . . . 22 ARG HA . 50490 1 247 . 1 . 1 22 22 ARG HB2 H 1 1.996 0.005 . 2 . . . . . 22 ARG HB2 . 50490 1 248 . 1 . 1 22 22 ARG HB3 H 1 1.996 0.005 . 2 . . . . . 22 ARG HB3 . 50490 1 249 . 1 . 1 22 22 ARG HG2 H 1 1.713 0.003 . 2 . . . . . 22 ARG HG2 . 50490 1 250 . 1 . 1 22 22 ARG HG3 H 1 1.849 0.002 . 2 . . . . . 22 ARG HG3 . 50490 1 251 . 1 . 1 22 22 ARG HD2 H 1 3.191 0.006 . 2 . . . . . 22 ARG HD2 . 50490 1 252 . 1 . 1 22 22 ARG HD3 H 1 3.191 0.006 . 2 . . . . . 22 ARG HD3 . 50490 1 253 . 1 . 1 22 22 ARG HE H 1 7.510 0.001 . 1 . . . . . 22 ARG HE . 50490 1 254 . 1 . 1 22 22 ARG CA C 13 59.056 0.000 . 1 . . . . . 22 ARG CA . 50490 1 255 . 1 . 1 22 22 ARG CB C 13 30.103 0.033 . 1 . . . . . 22 ARG CB . 50490 1 256 . 1 . 1 22 22 ARG CG C 13 27.433 0.029 . 1 . . . . . 22 ARG CG . 50490 1 257 . 1 . 1 22 22 ARG CD C 13 43.575 0.046 . 1 . . . . . 22 ARG CD . 50490 1 258 . 1 . 1 23 23 ALA H H 1 8.123 0.005 . 1 . . . . . 23 ALA H . 50490 1 259 . 1 . 1 23 23 ALA HA H 1 4.158 0.003 . 1 . . . . . 23 ALA HA . 50490 1 260 . 1 . 1 23 23 ALA HB1 H 1 1.552 0.002 . 1 . . . . . 23 ALA HB# . 50490 1 261 . 1 . 1 23 23 ALA HB2 H 1 1.552 0.002 . 1 . . . . . 23 ALA HB# . 50490 1 262 . 1 . 1 23 23 ALA HB3 H 1 1.552 0.002 . 1 . . . . . 23 ALA HB# . 50490 1 263 . 1 . 1 23 23 ALA CA C 13 55.309 0.021 . 1 . . . . . 23 ALA CA . 50490 1 264 . 1 . 1 23 23 ALA CB C 13 18.526 0.026 . 1 . . . . . 23 ALA CB . 50490 1 265 . 1 . 1 24 24 ILE H H 1 8.303 0.002 . 1 . . . . . 24 ILE H . 50490 1 266 . 1 . 1 24 24 ILE HA H 1 3.809 0.003 . 1 . . . . . 24 ILE HA . 50490 1 267 . 1 . 1 24 24 ILE HB H 1 1.985 0.004 . 1 . . . . . 24 ILE HB . 50490 1 268 . 1 . 1 24 24 ILE HG12 H 1 1.140 0.003 . 2 . . . . . 24 ILE HG12 . 50490 1 269 . 1 . 1 24 24 ILE HG13 H 1 1.812 0.005 . 2 . . . . . 24 ILE HG13 . 50490 1 270 . 1 . 1 24 24 ILE HG21 H 1 0.954 0.001 . 1 . . . . . 24 ILE QG2 . 50490 1 271 . 1 . 1 24 24 ILE HG22 H 1 0.954 0.001 . 1 . . . . . 24 ILE QG2 . 50490 1 272 . 1 . 1 24 24 ILE HG23 H 1 0.954 0.001 . 1 . . . . . 24 ILE QG2 . 50490 1 273 . 1 . 1 24 24 ILE HD11 H 1 0.876 0.003 . 1 . . . . . 24 ILE QD1 . 50490 1 274 . 1 . 1 24 24 ILE HD12 H 1 0.876 0.003 . 1 . . . . . 24 ILE QD1 . 50490 1 275 . 1 . 1 24 24 ILE HD13 H 1 0.876 0.003 . 1 . . . . . 24 ILE QD1 . 50490 1 276 . 1 . 1 24 24 ILE CA C 13 64.832 0.090 . 1 . . . . . 24 ILE CA . 50490 1 277 . 1 . 1 24 24 ILE CB C 13 38.389 0.028 . 1 . . . . . 24 ILE CB . 50490 1 278 . 1 . 1 24 24 ILE CG1 C 13 29.678 0.062 . 1 . . . . . 24 ILE CG1 . 50490 1 279 . 1 . 1 24 24 ILE CG2 C 13 17.554 0.006 . 1 . . . . . 24 ILE CG2 . 50490 1 280 . 1 . 1 24 24 ILE CD1 C 13 13.918 0.000 . 1 . . . . . 24 ILE CD1 . 50490 1 281 . 1 . 1 25 25 ASN H H 1 8.199 0.002 . 1 . . . . . 25 ASN H . 50490 1 282 . 1 . 1 25 25 ASN HA H 1 4.551 0.006 . 1 . . . . . 25 ASN HA . 50490 1 283 . 1 . 1 25 25 ASN HB2 H 1 2.723 0.003 . 2 . . . . . 25 ASN HB2 . 50490 1 284 . 1 . 1 25 25 ASN HB3 H 1 2.864 0.006 . 2 . . . . . 25 ASN HB3 . 50490 1 285 . 1 . 1 25 25 ASN HD21 H 1 6.924 0.003 . 2 . . . . . 25 ASN HD21 . 50490 1 286 . 1 . 1 25 25 ASN HD22 H 1 7.570 0.002 . 2 . . . . . 25 ASN HD22 . 50490 1 287 . 1 . 1 25 25 ASN CA C 13 55.487 0.000 . 1 . . . . . 25 ASN CA . 50490 1 288 . 1 . 1 25 25 ASN CB C 13 38.552 0.046 . 1 . . . . . 25 ASN CB . 50490 1 289 . 1 . 1 26 26 ASN H H 1 8.009 0.003 . 1 . . . . . 26 ASN H . 50490 1 290 . 1 . 1 26 26 ASN HA H 1 4.627 0.005 . 1 . . . . . 26 ASN HA . 50490 1 291 . 1 . 1 26 26 ASN HB2 H 1 2.665 0.004 . 2 . . . . . 26 ASN HB2 . 50490 1 292 . 1 . 1 26 26 ASN HB3 H 1 2.813 0.005 . 2 . . . . . 26 ASN HB3 . 50490 1 293 . 1 . 1 26 26 ASN HD21 H 1 7.061 0.009 . 2 . . . . . 26 ASN HD21 . 50490 1 294 . 1 . 1 26 26 ASN HD22 H 1 7.466 0.004 . 2 . . . . . 26 ASN HD22 . 50490 1 295 . 1 . 1 26 26 ASN CA C 13 55.093 0.000 . 1 . . . . . 26 ASN CA . 50490 1 296 . 1 . 1 26 26 ASN CB C 13 39.679 0.044 . 1 . . . . . 26 ASN CB . 50490 1 297 . 1 . 1 27 27 TYR H H 1 7.983 0.001 . 1 . . . . . 27 TYR H . 50490 1 298 . 1 . 1 27 27 TYR HA H 1 4.334 0.003 . 1 . . . . . 27 TYR HA . 50490 1 299 . 1 . 1 27 27 TYR HB2 H 1 2.933 0.001 . 2 . . . . . 27 TYR HB2 . 50490 1 300 . 1 . 1 27 27 TYR HB3 H 1 3.041 0.003 . 2 . . . . . 27 TYR HB3 . 50490 1 301 . 1 . 1 27 27 TYR HD1 H 1 6.992 0.001 . 1 . . . . . 27 TYR HD1 . 50490 1 302 . 1 . 1 27 27 TYR HD2 H 1 6.992 0.001 . 1 . . . . . 27 TYR HD2 . 50490 1 303 . 1 . 1 27 27 TYR HE1 H 1 6.755 0.002 . 1 . . . . . 27 TYR HE1 . 50490 1 304 . 1 . 1 27 27 TYR HE2 H 1 6.755 0.002 . 1 . . . . . 27 TYR HE2 . 50490 1 305 . 1 . 1 27 27 TYR CA C 13 59.753 0.000 . 1 . . . . . 27 TYR CA . 50490 1 306 . 1 . 1 27 27 TYR CD1 C 13 132.988 0.042 . 1 . . . . . 27 TYR CD1 . 50490 1 307 . 1 . 1 27 27 TYR CD2 C 13 132.988 0.042 . 1 . . . . . 27 TYR CD2 . 50490 1 308 . 1 . 1 27 27 TYR CE1 C 13 118.003 0.065 . 1 . . . . . 27 TYR CE1 . 50490 1 309 . 1 . 1 27 27 TYR CE2 C 13 118.003 0.065 . 1 . . . . . 27 TYR CE2 . 50490 1 310 . 1 . 1 28 28 ARG H H 1 7.941 0.006 . 1 . . . . . 28 ARG H . 50490 1 311 . 1 . 1 28 28 ARG HA H 1 4.124 0.013 . 1 . . . . . 28 ARG HA . 50490 1 312 . 1 . 1 28 28 ARG HB2 H 1 1.692 0.009 . 2 . . . . . 28 ARG HB2 . 50490 1 313 . 1 . 1 28 28 ARG HB3 H 1 1.719 0.005 . 2 . . . . . 28 ARG HB3 . 50490 1 314 . 1 . 1 28 28 ARG HG2 H 1 1.487 0.004 . 2 . . . . . 28 ARG HG2 . 50490 1 315 . 1 . 1 28 28 ARG HG3 H 1 1.550 0.007 . 2 . . . . . 28 ARG HG3 . 50490 1 316 . 1 . 1 28 28 ARG HD2 H 1 3.090 0.002 . 2 . . . . . 28 ARG HD2 . 50490 1 317 . 1 . 1 28 28 ARG HD3 H 1 3.090 0.002 . 2 . . . . . 28 ARG HD3 . 50490 1 318 . 1 . 1 28 28 ARG HE H 1 7.320 0.001 . 1 . . . . . 28 ARG HE . 50490 1 319 . 1 . 1 28 28 ARG CA C 13 56.917 0.096 . 1 . . . . . 28 ARG CA . 50490 1 320 . 1 . 1 28 28 ARG CB C 13 30.298 0.018 . 1 . . . . . 28 ARG CB . 50490 1 321 . 1 . 1 28 28 ARG CG C 13 27.280 0.054 . 1 . . . . . 28 ARG CG . 50490 1 322 . 1 . 1 28 28 ARG CD C 13 43.509 0.056 . 1 . . . . . 28 ARG CD . 50490 1 323 . 1 . 1 29 29 TRP H H 1 7.953 0.002 . 1 . . . . . 29 TRP H . 50490 1 324 . 1 . 1 29 29 TRP HA H 1 4.612 0.004 . 1 . . . . . 29 TRP HA . 50490 1 325 . 1 . 1 29 29 TRP HB2 H 1 3.275 0.004 . 2 . . . . . 29 TRP HB2 . 50490 1 326 . 1 . 1 29 29 TRP HB3 H 1 3.363 0.005 . 2 . . . . . 29 TRP HB3 . 50490 1 327 . 1 . 1 29 29 TRP HD1 H 1 7.326 0.002 . 1 . . . . . 29 TRP HD1 . 50490 1 328 . 1 . 1 29 29 TRP HE1 H 1 10.397 0.001 . 1 . . . . . 29 TRP HE1 . 50490 1 329 . 1 . 1 29 29 TRP HE3 H 1 7.652 0.002 . 1 . . . . . 29 TRP HE3 . 50490 1 330 . 1 . 1 29 29 TRP HZ2 H 1 7.446 0.004 . 1 . . . . . 29 TRP HZ2 . 50490 1 331 . 1 . 1 29 29 TRP HZ3 H 1 7.076 0.006 . 1 . . . . . 29 TRP HZ3 . 50490 1 332 . 1 . 1 29 29 TRP HH2 H 1 7.123 0.006 . 1 . . . . . 29 TRP HH2 . 50490 1 333 . 1 . 1 29 29 TRP CA C 13 57.666 0.000 . 1 . . . . . 29 TRP CA . 50490 1 334 . 1 . 1 29 29 TRP CB C 13 29.633 0.016 . 1 . . . . . 29 TRP CB . 50490 1 335 . 1 . 1 29 29 TRP CD1 C 13 127.323 0.110 . 1 . . . . . 29 TRP CD1 . 50490 1 336 . 1 . 1 29 29 TRP CE3 C 13 121.047 0.027 . 1 . . . . . 29 TRP CE3 . 50490 1 337 . 1 . 1 29 29 TRP CZ2 C 13 114.498 0.065 . 1 . . . . . 29 TRP CZ2 . 50490 1 338 . 1 . 1 29 29 TRP CZ3 C 13 121.772 0.058 . 1 . . . . . 29 TRP CZ3 . 50490 1 339 . 1 . 1 29 29 TRP CH2 C 13 124.281 0.028 . 1 . . . . . 29 TRP CH2 . 50490 1 340 . 1 . 1 30 30 ARG H H 1 7.953 0.002 . 1 . . . . . 30 ARG H . 50490 1 341 . 1 . 1 30 30 ARG HA H 1 4.148 0.003 . 1 . . . . . 30 ARG HA . 50490 1 342 . 1 . 1 30 30 ARG HB2 H 1 1.669 0.004 . 2 . . . . . 30 ARG HB2 . 50490 1 343 . 1 . 1 30 30 ARG HB3 H 1 1.811 0.001 . 2 . . . . . 30 ARG HB3 . 50490 1 344 . 1 . 1 30 30 ARG HG2 H 1 1.487 0.005 . 2 . . . . . 30 ARG HG2 . 50490 1 345 . 1 . 1 30 30 ARG HG3 H 1 1.497 0.000 . 2 . . . . . 30 ARG HG3 . 50490 1 346 . 1 . 1 30 30 ARG HD2 H 1 3.104 0.003 . 2 . . . . . 30 ARG HD2 . 50490 1 347 . 1 . 1 30 30 ARG HD3 H 1 3.104 0.003 . 2 . . . . . 30 ARG HD3 . 50490 1 348 . 1 . 1 30 30 ARG HE H 1 7.380 0.003 . 1 . . . . . 30 ARG HE . 50490 1 349 . 1 . 1 30 30 ARG CA C 13 56.075 0.085 . 1 . . . . . 30 ARG CA . 50490 1 350 . 1 . 1 30 30 ARG CB C 13 30.692 0.034 . 1 . . . . . 30 ARG CB . 50490 1 351 . 1 . 1 30 30 ARG CG C 13 27.272 0.010 . 1 . . . . . 30 ARG CG . 50490 1 352 . 1 . 1 30 30 ARG CD C 13 43.350 0.076 . 1 . . . . . 30 ARG CD . 50490 1 stop_ save_