################################### # 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 36384 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chemical_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 1 '2D 1H-15N HSQC' 1 $15N_13C_sample isotropic 36384 1 2 '2D 1H-13C HSQC' 1 $15N_13C_sample isotropic 36384 1 3 '3D HNCACB' 1 $15N_13C_sample isotropic 36384 1 4 '3D CBCA(CO)NH' 1 $15N_13C_sample isotropic 36384 1 5 '3D C(CO)NH' 1 $15N_13C_sample isotropic 36384 1 6 '3D HNHA' 1 $15N_13C_sample isotropic 36384 1 7 '3D 1H-15N TOCSY' 1 $15N_13C_sample isotropic 36384 1 8 '3D HCCH-TOCSY' 1 $15N_13C_sample isotropic 36384 1 9 '3D HBHA(CO)NH' 1 $15N_13C_sample isotropic 36384 1 10 '3D HBHANH' 1 $15N_13C_sample isotropic 36384 1 11 '3D 1H-15N NOESY' 1 $15N_13C_sample isotropic 36384 1 12 '3D 1H-13C NOESY' 1 $15N_13C_sample isotropic 36384 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 3 3 ALA HA H 1 4.255 0 . 1 . . . . A 311 ALA HA . 36384 1 2 . 1 . 1 3 3 ALA HB1 H 1 1.356 0 . 1 . . . . A 311 ALA HB1 . 36384 1 3 . 1 . 1 3 3 ALA HB2 H 1 1.356 0 . 1 . . . . A 311 ALA HB2 . 36384 1 4 . 1 . 1 3 3 ALA HB3 H 1 1.356 0 . 1 . . . . A 311 ALA HB3 . 36384 1 5 . 1 . 1 3 3 ALA CA C 13 52.218 0.028 . 1 . . . . A 311 ALA CA . 36384 1 6 . 1 . 1 3 3 ALA CB C 13 18.481 0.021 . 1 . . . . A 311 ALA CB . 36384 1 7 . 1 . 1 4 4 GLU H H 1 8.267 0.003 . 1 . . . . A 312 GLU H . 36384 1 8 . 1 . 1 4 4 GLU HA H 1 4.22 0.007 . 1 . . . . A 312 GLU HA . 36384 1 9 . 1 . 1 4 4 GLU HB2 H 1 1.938 0.006 . 2 . . . . A 312 GLU HB2 . 36384 1 10 . 1 . 1 4 4 GLU HB3 H 1 2.022 0.001 . 2 . . . . A 312 GLU HB3 . 36384 1 11 . 1 . 1 4 4 GLU HG2 H 1 2.243 0.001 . 1 . . . . A 312 GLU HG2 . 36384 1 12 . 1 . 1 4 4 GLU CA C 13 56.139 0.046 . 1 . . . . A 312 GLU CA . 36384 1 13 . 1 . 1 4 4 GLU CB C 13 29.637 0.055 . 1 . . . . A 312 GLU CB . 36384 1 14 . 1 . 1 4 4 GLU CG C 13 35.675 0.026 . 1 . . . . A 312 GLU CG . 36384 1 15 . 1 . 1 4 4 GLU N N 15 119.996 0.017 . 1 . . . . A 312 GLU N . 36384 1 16 . 1 . 1 5 5 ALA H H 1 8.253 0.002 . 1 . . . . A 313 ALA H . 36384 1 17 . 1 . 1 5 5 ALA HA H 1 4.306 0.003 . 1 . . . . A 313 ALA HA . 36384 1 18 . 1 . 1 5 5 ALA HB1 H 1 1.386 0.01 . 1 . . . . A 313 ALA HB1 . 36384 1 19 . 1 . 1 5 5 ALA HB2 H 1 1.386 0.01 . 1 . . . . A 313 ALA HB2 . 36384 1 20 . 1 . 1 5 5 ALA HB3 H 1 1.386 0.01 . 1 . . . . A 313 ALA HB3 . 36384 1 21 . 1 . 1 5 5 ALA CA C 13 52.197 0.102 . 1 . . . . A 313 ALA CA . 36384 1 22 . 1 . 1 5 5 ALA CB C 13 18.534 0.047 . 1 . . . . A 313 ALA CB . 36384 1 23 . 1 . 1 5 5 ALA N N 15 124.62 0.014 . 1 . . . . A 313 ALA N . 36384 1 24 . 1 . 1 6 6 THR H H 1 7.991 0.003 . 1 . . . . A 314 THR H . 36384 1 25 . 1 . 1 6 6 THR HA H 1 4.24 0.012 . 1 . . . . A 314 THR HA . 36384 1 26 . 1 . 1 6 6 THR HB H 1 4.195 0.001 . 1 . . . . A 314 THR HB . 36384 1 27 . 1 . 1 6 6 THR HG21 H 1 1.191 0.002 . 1 . . . . A 314 THR HG21 . 36384 1 28 . 1 . 1 6 6 THR HG22 H 1 1.191 0.002 . 1 . . . . A 314 THR HG22 . 36384 1 29 . 1 . 1 6 6 THR HG23 H 1 1.191 0.002 . 1 . . . . A 314 THR HG23 . 36384 1 30 . 1 . 1 6 6 THR CA C 13 61.762 0.123 . 1 . . . . A 314 THR CA . 36384 1 31 . 1 . 1 6 6 THR CB C 13 69.103 0.057 . 1 . . . . A 314 THR CB . 36384 1 32 . 1 . 1 6 6 THR CG2 C 13 21.036 0.12 . 1 . . . . A 314 THR CG2 . 36384 1 33 . 1 . 1 6 6 THR N N 15 112.961 0.021 . 1 . . . . A 314 THR N . 36384 1 34 . 1 . 1 7 7 ARG H H 1 8.173 0.005 . 1 . . . . A 315 ARG H . 36384 1 35 . 1 . 1 7 7 ARG HA H 1 4.286 0.011 . 1 . . . . A 315 ARG HA . 36384 1 36 . 1 . 1 7 7 ARG HB2 H 1 1.84 0.003 . 2 . . . . A 315 ARG HB2 . 36384 1 37 . 1 . 1 7 7 ARG HB3 H 1 1.761 0.002 . 2 . . . . A 315 ARG HB3 . 36384 1 38 . 1 . 1 7 7 ARG HG2 H 1 1.62 0.001 . 1 . . . . A 315 ARG HG2 . 36384 1 39 . 1 . 1 7 7 ARG HD2 H 1 3.171 0.001 . 1 . . . . A 315 ARG HD2 . 36384 1 40 . 1 . 1 7 7 ARG CA C 13 55.726 0.068 . 1 . . . . A 315 ARG CA . 36384 1 41 . 1 . 1 7 7 ARG CB C 13 30.103 0.062 . 1 . . . . A 315 ARG CB . 36384 1 42 . 1 . 1 7 7 ARG CG C 13 26.548 0.025 . 1 . . . . A 315 ARG CG . 36384 1 43 . 1 . 1 7 7 ARG CD C 13 42.742 0.017 . 1 . . . . A 315 ARG CD . 36384 1 44 . 1 . 1 7 7 ARG N N 15 123.261 0.018 . 1 . . . . A 315 ARG N . 36384 1 45 . 1 . 1 8 8 GLN H H 1 8.329 0.002 . 1 . . . . A 316 GLN H . 36384 1 46 . 1 . 1 8 8 GLN HA H 1 4.245 0.008 . 1 . . . . A 316 GLN HA . 36384 1 47 . 1 . 1 8 8 GLN HB2 H 1 1.988 0.012 . 1 . . . . A 316 GLN HB2 . 36384 1 48 . 1 . 1 8 8 GLN HG2 H 1 2.31 0.014 . 1 . . . . A 316 GLN HG2 . 36384 1 49 . 1 . 1 8 8 GLN CA C 13 55.571 0.001 . 1 . . . . A 316 GLN CA . 36384 1 50 . 1 . 1 8 8 GLN CB C 13 28.754 0.039 . 1 . . . . A 316 GLN CB . 36384 1 51 . 1 . 1 8 8 GLN CG C 13 33.23 0.034 . 1 . . . . A 316 GLN CG . 36384 1 52 . 1 . 1 8 8 GLN N N 15 121.615 0.004 . 1 . . . . A 316 GLN N . 36384 1 53 . 1 . 1 9 9 ALA H H 1 8.236 0.003 . 1 . . . . A 317 ALA H . 36384 1 54 . 1 . 1 9 9 ALA HA H 1 4.256 0.005 . 1 . . . . A 317 ALA HA . 36384 1 55 . 1 . 1 9 9 ALA HB1 H 1 1.378 0.001 . 1 . . . . A 317 ALA HB1 . 36384 1 56 . 1 . 1 9 9 ALA HB2 H 1 1.378 0.001 . 1 . . . . A 317 ALA HB2 . 36384 1 57 . 1 . 1 9 9 ALA HB3 H 1 1.378 0.001 . 1 . . . . A 317 ALA HB3 . 36384 1 58 . 1 . 1 9 9 ALA CA C 13 52.164 0.019 . 1 . . . . A 317 ALA CA . 36384 1 59 . 1 . 1 9 9 ALA CB C 13 18.578 0 . 1 . . . . A 317 ALA CB . 36384 1 60 . 1 . 1 9 9 ALA N N 15 125.117 0.019 . 1 . . . . A 317 ALA N . 36384 1 61 . 1 . 1 10 10 ALA HA H 1 4.248 0 . 1 . . . . A 318 ALA HA . 36384 1 62 . 1 . 1 10 10 ALA HB1 H 1 1.371 0.004 . 1 . . . . A 318 ALA HB1 . 36384 1 63 . 1 . 1 10 10 ALA HB2 H 1 1.371 0.004 . 1 . . . . A 318 ALA HB2 . 36384 1 64 . 1 . 1 10 10 ALA HB3 H 1 1.371 0.004 . 1 . . . . A 318 ALA HB3 . 36384 1 65 . 1 . 1 10 10 ALA CA C 13 51.945 0.014 . 1 . . . . A 318 ALA CA . 36384 1 66 . 1 . 1 10 10 ALA CB C 13 18.606 0.025 . 1 . . . . A 318 ALA CB . 36384 1 67 . 1 . 1 11 11 ALA H H 1 8.157 0.004 . 1 . . . . A 319 ALA H . 36384 1 68 . 1 . 1 11 11 ALA HA H 1 4.265 0.006 . 1 . . . . A 319 ALA HA . 36384 1 69 . 1 . 1 11 11 ALA HB1 H 1 1.381 0.004 . 1 . . . . A 319 ALA HB1 . 36384 1 70 . 1 . 1 11 11 ALA HB2 H 1 1.381 0.004 . 1 . . . . A 319 ALA HB2 . 36384 1 71 . 1 . 1 11 11 ALA HB3 H 1 1.381 0.004 . 1 . . . . A 319 ALA HB3 . 36384 1 72 . 1 . 1 11 11 ALA CA C 13 52.063 0.054 . 1 . . . . A 319 ALA CA . 36384 1 73 . 1 . 1 11 11 ALA CB C 13 18.545 0.028 . 1 . . . . A 319 ALA CB . 36384 1 74 . 1 . 1 11 11 ALA N N 15 122.925 0.021 . 1 . . . . A 319 ALA N . 36384 1 75 . 1 . 1 12 12 GLN H H 1 8.268 0.003 . 1 . . . . A 320 GLN H . 36384 1 76 . 1 . 1 12 12 GLN HA H 1 4.265 0.006 . 1 . . . . A 320 GLN HA . 36384 1 77 . 1 . 1 12 12 GLN HB2 H 1 2.042 0.008 . 1 . . . . A 320 GLN HB2 . 36384 1 78 . 1 . 1 12 12 GLN HG2 H 1 2.353 0.001 . 1 . . . . A 320 GLN HG2 . 36384 1 79 . 1 . 1 12 12 GLN CA C 13 55.692 0.052 . 1 . . . . A 320 GLN CA . 36384 1 80 . 1 . 1 12 12 GLN CB C 13 28.807 0.028 . 1 . . . . A 320 GLN CB . 36384 1 81 . 1 . 1 12 12 GLN CG C 13 33.269 0.059 . 1 . . . . A 320 GLN CG . 36384 1 82 . 1 . 1 12 12 GLN N N 15 119.23 0.011 . 1 . . . . A 320 GLN N . 36384 1 83 . 1 . 1 13 13 GLU H H 1 8.446 0.002 . 1 . . . . A 321 GLU H . 36384 1 84 . 1 . 1 13 13 GLU HA H 1 4.217 0.008 . 1 . . . . A 321 GLU HA . 36384 1 85 . 1 . 1 13 13 GLU HB2 H 1 1.987 0.015 . 1 . . . . A 321 GLU HB2 . 36384 1 86 . 1 . 1 13 13 GLU HG2 H 1 2.238 0.005 . 1 . . . . A 321 GLU HG2 . 36384 1 87 . 1 . 1 13 13 GLU CA C 13 56.18 0.052 . 1 . . . . A 321 GLU CA . 36384 1 88 . 1 . 1 13 13 GLU CB C 13 29.695 0.087 . 1 . . . . A 321 GLU CB . 36384 1 89 . 1 . 1 13 13 GLU CG C 13 35.695 0.04 . 1 . . . . A 321 GLU CG . 36384 1 90 . 1 . 1 13 13 GLU N N 15 121.401 0.032 . 1 . . . . A 321 GLU N . 36384 1 91 . 1 . 1 14 14 GLU H H 1 8.323 0.003 . 1 . . . . A 322 GLU H . 36384 1 92 . 1 . 1 14 14 GLU HA H 1 4.25 0.003 . 1 . . . . A 322 GLU HA . 36384 1 93 . 1 . 1 14 14 GLU HB2 H 1 1.985 0.009 . 1 . . . . A 322 GLU HB2 . 36384 1 94 . 1 . 1 14 14 GLU HG2 H 1 2.275 0.003 . 1 . . . . A 322 GLU HG2 . 36384 1 95 . 1 . 1 14 14 GLU CA C 13 56.293 0.028 . 1 . . . . A 322 GLU CA . 36384 1 96 . 1 . 1 14 14 GLU CB C 13 29.667 0.014 . 1 . . . . A 322 GLU CB . 36384 1 97 . 1 . 1 14 14 GLU CG C 13 35.793 0.023 . 1 . . . . A 322 GLU CG . 36384 1 98 . 1 . 1 14 14 GLU N N 15 121.913 0.014 . 1 . . . . A 322 GLU N . 36384 1 99 . 1 . 1 15 15 ARG H H 1 8.492 0.003 . 1 . . . . A 323 ARG H . 36384 1 100 . 1 . 1 15 15 ARG HA H 1 4.437 0.002 . 1 . . . . A 323 ARG HA . 36384 1 101 . 1 . 1 15 15 ARG HB2 H 1 1.834 0.004 . 2 . . . . A 323 ARG HB2 . 36384 1 102 . 1 . 1 15 15 ARG HB3 H 1 2.034 0.003 . 2 . . . . A 323 ARG HB3 . 36384 1 103 . 1 . 1 15 15 ARG HG2 H 1 1.64 0.005 . 1 . . . . A 323 ARG HG2 . 36384 1 104 . 1 . 1 15 15 ARG HD2 H 1 3.238 0.001 . 1 . . . . A 323 ARG HD2 . 36384 1 105 . 1 . 1 15 15 ARG CA C 13 55.429 0.069 . 1 . . . . A 323 ARG CA . 36384 1 106 . 1 . 1 15 15 ARG CB C 13 30.188 0.056 . 1 . . . . A 323 ARG CB . 36384 1 107 . 1 . 1 15 15 ARG CG C 13 26.693 0.039 . 1 . . . . A 323 ARG CG . 36384 1 108 . 1 . 1 15 15 ARG CD C 13 42.833 0.023 . 1 . . . . A 323 ARG CD . 36384 1 109 . 1 . 1 15 15 ARG N N 15 121.728 0.022 . 1 . . . . A 323 ARG N . 36384 1 110 . 1 . 1 16 16 LEU H H 1 8.818 0.005 . 1 . . . . A 324 LEU H . 36384 1 111 . 1 . 1 16 16 LEU HA H 1 4.069 0.003 . 1 . . . . A 324 LEU HA . 36384 1 112 . 1 . 1 16 16 LEU HB2 H 1 1.803 0.005 . 2 . . . . A 324 LEU HB2 . 36384 1 113 . 1 . 1 16 16 LEU HB3 H 1 1.577 0.003 . 2 . . . . A 324 LEU HB3 . 36384 1 114 . 1 . 1 16 16 LEU HD11 H 1 0.952 0.002 . 2 . . . . A 324 LEU HD11 . 36384 1 115 . 1 . 1 16 16 LEU HD12 H 1 0.952 0.002 . 2 . . . . A 324 LEU HD12 . 36384 1 116 . 1 . 1 16 16 LEU HD13 H 1 0.952 0.002 . 2 . . . . A 324 LEU HD13 . 36384 1 117 . 1 . 1 16 16 LEU HD21 H 1 0.897 0 . 2 . . . . A 324 LEU HD21 . 36384 1 118 . 1 . 1 16 16 LEU HD22 H 1 0.897 0 . 2 . . . . A 324 LEU HD22 . 36384 1 119 . 1 . 1 16 16 LEU HD23 H 1 0.897 0 . 2 . . . . A 324 LEU HD23 . 36384 1 120 . 1 . 1 16 16 LEU CA C 13 57.42 0.054 . 1 . . . . A 324 LEU CA . 36384 1 121 . 1 . 1 16 16 LEU CB C 13 41.105 0.04 . 1 . . . . A 324 LEU CB . 36384 1 122 . 1 . 1 16 16 LEU CG C 13 26.533 0.088 . 1 . . . . A 324 LEU CG . 36384 1 123 . 1 . 1 16 16 LEU CD1 C 13 24.335 0.041 . 2 . . . . A 324 LEU CD1 . 36384 1 124 . 1 . 1 16 16 LEU CD2 C 13 22.982 0.01 . 2 . . . . A 324 LEU CD2 . 36384 1 125 . 1 . 1 16 16 LEU N N 15 124.162 0.025 . 1 . . . . A 324 LEU N . 36384 1 126 . 1 . 1 17 17 ALA H H 1 8.777 0.005 . 1 . . . . A 325 ALA H . 36384 1 127 . 1 . 1 17 17 ALA HA H 1 3.941 0.003 . 1 . . . . A 325 ALA HA . 36384 1 128 . 1 . 1 17 17 ALA HB1 H 1 1.406 0.003 . 1 . . . . A 325 ALA HB1 . 36384 1 129 . 1 . 1 17 17 ALA HB2 H 1 1.406 0.003 . 1 . . . . A 325 ALA HB2 . 36384 1 130 . 1 . 1 17 17 ALA HB3 H 1 1.406 0.003 . 1 . . . . A 325 ALA HB3 . 36384 1 131 . 1 . 1 17 17 ALA CA C 13 54.574 0.06 . 1 . . . . A 325 ALA CA . 36384 1 132 . 1 . 1 17 17 ALA CB C 13 17.976 0.058 . 1 . . . . A 325 ALA CB . 36384 1 133 . 1 . 1 17 17 ALA N N 15 119.579 0.017 . 1 . . . . A 325 ALA N . 36384 1 134 . 1 . 1 18 18 ASP H H 1 7.471 0.002 . 1 . . . . A 326 ASP H . 36384 1 135 . 1 . 1 18 18 ASP HA H 1 4.416 0.002 . 1 . . . . A 326 ASP HA . 36384 1 136 . 1 . 1 18 18 ASP HB2 H 1 2.779 0.003 . 1 . . . . A 326 ASP HB2 . 36384 1 137 . 1 . 1 18 18 ASP CA C 13 56.133 0.066 . 1 . . . . A 326 ASP CA . 36384 1 138 . 1 . 1 18 18 ASP CB C 13 40.055 0.047 . 1 . . . . A 326 ASP CB . 36384 1 139 . 1 . 1 18 18 ASP N N 15 117.558 0.021 . 1 . . . . A 326 ASP N . 36384 1 140 . 1 . 1 19 19 LEU H H 1 7.825 0.001 . 1 . . . . A 327 LEU H . 36384 1 141 . 1 . 1 19 19 LEU HA H 1 4.194 0.004 . 1 . . . . A 327 LEU HA . 36384 1 142 . 1 . 1 19 19 LEU HB2 H 1 1.807 0.006 . 2 . . . . A 327 LEU HB2 . 36384 1 143 . 1 . 1 19 19 LEU HB3 H 1 1.638 0.005 . 2 . . . . A 327 LEU HB3 . 36384 1 144 . 1 . 1 19 19 LEU HD11 H 1 0.897 0.004 . 2 . . . . A 327 LEU HD11 . 36384 1 145 . 1 . 1 19 19 LEU HD12 H 1 0.897 0.004 . 2 . . . . A 327 LEU HD12 . 36384 1 146 . 1 . 1 19 19 LEU HD13 H 1 0.897 0.004 . 2 . . . . A 327 LEU HD13 . 36384 1 147 . 1 . 1 19 19 LEU HD21 H 1 0.844 0 . 2 . . . . A 327 LEU HD21 . 36384 1 148 . 1 . 1 19 19 LEU HD22 H 1 0.844 0 . 2 . . . . A 327 LEU HD22 . 36384 1 149 . 1 . 1 19 19 LEU HD23 H 1 0.844 0 . 2 . . . . A 327 LEU HD23 . 36384 1 150 . 1 . 1 19 19 LEU CA C 13 56.807 0.09 . 1 . . . . A 327 LEU CA . 36384 1 151 . 1 . 1 19 19 LEU CB C 13 41.711 0.047 . 1 . . . . A 327 LEU CB . 36384 1 152 . 1 . 1 19 19 LEU CG C 13 26.531 0.03 . 1 . . . . A 327 LEU CG . 36384 1 153 . 1 . 1 19 19 LEU CD1 C 13 24.181 0.066 . 2 . . . . A 327 LEU CD1 . 36384 1 154 . 1 . 1 19 19 LEU CD2 C 13 23.131 0.001 . 2 . . . . A 327 LEU CD2 . 36384 1 155 . 1 . 1 19 19 LEU N N 15 121.069 0.016 . 1 . . . . A 327 LEU N . 36384 1 156 . 1 . 1 20 20 ALA H H 1 8.448 0.002 . 1 . . . . A 328 ALA H . 36384 1 157 . 1 . 1 20 20 ALA HA H 1 4.006 0.001 . 1 . . . . A 328 ALA HA . 36384 1 158 . 1 . 1 20 20 ALA HB1 H 1 1.412 0.002 . 1 . . . . A 328 ALA HB1 . 36384 1 159 . 1 . 1 20 20 ALA HB2 H 1 1.412 0.002 . 1 . . . . A 328 ALA HB2 . 36384 1 160 . 1 . 1 20 20 ALA HB3 H 1 1.412 0.002 . 1 . . . . A 328 ALA HB3 . 36384 1 161 . 1 . 1 20 20 ALA CA C 13 54.305 0.045 . 1 . . . . A 328 ALA CA . 36384 1 162 . 1 . 1 20 20 ALA CB C 13 18.095 0.06 . 1 . . . . A 328 ALA CB . 36384 1 163 . 1 . 1 20 20 ALA N N 15 120.005 0.021 . 1 . . . . A 328 ALA N . 36384 1 164 . 1 . 1 21 21 SER H H 1 8.023 0.003 . 1 . . . . A 329 SER H . 36384 1 165 . 1 . 1 21 21 SER HA H 1 4.027 0.008 . 1 . . . . A 329 SER HA . 36384 1 166 . 1 . 1 21 21 SER HB2 H 1 3.928 0.012 . 1 . . . . A 329 SER HB2 . 36384 1 167 . 1 . 1 21 21 SER CA C 13 61.486 0.08 . 1 . . . . A 329 SER CA . 36384 1 168 . 1 . 1 21 21 SER CB C 13 62.337 0.045 . 1 . . . . A 329 SER CB . 36384 1 169 . 1 . 1 21 21 SER N N 15 112.143 0.013 . 1 . . . . A 329 SER N . 36384 1 170 . 1 . 1 22 22 ASP H H 1 7.994 0.001 . 1 . . . . A 330 ASP H . 36384 1 171 . 1 . 1 22 22 ASP HA H 1 4.445 0.002 . 1 . . . . A 330 ASP HA . 36384 1 172 . 1 . 1 22 22 ASP HB2 H 1 2.819 0.005 . 2 . . . . A 330 ASP HB2 . 36384 1 173 . 1 . 1 22 22 ASP HB3 H 1 2.673 0.003 . 2 . . . . A 330 ASP HB3 . 36384 1 174 . 1 . 1 22 22 ASP CA C 13 56.795 0.073 . 1 . . . . A 330 ASP CA . 36384 1 175 . 1 . 1 22 22 ASP CB C 13 40.492 0.052 . 1 . . . . A 330 ASP CB . 36384 1 176 . 1 . 1 22 22 ASP N N 15 120.769 0.012 . 1 . . . . A 330 ASP N . 36384 1 177 . 1 . 1 23 23 LEU H H 1 8.01 0.001 . 1 . . . . A 331 LEU H . 36384 1 178 . 1 . 1 23 23 LEU HA H 1 4.107 0.003 . 1 . . . . A 331 LEU HA . 36384 1 179 . 1 . 1 23 23 LEU HB2 H 1 1.878 0.003 . 2 . . . . A 331 LEU HB2 . 36384 1 180 . 1 . 1 23 23 LEU HB3 H 1 1.552 0.004 . 2 . . . . A 331 LEU HB3 . 36384 1 181 . 1 . 1 23 23 LEU HD11 H 1 0.897 0 . 2 . . . . A 331 LEU HD11 . 36384 1 182 . 1 . 1 23 23 LEU HD12 H 1 0.897 0 . 2 . . . . A 331 LEU HD12 . 36384 1 183 . 1 . 1 23 23 LEU HD13 H 1 0.897 0 . 2 . . . . A 331 LEU HD13 . 36384 1 184 . 1 . 1 23 23 LEU HD21 H 1 0.845 0 . 2 . . . . A 331 LEU HD21 . 36384 1 185 . 1 . 1 23 23 LEU HD22 H 1 0.845 0 . 2 . . . . A 331 LEU HD22 . 36384 1 186 . 1 . 1 23 23 LEU HD23 H 1 0.845 0 . 2 . . . . A 331 LEU HD23 . 36384 1 187 . 1 . 1 23 23 LEU CA C 13 57.337 0.063 . 1 . . . . A 331 LEU CA . 36384 1 188 . 1 . 1 23 23 LEU CB C 13 41.748 0.061 . 1 . . . . A 331 LEU CB . 36384 1 189 . 1 . 1 23 23 LEU CG C 13 26.445 0.025 . 1 . . . . A 331 LEU CG . 36384 1 190 . 1 . 1 23 23 LEU CD1 C 13 24.813 0.047 . 2 . . . . A 331 LEU CD1 . 36384 1 191 . 1 . 1 23 23 LEU CD2 C 13 23.293 0.101 . 2 . . . . A 331 LEU CD2 . 36384 1 192 . 1 . 1 23 23 LEU N N 15 119.403 0.012 . 1 . . . . A 331 LEU N . 36384 1 193 . 1 . 1 24 24 LEU H H 1 8.152 0.003 . 1 . . . . A 332 LEU H . 36384 1 194 . 1 . 1 24 24 LEU HA H 1 4.101 0.005 . 1 . . . . A 332 LEU HA . 36384 1 195 . 1 . 1 24 24 LEU HB2 H 1 1.76 0.01 . 1 . . . . A 332 LEU HB2 . 36384 1 196 . 1 . 1 24 24 LEU CA C 13 57.594 0.064 . 1 . . . . A 332 LEU CA . 36384 1 197 . 1 . 1 24 24 LEU CB C 13 41.388 0.059 . 1 . . . . A 332 LEU CB . 36384 1 198 . 1 . 1 24 24 LEU CG C 13 26.809 0 . 1 . . . . A 332 LEU CG . 36384 1 199 . 1 . 1 24 24 LEU CD1 C 13 24.264 0 . 1 . . . . A 332 LEU CD1 . 36384 1 200 . 1 . 1 24 24 LEU N N 15 118.61 0.024 . 1 . . . . A 332 LEU N . 36384 1 201 . 1 . 1 25 25 LEU H H 1 8.278 0.002 . 1 . . . . A 333 LEU H . 36384 1 202 . 1 . 1 25 25 LEU HA H 1 4.005 0.006 . 1 . . . . A 333 LEU HA . 36384 1 203 . 1 . 1 25 25 LEU HB2 H 1 1.891 0.002 . 2 . . . . A 333 LEU HB2 . 36384 1 204 . 1 . 1 25 25 LEU HB3 H 1 1.695 0.006 . 2 . . . . A 333 LEU HB3 . 36384 1 205 . 1 . 1 25 25 LEU HD11 H 1 0.94 0 . 1 . . . . A 333 LEU HD11 . 36384 1 206 . 1 . 1 25 25 LEU HD12 H 1 0.94 0 . 1 . . . . A 333 LEU HD12 . 36384 1 207 . 1 . 1 25 25 LEU HD13 H 1 0.94 0 . 1 . . . . A 333 LEU HD13 . 36384 1 208 . 1 . 1 25 25 LEU CA C 13 57.881 0.045 . 1 . . . . A 333 LEU CA . 36384 1 209 . 1 . 1 25 25 LEU CB C 13 40.891 0.069 . 1 . . . . A 333 LEU CB . 36384 1 210 . 1 . 1 25 25 LEU CG C 13 26.689 0.057 . 1 . . . . A 333 LEU CG . 36384 1 211 . 1 . 1 25 25 LEU CD1 C 13 23.762 0.038 . 1 . . . . A 333 LEU CD1 . 36384 1 212 . 1 . 1 25 25 LEU N N 15 118.392 0.016 . 1 . . . . A 333 LEU N . 36384 1 213 . 1 . 1 26 26 GLN H H 1 8.113 0.003 . 1 . . . . A 334 GLN H . 36384 1 214 . 1 . 1 26 26 GLN HA H 1 3.99 0.002 . 1 . . . . A 334 GLN HA . 36384 1 215 . 1 . 1 26 26 GLN HB2 H 1 2.14 0.002 . 2 . . . . A 334 GLN HB2 . 36384 1 216 . 1 . 1 26 26 GLN HB3 H 1 2.052 0.002 . 2 . . . . A 334 GLN HB3 . 36384 1 217 . 1 . 1 26 26 GLN CA C 13 58.271 0.051 . 1 . . . . A 334 GLN CA . 36384 1 218 . 1 . 1 26 26 GLN CB C 13 27.898 0.062 . 1 . . . . A 334 GLN CB . 36384 1 219 . 1 . 1 26 26 GLN CG C 13 33.256 0.032 . 1 . . . . A 334 GLN CG . 36384 1 220 . 1 . 1 26 26 GLN N N 15 116.631 0.024 . 1 . . . . A 334 GLN N . 36384 1 221 . 1 . 1 27 27 TYR H H 1 7.971 0.002 . 1 . . . . A 335 TYR H . 36384 1 222 . 1 . 1 27 27 TYR HA H 1 4.272 0.002 . 1 . . . . A 335 TYR HA . 36384 1 223 . 1 . 1 27 27 TYR HB2 H 1 3.099 0.001 . 1 . . . . A 335 TYR HB2 . 36384 1 224 . 1 . 1 27 27 TYR CA C 13 60.676 0.072 . 1 . . . . A 335 TYR CA . 36384 1 225 . 1 . 1 27 27 TYR CB C 13 38.311 0.036 . 1 . . . . A 335 TYR CB . 36384 1 226 . 1 . 1 27 27 TYR N N 15 117.965 0.021 . 1 . . . . A 335 TYR N . 36384 1 227 . 1 . 1 28 28 LEU H H 1 8.221 0.003 . 1 . . . . A 336 LEU H . 36384 1 228 . 1 . 1 28 28 LEU HA H 1 4.099 0.001 . 1 . . . . A 336 LEU HA . 36384 1 229 . 1 . 1 28 28 LEU HB2 H 1 1.893 0.003 . 2 . . . . A 336 LEU HB2 . 36384 1 230 . 1 . 1 28 28 LEU HB3 H 1 1.56 0.003 . 2 . . . . A 336 LEU HB3 . 36384 1 231 . 1 . 1 28 28 LEU HD11 H 1 0.916 0 . 2 . . . . A 336 LEU HD11 . 36384 1 232 . 1 . 1 28 28 LEU HD12 H 1 0.916 0 . 2 . . . . A 336 LEU HD12 . 36384 1 233 . 1 . 1 28 28 LEU HD13 H 1 0.916 0 . 2 . . . . A 336 LEU HD13 . 36384 1 234 . 1 . 1 28 28 LEU HD21 H 1 0.844 0 . 2 . . . . A 336 LEU HD21 . 36384 1 235 . 1 . 1 28 28 LEU HD22 H 1 0.844 0 . 2 . . . . A 336 LEU HD22 . 36384 1 236 . 1 . 1 28 28 LEU HD23 H 1 0.844 0 . 2 . . . . A 336 LEU HD23 . 36384 1 237 . 1 . 1 28 28 LEU CA C 13 56.649 0.047 . 1 . . . . A 336 LEU CA . 36384 1 238 . 1 . 1 28 28 LEU CB C 13 42.071 0.056 . 1 . . . . A 336 LEU CB . 36384 1 239 . 1 . 1 28 28 LEU CG C 13 26.384 0.058 . 1 . . . . A 336 LEU CG . 36384 1 240 . 1 . 1 28 28 LEU CD1 C 13 24.85 0.069 . 2 . . . . A 336 LEU CD1 . 36384 1 241 . 1 . 1 28 28 LEU CD2 C 13 23.127 0.102 . 2 . . . . A 336 LEU CD2 . 36384 1 242 . 1 . 1 28 28 LEU N N 15 117.384 0.018 . 1 . . . . A 336 LEU N . 36384 1 243 . 1 . 1 29 29 LEU H H 1 8.041 0.003 . 1 . . . . A 337 LEU H . 36384 1 244 . 1 . 1 29 29 LEU HA H 1 4.287 0.003 . 1 . . . . A 337 LEU HA . 36384 1 245 . 1 . 1 29 29 LEU HB2 H 1 1.826 0.015 . 2 . . . . A 337 LEU HB2 . 36384 1 246 . 1 . 1 29 29 LEU HB3 H 1 1.588 0.005 . 2 . . . . A 337 LEU HB3 . 36384 1 247 . 1 . 1 29 29 LEU CA C 13 55.398 0.047 . 1 . . . . A 337 LEU CA . 36384 1 248 . 1 . 1 29 29 LEU CB C 13 41.442 0.068 . 1 . . . . A 337 LEU CB . 36384 1 249 . 1 . 1 29 29 LEU CG C 13 26.482 0 . 1 . . . . A 337 LEU CG . 36384 1 250 . 1 . 1 29 29 LEU CD1 C 13 24.856 0 . 2 . . . . A 337 LEU CD1 . 36384 1 251 . 1 . 1 29 29 LEU CD2 C 13 22.66 0 . 2 . . . . A 337 LEU CD2 . 36384 1 252 . 1 . 1 29 29 LEU N N 15 116.4 0.022 . 1 . . . . A 337 LEU N . 36384 1 253 . 1 . 1 30 30 GLN H H 1 7.834 0.002 . 1 . . . . A 338 GLN H . 36384 1 254 . 1 . 1 30 30 GLN HA H 1 4.258 0.005 . 1 . . . . A 338 GLN HA . 36384 1 255 . 1 . 1 30 30 GLN HB2 H 1 2.107 0.018 . 1 . . . . A 338 GLN HB2 . 36384 1 256 . 1 . 1 30 30 GLN HG2 H 1 2.369 0.013 . 1 . . . . A 338 GLN HG2 . 36384 1 257 . 1 . 1 30 30 GLN CA C 13 55.957 0.067 . 1 . . . . A 338 GLN CA . 36384 1 258 . 1 . 1 30 30 GLN CB C 13 28.238 0.038 . 1 . . . . A 338 GLN CB . 36384 1 259 . 1 . 1 30 30 GLN CG C 13 33.393 0.058 . 1 . . . . A 338 GLN CG . 36384 1 260 . 1 . 1 30 30 GLN N N 15 117.312 0.025 . 1 . . . . A 338 GLN N . 36384 1 261 . 1 . 1 31 31 GLY H H 1 8.187 0.005 . 1 . . . . A 339 GLY H . 36384 1 262 . 1 . 1 31 31 GLY HA2 H 1 3.886 0.007 . 1 . . . . A 339 GLY HA2 . 36384 1 263 . 1 . 1 31 31 GLY CA C 13 45.169 0.031 . 1 . . . . A 339 GLY CA . 36384 1 264 . 1 . 1 31 31 GLY N N 15 108.149 0.028 . 1 . . . . A 339 GLY N . 36384 1 265 . 1 . 1 32 32 GLY H H 1 8.166 0.003 . 1 . . . . A 340 GLY H . 36384 1 266 . 1 . 1 32 32 GLY HA2 H 1 3.85 0.006 . 1 . . . . A 340 GLY HA2 . 36384 1 267 . 1 . 1 32 32 GLY CA C 13 44.918 0.065 . 1 . . . . A 340 GLY CA . 36384 1 268 . 1 . 1 32 32 GLY N N 15 108.11 0.006 . 1 . . . . A 340 GLY N . 36384 1 269 . 1 . 1 33 33 ALA H H 1 8.128 0.002 . 1 . . . . A 341 ALA H . 36384 1 270 . 1 . 1 33 33 ALA HA H 1 4.24 0.008 . 1 . . . . A 341 ALA HA . 36384 1 271 . 1 . 1 33 33 ALA HB1 H 1 1.37 0.001 . 1 . . . . A 341 ALA HB1 . 36384 1 272 . 1 . 1 33 33 ALA HB2 H 1 1.37 0.001 . 1 . . . . A 341 ALA HB2 . 36384 1 273 . 1 . 1 33 33 ALA HB3 H 1 1.37 0.001 . 1 . . . . A 341 ALA HB3 . 36384 1 274 . 1 . 1 33 33 ALA CA C 13 52.443 0.04 . 1 . . . . A 341 ALA CA . 36384 1 275 . 1 . 1 33 33 ALA CB C 13 18.542 0.016 . 1 . . . . A 341 ALA CB . 36384 1 276 . 1 . 1 33 33 ALA N N 15 122.918 0.014 . 1 . . . . A 341 ALA N . 36384 1 277 . 1 . 1 34 34 ARG H H 1 8.152 0.003 . 1 . . . . A 342 ARG H . 36384 1 278 . 1 . 1 34 34 ARG HA H 1 4.227 0.002 . 1 . . . . A 342 ARG HA . 36384 1 279 . 1 . 1 34 34 ARG HB2 H 1 1.839 0.001 . 2 . . . . A 342 ARG HB2 . 36384 1 280 . 1 . 1 34 34 ARG HB3 H 1 1.761 0.001 . 2 . . . . A 342 ARG HB3 . 36384 1 281 . 1 . 1 34 34 ARG HG2 H 1 1.642 0.006 . 1 . . . . A 342 ARG HG2 . 36384 1 282 . 1 . 1 34 34 ARG HD2 H 1 3.174 0 . 1 . . . . A 342 ARG HD2 . 36384 1 283 . 1 . 1 34 34 ARG CA C 13 56.034 0.066 . 1 . . . . A 342 ARG CA . 36384 1 284 . 1 . 1 34 34 ARG CB C 13 29.956 0.046 . 1 . . . . A 342 ARG CB . 36384 1 285 . 1 . 1 34 34 ARG CG C 13 26.668 0.075 . 1 . . . . A 342 ARG CG . 36384 1 286 . 1 . 1 34 34 ARG CD C 13 42.723 0.044 . 1 . . . . A 342 ARG CD . 36384 1 287 . 1 . 1 34 34 ARG N N 15 118.596 0.019 . 1 . . . . A 342 ARG N . 36384 1 288 . 1 . 1 35 35 GLN H H 1 8.231 0.003 . 1 . . . . A 343 GLN H . 36384 1 289 . 1 . 1 35 35 GLN HA H 1 4.253 0.004 . 1 . . . . A 343 GLN HA . 36384 1 290 . 1 . 1 35 35 GLN HB2 H 1 1.994 0.004 . 2 . . . . A 343 GLN HB2 . 36384 1 291 . 1 . 1 35 35 GLN HB3 H 1 2.088 0.004 . 2 . . . . A 343 GLN HB3 . 36384 1 292 . 1 . 1 35 35 GLN HG2 H 1 2.348 0.005 . 1 . . . . A 343 GLN HG2 . 36384 1 293 . 1 . 1 35 35 GLN CA C 13 55.609 0.05 . 1 . . . . A 343 GLN CA . 36384 1 294 . 1 . 1 35 35 GLN CB C 13 28.709 0.082 . 1 . . . . A 343 GLN CB . 36384 1 295 . 1 . 1 35 35 GLN CG C 13 33.224 0.037 . 1 . . . . A 343 GLN CG . 36384 1 296 . 1 . 1 35 35 GLN N N 15 120.106 0.017 . 1 . . . . A 343 GLN N . 36384 1 297 . 1 . 1 36 36 ARG H H 1 8.199 0.003 . 1 . . . . A 344 ARG H . 36384 1 298 . 1 . 1 36 36 ARG HA H 1 4.298 0.005 . 1 . . . . A 344 ARG HA . 36384 1 299 . 1 . 1 36 36 ARG HB2 H 1 1.866 0.01 . 2 . . . . A 344 ARG HB2 . 36384 1 300 . 1 . 1 36 36 ARG HB3 H 1 1.769 0.004 . 2 . . . . A 344 ARG HB3 . 36384 1 301 . 1 . 1 36 36 ARG HG2 H 1 1.698 0.02 . 1 . . . . A 344 ARG HG2 . 36384 1 302 . 1 . 1 36 36 ARG HD2 H 1 3.166 0.005 . 1 . . . . A 344 ARG HD2 . 36384 1 303 . 1 . 1 36 36 ARG CA C 13 55.659 0.053 . 1 . . . . A 344 ARG CA . 36384 1 304 . 1 . 1 36 36 ARG CB C 13 30.291 0.044 . 1 . . . . A 344 ARG CB . 36384 1 305 . 1 . 1 36 36 ARG CG C 13 26.631 0.075 . 1 . . . . A 344 ARG CG . 36384 1 306 . 1 . 1 36 36 ARG CD C 13 42.796 0.057 . 1 . . . . A 344 ARG CD . 36384 1 307 . 1 . 1 36 36 ARG N N 15 121.036 0.014 . 1 . . . . A 344 ARG N . 36384 1 308 . 1 . 1 37 37 GLY H H 1 8.288 0.002 . 1 . . . . A 345 GLY H . 36384 1 309 . 1 . 1 37 37 GLY HA2 H 1 3.935 0.002 . 1 . . . . A 345 GLY HA2 . 36384 1 310 . 1 . 1 37 37 GLY CA C 13 44.825 0.066 . 1 . . . . A 345 GLY CA . 36384 1 311 . 1 . 1 37 37 GLY N N 15 108.99 0.022 . 1 . . . . A 345 GLY N . 36384 1 312 . 1 . 1 38 38 LEU H H 1 8.098 0.003 . 1 . . . . A 346 LEU H . 36384 1 313 . 1 . 1 38 38 LEU HA H 1 4.367 0.001 . 1 . . . . A 346 LEU HA . 36384 1 314 . 1 . 1 38 38 LEU HB2 H 1 1.611 0.003 . 1 . . . . A 346 LEU HB2 . 36384 1 315 . 1 . 1 38 38 LEU HG H 1 1.602 0.002 . 1 . . . . A 346 LEU HG . 36384 1 316 . 1 . 1 38 38 LEU HD11 H 1 0.897 0 . 2 . . . . A 346 LEU HD11 . 36384 1 317 . 1 . 1 38 38 LEU HD12 H 1 0.897 0 . 2 . . . . A 346 LEU HD12 . 36384 1 318 . 1 . 1 38 38 LEU HD13 H 1 0.897 0 . 2 . . . . A 346 LEU HD13 . 36384 1 319 . 1 . 1 38 38 LEU HD21 H 1 0.843 0.001 . 2 . . . . A 346 LEU HD21 . 36384 1 320 . 1 . 1 38 38 LEU HD22 H 1 0.843 0.001 . 2 . . . . A 346 LEU HD22 . 36384 1 321 . 1 . 1 38 38 LEU HD23 H 1 0.843 0.001 . 2 . . . . A 346 LEU HD23 . 36384 1 322 . 1 . 1 38 38 LEU CA C 13 54.436 0.055 . 1 . . . . A 346 LEU CA . 36384 1 323 . 1 . 1 38 38 LEU CB C 13 41.94 0.074 . 1 . . . . A 346 LEU CB . 36384 1 324 . 1 . 1 38 38 LEU CG C 13 26.386 0.047 . 1 . . . . A 346 LEU CG . 36384 1 325 . 1 . 1 38 38 LEU CD1 C 13 24.53 0.048 . 2 . . . . A 346 LEU CD1 . 36384 1 326 . 1 . 1 38 38 LEU CD2 C 13 22.771 0.065 . 2 . . . . A 346 LEU CD2 . 36384 1 327 . 1 . 1 38 38 LEU N N 15 121.374 0.024 . 1 . . . . A 346 LEU N . 36384 1 328 . 1 . 1 39 39 GLY H H 1 7.899 0.002 . 1 . . . . A 347 GLY H . 36384 1 329 . 1 . 1 39 39 GLY HA2 H 1 3.734 0.002 . 2 . . . . A 347 GLY HA2 . 36384 1 330 . 1 . 1 39 39 GLY HA3 H 1 3.682 0.002 . 2 . . . . A 347 GLY HA3 . 36384 1 331 . 1 . 1 39 39 GLY CA C 13 45.571 0.021 . 1 . . . . A 347 GLY CA . 36384 1 332 . 1 . 1 39 39 GLY N N 15 114.961 0.014 . 1 . . . . A 347 GLY N . 36384 1 stop_ save_