################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17371 _Assigned_chem_shift_list.ID 1 _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 '3D HNCO' . . . 17371 1 2 '3D HNCA' . . . 17371 1 3 '3D CBCA(CO)NH' . . . 17371 1 4 '3D HBHA(CO)NH' . . . 17371 1 5 '3D HCCH-TOCSY' . . . 17371 1 6 '3D (H)CCH-TOCSY' . . . 17371 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 20 20 MET H H 1 9.048 0.04 . 1 . . . . 1 MET H . 17371 1 2 . 1 1 20 20 MET HA H 1 4.609 0.04 . 1 . . . . 1 MET HA . 17371 1 3 . 1 1 20 20 MET HB2 H 1 1.792 0.04 . 2 . . . . 1 MET HB2 . 17371 1 4 . 1 1 20 20 MET HB3 H 1 1.792 0.04 . 2 . . . . 1 MET HB3 . 17371 1 5 . 1 1 20 20 MET HG2 H 1 2.248 0.04 . 2 . . . . 1 MET HG2 . 17371 1 6 . 1 1 20 20 MET HG3 H 1 2.079 0.04 . 2 . . . . 1 MET HG3 . 17371 1 7 . 1 1 20 20 MET HE1 H 1 1.693 0.04 . . . . . . 1 MET HE . 17371 1 8 . 1 1 20 20 MET HE2 H 1 1.693 0.04 . . . . . . 1 MET HE . 17371 1 9 . 1 1 20 20 MET HE3 H 1 1.693 0.04 . . . . . . 1 MET HE . 17371 1 10 . 1 1 20 20 MET C C 13 177.527 0.4 . 1 . . . . 1 MET C . 17371 1 11 . 1 1 20 20 MET CA C 13 54.381 0.40 . 1 . . . . 1 MET CA . 17371 1 12 . 1 1 20 20 MET CB C 13 35.602 0.40 . 1 . . . . 1 MET CB . 17371 1 13 . 1 1 20 20 MET CG C 13 31.302 0.40 . 1 . . . . 1 MET CG . 17371 1 14 . 1 1 20 20 MET CE C 13 17.150 0.40 . 1 . . . . 1 MET CE . 17371 1 15 . 1 1 20 20 MET N N 15 119.795 0.40 . 1 . . . . 1 MET N . 17371 1 16 . 1 1 21 21 GLN H H 1 8.299 0.04 . 1 . . . . 2 GLN H . 17371 1 17 . 1 1 21 21 GLN HA H 1 4.537 0.04 . 1 . . . . 2 GLN HA . 17371 1 18 . 1 1 21 21 GLN HB2 H 1 1.722 0.04 . 2 . . . . 2 GLN HB2 . 17371 1 19 . 1 1 21 21 GLN HB3 H 1 1.539 0.04 . 2 . . . . 2 GLN HB3 . 17371 1 20 . 1 1 21 21 GLN HG2 H 1 1.958 0.04 . 2 . . . . 2 GLN HG2 . 17371 1 21 . 1 1 21 21 GLN HG3 H 1 1.630 0.04 . 2 . . . . 2 GLN HG3 . 17371 1 22 . 1 1 21 21 GLN HE21 H 1 6.683 0.04 . 2 . . . . 2 GLN HE21 . 17371 1 23 . 1 1 21 21 GLN HE22 H 1 7.068 0.04 . 2 . . . . 2 GLN HE22 . 17371 1 24 . 1 1 21 21 GLN C C 13 173.897 0.4 . 1 . . . . 2 GLN C . 17371 1 25 . 1 1 21 21 GLN CA C 13 55.746 0.40 . 1 . . . . 2 GLN CA . 17371 1 26 . 1 1 21 21 GLN CB C 13 29.774 0.40 . 1 . . . . 2 GLN CB . 17371 1 27 . 1 1 21 21 GLN CG C 13 34.338 0.40 . 1 . . . . 2 GLN CG . 17371 1 28 . 1 1 21 21 GLN N N 15 122.076 0.40 . 1 . . . . 2 GLN N . 17371 1 29 . 1 1 21 21 GLN NE2 N 15 111.600 0.04 . 1 . . . . 2 GLN NE2 . 17371 1 30 . 1 1 22 22 LEU H H 1 8.623 0.04 . 1 . . . . 3 LEU H . 17371 1 31 . 1 1 22 22 LEU HA H 1 4.319 0.04 . 1 . . . . 3 LEU HA . 17371 1 32 . 1 1 22 22 LEU HB2 H 1 1.386 0.04 . 2 . . . . 3 LEU HB2 . 17371 1 33 . 1 1 22 22 LEU HB3 H 1 1.097 0.04 . 2 . . . . 3 LEU HB3 . 17371 1 34 . 1 1 22 22 LEU HD11 H 1 0.580 0.04 . 2 . . . . 3 LEU HD1 . 17371 1 35 . 1 1 22 22 LEU HD12 H 1 0.580 0.04 . 2 . . . . 3 LEU HD1 . 17371 1 36 . 1 1 22 22 LEU HD13 H 1 0.580 0.04 . 2 . . . . 3 LEU HD1 . 17371 1 37 . 1 1 22 22 LEU HD21 H 1 0.690 0.04 . 2 . . . . 3 LEU HD2 . 17371 1 38 . 1 1 22 22 LEU HD22 H 1 0.690 0.04 . 2 . . . . 3 LEU HD2 . 17371 1 39 . 1 1 22 22 LEU HD23 H 1 0.690 0.04 . 2 . . . . 3 LEU HD2 . 17371 1 40 . 1 1 22 22 LEU C C 13 176.831 0.4 . 1 . . . . 3 LEU C . 17371 1 41 . 1 1 22 22 LEU CA C 13 53.153 0.40 . 1 . . . . 3 LEU CA . 17371 1 42 . 1 1 22 22 LEU CB C 13 46.847 0.40 . 1 . . . . 3 LEU CB . 17371 1 43 . 1 1 22 22 LEU CD1 C 13 27.134 0.40 . 2 . . . . 3 LEU CD1 . 17371 1 44 . 1 1 22 22 LEU CD2 C 13 24.410 0.40 . 2 . . . . 3 LEU CD2 . 17371 1 45 . 1 1 22 22 LEU N N 15 126.077 0.40 . 1 . . . . 3 LEU N . 17371 1 46 . 1 1 23 23 PHE H H 1 8.272 0.04 . 1 . . . . 4 PHE H . 17371 1 47 . 1 1 23 23 PHE HA H 1 5.537 0.04 . 1 . . . . 4 PHE HA . 17371 1 48 . 1 1 23 23 PHE HB2 H 1 3.166 0.04 . 2 . . . . 4 PHE HB2 . 17371 1 49 . 1 1 23 23 PHE HB3 H 1 2.854 0.04 . 2 . . . . 4 PHE HB3 . 17371 1 50 . 1 1 23 23 PHE HD1 H 1 7.008 0.04 . 3 . . . . 4 PHE HD1 . 17371 1 51 . 1 1 23 23 PHE HD2 H 1 7.008 0.04 . 3 . . . . 4 PHE HD2 . 17371 1 52 . 1 1 23 23 PHE HE1 H 1 7.094 0.04 . 3 . . . . 4 PHE HE1 . 17371 1 53 . 1 1 23 23 PHE HE2 H 1 7.094 0.04 . 3 . . . . 4 PHE HE2 . 17371 1 54 . 1 1 23 23 PHE HZ H 1 7.064 0.04 . 1 . . . . 4 PHE HZ . 17371 1 55 . 1 1 23 23 PHE C C 13 175.330 0.4 . 1 . . . . 4 PHE C . 17371 1 56 . 1 1 23 23 PHE CA C 13 55.500 0.40 . 1 . . . . 4 PHE CA . 17371 1 57 . 1 1 23 23 PHE CB C 13 40.529 0.40 . 1 . . . . 4 PHE CB . 17371 1 58 . 1 1 23 23 PHE CD1 C 13 132.094 0.40 . 3 . . . . 4 PHE CD1 . 17371 1 59 . 1 1 23 23 PHE CD2 C 13 132.094 0.40 . 3 . . . . 4 PHE CD2 . 17371 1 60 . 1 1 23 23 PHE CE1 C 13 131.059 0.40 . 3 . . . . 4 PHE CE1 . 17371 1 61 . 1 1 23 23 PHE CE2 C 13 131.059 0.40 . 3 . . . . 4 PHE CE2 . 17371 1 62 . 1 1 23 23 PHE CZ C 13 129.343 0.40 . 1 . . . . 4 PHE CZ . 17371 1 63 . 1 1 23 23 PHE N N 15 122.383 0.40 . 1 . . . . 4 PHE N . 17371 1 64 . 1 1 24 24 VAL H H 1 9.191 0.04 . 1 . . . . 5 VAL H . 17371 1 65 . 1 1 24 24 VAL HA H 1 4.797 0.04 . 1 . . . . 5 VAL HA . 17371 1 66 . 1 1 24 24 VAL HB H 1 1.779 0.04 . 1 . . . . 5 VAL HB . 17371 1 67 . 1 1 24 24 VAL HG11 H 1 0.653 0.04 . 2 . . . . 5 VAL HG1 . 17371 1 68 . 1 1 24 24 VAL HG12 H 1 0.653 0.04 . 2 . . . . 5 VAL HG1 . 17371 1 69 . 1 1 24 24 VAL HG13 H 1 0.653 0.04 . 2 . . . . 5 VAL HG1 . 17371 1 70 . 1 1 24 24 VAL C C 13 174.197 0.4 . 1 . . . . 5 VAL C . 17371 1 71 . 1 1 24 24 VAL CA C 13 60.496 0.40 . 1 . . . . 5 VAL CA . 17371 1 72 . 1 1 24 24 VAL CB C 13 35.056 0.40 . 1 . . . . 5 VAL CB . 17371 1 73 . 1 1 24 24 VAL CG1 C 13 21.740 0.40 . 2 . . . . 5 VAL CG1 . 17371 1 74 . 1 1 24 24 VAL N N 15 121.004 0.40 . 1 . . . . 5 VAL N . 17371 1 75 . 1 1 25 25 ARG H H 1 9.254 0.04 . 1 . . . . 6 ARG H . 17371 1 76 . 1 1 25 25 ARG HA H 1 4.786 0.04 . 1 . . . . 6 ARG HA . 17371 1 77 . 1 1 25 25 ARG HB2 H 1 1.887 0.04 . 2 . . . . 6 ARG HB2 . 17371 1 78 . 1 1 25 25 ARG HB3 H 1 1.437 0.04 . 2 . . . . 6 ARG HB3 . 17371 1 79 . 1 1 25 25 ARG HG2 H 1 1.526 0.04 . 2 . . . . 6 ARG HG2 . 17371 1 80 . 1 1 25 25 ARG HG3 H 1 1.526 0.04 . 2 . . . . 6 ARG HG3 . 17371 1 81 . 1 1 25 25 ARG HD2 H 1 3.045 0.04 . 2 . . . . 6 ARG HD2 . 17371 1 82 . 1 1 25 25 ARG HD3 H 1 3.045 0.04 . 2 . . . . 6 ARG HD3 . 17371 1 83 . 1 1 25 25 ARG C C 13 174.210 0.4 . 1 . . . . 6 ARG C . 17371 1 84 . 1 1 25 25 ARG CA C 13 54.982 0.40 . 1 . . . . 6 ARG CA . 17371 1 85 . 1 1 25 25 ARG CB C 13 32.059 0.40 . 1 . . . . 6 ARG CB . 17371 1 86 . 1 1 25 25 ARG CG C 13 27.052 0.40 . 1 . . . . 6 ARG CG . 17371 1 87 . 1 1 25 25 ARG CD C 13 43.178 0.40 . 1 . . . . 6 ARG CD . 17371 1 88 . 1 1 25 25 ARG N N 15 129.567 0.40 . 1 . . . . 6 ARG N . 17371 1 89 . 1 1 26 26 ALA H H 1 8.407 0.04 . 1 . . . . 7 ALA H . 17371 1 90 . 1 1 26 26 ALA HA H 1 4.873 0.04 . 1 . . . . 7 ALA HA . 17371 1 91 . 1 1 26 26 ALA HB1 H 1 1.453 0.04 . 1 . . . . 7 ALA HB . 17371 1 92 . 1 1 26 26 ALA HB2 H 1 1.453 0.04 . 1 . . . . 7 ALA HB . 17371 1 93 . 1 1 26 26 ALA HB3 H 1 1.453 0.04 . 1 . . . . 7 ALA HB . 17371 1 94 . 1 1 26 26 ALA C C 13 176.926 0.4 . 1 . . . . 7 ALA C . 17371 1 95 . 1 1 26 26 ALA CA C 13 51.980 0.40 . 1 . . . . 7 ALA CA . 17371 1 96 . 1 1 26 26 ALA CB C 13 17.968 0.40 . 1 . . . . 7 ALA CB . 17371 1 97 . 1 1 26 26 ALA N N 15 134.692 0.40 . 1 . . . . 7 ALA N . 17371 1 98 . 1 1 27 27 GLN H H 1 10.266 0.04 . 1 . . . . 8 GLN H . 17371 1 99 . 1 1 27 27 GLN HA H 1 4.151 0.04 . 1 . . . . 8 GLN HA . 17371 1 100 . 1 1 27 27 GLN HB2 H 1 2.074 0.04 . 2 . . . . 8 GLN HB2 . 17371 1 101 . 1 1 27 27 GLN HB3 H 1 2.183 0.04 . 2 . . . . 8 GLN HB3 . 17371 1 102 . 1 1 27 27 GLN HG2 H 1 2.455 0.04 . 2 . . . . 8 GLN HG2 . 17371 1 103 . 1 1 27 27 GLN HG3 H 1 2.248 0.04 . 2 . . . . 8 GLN HG3 . 17371 1 104 . 1 1 27 27 GLN C C 13 177.650 0.4 . 1 . . . . 8 GLN C . 17371 1 105 . 1 1 27 27 GLN CA C 13 59.295 0.40 . 1 . . . . 8 GLN CA . 17371 1 106 . 1 1 27 27 GLN CB C 13 28.600 0.40 . 1 . . . . 8 GLN CB . 17371 1 107 . 1 1 27 27 GLN CG C 13 34.979 0.40 . 1 . . . . 8 GLN CG . 17371 1 108 . 1 1 27 27 GLN N N 15 127.746 0.40 . 1 . . . . 8 GLN N . 17371 1 109 . 1 1 28 28 GLU H H 1 8.627 0.04 . 1 . . . . 9 GLU H . 17371 1 110 . 1 1 28 28 GLU HA H 1 4.331 0.04 . 1 . . . . 9 GLU HA . 17371 1 111 . 1 1 28 28 GLU HB2 H 1 1.699 0.04 . 2 . . . . 9 GLU HB2 . 17371 1 112 . 1 1 28 28 GLU HB3 H 1 1.386 0.04 . 2 . . . . 9 GLU HB3 . 17371 1 113 . 1 1 28 28 GLU HG2 H 1 2.000 0.04 . 2 . . . . 9 GLU HG2 . 17371 1 114 . 1 1 28 28 GLU HG3 H 1 2.000 0.04 . 2 . . . . 9 GLU HG3 . 17371 1 115 . 1 1 28 28 GLU C C 13 173.801 0.4 . 1 . . . . 9 GLU C . 17371 1 116 . 1 1 28 28 GLU CA C 13 53.371 0.40 . 1 . . . . 9 GLU CA . 17371 1 117 . 1 1 28 28 GLU CB C 13 32.272 0.40 . 1 . . . . 9 GLU CB . 17371 1 118 . 1 1 28 28 GLU CG C 13 35.932 0.40 . 1 . . . . 9 GLU CG . 17371 1 119 . 1 1 28 28 GLU N N 15 117.769 0.40 . 1 . . . . 9 GLU N . 17371 1 120 . 1 1 29 29 LEU H H 1 8.162 0.04 . 1 . . . . 10 LEU H . 17371 1 121 . 1 1 29 29 LEU HA H 1 4.602 0.04 . 1 . . . . 10 LEU HA . 17371 1 122 . 1 1 29 29 LEU HB2 H 1 1.671 0.04 . 2 . . . . 10 LEU HB2 . 17371 1 123 . 1 1 29 29 LEU HB3 H 1 1.118 0.04 . 2 . . . . 10 LEU HB3 . 17371 1 124 . 1 1 29 29 LEU HG H 1 1.309 0.04 . 1 . . . . 10 LEU HG . 17371 1 125 . 1 1 29 29 LEU HD11 H 1 0.629 0.04 . 2 . . . . 10 LEU HD1 . 17371 1 126 . 1 1 29 29 LEU HD12 H 1 0.629 0.04 . 2 . . . . 10 LEU HD1 . 17371 1 127 . 1 1 29 29 LEU HD13 H 1 0.629 0.04 . 2 . . . . 10 LEU HD1 . 17371 1 128 . 1 1 29 29 LEU HD21 H 1 0.711 0.04 . 2 . . . . 10 LEU HD2 . 17371 1 129 . 1 1 29 29 LEU HD22 H 1 0.711 0.04 . 2 . . . . 10 LEU HD2 . 17371 1 130 . 1 1 29 29 LEU HD23 H 1 0.711 0.04 . 2 . . . . 10 LEU HD2 . 17371 1 131 . 1 1 29 29 LEU C C 13 175.739 0.4 . 1 . . . . 10 LEU C . 17371 1 132 . 1 1 29 29 LEU CA C 13 54.245 0.40 . 1 . . . . 10 LEU CA . 17371 1 133 . 1 1 29 29 LEU CB C 13 42.856 0.40 . 1 . . . . 10 LEU CB . 17371 1 134 . 1 1 29 29 LEU CG C 13 26.997 0.40 . 1 . . . . 10 LEU CG . 17371 1 135 . 1 1 29 29 LEU CD1 C 13 25.227 0.40 . 2 . . . . 10 LEU CD1 . 17371 1 136 . 1 1 29 29 LEU CD2 C 13 23.402 0.40 . 2 . . . . 10 LEU CD2 . 17371 1 137 . 1 1 29 29 LEU N N 15 121.140 0.40 . 1 . . . . 10 LEU N . 17371 1 138 . 1 1 30 30 HIS H H 1 9.030 0.04 . 1 . . . . 11 HIS H . 17371 1 139 . 1 1 30 30 HIS HA H 1 4.646 0.04 . 1 . . . . 11 HIS HA . 17371 1 140 . 1 1 30 30 HIS HB2 H 1 2.691 0.04 . 2 . . . . 11 HIS HB2 . 17371 1 141 . 1 1 30 30 HIS HB3 H 1 2.691 0.04 . 2 . . . . 11 HIS HB3 . 17371 1 142 . 1 1 30 30 HIS HD2 H 1 6.840 0.04 . 1 . . . . 11 HIS HD2 . 17371 1 143 . 1 1 30 30 HIS C C 13 174.552 0.4 . 1 . . . . 11 HIS C . 17371 1 144 . 1 1 30 30 HIS CA C 13 55.255 0.40 . 1 . . . . 11 HIS CA . 17371 1 145 . 1 1 30 30 HIS CB C 13 33.909 0.40 . 1 . . . . 11 HIS CB . 17371 1 146 . 1 1 30 30 HIS CD2 C 13 119.709 0.40 . 1 . . . . 11 HIS CD2 . 17371 1 147 . 1 1 30 30 HIS N N 15 128.018 0.40 . 1 . . . . 11 HIS N . 17371 1 148 . 1 1 31 31 THR H H 1 8.622 0.04 . 1 . . . . 12 THR H . 17371 1 149 . 1 1 31 31 THR HA H 1 4.913 0.04 . 1 . . . . 12 THR HA . 17371 1 150 . 1 1 31 31 THR HB H 1 3.821 0.04 . 1 . . . . 12 THR HB . 17371 1 151 . 1 1 31 31 THR HG21 H 1 0.927 0.04 . . . . . . 12 THR HG2 . 17371 1 152 . 1 1 31 31 THR HG22 H 1 0.927 0.04 . . . . . . 12 THR HG2 . 17371 1 153 . 1 1 31 31 THR HG23 H 1 0.927 0.04 . . . . . . 12 THR HG2 . 17371 1 154 . 1 1 31 31 THR C C 13 173.091 0.4 . 1 . . . . 12 THR C . 17371 1 155 . 1 1 31 31 THR CA C 13 61.123 0.40 . 1 . . . . 12 THR CA . 17371 1 156 . 1 1 31 31 THR CB C 13 70.186 0.40 . 1 . . . . 12 THR CB . 17371 1 157 . 1 1 31 31 THR CG2 C 13 20.541 0.40 . 1 . . . . 12 THR CG2 . 17371 1 158 . 1 1 31 31 THR N N 15 117.769 0.40 . 1 . . . . 12 THR N . 17371 1 159 . 1 1 32 32 PHE H H 1 8.743 0.04 . 1 . . . . 13 PHE H . 17371 1 160 . 1 1 32 32 PHE HA H 1 4.919 0.04 . 1 . . . . 13 PHE HA . 17371 1 161 . 1 1 32 32 PHE HB2 H 1 3.091 0.04 . 2 . . . . 13 PHE HB2 . 17371 1 162 . 1 1 32 32 PHE HB3 H 1 2.562 0.04 . 2 . . . . 13 PHE HB3 . 17371 1 163 . 1 1 32 32 PHE HD1 H 1 6.919 0.04 . 3 . . . . 13 PHE HD1 . 17371 1 164 . 1 1 32 32 PHE HD2 H 1 6.919 0.04 . 3 . . . . 13 PHE HD2 . 17371 1 165 . 1 1 32 32 PHE HE1 H 1 6.826 0.04 . 3 . . . . 13 PHE HE1 . 17371 1 166 . 1 1 32 32 PHE HE2 H 1 6.826 0.04 . 3 . . . . 13 PHE HE2 . 17371 1 167 . 1 1 32 32 PHE HZ H 1 6.657 0.04 . 1 . . . . 13 PHE HZ . 17371 1 168 . 1 1 32 32 PHE C C 13 173.678 0.4 . 1 . . . . 13 PHE C . 17371 1 169 . 1 1 32 32 PHE CA C 13 55.009 0.40 . 1 . . . . 13 PHE CA . 17371 1 170 . 1 1 32 32 PHE CB C 13 42.125 0.40 . 1 . . . . 13 PHE CB . 17371 1 171 . 1 1 32 32 PHE CD1 C 13 131.522 0.40 . 3 . . . . 13 PHE CD1 . 17371 1 172 . 1 1 32 32 PHE CD2 C 13 131.522 0.40 . 3 . . . . 13 PHE CD2 . 17371 1 173 . 1 1 32 32 PHE CE1 C 13 130.296 0.40 . 3 . . . . 13 PHE CE1 . 17371 1 174 . 1 1 32 32 PHE CE2 C 13 130.296 0.40 . 3 . . . . 13 PHE CE2 . 17371 1 175 . 1 1 32 32 PHE CZ C 13 128.362 0.40 . 1 . . . . 13 PHE CZ . 17371 1 176 . 1 1 32 32 PHE N N 15 124.477 0.40 . 1 . . . . 13 PHE N . 17371 1 177 . 1 1 33 33 GLU H H 1 8.431 0.04 . 1 . . . . 14 GLU H . 17371 1 178 . 1 1 33 33 GLU HA H 1 4.864 0.04 . 1 . . . . 14 GLU HA . 17371 1 179 . 1 1 33 33 GLU HB2 H 1 1.753 0.04 . 2 . . . . 14 GLU HB2 . 17371 1 180 . 1 1 33 33 GLU HB3 H 1 1.753 0.04 . 2 . . . . 14 GLU HB3 . 17371 1 181 . 1 1 33 33 GLU HG2 H 1 2.040 0.04 . 2 . . . . 14 GLU HG2 . 17371 1 182 . 1 1 33 33 GLU HG3 H 1 1.901 0.04 . 2 . . . . 14 GLU HG3 . 17371 1 183 . 1 1 33 33 GLU C C 13 176.271 0.4 . 1 . . . . 14 GLU C . 17371 1 184 . 1 1 33 33 GLU CA C 13 55.337 0.40 . 1 . . . . 14 GLU CA . 17371 1 185 . 1 1 33 33 GLU CB C 13 30.715 0.40 . 1 . . . . 14 GLU CB . 17371 1 186 . 1 1 33 33 GLU CG C 13 36.423 0.40 . 1 . . . . 14 GLU CG . 17371 1 187 . 1 1 33 33 GLU N N 15 121.327 0.40 . 1 . . . . 14 GLU N . 17371 1 188 . 1 1 34 34 VAL H H 1 8.885 0.04 . 1 . . . . 15 VAL H . 17371 1 189 . 1 1 34 34 VAL HA H 1 4.834 0.04 . 1 . . . . 15 VAL HA . 17371 1 190 . 1 1 34 34 VAL HB H 1 2.562 0.04 . 1 . . . . 15 VAL HB . 17371 1 191 . 1 1 34 34 VAL HG11 H 1 0.598 0.04 . 2 . . . . 15 VAL HG1 . 17371 1 192 . 1 1 34 34 VAL HG12 H 1 0.598 0.04 . 2 . . . . 15 VAL HG1 . 17371 1 193 . 1 1 34 34 VAL HG13 H 1 0.598 0.04 . 2 . . . . 15 VAL HG1 . 17371 1 194 . 1 1 34 34 VAL HG21 H 1 0.519 0.04 . 2 . . . . 15 VAL HG2 . 17371 1 195 . 1 1 34 34 VAL HG22 H 1 0.519 0.04 . 2 . . . . 15 VAL HG2 . 17371 1 196 . 1 1 34 34 VAL HG23 H 1 0.519 0.04 . 2 . . . . 15 VAL HG2 . 17371 1 197 . 1 1 34 34 VAL C C 13 175.452 0.4 . 1 . . . . 15 VAL C . 17371 1 198 . 1 1 34 34 VAL CA C 13 58.749 0.40 . 1 . . . . 15 VAL CA . 17371 1 199 . 1 1 34 34 VAL CB C 13 34.216 0.40 . 1 . . . . 15 VAL CB . 17371 1 200 . 1 1 34 34 VAL CG1 C 13 22.121 0.40 . 2 . . . . 15 VAL CG1 . 17371 1 201 . 1 1 34 34 VAL CG2 C 13 18.825 0.40 . 2 . . . . 15 VAL CG2 . 17371 1 202 . 1 1 34 34 VAL N N 15 116.849 0.40 . 1 . . . . 15 VAL N . 17371 1 203 . 1 1 35 35 THR H H 1 10.738 0.04 . 1 . . . . 16 THR H . 17371 1 204 . 1 1 35 35 THR HA H 1 4.550 0.04 . 1 . . . . 16 THR HA . 17371 1 205 . 1 1 35 35 THR HB H 1 4.293 0.04 . 1 . . . . 16 THR HB . 17371 1 206 . 1 1 35 35 THR HG21 H 1 1.163 0.04 . . . . . . 16 THR HG2 . 17371 1 207 . 1 1 35 35 THR HG22 H 1 1.163 0.04 . . . . . . 16 THR HG2 . 17371 1 208 . 1 1 35 35 THR HG23 H 1 1.163 0.04 . . . . . . 16 THR HG2 . 17371 1 209 . 1 1 35 35 THR C C 13 177.663 0.4 . 1 . . . . 16 THR C . 17371 1 210 . 1 1 35 35 THR CA C 13 62.405 0.40 . 1 . . . . 16 THR CA . 17371 1 211 . 1 1 35 35 THR CB C 13 71.468 0.40 . 1 . . . . 16 THR CB . 17371 1 212 . 1 1 35 35 THR CG2 C 13 21.413 0.40 . 1 . . . . 16 THR CG2 . 17371 1 213 . 1 1 35 35 THR N N 15 113.206 0.40 . 1 . . . . 16 THR N . 17371 1 214 . 1 1 36 36 GLY H H 1 9.884 0.04 . 1 . . . . 17 GLY H . 17371 1 215 . 1 1 36 36 GLY HA2 H 1 4.544 0.04 . 2 . . . . 17 GLY HA2 . 17371 1 216 . 1 1 36 36 GLY HA3 H 1 3.301 0.04 . 2 . . . . 17 GLY HA3 . 17371 1 217 . 1 1 36 36 GLY C C 13 173.596 0.4 . 1 . . . . 17 GLY C . 17371 1 218 . 1 1 36 36 GLY CA C 13 45.129 0.40 . 1 . . . . 17 GLY CA . 17371 1 219 . 1 1 36 36 GLY N N 15 112.253 0.40 . 1 . . . . 17 GLY N . 17371 1 220 . 1 1 37 37 GLN H H 1 7.872 0.04 . 1 . . . . 18 GLN H . 17371 1 221 . 1 1 37 37 GLN HA H 1 4.235 0.04 . 1 . . . . 18 GLN HA . 17371 1 222 . 1 1 37 37 GLN HB2 H 1 2.166 0.04 . 2 . . . . 18 GLN HB2 . 17371 1 223 . 1 1 37 37 GLN HB3 H 1 1.681 0.04 . 2 . . . . 18 GLN HB3 . 17371 1 224 . 1 1 37 37 GLN HG2 H 1 2.187 0.04 . 2 . . . . 18 GLN HG2 . 17371 1 225 . 1 1 37 37 GLN HG3 H 1 2.187 0.04 . 2 . . . . 18 GLN HG3 . 17371 1 226 . 1 1 37 37 GLN HE21 H 1 6.790 0.04 . 2 . . . . 18 GLN HE21 . 17371 1 227 . 1 1 37 37 GLN HE22 H 1 7.629 0.04 . 2 . . . . 18 GLN HE22 . 17371 1 228 . 1 1 37 37 GLN C C 13 175.643 0.4 . 1 . . . . 18 GLN C . 17371 1 229 . 1 1 37 37 GLN CA C 13 55.418 0.40 . 1 . . . . 18 GLN CA . 17371 1 230 . 1 1 37 37 GLN CB C 13 29.242 0.40 . 1 . . . . 18 GLN CB . 17371 1 231 . 1 1 37 37 GLN CG C 13 33.998 0.40 . 1 . . . . 18 GLN CG . 17371 1 232 . 1 1 37 37 GLN N N 15 118.126 0.40 . 1 . . . . 18 GLN N . 17371 1 233 . 1 1 37 37 GLN NE2 N 15 112.280 0.04 . 1 . . . . 18 GLN NE2 . 17371 1 234 . 1 1 38 38 GLU H H 1 9.311 0.04 . 1 . . . . 19 GLU H . 17371 1 235 . 1 1 38 38 GLU HA H 1 4.083 0.04 . 1 . . . . 19 GLU HA . 17371 1 236 . 1 1 38 38 GLU HB2 H 1 1.893 0.04 . 2 . . . . 19 GLU HB2 . 17371 1 237 . 1 1 38 38 GLU HB3 H 1 1.667 0.04 . 2 . . . . 19 GLU HB3 . 17371 1 238 . 1 1 38 38 GLU HG2 H 1 2.191 0.04 . 2 . . . . 19 GLU HG2 . 17371 1 239 . 1 1 38 38 GLU HG3 H 1 2.191 0.04 . 2 . . . . 19 GLU HG3 . 17371 1 240 . 1 1 38 38 GLU C C 13 176.353 0.4 . 1 . . . . 19 GLU C . 17371 1 241 . 1 1 38 38 GLU CA C 13 57.712 0.40 . 1 . . . . 19 GLU CA . 17371 1 242 . 1 1 38 38 GLU CB C 13 28.655 0.40 . 1 . . . . 19 GLU CB . 17371 1 243 . 1 1 38 38 GLU CG C 13 36.123 0.40 . 1 . . . . 19 GLU CG . 17371 1 244 . 1 1 38 38 GLU N N 15 120.748 0.40 . 1 . . . . 19 GLU N . 17371 1 245 . 1 1 39 39 THR H H 1 8.105 0.04 . 1 . . . . 20 THR H . 17371 1 246 . 1 1 39 39 THR HA H 1 4.868 0.04 . 1 . . . . 20 THR HA . 17371 1 247 . 1 1 39 39 THR HB H 1 4.432 0.04 . 1 . . . . 20 THR HB . 17371 1 248 . 1 1 39 39 THR HG21 H 1 1.063 0.04 . . . . . . 20 THR HG2 . 17371 1 249 . 1 1 39 39 THR HG22 H 1 1.063 0.04 . . . . . . 20 THR HG2 . 17371 1 250 . 1 1 39 39 THR HG23 H 1 1.063 0.04 . . . . . . 20 THR HG2 . 17371 1 251 . 1 1 39 39 THR C C 13 176.258 0.4 . 1 . . . . 20 THR C . 17371 1 252 . 1 1 39 39 THR CA C 13 59.759 0.40 . 1 . . . . 20 THR CA . 17371 1 253 . 1 1 39 39 THR CB C 13 70.923 0.40 . 1 . . . . 20 THR CB . 17371 1 254 . 1 1 39 39 THR CG2 C 13 22.149 0.40 . 1 . . . . 20 THR CG2 . 17371 1 255 . 1 1 39 39 THR N N 15 109.971 0.40 . 1 . . . . 20 THR N . 17371 1 256 . 1 1 40 40 VAL H H 1 8.471 0.04 . 1 . . . . 21 VAL H . 17371 1 257 . 1 1 40 40 VAL HA H 1 3.148 0.04 . 1 . . . . 21 VAL HA . 17371 1 258 . 1 1 40 40 VAL HB H 1 2.470 0.04 . 1 . . . . 21 VAL HB . 17371 1 259 . 1 1 40 40 VAL HG11 H 1 0.700 0.04 . 2 . . . . 21 VAL HG1 . 17371 1 260 . 1 1 40 40 VAL HG12 H 1 0.700 0.04 . 2 . . . . 21 VAL HG1 . 17371 1 261 . 1 1 40 40 VAL HG13 H 1 0.700 0.04 . 2 . . . . 21 VAL HG1 . 17371 1 262 . 1 1 40 40 VAL HG21 H 1 0.766 0.04 . 2 . . . . 21 VAL HG2 . 17371 1 263 . 1 1 40 40 VAL HG22 H 1 0.766 0.04 . 2 . . . . 21 VAL HG2 . 17371 1 264 . 1 1 40 40 VAL HG23 H 1 0.766 0.04 . 2 . . . . 21 VAL HG2 . 17371 1 265 . 1 1 40 40 VAL C C 13 178.851 0.4 . 1 . . . . 21 VAL C . 17371 1 266 . 1 1 40 40 VAL CA C 13 67.265 0.40 . 1 . . . . 21 VAL CA . 17371 1 267 . 1 1 40 40 VAL CB C 13 31.288 0.40 . 1 . . . . 21 VAL CB . 17371 1 268 . 1 1 40 40 VAL CG1 C 13 22.012 0.40 . 2 . . . . 21 VAL CG1 . 17371 1 269 . 1 1 40 40 VAL CG2 C 13 24.791 0.40 . 2 . . . . 21 VAL CG2 . 17371 1 270 . 1 1 40 40 VAL N N 15 123.813 0.40 . 1 . . . . 21 VAL N . 17371 1 271 . 1 1 41 41 ALA H H 1 9.045 0.04 . 1 . . . . 22 ALA H . 17371 1 272 . 1 1 41 41 ALA HA H 1 3.701 0.04 . 1 . . . . 22 ALA HA . 17371 1 273 . 1 1 41 41 ALA HB1 H 1 1.269 0.04 . 1 . . . . 22 ALA HB . 17371 1 274 . 1 1 41 41 ALA HB2 H 1 1.269 0.04 . 1 . . . . 22 ALA HB . 17371 1 275 . 1 1 41 41 ALA HB3 H 1 1.269 0.04 . 1 . . . . 22 ALA HB . 17371 1 276 . 1 1 41 41 ALA C C 13 180.543 0.4 . 1 . . . . 22 ALA C . 17371 1 277 . 1 1 41 41 ALA CA C 13 55.391 0.40 . 1 . . . . 22 ALA CA . 17371 1 278 . 1 1 41 41 ALA CB C 13 18.678 0.40 . 1 . . . . 22 ALA CB . 17371 1 279 . 1 1 41 41 ALA N N 15 120.816 0.40 . 1 . . . . 22 ALA N . 17371 1 280 . 1 1 42 42 GLN H H 1 7.891 0.04 . 1 . . . . 23 GLN H . 17371 1 281 . 1 1 42 42 GLN HA H 1 3.885 0.04 . 1 . . . . 23 GLN HA . 17371 1 282 . 1 1 42 42 GLN HB2 H 1 1.891 0.04 . 2 . . . . 23 GLN HB2 . 17371 1 283 . 1 1 42 42 GLN HB3 H 1 2.330 0.04 . 2 . . . . 23 GLN HB3 . 17371 1 284 . 1 1 42 42 GLN HG2 H 1 2.331 0.04 . 2 . . . . 23 GLN HG2 . 17371 1 285 . 1 1 42 42 GLN HG3 H 1 2.248 0.04 . 2 . . . . 23 GLN HG3 . 17371 1 286 . 1 1 42 42 GLN HE21 H 1 6.818 0.04 . 2 . . . . 23 GLN HE21 . 17371 1 287 . 1 1 42 42 GLN HE22 H 1 7.436 0.04 . 2 . . . . 23 GLN HE22 . 17371 1 288 . 1 1 42 42 GLN C C 13 179.328 0.4 . 1 . . . . 23 GLN C . 17371 1 289 . 1 1 42 42 GLN CA C 13 58.940 0.40 . 1 . . . . 23 GLN CA . 17371 1 290 . 1 1 42 42 GLN CB C 13 28.200 0.40 . 1 . . . . 23 GLN CB . 17371 1 291 . 1 1 42 42 GLN CG C 13 34.570 0.40 . 1 . . . . 23 GLN CG . 17371 1 292 . 1 1 42 42 GLN N N 15 119.301 0.40 . 1 . . . . 23 GLN N . 17371 1 293 . 1 1 42 42 GLN NE2 N 15 111.280 0.04 . 1 . . . . 23 GLN NE2 . 17371 1 294 . 1 1 43 43 ILE H H 1 7.653 0.04 . 1 . . . . 24 ILE H . 17371 1 295 . 1 1 43 43 ILE HA H 1 3.610 0.04 . 1 . . . . 24 ILE HA . 17371 1 296 . 1 1 43 43 ILE HB H 1 2.114 0.04 . 1 . . . . 24 ILE HB . 17371 1 297 . 1 1 43 43 ILE HG12 H 1 1.580 0.04 . 2 . . . . 24 ILE HG12 . 17371 1 298 . 1 1 43 43 ILE HG13 H 1 1.058 0.04 . 2 . . . . 24 ILE HG13 . 17371 1 299 . 1 1 43 43 ILE HG21 H 1 0.614 0.04 . 1 . . . . 24 ILE HG2 . 17371 1 300 . 1 1 43 43 ILE HG22 H 1 0.614 0.04 . 1 . . . . 24 ILE HG2 . 17371 1 301 . 1 1 43 43 ILE HG23 H 1 0.614 0.04 . 1 . . . . 24 ILE HG2 . 17371 1 302 . 1 1 43 43 ILE HD11 H 1 0.423 0.04 . 1 . . . . 24 ILE HD1 . 17371 1 303 . 1 1 43 43 ILE HD12 H 1 0.423 0.04 . 1 . . . . 24 ILE HD1 . 17371 1 304 . 1 1 43 43 ILE HD13 H 1 0.423 0.04 . 1 . . . . 24 ILE HD1 . 17371 1 305 . 1 1 43 43 ILE C C 13 177.677 0.4 . 1 . . . . 24 ILE C . 17371 1 306 . 1 1 43 43 ILE CA C 13 62.405 0.40 . 1 . . . . 24 ILE CA . 17371 1 307 . 1 1 43 43 ILE CB C 13 35.742 0.40 . 1 . . . . 24 ILE CB . 17371 1 308 . 1 1 43 43 ILE CG1 C 13 27.801 0.40 . 1 . . . . 24 ILE CG1 . 17371 1 309 . 1 1 43 43 ILE CG2 C 13 17.436 0.40 . 1 . . . . 24 ILE CG2 . 17371 1 310 . 1 1 43 43 ILE CD1 C 13 9.591 0.40 . 1 . . . . 24 ILE CD1 . 17371 1 311 . 1 1 43 43 ILE N N 15 121.191 0.40 . 1 . . . . 24 ILE N . 17371 1 312 . 1 1 44 44 LYS H H 1 8.556 0.04 . 1 . . . . 25 LYS H . 17371 1 313 . 1 1 44 44 LYS HA H 1 3.589 0.04 . 1 . . . . 25 LYS HA . 17371 1 314 . 1 1 44 44 LYS HB2 H 1 1.644 0.04 . 2 . . . . 25 LYS HB2 . 17371 1 315 . 1 1 44 44 LYS HB3 H 1 1.644 0.04 . 2 . . . . 25 LYS HB3 . 17371 1 316 . 1 1 44 44 LYS HG2 H 1 1.171 0.04 . 2 . . . . 25 LYS HG2 . 17371 1 317 . 1 1 44 44 LYS HG3 H 1 1.119 0.04 . 2 . . . . 25 LYS HG3 . 17371 1 318 . 1 1 44 44 LYS HD2 H 1 1.537 0.04 . 2 . . . . 25 LYS HD2 . 17371 1 319 . 1 1 44 44 LYS HD3 H 1 1.537 0.04 . 2 . . . . 25 LYS HD3 . 17371 1 320 . 1 1 44 44 LYS HE2 H 1 2.694 0.04 . 2 . . . . 25 LYS HE2 . 17371 1 321 . 1 1 44 44 LYS HE3 H 1 2.694 0.04 . 2 . . . . 25 LYS HE3 . 17371 1 322 . 1 1 44 44 LYS C C 13 177.568 0.4 . 1 . . . . 25 LYS C . 17371 1 323 . 1 1 44 44 LYS CA C 13 60.059 0.40 . 1 . . . . 25 LYS CA . 17371 1 324 . 1 1 44 44 LYS CB C 13 32.627 0.40 . 1 . . . . 25 LYS CB . 17371 1 325 . 1 1 44 44 LYS CG C 13 25.063 0.40 . 1 . . . . 25 LYS CG . 17371 1 326 . 1 1 44 44 LYS CD C 13 29.830 0.40 . 1 . . . . 25 LYS CD . 17371 1 327 . 1 1 44 44 LYS CE C 13 41.816 0.40 . 1 . . . . 25 LYS CE . 17371 1 328 . 1 1 44 44 LYS N N 15 120.135 0.40 . 1 . . . . 25 LYS N . 17371 1 329 . 1 1 45 45 ALA H H 1 8.118 0.04 . 1 . . . . 26 ALA H . 17371 1 330 . 1 1 45 45 ALA HA H 1 3.844 0.04 . 1 . . . . 26 ALA HA . 17371 1 331 . 1 1 45 45 ALA HB1 H 1 1.378 0.04 . 1 . . . . 26 ALA HB . 17371 1 332 . 1 1 45 45 ALA HB2 H 1 1.378 0.04 . 1 . . . . 26 ALA HB . 17371 1 333 . 1 1 45 45 ALA HB3 H 1 1.378 0.04 . 1 . . . . 26 ALA HB . 17371 1 334 . 1 1 45 45 ALA C C 13 180.175 0.4 . 1 . . . . 26 ALA C . 17371 1 335 . 1 1 45 45 ALA CA C 13 55.064 0.40 . 1 . . . . 26 ALA CA . 17371 1 336 . 1 1 45 45 ALA CB C 13 17.696 0.40 . 1 . . . . 26 ALA CB . 17371 1 337 . 1 1 45 45 ALA N N 15 119.795 0.40 . 1 . . . . 26 ALA N . 17371 1 338 . 1 1 46 46 HIS H H 1 7.817 0.04 . 1 . . . . 27 HIS H . 17371 1 339 . 1 1 46 46 HIS HA H 1 4.301 0.04 . 1 . . . . 27 HIS HA . 17371 1 340 . 1 1 46 46 HIS HB2 H 1 2.973 0.04 . 2 . . . . 27 HIS HB2 . 17371 1 341 . 1 1 46 46 HIS HB3 H 1 2.973 0.04 . 2 . . . . 27 HIS HB3 . 17371 1 342 . 1 1 46 46 HIS HD2 H 1 6.734 0.04 . 1 . . . . 27 HIS HD2 . 17371 1 343 . 1 1 46 46 HIS C C 13 178.387 0.4 . 1 . . . . 27 HIS C . 17371 1 344 . 1 1 46 46 HIS CA C 13 59.158 0.40 . 1 . . . . 27 HIS CA . 17371 1 345 . 1 1 46 46 HIS CB C 13 31.016 0.40 . 1 . . . . 27 HIS CB . 17371 1 346 . 1 1 46 46 HIS CD2 C 13 119.509 0.40 . 1 . . . . 27 HIS CD2 . 17371 1 347 . 1 1 46 46 HIS N N 15 119.795 0.40 . 1 . . . . 27 HIS N . 17371 1 348 . 1 1 47 47 VAL H H 1 8.128 0.04 . 1 . . . . 28 VAL H . 17371 1 349 . 1 1 47 47 VAL HA H 1 3.096 0.04 . 1 . . . . 28 VAL HA . 17371 1 350 . 1 1 47 47 VAL HB H 1 1.945 0.04 . 1 . . . . 28 VAL HB . 17371 1 351 . 1 1 47 47 VAL HG11 H 1 0.850 0.04 . 2 . . . . 28 VAL HG1 . 17371 1 352 . 1 1 47 47 VAL HG12 H 1 0.850 0.04 . 2 . . . . 28 VAL HG1 . 17371 1 353 . 1 1 47 47 VAL HG13 H 1 0.850 0.04 . 2 . . . . 28 VAL HG1 . 17371 1 354 . 1 1 47 47 VAL HG21 H 1 0.621 0.04 . 2 . . . . 28 VAL HG2 . 17371 1 355 . 1 1 47 47 VAL HG22 H 1 0.621 0.04 . 2 . . . . 28 VAL HG2 . 17371 1 356 . 1 1 47 47 VAL HG23 H 1 0.621 0.04 . 2 . . . . 28 VAL HG2 . 17371 1 357 . 1 1 47 47 VAL C C 13 176.285 0.4 . 1 . . . . 28 VAL C . 17371 1 358 . 1 1 47 47 VAL CA C 13 66.719 0.40 . 1 . . . . 28 VAL CA . 17371 1 359 . 1 1 47 47 VAL CB C 13 31.288 0.40 . 1 . . . . 28 VAL CB . 17371 1 360 . 1 1 47 47 VAL CG1 C 13 23.674 0.40 . 2 . . . . 28 VAL CG1 . 17371 1 361 . 1 1 47 47 VAL CG2 C 13 21.114 0.40 . 2 . . . . 28 VAL CG2 . 17371 1 362 . 1 1 47 47 VAL N N 15 118.722 0.40 . 1 . . . . 28 VAL N . 17371 1 363 . 1 1 48 48 ALA H H 1 8.456 0.04 . 1 . . . . 29 ALA H . 17371 1 364 . 1 1 48 48 ALA HA H 1 3.844 0.04 . 1 . . . . 29 ALA HA . 17371 1 365 . 1 1 48 48 ALA HB1 H 1 1.288 0.04 . 1 . . . . 29 ALA HB . 17371 1 366 . 1 1 48 48 ALA HB2 H 1 1.288 0.04 . 1 . . . . 29 ALA HB . 17371 1 367 . 1 1 48 48 ALA HB3 H 1 1.288 0.04 . 1 . . . . 29 ALA HB . 17371 1 368 . 1 1 48 48 ALA C C 13 179.915 0.4 . 1 . . . . 29 ALA C . 17371 1 369 . 1 1 48 48 ALA CA C 13 55.091 0.40 . 1 . . . . 29 ALA CA . 17371 1 370 . 1 1 48 48 ALA CB C 13 17.887 0.40 . 1 . . . . 29 ALA CB . 17371 1 371 . 1 1 48 48 ALA N N 15 121.685 0.40 . 1 . . . . 29 ALA N . 17371 1 372 . 1 1 49 49 SER H H 1 7.706 0.04 . 1 . . . . 30 SER H . 17371 1 373 . 1 1 49 49 SER HA H 1 4.175 0.04 . 1 . . . . 30 SER HA . 17371 1 374 . 1 1 49 49 SER HB2 H 1 3.912 0.04 . 2 . . . . 30 SER HB2 . 17371 1 375 . 1 1 49 49 SER HB3 H 1 3.912 0.04 . 2 . . . . 30 SER HB3 . 17371 1 376 . 1 1 49 49 SER C C 13 176.913 0.4 . 1 . . . . 30 SER C . 17371 1 377 . 1 1 49 49 SER CA C 13 61.014 0.40 . 1 . . . . 30 SER CA . 17371 1 378 . 1 1 49 49 SER CB C 13 62.707 0.40 . 1 . . . . 30 SER CB . 17371 1 379 . 1 1 49 49 SER N N 15 112.968 0.40 . 1 . . . . 30 SER N . 17371 1 380 . 1 1 50 50 LEU H H 1 7.510 0.04 . 1 . . . . 31 LEU H . 17371 1 381 . 1 1 50 50 LEU HA H 1 4.044 0.04 . 1 . . . . 31 LEU HA . 17371 1 382 . 1 1 50 50 LEU HB2 H 1 1.623 0.04 . 2 . . . . 31 LEU HB2 . 17371 1 383 . 1 1 50 50 LEU HB3 H 1 1.287 0.04 . 2 . . . . 31 LEU HB3 . 17371 1 384 . 1 1 50 50 LEU HG H 1 1.443 0.04 . 1 . . . . 31 LEU HG . 17371 1 385 . 1 1 50 50 LEU HD11 H 1 0.509 0.04 . 2 . . . . 31 LEU HD1 . 17371 1 386 . 1 1 50 50 LEU HD12 H 1 0.509 0.04 . 2 . . . . 31 LEU HD1 . 17371 1 387 . 1 1 50 50 LEU HD13 H 1 0.509 0.04 . 2 . . . . 31 LEU HD1 . 17371 1 388 . 1 1 50 50 LEU HD21 H 1 0.717 0.04 . 2 . . . . 31 LEU HD2 . 17371 1 389 . 1 1 50 50 LEU HD22 H 1 0.717 0.04 . 2 . . . . 31 LEU HD2 . 17371 1 390 . 1 1 50 50 LEU HD23 H 1 0.717 0.04 . 2 . . . . 31 LEU HD2 . 17371 1 391 . 1 1 50 50 LEU C C 13 179.287 0.4 . 1 . . . . 31 LEU C . 17371 1 392 . 1 1 50 50 LEU CA C 13 57.302 0.40 . 1 . . . . 31 LEU CA . 17371 1 393 . 1 1 50 50 LEU CB C 13 42.312 0.40 . 1 . . . . 31 LEU CB . 17371 1 394 . 1 1 50 50 LEU CG C 13 26.207 0.40 . 1 . . . . 31 LEU CG . 17371 1 395 . 1 1 50 50 LEU CD1 C 13 25.309 0.40 . 2 . . . . 31 LEU CD1 . 17371 1 396 . 1 1 50 50 LEU CD2 C 13 22.176 0.40 . 2 . . . . 31 LEU CD2 . 17371 1 397 . 1 1 50 50 LEU N N 15 121.685 0.40 . 1 . . . . 31 LEU N . 17371 1 398 . 1 1 51 51 GLU H H 1 7.906 0.04 . 1 . . . . 32 GLU H . 17371 1 399 . 1 1 51 51 GLU HA H 1 4.340 0.04 . 1 . . . . 32 GLU HA . 17371 1 400 . 1 1 51 51 GLU HB2 H 1 2.246 0.04 . 2 . . . . 32 GLU HB2 . 17371 1 401 . 1 1 51 51 GLU HB3 H 1 1.645 0.04 . 2 . . . . 32 GLU HB3 . 17371 1 402 . 1 1 51 51 GLU HG2 H 1 2.356 0.04 . 2 . . . . 32 GLU HG2 . 17371 1 403 . 1 1 51 51 GLU HG3 H 1 2.197 0.04 . 2 . . . . 32 GLU HG3 . 17371 1 404 . 1 1 51 51 GLU C C 13 176.845 0.4 . 1 . . . . 32 GLU C . 17371 1 405 . 1 1 51 51 GLU CA C 13 56.947 0.40 . 1 . . . . 32 GLU CA . 17371 1 406 . 1 1 51 51 GLU CB C 13 30.614 0.40 . 1 . . . . 32 GLU CB . 17371 1 407 . 1 1 51 51 GLU CG C 13 37.049 0.40 . 1 . . . . 32 GLU CG . 17371 1 408 . 1 1 51 51 GLU N N 15 115.351 0.40 . 1 . . . . 32 GLU N . 17371 1 409 . 1 1 52 52 GLY H H 1 7.887 0.04 . 1 . . . . 33 GLY H . 17371 1 410 . 1 1 52 52 GLY HA2 H 1 3.916 0.04 . 2 . . . . 33 GLY HA2 . 17371 1 411 . 1 1 52 52 GLY HA3 H 1 3.820 0.04 . 2 . . . . 33 GLY HA3 . 17371 1 412 . 1 1 52 52 GLY C C 13 174.429 0.4 . 1 . . . . 33 GLY C . 17371 1 413 . 1 1 52 52 GLY CA C 13 46.670 0.40 . 1 . . . . 33 GLY CA . 17371 1 414 . 1 1 52 52 GLY N N 15 109.426 0.40 . 1 . . . . 33 GLY N . 17371 1 415 . 1 1 53 53 ILE H H 1 7.458 0.04 . 1 . . . . 34 ILE H . 17371 1 416 . 1 1 53 53 ILE HA H 1 4.432 0.04 . 1 . . . . 34 ILE HA . 17371 1 417 . 1 1 53 53 ILE HB H 1 1.720 0.04 . 1 . . . . 34 ILE HB . 17371 1 418 . 1 1 53 53 ILE HG12 H 1 1.074 0.04 . 2 . . . . 34 ILE HG12 . 17371 1 419 . 1 1 53 53 ILE HG13 H 1 0.958 0.04 . 2 . . . . 34 ILE HG13 . 17371 1 420 . 1 1 53 53 ILE HG21 H 1 0.747 0.04 . 1 . . . . 34 ILE HG2 . 17371 1 421 . 1 1 53 53 ILE HG22 H 1 0.747 0.04 . 1 . . . . 34 ILE HG2 . 17371 1 422 . 1 1 53 53 ILE HG23 H 1 0.747 0.04 . 1 . . . . 34 ILE HG2 . 17371 1 423 . 1 1 53 53 ILE HD11 H 1 0.615 0.04 . 1 . . . . 34 ILE HD1 . 17371 1 424 . 1 1 53 53 ILE HD12 H 1 0.615 0.04 . 1 . . . . 34 ILE HD1 . 17371 1 425 . 1 1 53 53 ILE HD13 H 1 0.615 0.04 . 1 . . . . 34 ILE HD1 . 17371 1 426 . 1 1 53 53 ILE C C 13 174.361 0.4 . 1 . . . . 34 ILE C . 17371 1 427 . 1 1 53 53 ILE CA C 13 59.213 0.40 . 1 . . . . 34 ILE CA . 17371 1 428 . 1 1 53 53 ILE CB C 13 40.187 0.40 . 1 . . . . 34 ILE CB . 17371 1 429 . 1 1 53 53 ILE CG1 C 13 25.976 0.40 . 1 . . . . 34 ILE CG1 . 17371 1 430 . 1 1 53 53 ILE CG2 C 13 17.300 0.40 . 1 . . . . 34 ILE CG2 . 17371 1 431 . 1 1 53 53 ILE CD1 C 13 12.587 0.40 . 1 . . . . 34 ILE CD1 . 17371 1 432 . 1 1 53 53 ILE N N 15 115.045 0.40 . 1 . . . . 34 ILE N . 17371 1 433 . 1 1 54 54 ALA H H 1 8.545 0.04 . 1 . . . . 35 ALA H . 17371 1 434 . 1 1 54 54 ALA HA H 1 4.517 0.04 . 1 . . . . 35 ALA HA . 17371 1 435 . 1 1 54 54 ALA HB1 H 1 1.313 0.04 . 1 . . . . 35 ALA HB . 17371 1 436 . 1 1 54 54 ALA HB2 H 1 1.313 0.04 . 1 . . . . 35 ALA HB . 17371 1 437 . 1 1 54 54 ALA HB3 H 1 1.313 0.04 . 1 . . . . 35 ALA HB . 17371 1 438 . 1 1 54 54 ALA CA C 13 50.070 0.40 . 1 . . . . 35 ALA CA . 17371 1 439 . 1 1 54 54 ALA CB C 13 17.899 0.40 . 1 . . . . 35 ALA CB . 17371 1 440 . 1 1 54 54 ALA N N 15 127.047 0.40 . 1 . . . . 35 ALA N . 17371 1 441 . 1 1 55 55 PRO HA H 1 3.875 0.04 . 1 . . . . 36 PRO HA . 17371 1 442 . 1 1 55 55 PRO HB2 H 1 1.926 0.04 . 2 . . . . 36 PRO HB2 . 17371 1 443 . 1 1 55 55 PRO HB3 H 1 1.876 0.04 . 2 . . . . 36 PRO HB3 . 17371 1 444 . 1 1 55 55 PRO HG2 H 1 2.026 0.04 . 2 . . . . 36 PRO HG2 . 17371 1 445 . 1 1 55 55 PRO HG3 H 1 1.887 0.04 . 2 . . . . 36 PRO HG3 . 17371 1 446 . 1 1 55 55 PRO HD2 H 1 3.740 0.04 . 2 . . . . 36 PRO HD2 . 17371 1 447 . 1 1 55 55 PRO HD3 H 1 3.872 0.04 . 2 . . . . 36 PRO HD3 . 17371 1 448 . 1 1 55 55 PRO C C 13 178.168 0.4 . 1 . . . . 36 PRO C . 17371 1 449 . 1 1 55 55 PRO CA C 13 65.300 0.40 . 1 . . . . 36 PRO CA . 17371 1 450 . 1 1 55 55 PRO CB C 13 31.465 0.40 . 1 . . . . 36 PRO CB . 17371 1 451 . 1 1 55 55 PRO CG C 13 27.161 0.40 . 1 . . . . 36 PRO CG . 17371 1 452 . 1 1 55 55 PRO CD C 13 50.465 0.40 . 1 . . . . 36 PRO CD . 17371 1 453 . 1 1 56 56 GLU H H 1 9.153 0.04 . 1 . . . . 37 GLU H . 17371 1 454 . 1 1 56 56 GLU HA H 1 4.065 0.04 . 1 . . . . 37 GLU HA . 17371 1 455 . 1 1 56 56 GLU HB2 H 1 1.891 0.04 . 2 . . . . 37 GLU HB2 . 17371 1 456 . 1 1 56 56 GLU HB3 H 1 1.891 0.04 . 2 . . . . 37 GLU HB3 . 17371 1 457 . 1 1 56 56 GLU HG2 H 1 2.186 0.04 . 2 . . . . 37 GLU HG2 . 17371 1 458 . 1 1 56 56 GLU HG3 H 1 2.186 0.04 . 2 . . . . 37 GLU HG3 . 17371 1 459 . 1 1 56 56 GLU C C 13 176.926 0.4 . 1 . . . . 37 GLU C . 17371 1 460 . 1 1 56 56 GLU CA C 13 58.830 0.40 . 1 . . . . 37 GLU CA . 17371 1 461 . 1 1 56 56 GLU CB C 13 28.614 0.40 . 1 . . . . 37 GLU CB . 17371 1 462 . 1 1 56 56 GLU CG C 13 36.150 0.40 . 1 . . . . 37 GLU CG . 17371 1 463 . 1 1 56 56 GLU N N 15 116.577 0.40 . 1 . . . . 37 GLU N . 17371 1 464 . 1 1 57 57 ASP H H 1 7.496 0.04 . 1 . . . . 38 ASP H . 17371 1 465 . 1 1 57 57 ASP HA H 1 4.725 0.04 . 1 . . . . 38 ASP HA . 17371 1 466 . 1 1 57 57 ASP HB2 H 1 2.876 0.04 . 2 . . . . 38 ASP HB2 . 17371 1 467 . 1 1 57 57 ASP HB3 H 1 2.531 0.04 . 2 . . . . 38 ASP HB3 . 17371 1 468 . 1 1 57 57 ASP C C 13 175.002 0.4 . 1 . . . . 38 ASP C . 17371 1 469 . 1 1 57 57 ASP CA C 13 54.245 0.40 . 1 . . . . 38 ASP CA . 17371 1 470 . 1 1 57 57 ASP CB C 13 41.443 0.40 . 1 . . . . 38 ASP CB . 17371 1 471 . 1 1 57 57 ASP N N 15 118.211 0.40 . 1 . . . . 38 ASP N . 17371 1 472 . 1 1 58 58 GLN H H 1 7.512 0.04 . 1 . . . . 39 GLN H . 17371 1 473 . 1 1 58 58 GLN HA H 1 4.971 0.04 . 1 . . . . 39 GLN HA . 17371 1 474 . 1 1 58 58 GLN HB2 H 1 2.001 0.04 . 2 . . . . 39 GLN HB2 . 17371 1 475 . 1 1 58 58 GLN HB3 H 1 1.529 0.04 . 2 . . . . 39 GLN HB3 . 17371 1 476 . 1 1 58 58 GLN HG2 H 1 2.243 0.04 . 2 . . . . 39 GLN HG2 . 17371 1 477 . 1 1 58 58 GLN HG3 H 1 1.762 0.04 . 2 . . . . 39 GLN HG3 . 17371 1 478 . 1 1 58 58 GLN HE21 H 1 6.431 0.04 . 2 . . . . 39 GLN HE21 . 17371 1 479 . 1 1 58 58 GLN HE22 H 1 6.875 0.04 . 2 . . . . 39 GLN HE22 . 17371 1 480 . 1 1 58 58 GLN C C 13 175.234 0.4 . 1 . . . . 39 GLN C . 17371 1 481 . 1 1 58 58 GLN CA C 13 53.371 0.40 . 1 . . . . 39 GLN CA . 17371 1 482 . 1 1 58 58 GLN CB C 13 31.358 0.40 . 1 . . . . 39 GLN CB . 17371 1 483 . 1 1 58 58 GLN CG C 13 33.045 0.40 . 1 . . . . 39 GLN CG . 17371 1 484 . 1 1 58 58 GLN N N 15 117.377 0.40 . 1 . . . . 39 GLN N . 17371 1 485 . 1 1 58 58 GLN NE2 N 15 109.801 0.04 . 1 . . . . 39 GLN NE2 . 17371 1 486 . 1 1 59 59 VAL H H 1 9.187 0.04 . 1 . . . . 40 VAL H . 17371 1 487 . 1 1 59 59 VAL HA H 1 4.285 0.04 . 1 . . . . 40 VAL HA . 17371 1 488 . 1 1 59 59 VAL HB H 1 1.793 0.04 . 1 . . . . 40 VAL HB . 17371 1 489 . 1 1 59 59 VAL HG11 H 1 0.790 0.04 . 2 . . . . 40 VAL HG1 . 17371 1 490 . 1 1 59 59 VAL HG12 H 1 0.790 0.04 . 2 . . . . 40 VAL HG1 . 17371 1 491 . 1 1 59 59 VAL HG13 H 1 0.790 0.04 . 2 . . . . 40 VAL HG1 . 17371 1 492 . 1 1 59 59 VAL HG21 H 1 0.754 0.04 . 2 . . . . 40 VAL HG2 . 17371 1 493 . 1 1 59 59 VAL HG22 H 1 0.754 0.04 . 2 . . . . 40 VAL HG2 . 17371 1 494 . 1 1 59 59 VAL HG23 H 1 0.754 0.04 . 2 . . . . 40 VAL HG2 . 17371 1 495 . 1 1 59 59 VAL C C 13 173.091 0.4 . 1 . . . . 40 VAL C . 17371 1 496 . 1 1 59 59 VAL CA C 13 60.223 0.40 . 1 . . . . 40 VAL CA . 17371 1 497 . 1 1 59 59 VAL CB C 13 35.847 0.40 . 1 . . . . 40 VAL CB . 17371 1 498 . 1 1 59 59 VAL CG1 C 13 20.705 0.40 . 2 . . . . 40 VAL CG1 . 17371 1 499 . 1 1 59 59 VAL CG2 C 13 20.487 0.40 . 2 . . . . 40 VAL CG2 . 17371 1 500 . 1 1 59 59 VAL N N 15 121.004 0.40 . 1 . . . . 40 VAL N . 17371 1 501 . 1 1 60 60 VAL H H 1 8.674 0.04 . 1 . . . . 41 VAL H . 17371 1 502 . 1 1 60 60 VAL HA H 1 4.687 0.04 . 1 . . . . 41 VAL HA . 17371 1 503 . 1 1 60 60 VAL HB H 1 1.781 0.04 . 1 . . . . 41 VAL HB . 17371 1 504 . 1 1 60 60 VAL HG11 H 1 0.712 0.04 . 2 . . . . 41 VAL HG1 . 17371 1 505 . 1 1 60 60 VAL HG12 H 1 0.712 0.04 . 2 . . . . 41 VAL HG1 . 17371 1 506 . 1 1 60 60 VAL HG13 H 1 0.712 0.04 . 2 . . . . 41 VAL HG1 . 17371 1 507 . 1 1 60 60 VAL HG21 H 1 0.758 0.04 . 2 . . . . 41 VAL HG2 . 17371 1 508 . 1 1 60 60 VAL HG22 H 1 0.758 0.04 . 2 . . . . 41 VAL HG2 . 17371 1 509 . 1 1 60 60 VAL HG23 H 1 0.758 0.04 . 2 . . . . 41 VAL HG2 . 17371 1 510 . 1 1 60 60 VAL C C 13 173.992 0.4 . 1 . . . . 41 VAL C . 17371 1 511 . 1 1 60 60 VAL CA C 13 61.042 0.40 . 1 . . . . 41 VAL CA . 17371 1 512 . 1 1 60 60 VAL CB C 13 32.080 0.40 . 1 . . . . 41 VAL CB . 17371 1 513 . 1 1 60 60 VAL CG1 C 13 22.557 0.40 . 2 . . . . 41 VAL CG1 . 17371 1 514 . 1 1 60 60 VAL CG2 C 13 23.402 0.40 . 2 . . . . 41 VAL CG2 . 17371 1 515 . 1 1 60 60 VAL N N 15 124.902 0.40 . 1 . . . . 41 VAL N . 17371 1 516 . 1 1 61 61 LEU H H 1 9.458 0.04 . 1 . . . . 42 LEU H . 17371 1 517 . 1 1 61 61 LEU HA H 1 4.974 0.04 . 1 . . . . 42 LEU HA . 17371 1 518 . 1 1 61 61 LEU HB2 H 1 1.705 0.04 . 2 . . . . 42 LEU HB2 . 17371 1 519 . 1 1 61 61 LEU HB3 H 1 0.822 0.04 . 2 . . . . 42 LEU HB3 . 17371 1 520 . 1 1 61 61 LEU HG H 1 1.295 0.04 . 1 . . . . 42 LEU HG . 17371 1 521 . 1 1 61 61 LEU HD11 H 1 0.603 0.04 . 2 . . . . 42 LEU HD1 . 17371 1 522 . 1 1 61 61 LEU HD12 H 1 0.603 0.04 . 2 . . . . 42 LEU HD1 . 17371 1 523 . 1 1 61 61 LEU HD13 H 1 0.603 0.04 . 2 . . . . 42 LEU HD1 . 17371 1 524 . 1 1 61 61 LEU HD21 H 1 0.397 0.04 . 2 . . . . 42 LEU HD2 . 17371 1 525 . 1 1 61 61 LEU HD22 H 1 0.397 0.04 . 2 . . . . 42 LEU HD2 . 17371 1 526 . 1 1 61 61 LEU HD23 H 1 0.397 0.04 . 2 . . . . 42 LEU HD2 . 17371 1 527 . 1 1 61 61 LEU C C 13 176.121 0.4 . 1 . . . . 42 LEU C . 17371 1 528 . 1 1 61 61 LEU CA C 13 53.317 0.40 . 1 . . . . 42 LEU CA . 17371 1 529 . 1 1 61 61 LEU CB C 13 45.865 0.40 . 1 . . . . 42 LEU CB . 17371 1 530 . 1 1 61 61 LEU CG C 13 26.807 0.40 . 1 . . . . 42 LEU CG . 17371 1 531 . 1 1 61 61 LEU CD1 C 13 26.071 0.40 . 2 . . . . 42 LEU CD1 . 17371 1 532 . 1 1 61 61 LEU CD2 C 13 23.701 0.40 . 2 . . . . 42 LEU CD2 . 17371 1 533 . 1 1 61 61 LEU N N 15 125.430 0.40 . 1 . . . . 42 LEU N . 17371 1 534 . 1 1 62 62 LEU H H 1 8.704 0.04 . 1 . . . . 43 LEU H . 17371 1 535 . 1 1 62 62 LEU HA H 1 4.650 0.04 . 1 . . . . 43 LEU HA . 17371 1 536 . 1 1 62 62 LEU HB2 H 1 1.835 0.04 . 2 . . . . 43 LEU HB2 . 17371 1 537 . 1 1 62 62 LEU HB3 H 1 1.126 0.04 . 2 . . . . 43 LEU HB3 . 17371 1 538 . 1 1 62 62 LEU HG H 1 1.416 0.04 . 1 . . . . 43 LEU HG . 17371 1 539 . 1 1 62 62 LEU HD11 H 1 0.806 0.04 . 2 . . . . 43 LEU HD1 . 17371 1 540 . 1 1 62 62 LEU HD12 H 1 0.806 0.04 . 2 . . . . 43 LEU HD1 . 17371 1 541 . 1 1 62 62 LEU HD13 H 1 0.806 0.04 . 2 . . . . 43 LEU HD1 . 17371 1 542 . 1 1 62 62 LEU HD21 H 1 0.890 0.04 . 2 . . . . 43 LEU HD2 . 17371 1 543 . 1 1 62 62 LEU HD22 H 1 0.890 0.04 . 2 . . . . 43 LEU HD2 . 17371 1 544 . 1 1 62 62 LEU HD23 H 1 0.890 0.04 . 2 . . . . 43 LEU HD2 . 17371 1 545 . 1 1 62 62 LEU C C 13 176.026 0.4 . 1 . . . . 43 LEU C . 17371 1 546 . 1 1 62 62 LEU CA C 13 53.726 0.40 . 1 . . . . 43 LEU CA . 17371 1 547 . 1 1 62 62 LEU CB C 13 44.821 0.40 . 1 . . . . 43 LEU CB . 17371 1 548 . 1 1 62 62 LEU CG C 13 27.651 0.40 . 1 . . . . 43 LEU CG . 17371 1 549 . 1 1 62 62 LEU CD1 C 13 26.098 0.40 . 2 . . . . 43 LEU CD1 . 17371 1 550 . 1 1 62 62 LEU CD2 C 13 24.110 0.40 . 2 . . . . 43 LEU CD2 . 17371 1 551 . 1 1 62 62 LEU N N 15 122.349 0.40 . 1 . . . . 43 LEU N . 17371 1 552 . 1 1 63 63 ALA H H 1 9.581 0.04 . 1 . . . . 44 ALA H . 17371 1 553 . 1 1 63 63 ALA HA H 1 3.936 0.04 . 1 . . . . 44 ALA HA . 17371 1 554 . 1 1 63 63 ALA HB1 H 1 1.326 0.04 . 1 . . . . 44 ALA HB . 17371 1 555 . 1 1 63 63 ALA HB2 H 1 1.326 0.04 . 1 . . . . 44 ALA HB . 17371 1 556 . 1 1 63 63 ALA HB3 H 1 1.326 0.04 . 1 . . . . 44 ALA HB . 17371 1 557 . 1 1 63 63 ALA C C 13 177.718 0.4 . 1 . . . . 44 ALA C . 17371 1 558 . 1 1 63 63 ALA CA C 13 52.825 0.40 . 1 . . . . 44 ALA CA . 17371 1 559 . 1 1 63 63 ALA CB C 13 16.822 0.40 . 1 . . . . 44 ALA CB . 17371 1 560 . 1 1 63 63 ALA N N 15 133.500 0.40 . 1 . . . . 44 ALA N . 17371 1 561 . 1 1 64 64 GLY H H 1 8.655 0.04 . 1 . . . . 45 GLY H . 17371 1 562 . 1 1 64 64 GLY HA2 H 1 4.086 0.04 . 2 . . . . 45 GLY HA2 . 17371 1 563 . 1 1 64 64 GLY HA3 H 1 3.412 0.04 . 2 . . . . 45 GLY HA3 . 17371 1 564 . 1 1 64 64 GLY C C 13 172.750 0.4 . 1 . . . . 45 GLY C . 17371 1 565 . 1 1 64 64 GLY CA C 13 45.415 0.40 . 1 . . . . 45 GLY CA . 17371 1 566 . 1 1 64 64 GLY N N 15 103.110 0.40 . 1 . . . . 45 GLY N . 17371 1 567 . 1 1 65 65 ALA H H 1 7.894 0.04 . 1 . . . . 46 ALA H . 17371 1 568 . 1 1 65 65 ALA HA H 1 4.921 0.04 . 1 . . . . 46 ALA HA . 17371 1 569 . 1 1 65 65 ALA HB1 H 1 1.336 0.04 . 1 . . . . 46 ALA HB . 17371 1 570 . 1 1 65 65 ALA HB2 H 1 1.336 0.04 . 1 . . . . 46 ALA HB . 17371 1 571 . 1 1 65 65 ALA HB3 H 1 1.336 0.04 . 1 . . . . 46 ALA HB . 17371 1 572 . 1 1 65 65 ALA CA C 13 48.599 0.40 . 1 . . . . 46 ALA CA . 17371 1 573 . 1 1 65 65 ALA CB C 13 19.942 0.40 . 1 . . . . 46 ALA CB . 17371 1 574 . 1 1 65 65 ALA N N 15 125.873 0.40 . 1 . . . . 46 ALA N . 17371 1 575 . 1 1 66 66 PRO HA H 1 4.698 0.04 . 1 . . . . 47 PRO HA . 17371 1 576 . 1 1 66 66 PRO HB2 H 1 1.896 0.04 . 2 . . . . 47 PRO HB2 . 17371 1 577 . 1 1 66 66 PRO HB3 H 1 1.777 0.04 . 2 . . . . 47 PRO HB3 . 17371 1 578 . 1 1 66 66 PRO HG2 H 1 2.049 0.04 . 2 . . . . 47 PRO HG2 . 17371 1 579 . 1 1 66 66 PRO HG3 H 1 1.802 0.04 . 2 . . . . 47 PRO HG3 . 17371 1 580 . 1 1 66 66 PRO HD2 H 1 3.717 0.04 . 2 . . . . 47 PRO HD2 . 17371 1 581 . 1 1 66 66 PRO HD3 H 1 3.651 0.04 . 2 . . . . 47 PRO HD3 . 17371 1 582 . 1 1 66 66 PRO C C 13 177.281 0.4 . 1 . . . . 47 PRO C . 17371 1 583 . 1 1 66 66 PRO CA C 13 62.434 0.40 . 1 . . . . 47 PRO CA . 17371 1 584 . 1 1 66 66 PRO CB C 13 32.073 0.40 . 1 . . . . 47 PRO CB . 17371 1 585 . 1 1 66 66 PRO CG C 13 27.392 0.40 . 1 . . . . 47 PRO CG . 17371 1 586 . 1 1 66 66 PRO CD C 13 50.642 0.40 . 1 . . . . 47 PRO CD . 17371 1 587 . 1 1 67 67 LEU H H 1 8.745 0.04 . 1 . . . . 48 LEU H . 17371 1 588 . 1 1 67 67 LEU HA H 1 4.571 0.04 . 1 . . . . 48 LEU HA . 17371 1 589 . 1 1 67 67 LEU HB2 H 1 1.548 0.04 . 2 . . . . 48 LEU HB2 . 17371 1 590 . 1 1 67 67 LEU HB3 H 1 1.459 0.04 . 2 . . . . 48 LEU HB3 . 17371 1 591 . 1 1 67 67 LEU HG H 1 1.656 0.04 . 1 . . . . 48 LEU HG . 17371 1 592 . 1 1 67 67 LEU HD11 H 1 0.726 0.04 . 2 . . . . 48 LEU HD1 . 17371 1 593 . 1 1 67 67 LEU HD12 H 1 0.726 0.04 . 2 . . . . 48 LEU HD1 . 17371 1 594 . 1 1 67 67 LEU HD13 H 1 0.726 0.04 . 2 . . . . 48 LEU HD1 . 17371 1 595 . 1 1 67 67 LEU HD21 H 1 0.825 0.04 . 2 . . . . 48 LEU HD2 . 17371 1 596 . 1 1 67 67 LEU HD22 H 1 0.825 0.04 . 2 . . . . 48 LEU HD2 . 17371 1 597 . 1 1 67 67 LEU HD23 H 1 0.825 0.04 . 2 . . . . 48 LEU HD2 . 17371 1 598 . 1 1 67 67 LEU CA C 13 52.770 0.40 . 1 . . . . 48 LEU CA . 17371 1 599 . 1 1 67 67 LEU CB C 13 43.968 0.40 . 1 . . . . 48 LEU CB . 17371 1 600 . 1 1 67 67 LEU CG C 13 26.589 0.40 . 1 . . . . 48 LEU CG . 17371 1 601 . 1 1 67 67 LEU CD1 C 13 25.254 0.40 . 2 . . . . 48 LEU CD1 . 17371 1 602 . 1 1 67 67 LEU CD2 C 13 21.876 0.40 . 2 . . . . 48 LEU CD2 . 17371 1 603 . 1 1 67 67 LEU N N 15 123.370 0.40 . 1 . . . . 48 LEU N . 17371 1 604 . 1 1 68 68 GLU H H 1 8.480 0.04 . 1 . . . . 49 GLU H . 17371 1 605 . 1 1 68 68 GLU HA H 1 4.080 0.04 . 1 . . . . 49 GLU HA . 17371 1 606 . 1 1 68 68 GLU HB2 H 1 1.998 0.04 . 2 . . . . 49 GLU HB2 . 17371 1 607 . 1 1 68 68 GLU HB3 H 1 1.835 0.04 . 2 . . . . 49 GLU HB3 . 17371 1 608 . 1 1 68 68 GLU HG2 H 1 2.280 0.04 . 2 . . . . 49 GLU HG2 . 17371 1 609 . 1 1 68 68 GLU HG3 H 1 2.280 0.04 . 2 . . . . 49 GLU HG3 . 17371 1 610 . 1 1 68 68 GLU C C 13 176.763 0.4 . 1 . . . . 49 GLU C . 17371 1 611 . 1 1 68 68 GLU CA C 13 56.128 0.40 . 1 . . . . 49 GLU CA . 17371 1 612 . 1 1 68 68 GLU CB C 13 29.857 0.40 . 1 . . . . 49 GLU CB . 17371 1 613 . 1 1 68 68 GLU CG C 13 36.314 0.40 . 1 . . . . 49 GLU CG . 17371 1 614 . 1 1 68 68 GLU N N 15 123.404 0.40 . 1 . . . . 49 GLU N . 17371 1 615 . 1 1 69 69 ASP H H 1 8.217 0.04 . 1 . . . . 50 ASP H . 17371 1 616 . 1 1 69 69 ASP HA H 1 4.139 0.04 . 1 . . . . 50 ASP HA . 17371 1 617 . 1 1 69 69 ASP HB2 H 1 2.469 0.04 . 2 . . . . 50 ASP HB2 . 17371 1 618 . 1 1 69 69 ASP HB3 H 1 2.469 0.04 . 2 . . . . 50 ASP HB3 . 17371 1 619 . 1 1 69 69 ASP C C 13 177.240 0.4 . 1 . . . . 50 ASP C . 17371 1 620 . 1 1 69 69 ASP CA C 13 57.247 0.40 . 1 . . . . 50 ASP CA . 17371 1 621 . 1 1 69 69 ASP CB C 13 41.143 0.40 . 1 . . . . 50 ASP CB . 17371 1 622 . 1 1 69 69 ASP N N 15 123.115 0.40 . 1 . . . . 50 ASP N . 17371 1 623 . 1 1 70 70 GLU H H 1 8.287 0.04 . 1 . . . . 51 GLU H . 17371 1 624 . 1 1 70 70 GLU HA H 1 4.182 0.04 . 1 . . . . 51 GLU HA . 17371 1 625 . 1 1 70 70 GLU HB2 H 1 2.074 0.04 . 2 . . . . 51 GLU HB2 . 17371 1 626 . 1 1 70 70 GLU HB3 H 1 1.855 0.04 . 2 . . . . 51 GLU HB3 . 17371 1 627 . 1 1 70 70 GLU HG2 H 1 2.199 0.04 . 2 . . . . 51 GLU HG2 . 17371 1 628 . 1 1 70 70 GLU HG3 H 1 2.199 0.04 . 2 . . . . 51 GLU HG3 . 17371 1 629 . 1 1 70 70 GLU C C 13 176.599 0.4 . 1 . . . . 51 GLU C . 17371 1 630 . 1 1 70 70 GLU CA C 13 56.674 0.40 . 1 . . . . 51 GLU CA . 17371 1 631 . 1 1 70 70 GLU CB C 13 29.433 0.40 . 1 . . . . 51 GLU CB . 17371 1 632 . 1 1 70 70 GLU CG C 13 36.586 0.40 . 1 . . . . 51 GLU CG . 17371 1 633 . 1 1 70 70 GLU N N 15 112.372 0.40 . 1 . . . . 51 GLU N . 17371 1 634 . 1 1 71 71 ALA H H 1 7.393 0.04 . 1 . . . . 52 ALA H . 17371 1 635 . 1 1 71 71 ALA HA H 1 4.288 0.04 . 1 . . . . 52 ALA HA . 17371 1 636 . 1 1 71 71 ALA HB1 H 1 1.298 0.04 . 1 . . . . 52 ALA HB . 17371 1 637 . 1 1 71 71 ALA HB2 H 1 1.298 0.04 . 1 . . . . 52 ALA HB . 17371 1 638 . 1 1 71 71 ALA HB3 H 1 1.298 0.04 . 1 . . . . 52 ALA HB . 17371 1 639 . 1 1 71 71 ALA C C 13 177.104 0.4 . 1 . . . . 52 ALA C . 17371 1 640 . 1 1 71 71 ALA CA C 13 51.652 0.40 . 1 . . . . 52 ALA CA . 17371 1 641 . 1 1 71 71 ALA CB C 13 20.480 0.40 . 1 . . . . 52 ALA CB . 17371 1 642 . 1 1 71 71 ALA N N 15 122.638 0.40 . 1 . . . . 52 ALA N . 17371 1 643 . 1 1 72 72 THR H H 1 8.035 0.04 . 1 . . . . 53 THR H . 17371 1 644 . 1 1 72 72 THR HA H 1 4.865 0.04 . 1 . . . . 53 THR HA . 17371 1 645 . 1 1 72 72 THR HB H 1 4.428 0.04 . 1 . . . . 53 THR HB . 17371 1 646 . 1 1 72 72 THR HG21 H 1 1.063 0.04 . . . . . . 53 THR HG2 . 17371 1 647 . 1 1 72 72 THR HG22 H 1 1.063 0.04 . . . . . . 53 THR HG2 . 17371 1 648 . 1 1 72 72 THR HG23 H 1 1.063 0.04 . . . . . . 53 THR HG2 . 17371 1 649 . 1 1 72 72 THR C C 13 177.131 0.4 . 1 . . . . 53 THR C . 17371 1 650 . 1 1 72 72 THR CA C 13 59.759 0.40 . 1 . . . . 53 THR CA . 17371 1 651 . 1 1 72 72 THR CB C 13 70.814 0.40 . 1 . . . . 53 THR CB . 17371 1 652 . 1 1 72 72 THR CG2 C 13 22.203 0.40 . 1 . . . . 53 THR CG2 . 17371 1 653 . 1 1 72 72 THR N N 15 108.388 0.40 . 1 . . . . 53 THR N . 17371 1 654 . 1 1 73 73 LEU H H 1 8.570 0.04 . 1 . . . . 54 LEU H . 17371 1 655 . 1 1 73 73 LEU HA H 1 3.719 0.04 . 1 . . . . 54 LEU HA . 17371 1 656 . 1 1 73 73 LEU HB2 H 1 1.664 0.04 . 2 . . . . 54 LEU HB2 . 17371 1 657 . 1 1 73 73 LEU HB3 H 1 1.106 0.04 . 2 . . . . 54 LEU HB3 . 17371 1 658 . 1 1 73 73 LEU HD11 H 1 0.768 0.04 . 2 . . . . 54 LEU HD1 . 17371 1 659 . 1 1 73 73 LEU HD12 H 1 0.768 0.04 . 2 . . . . 54 LEU HD1 . 17371 1 660 . 1 1 73 73 LEU HD13 H 1 0.768 0.04 . 2 . . . . 54 LEU HD1 . 17371 1 661 . 1 1 73 73 LEU HD21 H 1 0.554 0.04 . 2 . . . . 54 LEU HD2 . 17371 1 662 . 1 1 73 73 LEU HD22 H 1 0.554 0.04 . 2 . . . . 54 LEU HD2 . 17371 1 663 . 1 1 73 73 LEU HD23 H 1 0.554 0.04 . 2 . . . . 54 LEU HD2 . 17371 1 664 . 1 1 73 73 LEU C C 13 180.188 0.4 . 1 . . . . 54 LEU C . 17371 1 665 . 1 1 73 73 LEU CA C 13 58.202 0.40 . 1 . . . . 54 LEU CA . 17371 1 666 . 1 1 73 73 LEU CB C 13 41.098 0.40 . 1 . . . . 54 LEU CB . 17371 1 667 . 1 1 73 73 LEU CD1 C 13 26.616 0.40 . 2 . . . . 54 LEU CD1 . 17371 1 668 . 1 1 73 73 LEU CD2 C 13 21.767 0.40 . 2 . . . . 54 LEU CD2 . 17371 1 669 . 1 1 73 73 LEU N N 15 120.425 0.40 . 1 . . . . 54 LEU N . 17371 1 670 . 1 1 74 74 GLY H H 1 8.941 0.04 . 1 . . . . 55 GLY H . 17371 1 671 . 1 1 74 74 GLY HA2 H 1 3.819 0.04 . 2 . . . . 55 GLY HA2 . 17371 1 672 . 1 1 74 74 GLY HA3 H 1 3.819 0.04 . 2 . . . . 55 GLY HA3 . 17371 1 673 . 1 1 74 74 GLY C C 13 177.814 0.4 . 1 . . . . 55 GLY C . 17371 1 674 . 1 1 74 74 GLY CA C 13 46.957 0.40 . 1 . . . . 55 GLY CA . 17371 1 675 . 1 1 74 74 GLY N N 15 105.987 0.40 . 1 . . . . 55 GLY N . 17371 1 676 . 1 1 75 75 GLN H H 1 7.904 0.04 . 1 . . . . 56 GLN H . 17371 1 677 . 1 1 75 75 GLN HA H 1 4.056 0.04 . 1 . . . . 56 GLN HA . 17371 1 678 . 1 1 75 75 GLN HB2 H 1 2.071 0.04 . 2 . . . . 56 GLN HB2 . 17371 1 679 . 1 1 75 75 GLN HB3 H 1 2.328 0.04 . 2 . . . . 56 GLN HB3 . 17371 1 680 . 1 1 75 75 GLN HG2 H 1 2.405 0.04 . 2 . . . . 56 GLN HG2 . 17371 1 681 . 1 1 75 75 GLN HG3 H 1 2.405 0.04 . 2 . . . . 56 GLN HG3 . 17371 1 682 . 1 1 75 75 GLN HE21 H 1 6.831 0.04 . 2 . . . . 56 GLN HE21 . 17371 1 683 . 1 1 75 75 GLN HE22 H 1 7.475 0.04 . 2 . . . . 56 GLN HE22 . 17371 1 684 . 1 1 75 75 GLN C C 13 178.127 0.4 . 1 . . . . 56 GLN C . 17371 1 685 . 1 1 75 75 GLN CA C 13 58.148 0.40 . 1 . . . . 56 GLN CA . 17371 1 686 . 1 1 75 75 GLN CB C 13 28.627 0.40 . 1 . . . . 56 GLN CB . 17371 1 687 . 1 1 75 75 GLN CG C 13 34.325 0.40 . 1 . . . . 56 GLN CG . 17371 1 688 . 1 1 75 75 GLN N N 15 122.842 0.40 . 1 . . . . 56 GLN N . 17371 1 689 . 1 1 75 75 GLN NE2 N 15 111.708 0.04 . 1 . . . . 56 GLN NE2 . 17371 1 690 . 1 1 76 76 CYS H H 1 7.559 0.04 . 1 . . . . 57 CYS H . 17371 1 691 . 1 1 76 76 CYS HA H 1 4.282 0.04 . 1 . . . . 57 CYS HA . 17371 1 692 . 1 1 76 76 CYS HB2 H 1 2.971 0.04 . 2 . . . . 57 CYS HB2 . 17371 1 693 . 1 1 76 76 CYS HB3 H 1 2.791 0.04 . 2 . . . . 57 CYS HB3 . 17371 1 694 . 1 1 76 76 CYS C C 13 174.265 0.4 . 1 . . . . 57 CYS C . 17371 1 695 . 1 1 76 76 CYS CA C 13 59.977 0.40 . 1 . . . . 57 CYS CA . 17371 1 696 . 1 1 76 76 CYS CB C 13 28.082 0.40 . 1 . . . . 57 CYS CB . 17371 1 697 . 1 1 76 76 CYS N N 15 114.960 0.40 . 1 . . . . 57 CYS N . 17371 1 698 . 1 1 77 77 GLY H H 1 7.673 0.04 . 1 . . . . 58 GLY H . 17371 1 699 . 1 1 77 77 GLY HA2 H 1 3.882 0.04 . 2 . . . . 58 GLY HA2 . 17371 1 700 . 1 1 77 77 GLY HA3 H 1 3.701 0.04 . 2 . . . . 58 GLY HA3 . 17371 1 701 . 1 1 77 77 GLY C C 13 174.593 0.4 . 1 . . . . 58 GLY C . 17371 1 702 . 1 1 77 77 GLY CA C 13 45.783 0.40 . 1 . . . . 58 GLY CA . 17371 1 703 . 1 1 77 77 GLY N N 15 106.736 0.40 . 1 . . . . 58 GLY N . 17371 1 704 . 1 1 78 78 VAL H H 1 7.222 0.04 . 1 . . . . 59 VAL H . 17371 1 705 . 1 1 78 78 VAL HA H 1 3.564 0.04 . 1 . . . . 59 VAL HA . 17371 1 706 . 1 1 78 78 VAL HB H 1 1.687 0.04 . 1 . . . . 59 VAL HB . 17371 1 707 . 1 1 78 78 VAL HG11 H 1 0.813 0.04 . 2 . . . . 59 VAL HG1 . 17371 1 708 . 1 1 78 78 VAL HG12 H 1 0.813 0.04 . 2 . . . . 59 VAL HG1 . 17371 1 709 . 1 1 78 78 VAL HG13 H 1 0.813 0.04 . 2 . . . . 59 VAL HG1 . 17371 1 710 . 1 1 78 78 VAL HG21 H 1 0.745 0.04 . 2 . . . . 59 VAL HG2 . 17371 1 711 . 1 1 78 78 VAL HG22 H 1 0.745 0.04 . 2 . . . . 59 VAL HG2 . 17371 1 712 . 1 1 78 78 VAL HG23 H 1 0.745 0.04 . 2 . . . . 59 VAL HG2 . 17371 1 713 . 1 1 78 78 VAL C C 13 174.306 0.4 . 1 . . . . 59 VAL C . 17371 1 714 . 1 1 78 78 VAL CA C 13 63.716 0.40 . 1 . . . . 59 VAL CA . 17371 1 715 . 1 1 78 78 VAL CB C 13 31.125 0.40 . 1 . . . . 59 VAL CB . 17371 1 716 . 1 1 78 78 VAL CG1 C 13 22.557 0.40 . 2 . . . . 59 VAL CG1 . 17371 1 717 . 1 1 78 78 VAL CG2 C 13 22.149 0.40 . 2 . . . . 59 VAL CG2 . 17371 1 718 . 1 1 78 78 VAL N N 15 118.773 0.40 . 1 . . . . 59 VAL N . 17371 1 719 . 1 1 79 79 GLU H H 1 7.853 0.04 . 1 . . . . 60 GLU H . 17371 1 720 . 1 1 79 79 GLU HA H 1 4.490 0.04 . 1 . . . . 60 GLU HA . 17371 1 721 . 1 1 79 79 GLU HB2 H 1 2.008 0.04 . 2 . . . . 60 GLU HB2 . 17371 1 722 . 1 1 79 79 GLU HB3 H 1 1.753 0.04 . 2 . . . . 60 GLU HB3 . 17371 1 723 . 1 1 79 79 GLU HG2 H 1 2.187 0.04 . 2 . . . . 60 GLU HG2 . 17371 1 724 . 1 1 79 79 GLU HG3 H 1 2.077 0.04 . 2 . . . . 60 GLU HG3 . 17371 1 725 . 1 1 79 79 GLU C C 13 175.835 0.4 . 1 . . . . 60 GLU C . 17371 1 726 . 1 1 79 79 GLU CA C 13 54.326 0.40 . 1 . . . . 60 GLU CA . 17371 1 727 . 1 1 79 79 GLU CB C 13 32.654 0.40 . 1 . . . . 60 GLU CB . 17371 1 728 . 1 1 79 79 GLU CG C 13 36.082 0.40 . 1 . . . . 60 GLU CG . 17371 1 729 . 1 1 79 79 GLU N N 15 125.941 0.40 . 1 . . . . 60 GLU N . 17371 1 730 . 1 1 80 80 ALA H H 1 8.553 0.04 . 1 . . . . 61 ALA H . 17371 1 731 . 1 1 80 80 ALA HA H 1 3.945 0.04 . 1 . . . . 61 ALA HA . 17371 1 732 . 1 1 80 80 ALA HB1 H 1 1.384 0.04 . 1 . . . . 61 ALA HB . 17371 1 733 . 1 1 80 80 ALA HB2 H 1 1.384 0.04 . 1 . . . . 61 ALA HB . 17371 1 734 . 1 1 80 80 ALA HB3 H 1 1.384 0.04 . 1 . . . . 61 ALA HB . 17371 1 735 . 1 1 80 80 ALA C C 13 178.332 0.4 . 1 . . . . 61 ALA C . 17371 1 736 . 1 1 80 80 ALA CA C 13 54.109 0.40 . 1 . . . . 61 ALA CA . 17371 1 737 . 1 1 80 80 ALA CB C 13 18.815 0.40 . 1 . . . . 61 ALA CB . 17371 1 738 . 1 1 80 80 ALA N N 15 123.234 0.40 . 1 . . . . 61 ALA N . 17371 1 739 . 1 1 81 81 LEU H H 1 9.020 0.04 . 1 . . . . 62 LEU H . 17371 1 740 . 1 1 81 81 LEU HA H 1 3.541 0.04 . 1 . . . . 62 LEU HA . 17371 1 741 . 1 1 81 81 LEU HB2 H 1 2.197 0.04 . 2 . . . . 62 LEU HB2 . 17371 1 742 . 1 1 81 81 LEU HB3 H 1 1.739 0.04 . 2 . . . . 62 LEU HB3 . 17371 1 743 . 1 1 81 81 LEU HG H 1 1.416 0.04 . 1 . . . . 62 LEU HG . 17371 1 744 . 1 1 81 81 LEU HD11 H 1 0.871 0.04 . 2 . . . . 62 LEU HD1 . 17371 1 745 . 1 1 81 81 LEU HD12 H 1 0.871 0.04 . 2 . . . . 62 LEU HD1 . 17371 1 746 . 1 1 81 81 LEU HD13 H 1 0.871 0.04 . 2 . . . . 62 LEU HD1 . 17371 1 747 . 1 1 81 81 LEU HD21 H 1 0.818 0.04 . 2 . . . . 62 LEU HD2 . 17371 1 748 . 1 1 81 81 LEU HD22 H 1 0.818 0.04 . 2 . . . . 62 LEU HD2 . 17371 1 749 . 1 1 81 81 LEU HD23 H 1 0.818 0.04 . 2 . . . . 62 LEU HD2 . 17371 1 750 . 1 1 81 81 LEU C C 13 176.067 0.4 . 1 . . . . 62 LEU C . 17371 1 751 . 1 1 81 81 LEU CA C 13 56.646 0.40 . 1 . . . . 62 LEU CA . 17371 1 752 . 1 1 81 81 LEU CB C 13 38.249 0.40 . 1 . . . . 62 LEU CB . 17371 1 753 . 1 1 81 81 LEU CG C 13 26.970 0.40 . 1 . . . . 62 LEU CG . 17371 1 754 . 1 1 81 81 LEU CD1 C 13 25.472 0.40 . 2 . . . . 62 LEU CD1 . 17371 1 755 . 1 1 81 81 LEU CD2 C 13 23.020 0.40 . 2 . . . . 62 LEU CD2 . 17371 1 756 . 1 1 81 81 LEU N N 15 113.904 0.40 . 1 . . . . 62 LEU N . 17371 1 757 . 1 1 82 82 THR H H 1 7.723 0.04 . 1 . . . . 63 THR H . 17371 1 758 . 1 1 82 82 THR HA H 1 4.130 0.04 . 1 . . . . 63 THR HA . 17371 1 759 . 1 1 82 82 THR HB H 1 3.999 0.04 . 1 . . . . 63 THR HB . 17371 1 760 . 1 1 82 82 THR HG21 H 1 1.171 0.04 . . . . . . 63 THR HG2 . 17371 1 761 . 1 1 82 82 THR HG22 H 1 1.171 0.04 . . . . . . 63 THR HG2 . 17371 1 762 . 1 1 82 82 THR HG23 H 1 1.171 0.04 . . . . . . 63 THR HG2 . 17371 1 763 . 1 1 82 82 THR C C 13 172.464 0.4 . 1 . . . . 63 THR C . 17371 1 764 . 1 1 82 82 THR CA C 13 64.508 0.40 . 1 . . . . 63 THR CA . 17371 1 765 . 1 1 82 82 THR CB C 13 69.721 0.40 . 1 . . . . 63 THR CB . 17371 1 766 . 1 1 82 82 THR CG2 C 13 22.830 0.40 . 1 . . . . 63 THR CG2 . 17371 1 767 . 1 1 82 82 THR N N 15 117.496 0.40 . 1 . . . . 63 THR N . 17371 1 768 . 1 1 83 83 THR H H 1 8.314 0.04 . 1 . . . . 64 THR H . 17371 1 769 . 1 1 83 83 THR HA H 1 5.287 0.04 . 1 . . . . 64 THR HA . 17371 1 770 . 1 1 83 83 THR HB H 1 3.920 0.04 . 1 . . . . 64 THR HB . 17371 1 771 . 1 1 83 83 THR HG21 H 1 0.967 0.04 . . . . . . 64 THR HG2 . 17371 1 772 . 1 1 83 83 THR HG22 H 1 0.967 0.04 . . . . . . 64 THR HG2 . 17371 1 773 . 1 1 83 83 THR HG23 H 1 0.967 0.04 . . . . . . 64 THR HG2 . 17371 1 774 . 1 1 83 83 THR C C 13 174.688 0.4 . 1 . . . . 64 THR C . 17371 1 775 . 1 1 83 83 THR CA C 13 61.778 0.40 . 1 . . . . 64 THR CA . 17371 1 776 . 1 1 83 83 THR CB C 13 69.721 0.40 . 1 . . . . 64 THR CB . 17371 1 777 . 1 1 83 83 THR CG2 C 13 20.896 0.40 . 1 . . . . 64 THR CG2 . 17371 1 778 . 1 1 83 83 THR N N 15 120.050 0.40 . 1 . . . . 64 THR N . 17371 1 779 . 1 1 84 84 LEU H H 1 8.989 0.04 . 1 . . . . 65 LEU H . 17371 1 780 . 1 1 84 84 LEU HA H 1 4.857 0.04 . 1 . . . . 65 LEU HA . 17371 1 781 . 1 1 84 84 LEU HB2 H 1 1.648 0.04 . 2 . . . . 65 LEU HB2 . 17371 1 782 . 1 1 84 84 LEU HB3 H 1 1.339 0.04 . 2 . . . . 65 LEU HB3 . 17371 1 783 . 1 1 84 84 LEU HD11 H 1 0.670 0.04 . 2 . . . . 65 LEU HD1 . 17371 1 784 . 1 1 84 84 LEU HD12 H 1 0.670 0.04 . 2 . . . . 65 LEU HD1 . 17371 1 785 . 1 1 84 84 LEU HD13 H 1 0.670 0.04 . 2 . . . . 65 LEU HD1 . 17371 1 786 . 1 1 84 84 LEU HD21 H 1 0.772 0.04 . 2 . . . . 65 LEU HD2 . 17371 1 787 . 1 1 84 84 LEU HD22 H 1 0.772 0.04 . 2 . . . . 65 LEU HD2 . 17371 1 788 . 1 1 84 84 LEU HD23 H 1 0.772 0.04 . 2 . . . . 65 LEU HD2 . 17371 1 789 . 1 1 84 84 LEU C C 13 175.152 0.4 . 1 . . . . 65 LEU C . 17371 1 790 . 1 1 84 84 LEU CA C 13 53.017 0.40 . 1 . . . . 65 LEU CA . 17371 1 791 . 1 1 84 84 LEU CB C 13 43.722 0.40 . 1 . . . . 65 LEU CB . 17371 1 792 . 1 1 84 84 LEU CD1 C 13 25.554 0.40 . 2 . . . . 65 LEU CD1 . 17371 1 793 . 1 1 84 84 LEU CD2 C 13 24.301 0.40 . 2 . . . . 65 LEU CD2 . 17371 1 794 . 1 1 84 84 LEU N N 15 126.928 0.40 . 1 . . . . 65 LEU N . 17371 1 795 . 1 1 85 85 GLU H H 1 8.596 0.04 . 1 . . . . 66 GLU H . 17371 1 796 . 1 1 85 85 GLU HA H 1 5.189 0.04 . 1 . . . . 66 GLU HA . 17371 1 797 . 1 1 85 85 GLU HB2 H 1 1.927 0.04 . 2 . . . . 66 GLU HB2 . 17371 1 798 . 1 1 85 85 GLU HB3 H 1 1.820 0.04 . 2 . . . . 66 GLU HB3 . 17371 1 799 . 1 1 85 85 GLU HG2 H 1 2.179 0.04 . 2 . . . . 66 GLU HG2 . 17371 1 800 . 1 1 85 85 GLU HG3 H 1 1.992 0.04 . 2 . . . . 66 GLU HG3 . 17371 1 801 . 1 1 85 85 GLU C C 13 177.172 0.4 . 1 . . . . 66 GLU C . 17371 1 802 . 1 1 85 85 GLU CA C 13 54.573 0.40 . 1 . . . . 66 GLU CA . 17371 1 803 . 1 1 85 85 GLU CB C 13 33.159 0.40 . 1 . . . . 66 GLU CB . 17371 1 804 . 1 1 85 85 GLU CG C 13 36.627 0.40 . 1 . . . . 66 GLU CG . 17371 1 805 . 1 1 85 85 GLU N N 15 120.697 0.40 . 1 . . . . 66 GLU N . 17371 1 806 . 1 1 86 86 VAL H H 1 8.471 0.04 . 1 . . . . 67 VAL H . 17371 1 807 . 1 1 86 86 VAL HA H 1 4.814 0.04 . 1 . . . . 67 VAL HA . 17371 1 808 . 1 1 86 86 VAL HB H 1 1.796 0.04 . 1 . . . . 67 VAL HB . 17371 1 809 . 1 1 86 86 VAL HG11 H 1 0.727 0.04 . 2 . . . . 67 VAL HG1 . 17371 1 810 . 1 1 86 86 VAL HG12 H 1 0.727 0.04 . 2 . . . . 67 VAL HG1 . 17371 1 811 . 1 1 86 86 VAL HG13 H 1 0.727 0.04 . 2 . . . . 67 VAL HG1 . 17371 1 812 . 1 1 86 86 VAL HG21 H 1 0.687 0.04 . 2 . . . . 67 VAL HG2 . 17371 1 813 . 1 1 86 86 VAL HG22 H 1 0.687 0.04 . 2 . . . . 67 VAL HG2 . 17371 1 814 . 1 1 86 86 VAL HG23 H 1 0.687 0.04 . 2 . . . . 67 VAL HG2 . 17371 1 815 . 1 1 86 86 VAL C C 13 174.743 0.4 . 1 . . . . 67 VAL C . 17371 1 816 . 1 1 86 86 VAL CA C 13 61.478 0.40 . 1 . . . . 67 VAL CA . 17371 1 817 . 1 1 86 86 VAL CB C 13 32.926 0.40 . 1 . . . . 67 VAL CB . 17371 1 818 . 1 1 86 86 VAL CG1 C 13 21.304 0.40 . 2 . . . . 67 VAL CG1 . 17371 1 819 . 1 1 86 86 VAL CG2 C 13 22.203 0.40 . 2 . . . . 67 VAL CG2 . 17371 1 820 . 1 1 86 86 VAL N N 15 123.047 0.40 . 1 . . . . 67 VAL N . 17371 1 821 . 1 1 87 87 ALA H H 1 8.971 0.04 . 1 . . . . 68 ALA H . 17371 1 822 . 1 1 87 87 ALA HA H 1 4.674 0.04 . 1 . . . . 68 ALA HA . 17371 1 823 . 1 1 87 87 ALA HB1 H 1 1.204 0.04 . 1 . . . . 68 ALA HB . 17371 1 824 . 1 1 87 87 ALA HB2 H 1 1.204 0.04 . 1 . . . . 68 ALA HB . 17371 1 825 . 1 1 87 87 ALA HB3 H 1 1.204 0.04 . 1 . . . . 68 ALA HB . 17371 1 826 . 1 1 87 87 ALA C C 13 175.944 0.4 . 1 . . . . 68 ALA C . 17371 1 827 . 1 1 87 87 ALA CA C 13 50.178 0.40 . 1 . . . . 68 ALA CA . 17371 1 828 . 1 1 87 87 ALA CB C 13 22.800 0.40 . 1 . . . . 68 ALA CB . 17371 1 829 . 1 1 87 87 ALA N N 15 131.780 0.40 . 1 . . . . 68 ALA N . 17371 1 830 . 1 1 88 88 GLY H H 1 8.289 0.04 . 1 . . . . 69 GLY H . 17371 1 831 . 1 1 88 88 GLY HA2 H 1 4.267 0.04 . 2 . . . . 69 GLY HA2 . 17371 1 832 . 1 1 88 88 GLY HA3 H 1 3.572 0.04 . 2 . . . . 69 GLY HA3 . 17371 1 833 . 1 1 88 88 GLY C C 13 174.593 0.4 . 1 . . . . 69 GLY C . 17371 1 834 . 1 1 88 88 GLY CA C 13 45.264 0.40 . 1 . . . . 69 GLY CA . 17371 1 835 . 1 1 88 88 GLY N N 15 106.541 0.40 . 1 . . . . 69 GLY N . 17371 1 836 . 1 1 89 89 ARG H H 1 8.199 0.04 . 1 . . . . 70 ARG H . 17371 1 837 . 1 1 89 89 ARG HA H 1 3.995 0.04 . 1 . . . . 70 ARG HA . 17371 1 838 . 1 1 89 89 ARG HB2 H 1 1.565 0.04 . 2 . . . . 70 ARG HB2 . 17371 1 839 . 1 1 89 89 ARG HB3 H 1 1.500 0.04 . 2 . . . . 70 ARG HB3 . 17371 1 840 . 1 1 89 89 ARG HG2 H 1 1.390 0.04 . 2 . . . . 70 ARG HG2 . 17371 1 841 . 1 1 89 89 ARG HG3 H 1 1.390 0.04 . 2 . . . . 70 ARG HG3 . 17371 1 842 . 1 1 89 89 ARG HD2 H 1 3.091 0.04 . 2 . . . . 70 ARG HD2 . 17371 1 843 . 1 1 89 89 ARG HD3 H 1 3.091 0.04 . 2 . . . . 70 ARG HD3 . 17371 1 844 . 1 1 89 89 ARG C C 13 177.049 0.4 . 1 . . . . 70 ARG C . 17371 1 845 . 1 1 89 89 ARG CA C 13 56.782 0.40 . 1 . . . . 70 ARG CA . 17371 1 846 . 1 1 89 89 ARG CB C 13 30.934 0.40 . 1 . . . . 70 ARG CB . 17371 1 847 . 1 1 89 89 ARG CG C 13 27.569 0.40 . 1 . . . . 70 ARG CG . 17371 1 848 . 1 1 89 89 ARG CD C 13 43.342 0.40 . 1 . . . . 70 ARG CD . 17371 1 849 . 1 1 89 89 ARG N N 15 122.161 0.40 . 1 . . . . 70 ARG N . 17371 1 850 . 1 1 90 90 MET H H 1 8.479 0.04 . 1 . . . . 71 MET H . 17371 1 851 . 1 1 90 90 MET HA H 1 4.377 0.04 . 1 . . . . 71 MET HA . 17371 1 852 . 1 1 90 90 MET HB2 H 1 1.963 0.04 . 2 . . . . 71 MET HB2 . 17371 1 853 . 1 1 90 90 MET HB3 H 1 1.911 0.04 . 2 . . . . 71 MET HB3 . 17371 1 854 . 1 1 90 90 MET HG2 H 1 2.492 0.04 . 2 . . . . 71 MET HG2 . 17371 1 855 . 1 1 90 90 MET HG3 H 1 2.406 0.04 . 2 . . . . 71 MET HG3 . 17371 1 856 . 1 1 90 90 MET HE1 H 1 1.960 0.04 . . . . . . 71 MET HE . 17371 1 857 . 1 1 90 90 MET HE2 H 1 1.960 0.04 . . . . . . 71 MET HE . 17371 1 858 . 1 1 90 90 MET HE3 H 1 1.960 0.04 . . . . . . 71 MET HE . 17371 1 859 . 1 1 90 90 MET C C 13 176.053 0.4 . 1 . . . . 71 MET C . 17371 1 860 . 1 1 90 90 MET CA C 13 55.118 0.40 . 1 . . . . 71 MET CA . 17371 1 861 . 1 1 90 90 MET CB C 13 32.528 0.40 . 1 . . . . 71 MET CB . 17371 1 862 . 1 1 90 90 MET CG C 13 31.982 0.40 . 1 . . . . 71 MET CG . 17371 1 863 . 1 1 90 90 MET CE C 13 17.104 0.40 . 1 . . . . 71 MET CE . 17371 1 864 . 1 1 90 90 MET N N 15 121.668 0.40 . 1 . . . . 71 MET N . 17371 1 865 . 1 1 91 91 LEU H H 1 8.259 0.04 . 1 . . . . 72 LEU H . 17371 1 866 . 1 1 91 91 LEU HA H 1 4.239 0.04 . 1 . . . . 72 LEU HA . 17371 1 867 . 1 1 91 91 LEU HB2 H 1 1.576 0.04 . 2 . . . . 72 LEU HB2 . 17371 1 868 . 1 1 91 91 LEU HB3 H 1 1.497 0.04 . 2 . . . . 72 LEU HB3 . 17371 1 869 . 1 1 91 91 LEU HD11 H 1 0.821 0.04 . 2 . . . . 72 LEU HD1 . 17371 1 870 . 1 1 91 91 LEU HD12 H 1 0.821 0.04 . 2 . . . . 72 LEU HD1 . 17371 1 871 . 1 1 91 91 LEU HD13 H 1 0.821 0.04 . 2 . . . . 72 LEU HD1 . 17371 1 872 . 1 1 91 91 LEU HD21 H 1 0.760 0.04 . 2 . . . . 72 LEU HD2 . 17371 1 873 . 1 1 91 91 LEU HD22 H 1 0.760 0.04 . 2 . . . . 72 LEU HD2 . 17371 1 874 . 1 1 91 91 LEU HD23 H 1 0.760 0.04 . 2 . . . . 72 LEU HD2 . 17371 1 875 . 1 1 91 91 LEU C C 13 177.602 0.4 . 1 . . . . 72 LEU C . 17371 1 876 . 1 1 91 91 LEU CA C 13 55.145 0.40 . 1 . . . . 72 LEU CA . 17371 1 877 . 1 1 91 91 LEU CB C 13 42.098 0.40 . 1 . . . . 72 LEU CB . 17371 1 878 . 1 1 91 91 LEU CD1 C 13 24.845 0.40 . 2 . . . . 72 LEU CD1 . 17371 1 879 . 1 1 91 91 LEU CD2 C 13 23.429 0.40 . 2 . . . . 72 LEU CD2 . 17371 1 880 . 1 1 91 91 LEU N N 15 124.272 0.40 . 1 . . . . 72 LEU N . 17371 1 881 . 1 1 92 92 GLY H H 1 8.318 0.04 . 1 . . . . 73 GLY H . 17371 1 882 . 1 1 92 92 GLY HA2 H 1 3.858 0.04 . 2 . . . . 73 GLY HA2 . 17371 1 883 . 1 1 92 92 GLY HA3 H 1 3.858 0.04 . 2 . . . . 73 GLY HA3 . 17371 1 884 . 1 1 92 92 GLY C C 13 173.678 0.4 . 1 . . . . 73 GLY C . 17371 1 885 . 1 1 92 92 GLY CA C 13 45.237 0.40 . 1 . . . . 73 GLY CA . 17371 1 886 . 1 1 92 92 GLY N N 15 121.787 0.40 . 1 . . . . 73 GLY N . 17371 1 887 . 1 1 93 93 GLY H H 1 7.859 0.04 . 1 . . . . 74 GLY H . 17371 1 888 . 1 1 93 93 GLY HA2 H 1 3.685 0.04 . 2 . . . . 74 GLY HA2 . 17371 1 889 . 1 1 93 93 GLY HA3 H 1 3.629 0.04 . 2 . . . . 74 GLY HA3 . 17371 1 890 . 1 1 93 93 GLY CA C 13 45.930 0.40 . 1 . . . . 74 GLY CA . 17371 1 891 . 1 1 93 93 GLY N N 15 115.147 0.40 . 1 . . . . 74 GLY N . 17371 1 stop_ save_