################################### # 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 30611 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30611 1 2 '2D 1H-15N HSQC' . . . 30611 1 3 '3D 1H-15N NOESY' . . . 30611 1 4 '3D 1H-15N TOCSY' . . . 30611 1 5 '3D HNCA' . . . 30611 1 6 '2D 1H-15N HSQC' . . . 30611 1 7 '3D HNCACB' . . . 30611 1 8 '3D HBHA(CO)NH' . . . 30611 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 68 68 GLU H H 1 9.333 0.02 . 1 . . . . A 68 GLU H . 30611 1 2 . 1 . 1 68 68 GLU HA H 1 4.130 0.02 . 1 . . . . A 68 GLU HA . 30611 1 3 . 1 . 1 68 68 GLU HB2 H 1 2.055 0.02 . 2 . . . . A 68 GLU HB2 . 30611 1 4 . 1 . 1 68 68 GLU HB3 H 1 2.000 0.02 . 2 . . . . A 68 GLU HB3 . 30611 1 5 . 1 . 1 68 68 GLU HG2 H 1 2.277 0.02 . 2 . . . . A 68 GLU HG2 . 30611 1 6 . 1 . 1 68 68 GLU HG3 H 1 2.230 0.02 . 2 . . . . A 68 GLU HG3 . 30611 1 7 . 1 . 1 68 68 GLU CA C 13 55.800 0.20 . 1 . . . . A 68 GLU CA . 30611 1 8 . 1 . 1 68 68 GLU CB C 13 29.300 0.20 . 1 . . . . A 68 GLU CB . 30611 1 9 . 1 . 1 68 68 GLU N N 15 126.328 0.20 . 1 . . . . A 68 GLU N . 30611 1 10 . 1 . 1 69 69 GLY H H 1 8.243 0.02 . 1 . . . . A 69 GLY H . 30611 1 11 . 1 . 1 69 69 GLY HA2 H 1 3.980 0.02 . 2 . . . . A 69 GLY HA2 . 30611 1 12 . 1 . 1 69 69 GLY HA3 H 1 3.950 0.02 . 2 . . . . A 69 GLY HA3 . 30611 1 13 . 1 . 1 69 69 GLY CA C 13 45.500 0.20 . 1 . . . . A 69 GLY CA . 30611 1 14 . 1 . 1 69 69 GLY N N 15 105.568 0.20 . 1 . . . . A 69 GLY N . 30611 1 15 . 1 . 1 70 70 GLY H H 1 8.232 0.02 . 1 . . . . A 70 GLY H . 30611 1 16 . 1 . 1 70 70 GLY HA2 H 1 3.972 0.02 . 2 . . . . A 70 GLY HA2 . 30611 1 17 . 1 . 1 70 70 GLY HA3 H 1 3.943 0.02 . 2 . . . . A 70 GLY HA3 . 30611 1 18 . 1 . 1 70 70 GLY CA C 13 45.601 0.02 . 1 . . . . A 70 GLY CA . 30611 1 19 . 1 . 1 70 70 GLY N N 15 108.003 0.02 . 1 . . . . A 70 GLY N . 30611 1 20 . 1 . 1 71 71 GLN H H 1 7.752 0.02 . 1 . . . . A 71 GLN H . 30611 1 21 . 1 . 1 71 71 GLN HA H 1 4.040 0.02 . 1 . . . . A 71 GLN HA . 30611 1 22 . 1 . 1 71 71 GLN HB2 H 1 1.988 0.02 . 2 . . . . A 71 GLN HB2 . 30611 1 23 . 1 . 1 71 71 GLN HB3 H 1 2.010 0.02 . 2 . . . . A 71 GLN HB3 . 30611 1 24 . 1 . 1 71 71 GLN HG2 H 1 2.420 0.02 . 2 . . . . A 71 GLN HG2 . 30611 1 25 . 1 . 1 71 71 GLN HG3 H 1 2.430 0.02 . 2 . . . . A 71 GLN HG3 . 30611 1 26 . 1 . 1 71 71 GLN N N 15 114.185 0.20 . 1 . . . . A 71 GLN N . 30611 1 27 . 1 . 1 72 72 HIS H H 1 7.703 0.02 . 1 . . . . A 72 HIS H . 30611 1 28 . 1 . 1 72 72 HIS HA H 1 4.730 0.02 . 1 . . . . A 72 HIS HA . 30611 1 29 . 1 . 1 72 72 HIS HB2 H 1 2.280 0.02 . 2 . . . . A 72 HIS HB2 . 30611 1 30 . 1 . 1 72 72 HIS HB3 H 1 3.110 0.02 . 2 . . . . A 72 HIS HB3 . 30611 1 31 . 1 . 1 72 72 HIS N N 15 120.643 0.20 . 1 . . . . A 72 HIS N . 30611 1 32 . 1 . 1 73 73 LEU H H 1 8.073 0.02 . 1 . . . . A 73 LEU H . 30611 1 33 . 1 . 1 73 73 LEU HA H 1 4.320 0.02 . 1 . . . . A 73 LEU HA . 30611 1 34 . 1 . 1 73 73 LEU HB2 H 1 1.610 0.02 . 2 . . . . A 73 LEU HB2 . 30611 1 35 . 1 . 1 73 73 LEU HB3 H 1 1.620 0.02 . 2 . . . . A 73 LEU HB3 . 30611 1 36 . 1 . 1 73 73 LEU HG H 1 1.530 0.02 . 1 . . . . A 73 LEU HG . 30611 1 37 . 1 . 1 73 73 LEU HD11 H 1 0.820 0.02 . 2 . . . . A 73 LEU HD11 . 30611 1 38 . 1 . 1 73 73 LEU HD12 H 1 0.820 0.02 . 2 . . . . A 73 LEU HD12 . 30611 1 39 . 1 . 1 73 73 LEU HD13 H 1 0.820 0.02 . 2 . . . . A 73 LEU HD13 . 30611 1 40 . 1 . 1 73 73 LEU HD21 H 1 0.880 0.02 . 2 . . . . A 73 LEU HD21 . 30611 1 41 . 1 . 1 73 73 LEU HD22 H 1 0.880 0.02 . 2 . . . . A 73 LEU HD22 . 30611 1 42 . 1 . 1 73 73 LEU HD23 H 1 0.880 0.02 . 2 . . . . A 73 LEU HD23 . 30611 1 43 . 1 . 1 73 73 LEU CA C 13 51.900 0.20 . 1 . . . . A 73 LEU CA . 30611 1 44 . 1 . 1 73 73 LEU CB C 13 38.400 0.20 . 1 . . . . A 73 LEU CB . 30611 1 45 . 1 . 1 73 73 LEU N N 15 120.388 0.20 . 1 . . . . A 73 LEU N . 30611 1 46 . 1 . 1 74 74 ASN H H 1 7.297 0.02 . 1 . . . . A 74 ASN H . 30611 1 47 . 1 . 1 74 74 ASN HA H 1 4.700 0.02 . 1 . . . . A 74 ASN HA . 30611 1 48 . 1 . 1 74 74 ASN HB2 H 1 2.840 0.02 . 2 . . . . A 74 ASN HB2 . 30611 1 49 . 1 . 1 74 74 ASN HB3 H 1 2.800 0.02 . 2 . . . . A 74 ASN HB3 . 30611 1 50 . 1 . 1 74 74 ASN CA C 13 51.400 0.20 . 1 . . . . A 74 ASN CA . 30611 1 51 . 1 . 1 74 74 ASN CB C 13 38.400 0.20 . 1 . . . . A 74 ASN CB . 30611 1 52 . 1 . 1 74 74 ASN N N 15 116.791 0.20 . 1 . . . . A 74 ASN N . 30611 1 53 . 1 . 1 75 75 VAL H H 1 8.266 0.02 . 1 . . . . A 75 VAL H . 30611 1 54 . 1 . 1 75 75 VAL HA H 1 4.711 0.02 . 1 . . . . A 75 VAL HA . 30611 1 55 . 1 . 1 75 75 VAL HB H 1 1.910 0.02 . 1 . . . . A 75 VAL HB . 30611 1 56 . 1 . 1 75 75 VAL HG11 H 1 0.920 0.02 . 2 . . . . A 75 VAL HG11 . 30611 1 57 . 1 . 1 75 75 VAL HG12 H 1 0.920 0.02 . 2 . . . . A 75 VAL HG12 . 30611 1 58 . 1 . 1 75 75 VAL HG13 H 1 0.920 0.02 . 2 . . . . A 75 VAL HG13 . 30611 1 59 . 1 . 1 75 75 VAL HG21 H 1 0.900 0.02 . 2 . . . . A 75 VAL HG21 . 30611 1 60 . 1 . 1 75 75 VAL HG22 H 1 0.900 0.02 . 2 . . . . A 75 VAL HG22 . 30611 1 61 . 1 . 1 75 75 VAL HG23 H 1 0.900 0.02 . 2 . . . . A 75 VAL HG23 . 30611 1 62 . 1 . 1 75 75 VAL CA C 13 64.900 0.20 . 1 . . . . A 75 VAL CA . 30611 1 63 . 1 . 1 75 75 VAL N N 15 108.477 0.20 . 1 . . . . A 75 VAL N . 30611 1 64 . 1 . 1 76 76 ASN H H 1 7.536 0.02 . 1 . . . . A 76 ASN H . 30611 1 65 . 1 . 1 76 76 ASN HA H 1 4.670 0.02 . 1 . . . . A 76 ASN HA . 30611 1 66 . 1 . 1 76 76 ASN HB2 H 1 3.700 0.02 . 2 . . . . A 76 ASN HB2 . 30611 1 67 . 1 . 1 76 76 ASN HB3 H 1 2.670 0.02 . 2 . . . . A 76 ASN HB3 . 30611 1 68 . 1 . 1 76 76 ASN CA C 13 52.00 0.20 . 1 . . . . A 76 ASN CA . 30611 1 69 . 1 . 1 76 76 ASN CB C 13 37.00 0.20 . 1 . . . . A 76 ASN CB . 30611 1 70 . 1 . 1 76 76 ASN N N 15 113.920 0.20 . 1 . . . . A 76 ASN N . 30611 1 71 . 1 . 1 77 77 VAL H H 1 8.580 0.02 . 1 . . . . A 77 VAL H . 30611 1 72 . 1 . 1 77 77 VAL HA H 1 3.210 0.02 . 1 . . . . A 77 VAL HA . 30611 1 73 . 1 . 1 77 77 VAL HB H 1 3.210 0.02 . 1 . . . . A 77 VAL HB . 30611 1 74 . 1 . 1 77 77 VAL HG11 H 1 0.930 0.02 . 2 . . . . A 77 VAL HG11 . 30611 1 75 . 1 . 1 77 77 VAL HG12 H 1 0.930 0.02 . 2 . . . . A 77 VAL HG12 . 30611 1 76 . 1 . 1 77 77 VAL HG13 H 1 0.930 0.02 . 2 . . . . A 77 VAL HG13 . 30611 1 77 . 1 . 1 77 77 VAL HG21 H 1 0.940 0.02 . 2 . . . . A 77 VAL HG21 . 30611 1 78 . 1 . 1 77 77 VAL HG22 H 1 0.940 0.02 . 2 . . . . A 77 VAL HG22 . 30611 1 79 . 1 . 1 77 77 VAL HG23 H 1 0.940 0.02 . 2 . . . . A 77 VAL HG23 . 30611 1 80 . 1 . 1 77 77 VAL CA C 13 61.945 0.20 . 1 . . . . A 77 VAL CA . 30611 1 81 . 1 . 1 77 77 VAL N N 15 116.462 0.20 . 1 . . . . A 77 VAL N . 30611 1 82 . 1 . 1 78 78 LEU H H 1 8.265 0.02 . 1 . . . . A 78 LEU H . 30611 1 83 . 1 . 1 78 78 LEU HA H 1 4.310 0.02 . 1 . . . . A 78 LEU HA . 30611 1 84 . 1 . 1 78 78 LEU HB2 H 1 1.160 0.02 . 2 . . . . A 78 LEU HB2 . 30611 1 85 . 1 . 1 78 78 LEU HB3 H 1 1.580 0.02 . 2 . . . . A 78 LEU HB3 . 30611 1 86 . 1 . 1 78 78 LEU HG H 1 1.620 0.02 . 1 . . . . A 78 LEU HG . 30611 1 87 . 1 . 1 78 78 LEU HD11 H 1 0.820 0.02 . 2 . . . . A 78 LEU HD11 . 30611 1 88 . 1 . 1 78 78 LEU HD12 H 1 0.820 0.02 . 2 . . . . A 78 LEU HD12 . 30611 1 89 . 1 . 1 78 78 LEU HD13 H 1 0.820 0.02 . 2 . . . . A 78 LEU HD13 . 30611 1 90 . 1 . 1 78 78 LEU HD21 H 1 0.880 0.02 . 2 . . . . A 78 LEU HD21 . 30611 1 91 . 1 . 1 78 78 LEU HD22 H 1 0.880 0.02 . 2 . . . . A 78 LEU HD22 . 30611 1 92 . 1 . 1 78 78 LEU HD23 H 1 0.880 0.02 . 2 . . . . A 78 LEU HD23 . 30611 1 93 . 1 . 1 78 78 LEU CA C 13 52.500 0.20 . 1 . . . . A 78 LEU CA . 30611 1 94 . 1 . 1 78 78 LEU N N 15 121.986 0.20 . 1 . . . . A 78 LEU N . 30611 1 95 . 1 . 1 79 79 ARG H H 1 7.919 0.02 . 1 . . . . A 79 ARG H . 30611 1 96 . 1 . 1 79 79 ARG HA H 1 4.350 0.02 . 1 . . . . A 79 ARG HA . 30611 1 97 . 1 . 1 79 79 ARG HB2 H 1 1.920 0.02 . 2 . . . . A 79 ARG HB2 . 30611 1 98 . 1 . 1 79 79 ARG HB3 H 1 1.940 0.02 . 2 . . . . A 79 ARG HB3 . 30611 1 99 . 1 . 1 79 79 ARG HG2 H 1 1.590 0.02 . 2 . . . . A 79 ARG HG2 . 30611 1 100 . 1 . 1 79 79 ARG HG3 H 1 1.610 0.02 . 2 . . . . A 79 ARG HG3 . 30611 1 101 . 1 . 1 79 79 ARG HD2 H 1 3.170 0.02 . 2 . . . . A 79 ARG HD2 . 30611 1 102 . 1 . 1 79 79 ARG HD3 H 1 3.220 0.02 . 2 . . . . A 79 ARG HD3 . 30611 1 103 . 1 . 1 79 79 ARG CA C 13 51.600 0.20 . 1 . . . . A 79 ARG CA . 30611 1 104 . 1 . 1 79 79 ARG N N 15 130.158 0.20 . 1 . . . . A 79 ARG N . 30611 1 105 . 1 . 1 80 80 ARG H H 1 7.704 0.20 . 1 . . . . A 80 ARG H . 30611 1 106 . 1 . 1 80 80 ARG HA H 1 4.650 0.20 . 1 . . . . A 80 ARG HA . 30611 1 107 . 1 . 1 80 80 ARG HB2 H 1 1.920 0.20 . 2 . . . . A 80 ARG HB2 . 30611 1 108 . 1 . 1 80 80 ARG HB3 H 1 1.200 0.20 . 2 . . . . A 80 ARG HB3 . 30611 1 109 . 1 . 1 80 80 ARG HG2 H 1 1.200 0.20 . 1 . . . . A 80 ARG HG2 . 30611 1 110 . 1 . 1 80 80 ARG HG3 H 1 1.200 0.20 . 1 . . . . A 80 ARG HG3 . 30611 1 111 . 1 . 1 80 80 ARG HD2 H 1 3.172 0.20 . 2 . . . . A 80 ARG HD2 . 30611 1 112 . 1 . 1 80 80 ARG HD3 H 1 3.211 0.20 . 2 . . . . A 80 ARG HD3 . 30611 1 113 . 1 . 1 80 80 ARG CA C 13 56.600 0.20 . 1 . . . . A 80 ARG CA . 30611 1 114 . 1 . 1 80 80 ARG CB C 13 29.300 0.20 . 1 . . . . A 80 ARG CB . 30611 1 115 . 1 . 1 80 80 ARG N N 15 119.448 0.20 . 1 . . . . A 80 ARG N . 30611 1 116 . 1 . 1 81 81 GLU H H 1 8.835 0.02 . 1 . . . . A 81 GLU H . 30611 1 117 . 1 . 1 81 81 GLU CA C 13 58.800 0.20 . 1 . . . . A 81 GLU CA . 30611 1 118 . 1 . 1 81 81 GLU N N 15 122.885 0.20 . 1 . . . . A 81 GLU N . 30611 1 119 . 1 . 1 82 82 THR H H 1 8.535 0.02 . 1 . . . . A 82 THR H . 30611 1 120 . 1 . 1 82 82 THR HA H 1 4.730 0.02 . 1 . . . . A 82 THR HA . 30611 1 121 . 1 . 1 82 82 THR HB H 1 4.730 0.02 . 1 . . . . A 82 THR HB . 30611 1 122 . 1 . 1 82 82 THR HG21 H 1 1.150 0.02 . 1 . . . . A 82 THR HG21 . 30611 1 123 . 1 . 1 82 82 THR HG22 H 1 1.150 0.02 . 1 . . . . A 82 THR HG22 . 30611 1 124 . 1 . 1 82 82 THR HG23 H 1 1.150 0.02 . 1 . . . . A 82 THR HG23 . 30611 1 125 . 1 . 1 82 82 THR CA C 13 59.800 0.20 . 1 . . . . A 82 THR CA . 30611 1 126 . 1 . 1 82 82 THR N N 15 120.788 0.20 . 1 . . . . A 82 THR N . 30611 1 127 . 1 . 1 83 83 LEU H H 1 7.919 0.02 . 1 . . . . A 83 LEU H . 30611 1 128 . 1 . 1 83 83 LEU HA H 1 4.523 0.02 . 1 . . . . A 83 LEU HA . 30611 1 129 . 1 . 1 83 83 LEU HB2 H 1 1.560 0.02 . 1 . . . . A 83 LEU HB2 . 30611 1 130 . 1 . 1 83 83 LEU HB3 H 1 1.560 0.02 . 1 . . . . A 83 LEU HB3 . 30611 1 131 . 1 . 1 83 83 LEU HG H 1 1.560 0.02 . 1 . . . . A 83 LEU HG . 30611 1 132 . 1 . 1 83 83 LEU HD11 H 1 0.820 0.02 . 2 . . . . A 83 LEU HD11 . 30611 1 133 . 1 . 1 83 83 LEU HD12 H 1 0.820 0.02 . 2 . . . . A 83 LEU HD12 . 30611 1 134 . 1 . 1 83 83 LEU HD13 H 1 0.820 0.02 . 2 . . . . A 83 LEU HD13 . 30611 1 135 . 1 . 1 83 83 LEU HD21 H 1 0.880 0.02 . 2 . . . . A 83 LEU HD21 . 30611 1 136 . 1 . 1 83 83 LEU HD22 H 1 0.880 0.02 . 2 . . . . A 83 LEU HD22 . 30611 1 137 . 1 . 1 83 83 LEU HD23 H 1 0.880 0.02 . 2 . . . . A 83 LEU HD23 . 30611 1 138 . 1 . 1 83 83 LEU CA C 13 57.600 0.20 . 1 . . . . A 83 LEU CA . 30611 1 139 . 1 . 1 83 83 LEU CB C 13 39.300 0.20 . 1 . . . . A 83 LEU CB . 30611 1 140 . 1 . 1 83 83 LEU N N 15 130.158 0.20 . 1 . . . . A 83 LEU N . 30611 1 141 . 1 . 1 84 84 GLU H H 1 8.201 0.02 . 1 . . . . A 84 GLU H . 30611 1 142 . 1 . 1 84 84 GLU HA H 1 4.100 0.02 . 1 . . . . A 84 GLU HA . 30611 1 143 . 1 . 1 84 84 GLU HB2 H 1 2.000 0.02 . 2 . . . . A 84 GLU HB2 . 30611 1 144 . 1 . 1 84 84 GLU HB3 H 1 2.060 0.02 . 2 . . . . A 84 GLU HB3 . 30611 1 145 . 1 . 1 84 84 GLU HG2 H 1 2.310 0.02 . 2 . . . . A 84 GLU HG2 . 30611 1 146 . 1 . 1 84 84 GLU HG3 H 1 2.230 0.02 . 2 . . . . A 84 GLU HG3 . 30611 1 147 . 1 . 1 84 84 GLU CA C 13 57.600 0.20 . 1 . . . . A 84 GLU CA . 30611 1 148 . 1 . 1 84 84 GLU N N 15 117.019 0.20 . 1 . . . . A 84 GLU N . 30611 1 149 . 1 . 1 85 85 ASP H H 1 7.664 0.02 . 1 . . . . A 85 ASP H . 30611 1 150 . 1 . 1 85 85 ASP HA H 1 4.540 0.02 . 1 . . . . A 85 ASP HA . 30611 1 151 . 1 . 1 85 85 ASP HB2 H 1 2.480 0.02 . 2 . . . . A 85 ASP HB2 . 30611 1 152 . 1 . 1 85 85 ASP HB3 H 1 2.590 0.02 . 2 . . . . A 85 ASP HB3 . 30611 1 153 . 1 . 1 85 85 ASP CA C 13 55.100 0.20 . 1 . . . . A 85 ASP CA . 30611 1 154 . 1 . 1 85 85 ASP CB C 13 41.200 0.20 . 1 . . . . A 85 ASP CB . 30611 1 155 . 1 . 1 85 85 ASP N N 15 121.537 0.20 . 1 . . . . A 85 ASP N . 30611 1 156 . 1 . 1 86 86 ALA H H 1 7.535 0.02 . 1 . . . . A 86 ALA H . 30611 1 157 . 1 . 1 86 86 ALA HA H 1 4.060 0.02 . 1 . . . . A 86 ALA HA . 30611 1 158 . 1 . 1 86 86 ALA HB1 H 1 1.400 0.02 . 1 . . . . A 86 ALA HB1 . 30611 1 159 . 1 . 1 86 86 ALA HB2 H 1 1.400 0.02 . 1 . . . . A 86 ALA HB2 . 30611 1 160 . 1 . 1 86 86 ALA HB3 H 1 1.400 0.02 . 1 . . . . A 86 ALA HB3 . 30611 1 161 . 1 . 1 86 86 ALA CA C 13 54.600 0.20 . 1 . . . . A 86 ALA CA . 30611 1 162 . 1 . 1 86 86 ALA CB C 13 17.400 0.20 . 1 . . . . A 86 ALA CB . 30611 1 163 . 1 . 1 86 86 ALA N N 15 122.578 0.20 . 1 . . . . A 86 ALA N . 30611 1 164 . 1 . 1 87 87 VAL H H 1 8.478 0.02 . 1 . . . . A 87 VAL H . 30611 1 165 . 1 . 1 87 87 VAL HA H 1 4.451 0.02 . 1 . . . . A 87 VAL HA . 30611 1 166 . 1 . 1 87 87 VAL HB H 1 2.060 0.02 . 1 . . . . A 87 VAL HB . 30611 1 167 . 1 . 1 87 87 VAL HG11 H 1 0.910 0.02 . 1 . . . . A 87 VAL HG11 . 30611 1 168 . 1 . 1 87 87 VAL HG12 H 1 0.910 0.02 . 1 . . . . A 87 VAL HG12 . 30611 1 169 . 1 . 1 87 87 VAL HG13 H 1 0.910 0.02 . 1 . . . . A 87 VAL HG13 . 30611 1 170 . 1 . 1 87 87 VAL HG21 H 1 0.910 0.02 . 1 . . . . A 87 VAL HG21 . 30611 1 171 . 1 . 1 87 87 VAL HG22 H 1 0.910 0.02 . 1 . . . . A 87 VAL HG22 . 30611 1 172 . 1 . 1 87 87 VAL HG23 H 1 0.910 0.02 . 1 . . . . A 87 VAL HG23 . 30611 1 173 . 1 . 1 87 87 VAL CA C 13 56.400 0.20 . 1 . . . . A 87 VAL CA . 30611 1 174 . 1 . 1 87 87 VAL N N 15 128.089 0.20 . 1 . . . . A 87 VAL N . 30611 1 175 . 1 . 1 88 88 LYS H H 1 8.835 0.02 . 1 . . . . A 88 LYS H . 30611 1 176 . 1 . 1 88 88 LYS HA H 1 5.140 0.02 . 1 . . . . A 88 LYS HA . 30611 1 177 . 1 . 1 88 88 LYS HB2 H 1 2.060 0.02 . 1 . . . . A 88 LYS HB2 . 30611 1 178 . 1 . 1 88 88 LYS HB3 H 1 2.060 0.02 . 1 . . . . A 88 LYS HB3 . 30611 1 179 . 1 . 1 88 88 LYS HG2 H 1 1.440 0.02 . 2 . . . . A 88 LYS HG2 . 30611 1 180 . 1 . 1 88 88 LYS HG3 H 1 1.380 0.02 . 2 . . . . A 88 LYS HG3 . 30611 1 181 . 1 . 1 88 88 LYS HD2 H 1 1.660 0.02 . 1 . . . . A 88 LYS HD2 . 30611 1 182 . 1 . 1 88 88 LYS HD3 H 1 1.660 0.02 . 1 . . . . A 88 LYS HD3 . 30611 1 183 . 1 . 1 88 88 LYS HE2 H 1 2.970 0.02 . 1 . . . . A 88 LYS HE2 . 30611 1 184 . 1 . 1 88 88 LYS HE3 H 1 2.970 0.02 . 1 . . . . A 88 LYS HE3 . 30611 1 185 . 1 . 1 88 88 LYS CA C 13 57.500 0.20 . 1 . . . . A 88 LYS CA . 30611 1 186 . 1 . 1 88 88 LYS CB C 13 32.300 0.20 . 1 . . . . A 88 LYS CB . 30611 1 187 . 1 . 1 88 88 LYS N N 15 122.885 0.20 . 1 . . . . A 88 LYS N . 30611 1 188 . 1 . 1 89 89 HIS H H 1 7.348 0.02 . 1 . . . . A 89 HIS H . 30611 1 189 . 1 . 1 89 89 HIS CA C 13 55.500 0.20 . 1 . . . . A 89 HIS CA . 30611 1 190 . 1 . 1 89 89 HIS N N 15 117.703 0.20 . 1 . . . . A 89 HIS N . 30611 1 191 . 1 . 1 90 90 PRO HA H 1 4.410 0.02 . 1 . . . . A 90 PRO HA . 30611 1 192 . 1 . 1 90 90 PRO HB2 H 1 2.300 0.02 . 2 . . . . A 90 PRO HB2 . 30611 1 193 . 1 . 1 90 90 PRO HB3 H 1 1.930 0.02 . 2 . . . . A 90 PRO HB3 . 30611 1 194 . 1 . 1 90 90 PRO HG2 H 1 1.940 0.02 . 2 . . . . A 90 PRO HG2 . 30611 1 195 . 1 . 1 90 90 PRO HG3 H 1 2.030 0.02 . 2 . . . . A 90 PRO HG3 . 30611 1 196 . 1 . 1 90 90 PRO HD2 H 1 3.750 0.02 . 2 . . . . A 90 PRO HD2 . 30611 1 197 . 1 . 1 90 90 PRO HD3 H 1 3.630 0.02 . 2 . . . . A 90 PRO HD3 . 30611 1 198 . 1 . 1 90 90 PRO CA C 13 61.000 0.20 . 1 . . . . A 90 PRO CA . 30611 1 199 . 1 . 1 91 91 GLU H H 1 8.442 0.02 . 1 . . . . A 91 GLU H . 30611 1 200 . 1 . 1 91 91 GLU HA H 1 4.650 0.02 . 1 . . . . A 91 GLU HA . 30611 1 201 . 1 . 1 91 91 GLU HB2 H 1 2.080 0.02 . 1 . . . . A 91 GLU HB2 . 30611 1 202 . 1 . 1 91 91 GLU HB3 H 1 2.080 0.02 . 1 . . . . A 91 GLU HB3 . 30611 1 203 . 1 . 1 91 91 GLU HG2 H 1 2.240 0.02 . 1 . . . . A 91 GLU HG2 . 30611 1 204 . 1 . 1 91 91 GLU HG3 H 1 2.240 0.02 . 1 . . . . A 91 GLU HG3 . 30611 1 205 . 1 . 1 91 91 GLU CA C 13 55.800 0.20 . 1 . . . . A 91 GLU CA . 30611 1 206 . 1 . 1 91 91 GLU CB C 13 30.500 0.20 . 1 . . . . A 91 GLU CB . 30611 1 207 . 1 . 1 91 91 GLU N N 15 125.324 0.20 . 1 . . . . A 91 GLU N . 30611 1 208 . 1 . 1 92 92 LYS H H 1 8.466 0.02 . 1 . . . . A 92 LYS H . 30611 1 209 . 1 . 1 92 92 LYS HA H 1 4.020 0.02 . 1 . . . . A 92 LYS HA . 30611 1 210 . 1 . 1 92 92 LYS HB2 H 1 2.060 0.02 . 1 . . . . A 92 LYS HB2 . 30611 1 211 . 1 . 1 92 92 LYS HB3 H 1 2.060 0.02 . 1 . . . . A 92 LYS HB3 . 30611 1 212 . 1 . 1 92 92 LYS HG3 H 1 0.910 0.02 . 2 . . . . A 92 LYS HG3 . 30611 1 213 . 1 . 1 92 92 LYS HE2 H 1 2.820 0.02 . 1 . . . . A 92 LYS HE2 . 30611 1 214 . 1 . 1 92 92 LYS HE3 H 1 2.820 0.02 . 1 . . . . A 92 LYS HE3 . 30611 1 215 . 1 . 1 92 92 LYS CA C 13 56.400 0.20 . 1 . . . . A 92 LYS CA . 30611 1 216 . 1 . 1 92 92 LYS N N 15 125.771 0.20 . 1 . . . . A 92 LYS N . 30611 1 217 . 1 . 1 93 93 TYR H H 1 8.078 0.02 . 1 . . . . A 93 TYR H . 30611 1 218 . 1 . 1 93 93 TYR HA H 1 4.010 0.02 . 1 . . . . A 93 TYR HA . 30611 1 219 . 1 . 1 93 93 TYR CA C 13 55.900 0.20 . 1 . . . . A 93 TYR CA . 30611 1 220 . 1 . 1 93 93 TYR N N 15 108.309 0.20 . 1 . . . . A 93 TYR N . 30611 1 221 . 1 . 1 94 94 PRO HA H 1 4.360 0.02 . 1 . . . . A 94 PRO HA . 30611 1 222 . 1 . 1 94 94 PRO HB2 H 1 2.300 0.02 . 2 . . . . A 94 PRO HB2 . 30611 1 223 . 1 . 1 94 94 PRO HB3 H 1 1.890 0.02 . 2 . . . . A 94 PRO HB3 . 30611 1 224 . 1 . 1 94 94 PRO HG2 H 1 1.950 0.02 . 2 . . . . A 94 PRO HG2 . 30611 1 225 . 1 . 1 94 94 PRO HG3 H 1 2.030 0.02 . 2 . . . . A 94 PRO HG3 . 30611 1 226 . 1 . 1 94 94 PRO HD2 H 1 3.740 0.02 . 2 . . . . A 94 PRO HD2 . 30611 1 227 . 1 . 1 94 94 PRO HD3 H 1 3.660 0.02 . 2 . . . . A 94 PRO HD3 . 30611 1 228 . 1 . 1 94 94 PRO CA C 13 62.199 0.20 . 1 . . . . A 94 PRO CA . 30611 1 229 . 1 . 1 95 95 GLN H H 1 8.508 0.02 . 1 . . . . A 95 GLN H . 30611 1 230 . 1 . 1 95 95 GLN HA H 1 3.900 0.02 . 1 . . . . A 95 GLN HA . 30611 1 231 . 1 . 1 95 95 GLN HB2 H 1 1.995 0.02 . 2 . . . . A 95 GLN HB2 . 30611 1 232 . 1 . 1 95 95 GLN HB3 H 1 2.070 0.02 . 2 . . . . A 95 GLN HB3 . 30611 1 233 . 1 . 1 95 95 GLN HG2 H 1 2.400 0.02 . 2 . . . . A 95 GLN HG2 . 30611 1 234 . 1 . 1 95 95 GLN HG3 H 1 2.430 0.02 . 2 . . . . A 95 GLN HG3 . 30611 1 235 . 1 . 1 95 95 GLN CA C 13 55.805 0.20 . 1 . . . . A 95 GLN CA . 30611 1 236 . 1 . 1 95 95 GLN N N 15 121.532 0.20 . 1 . . . . A 95 GLN N . 30611 1 237 . 1 . 1 96 96 LEU H H 1 7.182 0.02 . 1 . . . . A 96 LEU H . 30611 1 238 . 1 . 1 96 96 LEU HA H 1 4.440 0.02 . 1 . . . . A 96 LEU HA . 30611 1 239 . 1 . 1 96 96 LEU HB2 H 1 1.860 0.02 . 1 . . . . A 96 LEU HB2 . 30611 1 240 . 1 . 1 96 96 LEU HB3 H 1 1.860 0.02 . 1 . . . . A 96 LEU HB3 . 30611 1 241 . 1 . 1 96 96 LEU HG H 1 1.860 0.02 . 1 . . . . A 96 LEU HG . 30611 1 242 . 1 . 1 96 96 LEU HD11 H 1 0.830 0.02 . 2 . . . . A 96 LEU HD11 . 30611 1 243 . 1 . 1 96 96 LEU HD12 H 1 0.830 0.02 . 2 . . . . A 96 LEU HD12 . 30611 1 244 . 1 . 1 96 96 LEU HD13 H 1 0.830 0.02 . 2 . . . . A 96 LEU HD13 . 30611 1 245 . 1 . 1 96 96 LEU HD21 H 1 0.880 0.02 . 2 . . . . A 96 LEU HD21 . 30611 1 246 . 1 . 1 96 96 LEU HD22 H 1 0.880 0.02 . 2 . . . . A 96 LEU HD22 . 30611 1 247 . 1 . 1 96 96 LEU HD23 H 1 0.880 0.02 . 2 . . . . A 96 LEU HD23 . 30611 1 248 . 1 . 1 96 96 LEU CA C 13 55.225 0.20 . 1 . . . . A 96 LEU CA . 30611 1 249 . 1 . 1 96 96 LEU CB C 13 44.600 0.20 . 1 . . . . A 96 LEU CB . 30611 1 250 . 1 . 1 96 96 LEU N N 15 116.790 0.20 . 1 . . . . A 96 LEU N . 30611 1 251 . 1 . 1 97 97 THR H H 1 8.185 0.02 . 1 . . . . A 97 THR H . 30611 1 252 . 1 . 1 97 97 THR HA H 1 4.730 0.02 . 1 . . . . A 97 THR HA . 30611 1 253 . 1 . 1 97 97 THR HB H 1 4.730 0.02 . 1 . . . . A 97 THR HB . 30611 1 254 . 1 . 1 97 97 THR HG21 H 1 1.450 0.02 . 1 . . . . A 97 THR HG21 . 30611 1 255 . 1 . 1 97 97 THR HG22 H 1 1.450 0.02 . 1 . . . . A 97 THR HG22 . 30611 1 256 . 1 . 1 97 97 THR HG23 H 1 1.450 0.02 . 1 . . . . A 97 THR HG23 . 30611 1 257 . 1 . 1 97 97 THR CA C 13 55.200 0.20 . 1 . . . . A 97 THR CA . 30611 1 258 . 1 . 1 97 97 THR N N 15 126.304 0.20 . 1 . . . . A 97 THR N . 30611 1 259 . 1 . 1 98 98 ILE H H 1 8.024 0.02 . 1 . . . . A 98 ILE H . 30611 1 260 . 1 . 1 98 98 ILE HA H 1 4.701 0.02 . 1 . . . . A 98 ILE HA . 30611 1 261 . 1 . 1 98 98 ILE HB H 1 1.820 0.02 . 1 . . . . A 98 ILE HB . 30611 1 262 . 1 . 1 98 98 ILE HG12 H 1 1.330 0.02 . 2 . . . . A 98 ILE HG12 . 30611 1 263 . 1 . 1 98 98 ILE HG13 H 1 1.060 0.02 . 2 . . . . A 98 ILE HG13 . 30611 1 264 . 1 . 1 98 98 ILE HG21 H 1 0.910 0.02 . 1 . . . . A 98 ILE HG21 . 30611 1 265 . 1 . 1 98 98 ILE HG22 H 1 0.910 0.02 . 1 . . . . A 98 ILE HG22 . 30611 1 266 . 1 . 1 98 98 ILE HG23 H 1 0.910 0.02 . 1 . . . . A 98 ILE HG23 . 30611 1 267 . 1 . 1 98 98 ILE HD11 H 1 0.820 0.02 . 1 . . . . A 98 ILE HD11 . 30611 1 268 . 1 . 1 98 98 ILE HD12 H 1 0.820 0.02 . 1 . . . . A 98 ILE HD12 . 30611 1 269 . 1 . 1 98 98 ILE HD13 H 1 0.820 0.02 . 1 . . . . A 98 ILE HD13 . 30611 1 270 . 1 . 1 98 98 ILE CA C 13 59.400 0.20 . 1 . . . . A 98 ILE CA . 30611 1 271 . 1 . 1 98 98 ILE N N 15 115.825 0.20 . 1 . . . . A 98 ILE N . 30611 1 272 . 1 . 1 99 99 ARG H H 1 8.206 0.02 . 1 . . . . A 99 ARG H . 30611 1 273 . 1 . 1 99 99 ARG HA H 1 4.870 0.02 . 1 . . . . A 99 ARG HA . 30611 1 274 . 1 . 1 99 99 ARG CA C 13 54.300 0.20 . 1 . . . . A 99 ARG CA . 30611 1 275 . 1 . 1 99 99 ARG N N 15 122.319 0.20 . 1 . . . . A 99 ARG N . 30611 1 276 . 1 . 1 100 100 VAL H H 1 8.968 0.02 . 1 . . . . A 100 VAL H . 30611 1 277 . 1 . 1 100 100 VAL HA H 1 4.120 0.02 . 1 . . . . A 100 VAL HA . 30611 1 278 . 1 . 1 100 100 VAL CA C 13 58.200 0.20 . 1 . . . . A 100 VAL CA . 30611 1 279 . 1 . 1 100 100 VAL N N 15 122.319 0.20 . 1 . . . . A 100 VAL N . 30611 1 280 . 1 . 1 101 101 SER H H 1 8.535 0.02 . 1 . . . . A 101 SER H . 30611 1 281 . 1 . 1 101 101 SER HA H 1 4.330 0.02 . 1 . . . . A 101 SER HA . 30611 1 282 . 1 . 1 101 101 SER HB2 H 1 3.690 0.02 . 2 . . . . A 101 SER HB2 . 30611 1 283 . 1 . 1 101 101 SER HB3 H 1 4.160 0.02 . 2 . . . . A 101 SER HB3 . 30611 1 284 . 1 . 1 101 101 SER CA C 13 56.700 0.20 . 1 . . . . A 101 SER CA . 30611 1 285 . 1 . 1 101 101 SER CB C 13 63.429 0.20 . 1 . . . . A 101 SER CB . 30611 1 286 . 1 . 1 101 101 SER N N 15 120.788 0.20 . 1 . . . . A 101 SER N . 30611 1 287 . 1 . 1 102 102 GLY H H 1 8.266 0.02 . 1 . . . . A 102 GLY H . 30611 1 288 . 1 . 1 102 102 GLY HA2 H 1 3.960 0.02 . 2 . . . . A 102 GLY HA2 . 30611 1 289 . 1 . 1 102 102 GLY HA3 H 1 3.698 0.02 . 2 . . . . A 102 GLY HA3 . 30611 1 290 . 1 . 1 102 102 GLY CA C 13 44.600 0.20 . 1 . . . . A 102 GLY CA . 30611 1 291 . 1 . 1 102 102 GLY N N 15 108.477 0.20 . 1 . . . . A 102 GLY N . 30611 1 292 . 1 . 1 103 103 TYR H H 1 7.030 0.02 . 1 . . . . A 103 TYR H . 30611 1 293 . 1 . 1 103 103 TYR HA H 1 4.592 0.02 . 1 . . . . A 103 TYR HA . 30611 1 294 . 1 . 1 103 103 TYR HB2 H 1 2.660 0.02 . 1 . . . . A 103 TYR HB2 . 30611 1 295 . 1 . 1 103 103 TYR HB3 H 1 2.660 0.02 . 1 . . . . A 103 TYR HB3 . 30611 1 296 . 1 . 1 103 103 TYR CA C 13 57.300 0.20 . 1 . . . . A 103 TYR CA . 30611 1 297 . 1 . 1 103 103 TYR N N 15 117.422 0.20 . 1 . . . . A 103 TYR N . 30611 1 298 . 1 . 1 104 104 ALA H H 1 7.570 0.02 . 1 . . . . A 104 ALA H . 30611 1 299 . 1 . 1 104 104 ALA CA C 13 51.400 0.20 . 1 . . . . A 104 ALA CA . 30611 1 300 . 1 . 1 104 104 ALA N N 15 115.973 0.20 . 1 . . . . A 104 ALA N . 30611 1 301 . 1 . 1 105 105 VAL H H 1 8.197 0.02 . 1 . . . . A 105 VAL H . 30611 1 302 . 1 . 1 105 105 VAL HA H 1 4.200 0.02 . 1 . . . . A 105 VAL HA . 30611 1 303 . 1 . 1 105 105 VAL HB H 1 2.090 0.02 . 1 . . . . A 105 VAL HB . 30611 1 304 . 1 . 1 105 105 VAL HG11 H 1 0.890 0.02 . 2 . . . . A 105 VAL HG11 . 30611 1 305 . 1 . 1 105 105 VAL HG12 H 1 0.890 0.02 . 2 . . . . A 105 VAL HG12 . 30611 1 306 . 1 . 1 105 105 VAL HG13 H 1 0.890 0.02 . 2 . . . . A 105 VAL HG13 . 30611 1 307 . 1 . 1 105 105 VAL HG21 H 1 0.940 0.02 . 2 . . . . A 105 VAL HG21 . 30611 1 308 . 1 . 1 105 105 VAL HG22 H 1 0.940 0.02 . 2 . . . . A 105 VAL HG22 . 30611 1 309 . 1 . 1 105 105 VAL HG23 H 1 0.940 0.02 . 2 . . . . A 105 VAL HG23 . 30611 1 310 . 1 . 1 105 105 VAL CA C 13 61.559 0.20 . 1 . . . . A 105 VAL CA . 30611 1 311 . 1 . 1 105 105 VAL N N 15 124.510 0.20 . 1 . . . . A 105 VAL N . 30611 1 312 . 1 . 1 106 106 ARG H H 1 8.968 0.02 . 1 . . . . A 106 ARG H . 30611 1 313 . 1 . 1 106 106 ARG HA H 1 4.480 0.02 . 1 . . . . A 106 ARG HA . 30611 1 314 . 1 . 1 106 106 ARG HB2 H 1 1.800 0.02 . 2 . . . . A 106 ARG HB2 . 30611 1 315 . 1 . 1 106 106 ARG HB3 H 1 1.940 0.02 . 2 . . . . A 106 ARG HB3 . 30611 1 316 . 1 . 1 106 106 ARG HG2 H 1 1.570 0.02 . 2 . . . . A 106 ARG HG2 . 30611 1 317 . 1 . 1 106 106 ARG HG3 H 1 1.610 0.02 . 2 . . . . A 106 ARG HG3 . 30611 1 318 . 1 . 1 106 106 ARG HD2 H 1 3.035 0.02 . 2 . . . . A 106 ARG HD2 . 30611 1 319 . 1 . 1 106 106 ARG HD3 H 1 3.001 0.02 . 2 . . . . A 106 ARG HD3 . 30611 1 320 . 1 . 1 106 106 ARG CA C 13 61.500 0.20 . 1 . . . . A 106 ARG CA . 30611 1 321 . 1 . 1 106 106 ARG N N 15 123.939 0.20 . 1 . . . . A 106 ARG N . 30611 1 322 . 1 . 1 107 107 PHE H H 1 8.097 0.02 . 1 . . . . A 107 PHE H . 30611 1 323 . 1 . 1 107 107 PHE HA H 1 4.140 0.02 . 1 . . . . A 107 PHE HA . 30611 1 324 . 1 . 1 107 107 PHE HB2 H 1 3.000 0.02 . 2 . . . . A 107 PHE HB2 . 30611 1 325 . 1 . 1 107 107 PHE HB3 H 1 3.100 0.02 . 2 . . . . A 107 PHE HB3 . 30611 1 326 . 1 . 1 107 107 PHE CA C 13 57.900 0.20 . 1 . . . . A 107 PHE CA . 30611 1 327 . 1 . 1 107 107 PHE N N 15 118.461 0.20 . 1 . . . . A 107 PHE N . 30611 1 328 . 1 . 1 108 108 ASN H H 1 7.536 0.02 . 1 . . . . A 108 ASN H . 30611 1 329 . 1 . 1 108 108 ASN HA H 1 4.660 0.02 . 1 . . . . A 108 ASN HA . 30611 1 330 . 1 . 1 108 108 ASN HB2 H 1 2.840 0.02 . 2 . . . . A 108 ASN HB2 . 30611 1 331 . 1 . 1 108 108 ASN HB3 H 1 2.800 0.02 . 2 . . . . A 108 ASN HB3 . 30611 1 332 . 1 . 1 108 108 ASN CA C 13 56.800 0.20 . 1 . . . . A 108 ASN CA . 30611 1 333 . 1 . 1 108 108 ASN N N 15 113.920 0.20 . 1 . . . . A 108 ASN N . 30611 1 334 . 1 . 1 109 109 SER H H 1 7.877 0.02 . 1 . . . . A 109 SER H . 30611 1 335 . 1 . 1 109 109 SER HA H 1 4.420 0.02 . 1 . . . . A 109 SER HA . 30611 1 336 . 1 . 1 109 109 SER HB2 H 1 3.890 0.02 . 2 . . . . A 109 SER HB2 . 30611 1 337 . 1 . 1 109 109 SER HB3 H 1 3.850 0.02 . 2 . . . . A 109 SER HB3 . 30611 1 338 . 1 . 1 109 109 SER CA C 13 58.396 0.20 . 1 . . . . A 109 SER CA . 30611 1 339 . 1 . 1 109 109 SER N N 15 121.971 0.20 . 1 . . . . A 109 SER N . 30611 1 340 . 1 . 1 110 110 LEU H H 1 7.989 0.02 . 1 . . . . A 110 LEU H . 30611 1 341 . 1 . 1 110 110 LEU HA H 1 3.690 0.02 . 1 . . . . A 110 LEU HA . 30611 1 342 . 1 . 1 110 110 LEU CA C 13 52.376 0.20 . 1 . . . . A 110 LEU CA . 30611 1 343 . 1 . 1 110 110 LEU N N 15 130.151 0.20 . 1 . . . . A 110 LEU N . 30611 1 344 . 1 . 1 111 111 THR H H 1 7.820 0.02 . 1 . . . . A 111 THR H . 30611 1 345 . 1 . 1 111 111 THR HA H 1 4.730 0.02 . 1 . . . . A 111 THR HA . 30611 1 346 . 1 . 1 111 111 THR HB H 1 4.730 0.02 . 1 . . . . A 111 THR HB . 30611 1 347 . 1 . 1 111 111 THR CA C 13 62.600 0.20 . 1 . . . . A 111 THR CA . 30611 1 348 . 1 . 1 111 111 THR N N 15 114.171 0.20 . 1 . . . . A 111 THR N . 30611 1 349 . 1 . 1 112 112 PRO HA H 1 4.423 0.02 . 1 . . . . A 112 PRO HA . 30611 1 350 . 1 . 1 112 112 PRO HB2 H 1 2.402 0.02 . 2 . . . . A 112 PRO HB2 . 30611 1 351 . 1 . 1 112 112 PRO HB3 H 1 1.890 0.02 . 2 . . . . A 112 PRO HB3 . 30611 1 352 . 1 . 1 112 112 PRO HG2 H 1 1.950 0.02 . 2 . . . . A 112 PRO HG2 . 30611 1 353 . 1 . 1 112 112 PRO HG3 H 1 2.040 0.02 . 2 . . . . A 112 PRO HG3 . 30611 1 354 . 1 . 1 112 112 PRO HD2 H 1 3.680 0.02 . 1 . . . . A 112 PRO HD2 . 30611 1 355 . 1 . 1 112 112 PRO HD3 H 1 3.680 0.02 . 1 . . . . A 112 PRO HD3 . 30611 1 356 . 1 . 1 112 112 PRO CA C 13 63.100 0.20 . 1 . . . . A 112 PRO CA . 30611 1 357 . 1 . 1 113 113 GLU H H 1 8.235 0.02 . 1 . . . . A 113 GLU H . 30611 1 358 . 1 . 1 113 113 GLU HA H 1 4.650 0.02 . 1 . . . . A 113 GLU HA . 30611 1 359 . 1 . 1 113 113 GLU HB2 H 1 2.080 0.02 . 2 . . . . A 113 GLU HB2 . 30611 1 360 . 1 . 1 113 113 GLU HB3 H 1 1.370 0.02 . 2 . . . . A 113 GLU HB3 . 30611 1 361 . 1 . 1 113 113 GLU HG2 H 1 2.240 0.02 . 1 . . . . A 113 GLU HG2 . 30611 1 362 . 1 . 1 113 113 GLU HG3 H 1 2.240 0.02 . 1 . . . . A 113 GLU HG3 . 30611 1 363 . 1 . 1 113 113 GLU CA C 13 62.200 0.20 . 1 . . . . A 113 GLU CA . 30611 1 364 . 1 . 1 113 113 GLU CB C 13 30.000 0.20 . 1 . . . . A 113 GLU CB . 30611 1 365 . 1 . 1 113 113 GLU N N 15 122.536 0.20 . 1 . . . . A 113 GLU N . 30611 1 366 . 1 . 1 114 114 GLN H H 1 8.599 0.02 . 1 . . . . A 114 GLN H . 30611 1 367 . 1 . 1 114 114 GLN HA H 1 4.210 0.02 . 1 . . . . A 114 GLN HA . 30611 1 368 . 1 . 1 114 114 GLN HB2 H 1 2.250 0.02 . 2 . . . . A 114 GLN HB2 . 30611 1 369 . 1 . 1 114 114 GLN HB3 H 1 2.100 0.02 . 2 . . . . A 114 GLN HB3 . 30611 1 370 . 1 . 1 114 114 GLN HG2 H 1 2.090 0.02 . 2 . . . . A 114 GLN HG2 . 30611 1 371 . 1 . 1 114 114 GLN HG3 H 1 2.100 0.02 . 2 . . . . A 114 GLN HG3 . 30611 1 372 . 1 . 1 114 114 GLN CA C 13 54.300 0.20 . 1 . . . . A 114 GLN CA . 30611 1 373 . 1 . 1 114 114 GLN N N 15 119.557 0.20 . 1 . . . . A 114 GLN N . 30611 1 374 . 1 . 1 115 115 GLN H H 1 7.704 0.02 . 1 . . . . A 115 GLN H . 30611 1 375 . 1 . 1 115 115 GLN HA H 1 4.160 0.02 . 1 . . . . A 115 GLN HA . 30611 1 376 . 1 . 1 115 115 GLN HB2 H 1 2.030 0.02 . 2 . . . . A 115 GLN HB2 . 30611 1 377 . 1 . 1 115 115 GLN HB3 H 1 2.010 0.02 . 2 . . . . A 115 GLN HB3 . 30611 1 378 . 1 . 1 115 115 GLN HG2 H 1 2.350 0.02 . 2 . . . . A 115 GLN HG2 . 30611 1 379 . 1 . 1 115 115 GLN HG3 H 1 2.430 0.02 . 2 . . . . A 115 GLN HG3 . 30611 1 380 . 1 . 1 115 115 GLN CA C 13 55.700 0.20 . 1 . . . . A 115 GLN CA . 30611 1 381 . 1 . 1 115 115 GLN N N 15 119.448 0.20 . 1 . . . . A 115 GLN N . 30611 1 382 . 1 . 1 116 116 ARG H H 1 8.968 0.02 . 1 . . . . A 116 ARG H . 30611 1 383 . 1 . 1 116 116 ARG HA H 1 4.360 0.02 . 1 . . . . A 116 ARG HA . 30611 1 384 . 1 . 1 116 116 ARG HB2 H 1 1.840 0.02 . 2 . . . . A 116 ARG HB2 . 30611 1 385 . 1 . 1 116 116 ARG HB3 H 1 1.930 0.02 . 2 . . . . A 116 ARG HB3 . 30611 1 386 . 1 . 1 116 116 ARG HG2 H 1 1.630 0.02 . 2 . . . . A 116 ARG HG2 . 30611 1 387 . 1 . 1 116 116 ARG HG3 H 1 1.230 0.02 . 2 . . . . A 116 ARG HG3 . 30611 1 388 . 1 . 1 116 116 ARG HD2 H 1 3.210 0.02 . 1 . . . . A 116 ARG HD2 . 30611 1 389 . 1 . 1 116 116 ARG HD3 H 1 3.012 0.02 . 1 . . . . A 116 ARG HD3 . 30611 1 390 . 1 . 1 116 116 ARG CA C 13 57.047 0.20 . 1 . . . . A 116 ARG CA . 30611 1 391 . 1 . 1 116 116 ARG N N 15 123.939 0.20 . 1 . . . . A 116 ARG N . 30611 1 392 . 1 . 1 117 117 ASP H H 1 7.429 0.02 . 1 . . . . A 117 ASP H . 30611 1 393 . 1 . 1 117 117 ASP HA H 1 4.590 0.02 . 1 . . . . A 117 ASP HA . 30611 1 394 . 1 . 1 117 117 ASP HB2 H 1 2.640 0.02 . 2 . . . . A 117 ASP HB2 . 30611 1 395 . 1 . 1 117 117 ASP HB3 H 1 2.690 0.02 . 2 . . . . A 117 ASP HB3 . 30611 1 396 . 1 . 1 117 117 ASP CA C 13 55.000 0.20 . 1 . . . . A 117 ASP CA . 30611 1 397 . 1 . 1 117 117 ASP CB C 13 42.100 0.20 . 1 . . . . A 117 ASP CB . 30611 1 398 . 1 . 1 117 117 ASP N N 15 117.195 0.20 . 1 . . . . A 117 ASP N . 30611 1 399 . 1 . 1 118 118 VAL H H 1 7.919 0.02 . 1 . . . . A 118 VAL H . 30611 1 400 . 1 . 1 118 118 VAL HA H 1 4.638 0.02 . 1 . . . . A 118 VAL HA . 30611 1 401 . 1 . 1 118 118 VAL HB H 1 2.070 0.02 . 1 . . . . A 118 VAL HB . 30611 1 402 . 1 . 1 118 118 VAL HG11 H 1 0.900 0.02 . 1 . . . . A 118 VAL HG11 . 30611 1 403 . 1 . 1 118 118 VAL HG12 H 1 0.900 0.02 . 1 . . . . A 118 VAL HG12 . 30611 1 404 . 1 . 1 118 118 VAL HG13 H 1 0.900 0.02 . 1 . . . . A 118 VAL HG13 . 30611 1 405 . 1 . 1 118 118 VAL HG21 H 1 0.900 0.02 . 1 . . . . A 118 VAL HG21 . 30611 1 406 . 1 . 1 118 118 VAL HG22 H 1 0.900 0.02 . 1 . . . . A 118 VAL HG22 . 30611 1 407 . 1 . 1 118 118 VAL HG23 H 1 0.900 0.02 . 1 . . . . A 118 VAL HG23 . 30611 1 408 . 1 . 1 118 118 VAL CA C 13 58.200 0.20 . 1 . . . . A 118 VAL CA . 30611 1 409 . 1 . 1 118 118 VAL N N 15 130.158 0.20 . 1 . . . . A 118 VAL N . 30611 1 410 . 1 . 1 119 119 ILE H H 1 8.117 0.02 . 1 . . . . A 119 ILE H . 30611 1 411 . 1 . 1 119 119 ILE HA H 1 4.334 0.02 . 1 . . . . A 119 ILE HA . 30611 1 412 . 1 . 1 119 119 ILE HB H 1 1.880 0.02 . 1 . . . . A 119 ILE HB . 30611 1 413 . 1 . 1 119 119 ILE HG12 H 1 1.320 0.02 . 2 . . . . A 119 ILE HG12 . 30611 1 414 . 1 . 1 119 119 ILE HG13 H 1 1.040 0.02 . 2 . . . . A 119 ILE HG13 . 30611 1 415 . 1 . 1 119 119 ILE HG21 H 1 0.912 0.02 . 1 . . . . A 119 ILE HG21 . 30611 1 416 . 1 . 1 119 119 ILE HG22 H 1 0.912 0.02 . 1 . . . . A 119 ILE HG22 . 30611 1 417 . 1 . 1 119 119 ILE HG23 H 1 0.912 0.02 . 1 . . . . A 119 ILE HG23 . 30611 1 418 . 1 . 1 119 119 ILE HD11 H 1 0.825 0.02 . 1 . . . . A 119 ILE HD11 . 30611 1 419 . 1 . 1 119 119 ILE HD12 H 1 0.825 0.02 . 1 . . . . A 119 ILE HD12 . 30611 1 420 . 1 . 1 119 119 ILE HD13 H 1 0.825 0.02 . 1 . . . . A 119 ILE HD13 . 30611 1 421 . 1 . 1 119 119 ILE CA C 13 62.500 0.20 . 1 . . . . A 119 ILE CA . 30611 1 422 . 1 . 1 119 119 ILE CB C 13 41.802 0.20 . 1 . . . . A 119 ILE CB . 30611 1 423 . 1 . 1 119 119 ILE N N 15 124.303 0.20 . 1 . . . . A 119 ILE N . 30611 1 424 . 1 . 1 120 120 ALA H H 1 8.881 0.02 . 1 . . . . A 120 ALA H . 30611 1 425 . 1 . 1 120 120 ALA HA H 1 4.170 0.02 . 1 . . . . A 120 ALA HA . 30611 1 426 . 1 . 1 120 120 ALA HB1 H 1 1.400 0.02 . 1 . . . . A 120 ALA HB1 . 30611 1 427 . 1 . 1 120 120 ALA HB2 H 1 1.400 0.02 . 1 . . . . A 120 ALA HB2 . 30611 1 428 . 1 . 1 120 120 ALA HB3 H 1 1.400 0.02 . 1 . . . . A 120 ALA HB3 . 30611 1 429 . 1 . 1 120 120 ALA CA C 13 52.538 0.20 . 1 . . . . A 120 ALA CA . 30611 1 430 . 1 . 1 120 120 ALA CB C 13 18.200 0.20 . 1 . . . . A 120 ALA CB . 30611 1 431 . 1 . 1 120 120 ALA N N 15 120.071 0.20 . 1 . . . . A 120 ALA N . 30611 1 432 . 1 . 1 121 121 ARG H H 1 8.266 0.02 . 1 . . . . A 121 ARG H . 30611 1 433 . 1 . 1 121 121 ARG HA H 1 4.468 0.02 . 1 . . . . A 121 ARG HA . 30611 1 434 . 1 . 1 121 121 ARG HB2 H 1 1.800 0.02 . 2 . . . . A 121 ARG HB2 . 30611 1 435 . 1 . 1 121 121 ARG HB3 H 1 1.940 0.02 . 2 . . . . A 121 ARG HB3 . 30611 1 436 . 1 . 1 121 121 ARG HG2 H 1 1.630 0.02 . 2 . . . . A 121 ARG HG2 . 30611 1 437 . 1 . 1 121 121 ARG HG3 H 1 1.610 0.02 . 2 . . . . A 121 ARG HG3 . 30611 1 438 . 1 . 1 121 121 ARG HD2 H 1 3.062 0.02 . 2 . . . . A 121 ARG HD2 . 30611 1 439 . 1 . 1 121 121 ARG HD3 H 1 3.100 0.02 . 2 . . . . A 121 ARG HD3 . 30611 1 440 . 1 . 1 121 121 ARG CB C 13 31.500 0.20 . 1 . . . . A 121 ARG CB . 30611 1 441 . 1 . 1 121 121 ARG N N 15 123.981 0.20 . 1 . . . . A 121 ARG N . 30611 1 442 . 1 . 1 122 122 THR H H 1 8.328 0.02 . 1 . . . . A 122 THR H . 30611 1 443 . 1 . 1 122 122 THR HA H 1 4.330 0.02 . 1 . . . . A 122 THR HA . 30611 1 444 . 1 . 1 122 122 THR HB H 1 4.110 0.02 . 1 . . . . A 122 THR HB . 30611 1 445 . 1 . 1 122 122 THR HG21 H 1 1.190 0.02 . 1 . . . . A 122 THR HG21 . 30611 1 446 . 1 . 1 122 122 THR HG22 H 1 1.190 0.02 . 1 . . . . A 122 THR HG22 . 30611 1 447 . 1 . 1 122 122 THR HG23 H 1 1.190 0.02 . 1 . . . . A 122 THR HG23 . 30611 1 448 . 1 . 1 122 122 THR CA C 13 65.800 0.20 . 1 . . . . A 122 THR CA . 30611 1 449 . 1 . 1 122 122 THR N N 15 123.303 0.20 . 1 . . . . A 122 THR N . 30611 1 450 . 1 . 1 123 123 PHE H H 1 8.024 0.02 . 1 . . . . A 123 PHE H . 30611 1 451 . 1 . 1 123 123 PHE HA H 1 4.450 0.02 . 1 . . . . A 123 PHE HA . 30611 1 452 . 1 . 1 123 123 PHE HB2 H 1 3.150 0.02 . 2 . . . . A 123 PHE HB2 . 30611 1 453 . 1 . 1 123 123 PHE HB3 H 1 3.020 0.02 . 2 . . . . A 123 PHE HB3 . 30611 1 454 . 1 . 1 123 123 PHE CA C 13 55.700 0.20 . 1 . . . . A 123 PHE CA . 30611 1 455 . 1 . 1 123 123 PHE N N 15 115.825 0.20 . 1 . . . . A 123 PHE N . 30611 1 456 . 1 . 1 124 124 THR H H 1 8.243 0.02 . 1 . . . . A 124 THR H . 30611 1 457 . 1 . 1 124 124 THR HA H 1 4.730 0.02 . 1 . . . . A 124 THR HA . 30611 1 458 . 1 . 1 124 124 THR HB H 1 4.150 0.02 . 1 . . . . A 124 THR HB . 30611 1 459 . 1 . 1 124 124 THR HG21 H 1 1.181 0.02 . 1 . . . . A 124 THR HG21 . 30611 1 460 . 1 . 1 124 124 THR HG22 H 1 1.181 0.02 . 1 . . . . A 124 THR HG22 . 30611 1 461 . 1 . 1 124 124 THR HG23 H 1 1.181 0.02 . 1 . . . . A 124 THR HG23 . 30611 1 462 . 1 . 1 124 124 THR CA C 13 61.861 0.20 . 1 . . . . A 124 THR CA . 30611 1 463 . 1 . 1 124 124 THR N N 15 105.568 0.20 . 1 . . . . A 124 THR N . 30611 1 464 . 1 . 1 125 125 GLU H H 1 8.235 0.02 . 1 . . . . A 125 GLU H . 30611 1 465 . 1 . 1 125 125 GLU HA H 1 4.870 0.02 . 1 . . . . A 125 GLU HA . 30611 1 466 . 1 . 1 125 125 GLU HB2 H 1 2.042 0.02 . 2 . . . . A 125 GLU HB2 . 30611 1 467 . 1 . 1 125 125 GLU HB3 H 1 2.100 0.02 . 2 . . . . A 125 GLU HB3 . 30611 1 468 . 1 . 1 125 125 GLU HG2 H 1 2.283 0.02 . 2 . . . . A 125 GLU HG2 . 30611 1 469 . 1 . 1 125 125 GLU HG3 H 1 2.230 0.02 . 2 . . . . A 125 GLU HG3 . 30611 1 470 . 1 . 1 125 125 GLU CA C 13 59.700 0.20 . 1 . . . . A 125 GLU CA . 30611 1 471 . 1 . 1 125 125 GLU CB C 13 30.611 0.20 . 1 . . . . A 125 GLU CB . 30611 1 472 . 1 . 1 125 125 GLU N N 15 122.536 0.20 . 1 . . . . A 125 GLU N . 30611 1 473 . 1 . 1 126 126 SER H H 1 7.919 0.02 . 1 . . . . A 126 SER H . 30611 1 474 . 1 . 1 126 126 SER HA H 1 4.420 0.02 . 1 . . . . A 126 SER HA . 30611 1 475 . 1 . 1 126 126 SER HB2 H 1 3.850 0.02 . 2 . . . . A 126 SER HB2 . 30611 1 476 . 1 . 1 126 126 SER HB3 H 1 3.880 0.02 . 2 . . . . A 126 SER HB3 . 30611 1 477 . 1 . 1 126 126 SER CA C 13 56.900 0.20 . 1 . . . . A 126 SER CA . 30611 1 478 . 1 . 1 126 126 SER CB C 13 63.413 0.20 . 1 . . . . A 126 SER CB . 30611 1 479 . 1 . 1 126 126 SER N N 15 130.158 0.20 . 1 . . . . A 126 SER N . 30611 1 480 . 1 . 1 127 127 LEU H H 1 8.270 0.02 . 1 . . . . A 127 LEU H . 30611 1 481 . 1 . 1 127 127 LEU CA C 13 56.905 0.20 . 1 . . . . A 127 LEU CA . 30611 1 482 . 1 . 1 127 127 LEU N N 15 114.531 0.20 . 1 . . . . A 127 LEU N . 30611 1 stop_ save_