################################### # 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10310 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 13C-separated NOESY' 1 $sample_1 isotropic 10310 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10310 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 8 8 SER HA H 1 4.444 0.030 . 1 . . . . 8 SER HA . 10310 1 2 . 1 1 8 8 SER HB2 H 1 3.858 0.030 . 2 . . . . 8 SER HB2 . 10310 1 3 . 1 1 8 8 SER C C 13 175.110 0.300 . 1 . . . . 8 SER C . 10310 1 4 . 1 1 8 8 SER CA C 13 58.513 0.300 . 1 . . . . 8 SER CA . 10310 1 5 . 1 1 8 8 SER CB C 13 63.916 0.300 . 1 . . . . 8 SER CB . 10310 1 6 . 1 1 9 9 GLY H H 1 8.484 0.030 . 1 . . . . 9 GLY H . 10310 1 7 . 1 1 9 9 GLY HA2 H 1 3.965 0.030 . 1 . . . . 9 GLY HA2 . 10310 1 8 . 1 1 9 9 GLY HA3 H 1 3.965 0.030 . 1 . . . . 9 GLY HA3 . 10310 1 9 . 1 1 9 9 GLY C C 13 174.065 0.300 . 1 . . . . 9 GLY C . 10310 1 10 . 1 1 9 9 GLY CA C 13 45.290 0.300 . 1 . . . . 9 GLY CA . 10310 1 11 . 1 1 9 9 GLY N N 15 110.933 0.300 . 1 . . . . 9 GLY N . 10310 1 12 . 1 1 10 10 GLU H H 1 8.058 0.030 . 1 . . . . 10 GLU H . 10310 1 13 . 1 1 10 10 GLU HA H 1 4.240 0.030 . 1 . . . . 10 GLU HA . 10310 1 14 . 1 1 10 10 GLU HB2 H 1 1.894 0.030 . 2 . . . . 10 GLU HB2 . 10310 1 15 . 1 1 10 10 GLU HB3 H 1 1.987 0.030 . 2 . . . . 10 GLU HB3 . 10310 1 16 . 1 1 10 10 GLU HG2 H 1 2.203 0.030 . 2 . . . . 10 GLU HG2 . 10310 1 17 . 1 1 10 10 GLU HG3 H 1 2.266 0.030 . 2 . . . . 10 GLU HG3 . 10310 1 18 . 1 1 10 10 GLU C C 13 176.157 0.300 . 1 . . . . 10 GLU C . 10310 1 19 . 1 1 10 10 GLU CA C 13 56.474 0.300 . 1 . . . . 10 GLU CA . 10310 1 20 . 1 1 10 10 GLU CB C 13 30.603 0.300 . 1 . . . . 10 GLU CB . 10310 1 21 . 1 1 10 10 GLU CG C 13 36.283 0.300 . 1 . . . . 10 GLU CG . 10310 1 22 . 1 1 10 10 GLU N N 15 120.522 0.300 . 1 . . . . 10 GLU N . 10310 1 23 . 1 1 11 11 LYS H H 1 8.299 0.030 . 1 . . . . 11 LYS H . 10310 1 24 . 1 1 11 11 LYS HA H 1 4.555 0.030 . 1 . . . . 11 LYS HA . 10310 1 25 . 1 1 11 11 LYS HB2 H 1 1.638 0.030 . 1 . . . . 11 LYS HB2 . 10310 1 26 . 1 1 11 11 LYS HB3 H 1 1.638 0.030 . 1 . . . . 11 LYS HB3 . 10310 1 27 . 1 1 11 11 LYS HD2 H 1 1.590 0.030 . 1 . . . . 11 LYS HD2 . 10310 1 28 . 1 1 11 11 LYS HD3 H 1 1.590 0.030 . 1 . . . . 11 LYS HD3 . 10310 1 29 . 1 1 11 11 LYS HE2 H 1 2.937 0.030 . 1 . . . . 11 LYS HE2 . 10310 1 30 . 1 1 11 11 LYS HE3 H 1 2.937 0.030 . 1 . . . . 11 LYS HE3 . 10310 1 31 . 1 1 11 11 LYS HG2 H 1 1.298 0.030 . 2 . . . . 11 LYS HG2 . 10310 1 32 . 1 1 11 11 LYS HG3 H 1 1.351 0.030 . 2 . . . . 11 LYS HG3 . 10310 1 33 . 1 1 11 11 LYS C C 13 173.965 0.300 . 1 . . . . 11 LYS C . 10310 1 34 . 1 1 11 11 LYS CA C 13 53.881 0.300 . 1 . . . . 11 LYS CA . 10310 1 35 . 1 1 11 11 LYS CB C 13 32.666 0.300 . 1 . . . . 11 LYS CB . 10310 1 36 . 1 1 11 11 LYS CD C 13 29.441 0.300 . 1 . . . . 11 LYS CD . 10310 1 37 . 1 1 11 11 LYS CE C 13 42.119 0.300 . 1 . . . . 11 LYS CE . 10310 1 38 . 1 1 11 11 LYS CG C 13 24.628 0.300 . 1 . . . . 11 LYS CG . 10310 1 39 . 1 1 11 11 LYS N N 15 122.947 0.300 . 1 . . . . 11 LYS N . 10310 1 40 . 1 1 12 12 PRO HA H 1 4.341 0.030 . 1 . . . . 12 PRO HA . 10310 1 41 . 1 1 12 12 PRO HB2 H 1 1.504 0.030 . 2 . . . . 12 PRO HB2 . 10310 1 42 . 1 1 12 12 PRO HB3 H 1 2.076 0.030 . 2 . . . . 12 PRO HB3 . 10310 1 43 . 1 1 12 12 PRO HD2 H 1 3.566 0.030 . 2 . . . . 12 PRO HD2 . 10310 1 44 . 1 1 12 12 PRO HD3 H 1 3.655 0.030 . 2 . . . . 12 PRO HD3 . 10310 1 45 . 1 1 12 12 PRO HG2 H 1 1.739 0.030 . 2 . . . . 12 PRO HG2 . 10310 1 46 . 1 1 12 12 PRO HG3 H 1 1.885 0.030 . 2 . . . . 12 PRO HG3 . 10310 1 47 . 1 1 12 12 PRO C C 13 176.434 0.300 . 1 . . . . 12 PRO C . 10310 1 48 . 1 1 12 12 PRO CA C 13 62.949 0.300 . 1 . . . . 12 PRO CA . 10310 1 49 . 1 1 12 12 PRO CB C 13 32.273 0.300 . 1 . . . . 12 PRO CB . 10310 1 50 . 1 1 12 12 PRO CD C 13 50.290 0.300 . 1 . . . . 12 PRO CD . 10310 1 51 . 1 1 12 12 PRO CG C 13 26.845 0.300 . 1 . . . . 12 PRO CG . 10310 1 52 . 1 1 13 13 TYR H H 1 8.117 0.030 . 1 . . . . 13 TYR H . 10310 1 53 . 1 1 13 13 TYR HA H 1 4.619 0.030 . 1 . . . . 13 TYR HA . 10310 1 54 . 1 1 13 13 TYR HB2 H 1 2.884 0.030 . 2 . . . . 13 TYR HB2 . 10310 1 55 . 1 1 13 13 TYR HB3 H 1 2.929 0.030 . 2 . . . . 13 TYR HB3 . 10310 1 56 . 1 1 13 13 TYR HD1 H 1 6.958 0.030 . 1 . . . . 13 TYR HD1 . 10310 1 57 . 1 1 13 13 TYR HD2 H 1 6.958 0.030 . 1 . . . . 13 TYR HD2 . 10310 1 58 . 1 1 13 13 TYR HE1 H 1 6.805 0.030 . 1 . . . . 13 TYR HE1 . 10310 1 59 . 1 1 13 13 TYR HE2 H 1 6.805 0.030 . 1 . . . . 13 TYR HE2 . 10310 1 60 . 1 1 13 13 TYR C C 13 173.970 0.300 . 1 . . . . 13 TYR C . 10310 1 61 . 1 1 13 13 TYR CA C 13 57.300 0.300 . 1 . . . . 13 TYR CA . 10310 1 62 . 1 1 13 13 TYR CB C 13 38.300 0.300 . 1 . . . . 13 TYR CB . 10310 1 63 . 1 1 13 13 TYR CD1 C 13 132.999 0.300 . 1 . . . . 13 TYR CD1 . 10310 1 64 . 1 1 13 13 TYR CD2 C 13 132.999 0.300 . 1 . . . . 13 TYR CD2 . 10310 1 65 . 1 1 13 13 TYR CE1 C 13 118.271 0.300 . 1 . . . . 13 TYR CE1 . 10310 1 66 . 1 1 13 13 TYR CE2 C 13 118.271 0.300 . 1 . . . . 13 TYR CE2 . 10310 1 67 . 1 1 13 13 TYR N N 15 119.925 0.300 . 1 . . . . 13 TYR N . 10310 1 68 . 1 1 14 14 LYS H H 1 8.390 0.030 . 1 . . . . 14 LYS H . 10310 1 69 . 1 1 14 14 LYS HA H 1 5.114 0.030 . 1 . . . . 14 LYS HA . 10310 1 70 . 1 1 14 14 LYS HB2 H 1 1.513 0.030 . 2 . . . . 14 LYS HB2 . 10310 1 71 . 1 1 14 14 LYS HB3 H 1 1.735 0.030 . 2 . . . . 14 LYS HB3 . 10310 1 72 . 1 1 14 14 LYS HD2 H 1 1.574 0.030 . 1 . . . . 14 LYS HD2 . 10310 1 73 . 1 1 14 14 LYS HD3 H 1 1.574 0.030 . 1 . . . . 14 LYS HD3 . 10310 1 74 . 1 1 14 14 LYS HE2 H 1 2.932 0.030 . 1 . . . . 14 LYS HE2 . 10310 1 75 . 1 1 14 14 LYS HE3 H 1 2.932 0.030 . 1 . . . . 14 LYS HE3 . 10310 1 76 . 1 1 14 14 LYS HG2 H 1 1.162 0.030 . 2 . . . . 14 LYS HG2 . 10310 1 77 . 1 1 14 14 LYS HG3 H 1 1.082 0.030 . 2 . . . . 14 LYS HG3 . 10310 1 78 . 1 1 14 14 LYS C C 13 175.094 0.300 . 1 . . . . 14 LYS C . 10310 1 79 . 1 1 14 14 LYS CA C 13 54.701 0.300 . 1 . . . . 14 LYS CA . 10310 1 80 . 1 1 14 14 LYS CB C 13 36.096 0.300 . 1 . . . . 14 LYS CB . 10310 1 81 . 1 1 14 14 LYS CD C 13 29.634 0.300 . 1 . . . . 14 LYS CD . 10310 1 82 . 1 1 14 14 LYS CE C 13 41.995 0.300 . 1 . . . . 14 LYS CE . 10310 1 83 . 1 1 14 14 LYS CG C 13 24.397 0.300 . 1 . . . . 14 LYS CG . 10310 1 84 . 1 1 14 14 LYS N N 15 124.755 0.300 . 1 . . . . 14 LYS N . 10310 1 85 . 1 1 15 15 CYS H H 1 9.348 0.030 . 1 . . . . 15 CYS H . 10310 1 86 . 1 1 15 15 CYS HA H 1 4.732 0.030 . 1 . . . . 15 CYS HA . 10310 1 87 . 1 1 15 15 CYS HB2 H 1 2.842 0.030 . 2 . . . . 15 CYS HB2 . 10310 1 88 . 1 1 15 15 CYS HB3 H 1 3.364 0.030 . 2 . . . . 15 CYS HB3 . 10310 1 89 . 1 1 15 15 CYS C C 13 177.332 0.300 . 1 . . . . 15 CYS C . 10310 1 90 . 1 1 15 15 CYS CA C 13 59.636 0.300 . 1 . . . . 15 CYS CA . 10310 1 91 . 1 1 15 15 CYS CB C 13 29.852 0.300 . 1 . . . . 15 CYS CB . 10310 1 92 . 1 1 15 15 CYS N N 15 128.093 0.300 . 1 . . . . 15 CYS N . 10310 1 93 . 1 1 16 16 ASN H H 1 9.557 0.030 . 1 . . . . 16 ASN H . 10310 1 94 . 1 1 16 16 ASN HA H 1 4.592 0.030 . 1 . . . . 16 ASN HA . 10310 1 95 . 1 1 16 16 ASN HB2 H 1 2.954 0.030 . 1 . . . . 16 ASN HB2 . 10310 1 96 . 1 1 16 16 ASN HB3 H 1 2.954 0.030 . 1 . . . . 16 ASN HB3 . 10310 1 97 . 1 1 16 16 ASN HD21 H 1 6.999 0.030 . 2 . . . . 16 ASN HD21 . 10310 1 98 . 1 1 16 16 ASN HD22 H 1 7.733 0.030 . 2 . . . . 16 ASN HD22 . 10310 1 99 . 1 1 16 16 ASN C C 13 175.464 0.300 . 1 . . . . 16 ASN C . 10310 1 100 . 1 1 16 16 ASN CA C 13 55.596 0.300 . 1 . . . . 16 ASN CA . 10310 1 101 . 1 1 16 16 ASN CB C 13 38.725 0.300 . 1 . . . . 16 ASN CB . 10310 1 102 . 1 1 16 16 ASN N N 15 130.352 0.300 . 1 . . . . 16 ASN N . 10310 1 103 . 1 1 16 16 ASN ND2 N 15 113.287 0.300 . 1 . . . . 16 ASN ND2 . 10310 1 104 . 1 1 17 17 GLU H H 1 8.937 0.030 . 1 . . . . 17 GLU H . 10310 1 105 . 1 1 17 17 GLU HA H 1 4.294 0.030 . 1 . . . . 17 GLU HA . 10310 1 106 . 1 1 17 17 GLU HB2 H 1 1.226 0.030 . 2 . . . . 17 GLU HB2 . 10310 1 107 . 1 1 17 17 GLU HB3 H 1 1.481 0.030 . 2 . . . . 17 GLU HB3 . 10310 1 108 . 1 1 17 17 GLU HG2 H 1 1.691 0.030 . 2 . . . . 17 GLU HG2 . 10310 1 109 . 1 1 17 17 GLU HG3 H 1 1.763 0.030 . 2 . . . . 17 GLU HG3 . 10310 1 110 . 1 1 17 17 GLU C C 13 177.084 0.300 . 1 . . . . 17 GLU C . 10310 1 111 . 1 1 17 17 GLU CA C 13 58.294 0.300 . 1 . . . . 17 GLU CA . 10310 1 112 . 1 1 17 17 GLU CB C 13 29.684 0.300 . 1 . . . . 17 GLU CB . 10310 1 113 . 1 1 17 17 GLU CG C 13 35.275 0.300 . 1 . . . . 17 GLU CG . 10310 1 114 . 1 1 17 17 GLU N N 15 121.424 0.300 . 1 . . . . 17 GLU N . 10310 1 115 . 1 1 18 18 CYS H H 1 8.120 0.030 . 1 . . . . 18 CYS H . 10310 1 116 . 1 1 18 18 CYS HA H 1 5.181 0.030 . 1 . . . . 18 CYS HA . 10310 1 117 . 1 1 18 18 CYS HB2 H 1 2.876 0.030 . 2 . . . . 18 CYS HB2 . 10310 1 118 . 1 1 18 18 CYS HB3 H 1 3.434 0.030 . 2 . . . . 18 CYS HB3 . 10310 1 119 . 1 1 18 18 CYS C C 13 176.445 0.300 . 1 . . . . 18 CYS C . 10310 1 120 . 1 1 18 18 CYS CA C 13 58.394 0.300 . 1 . . . . 18 CYS CA . 10310 1 121 . 1 1 18 18 CYS CB C 13 32.388 0.300 . 1 . . . . 18 CYS CB . 10310 1 122 . 1 1 18 18 CYS N N 15 115.084 0.300 . 1 . . . . 18 CYS N . 10310 1 123 . 1 1 19 19 GLY H H 1 8.181 0.030 . 1 . . . . 19 GLY H . 10310 1 124 . 1 1 19 19 GLY HA2 H 1 3.759 0.030 . 2 . . . . 19 GLY HA2 . 10310 1 125 . 1 1 19 19 GLY HA3 H 1 4.238 0.030 . 2 . . . . 19 GLY HA3 . 10310 1 126 . 1 1 19 19 GLY C C 13 173.528 0.300 . 1 . . . . 19 GLY C . 10310 1 127 . 1 1 19 19 GLY CA C 13 46.275 0.300 . 1 . . . . 19 GLY CA . 10310 1 128 . 1 1 19 19 GLY N N 15 113.584 0.300 . 1 . . . . 19 GLY N . 10310 1 129 . 1 1 20 20 LYS H H 1 7.862 0.030 . 1 . . . . 20 LYS H . 10310 1 130 . 1 1 20 20 LYS HA H 1 3.979 0.030 . 1 . . . . 20 LYS HA . 10310 1 131 . 1 1 20 20 LYS HB2 H 1 1.186 0.030 . 2 . . . . 20 LYS HB2 . 10310 1 132 . 1 1 20 20 LYS HB3 H 1 1.393 0.030 . 2 . . . . 20 LYS HB3 . 10310 1 133 . 1 1 20 20 LYS HD2 H 1 1.457 0.030 . 2 . . . . 20 LYS HD2 . 10310 1 134 . 1 1 20 20 LYS HD3 H 1 1.523 0.030 . 2 . . . . 20 LYS HD3 . 10310 1 135 . 1 1 20 20 LYS HE2 H 1 2.919 0.030 . 1 . . . . 20 LYS HE2 . 10310 1 136 . 1 1 20 20 LYS HE3 H 1 2.919 0.030 . 1 . . . . 20 LYS HE3 . 10310 1 137 . 1 1 20 20 LYS HG2 H 1 1.045 0.030 . 2 . . . . 20 LYS HG2 . 10310 1 138 . 1 1 20 20 LYS HG3 H 1 1.445 0.030 . 2 . . . . 20 LYS HG3 . 10310 1 139 . 1 1 20 20 LYS C C 13 174.183 0.300 . 1 . . . . 20 LYS C . 10310 1 140 . 1 1 20 20 LYS CA C 13 58.247 0.300 . 1 . . . . 20 LYS CA . 10310 1 141 . 1 1 20 20 LYS CB C 13 33.774 0.300 . 1 . . . . 20 LYS CB . 10310 1 142 . 1 1 20 20 LYS CD C 13 29.308 0.300 . 1 . . . . 20 LYS CD . 10310 1 143 . 1 1 20 20 LYS CE C 13 42.117 0.300 . 1 . . . . 20 LYS CE . 10310 1 144 . 1 1 20 20 LYS CG C 13 26.413 0.300 . 1 . . . . 20 LYS CG . 10310 1 145 . 1 1 20 20 LYS N N 15 122.641 0.300 . 1 . . . . 20 LYS N . 10310 1 146 . 1 1 21 21 VAL H H 1 7.601 0.030 . 1 . . . . 21 VAL H . 10310 1 147 . 1 1 21 21 VAL HA H 1 4.752 0.030 . 1 . . . . 21 VAL HA . 10310 1 148 . 1 1 21 21 VAL HB H 1 1.853 0.030 . 1 . . . . 21 VAL HB . 10310 1 149 . 1 1 21 21 VAL HG11 H 1 0.840 0.030 . 1 . . . . 21 VAL HG1 . 10310 1 150 . 1 1 21 21 VAL HG12 H 1 0.840 0.030 . 1 . . . . 21 VAL HG1 . 10310 1 151 . 1 1 21 21 VAL HG13 H 1 0.840 0.030 . 1 . . . . 21 VAL HG1 . 10310 1 152 . 1 1 21 21 VAL HG21 H 1 0.831 0.030 . 1 . . . . 21 VAL HG2 . 10310 1 153 . 1 1 21 21 VAL HG22 H 1 0.831 0.030 . 1 . . . . 21 VAL HG2 . 10310 1 154 . 1 1 21 21 VAL HG23 H 1 0.831 0.030 . 1 . . . . 21 VAL HG2 . 10310 1 155 . 1 1 21 21 VAL C C 13 175.231 0.300 . 1 . . . . 21 VAL C . 10310 1 156 . 1 1 21 21 VAL CA C 13 60.513 0.300 . 1 . . . . 21 VAL CA . 10310 1 157 . 1 1 21 21 VAL CB C 13 33.979 0.300 . 1 . . . . 21 VAL CB . 10310 1 158 . 1 1 21 21 VAL CG1 C 13 21.946 0.300 . 2 . . . . 21 VAL CG1 . 10310 1 159 . 1 1 21 21 VAL CG2 C 13 20.446 0.300 . 2 . . . . 21 VAL CG2 . 10310 1 160 . 1 1 21 21 VAL N N 15 117.405 0.300 . 1 . . . . 21 VAL N . 10310 1 161 . 1 1 22 22 PHE H H 1 8.780 0.030 . 1 . . . . 22 PHE H . 10310 1 162 . 1 1 22 22 PHE HA H 1 4.933 0.030 . 1 . . . . 22 PHE HA . 10310 1 163 . 1 1 22 22 PHE HB2 H 1 3.540 0.030 . 2 . . . . 22 PHE HB2 . 10310 1 164 . 1 1 22 22 PHE HB3 H 1 2.743 0.030 . 2 . . . . 22 PHE HB3 . 10310 1 165 . 1 1 22 22 PHE HD1 H 1 7.273 0.030 . 1 . . . . 22 PHE HD1 . 10310 1 166 . 1 1 22 22 PHE HD2 H 1 7.273 0.030 . 1 . . . . 22 PHE HD2 . 10310 1 167 . 1 1 22 22 PHE HE1 H 1 6.838 0.030 . 1 . . . . 22 PHE HE1 . 10310 1 168 . 1 1 22 22 PHE HE2 H 1 6.838 0.030 . 1 . . . . 22 PHE HE2 . 10310 1 169 . 1 1 22 22 PHE HZ H 1 6.167 0.030 . 1 . . . . 22 PHE HZ . 10310 1 170 . 1 1 22 22 PHE C C 13 175.647 0.300 . 1 . . . . 22 PHE C . 10310 1 171 . 1 1 22 22 PHE CA C 13 56.826 0.300 . 1 . . . . 22 PHE CA . 10310 1 172 . 1 1 22 22 PHE CB C 13 43.595 0.300 . 1 . . . . 22 PHE CB . 10310 1 173 . 1 1 22 22 PHE CD1 C 13 132.475 0.300 . 1 . . . . 22 PHE CD1 . 10310 1 174 . 1 1 22 22 PHE CD2 C 13 132.475 0.300 . 1 . . . . 22 PHE CD2 . 10310 1 175 . 1 1 22 22 PHE CE1 C 13 130.625 0.300 . 1 . . . . 22 PHE CE1 . 10310 1 176 . 1 1 22 22 PHE CE2 C 13 130.625 0.300 . 1 . . . . 22 PHE CE2 . 10310 1 177 . 1 1 22 22 PHE CZ C 13 128.699 0.300 . 1 . . . . 22 PHE CZ . 10310 1 178 . 1 1 22 22 PHE N N 15 121.626 0.300 . 1 . . . . 22 PHE N . 10310 1 179 . 1 1 23 23 THR H H 1 9.541 0.030 . 1 . . . . 23 THR H . 10310 1 180 . 1 1 23 23 THR HA H 1 4.590 0.030 . 1 . . . . 23 THR HA . 10310 1 181 . 1 1 23 23 THR HB H 1 4.497 0.030 . 1 . . . . 23 THR HB . 10310 1 182 . 1 1 23 23 THR HG21 H 1 1.347 0.030 . 1 . . . . 23 THR HG2 . 10310 1 183 . 1 1 23 23 THR HG22 H 1 1.347 0.030 . 1 . . . . 23 THR HG2 . 10310 1 184 . 1 1 23 23 THR HG23 H 1 1.347 0.030 . 1 . . . . 23 THR HG2 . 10310 1 185 . 1 1 23 23 THR C C 13 174.850 0.300 . 1 . . . . 23 THR C . 10310 1 186 . 1 1 23 23 THR CA C 13 63.151 0.300 . 1 . . . . 23 THR CA . 10310 1 187 . 1 1 23 23 THR CB C 13 69.768 0.300 . 1 . . . . 23 THR CB . 10310 1 188 . 1 1 23 23 THR CG2 C 13 22.361 0.300 . 1 . . . . 23 THR CG2 . 10310 1 189 . 1 1 23 23 THR N N 15 111.100 0.300 . 1 . . . . 23 THR N . 10310 1 190 . 1 1 24 24 GLN H H 1 7.089 0.030 . 1 . . . . 24 GLN H . 10310 1 191 . 1 1 24 24 GLN HA H 1 4.509 0.030 . 1 . . . . 24 GLN HA . 10310 1 192 . 1 1 24 24 GLN HB2 H 1 1.893 0.030 . 2 . . . . 24 GLN HB2 . 10310 1 193 . 1 1 24 24 GLN HB3 H 1 0.925 0.030 . 2 . . . . 24 GLN HB3 . 10310 1 194 . 1 1 24 24 GLN HE21 H 1 6.826 0.030 . 2 . . . . 24 GLN HE21 . 10310 1 195 . 1 1 24 24 GLN HE22 H 1 7.313 0.030 . 2 . . . . 24 GLN HE22 . 10310 1 196 . 1 1 24 24 GLN HG2 H 1 2.028 0.030 . 2 . . . . 24 GLN HG2 . 10310 1 197 . 1 1 24 24 GLN HG3 H 1 2.105 0.030 . 2 . . . . 24 GLN HG3 . 10310 1 198 . 1 1 24 24 GLN C C 13 175.706 0.300 . 1 . . . . 24 GLN C . 10310 1 199 . 1 1 24 24 GLN CA C 13 53.994 0.300 . 1 . . . . 24 GLN CA . 10310 1 200 . 1 1 24 24 GLN CB C 13 31.796 0.300 . 1 . . . . 24 GLN CB . 10310 1 201 . 1 1 24 24 GLN CG C 13 33.246 0.300 . 1 . . . . 24 GLN CG . 10310 1 202 . 1 1 24 24 GLN N N 15 115.697 0.300 . 1 . . . . 24 GLN N . 10310 1 203 . 1 1 24 24 GLN NE2 N 15 111.924 0.300 . 1 . . . . 24 GLN NE2 . 10310 1 204 . 1 1 25 25 ASN HA H 1 3.532 0.030 . 1 . . . . 25 ASN HA . 10310 1 205 . 1 1 25 25 ASN HB2 H 1 2.450 0.030 . 2 . . . . 25 ASN HB2 . 10310 1 206 . 1 1 25 25 ASN HB3 H 1 2.223 0.030 . 2 . . . . 25 ASN HB3 . 10310 1 207 . 1 1 25 25 ASN HD21 H 1 6.766 0.030 . 2 . . . . 25 ASN HD21 . 10310 1 208 . 1 1 25 25 ASN HD22 H 1 7.263 0.030 . 2 . . . . 25 ASN HD22 . 10310 1 209 . 1 1 25 25 ASN CA C 13 56.253 0.300 . 1 . . . . 25 ASN CA . 10310 1 210 . 1 1 25 25 ASN CB C 13 38.481 0.300 . 1 . . . . 25 ASN CB . 10310 1 211 . 1 1 25 25 ASN ND2 N 15 112.473 0.300 . 1 . . . . 25 ASN ND2 . 10310 1 212 . 1 1 26 26 SER HA H 1 4.036 0.030 . 1 . . . . 26 SER HA . 10310 1 213 . 1 1 26 26 SER HB2 H 1 3.811 0.030 . 1 . . . . 26 SER HB2 . 10310 1 214 . 1 1 26 26 SER HB3 H 1 3.811 0.030 . 1 . . . . 26 SER HB3 . 10310 1 215 . 1 1 26 26 SER C C 13 176.553 0.300 . 1 . . . . 26 SER C . 10310 1 216 . 1 1 26 26 SER CA C 13 60.832 0.300 . 1 . . . . 26 SER CA . 10310 1 217 . 1 1 26 26 SER CB C 13 61.640 0.300 . 1 . . . . 26 SER CB . 10310 1 218 . 1 1 27 27 HIS H H 1 6.699 0.030 . 1 . . . . 27 HIS H . 10310 1 219 . 1 1 27 27 HIS HA H 1 4.463 0.030 . 1 . . . . 27 HIS HA . 10310 1 220 . 1 1 27 27 HIS HB2 H 1 3.197 0.030 . 2 . . . . 27 HIS HB2 . 10310 1 221 . 1 1 27 27 HIS HB3 H 1 3.274 0.030 . 2 . . . . 27 HIS HB3 . 10310 1 222 . 1 1 27 27 HIS HD2 H 1 6.910 0.030 . 1 . . . . 27 HIS HD2 . 10310 1 223 . 1 1 27 27 HIS HE1 H 1 7.737 0.030 . 1 . . . . 27 HIS HE1 . 10310 1 224 . 1 1 27 27 HIS C C 13 178.263 0.300 . 1 . . . . 27 HIS C . 10310 1 225 . 1 1 27 27 HIS CA C 13 56.826 0.300 . 1 . . . . 27 HIS CA . 10310 1 226 . 1 1 27 27 HIS CB C 13 31.723 0.300 . 1 . . . . 27 HIS CB . 10310 1 227 . 1 1 27 27 HIS CD2 C 13 116.696 0.300 . 1 . . . . 27 HIS CD2 . 10310 1 228 . 1 1 27 27 HIS CE1 C 13 139.184 0.300 . 1 . . . . 27 HIS CE1 . 10310 1 229 . 1 1 27 27 HIS N N 15 120.689 0.300 . 1 . . . . 27 HIS N . 10310 1 230 . 1 1 28 28 LEU H H 1 6.930 0.030 . 1 . . . . 28 LEU H . 10310 1 231 . 1 1 28 28 LEU HA H 1 3.228 0.030 . 1 . . . . 28 LEU HA . 10310 1 232 . 1 1 28 28 LEU HB2 H 1 1.977 0.030 . 2 . . . . 28 LEU HB2 . 10310 1 233 . 1 1 28 28 LEU HB3 H 1 1.136 0.030 . 2 . . . . 28 LEU HB3 . 10310 1 234 . 1 1 28 28 LEU HD11 H 1 0.978 0.030 . 1 . . . . 28 LEU HD1 . 10310 1 235 . 1 1 28 28 LEU HD12 H 1 0.978 0.030 . 1 . . . . 28 LEU HD1 . 10310 1 236 . 1 1 28 28 LEU HD13 H 1 0.978 0.030 . 1 . . . . 28 LEU HD1 . 10310 1 237 . 1 1 28 28 LEU HD21 H 1 1.027 0.030 . 1 . . . . 28 LEU HD2 . 10310 1 238 . 1 1 28 28 LEU HD22 H 1 1.027 0.030 . 1 . . . . 28 LEU HD2 . 10310 1 239 . 1 1 28 28 LEU HD23 H 1 1.027 0.030 . 1 . . . . 28 LEU HD2 . 10310 1 240 . 1 1 28 28 LEU HG H 1 1.248 0.030 . 1 . . . . 28 LEU HG . 10310 1 241 . 1 1 28 28 LEU C C 13 177.108 0.300 . 1 . . . . 28 LEU C . 10310 1 242 . 1 1 28 28 LEU CA C 13 57.759 0.300 . 1 . . . . 28 LEU CA . 10310 1 243 . 1 1 28 28 LEU CB C 13 40.566 0.300 . 1 . . . . 28 LEU CB . 10310 1 244 . 1 1 28 28 LEU CD1 C 13 22.779 0.300 . 2 . . . . 28 LEU CD1 . 10310 1 245 . 1 1 28 28 LEU CD2 C 13 26.538 0.300 . 2 . . . . 28 LEU CD2 . 10310 1 246 . 1 1 28 28 LEU CG C 13 27.253 0.300 . 1 . . . . 28 LEU CG . 10310 1 247 . 1 1 28 28 LEU N N 15 122.058 0.300 . 1 . . . . 28 LEU N . 10310 1 248 . 1 1 29 29 THR H H 1 8.277 0.030 . 1 . . . . 29 THR H . 10310 1 249 . 1 1 29 29 THR HA H 1 3.617 0.030 . 1 . . . . 29 THR HA . 10310 1 250 . 1 1 29 29 THR HB H 1 4.072 0.030 . 1 . . . . 29 THR HB . 10310 1 251 . 1 1 29 29 THR HG21 H 1 1.100 0.030 . 1 . . . . 29 THR HG2 . 10310 1 252 . 1 1 29 29 THR HG22 H 1 1.100 0.030 . 1 . . . . 29 THR HG2 . 10310 1 253 . 1 1 29 29 THR HG23 H 1 1.100 0.030 . 1 . . . . 29 THR HG2 . 10310 1 254 . 1 1 29 29 THR C C 13 177.089 0.300 . 1 . . . . 29 THR C . 10310 1 255 . 1 1 29 29 THR CA C 13 66.044 0.300 . 1 . . . . 29 THR CA . 10310 1 256 . 1 1 29 29 THR CB C 13 68.287 0.300 . 1 . . . . 29 THR CB . 10310 1 257 . 1 1 29 29 THR CG2 C 13 21.759 0.300 . 1 . . . . 29 THR CG2 . 10310 1 258 . 1 1 29 29 THR N N 15 114.375 0.300 . 1 . . . . 29 THR N . 10310 1 259 . 1 1 30 30 ASN H H 1 7.688 0.030 . 1 . . . . 30 ASN H . 10310 1 260 . 1 1 30 30 ASN HA H 1 4.434 0.030 . 1 . . . . 30 ASN HA . 10310 1 261 . 1 1 30 30 ASN HB2 H 1 2.727 0.030 . 2 . . . . 30 ASN HB2 . 10310 1 262 . 1 1 30 30 ASN HB3 H 1 2.776 0.030 . 2 . . . . 30 ASN HB3 . 10310 1 263 . 1 1 30 30 ASN HD21 H 1 7.700 0.030 . 2 . . . . 30 ASN HD21 . 10310 1 264 . 1 1 30 30 ASN HD22 H 1 6.961 0.030 . 2 . . . . 30 ASN HD22 . 10310 1 265 . 1 1 30 30 ASN C C 13 177.425 0.300 . 1 . . . . 30 ASN C . 10310 1 266 . 1 1 30 30 ASN CA C 13 56.047 0.300 . 1 . . . . 30 ASN CA . 10310 1 267 . 1 1 30 30 ASN CB C 13 38.554 0.300 . 1 . . . . 30 ASN CB . 10310 1 268 . 1 1 30 30 ASN N N 15 118.698 0.300 . 1 . . . . 30 ASN N . 10310 1 269 . 1 1 30 30 ASN ND2 N 15 113.369 0.300 . 1 . . . . 30 ASN ND2 . 10310 1 270 . 1 1 31 31 HIS H H 1 7.694 0.030 . 1 . . . . 31 HIS H . 10310 1 271 . 1 1 31 31 HIS HA H 1 4.195 0.030 . 1 . . . . 31 HIS HA . 10310 1 272 . 1 1 31 31 HIS HB2 H 1 2.854 0.030 . 2 . . . . 31 HIS HB2 . 10310 1 273 . 1 1 31 31 HIS HB3 H 1 3.228 0.030 . 2 . . . . 31 HIS HB3 . 10310 1 274 . 1 1 31 31 HIS HD2 H 1 7.018 0.030 . 1 . . . . 31 HIS HD2 . 10310 1 275 . 1 1 31 31 HIS HE1 H 1 8.006 0.030 . 1 . . . . 31 HIS HE1 . 10310 1 276 . 1 1 31 31 HIS C C 13 175.857 0.300 . 1 . . . . 31 HIS C . 10310 1 277 . 1 1 31 31 HIS CA C 13 59.180 0.300 . 1 . . . . 31 HIS CA . 10310 1 278 . 1 1 31 31 HIS CB C 13 28.494 0.300 . 1 . . . . 31 HIS CB . 10310 1 279 . 1 1 31 31 HIS CD2 C 13 127.265 0.300 . 1 . . . . 31 HIS CD2 . 10310 1 280 . 1 1 31 31 HIS CE1 C 13 139.421 0.300 . 1 . . . . 31 HIS CE1 . 10310 1 281 . 1 1 31 31 HIS N N 15 120.687 0.300 . 1 . . . . 31 HIS N . 10310 1 282 . 1 1 32 32 TRP H H 1 8.340 0.030 . 1 . . . . 32 TRP H . 10310 1 283 . 1 1 32 32 TRP HA H 1 4.163 0.030 . 1 . . . . 32 TRP HA . 10310 1 284 . 1 1 32 32 TRP HB2 H 1 3.383 0.030 . 2 . . . . 32 TRP HB2 . 10310 1 285 . 1 1 32 32 TRP HB3 H 1 3.506 0.030 . 2 . . . . 32 TRP HB3 . 10310 1 286 . 1 1 32 32 TRP HD1 H 1 7.485 0.030 . 1 . . . . 32 TRP HD1 . 10310 1 287 . 1 1 32 32 TRP HE1 H 1 10.200 0.030 . 1 . . . . 32 TRP HE1 . 10310 1 288 . 1 1 32 32 TRP HE3 H 1 7.827 0.030 . 1 . . . . 32 TRP HE3 . 10310 1 289 . 1 1 32 32 TRP HH2 H 1 7.287 0.030 . 1 . . . . 32 TRP HH2 . 10310 1 290 . 1 1 32 32 TRP HZ2 H 1 7.605 0.030 . 1 . . . . 32 TRP HZ2 . 10310 1 291 . 1 1 32 32 TRP HZ3 H 1 7.205 0.030 . 1 . . . . 32 TRP HZ3 . 10310 1 292 . 1 1 32 32 TRP C C 13 177.464 0.300 . 1 . . . . 32 TRP C . 10310 1 293 . 1 1 32 32 TRP CA C 13 60.247 0.300 . 1 . . . . 32 TRP CA . 10310 1 294 . 1 1 32 32 TRP CB C 13 29.409 0.300 . 1 . . . . 32 TRP CB . 10310 1 295 . 1 1 32 32 TRP CD1 C 13 125.785 0.300 . 1 . . . . 32 TRP CD1 . 10310 1 296 . 1 1 32 32 TRP CE3 C 13 121.036 0.300 . 1 . . . . 32 TRP CE3 . 10310 1 297 . 1 1 32 32 TRP CH2 C 13 124.804 0.300 . 1 . . . . 32 TRP CH2 . 10310 1 298 . 1 1 32 32 TRP CZ2 C 13 114.765 0.300 . 1 . . . . 32 TRP CZ2 . 10310 1 299 . 1 1 32 32 TRP CZ3 C 13 122.217 0.300 . 1 . . . . 32 TRP CZ3 . 10310 1 300 . 1 1 32 32 TRP N N 15 117.647 0.300 . 1 . . . . 32 TRP N . 10310 1 301 . 1 1 32 32 TRP NE1 N 15 128.707 0.300 . 1 . . . . 32 TRP NE1 . 10310 1 302 . 1 1 33 33 ARG H H 1 7.177 0.030 . 1 . . . . 33 ARG H . 10310 1 303 . 1 1 33 33 ARG HA H 1 4.137 0.030 . 1 . . . . 33 ARG HA . 10310 1 304 . 1 1 33 33 ARG HB2 H 1 1.807 0.030 . 2 . . . . 33 ARG HB2 . 10310 1 305 . 1 1 33 33 ARG HB3 H 1 1.872 0.030 . 2 . . . . 33 ARG HB3 . 10310 1 306 . 1 1 33 33 ARG HD2 H 1 3.231 0.030 . 2 . . . . 33 ARG HD2 . 10310 1 307 . 1 1 33 33 ARG HG2 H 1 1.664 0.030 . 2 . . . . 33 ARG HG2 . 10310 1 308 . 1 1 33 33 ARG HG3 H 1 1.820 0.030 . 2 . . . . 33 ARG HG3 . 10310 1 309 . 1 1 33 33 ARG C C 13 178.669 0.300 . 1 . . . . 33 ARG C . 10310 1 310 . 1 1 33 33 ARG CA C 13 58.622 0.300 . 1 . . . . 33 ARG CA . 10310 1 311 . 1 1 33 33 ARG CB C 13 30.006 0.300 . 1 . . . . 33 ARG CB . 10310 1 312 . 1 1 33 33 ARG CD C 13 43.504 0.300 . 1 . . . . 33 ARG CD . 10310 1 313 . 1 1 33 33 ARG CG C 13 27.755 0.300 . 1 . . . . 33 ARG CG . 10310 1 314 . 1 1 33 33 ARG N N 15 115.583 0.300 . 1 . . . . 33 ARG N . 10310 1 315 . 1 1 34 34 ILE H H 1 7.914 0.030 . 1 . . . . 34 ILE H . 10310 1 316 . 1 1 34 34 ILE HA H 1 3.953 0.030 . 1 . . . . 34 ILE HA . 10310 1 317 . 1 1 34 34 ILE HB H 1 1.623 0.030 . 1 . . . . 34 ILE HB . 10310 1 318 . 1 1 34 34 ILE HD11 H 1 0.686 0.030 . 1 . . . . 34 ILE HD1 . 10310 1 319 . 1 1 34 34 ILE HD12 H 1 0.686 0.030 . 1 . . . . 34 ILE HD1 . 10310 1 320 . 1 1 34 34 ILE HD13 H 1 0.686 0.030 . 1 . . . . 34 ILE HD1 . 10310 1 321 . 1 1 34 34 ILE HG12 H 1 0.933 0.030 . 2 . . . . 34 ILE HG12 . 10310 1 322 . 1 1 34 34 ILE HG13 H 1 0.768 0.030 . 2 . . . . 34 ILE HG13 . 10310 1 323 . 1 1 34 34 ILE HG21 H 1 0.537 0.030 . 1 . . . . 34 ILE HG2 . 10310 1 324 . 1 1 34 34 ILE HG22 H 1 0.537 0.030 . 1 . . . . 34 ILE HG2 . 10310 1 325 . 1 1 34 34 ILE HG23 H 1 0.537 0.030 . 1 . . . . 34 ILE HG2 . 10310 1 326 . 1 1 34 34 ILE C C 13 177.477 0.300 . 1 . . . . 34 ILE C . 10310 1 327 . 1 1 34 34 ILE CA C 13 63.032 0.300 . 1 . . . . 34 ILE CA . 10310 1 328 . 1 1 34 34 ILE CB C 13 37.604 0.300 . 1 . . . . 34 ILE CB . 10310 1 329 . 1 1 34 34 ILE CD1 C 13 14.241 0.300 . 1 . . . . 34 ILE CD1 . 10310 1 330 . 1 1 34 34 ILE CG1 C 13 26.934 0.300 . 1 . . . . 34 ILE CG1 . 10310 1 331 . 1 1 34 34 ILE CG2 C 13 16.594 0.300 . 1 . . . . 34 ILE CG2 . 10310 1 332 . 1 1 34 34 ILE N N 15 116.843 0.300 . 1 . . . . 34 ILE N . 10310 1 333 . 1 1 35 35 HIS H H 1 7.340 0.030 . 1 . . . . 35 HIS H . 10310 1 334 . 1 1 35 35 HIS HA H 1 4.773 0.030 . 1 . . . . 35 HIS HA . 10310 1 335 . 1 1 35 35 HIS HB2 H 1 3.146 0.030 . 2 . . . . 35 HIS HB2 . 10310 1 336 . 1 1 35 35 HIS HB3 H 1 2.850 0.030 . 2 . . . . 35 HIS HB3 . 10310 1 337 . 1 1 35 35 HIS HD2 H 1 6.442 0.030 . 1 . . . . 35 HIS HD2 . 10310 1 338 . 1 1 35 35 HIS HE1 H 1 8.012 0.030 . 1 . . . . 35 HIS HE1 . 10310 1 339 . 1 1 35 35 HIS C C 13 175.833 0.300 . 1 . . . . 35 HIS C . 10310 1 340 . 1 1 35 35 HIS CA C 13 55.311 0.300 . 1 . . . . 35 HIS CA . 10310 1 341 . 1 1 35 35 HIS CB C 13 28.452 0.300 . 1 . . . . 35 HIS CB . 10310 1 342 . 1 1 35 35 HIS CD2 C 13 127.653 0.300 . 1 . . . . 35 HIS CD2 . 10310 1 343 . 1 1 35 35 HIS CE1 C 13 139.794 0.300 . 1 . . . . 35 HIS CE1 . 10310 1 344 . 1 1 35 35 HIS N N 15 117.846 0.300 . 1 . . . . 35 HIS N . 10310 1 345 . 1 1 36 36 THR H H 1 7.727 0.030 . 1 . . . . 36 THR H . 10310 1 346 . 1 1 36 36 THR HA H 1 4.320 0.030 . 1 . . . . 36 THR HA . 10310 1 347 . 1 1 36 36 THR HB H 1 4.311 0.030 . 1 . . . . 36 THR HB . 10310 1 348 . 1 1 36 36 THR HG21 H 1 1.180 0.030 . 1 . . . . 36 THR HG2 . 10310 1 349 . 1 1 36 36 THR HG22 H 1 1.180 0.030 . 1 . . . . 36 THR HG2 . 10310 1 350 . 1 1 36 36 THR HG23 H 1 1.180 0.030 . 1 . . . . 36 THR HG2 . 10310 1 351 . 1 1 36 36 THR C C 13 175.524 0.300 . 1 . . . . 36 THR C . 10310 1 352 . 1 1 36 36 THR CA C 13 62.493 0.300 . 1 . . . . 36 THR CA . 10310 1 353 . 1 1 36 36 THR CB C 13 69.873 0.300 . 1 . . . . 36 THR CB . 10310 1 354 . 1 1 36 36 THR CG2 C 13 21.582 0.300 . 1 . . . . 36 THR CG2 . 10310 1 355 . 1 1 36 36 THR N N 15 111.086 0.300 . 1 . . . . 36 THR N . 10310 1 356 . 1 1 37 37 GLY H H 1 8.172 0.030 . 1 . . . . 37 GLY H . 10310 1 357 . 1 1 37 37 GLY HA2 H 1 3.937 0.030 . 2 . . . . 37 GLY HA2 . 10310 1 358 . 1 1 37 37 GLY HA3 H 1 4.020 0.030 . 2 . . . . 37 GLY HA3 . 10310 1 359 . 1 1 37 37 GLY C C 13 174.042 0.300 . 1 . . . . 37 GLY C . 10310 1 360 . 1 1 37 37 GLY CA C 13 45.326 0.300 . 1 . . . . 37 GLY CA . 10310 1 361 . 1 1 37 37 GLY N N 15 110.526 0.300 . 1 . . . . 37 GLY N . 10310 1 362 . 1 1 38 38 GLU H H 1 8.236 0.030 . 1 . . . . 38 GLU H . 10310 1 363 . 1 1 38 38 GLU HA H 1 4.255 0.030 . 1 . . . . 38 GLU HA . 10310 1 364 . 1 1 38 38 GLU HB2 H 1 2.011 0.030 . 2 . . . . 38 GLU HB2 . 10310 1 365 . 1 1 38 38 GLU HB3 H 1 1.895 0.030 . 2 . . . . 38 GLU HB3 . 10310 1 366 . 1 1 38 38 GLU HG2 H 1 2.267 0.030 . 2 . . . . 38 GLU HG2 . 10310 1 367 . 1 1 38 38 GLU HG3 H 1 2.212 0.030 . 2 . . . . 38 GLU HG3 . 10310 1 368 . 1 1 38 38 GLU C C 13 176.238 0.300 . 1 . . . . 38 GLU C . 10310 1 369 . 1 1 38 38 GLU CA C 13 56.565 0.300 . 1 . . . . 38 GLU CA . 10310 1 370 . 1 1 38 38 GLU CB C 13 30.452 0.300 . 1 . . . . 38 GLU CB . 10310 1 371 . 1 1 38 38 GLU CG C 13 36.294 0.300 . 1 . . . . 38 GLU CG . 10310 1 372 . 1 1 38 38 GLU N N 15 120.532 0.300 . 1 . . . . 38 GLU N . 10310 1 373 . 1 1 39 39 LYS H H 1 8.385 0.030 . 1 . . . . 39 LYS H . 10310 1 374 . 1 1 39 39 LYS HA H 1 4.580 0.030 . 1 . . . . 39 LYS HA . 10310 1 375 . 1 1 39 39 LYS HB2 H 1 1.704 0.030 . 2 . . . . 39 LYS HB2 . 10310 1 376 . 1 1 39 39 LYS HB3 H 1 1.800 0.030 . 2 . . . . 39 LYS HB3 . 10310 1 377 . 1 1 39 39 LYS HD2 H 1 1.672 0.030 . 1 . . . . 39 LYS HD2 . 10310 1 378 . 1 1 39 39 LYS HD3 H 1 1.672 0.030 . 1 . . . . 39 LYS HD3 . 10310 1 379 . 1 1 39 39 LYS HE2 H 1 2.990 0.030 . 1 . . . . 39 LYS HE2 . 10310 1 380 . 1 1 39 39 LYS HE3 H 1 2.990 0.030 . 1 . . . . 39 LYS HE3 . 10310 1 381 . 1 1 39 39 LYS HG2 H 1 1.453 0.030 . 1 . . . . 39 LYS HG2 . 10310 1 382 . 1 1 39 39 LYS HG3 H 1 1.453 0.030 . 1 . . . . 39 LYS HG3 . 10310 1 383 . 1 1 39 39 LYS C C 13 174.444 0.300 . 1 . . . . 39 LYS C . 10310 1 384 . 1 1 39 39 LYS CA C 13 54.080 0.300 . 1 . . . . 39 LYS CA . 10310 1 385 . 1 1 39 39 LYS CB C 13 32.503 0.300 . 1 . . . . 39 LYS CB . 10310 1 386 . 1 1 39 39 LYS CD C 13 29.138 0.300 . 1 . . . . 39 LYS CD . 10310 1 387 . 1 1 39 39 LYS CE C 13 42.169 0.300 . 1 . . . . 39 LYS CE . 10310 1 388 . 1 1 39 39 LYS CG C 13 24.492 0.300 . 1 . . . . 39 LYS CG . 10310 1 389 . 1 1 39 39 LYS N N 15 123.682 0.300 . 1 . . . . 39 LYS N . 10310 1 390 . 1 1 40 40 PRO HA H 1 4.438 0.030 . 1 . . . . 40 PRO HA . 10310 1 391 . 1 1 40 40 PRO HB2 H 1 2.290 0.030 . 2 . . . . 40 PRO HB2 . 10310 1 392 . 1 1 40 40 PRO HB3 H 1 1.923 0.030 . 2 . . . . 40 PRO HB3 . 10310 1 393 . 1 1 40 40 PRO HD2 H 1 3.790 0.030 . 2 . . . . 40 PRO HD2 . 10310 1 394 . 1 1 40 40 PRO HD3 H 1 3.622 0.030 . 2 . . . . 40 PRO HD3 . 10310 1 395 . 1 1 40 40 PRO HG2 H 1 1.977 0.030 . 2 . . . . 40 PRO HG2 . 10310 1 396 . 1 1 40 40 PRO HG3 H 1 2.020 0.030 . 2 . . . . 40 PRO HG3 . 10310 1 397 . 1 1 40 40 PRO C C 13 176.942 0.300 . 1 . . . . 40 PRO C . 10310 1 398 . 1 1 40 40 PRO CA C 13 63.210 0.300 . 1 . . . . 40 PRO CA . 10310 1 399 . 1 1 40 40 PRO CB C 13 32.183 0.300 . 1 . . . . 40 PRO CB . 10310 1 400 . 1 1 40 40 PRO CD C 13 50.668 0.300 . 1 . . . . 40 PRO CD . 10310 1 401 . 1 1 40 40 PRO CG C 13 27.375 0.300 . 1 . . . . 40 PRO CG . 10310 1 402 . 1 1 41 41 SER H H 1 8.478 0.030 . 1 . . . . 41 SER H . 10310 1 403 . 1 1 41 41 SER HA H 1 4.476 0.030 . 1 . . . . 41 SER HA . 10310 1 404 . 1 1 41 41 SER HB2 H 1 3.904 0.030 . 1 . . . . 41 SER HB2 . 10310 1 405 . 1 1 41 41 SER HB3 H 1 3.904 0.030 . 1 . . . . 41 SER HB3 . 10310 1 406 . 1 1 41 41 SER C C 13 174.630 0.300 . 1 . . . . 41 SER C . 10310 1 407 . 1 1 41 41 SER CA C 13 58.369 0.300 . 1 . . . . 41 SER CA . 10310 1 408 . 1 1 41 41 SER CB C 13 63.989 0.300 . 1 . . . . 41 SER CB . 10310 1 409 . 1 1 41 41 SER N N 15 116.501 0.300 . 1 . . . . 41 SER N . 10310 1 410 . 1 1 42 42 GLY HA2 H 1 4.131 0.030 . 1 . . . . 42 GLY HA2 . 10310 1 411 . 1 1 42 42 GLY HA3 H 1 4.131 0.030 . 1 . . . . 42 GLY HA3 . 10310 1 412 . 1 1 42 42 GLY CA C 13 44.668 0.300 . 1 . . . . 42 GLY CA . 10310 1 413 . 1 1 43 43 PRO HA H 1 4.464 0.030 . 1 . . . . 43 PRO HA . 10310 1 414 . 1 1 43 43 PRO HB2 H 1 2.289 0.030 . 2 . . . . 43 PRO HB2 . 10310 1 415 . 1 1 43 43 PRO HB3 H 1 1.963 0.030 . 2 . . . . 43 PRO HB3 . 10310 1 416 . 1 1 43 43 PRO HD2 H 1 3.613 0.030 . 1 . . . . 43 PRO HD2 . 10310 1 417 . 1 1 43 43 PRO HD3 H 1 3.613 0.030 . 1 . . . . 43 PRO HD3 . 10310 1 418 . 1 1 43 43 PRO HG2 H 1 2.008 0.030 . 1 . . . . 43 PRO HG2 . 10310 1 419 . 1 1 43 43 PRO HG3 H 1 2.008 0.030 . 1 . . . . 43 PRO HG3 . 10310 1 420 . 1 1 43 43 PRO CA C 13 63.256 0.300 . 1 . . . . 43 PRO CA . 10310 1 421 . 1 1 43 43 PRO CB C 13 32.209 0.300 . 1 . . . . 43 PRO CB . 10310 1 422 . 1 1 43 43 PRO CD C 13 49.791 0.300 . 1 . . . . 43 PRO CD . 10310 1 423 . 1 1 43 43 PRO CG C 13 27.153 0.300 . 1 . . . . 43 PRO CG . 10310 1 424 . 1 1 45 45 SER HA H 1 4.474 0.030 . 1 . . . . 45 SER HA . 10310 1 425 . 1 1 45 45 SER HB2 H 1 3.861 0.030 . 1 . . . . 45 SER HB2 . 10310 1 426 . 1 1 45 45 SER HB3 H 1 3.861 0.030 . 1 . . . . 45 SER HB3 . 10310 1 427 . 1 1 45 45 SER C C 13 173.885 0.300 . 1 . . . . 45 SER C . 10310 1 428 . 1 1 45 45 SER CA C 13 58.394 0.300 . 1 . . . . 45 SER CA . 10310 1 429 . 1 1 45 45 SER CB C 13 64.005 0.300 . 1 . . . . 45 SER CB . 10310 1 430 . 1 1 46 46 GLY H H 1 8.046 0.030 . 1 . . . . 46 GLY H . 10310 1 431 . 1 1 46 46 GLY HA2 H 1 3.790 0.030 . 2 . . . . 46 GLY HA2 . 10310 1 432 . 1 1 46 46 GLY HA3 H 1 3.746 0.030 . 2 . . . . 46 GLY HA3 . 10310 1 433 . 1 1 46 46 GLY C C 13 178.965 0.300 . 1 . . . . 46 GLY C . 10310 1 434 . 1 1 46 46 GLY CA C 13 46.222 0.300 . 1 . . . . 46 GLY CA . 10310 1 435 . 1 1 46 46 GLY N N 15 116.855 0.300 . 1 . . . . 46 GLY N . 10310 1 stop_ save_