################################### # 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 10307 _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 10307 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10307 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 9 9 GLY HA2 H 1 3.924 0.030 . 1 . . . . 9 GLY HA2 . 10307 1 2 . 1 1 9 9 GLY HA3 H 1 3.924 0.030 . 1 . . . . 9 GLY HA3 . 10307 1 3 . 1 1 9 9 GLY C C 13 174.059 0.300 . 1 . . . . 9 GLY C . 10307 1 4 . 1 1 9 9 GLY CA C 13 45.201 0.300 . 1 . . . . 9 GLY CA . 10307 1 5 . 1 1 10 10 GLU H H 1 8.196 0.030 . 1 . . . . 10 GLU H . 10307 1 6 . 1 1 10 10 GLU HA H 1 4.143 0.030 . 1 . . . . 10 GLU HA . 10307 1 7 . 1 1 10 10 GLU HB2 H 1 1.929 0.030 . 2 . . . . 10 GLU HB2 . 10307 1 8 . 1 1 10 10 GLU HB3 H 1 1.863 0.030 . 2 . . . . 10 GLU HB3 . 10307 1 9 . 1 1 10 10 GLU HG2 H 1 2.191 0.030 . 2 . . . . 10 GLU HG2 . 10307 1 10 . 1 1 10 10 GLU HG3 H 1 2.154 0.030 . 2 . . . . 10 GLU HG3 . 10307 1 11 . 1 1 10 10 GLU C C 13 176.208 0.300 . 1 . . . . 10 GLU C . 10307 1 12 . 1 1 10 10 GLU CA C 13 56.664 0.300 . 1 . . . . 10 GLU CA . 10307 1 13 . 1 1 10 10 GLU CB C 13 30.318 0.300 . 1 . . . . 10 GLU CB . 10307 1 14 . 1 1 10 10 GLU CG C 13 36.156 0.300 . 1 . . . . 10 GLU CG . 10307 1 15 . 1 1 10 10 GLU N N 15 120.402 0.300 . 1 . . . . 10 GLU N . 10307 1 16 . 1 1 11 11 LYS H H 1 8.272 0.030 . 1 . . . . 11 LYS H . 10307 1 17 . 1 1 11 11 LYS HA H 1 4.356 0.030 . 1 . . . . 11 LYS HA . 10307 1 18 . 1 1 11 11 LYS HB2 H 1 1.404 0.030 . 2 . . . . 11 LYS HB2 . 10307 1 19 . 1 1 11 11 LYS HB3 H 1 1.214 0.030 . 2 . . . . 11 LYS HB3 . 10307 1 20 . 1 1 11 11 LYS HD2 H 1 1.263 0.030 . 1 . . . . 11 LYS HD2 . 10307 1 21 . 1 1 11 11 LYS HD3 H 1 1.263 0.030 . 1 . . . . 11 LYS HD3 . 10307 1 22 . 1 1 11 11 LYS HE2 H 1 2.711 0.030 . 1 . . . . 11 LYS HE2 . 10307 1 23 . 1 1 11 11 LYS HE3 H 1 2.711 0.030 . 1 . . . . 11 LYS HE3 . 10307 1 24 . 1 1 11 11 LYS HG2 H 1 1.061 0.030 . 2 . . . . 11 LYS HG2 . 10307 1 25 . 1 1 11 11 LYS HG3 H 1 0.474 0.030 . 2 . . . . 11 LYS HG3 . 10307 1 26 . 1 1 11 11 LYS C C 13 174.148 0.300 . 1 . . . . 11 LYS C . 10307 1 27 . 1 1 11 11 LYS CA C 13 53.887 0.300 . 1 . . . . 11 LYS CA . 10307 1 28 . 1 1 11 11 LYS CB C 13 33.075 0.300 . 1 . . . . 11 LYS CB . 10307 1 29 . 1 1 11 11 LYS CD C 13 29.499 0.300 . 1 . . . . 11 LYS CD . 10307 1 30 . 1 1 11 11 LYS CE C 13 42.103 0.300 . 1 . . . . 11 LYS CE . 10307 1 31 . 1 1 11 11 LYS CG C 13 24.613 0.300 . 1 . . . . 11 LYS CG . 10307 1 32 . 1 1 11 11 LYS N N 15 122.023 0.300 . 1 . . . . 11 LYS N . 10307 1 33 . 1 1 12 12 PRO HA H 1 4.198 0.030 . 1 . . . . 12 PRO HA . 10307 1 34 . 1 1 12 12 PRO HB2 H 1 1.937 0.030 . 2 . . . . 12 PRO HB2 . 10307 1 35 . 1 1 12 12 PRO HB3 H 1 1.111 0.030 . 2 . . . . 12 PRO HB3 . 10307 1 36 . 1 1 12 12 PRO HD2 H 1 3.724 0.030 . 2 . . . . 12 PRO HD2 . 10307 1 37 . 1 1 12 12 PRO HD3 H 1 3.661 0.030 . 2 . . . . 12 PRO HD3 . 10307 1 38 . 1 1 12 12 PRO HG2 H 1 1.756 0.030 . 2 . . . . 12 PRO HG2 . 10307 1 39 . 1 1 12 12 PRO HG3 H 1 1.516 0.030 . 2 . . . . 12 PRO HG3 . 10307 1 40 . 1 1 12 12 PRO C C 13 176.591 0.300 . 1 . . . . 12 PRO C . 10307 1 41 . 1 1 12 12 PRO CA C 13 63.566 0.300 . 1 . . . . 12 PRO CA . 10307 1 42 . 1 1 12 12 PRO CB C 13 32.225 0.300 . 1 . . . . 12 PRO CB . 10307 1 43 . 1 1 12 12 PRO CD C 13 50.457 0.300 . 1 . . . . 12 PRO CD . 10307 1 44 . 1 1 12 12 PRO CG C 13 26.569 0.300 . 1 . . . . 12 PRO CG . 10307 1 45 . 1 1 13 13 TYR H H 1 7.625 0.030 . 1 . . . . 13 TYR H . 10307 1 46 . 1 1 13 13 TYR HA H 1 4.596 0.030 . 1 . . . . 13 TYR HA . 10307 1 47 . 1 1 13 13 TYR HB2 H 1 2.910 0.030 . 2 . . . . 13 TYR HB2 . 10307 1 48 . 1 1 13 13 TYR HB3 H 1 2.736 0.030 . 2 . . . . 13 TYR HB3 . 10307 1 49 . 1 1 13 13 TYR HD1 H 1 6.924 0.030 . 1 . . . . 13 TYR HD1 . 10307 1 50 . 1 1 13 13 TYR HD2 H 1 6.924 0.030 . 1 . . . . 13 TYR HD2 . 10307 1 51 . 1 1 13 13 TYR HE1 H 1 6.825 0.030 . 1 . . . . 13 TYR HE1 . 10307 1 52 . 1 1 13 13 TYR HE2 H 1 6.825 0.030 . 1 . . . . 13 TYR HE2 . 10307 1 53 . 1 1 13 13 TYR C C 13 174.457 0.300 . 1 . . . . 13 TYR C . 10307 1 54 . 1 1 13 13 TYR CA C 13 57.457 0.300 . 1 . . . . 13 TYR CA . 10307 1 55 . 1 1 13 13 TYR CB C 13 38.416 0.300 . 1 . . . . 13 TYR CB . 10307 1 56 . 1 1 13 13 TYR CD1 C 13 133.109 0.300 . 1 . . . . 13 TYR CD1 . 10307 1 57 . 1 1 13 13 TYR CD2 C 13 133.109 0.300 . 1 . . . . 13 TYR CD2 . 10307 1 58 . 1 1 13 13 TYR CE1 C 13 118.496 0.300 . 1 . . . . 13 TYR CE1 . 10307 1 59 . 1 1 13 13 TYR CE2 C 13 118.496 0.300 . 1 . . . . 13 TYR CE2 . 10307 1 60 . 1 1 13 13 TYR N N 15 117.922 0.300 . 1 . . . . 13 TYR N . 10307 1 61 . 1 1 14 14 LYS H H 1 8.616 0.030 . 1 . . . . 14 LYS H . 10307 1 62 . 1 1 14 14 LYS HA H 1 4.909 0.030 . 1 . . . . 14 LYS HA . 10307 1 63 . 1 1 14 14 LYS HB2 H 1 1.566 0.030 . 1 . . . . 14 LYS HB2 . 10307 1 64 . 1 1 14 14 LYS HB3 H 1 1.566 0.030 . 1 . . . . 14 LYS HB3 . 10307 1 65 . 1 1 14 14 LYS HD2 H 1 1.530 0.030 . 1 . . . . 14 LYS HD2 . 10307 1 66 . 1 1 14 14 LYS HD3 H 1 1.530 0.030 . 1 . . . . 14 LYS HD3 . 10307 1 67 . 1 1 14 14 LYS HE2 H 1 2.871 0.030 . 1 . . . . 14 LYS HE2 . 10307 1 68 . 1 1 14 14 LYS HE3 H 1 2.871 0.030 . 1 . . . . 14 LYS HE3 . 10307 1 69 . 1 1 14 14 LYS HG2 H 1 1.132 0.030 . 1 . . . . 14 LYS HG2 . 10307 1 70 . 1 1 14 14 LYS HG3 H 1 1.132 0.030 . 1 . . . . 14 LYS HG3 . 10307 1 71 . 1 1 14 14 LYS C C 13 175.474 0.300 . 1 . . . . 14 LYS C . 10307 1 72 . 1 1 14 14 LYS CA C 13 55.076 0.300 . 1 . . . . 14 LYS CA . 10307 1 73 . 1 1 14 14 LYS CB C 13 35.240 0.300 . 1 . . . . 14 LYS CB . 10307 1 74 . 1 1 14 14 LYS CD C 13 29.319 0.300 . 1 . . . . 14 LYS CD . 10307 1 75 . 1 1 14 14 LYS CE C 13 41.985 0.300 . 1 . . . . 14 LYS CE . 10307 1 76 . 1 1 14 14 LYS CG C 13 24.885 0.300 . 1 . . . . 14 LYS CG . 10307 1 77 . 1 1 14 14 LYS N N 15 124.826 0.300 . 1 . . . . 14 LYS N . 10307 1 78 . 1 1 15 15 CYS H H 1 9.266 0.030 . 1 . . . . 15 CYS H . 10307 1 79 . 1 1 15 15 CYS HA H 1 4.472 0.030 . 1 . . . . 15 CYS HA . 10307 1 80 . 1 1 15 15 CYS HB2 H 1 2.817 0.030 . 2 . . . . 15 CYS HB2 . 10307 1 81 . 1 1 15 15 CYS HB3 H 1 3.352 0.030 . 2 . . . . 15 CYS HB3 . 10307 1 82 . 1 1 15 15 CYS C C 13 177.463 0.300 . 1 . . . . 15 CYS C . 10307 1 83 . 1 1 15 15 CYS CA C 13 59.840 0.300 . 1 . . . . 15 CYS CA . 10307 1 84 . 1 1 15 15 CYS CB C 13 29.647 0.300 . 1 . . . . 15 CYS CB . 10307 1 85 . 1 1 15 15 CYS N N 15 127.217 0.300 . 1 . . . . 15 CYS N . 10307 1 86 . 1 1 16 16 SER HA H 1 4.179 0.030 . 1 . . . . 16 SER HA . 10307 1 87 . 1 1 16 16 SER HB2 H 1 3.991 0.030 . 2 . . . . 16 SER HB2 . 10307 1 88 . 1 1 16 16 SER HB3 H 1 3.946 0.030 . 2 . . . . 16 SER HB3 . 10307 1 89 . 1 1 16 16 SER C C 13 174.495 0.300 . 1 . . . . 16 SER C . 10307 1 90 . 1 1 16 16 SER CA C 13 60.890 0.300 . 1 . . . . 16 SER CA . 10307 1 91 . 1 1 16 16 SER CB C 13 62.984 0.300 . 1 . . . . 16 SER CB . 10307 1 92 . 1 1 17 17 GLU H H 1 8.723 0.030 . 1 . . . . 17 GLU H . 10307 1 93 . 1 1 17 17 GLU HA H 1 4.185 0.030 . 1 . . . . 17 GLU HA . 10307 1 94 . 1 1 17 17 GLU HB2 H 1 1.235 0.030 . 1 . . . . 17 GLU HB2 . 10307 1 95 . 1 1 17 17 GLU HB3 H 1 1.235 0.030 . 1 . . . . 17 GLU HB3 . 10307 1 96 . 1 1 17 17 GLU HG2 H 1 1.847 0.030 . 2 . . . . 17 GLU HG2 . 10307 1 97 . 1 1 17 17 GLU HG3 H 1 1.784 0.030 . 2 . . . . 17 GLU HG3 . 10307 1 98 . 1 1 17 17 GLU C C 13 177.100 0.300 . 1 . . . . 17 GLU C . 10307 1 99 . 1 1 17 17 GLU CA C 13 58.351 0.300 . 1 . . . . 17 GLU CA . 10307 1 100 . 1 1 17 17 GLU CB C 13 29.420 0.300 . 1 . . . . 17 GLU CB . 10307 1 101 . 1 1 17 17 GLU CG C 13 36.270 0.300 . 1 . . . . 17 GLU CG . 10307 1 102 . 1 1 17 17 GLU N N 15 123.086 0.300 . 1 . . . . 17 GLU N . 10307 1 103 . 1 1 18 18 CYS H H 1 7.900 0.030 . 1 . . . . 18 CYS H . 10307 1 104 . 1 1 18 18 CYS HA H 1 5.118 0.030 . 1 . . . . 18 CYS HA . 10307 1 105 . 1 1 18 18 CYS HB2 H 1 3.381 0.030 . 2 . . . . 18 CYS HB2 . 10307 1 106 . 1 1 18 18 CYS HB3 H 1 2.796 0.030 . 2 . . . . 18 CYS HB3 . 10307 1 107 . 1 1 18 18 CYS C C 13 176.194 0.300 . 1 . . . . 18 CYS C . 10307 1 108 . 1 1 18 18 CYS CA C 13 58.313 0.300 . 1 . . . . 18 CYS CA . 10307 1 109 . 1 1 18 18 CYS CB C 13 32.480 0.300 . 1 . . . . 18 CYS CB . 10307 1 110 . 1 1 18 18 CYS N N 15 114.925 0.300 . 1 . . . . 18 CYS N . 10307 1 111 . 1 1 19 19 GLY H H 1 8.073 0.030 . 1 . . . . 19 GLY H . 10307 1 112 . 1 1 19 19 GLY HA2 H 1 4.188 0.030 . 2 . . . . 19 GLY HA2 . 10307 1 113 . 1 1 19 19 GLY HA3 H 1 3.722 0.030 . 2 . . . . 19 GLY HA3 . 10307 1 114 . 1 1 19 19 GLY C C 13 173.605 0.300 . 1 . . . . 19 GLY C . 10307 1 115 . 1 1 19 19 GLY CA C 13 46.140 0.300 . 1 . . . . 19 GLY CA . 10307 1 116 . 1 1 19 19 GLY N N 15 113.100 0.300 . 1 . . . . 19 GLY N . 10307 1 117 . 1 1 20 20 LYS H H 1 7.972 0.030 . 1 . . . . 20 LYS H . 10307 1 118 . 1 1 20 20 LYS HA H 1 3.856 0.030 . 1 . . . . 20 LYS HA . 10307 1 119 . 1 1 20 20 LYS HB2 H 1 1.373 0.030 . 2 . . . . 20 LYS HB2 . 10307 1 120 . 1 1 20 20 LYS HB3 H 1 1.119 0.030 . 2 . . . . 20 LYS HB3 . 10307 1 121 . 1 1 20 20 LYS HD2 H 1 1.377 0.030 . 2 . . . . 20 LYS HD2 . 10307 1 122 . 1 1 20 20 LYS HD3 H 1 1.458 0.030 . 2 . . . . 20 LYS HD3 . 10307 1 123 . 1 1 20 20 LYS HE2 H 1 2.906 0.030 . 2 . . . . 20 LYS HE2 . 10307 1 124 . 1 1 20 20 LYS HE3 H 1 2.846 0.030 . 2 . . . . 20 LYS HE3 . 10307 1 125 . 1 1 20 20 LYS HG2 H 1 0.986 0.030 . 2 . . . . 20 LYS HG2 . 10307 1 126 . 1 1 20 20 LYS HG3 H 1 1.323 0.030 . 2 . . . . 20 LYS HG3 . 10307 1 127 . 1 1 20 20 LYS C C 13 173.608 0.300 . 1 . . . . 20 LYS C . 10307 1 128 . 1 1 20 20 LYS CA C 13 58.326 0.300 . 1 . . . . 20 LYS CA . 10307 1 129 . 1 1 20 20 LYS CB C 13 33.462 0.300 . 1 . . . . 20 LYS CB . 10307 1 130 . 1 1 20 20 LYS CD C 13 29.268 0.300 . 1 . . . . 20 LYS CD . 10307 1 131 . 1 1 20 20 LYS CE C 13 42.113 0.300 . 1 . . . . 20 LYS CE . 10307 1 132 . 1 1 20 20 LYS CG C 13 26.172 0.300 . 1 . . . . 20 LYS CG . 10307 1 133 . 1 1 20 20 LYS N N 15 123.405 0.300 . 1 . . . . 20 LYS N . 10307 1 134 . 1 1 21 21 ALA H H 1 7.747 0.030 . 1 . . . . 21 ALA H . 10307 1 135 . 1 1 21 21 ALA HA H 1 5.134 0.030 . 1 . . . . 21 ALA HA . 10307 1 136 . 1 1 21 21 ALA HB1 H 1 1.114 0.030 . 1 . . . . 21 ALA HB . 10307 1 137 . 1 1 21 21 ALA HB2 H 1 1.114 0.030 . 1 . . . . 21 ALA HB . 10307 1 138 . 1 1 21 21 ALA HB3 H 1 1.114 0.030 . 1 . . . . 21 ALA HB . 10307 1 139 . 1 1 21 21 ALA C C 13 176.007 0.300 . 1 . . . . 21 ALA C . 10307 1 140 . 1 1 21 21 ALA CA C 13 50.225 0.300 . 1 . . . . 21 ALA CA . 10307 1 141 . 1 1 21 21 ALA CB C 13 22.464 0.300 . 1 . . . . 21 ALA CB . 10307 1 142 . 1 1 21 21 ALA N N 15 124.326 0.300 . 1 . . . . 21 ALA N . 10307 1 143 . 1 1 22 22 PHE H H 1 8.710 0.030 . 1 . . . . 22 PHE H . 10307 1 144 . 1 1 22 22 PHE HA H 1 4.662 0.030 . 1 . . . . 22 PHE HA . 10307 1 145 . 1 1 22 22 PHE HB2 H 1 3.527 0.030 . 2 . . . . 22 PHE HB2 . 10307 1 146 . 1 1 22 22 PHE HB3 H 1 2.648 0.030 . 2 . . . . 22 PHE HB3 . 10307 1 147 . 1 1 22 22 PHE HD1 H 1 7.232 0.030 . 1 . . . . 22 PHE HD1 . 10307 1 148 . 1 1 22 22 PHE HD2 H 1 7.232 0.030 . 1 . . . . 22 PHE HD2 . 10307 1 149 . 1 1 22 22 PHE HE1 H 1 6.790 0.030 . 1 . . . . 22 PHE HE1 . 10307 1 150 . 1 1 22 22 PHE HE2 H 1 6.790 0.030 . 1 . . . . 22 PHE HE2 . 10307 1 151 . 1 1 22 22 PHE HZ H 1 6.237 0.030 . 1 . . . . 22 PHE HZ . 10307 1 152 . 1 1 22 22 PHE C C 13 175.200 0.300 . 1 . . . . 22 PHE C . 10307 1 153 . 1 1 22 22 PHE CA C 13 57.256 0.300 . 1 . . . . 22 PHE CA . 10307 1 154 . 1 1 22 22 PHE CB C 13 44.103 0.300 . 1 . . . . 22 PHE CB . 10307 1 155 . 1 1 22 22 PHE CD1 C 13 132.393 0.300 . 1 . . . . 22 PHE CD1 . 10307 1 156 . 1 1 22 22 PHE CD2 C 13 132.393 0.300 . 1 . . . . 22 PHE CD2 . 10307 1 157 . 1 1 22 22 PHE CE1 C 13 130.654 0.300 . 1 . . . . 22 PHE CE1 . 10307 1 158 . 1 1 22 22 PHE CE2 C 13 130.654 0.300 . 1 . . . . 22 PHE CE2 . 10307 1 159 . 1 1 22 22 PHE CZ C 13 128.820 0.300 . 1 . . . . 22 PHE CZ . 10307 1 160 . 1 1 22 22 PHE N N 15 116.126 0.300 . 1 . . . . 22 PHE N . 10307 1 161 . 1 1 23 23 HIS H H 1 9.458 0.030 . 1 . . . . 23 HIS H . 10307 1 162 . 1 1 23 23 HIS HA H 1 4.799 0.030 . 1 . . . . 23 HIS HA . 10307 1 163 . 1 1 23 23 HIS HB2 H 1 3.287 0.030 . 1 . . . . 23 HIS HB2 . 10307 1 164 . 1 1 23 23 HIS HB3 H 1 3.287 0.030 . 1 . . . . 23 HIS HB3 . 10307 1 165 . 1 1 23 23 HIS HD2 H 1 7.129 0.030 . 1 . . . . 23 HIS HD2 . 10307 1 166 . 1 1 23 23 HIS HE1 H 1 7.718 0.030 . 1 . . . . 23 HIS HE1 . 10307 1 167 . 1 1 23 23 HIS C C 13 175.476 0.300 . 1 . . . . 23 HIS C . 10307 1 168 . 1 1 23 23 HIS CA C 13 59.189 0.300 . 1 . . . . 23 HIS CA . 10307 1 169 . 1 1 23 23 HIS CB C 13 31.948 0.300 . 1 . . . . 23 HIS CB . 10307 1 170 . 1 1 23 23 HIS CD2 C 13 121.259 0.300 . 1 . . . . 23 HIS CD2 . 10307 1 171 . 1 1 23 23 HIS CE1 C 13 138.795 0.300 . 1 . . . . 23 HIS CE1 . 10307 1 172 . 1 1 23 23 HIS N N 15 119.423 0.300 . 1 . . . . 23 HIS N . 10307 1 173 . 1 1 24 24 ARG H H 1 7.458 0.030 . 1 . . . . 24 ARG H . 10307 1 174 . 1 1 24 24 ARG HA H 1 4.748 0.030 . 1 . . . . 24 ARG HA . 10307 1 175 . 1 1 24 24 ARG HB2 H 1 1.623 0.030 . 2 . . . . 24 ARG HB2 . 10307 1 176 . 1 1 24 24 ARG HB3 H 1 0.852 0.030 . 2 . . . . 24 ARG HB3 . 10307 1 177 . 1 1 24 24 ARG HD2 H 1 2.905 0.030 . 2 . . . . 24 ARG HD2 . 10307 1 178 . 1 1 24 24 ARG HD3 H 1 2.975 0.030 . 2 . . . . 24 ARG HD3 . 10307 1 179 . 1 1 24 24 ARG HG2 H 1 1.420 0.030 . 1 . . . . 24 ARG HG2 . 10307 1 180 . 1 1 24 24 ARG HG3 H 1 1.420 0.030 . 1 . . . . 24 ARG HG3 . 10307 1 181 . 1 1 24 24 ARG C C 13 176.296 0.300 . 1 . . . . 24 ARG C . 10307 1 182 . 1 1 24 24 ARG CA C 13 53.889 0.300 . 1 . . . . 24 ARG CA . 10307 1 183 . 1 1 24 24 ARG CB C 13 33.283 0.300 . 1 . . . . 24 ARG CB . 10307 1 184 . 1 1 24 24 ARG CD C 13 43.078 0.300 . 1 . . . . 24 ARG CD . 10307 1 185 . 1 1 24 24 ARG CG C 13 26.938 0.300 . 1 . . . . 24 ARG CG . 10307 1 186 . 1 1 24 24 ARG N N 15 113.387 0.300 . 1 . . . . 24 ARG N . 10307 1 187 . 1 1 25 25 HIS HA H 1 3.237 0.030 . 1 . . . . 25 HIS HA . 10307 1 188 . 1 1 25 25 HIS HB2 H 1 2.543 0.030 . 2 . . . . 25 HIS HB2 . 10307 1 189 . 1 1 25 25 HIS HB3 H 1 2.452 0.030 . 2 . . . . 25 HIS HB3 . 10307 1 190 . 1 1 25 25 HIS HD2 H 1 6.743 0.030 . 1 . . . . 25 HIS HD2 . 10307 1 191 . 1 1 25 25 HIS HE1 H 1 7.824 0.030 . 1 . . . . 25 HIS HE1 . 10307 1 192 . 1 1 25 25 HIS CA C 13 59.639 0.300 . 1 . . . . 25 HIS CA . 10307 1 193 . 1 1 25 25 HIS CB C 13 29.890 0.300 . 1 . . . . 25 HIS CB . 10307 1 194 . 1 1 25 25 HIS CD2 C 13 119.362 0.300 . 1 . . . . 25 HIS CD2 . 10307 1 195 . 1 1 25 25 HIS CE1 C 13 138.881 0.300 . 1 . . . . 25 HIS CE1 . 10307 1 196 . 1 1 26 26 THR HA H 1 3.744 0.030 . 1 . . . . 26 THR HA . 10307 1 197 . 1 1 26 26 THR HB H 1 3.952 0.030 . 1 . . . . 26 THR HB . 10307 1 198 . 1 1 26 26 THR HG21 H 1 1.021 0.030 . 1 . . . . 26 THR HG2 . 10307 1 199 . 1 1 26 26 THR HG22 H 1 1.021 0.030 . 1 . . . . 26 THR HG2 . 10307 1 200 . 1 1 26 26 THR HG23 H 1 1.021 0.030 . 1 . . . . 26 THR HG2 . 10307 1 201 . 1 1 26 26 THR C C 13 176.782 0.300 . 1 . . . . 26 THR C . 10307 1 202 . 1 1 26 26 THR CA C 13 64.444 0.300 . 1 . . . . 26 THR CA . 10307 1 203 . 1 1 26 26 THR CB C 13 67.737 0.300 . 1 . . . . 26 THR CB . 10307 1 204 . 1 1 26 26 THR CG2 C 13 22.218 0.300 . 1 . . . . 26 THR CG2 . 10307 1 205 . 1 1 27 27 HIS H H 1 6.473 0.030 . 1 . . . . 27 HIS H . 10307 1 206 . 1 1 27 27 HIS HA H 1 4.339 0.030 . 1 . . . . 27 HIS HA . 10307 1 207 . 1 1 27 27 HIS HB2 H 1 3.150 0.030 . 2 . . . . 27 HIS HB2 . 10307 1 208 . 1 1 27 27 HIS HB3 H 1 3.269 0.030 . 2 . . . . 27 HIS HB3 . 10307 1 209 . 1 1 27 27 HIS HD2 H 1 6.913 0.030 . 1 . . . . 27 HIS HD2 . 10307 1 210 . 1 1 27 27 HIS HE1 H 1 7.621 0.030 . 1 . . . . 27 HIS HE1 . 10307 1 211 . 1 1 27 27 HIS C C 13 178.405 0.300 . 1 . . . . 27 HIS C . 10307 1 212 . 1 1 27 27 HIS CA C 13 57.028 0.300 . 1 . . . . 27 HIS CA . 10307 1 213 . 1 1 27 27 HIS CB C 13 31.602 0.300 . 1 . . . . 27 HIS CB . 10307 1 214 . 1 1 27 27 HIS CD2 C 13 117.004 0.300 . 1 . . . . 27 HIS CD2 . 10307 1 215 . 1 1 27 27 HIS CE1 C 13 138.463 0.300 . 1 . . . . 27 HIS CE1 . 10307 1 216 . 1 1 27 27 HIS N N 15 120.051 0.300 . 1 . . . . 27 HIS N . 10307 1 217 . 1 1 28 28 LEU H H 1 6.955 0.030 . 1 . . . . 28 LEU H . 10307 1 218 . 1 1 28 28 LEU HA H 1 3.182 0.030 . 1 . . . . 28 LEU HA . 10307 1 219 . 1 1 28 28 LEU HB2 H 1 1.845 0.030 . 2 . . . . 28 LEU HB2 . 10307 1 220 . 1 1 28 28 LEU HB3 H 1 1.198 0.030 . 2 . . . . 28 LEU HB3 . 10307 1 221 . 1 1 28 28 LEU HD11 H 1 0.973 0.030 . 1 . . . . 28 LEU HD1 . 10307 1 222 . 1 1 28 28 LEU HD12 H 1 0.973 0.030 . 1 . . . . 28 LEU HD1 . 10307 1 223 . 1 1 28 28 LEU HD13 H 1 0.973 0.030 . 1 . . . . 28 LEU HD1 . 10307 1 224 . 1 1 28 28 LEU HD21 H 1 0.978 0.030 . 1 . . . . 28 LEU HD2 . 10307 1 225 . 1 1 28 28 LEU HD22 H 1 0.978 0.030 . 1 . . . . 28 LEU HD2 . 10307 1 226 . 1 1 28 28 LEU HD23 H 1 0.978 0.030 . 1 . . . . 28 LEU HD2 . 10307 1 227 . 1 1 28 28 LEU HG H 1 1.419 0.030 . 1 . . . . 28 LEU HG . 10307 1 228 . 1 1 28 28 LEU C C 13 177.293 0.300 . 1 . . . . 28 LEU C . 10307 1 229 . 1 1 28 28 LEU CA C 13 57.672 0.300 . 1 . . . . 28 LEU CA . 10307 1 230 . 1 1 28 28 LEU CB C 13 40.058 0.300 . 1 . . . . 28 LEU CB . 10307 1 231 . 1 1 28 28 LEU CD1 C 13 26.500 0.300 . 2 . . . . 28 LEU CD1 . 10307 1 232 . 1 1 28 28 LEU CD2 C 13 22.538 0.300 . 2 . . . . 28 LEU CD2 . 10307 1 233 . 1 1 28 28 LEU CG C 13 27.681 0.300 . 1 . . . . 28 LEU CG . 10307 1 234 . 1 1 28 28 LEU N N 15 121.354 0.300 . 1 . . . . 28 LEU N . 10307 1 235 . 1 1 29 29 ASN H H 1 8.042 0.030 . 1 . . . . 29 ASN H . 10307 1 236 . 1 1 29 29 ASN HA H 1 4.188 0.030 . 1 . . . . 29 ASN HA . 10307 1 237 . 1 1 29 29 ASN HB2 H 1 2.671 0.030 . 2 . . . . 29 ASN HB2 . 10307 1 238 . 1 1 29 29 ASN HB3 H 1 2.592 0.030 . 2 . . . . 29 ASN HB3 . 10307 1 239 . 1 1 29 29 ASN HD21 H 1 6.577 0.030 . 2 . . . . 29 ASN HD21 . 10307 1 240 . 1 1 29 29 ASN HD22 H 1 7.530 0.030 . 2 . . . . 29 ASN HD22 . 10307 1 241 . 1 1 29 29 ASN C C 13 177.876 0.300 . 1 . . . . 29 ASN C . 10307 1 242 . 1 1 29 29 ASN CA C 13 56.225 0.300 . 1 . . . . 29 ASN CA . 10307 1 243 . 1 1 29 29 ASN CB C 13 37.560 0.300 . 1 . . . . 29 ASN CB . 10307 1 244 . 1 1 29 29 ASN N N 15 117.982 0.300 . 1 . . . . 29 ASN N . 10307 1 245 . 1 1 29 29 ASN ND2 N 15 111.475 0.300 . 1 . . . . 29 ASN ND2 . 10307 1 246 . 1 1 30 30 GLU H H 1 7.722 0.030 . 1 . . . . 30 GLU H . 10307 1 247 . 1 1 30 30 GLU HA H 1 3.876 0.030 . 1 . . . . 30 GLU HA . 10307 1 248 . 1 1 30 30 GLU HB2 H 1 1.924 0.030 . 1 . . . . 30 GLU HB2 . 10307 1 249 . 1 1 30 30 GLU HB3 H 1 1.924 0.030 . 1 . . . . 30 GLU HB3 . 10307 1 250 . 1 1 30 30 GLU HG2 H 1 2.280 0.030 . 2 . . . . 30 GLU HG2 . 10307 1 251 . 1 1 30 30 GLU HG3 H 1 2.194 0.030 . 2 . . . . 30 GLU HG3 . 10307 1 252 . 1 1 30 30 GLU C C 13 178.808 0.300 . 1 . . . . 30 GLU C . 10307 1 253 . 1 1 30 30 GLU CA C 13 58.885 0.300 . 1 . . . . 30 GLU CA . 10307 1 254 . 1 1 30 30 GLU CB C 13 29.532 0.300 . 1 . . . . 30 GLU CB . 10307 1 255 . 1 1 30 30 GLU CG C 13 35.950 0.300 . 1 . . . . 30 GLU CG . 10307 1 256 . 1 1 30 30 GLU N N 15 118.536 0.300 . 1 . . . . 30 GLU N . 10307 1 257 . 1 1 31 31 HIS H H 1 7.592 0.030 . 1 . . . . 31 HIS H . 10307 1 258 . 1 1 31 31 HIS HA H 1 4.155 0.030 . 1 . . . . 31 HIS HA . 10307 1 259 . 1 1 31 31 HIS HB2 H 1 3.091 0.030 . 2 . . . . 31 HIS HB2 . 10307 1 260 . 1 1 31 31 HIS HB3 H 1 2.862 0.030 . 2 . . . . 31 HIS HB3 . 10307 1 261 . 1 1 31 31 HIS HD2 H 1 6.901 0.030 . 1 . . . . 31 HIS HD2 . 10307 1 262 . 1 1 31 31 HIS HE1 H 1 7.971 0.030 . 1 . . . . 31 HIS HE1 . 10307 1 263 . 1 1 31 31 HIS C C 13 176.165 0.300 . 1 . . . . 31 HIS C . 10307 1 264 . 1 1 31 31 HIS CA C 13 59.027 0.300 . 1 . . . . 31 HIS CA . 10307 1 265 . 1 1 31 31 HIS CB C 13 28.558 0.300 . 1 . . . . 31 HIS CB . 10307 1 266 . 1 1 31 31 HIS CD2 C 13 127.151 0.300 . 1 . . . . 31 HIS CD2 . 10307 1 267 . 1 1 31 31 HIS CE1 C 13 139.652 0.300 . 1 . . . . 31 HIS CE1 . 10307 1 268 . 1 1 31 31 HIS N N 15 119.505 0.300 . 1 . . . . 31 HIS N . 10307 1 269 . 1 1 32 32 ARG H H 1 8.184 0.030 . 1 . . . . 32 ARG H . 10307 1 270 . 1 1 32 32 ARG HA H 1 3.576 0.030 . 1 . . . . 32 ARG HA . 10307 1 271 . 1 1 32 32 ARG HB2 H 1 1.942 0.030 . 2 . . . . 32 ARG HB2 . 10307 1 272 . 1 1 32 32 ARG HB3 H 1 1.861 0.030 . 2 . . . . 32 ARG HB3 . 10307 1 273 . 1 1 32 32 ARG HD2 H 1 3.332 0.030 . 2 . . . . 32 ARG HD2 . 10307 1 274 . 1 1 32 32 ARG HD3 H 1 3.238 0.030 . 2 . . . . 32 ARG HD3 . 10307 1 275 . 1 1 32 32 ARG HG2 H 1 2.051 0.030 . 1 . . . . 32 ARG HG2 . 10307 1 276 . 1 1 32 32 ARG HG3 H 1 2.051 0.030 . 1 . . . . 32 ARG HG3 . 10307 1 277 . 1 1 32 32 ARG C C 13 177.327 0.300 . 1 . . . . 32 ARG C . 10307 1 278 . 1 1 32 32 ARG CA C 13 59.787 0.300 . 1 . . . . 32 ARG CA . 10307 1 279 . 1 1 32 32 ARG CB C 13 29.919 0.300 . 1 . . . . 32 ARG CB . 10307 1 280 . 1 1 32 32 ARG CD C 13 43.641 0.300 . 1 . . . . 32 ARG CD . 10307 1 281 . 1 1 32 32 ARG CG C 13 28.689 0.300 . 1 . . . . 32 ARG CG . 10307 1 282 . 1 1 32 32 ARG N N 15 115.136 0.300 . 1 . . . . 32 ARG N . 10307 1 283 . 1 1 33 33 ARG H H 1 6.990 0.030 . 1 . . . . 33 ARG H . 10307 1 284 . 1 1 33 33 ARG HA H 1 3.954 0.030 . 1 . . . . 33 ARG HA . 10307 1 285 . 1 1 33 33 ARG HB2 H 1 1.667 0.030 . 2 . . . . 33 ARG HB2 . 10307 1 286 . 1 1 33 33 ARG HB3 H 1 1.759 0.030 . 2 . . . . 33 ARG HB3 . 10307 1 287 . 1 1 33 33 ARG HD2 H 1 3.075 0.030 . 1 . . . . 33 ARG HD2 . 10307 1 288 . 1 1 33 33 ARG HD3 H 1 3.075 0.030 . 1 . . . . 33 ARG HD3 . 10307 1 289 . 1 1 33 33 ARG HG2 H 1 1.718 0.030 . 2 . . . . 33 ARG HG2 . 10307 1 290 . 1 1 33 33 ARG HG3 H 1 1.521 0.030 . 2 . . . . 33 ARG HG3 . 10307 1 291 . 1 1 33 33 ARG C C 13 178.254 0.300 . 1 . . . . 33 ARG C . 10307 1 292 . 1 1 33 33 ARG CA C 13 58.371 0.300 . 1 . . . . 33 ARG CA . 10307 1 293 . 1 1 33 33 ARG CB C 13 30.087 0.300 . 1 . . . . 33 ARG CB . 10307 1 294 . 1 1 33 33 ARG CD C 13 43.519 0.300 . 1 . . . . 33 ARG CD . 10307 1 295 . 1 1 33 33 ARG CG C 13 27.370 0.300 . 1 . . . . 33 ARG CG . 10307 1 296 . 1 1 33 33 ARG N N 15 117.022 0.300 . 1 . . . . 33 ARG N . 10307 1 297 . 1 1 34 34 ILE H H 1 7.694 0.030 . 1 . . . . 34 ILE H . 10307 1 298 . 1 1 34 34 ILE HA H 1 3.956 0.030 . 1 . . . . 34 ILE HA . 10307 1 299 . 1 1 34 34 ILE HB H 1 1.650 0.030 . 1 . . . . 34 ILE HB . 10307 1 300 . 1 1 34 34 ILE HD11 H 1 0.628 0.030 . 1 . . . . 34 ILE HD1 . 10307 1 301 . 1 1 34 34 ILE HD12 H 1 0.628 0.030 . 1 . . . . 34 ILE HD1 . 10307 1 302 . 1 1 34 34 ILE HD13 H 1 0.628 0.030 . 1 . . . . 34 ILE HD1 . 10307 1 303 . 1 1 34 34 ILE HG12 H 1 0.854 0.030 . 2 . . . . 34 ILE HG12 . 10307 1 304 . 1 1 34 34 ILE HG13 H 1 0.613 0.030 . 2 . . . . 34 ILE HG13 . 10307 1 305 . 1 1 34 34 ILE HG21 H 1 0.518 0.030 . 1 . . . . 34 ILE HG2 . 10307 1 306 . 1 1 34 34 ILE HG22 H 1 0.518 0.030 . 1 . . . . 34 ILE HG2 . 10307 1 307 . 1 1 34 34 ILE HG23 H 1 0.518 0.030 . 1 . . . . 34 ILE HG2 . 10307 1 308 . 1 1 34 34 ILE C C 13 177.149 0.300 . 1 . . . . 34 ILE C . 10307 1 309 . 1 1 34 34 ILE CA C 13 62.804 0.300 . 1 . . . . 34 ILE CA . 10307 1 310 . 1 1 34 34 ILE CB C 13 37.699 0.300 . 1 . . . . 34 ILE CB . 10307 1 311 . 1 1 34 34 ILE CD1 C 13 14.421 0.300 . 1 . . . . 34 ILE CD1 . 10307 1 312 . 1 1 34 34 ILE CG1 C 13 26.291 0.300 . 1 . . . . 34 ILE CG1 . 10307 1 313 . 1 1 34 34 ILE CG2 C 13 16.429 0.300 . 1 . . . . 34 ILE CG2 . 10307 1 314 . 1 1 34 34 ILE N N 15 115.313 0.300 . 1 . . . . 34 ILE N . 10307 1 315 . 1 1 35 35 HIS H H 1 7.264 0.030 . 1 . . . . 35 HIS H . 10307 1 316 . 1 1 35 35 HIS HA H 1 4.859 0.030 . 1 . . . . 35 HIS HA . 10307 1 317 . 1 1 35 35 HIS HB2 H 1 3.151 0.030 . 2 . . . . 35 HIS HB2 . 10307 1 318 . 1 1 35 35 HIS HB3 H 1 3.292 0.030 . 2 . . . . 35 HIS HB3 . 10307 1 319 . 1 1 35 35 HIS HD2 H 1 6.649 0.030 . 1 . . . . 35 HIS HD2 . 10307 1 320 . 1 1 35 35 HIS HE1 H 1 8.012 0.030 . 1 . . . . 35 HIS HE1 . 10307 1 321 . 1 1 35 35 HIS C C 13 175.464 0.300 . 1 . . . . 35 HIS C . 10307 1 322 . 1 1 35 35 HIS CA C 13 54.893 0.300 . 1 . . . . 35 HIS CA . 10307 1 323 . 1 1 35 35 HIS CB C 13 28.543 0.300 . 1 . . . . 35 HIS CB . 10307 1 324 . 1 1 35 35 HIS CD2 C 13 127.568 0.300 . 1 . . . . 35 HIS CD2 . 10307 1 325 . 1 1 35 35 HIS CE1 C 13 140.073 0.300 . 1 . . . . 35 HIS CE1 . 10307 1 326 . 1 1 35 35 HIS N N 15 118.417 0.300 . 1 . . . . 35 HIS N . 10307 1 327 . 1 1 36 36 THR H H 1 7.871 0.030 . 1 . . . . 36 THR H . 10307 1 328 . 1 1 36 36 THR HA H 1 4.268 0.030 . 1 . . . . 36 THR HA . 10307 1 329 . 1 1 36 36 THR HB H 1 4.226 0.030 . 1 . . . . 36 THR HB . 10307 1 330 . 1 1 36 36 THR HG21 H 1 1.177 0.030 . 1 . . . . 36 THR HG2 . 10307 1 331 . 1 1 36 36 THR HG22 H 1 1.177 0.030 . 1 . . . . 36 THR HG2 . 10307 1 332 . 1 1 36 36 THR HG23 H 1 1.177 0.030 . 1 . . . . 36 THR HG2 . 10307 1 333 . 1 1 36 36 THR C C 13 175.331 0.300 . 1 . . . . 36 THR C . 10307 1 334 . 1 1 36 36 THR CA C 13 62.564 0.300 . 1 . . . . 36 THR CA . 10307 1 335 . 1 1 36 36 THR CB C 13 69.679 0.300 . 1 . . . . 36 THR CB . 10307 1 336 . 1 1 36 36 THR CG2 C 13 21.483 0.300 . 1 . . . . 36 THR CG2 . 10307 1 337 . 1 1 36 36 THR N N 15 112.783 0.300 . 1 . . . . 36 THR N . 10307 1 338 . 1 1 37 37 GLY H H 1 8.329 0.030 . 1 . . . . 37 GLY H . 10307 1 339 . 1 1 37 37 GLY HA2 H 1 3.907 0.030 . 1 . . . . 37 GLY HA2 . 10307 1 340 . 1 1 37 37 GLY HA3 H 1 3.907 0.030 . 1 . . . . 37 GLY HA3 . 10307 1 341 . 1 1 37 37 GLY C C 13 173.707 0.300 . 1 . . . . 37 GLY C . 10307 1 342 . 1 1 37 37 GLY CA C 13 45.142 0.300 . 1 . . . . 37 GLY CA . 10307 1 343 . 1 1 37 37 GLY N N 15 110.825 0.300 . 1 . . . . 37 GLY N . 10307 1 344 . 1 1 38 38 TYR H H 1 7.904 0.030 . 1 . . . . 38 TYR H . 10307 1 345 . 1 1 38 38 TYR HA H 1 4.399 0.030 . 1 . . . . 38 TYR HA . 10307 1 346 . 1 1 38 38 TYR HB2 H 1 2.964 0.030 . 2 . . . . 38 TYR HB2 . 10307 1 347 . 1 1 38 38 TYR HB3 H 1 2.814 0.030 . 2 . . . . 38 TYR HB3 . 10307 1 348 . 1 1 38 38 TYR HD1 H 1 6.995 0.030 . 1 . . . . 38 TYR HD1 . 10307 1 349 . 1 1 38 38 TYR HD2 H 1 6.995 0.030 . 1 . . . . 38 TYR HD2 . 10307 1 350 . 1 1 38 38 TYR HE1 H 1 6.726 0.030 . 1 . . . . 38 TYR HE1 . 10307 1 351 . 1 1 38 38 TYR HE2 H 1 6.726 0.030 . 1 . . . . 38 TYR HE2 . 10307 1 352 . 1 1 38 38 TYR C C 13 175.165 0.300 . 1 . . . . 38 TYR C . 10307 1 353 . 1 1 38 38 TYR CA C 13 58.302 0.300 . 1 . . . . 38 TYR CA . 10307 1 354 . 1 1 38 38 TYR CB C 13 38.780 0.300 . 1 . . . . 38 TYR CB . 10307 1 355 . 1 1 38 38 TYR CD1 C 13 133.084 0.300 . 1 . . . . 38 TYR CD1 . 10307 1 356 . 1 1 38 38 TYR CD2 C 13 133.084 0.300 . 1 . . . . 38 TYR CD2 . 10307 1 357 . 1 1 38 38 TYR CE1 C 13 118.026 0.300 . 1 . . . . 38 TYR CE1 . 10307 1 358 . 1 1 38 38 TYR CE2 C 13 118.026 0.300 . 1 . . . . 38 TYR CE2 . 10307 1 359 . 1 1 38 38 TYR N N 15 120.687 0.300 . 1 . . . . 38 TYR N . 10307 1 360 . 1 1 39 39 ARG H H 1 7.979 0.030 . 1 . . . . 39 ARG H . 10307 1 361 . 1 1 39 39 ARG HA H 1 4.470 0.030 . 1 . . . . 39 ARG HA . 10307 1 362 . 1 1 39 39 ARG HB2 H 1 1.550 0.030 . 2 . . . . 39 ARG HB2 . 10307 1 363 . 1 1 39 39 ARG HB3 H 1 1.659 0.030 . 2 . . . . 39 ARG HB3 . 10307 1 364 . 1 1 39 39 ARG C C 13 173.300 0.300 . 1 . . . . 39 ARG C . 10307 1 365 . 1 1 39 39 ARG CA C 13 53.033 0.300 . 1 . . . . 39 ARG CA . 10307 1 366 . 1 1 39 39 ARG CB C 13 30.739 0.300 . 1 . . . . 39 ARG CB . 10307 1 367 . 1 1 39 39 ARG N N 15 126.228 0.300 . 1 . . . . 39 ARG N . 10307 1 368 . 1 1 40 40 PRO HA H 1 4.283 0.030 . 1 . . . . 40 PRO HA . 10307 1 369 . 1 1 40 40 PRO HB2 H 1 2.252 0.030 . 2 . . . . 40 PRO HB2 . 10307 1 370 . 1 1 40 40 PRO HB3 H 1 1.891 0.030 . 2 . . . . 40 PRO HB3 . 10307 1 371 . 1 1 40 40 PRO HD2 H 1 3.506 0.030 . 2 . . . . 40 PRO HD2 . 10307 1 372 . 1 1 40 40 PRO HD3 H 1 3.442 0.030 . 2 . . . . 40 PRO HD3 . 10307 1 373 . 1 1 40 40 PRO HG2 H 1 1.922 0.030 . 1 . . . . 40 PRO HG2 . 10307 1 374 . 1 1 40 40 PRO HG3 H 1 1.922 0.030 . 1 . . . . 40 PRO HG3 . 10307 1 375 . 1 1 40 40 PRO C C 13 176.834 0.300 . 1 . . . . 40 PRO C . 10307 1 376 . 1 1 40 40 PRO CA C 13 62.987 0.300 . 1 . . . . 40 PRO CA . 10307 1 377 . 1 1 40 40 PRO CB C 13 32.092 0.300 . 1 . . . . 40 PRO CB . 10307 1 378 . 1 1 40 40 PRO CD C 13 50.524 0.300 . 1 . . . . 40 PRO CD . 10307 1 379 . 1 1 40 40 PRO CG C 13 27.181 0.300 . 1 . . . . 40 PRO CG . 10307 1 380 . 1 1 41 41 SER H H 1 8.358 0.030 . 1 . . . . 41 SER H . 10307 1 381 . 1 1 41 41 SER HA H 1 4.439 0.030 . 1 . . . . 41 SER HA . 10307 1 382 . 1 1 41 41 SER HB2 H 1 3.798 0.030 . 1 . . . . 41 SER HB2 . 10307 1 383 . 1 1 41 41 SER HB3 H 1 3.798 0.030 . 1 . . . . 41 SER HB3 . 10307 1 384 . 1 1 41 41 SER C C 13 174.536 0.300 . 1 . . . . 41 SER C . 10307 1 385 . 1 1 41 41 SER CA C 13 58.275 0.300 . 1 . . . . 41 SER CA . 10307 1 386 . 1 1 41 41 SER CB C 13 63.938 0.300 . 1 . . . . 41 SER CB . 10307 1 387 . 1 1 41 41 SER N N 15 116.030 0.300 . 1 . . . . 41 SER N . 10307 1 388 . 1 1 42 42 GLY HA2 H 1 4.073 0.030 . 1 . . . . 42 GLY HA2 . 10307 1 389 . 1 1 42 42 GLY HA3 H 1 4.073 0.030 . 1 . . . . 42 GLY HA3 . 10307 1 390 . 1 1 42 42 GLY CA C 13 44.605 0.300 . 1 . . . . 42 GLY CA . 10307 1 391 . 1 1 43 43 PRO HA H 1 4.417 0.030 . 1 . . . . 43 PRO HA . 10307 1 392 . 1 1 43 43 PRO HB2 H 1 2.237 0.030 . 2 . . . . 43 PRO HB2 . 10307 1 393 . 1 1 43 43 PRO HB3 H 1 1.914 0.030 . 2 . . . . 43 PRO HB3 . 10307 1 394 . 1 1 43 43 PRO HD2 H 1 3.565 0.030 . 1 . . . . 43 PRO HD2 . 10307 1 395 . 1 1 43 43 PRO HD3 H 1 3.565 0.030 . 1 . . . . 43 PRO HD3 . 10307 1 396 . 1 1 43 43 PRO HG2 H 1 1.953 0.030 . 1 . . . . 43 PRO HG2 . 10307 1 397 . 1 1 43 43 PRO HG3 H 1 1.953 0.030 . 1 . . . . 43 PRO HG3 . 10307 1 398 . 1 1 43 43 PRO CA C 13 63.232 0.300 . 1 . . . . 43 PRO CA . 10307 1 399 . 1 1 43 43 PRO CB C 13 32.155 0.300 . 1 . . . . 43 PRO CB . 10307 1 400 . 1 1 43 43 PRO CD C 13 49.726 0.300 . 1 . . . . 43 PRO CD . 10307 1 401 . 1 1 43 43 PRO CG C 13 27.109 0.300 . 1 . . . . 43 PRO CG . 10307 1 402 . 1 1 45 45 SER HA H 1 4.462 0.030 . 1 . . . . 45 SER HA . 10307 1 403 . 1 1 45 45 SER HB2 H 1 3.854 0.030 . 1 . . . . 45 SER HB2 . 10307 1 404 . 1 1 45 45 SER HB3 H 1 3.854 0.030 . 1 . . . . 45 SER HB3 . 10307 1 405 . 1 1 45 45 SER C C 13 173.879 0.300 . 1 . . . . 45 SER C . 10307 1 406 . 1 1 45 45 SER CA C 13 58.355 0.300 . 1 . . . . 45 SER CA . 10307 1 407 . 1 1 45 45 SER CB C 13 63.904 0.300 . 1 . . . . 45 SER CB . 10307 1 408 . 1 1 46 46 GLY H H 1 8.013 0.030 . 1 . . . . 46 GLY H . 10307 1 409 . 1 1 46 46 GLY HA2 H 1 3.693 0.030 . 2 . . . . 46 GLY HA2 . 10307 1 410 . 1 1 46 46 GLY HA3 H 1 3.738 0.030 . 2 . . . . 46 GLY HA3 . 10307 1 411 . 1 1 46 46 GLY C C 13 178.962 0.300 . 1 . . . . 46 GLY C . 10307 1 412 . 1 1 46 46 GLY CA C 13 46.160 0.300 . 1 . . . . 46 GLY CA . 10307 1 413 . 1 1 46 46 GLY N N 15 116.805 0.300 . 1 . . . . 46 GLY N . 10307 1 stop_ save_