################################### # 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 10303 _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 10303 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10303 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 7 7 GLY HA3 H 1 4.040 0.030 . 2 . . . . 7 GLY HA3 . 10303 1 2 . 1 1 7 7 GLY C C 13 174.567 0.300 . 1 . . . . 7 GLY C . 10303 1 3 . 1 1 7 7 GLY CA C 13 45.375 0.300 . 1 . . . . 7 GLY CA . 10303 1 4 . 1 1 8 8 THR H H 1 8.140 0.030 . 1 . . . . 8 THR H . 10303 1 5 . 1 1 8 8 THR HA H 1 4.372 0.030 . 1 . . . . 8 THR HA . 10303 1 6 . 1 1 8 8 THR HB H 1 4.290 0.030 . 1 . . . . 8 THR HB . 10303 1 7 . 1 1 8 8 THR HG21 H 1 1.185 0.030 . 1 . . . . 8 THR HG2 . 10303 1 8 . 1 1 8 8 THR HG22 H 1 1.185 0.030 . 1 . . . . 8 THR HG2 . 10303 1 9 . 1 1 8 8 THR HG23 H 1 1.185 0.030 . 1 . . . . 8 THR HG2 . 10303 1 10 . 1 1 8 8 THR C C 13 175.298 0.300 . 1 . . . . 8 THR C . 10303 1 11 . 1 1 8 8 THR CA C 13 61.817 0.300 . 1 . . . . 8 THR CA . 10303 1 12 . 1 1 8 8 THR CB C 13 69.876 0.300 . 1 . . . . 8 THR CB . 10303 1 13 . 1 1 8 8 THR CG2 C 13 21.516 0.300 . 1 . . . . 8 THR CG2 . 10303 1 14 . 1 1 8 8 THR N N 15 112.821 0.300 . 1 . . . . 8 THR N . 10303 1 15 . 1 1 9 9 GLY H H 1 8.439 0.030 . 1 . . . . 9 GLY H . 10303 1 16 . 1 1 9 9 GLY HA2 H 1 3.911 0.030 . 2 . . . . 9 GLY HA2 . 10303 1 17 . 1 1 9 9 GLY HA3 H 1 3.965 0.030 . 2 . . . . 9 GLY HA3 . 10303 1 18 . 1 1 9 9 GLY C C 13 174.075 0.300 . 1 . . . . 9 GLY C . 10303 1 19 . 1 1 9 9 GLY CA C 13 45.286 0.300 . 1 . . . . 9 GLY CA . 10303 1 20 . 1 1 9 9 GLY N N 15 110.958 0.300 . 1 . . . . 9 GLY N . 10303 1 21 . 1 1 10 10 GLU H H 1 8.212 0.030 . 1 . . . . 10 GLU H . 10303 1 22 . 1 1 10 10 GLU HA H 1 4.178 0.030 . 1 . . . . 10 GLU HA . 10303 1 23 . 1 1 10 10 GLU HB2 H 1 1.886 0.030 . 2 . . . . 10 GLU HB2 . 10303 1 24 . 1 1 10 10 GLU HB3 H 1 1.980 0.030 . 2 . . . . 10 GLU HB3 . 10303 1 25 . 1 1 10 10 GLU HG2 H 1 2.200 0.030 . 2 . . . . 10 GLU HG2 . 10303 1 26 . 1 1 10 10 GLU HG3 H 1 2.246 0.030 . 2 . . . . 10 GLU HG3 . 10303 1 27 . 1 1 10 10 GLU C C 13 176.504 0.300 . 1 . . . . 10 GLU C . 10303 1 28 . 1 1 10 10 GLU CA C 13 56.885 0.300 . 1 . . . . 10 GLU CA . 10303 1 29 . 1 1 10 10 GLU CB C 13 30.436 0.300 . 1 . . . . 10 GLU CB . 10303 1 30 . 1 1 10 10 GLU CG C 13 36.302 0.300 . 1 . . . . 10 GLU CG . 10303 1 31 . 1 1 10 10 GLU N N 15 120.168 0.300 . 1 . . . . 10 GLU N . 10303 1 32 . 1 1 11 11 LYS H H 1 8.302 0.030 . 1 . . . . 11 LYS H . 10303 1 33 . 1 1 11 11 LYS HA H 1 4.454 0.030 . 1 . . . . 11 LYS HA . 10303 1 34 . 1 1 11 11 LYS HB2 H 1 1.415 0.030 . 2 . . . . 11 LYS HB2 . 10303 1 35 . 1 1 11 11 LYS HB3 H 1 1.564 0.030 . 2 . . . . 11 LYS HB3 . 10303 1 36 . 1 1 11 11 LYS HD2 H 1 1.487 0.030 . 1 . . . . 11 LYS HD2 . 10303 1 37 . 1 1 11 11 LYS HD3 H 1 1.487 0.030 . 1 . . . . 11 LYS HD3 . 10303 1 38 . 1 1 11 11 LYS HE2 H 1 2.904 0.030 . 1 . . . . 11 LYS HE2 . 10303 1 39 . 1 1 11 11 LYS HE3 H 1 2.904 0.030 . 1 . . . . 11 LYS HE3 . 10303 1 40 . 1 1 11 11 LYS HG2 H 1 1.186 0.030 . 2 . . . . 11 LYS HG2 . 10303 1 41 . 1 1 11 11 LYS HG3 H 1 1.290 0.030 . 2 . . . . 11 LYS HG3 . 10303 1 42 . 1 1 11 11 LYS C C 13 173.743 0.300 . 1 . . . . 11 LYS C . 10303 1 43 . 1 1 11 11 LYS CA C 13 53.820 0.300 . 1 . . . . 11 LYS CA . 10303 1 44 . 1 1 11 11 LYS CB C 13 33.080 0.300 . 1 . . . . 11 LYS CB . 10303 1 45 . 1 1 11 11 LYS CD C 13 29.406 0.300 . 1 . . . . 11 LYS CD . 10303 1 46 . 1 1 11 11 LYS CE C 13 42.227 0.300 . 1 . . . . 11 LYS CE . 10303 1 47 . 1 1 11 11 LYS CG C 13 24.654 0.300 . 1 . . . . 11 LYS CG . 10303 1 48 . 1 1 11 11 LYS N N 15 121.757 0.300 . 1 . . . . 11 LYS N . 10303 1 49 . 1 1 12 12 PRO HA H 1 4.256 0.030 . 1 . . . . 12 PRO HA . 10303 1 50 . 1 1 12 12 PRO HB2 H 1 1.993 0.030 . 2 . . . . 12 PRO HB2 . 10303 1 51 . 1 1 12 12 PRO HB3 H 1 1.240 0.030 . 2 . . . . 12 PRO HB3 . 10303 1 52 . 1 1 12 12 PRO HD2 H 1 3.552 0.030 . 1 . . . . 12 PRO HD2 . 10303 1 53 . 1 1 12 12 PRO HD3 H 1 3.552 0.030 . 1 . . . . 12 PRO HD3 . 10303 1 54 . 1 1 12 12 PRO HG2 H 1 1.518 0.030 . 2 . . . . 12 PRO HG2 . 10303 1 55 . 1 1 12 12 PRO HG3 H 1 1.752 0.030 . 2 . . . . 12 PRO HG3 . 10303 1 56 . 1 1 12 12 PRO C C 13 176.343 0.300 . 1 . . . . 12 PRO C . 10303 1 57 . 1 1 12 12 PRO CA C 13 63.383 0.300 . 1 . . . . 12 PRO CA . 10303 1 58 . 1 1 12 12 PRO CB C 13 32.270 0.300 . 1 . . . . 12 PRO CB . 10303 1 59 . 1 1 12 12 PRO CD C 13 50.215 0.300 . 1 . . . . 12 PRO CD . 10303 1 60 . 1 1 12 12 PRO CG C 13 26.639 0.300 . 1 . . . . 12 PRO CG . 10303 1 61 . 1 1 13 13 TYR H H 1 7.912 0.030 . 1 . . . . 13 TYR H . 10303 1 62 . 1 1 13 13 TYR HA H 1 4.627 0.030 . 1 . . . . 13 TYR HA . 10303 1 63 . 1 1 13 13 TYR HB2 H 1 2.808 0.030 . 2 . . . . 13 TYR HB2 . 10303 1 64 . 1 1 13 13 TYR HB3 H 1 2.965 0.030 . 2 . . . . 13 TYR HB3 . 10303 1 65 . 1 1 13 13 TYR HD1 H 1 6.970 0.030 . 1 . . . . 13 TYR HD1 . 10303 1 66 . 1 1 13 13 TYR HD2 H 1 6.970 0.030 . 1 . . . . 13 TYR HD2 . 10303 1 67 . 1 1 13 13 TYR HE1 H 1 6.847 0.030 . 1 . . . . 13 TYR HE1 . 10303 1 68 . 1 1 13 13 TYR HE2 H 1 6.847 0.030 . 1 . . . . 13 TYR HE2 . 10303 1 69 . 1 1 13 13 TYR C C 13 174.625 0.300 . 1 . . . . 13 TYR C . 10303 1 70 . 1 1 13 13 TYR CA C 13 57.307 0.300 . 1 . . . . 13 TYR CA . 10303 1 71 . 1 1 13 13 TYR CB C 13 38.416 0.300 . 1 . . . . 13 TYR CB . 10303 1 72 . 1 1 13 13 TYR CD1 C 13 133.078 0.300 . 1 . . . . 13 TYR CD1 . 10303 1 73 . 1 1 13 13 TYR CD2 C 13 133.078 0.300 . 1 . . . . 13 TYR CD2 . 10303 1 74 . 1 1 13 13 TYR CE1 C 13 118.407 0.300 . 1 . . . . 13 TYR CE1 . 10303 1 75 . 1 1 13 13 TYR CE2 C 13 118.407 0.300 . 1 . . . . 13 TYR CE2 . 10303 1 76 . 1 1 13 13 TYR N N 15 118.410 0.300 . 1 . . . . 13 TYR N . 10303 1 77 . 1 1 14 14 GLU H H 1 8.568 0.030 . 1 . . . . 14 GLU H . 10303 1 78 . 1 1 14 14 GLU HA H 1 4.916 0.030 . 1 . . . . 14 GLU HA . 10303 1 79 . 1 1 14 14 GLU HB2 H 1 1.806 0.030 . 1 . . . . 14 GLU HB2 . 10303 1 80 . 1 1 14 14 GLU HB3 H 1 1.806 0.030 . 1 . . . . 14 GLU HB3 . 10303 1 81 . 1 1 14 14 GLU HG2 H 1 1.926 0.030 . 2 . . . . 14 GLU HG2 . 10303 1 82 . 1 1 14 14 GLU HG3 H 1 2.004 0.030 . 2 . . . . 14 GLU HG3 . 10303 1 83 . 1 1 14 14 GLU C C 13 175.505 0.300 . 1 . . . . 14 GLU C . 10303 1 84 . 1 1 14 14 GLU CA C 13 54.945 0.300 . 1 . . . . 14 GLU CA . 10303 1 85 . 1 1 14 14 GLU CB C 13 32.871 0.300 . 1 . . . . 14 GLU CB . 10303 1 86 . 1 1 14 14 GLU CG C 13 36.585 0.300 . 1 . . . . 14 GLU CG . 10303 1 87 . 1 1 14 14 GLU N N 15 123.986 0.300 . 1 . . . . 14 GLU N . 10303 1 88 . 1 1 15 15 CYS H H 1 9.295 0.030 . 1 . . . . 15 CYS H . 10303 1 89 . 1 1 15 15 CYS HA H 1 4.553 0.030 . 1 . . . . 15 CYS HA . 10303 1 90 . 1 1 15 15 CYS HB2 H 1 2.895 0.030 . 2 . . . . 15 CYS HB2 . 10303 1 91 . 1 1 15 15 CYS HB3 H 1 3.423 0.030 . 2 . . . . 15 CYS HB3 . 10303 1 92 . 1 1 15 15 CYS C C 13 177.458 0.300 . 1 . . . . 15 CYS C . 10303 1 93 . 1 1 15 15 CYS CA C 13 59.694 0.300 . 1 . . . . 15 CYS CA . 10303 1 94 . 1 1 15 15 CYS CB C 13 29.570 0.300 . 1 . . . . 15 CYS CB . 10303 1 95 . 1 1 15 15 CYS N N 15 126.641 0.300 . 1 . . . . 15 CYS N . 10303 1 96 . 1 1 16 16 SER HA H 1 4.298 0.030 . 1 . . . . 16 SER HA . 10303 1 97 . 1 1 16 16 SER HB2 H 1 4.045 0.030 . 1 . . . . 16 SER HB2 . 10303 1 98 . 1 1 16 16 SER HB3 H 1 4.045 0.030 . 1 . . . . 16 SER HB3 . 10303 1 99 . 1 1 16 16 SER C C 13 174.313 0.300 . 1 . . . . 16 SER C . 10303 1 100 . 1 1 16 16 SER CA C 13 60.812 0.300 . 1 . . . . 16 SER CA . 10303 1 101 . 1 1 16 16 SER CB C 13 63.035 0.300 . 1 . . . . 16 SER CB . 10303 1 102 . 1 1 17 17 VAL H H 1 8.690 0.030 . 1 . . . . 17 VAL H . 10303 1 103 . 1 1 17 17 VAL HA H 1 3.818 0.030 . 1 . . . . 17 VAL HA . 10303 1 104 . 1 1 17 17 VAL HB H 1 1.202 0.030 . 1 . . . . 17 VAL HB . 10303 1 105 . 1 1 17 17 VAL HG11 H 1 0.799 0.030 . 1 . . . . 17 VAL HG1 . 10303 1 106 . 1 1 17 17 VAL HG12 H 1 0.799 0.030 . 1 . . . . 17 VAL HG1 . 10303 1 107 . 1 1 17 17 VAL HG13 H 1 0.799 0.030 . 1 . . . . 17 VAL HG1 . 10303 1 108 . 1 1 17 17 VAL HG21 H 1 0.306 0.030 . 1 . . . . 17 VAL HG2 . 10303 1 109 . 1 1 17 17 VAL HG22 H 1 0.306 0.030 . 1 . . . . 17 VAL HG2 . 10303 1 110 . 1 1 17 17 VAL HG23 H 1 0.306 0.030 . 1 . . . . 17 VAL HG2 . 10303 1 111 . 1 1 17 17 VAL C C 13 177.029 0.300 . 1 . . . . 17 VAL C . 10303 1 112 . 1 1 17 17 VAL CA C 13 65.085 0.300 . 1 . . . . 17 VAL CA . 10303 1 113 . 1 1 17 17 VAL CB C 13 32.790 0.300 . 1 . . . . 17 VAL CB . 10303 1 114 . 1 1 17 17 VAL CG1 C 13 21.396 0.300 . 2 . . . . 17 VAL CG1 . 10303 1 115 . 1 1 17 17 VAL CG2 C 13 20.145 0.300 . 2 . . . . 17 VAL CG2 . 10303 1 116 . 1 1 17 17 VAL N N 15 124.036 0.300 . 1 . . . . 17 VAL N . 10303 1 117 . 1 1 18 18 CYS H H 1 7.965 0.030 . 1 . . . . 18 CYS H . 10303 1 118 . 1 1 18 18 CYS HA H 1 5.156 0.030 . 1 . . . . 18 CYS HA . 10303 1 119 . 1 1 18 18 CYS HB2 H 1 3.479 0.030 . 2 . . . . 18 CYS HB2 . 10303 1 120 . 1 1 18 18 CYS HB3 H 1 2.786 0.030 . 2 . . . . 18 CYS HB3 . 10303 1 121 . 1 1 18 18 CYS C C 13 176.508 0.300 . 1 . . . . 18 CYS C . 10303 1 122 . 1 1 18 18 CYS CA C 13 58.194 0.300 . 1 . . . . 18 CYS CA . 10303 1 123 . 1 1 18 18 CYS CB C 13 32.757 0.300 . 1 . . . . 18 CYS CB . 10303 1 124 . 1 1 18 18 CYS N N 15 115.267 0.300 . 1 . . . . 18 CYS N . 10303 1 125 . 1 1 19 19 GLY H H 1 8.107 0.030 . 1 . . . . 19 GLY H . 10303 1 126 . 1 1 19 19 GLY HA2 H 1 4.226 0.030 . 2 . . . . 19 GLY HA2 . 10303 1 127 . 1 1 19 19 GLY HA3 H 1 3.867 0.030 . 2 . . . . 19 GLY HA3 . 10303 1 128 . 1 1 19 19 GLY C C 13 173.638 0.300 . 1 . . . . 19 GLY C . 10303 1 129 . 1 1 19 19 GLY CA C 13 46.194 0.300 . 1 . . . . 19 GLY CA . 10303 1 130 . 1 1 19 19 GLY N N 15 113.598 0.300 . 1 . . . . 19 GLY N . 10303 1 131 . 1 1 20 20 LYS H H 1 7.955 0.030 . 1 . . . . 20 LYS H . 10303 1 132 . 1 1 20 20 LYS HA H 1 3.950 0.030 . 1 . . . . 20 LYS HA . 10303 1 133 . 1 1 20 20 LYS HB2 H 1 1.486 0.030 . 2 . . . . 20 LYS HB2 . 10303 1 134 . 1 1 20 20 LYS HB3 H 1 1.224 0.030 . 2 . . . . 20 LYS HB3 . 10303 1 135 . 1 1 20 20 LYS HD2 H 1 1.441 0.030 . 2 . . . . 20 LYS HD2 . 10303 1 136 . 1 1 20 20 LYS HD3 H 1 1.534 0.030 . 2 . . . . 20 LYS HD3 . 10303 1 137 . 1 1 20 20 LYS HE2 H 1 2.894 0.030 . 2 . . . . 20 LYS HE2 . 10303 1 138 . 1 1 20 20 LYS HE3 H 1 2.971 0.030 . 2 . . . . 20 LYS HE3 . 10303 1 139 . 1 1 20 20 LYS HG2 H 1 1.059 0.030 . 2 . . . . 20 LYS HG2 . 10303 1 140 . 1 1 20 20 LYS HG3 H 1 1.370 0.030 . 2 . . . . 20 LYS HG3 . 10303 1 141 . 1 1 20 20 LYS C C 13 173.844 0.300 . 1 . . . . 20 LYS C . 10303 1 142 . 1 1 20 20 LYS CA C 13 58.189 0.300 . 1 . . . . 20 LYS CA . 10303 1 143 . 1 1 20 20 LYS CB C 13 33.594 0.300 . 1 . . . . 20 LYS CB . 10303 1 144 . 1 1 20 20 LYS CD C 13 29.250 0.300 . 1 . . . . 20 LYS CD . 10303 1 145 . 1 1 20 20 LYS CE C 13 42.228 0.300 . 1 . . . . 20 LYS CE . 10303 1 146 . 1 1 20 20 LYS CG C 13 26.101 0.300 . 1 . . . . 20 LYS CG . 10303 1 147 . 1 1 20 20 LYS N N 15 123.004 0.300 . 1 . . . . 20 LYS N . 10303 1 148 . 1 1 21 21 ALA H H 1 7.830 0.030 . 1 . . . . 21 ALA H . 10303 1 149 . 1 1 21 21 ALA HA H 1 5.136 0.030 . 1 . . . . 21 ALA HA . 10303 1 150 . 1 1 21 21 ALA HB1 H 1 1.236 0.030 . 1 . . . . 21 ALA HB . 10303 1 151 . 1 1 21 21 ALA HB2 H 1 1.236 0.030 . 1 . . . . 21 ALA HB . 10303 1 152 . 1 1 21 21 ALA HB3 H 1 1.236 0.030 . 1 . . . . 21 ALA HB . 10303 1 153 . 1 1 21 21 ALA C C 13 176.425 0.300 . 1 . . . . 21 ALA C . 10303 1 154 . 1 1 21 21 ALA CA C 13 50.556 0.300 . 1 . . . . 21 ALA CA . 10303 1 155 . 1 1 21 21 ALA CB C 13 22.069 0.300 . 1 . . . . 21 ALA CB . 10303 1 156 . 1 1 21 21 ALA N N 15 124.594 0.300 . 1 . . . . 21 ALA N . 10303 1 157 . 1 1 22 22 PHE H H 1 8.694 0.030 . 1 . . . . 22 PHE H . 10303 1 158 . 1 1 22 22 PHE HA H 1 4.710 0.030 . 1 . . . . 22 PHE HA . 10303 1 159 . 1 1 22 22 PHE HB2 H 1 3.434 0.030 . 2 . . . . 22 PHE HB2 . 10303 1 160 . 1 1 22 22 PHE HB3 H 1 2.703 0.030 . 2 . . . . 22 PHE HB3 . 10303 1 161 . 1 1 22 22 PHE HD1 H 1 7.248 0.030 . 1 . . . . 22 PHE HD1 . 10303 1 162 . 1 1 22 22 PHE HD2 H 1 7.248 0.030 . 1 . . . . 22 PHE HD2 . 10303 1 163 . 1 1 22 22 PHE HE1 H 1 6.831 0.030 . 1 . . . . 22 PHE HE1 . 10303 1 164 . 1 1 22 22 PHE HE2 H 1 6.831 0.030 . 1 . . . . 22 PHE HE2 . 10303 1 165 . 1 1 22 22 PHE HZ H 1 6.291 0.030 . 1 . . . . 22 PHE HZ . 10303 1 166 . 1 1 22 22 PHE C C 13 175.661 0.300 . 1 . . . . 22 PHE C . 10303 1 167 . 1 1 22 22 PHE CA C 13 57.352 0.300 . 1 . . . . 22 PHE CA . 10303 1 168 . 1 1 22 22 PHE CB C 13 43.939 0.300 . 1 . . . . 22 PHE CB . 10303 1 169 . 1 1 22 22 PHE CD1 C 13 132.403 0.300 . 1 . . . . 22 PHE CD1 . 10303 1 170 . 1 1 22 22 PHE CD2 C 13 132.403 0.300 . 1 . . . . 22 PHE CD2 . 10303 1 171 . 1 1 22 22 PHE CE1 C 13 130.703 0.300 . 1 . . . . 22 PHE CE1 . 10303 1 172 . 1 1 22 22 PHE CE2 C 13 130.703 0.300 . 1 . . . . 22 PHE CE2 . 10303 1 173 . 1 1 22 22 PHE CZ C 13 128.724 0.300 . 1 . . . . 22 PHE CZ . 10303 1 174 . 1 1 22 22 PHE N N 15 116.954 0.300 . 1 . . . . 22 PHE N . 10303 1 175 . 1 1 23 23 SER HA H 1 4.559 0.030 . 1 . . . . 23 SER HA . 10303 1 176 . 1 1 23 23 SER HB2 H 1 3.870 0.030 . 2 . . . . 23 SER HB2 . 10303 1 177 . 1 1 23 23 SER HB3 H 1 3.940 0.030 . 2 . . . . 23 SER HB3 . 10303 1 178 . 1 1 23 23 SER C C 13 173.459 0.300 . 1 . . . . 23 SER C . 10303 1 179 . 1 1 23 23 SER CA C 13 60.449 0.300 . 1 . . . . 23 SER CA . 10303 1 180 . 1 1 23 23 SER CB C 13 64.031 0.300 . 1 . . . . 23 SER CB . 10303 1 181 . 1 1 24 24 HIS H H 1 7.468 0.030 . 1 . . . . 24 HIS H . 10303 1 182 . 1 1 24 24 HIS HA H 1 4.900 0.030 . 1 . . . . 24 HIS HA . 10303 1 183 . 1 1 24 24 HIS HB2 H 1 3.301 0.030 . 2 . . . . 24 HIS HB2 . 10303 1 184 . 1 1 24 24 HIS HB3 H 1 3.023 0.030 . 2 . . . . 24 HIS HB3 . 10303 1 185 . 1 1 24 24 HIS HD2 H 1 7.181 0.030 . 1 . . . . 24 HIS HD2 . 10303 1 186 . 1 1 24 24 HIS HE1 H 1 7.828 0.030 . 1 . . . . 24 HIS HE1 . 10303 1 187 . 1 1 24 24 HIS C C 13 175.356 0.300 . 1 . . . . 24 HIS C . 10303 1 188 . 1 1 24 24 HIS CA C 13 55.441 0.300 . 1 . . . . 24 HIS CA . 10303 1 189 . 1 1 24 24 HIS CB C 13 33.737 0.300 . 1 . . . . 24 HIS CB . 10303 1 190 . 1 1 24 24 HIS CD2 C 13 119.328 0.300 . 1 . . . . 24 HIS CD2 . 10303 1 191 . 1 1 24 24 HIS CE1 C 13 138.846 0.300 . 1 . . . . 24 HIS CE1 . 10303 1 192 . 1 1 24 24 HIS N N 15 116.965 0.300 . 1 . . . . 24 HIS N . 10303 1 193 . 1 1 25 25 ARG H H 1 8.576 0.030 . 1 . . . . 25 ARG H . 10303 1 194 . 1 1 25 25 ARG HA H 1 3.125 0.030 . 1 . . . . 25 ARG HA . 10303 1 195 . 1 1 25 25 ARG HB2 H 1 1.306 0.030 . 2 . . . . 25 ARG HB2 . 10303 1 196 . 1 1 25 25 ARG HB3 H 1 1.485 0.030 . 2 . . . . 25 ARG HB3 . 10303 1 197 . 1 1 25 25 ARG HD2 H 1 3.057 0.030 . 1 . . . . 25 ARG HD2 . 10303 1 198 . 1 1 25 25 ARG HD3 H 1 3.057 0.030 . 1 . . . . 25 ARG HD3 . 10303 1 199 . 1 1 25 25 ARG HG2 H 1 1.249 0.030 . 1 . . . . 25 ARG HG2 . 10303 1 200 . 1 1 25 25 ARG HG3 H 1 1.249 0.030 . 1 . . . . 25 ARG HG3 . 10303 1 201 . 1 1 25 25 ARG C C 13 178.817 0.300 . 1 . . . . 25 ARG C . 10303 1 202 . 1 1 25 25 ARG CA C 13 59.490 0.300 . 1 . . . . 25 ARG CA . 10303 1 203 . 1 1 25 25 ARG CB C 13 29.522 0.300 . 1 . . . . 25 ARG CB . 10303 1 204 . 1 1 25 25 ARG CD C 13 43.082 0.300 . 1 . . . . 25 ARG CD . 10303 1 205 . 1 1 25 25 ARG CG C 13 27.216 0.300 . 1 . . . . 25 ARG CG . 10303 1 206 . 1 1 25 25 ARG N N 15 126.293 0.300 . 1 . . . . 25 ARG N . 10303 1 207 . 1 1 26 26 GLN HA H 1 4.076 0.030 . 1 . . . . 26 GLN HA . 10303 1 208 . 1 1 26 26 GLN HB2 H 1 2.112 0.030 . 2 . . . . 26 GLN HB2 . 10303 1 209 . 1 1 26 26 GLN HB3 H 1 2.016 0.030 . 2 . . . . 26 GLN HB3 . 10303 1 210 . 1 1 26 26 GLN HE21 H 1 7.378 0.030 . 2 . . . . 26 GLN HE21 . 10303 1 211 . 1 1 26 26 GLN HE22 H 1 6.812 0.030 . 2 . . . . 26 GLN HE22 . 10303 1 212 . 1 1 26 26 GLN HG2 H 1 2.416 0.030 . 1 . . . . 26 GLN HG2 . 10303 1 213 . 1 1 26 26 GLN HG3 H 1 2.416 0.030 . 1 . . . . 26 GLN HG3 . 10303 1 214 . 1 1 26 26 GLN C C 13 178.053 0.300 . 1 . . . . 26 GLN C . 10303 1 215 . 1 1 26 26 GLN CA C 13 59.093 0.300 . 1 . . . . 26 GLN CA . 10303 1 216 . 1 1 26 26 GLN CB C 13 27.565 0.300 . 1 . . . . 26 GLN CB . 10303 1 217 . 1 1 26 26 GLN CG C 13 33.522 0.300 . 1 . . . . 26 GLN CG . 10303 1 218 . 1 1 26 26 GLN NE2 N 15 111.487 0.300 . 1 . . . . 26 GLN NE2 . 10303 1 219 . 1 1 27 27 SER H H 1 7.085 0.030 . 1 . . . . 27 SER H . 10303 1 220 . 1 1 27 27 SER HA H 1 4.163 0.030 . 1 . . . . 27 SER HA . 10303 1 221 . 1 1 27 27 SER HB2 H 1 3.975 0.030 . 2 . . . . 27 SER HB2 . 10303 1 222 . 1 1 27 27 SER HB3 H 1 4.046 0.030 . 2 . . . . 27 SER HB3 . 10303 1 223 . 1 1 27 27 SER C C 13 176.947 0.300 . 1 . . . . 27 SER C . 10303 1 224 . 1 1 27 27 SER CA C 13 60.770 0.300 . 1 . . . . 27 SER CA . 10303 1 225 . 1 1 27 27 SER CB C 13 62.370 0.300 . 1 . . . . 27 SER CB . 10303 1 226 . 1 1 27 27 SER N N 15 113.602 0.300 . 1 . . . . 27 SER N . 10303 1 227 . 1 1 28 28 LEU H H 1 7.065 0.030 . 1 . . . . 28 LEU H . 10303 1 228 . 1 1 28 28 LEU HA H 1 3.231 0.030 . 1 . . . . 28 LEU HA . 10303 1 229 . 1 1 28 28 LEU HB2 H 1 1.946 0.030 . 2 . . . . 28 LEU HB2 . 10303 1 230 . 1 1 28 28 LEU HB3 H 1 1.230 0.030 . 2 . . . . 28 LEU HB3 . 10303 1 231 . 1 1 28 28 LEU HD11 H 1 0.972 0.030 . 1 . . . . 28 LEU HD1 . 10303 1 232 . 1 1 28 28 LEU HD12 H 1 0.972 0.030 . 1 . . . . 28 LEU HD1 . 10303 1 233 . 1 1 28 28 LEU HD13 H 1 0.972 0.030 . 1 . . . . 28 LEU HD1 . 10303 1 234 . 1 1 28 28 LEU HD21 H 1 1.011 0.030 . 1 . . . . 28 LEU HD2 . 10303 1 235 . 1 1 28 28 LEU HD22 H 1 1.011 0.030 . 1 . . . . 28 LEU HD2 . 10303 1 236 . 1 1 28 28 LEU HD23 H 1 1.011 0.030 . 1 . . . . 28 LEU HD2 . 10303 1 237 . 1 1 28 28 LEU HG H 1 1.489 0.030 . 1 . . . . 28 LEU HG . 10303 1 238 . 1 1 28 28 LEU C C 13 177.321 0.300 . 1 . . . . 28 LEU C . 10303 1 239 . 1 1 28 28 LEU CA C 13 57.877 0.300 . 1 . . . . 28 LEU CA . 10303 1 240 . 1 1 28 28 LEU CB C 13 40.130 0.300 . 1 . . . . 28 LEU CB . 10303 1 241 . 1 1 28 28 LEU CD1 C 13 26.519 0.300 . 2 . . . . 28 LEU CD1 . 10303 1 242 . 1 1 28 28 LEU CD2 C 13 22.771 0.300 . 2 . . . . 28 LEU CD2 . 10303 1 243 . 1 1 28 28 LEU CG C 13 27.473 0.300 . 1 . . . . 28 LEU CG . 10303 1 244 . 1 1 28 28 LEU N N 15 123.331 0.300 . 1 . . . . 28 LEU N . 10303 1 245 . 1 1 29 29 SER H H 1 8.114 0.030 . 1 . . . . 29 SER H . 10303 1 246 . 1 1 29 29 SER HA H 1 4.223 0.030 . 1 . . . . 29 SER HA . 10303 1 247 . 1 1 29 29 SER HB2 H 1 3.920 0.030 . 1 . . . . 29 SER HB2 . 10303 1 248 . 1 1 29 29 SER HB3 H 1 3.920 0.030 . 1 . . . . 29 SER HB3 . 10303 1 249 . 1 1 29 29 SER C C 13 177.246 0.300 . 1 . . . . 29 SER C . 10303 1 250 . 1 1 29 29 SER CA C 13 61.883 0.300 . 1 . . . . 29 SER CA . 10303 1 251 . 1 1 29 29 SER CB C 13 62.568 0.300 . 1 . . . . 29 SER CB . 10303 1 252 . 1 1 29 29 SER N N 15 115.146 0.300 . 1 . . . . 29 SER N . 10303 1 253 . 1 1 30 30 VAL H H 1 7.636 0.030 . 1 . . . . 30 VAL H . 10303 1 254 . 1 1 30 30 VAL HA H 1 3.553 0.030 . 1 . . . . 30 VAL HA . 10303 1 255 . 1 1 30 30 VAL HB H 1 1.950 0.030 . 1 . . . . 30 VAL HB . 10303 1 256 . 1 1 30 30 VAL HG11 H 1 1.029 0.030 . 1 . . . . 30 VAL HG1 . 10303 1 257 . 1 1 30 30 VAL HG12 H 1 1.029 0.030 . 1 . . . . 30 VAL HG1 . 10303 1 258 . 1 1 30 30 VAL HG13 H 1 1.029 0.030 . 1 . . . . 30 VAL HG1 . 10303 1 259 . 1 1 30 30 VAL HG21 H 1 0.915 0.030 . 1 . . . . 30 VAL HG2 . 10303 1 260 . 1 1 30 30 VAL HG22 H 1 0.915 0.030 . 1 . . . . 30 VAL HG2 . 10303 1 261 . 1 1 30 30 VAL HG23 H 1 0.915 0.030 . 1 . . . . 30 VAL HG2 . 10303 1 262 . 1 1 30 30 VAL C C 13 178.788 0.300 . 1 . . . . 30 VAL C . 10303 1 263 . 1 1 30 30 VAL CA C 13 66.375 0.300 . 1 . . . . 30 VAL CA . 10303 1 264 . 1 1 30 30 VAL CB C 13 32.167 0.300 . 1 . . . . 30 VAL CB . 10303 1 265 . 1 1 30 30 VAL CG1 C 13 22.596 0.300 . 2 . . . . 30 VAL CG1 . 10303 1 266 . 1 1 30 30 VAL CG2 C 13 21.152 0.300 . 2 . . . . 30 VAL CG2 . 10303 1 267 . 1 1 30 30 VAL N N 15 120.146 0.300 . 1 . . . . 30 VAL N . 10303 1 268 . 1 1 31 31 HIS H H 1 7.470 0.030 . 1 . . . . 31 HIS H . 10303 1 269 . 1 1 31 31 HIS HA H 1 4.171 0.030 . 1 . . . . 31 HIS HA . 10303 1 270 . 1 1 31 31 HIS HB2 H 1 3.091 0.030 . 2 . . . . 31 HIS HB2 . 10303 1 271 . 1 1 31 31 HIS HB3 H 1 2.889 0.030 . 2 . . . . 31 HIS HB3 . 10303 1 272 . 1 1 31 31 HIS HD2 H 1 6.899 0.030 . 1 . . . . 31 HIS HD2 . 10303 1 273 . 1 1 31 31 HIS HE1 H 1 8.053 0.030 . 1 . . . . 31 HIS HE1 . 10303 1 274 . 1 1 31 31 HIS C C 13 176.259 0.300 . 1 . . . . 31 HIS C . 10303 1 275 . 1 1 31 31 HIS CA C 13 59.366 0.300 . 1 . . . . 31 HIS CA . 10303 1 276 . 1 1 31 31 HIS CB C 13 28.531 0.300 . 1 . . . . 31 HIS CB . 10303 1 277 . 1 1 31 31 HIS CD2 C 13 127.162 0.300 . 1 . . . . 31 HIS CD2 . 10303 1 278 . 1 1 31 31 HIS CE1 C 13 139.627 0.300 . 1 . . . . 31 HIS CE1 . 10303 1 279 . 1 1 31 31 HIS N N 15 120.147 0.300 . 1 . . . . 31 HIS N . 10303 1 280 . 1 1 32 32 GLN H H 1 8.433 0.030 . 1 . . . . 32 GLN H . 10303 1 281 . 1 1 32 32 GLN HA H 1 3.662 0.030 . 1 . . . . 32 GLN HA . 10303 1 282 . 1 1 32 32 GLN HB2 H 1 2.189 0.030 . 2 . . . . 32 GLN HB2 . 10303 1 283 . 1 1 32 32 GLN HB3 H 1 2.339 0.030 . 2 . . . . 32 GLN HB3 . 10303 1 284 . 1 1 32 32 GLN HE21 H 1 7.046 0.030 . 2 . . . . 32 GLN HE21 . 10303 1 285 . 1 1 32 32 GLN HE22 H 1 7.592 0.030 . 2 . . . . 32 GLN HE22 . 10303 1 286 . 1 1 32 32 GLN HG2 H 1 2.807 0.030 . 1 . . . . 32 GLN HG2 . 10303 1 287 . 1 1 32 32 GLN HG3 H 1 2.807 0.030 . 1 . . . . 32 GLN HG3 . 10303 1 288 . 1 1 32 32 GLN C C 13 177.663 0.300 . 1 . . . . 32 GLN C . 10303 1 289 . 1 1 32 32 GLN CA C 13 59.331 0.300 . 1 . . . . 32 GLN CA . 10303 1 290 . 1 1 32 32 GLN CB C 13 28.343 0.300 . 1 . . . . 32 GLN CB . 10303 1 291 . 1 1 32 32 GLN CG C 13 35.328 0.300 . 1 . . . . 32 GLN CG . 10303 1 292 . 1 1 32 32 GLN N N 15 114.417 0.300 . 1 . . . . 32 GLN N . 10303 1 293 . 1 1 32 32 GLN NE2 N 15 112.305 0.300 . 1 . . . . 32 GLN NE2 . 10303 1 294 . 1 1 33 33 ARG H H 1 7.218 0.030 . 1 . . . . 33 ARG H . 10303 1 295 . 1 1 33 33 ARG HA H 1 4.085 0.030 . 1 . . . . 33 ARG HA . 10303 1 296 . 1 1 33 33 ARG HB2 H 1 1.800 0.030 . 2 . . . . 33 ARG HB2 . 10303 1 297 . 1 1 33 33 ARG HB3 H 1 1.928 0.030 . 2 . . . . 33 ARG HB3 . 10303 1 298 . 1 1 33 33 ARG HD2 H 1 3.209 0.030 . 1 . . . . 33 ARG HD2 . 10303 1 299 . 1 1 33 33 ARG HD3 H 1 3.209 0.030 . 1 . . . . 33 ARG HD3 . 10303 1 300 . 1 1 33 33 ARG HG2 H 1 1.706 0.030 . 2 . . . . 33 ARG HG2 . 10303 1 301 . 1 1 33 33 ARG HG3 H 1 1.898 0.030 . 2 . . . . 33 ARG HG3 . 10303 1 302 . 1 1 33 33 ARG C C 13 178.714 0.300 . 1 . . . . 33 ARG C . 10303 1 303 . 1 1 33 33 ARG CA C 13 58.611 0.300 . 1 . . . . 33 ARG CA . 10303 1 304 . 1 1 33 33 ARG CB C 13 30.135 0.300 . 1 . . . . 33 ARG CB . 10303 1 305 . 1 1 33 33 ARG CD C 13 43.758 0.300 . 1 . . . . 33 ARG CD . 10303 1 306 . 1 1 33 33 ARG CG C 13 27.431 0.300 . 1 . . . . 33 ARG CG . 10303 1 307 . 1 1 33 33 ARG N N 15 118.146 0.300 . 1 . . . . 33 ARG N . 10303 1 308 . 1 1 34 34 ILE H H 1 7.811 0.030 . 1 . . . . 34 ILE H . 10303 1 309 . 1 1 34 34 ILE HA H 1 3.988 0.030 . 1 . . . . 34 ILE HA . 10303 1 310 . 1 1 34 34 ILE HB H 1 1.683 0.030 . 1 . . . . 34 ILE HB . 10303 1 311 . 1 1 34 34 ILE HD11 H 1 0.695 0.030 . 1 . . . . 34 ILE HD1 . 10303 1 312 . 1 1 34 34 ILE HD12 H 1 0.695 0.030 . 1 . . . . 34 ILE HD1 . 10303 1 313 . 1 1 34 34 ILE HD13 H 1 0.695 0.030 . 1 . . . . 34 ILE HD1 . 10303 1 314 . 1 1 34 34 ILE HG12 H 1 0.899 0.030 . 2 . . . . 34 ILE HG12 . 10303 1 315 . 1 1 34 34 ILE HG13 H 1 0.657 0.030 . 2 . . . . 34 ILE HG13 . 10303 1 316 . 1 1 34 34 ILE HG21 H 1 0.592 0.030 . 1 . . . . 34 ILE HG2 . 10303 1 317 . 1 1 34 34 ILE HG22 H 1 0.592 0.030 . 1 . . . . 34 ILE HG2 . 10303 1 318 . 1 1 34 34 ILE HG23 H 1 0.592 0.030 . 1 . . . . 34 ILE HG2 . 10303 1 319 . 1 1 34 34 ILE C C 13 177.231 0.300 . 1 . . . . 34 ILE C . 10303 1 320 . 1 1 34 34 ILE CA C 13 63.133 0.300 . 1 . . . . 34 ILE CA . 10303 1 321 . 1 1 34 34 ILE CB C 13 37.750 0.300 . 1 . . . . 34 ILE CB . 10303 1 322 . 1 1 34 34 ILE CD1 C 13 14.524 0.300 . 1 . . . . 34 ILE CD1 . 10303 1 323 . 1 1 34 34 ILE CG1 C 13 26.294 0.300 . 1 . . . . 34 ILE CG1 . 10303 1 324 . 1 1 34 34 ILE CG2 C 13 16.334 0.300 . 1 . . . . 34 ILE CG2 . 10303 1 325 . 1 1 34 34 ILE N N 15 115.758 0.300 . 1 . . . . 34 ILE N . 10303 1 326 . 1 1 35 35 HIS H H 1 7.151 0.030 . 1 . . . . 35 HIS H . 10303 1 327 . 1 1 35 35 HIS HA H 1 4.919 0.030 . 1 . . . . 35 HIS HA . 10303 1 328 . 1 1 35 35 HIS HB2 H 1 3.398 0.030 . 2 . . . . 35 HIS HB2 . 10303 1 329 . 1 1 35 35 HIS HB3 H 1 3.262 0.030 . 2 . . . . 35 HIS HB3 . 10303 1 330 . 1 1 35 35 HIS HD2 H 1 6.735 0.030 . 1 . . . . 35 HIS HD2 . 10303 1 331 . 1 1 35 35 HIS HE1 H 1 8.134 0.030 . 1 . . . . 35 HIS HE1 . 10303 1 332 . 1 1 35 35 HIS C C 13 175.128 0.300 . 1 . . . . 35 HIS C . 10303 1 333 . 1 1 35 35 HIS CA C 13 54.417 0.300 . 1 . . . . 35 HIS CA . 10303 1 334 . 1 1 35 35 HIS CB C 13 28.448 0.300 . 1 . . . . 35 HIS CB . 10303 1 335 . 1 1 35 35 HIS CD2 C 13 127.765 0.300 . 1 . . . . 35 HIS CD2 . 10303 1 336 . 1 1 35 35 HIS CE1 C 13 140.437 0.300 . 1 . . . . 35 HIS CE1 . 10303 1 337 . 1 1 35 35 HIS N N 15 117.335 0.300 . 1 . . . . 35 HIS N . 10303 1 338 . 1 1 36 36 SER H H 1 7.753 0.030 . 1 . . . . 36 SER H . 10303 1 339 . 1 1 36 36 SER HA H 1 4.567 0.030 . 1 . . . . 36 SER HA . 10303 1 340 . 1 1 36 36 SER HB2 H 1 3.922 0.030 . 1 . . . . 36 SER HB2 . 10303 1 341 . 1 1 36 36 SER HB3 H 1 3.922 0.030 . 1 . . . . 36 SER HB3 . 10303 1 342 . 1 1 36 36 SER CA C 13 58.337 0.300 . 1 . . . . 36 SER CA . 10303 1 343 . 1 1 36 36 SER CB C 13 63.842 0.300 . 1 . . . . 36 SER CB . 10303 1 344 . 1 1 36 36 SER N N 15 114.886 0.300 . 1 . . . . 36 SER N . 10303 1 345 . 1 1 37 37 GLY HA2 H 1 3.979 0.030 . 1 . . . . 37 GLY HA2 . 10303 1 346 . 1 1 37 37 GLY HA3 H 1 3.979 0.030 . 1 . . . . 37 GLY HA3 . 10303 1 347 . 1 1 37 37 GLY C C 13 173.884 0.300 . 1 . . . . 37 GLY C . 10303 1 348 . 1 1 37 37 GLY CA C 13 45.345 0.300 . 1 . . . . 37 GLY CA . 10303 1 349 . 1 1 38 38 LYS H H 1 8.095 0.030 . 1 . . . . 38 LYS H . 10303 1 350 . 1 1 38 38 LYS HA H 1 4.332 0.030 . 1 . . . . 38 LYS HA . 10303 1 351 . 1 1 38 38 LYS HB2 H 1 1.718 0.030 . 2 . . . . 38 LYS HB2 . 10303 1 352 . 1 1 38 38 LYS HB3 H 1 1.802 0.030 . 2 . . . . 38 LYS HB3 . 10303 1 353 . 1 1 38 38 LYS HD2 H 1 1.666 0.030 . 1 . . . . 38 LYS HD2 . 10303 1 354 . 1 1 38 38 LYS HD3 H 1 1.666 0.030 . 1 . . . . 38 LYS HD3 . 10303 1 355 . 1 1 38 38 LYS HE2 H 1 2.992 0.030 . 2 . . . . 38 LYS HE2 . 10303 1 356 . 1 1 38 38 LYS HG2 H 1 1.406 0.030 . 1 . . . . 38 LYS HG2 . 10303 1 357 . 1 1 38 38 LYS HG3 H 1 1.406 0.030 . 1 . . . . 38 LYS HG3 . 10303 1 358 . 1 1 38 38 LYS C C 13 176.395 0.300 . 1 . . . . 38 LYS C . 10303 1 359 . 1 1 38 38 LYS CA C 13 55.975 0.300 . 1 . . . . 38 LYS CA . 10303 1 360 . 1 1 38 38 LYS CB C 13 33.189 0.300 . 1 . . . . 38 LYS CB . 10303 1 361 . 1 1 38 38 LYS CD C 13 29.014 0.300 . 1 . . . . 38 LYS CD . 10303 1 362 . 1 1 38 38 LYS CE C 13 42.202 0.300 . 1 . . . . 38 LYS CE . 10303 1 363 . 1 1 38 38 LYS CG C 13 24.679 0.300 . 1 . . . . 38 LYS CG . 10303 1 364 . 1 1 38 38 LYS N N 15 120.863 0.300 . 1 . . . . 38 LYS N . 10303 1 365 . 1 1 39 39 LYS H H 1 8.422 0.030 . 1 . . . . 39 LYS H . 10303 1 366 . 1 1 39 39 LYS HA H 1 4.599 0.030 . 1 . . . . 39 LYS HA . 10303 1 367 . 1 1 39 39 LYS HB2 H 1 1.734 0.030 . 2 . . . . 39 LYS HB2 . 10303 1 368 . 1 1 39 39 LYS HB3 H 1 1.825 0.030 . 2 . . . . 39 LYS HB3 . 10303 1 369 . 1 1 39 39 LYS HD2 H 1 1.691 0.030 . 1 . . . . 39 LYS HD2 . 10303 1 370 . 1 1 39 39 LYS HD3 H 1 1.691 0.030 . 1 . . . . 39 LYS HD3 . 10303 1 371 . 1 1 39 39 LYS HE2 H 1 3.005 0.030 . 1 . . . . 39 LYS HE2 . 10303 1 372 . 1 1 39 39 LYS HE3 H 1 3.005 0.030 . 1 . . . . 39 LYS HE3 . 10303 1 373 . 1 1 39 39 LYS HG2 H 1 1.477 0.030 . 1 . . . . 39 LYS HG2 . 10303 1 374 . 1 1 39 39 LYS HG3 H 1 1.477 0.030 . 1 . . . . 39 LYS HG3 . 10303 1 375 . 1 1 39 39 LYS C C 13 174.655 0.300 . 1 . . . . 39 LYS C . 10303 1 376 . 1 1 39 39 LYS CA C 13 54.274 0.300 . 1 . . . . 39 LYS CA . 10303 1 377 . 1 1 39 39 LYS CB C 13 32.513 0.300 . 1 . . . . 39 LYS CB . 10303 1 378 . 1 1 39 39 LYS CD C 13 29.174 0.300 . 1 . . . . 39 LYS CD . 10303 1 379 . 1 1 39 39 LYS CE C 13 42.202 0.300 . 1 . . . . 39 LYS CE . 10303 1 380 . 1 1 39 39 LYS CG C 13 24.548 0.300 . 1 . . . . 39 LYS CG . 10303 1 381 . 1 1 39 39 LYS N N 15 124.629 0.300 . 1 . . . . 39 LYS N . 10303 1 382 . 1 1 40 40 PRO HA H 1 4.458 0.030 . 1 . . . . 40 PRO HA . 10303 1 383 . 1 1 40 40 PRO HB2 H 1 2.313 0.030 . 2 . . . . 40 PRO HB2 . 10303 1 384 . 1 1 40 40 PRO HB3 H 1 1.952 0.030 . 2 . . . . 40 PRO HB3 . 10303 1 385 . 1 1 40 40 PRO HD2 H 1 3.652 0.030 . 2 . . . . 40 PRO HD2 . 10303 1 386 . 1 1 40 40 PRO HD3 H 1 3.838 0.030 . 2 . . . . 40 PRO HD3 . 10303 1 387 . 1 1 40 40 PRO HG2 H 1 2.020 0.030 . 1 . . . . 40 PRO HG2 . 10303 1 388 . 1 1 40 40 PRO HG3 H 1 2.020 0.030 . 1 . . . . 40 PRO HG3 . 10303 1 389 . 1 1 40 40 PRO C C 13 176.893 0.300 . 1 . . . . 40 PRO C . 10303 1 390 . 1 1 40 40 PRO CA C 13 63.256 0.300 . 1 . . . . 40 PRO CA . 10303 1 391 . 1 1 40 40 PRO CB C 13 32.181 0.300 . 1 . . . . 40 PRO CB . 10303 1 392 . 1 1 40 40 PRO CD C 13 50.743 0.300 . 1 . . . . 40 PRO CD . 10303 1 393 . 1 1 40 40 PRO CG C 13 27.455 0.300 . 1 . . . . 40 PRO CG . 10303 1 394 . 1 1 41 41 SER H H 1 8.432 0.030 . 1 . . . . 41 SER H . 10303 1 395 . 1 1 41 41 SER HA H 1 4.504 0.030 . 1 . . . . 41 SER HA . 10303 1 396 . 1 1 41 41 SER HB2 H 1 3.907 0.030 . 1 . . . . 41 SER HB2 . 10303 1 397 . 1 1 41 41 SER HB3 H 1 3.907 0.030 . 1 . . . . 41 SER HB3 . 10303 1 398 . 1 1 41 41 SER C C 13 174.603 0.300 . 1 . . . . 41 SER C . 10303 1 399 . 1 1 41 41 SER CA C 13 58.373 0.300 . 1 . . . . 41 SER CA . 10303 1 400 . 1 1 41 41 SER CB C 13 64.035 0.300 . 1 . . . . 41 SER CB . 10303 1 401 . 1 1 41 41 SER N N 15 116.447 0.300 . 1 . . . . 41 SER N . 10303 1 402 . 1 1 42 42 GLY HA2 H 1 4.139 0.030 . 1 . . . . 42 GLY HA2 . 10303 1 403 . 1 1 42 42 GLY HA3 H 1 4.139 0.030 . 1 . . . . 42 GLY HA3 . 10303 1 404 . 1 1 42 42 GLY CA C 13 44.668 0.300 . 1 . . . . 42 GLY CA . 10303 1 405 . 1 1 43 43 PRO HA H 1 4.478 0.030 . 1 . . . . 43 PRO HA . 10303 1 406 . 1 1 43 43 PRO HB2 H 1 2.298 0.030 . 2 . . . . 43 PRO HB2 . 10303 1 407 . 1 1 43 43 PRO HB3 H 1 2.001 0.030 . 2 . . . . 43 PRO HB3 . 10303 1 408 . 1 1 43 43 PRO HD2 H 1 3.631 0.030 . 1 . . . . 43 PRO HD2 . 10303 1 409 . 1 1 43 43 PRO HD3 H 1 3.631 0.030 . 1 . . . . 43 PRO HD3 . 10303 1 410 . 1 1 43 43 PRO HG2 H 1 2.022 0.030 . 1 . . . . 43 PRO HG2 . 10303 1 411 . 1 1 43 43 PRO HG3 H 1 2.022 0.030 . 1 . . . . 43 PRO HG3 . 10303 1 412 . 1 1 43 43 PRO CA C 13 63.320 0.300 . 1 . . . . 43 PRO CA . 10303 1 413 . 1 1 43 43 PRO CB C 13 32.254 0.300 . 1 . . . . 43 PRO CB . 10303 1 414 . 1 1 43 43 PRO CD C 13 49.798 0.300 . 1 . . . . 43 PRO CD . 10303 1 415 . 1 1 43 43 PRO CG C 13 27.175 0.300 . 1 . . . . 43 PRO CG . 10303 1 416 . 1 1 45 45 SER HA H 1 4.503 0.030 . 1 . . . . 45 SER HA . 10303 1 417 . 1 1 45 45 SER HB2 H 1 3.906 0.030 . 1 . . . . 45 SER HB2 . 10303 1 418 . 1 1 45 45 SER HB3 H 1 3.906 0.030 . 1 . . . . 45 SER HB3 . 10303 1 419 . 1 1 45 45 SER C C 13 173.908 0.300 . 1 . . . . 45 SER C . 10303 1 420 . 1 1 45 45 SER CA C 13 58.386 0.300 . 1 . . . . 45 SER CA . 10303 1 421 . 1 1 45 45 SER CB C 13 63.916 0.300 . 1 . . . . 45 SER CB . 10303 1 422 . 1 1 46 46 GLY H H 1 8.040 0.030 . 1 . . . . 46 GLY H . 10303 1 423 . 1 1 46 46 GLY HA2 H 1 3.752 0.030 . 2 . . . . 46 GLY HA2 . 10303 1 424 . 1 1 46 46 GLY HA3 H 1 3.801 0.030 . 2 . . . . 46 GLY HA3 . 10303 1 425 . 1 1 46 46 GLY C C 13 178.993 0.300 . 1 . . . . 46 GLY C . 10303 1 426 . 1 1 46 46 GLY CA C 13 46.241 0.300 . 1 . . . . 46 GLY CA . 10303 1 427 . 1 1 46 46 GLY N N 15 116.839 0.300 . 1 . . . . 46 GLY N . 10303 1 stop_ save_