################################### # 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 10180 _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 10180 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10180 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 THR N N 15 112.844 0.300 . 1 . . . . 8 THR N . 10180 1 2 . 1 1 8 8 THR H H 1 8.151 0.030 . 1 . . . . 8 THR H . 10180 1 3 . 1 1 8 8 THR CA C 13 61.903 0.300 . 1 . . . . 8 THR CA . 10180 1 4 . 1 1 8 8 THR HA H 1 4.363 0.030 . 1 . . . . 8 THR HA . 10180 1 5 . 1 1 8 8 THR CB C 13 69.727 0.300 . 1 . . . . 8 THR CB . 10180 1 6 . 1 1 8 8 THR HB H 1 4.296 0.030 . 1 . . . . 8 THR HB . 10180 1 7 . 1 1 8 8 THR CG2 C 13 21.510 0.300 . 1 . . . . 8 THR CG2 . 10180 1 8 . 1 1 8 8 THR HG21 H 1 1.193 0.030 . 1 . . . . 8 THR HG2 . 10180 1 9 . 1 1 8 8 THR HG22 H 1 1.193 0.030 . 1 . . . . 8 THR HG2 . 10180 1 10 . 1 1 8 8 THR HG23 H 1 1.193 0.030 . 1 . . . . 8 THR HG2 . 10180 1 11 . 1 1 8 8 THR C C 13 175.240 0.300 . 1 . . . . 8 THR C . 10180 1 12 . 1 1 9 9 GLY N N 15 111.083 0.300 . 1 . . . . 9 GLY N . 10180 1 13 . 1 1 9 9 GLY H H 1 8.440 0.030 . 1 . . . . 9 GLY H . 10180 1 14 . 1 1 9 9 GLY CA C 13 45.249 0.300 . 1 . . . . 9 GLY CA . 10180 1 15 . 1 1 9 9 GLY HA3 H 1 3.973 0.030 . 2 . . . . 9 GLY HA3 . 10180 1 16 . 1 1 9 9 GLY C C 13 174.005 0.300 . 1 . . . . 9 GLY C . 10180 1 17 . 1 1 9 9 GLY HA2 H 1 3.925 0.030 . 2 . . . . 9 GLY HA2 . 10180 1 18 . 1 1 10 10 GLU N N 15 120.520 0.300 . 1 . . . . 10 GLU N . 10180 1 19 . 1 1 10 10 GLU H H 1 8.187 0.030 . 1 . . . . 10 GLU H . 10180 1 20 . 1 1 10 10 GLU CA C 13 56.547 0.300 . 1 . . . . 10 GLU CA . 10180 1 21 . 1 1 10 10 GLU HA H 1 4.204 0.030 . 1 . . . . 10 GLU HA . 10180 1 22 . 1 1 10 10 GLU CB C 13 30.461 0.300 . 1 . . . . 10 GLU CB . 10180 1 23 . 1 1 10 10 GLU HB3 H 1 1.955 0.030 . 2 . . . . 10 GLU HB3 . 10180 1 24 . 1 1 10 10 GLU CG C 13 36.194 0.300 . 1 . . . . 10 GLU CG . 10180 1 25 . 1 1 10 10 GLU HG3 H 1 2.236 0.030 . 2 . . . . 10 GLU HG3 . 10180 1 26 . 1 1 10 10 GLU HB2 H 1 1.872 0.030 . 2 . . . . 10 GLU HB2 . 10180 1 27 . 1 1 10 10 GLU HG2 H 1 2.187 0.030 . 2 . . . . 10 GLU HG2 . 10180 1 28 . 1 1 11 11 LYS N N 15 122.559 0.300 . 1 . . . . 11 LYS N . 10180 1 29 . 1 1 11 11 LYS H H 1 8.393 0.030 . 1 . . . . 11 LYS H . 10180 1 30 . 1 1 11 11 LYS CA C 13 53.799 0.300 . 1 . . . . 11 LYS CA . 10180 1 31 . 1 1 11 11 LYS HA H 1 4.462 0.030 . 1 . . . . 11 LYS HA . 10180 1 32 . 1 1 11 11 LYS CB C 13 32.248 0.300 . 1 . . . . 11 LYS CB . 10180 1 33 . 1 1 11 11 LYS HB3 H 1 1.541 0.030 . 1 . . . . 11 LYS HB3 . 10180 1 34 . 1 1 11 11 LYS CG C 13 25.151 0.300 . 1 . . . . 11 LYS CG . 10180 1 35 . 1 1 11 11 LYS HG3 H 1 1.328 0.030 . 2 . . . . 11 LYS HG3 . 10180 1 36 . 1 1 11 11 LYS CD C 13 29.317 0.300 . 1 . . . . 11 LYS CD . 10180 1 37 . 1 1 11 11 LYS HD3 H 1 1.372 0.030 . 2 . . . . 11 LYS HD3 . 10180 1 38 . 1 1 11 11 LYS CE C 13 42.337 0.300 . 1 . . . . 11 LYS CE . 10180 1 39 . 1 1 11 11 LYS HE3 H 1 2.885 0.030 . 1 . . . . 11 LYS HE3 . 10180 1 40 . 1 1 11 11 LYS HB2 H 1 1.541 0.030 . 1 . . . . 11 LYS HB2 . 10180 1 41 . 1 1 11 11 LYS HD2 H 1 1.466 0.030 . 2 . . . . 11 LYS HD2 . 10180 1 42 . 1 1 11 11 LYS HE2 H 1 2.885 0.030 . 1 . . . . 11 LYS HE2 . 10180 1 43 . 1 1 11 11 LYS HG2 H 1 1.200 0.030 . 2 . . . . 11 LYS HG2 . 10180 1 44 . 1 1 12 12 PRO CA C 13 63.975 0.300 . 1 . . . . 12 PRO CA . 10180 1 45 . 1 1 12 12 PRO HA H 1 4.191 0.030 . 1 . . . . 12 PRO HA . 10180 1 46 . 1 1 12 12 PRO CB C 13 32.032 0.300 . 1 . . . . 12 PRO CB . 10180 1 47 . 1 1 12 12 PRO HB3 H 1 2.035 0.030 . 2 . . . . 12 PRO HB3 . 10180 1 48 . 1 1 12 12 PRO CG C 13 26.961 0.300 . 1 . . . . 12 PRO CG . 10180 1 49 . 1 1 12 12 PRO HG3 H 1 1.926 0.030 . 2 . . . . 12 PRO HG3 . 10180 1 50 . 1 1 12 12 PRO CD C 13 50.685 0.300 . 1 . . . . 12 PRO CD . 10180 1 51 . 1 1 12 12 PRO C C 13 176.302 0.300 . 1 . . . . 12 PRO C . 10180 1 52 . 1 1 12 12 PRO HB2 H 1 1.295 0.030 . 2 . . . . 12 PRO HB2 . 10180 1 53 . 1 1 12 12 PRO HD2 H 1 3.689 0.030 . 2 . . . . 12 PRO HD2 . 10180 1 54 . 1 1 12 12 PRO HG2 H 1 1.814 0.030 . 2 . . . . 12 PRO HG2 . 10180 1 55 . 1 1 13 13 TYR N N 15 117.435 0.300 . 1 . . . . 13 TYR N . 10180 1 56 . 1 1 13 13 TYR H H 1 7.669 0.030 . 1 . . . . 13 TYR H . 10180 1 57 . 1 1 13 13 TYR CA C 13 57.269 0.300 . 1 . . . . 13 TYR CA . 10180 1 58 . 1 1 13 13 TYR HA H 1 4.691 0.030 . 1 . . . . 13 TYR HA . 10180 1 59 . 1 1 13 13 TYR CB C 13 38.999 0.300 . 1 . . . . 13 TYR CB . 10180 1 60 . 1 1 13 13 TYR HB3 H 1 2.916 0.030 . 2 . . . . 13 TYR HB3 . 10180 1 61 . 1 1 13 13 TYR CD1 C 13 132.989 0.300 . 1 . . . . 13 TYR CD1 . 10180 1 62 . 1 1 13 13 TYR HD1 H 1 6.952 0.030 . 1 . . . . 13 TYR HD1 . 10180 1 63 . 1 1 13 13 TYR CD2 C 13 132.989 0.300 . 1 . . . . 13 TYR CD2 . 10180 1 64 . 1 1 13 13 TYR HD2 H 1 6.952 0.030 . 1 . . . . 13 TYR HD2 . 10180 1 65 . 1 1 13 13 TYR CE1 C 13 118.242 0.300 . 1 . . . . 13 TYR CE1 . 10180 1 66 . 1 1 13 13 TYR HE1 H 1 6.833 0.030 . 1 . . . . 13 TYR HE1 . 10180 1 67 . 1 1 13 13 TYR CE2 C 13 118.242 0.300 . 1 . . . . 13 TYR CE2 . 10180 1 68 . 1 1 13 13 TYR HE2 H 1 6.833 0.030 . 1 . . . . 13 TYR HE2 . 10180 1 69 . 1 1 13 13 TYR C C 13 174.478 0.300 . 1 . . . . 13 TYR C . 10180 1 70 . 1 1 13 13 TYR HB2 H 1 2.709 0.030 . 2 . . . . 13 TYR HB2 . 10180 1 71 . 1 1 14 14 LYS N N 15 123.791 0.300 . 1 . . . . 14 LYS N . 10180 1 72 . 1 1 14 14 LYS H H 1 8.654 0.030 . 1 . . . . 14 LYS H . 10180 1 73 . 1 1 14 14 LYS CA C 13 54.812 0.300 . 1 . . . . 14 LYS CA . 10180 1 74 . 1 1 14 14 LYS HA H 1 5.127 0.030 . 1 . . . . 14 LYS HA . 10180 1 75 . 1 1 14 14 LYS CB C 13 35.391 0.300 . 1 . . . . 14 LYS CB . 10180 1 76 . 1 1 14 14 LYS HB3 H 1 1.646 0.030 . 2 . . . . 14 LYS HB3 . 10180 1 77 . 1 1 14 14 LYS CG C 13 24.567 0.300 . 1 . . . . 14 LYS CG . 10180 1 78 . 1 1 14 14 LYS HG3 H 1 1.235 0.030 . 2 . . . . 14 LYS HG3 . 10180 1 79 . 1 1 14 14 LYS CD C 13 29.235 0.300 . 1 . . . . 14 LYS CD . 10180 1 80 . 1 1 14 14 LYS HD3 H 1 1.581 0.030 . 1 . . . . 14 LYS HD3 . 10180 1 81 . 1 1 14 14 LYS CE C 13 42.117 0.300 . 1 . . . . 14 LYS CE . 10180 1 82 . 1 1 14 14 LYS C C 13 175.398 0.300 . 1 . . . . 14 LYS C . 10180 1 83 . 1 1 14 14 LYS HB2 H 1 1.591 0.030 . 2 . . . . 14 LYS HB2 . 10180 1 84 . 1 1 14 14 LYS HD2 H 1 1.581 0.030 . 1 . . . . 14 LYS HD2 . 10180 1 85 . 1 1 14 14 LYS HE2 H 1 2.929 0.030 . 2 . . . . 14 LYS HE2 . 10180 1 86 . 1 1 14 14 LYS HG2 H 1 1.170 0.030 . 2 . . . . 14 LYS HG2 . 10180 1 87 . 1 1 15 15 CYS N N 15 126.096 0.300 . 1 . . . . 15 CYS N . 10180 1 88 . 1 1 15 15 CYS H H 1 9.178 0.030 . 1 . . . . 15 CYS H . 10180 1 89 . 1 1 15 15 CYS CA C 13 59.645 0.300 . 1 . . . . 15 CYS CA . 10180 1 90 . 1 1 15 15 CYS HA H 1 4.650 0.030 . 1 . . . . 15 CYS HA . 10180 1 91 . 1 1 15 15 CYS CB C 13 30.010 0.300 . 1 . . . . 15 CYS CB . 10180 1 92 . 1 1 15 15 CYS HB3 H 1 3.407 0.030 . 2 . . . . 15 CYS HB3 . 10180 1 93 . 1 1 15 15 CYS C C 13 177.625 0.300 . 1 . . . . 15 CYS C . 10180 1 94 . 1 1 15 15 CYS HB2 H 1 2.938 0.030 . 2 . . . . 15 CYS HB2 . 10180 1 95 . 1 1 16 16 GLU N N 15 115.168 0.300 . 1 . . . . 16 GLU N . 10180 1 96 . 1 1 16 16 GLU H H 1 9.873 0.030 . 1 . . . . 16 GLU H . 10180 1 97 . 1 1 16 16 GLU CA C 13 58.804 0.300 . 1 . . . . 16 GLU CA . 10180 1 98 . 1 1 16 16 GLU HA H 1 4.169 0.030 . 1 . . . . 16 GLU HA . 10180 1 99 . 1 1 16 16 GLU CB C 13 29.630 0.300 . 1 . . . . 16 GLU CB . 10180 1 100 . 1 1 16 16 GLU HB3 H 1 2.211 0.030 . 2 . . . . 16 GLU HB3 . 10180 1 101 . 1 1 16 16 GLU CG C 13 36.461 0.300 . 1 . . . . 16 GLU CG . 10180 1 102 . 1 1 16 16 GLU HG3 H 1 2.500 0.030 . 2 . . . . 16 GLU HG3 . 10180 1 103 . 1 1 16 16 GLU C C 13 176.727 0.300 . 1 . . . . 16 GLU C . 10180 1 104 . 1 1 16 16 GLU HB2 H 1 2.106 0.030 . 2 . . . . 16 GLU HB2 . 10180 1 105 . 1 1 16 16 GLU HG2 H 1 2.398 0.030 . 2 . . . . 16 GLU HG2 . 10180 1 106 . 1 1 17 17 GLU N N 15 120.669 0.300 . 1 . . . . 17 GLU N . 10180 1 107 . 1 1 17 17 GLU H H 1 8.841 0.030 . 1 . . . . 17 GLU H . 10180 1 108 . 1 1 17 17 GLU CA C 13 58.374 0.300 . 1 . . . . 17 GLU CA . 10180 1 109 . 1 1 17 17 GLU HA H 1 4.246 0.030 . 1 . . . . 17 GLU HA . 10180 1 110 . 1 1 17 17 GLU CB C 13 29.475 0.300 . 1 . . . . 17 GLU CB . 10180 1 111 . 1 1 17 17 GLU HB3 H 1 1.378 0.030 . 1 . . . . 17 GLU HB3 . 10180 1 112 . 1 1 17 17 GLU CG C 13 35.575 0.300 . 1 . . . . 17 GLU CG . 10180 1 113 . 1 1 17 17 GLU HG3 H 1 1.874 0.030 . 2 . . . . 17 GLU HG3 . 10180 1 114 . 1 1 17 17 GLU C C 13 177.380 0.300 . 1 . . . . 17 GLU C . 10180 1 115 . 1 1 17 17 GLU HB2 H 1 1.378 0.030 . 1 . . . . 17 GLU HB2 . 10180 1 116 . 1 1 17 17 GLU HG2 H 1 1.795 0.030 . 2 . . . . 17 GLU HG2 . 10180 1 117 . 1 1 18 18 CYS N N 15 114.881 0.300 . 1 . . . . 18 CYS N . 10180 1 118 . 1 1 18 18 CYS H H 1 8.097 0.030 . 1 . . . . 18 CYS H . 10180 1 119 . 1 1 18 18 CYS CA C 13 58.406 0.300 . 1 . . . . 18 CYS CA . 10180 1 120 . 1 1 18 18 CYS HA H 1 5.201 0.030 . 1 . . . . 18 CYS HA . 10180 1 121 . 1 1 18 18 CYS CB C 13 32.573 0.300 . 1 . . . . 18 CYS CB . 10180 1 122 . 1 1 18 18 CYS HB3 H 1 3.467 0.030 . 2 . . . . 18 CYS HB3 . 10180 1 123 . 1 1 18 18 CYS C C 13 176.431 0.300 . 1 . . . . 18 CYS C . 10180 1 124 . 1 1 18 18 CYS HB2 H 1 2.887 0.030 . 2 . . . . 18 CYS HB2 . 10180 1 125 . 1 1 19 19 GLY N N 15 113.739 0.300 . 1 . . . . 19 GLY N . 10180 1 126 . 1 1 19 19 GLY H H 1 8.213 0.030 . 1 . . . . 19 GLY H . 10180 1 127 . 1 1 19 19 GLY CA C 13 46.251 0.300 . 1 . . . . 19 GLY CA . 10180 1 128 . 1 1 19 19 GLY HA3 H 1 4.264 0.030 . 2 . . . . 19 GLY HA3 . 10180 1 129 . 1 1 19 19 GLY C C 13 173.590 0.300 . 1 . . . . 19 GLY C . 10180 1 130 . 1 1 19 19 GLY HA2 H 1 3.805 0.030 . 2 . . . . 19 GLY HA2 . 10180 1 131 . 1 1 20 20 LYS N N 15 123.026 0.300 . 1 . . . . 20 LYS N . 10180 1 132 . 1 1 20 20 LYS H H 1 7.945 0.030 . 1 . . . . 20 LYS H . 10180 1 133 . 1 1 20 20 LYS CA C 13 58.313 0.300 . 1 . . . . 20 LYS CA . 10180 1 134 . 1 1 20 20 LYS HA H 1 3.959 0.030 . 1 . . . . 20 LYS HA . 10180 1 135 . 1 1 20 20 LYS CB C 13 33.856 0.300 . 1 . . . . 20 LYS CB . 10180 1 136 . 1 1 20 20 LYS HB3 H 1 1.488 0.030 . 2 . . . . 20 LYS HB3 . 10180 1 137 . 1 1 20 20 LYS CG C 13 26.232 0.300 . 1 . . . . 20 LYS CG . 10180 1 138 . 1 1 20 20 LYS HG3 H 1 1.465 0.030 . 2 . . . . 20 LYS HG3 . 10180 1 139 . 1 1 20 20 LYS CD C 13 29.452 0.300 . 1 . . . . 20 LYS CD . 10180 1 140 . 1 1 20 20 LYS HD3 H 1 1.542 0.030 . 2 . . . . 20 LYS HD3 . 10180 1 141 . 1 1 20 20 LYS CE C 13 42.110 0.300 . 1 . . . . 20 LYS CE . 10180 1 142 . 1 1 20 20 LYS C C 13 174.525 0.300 . 1 . . . . 20 LYS C . 10180 1 143 . 1 1 20 20 LYS HB2 H 1 1.280 0.030 . 2 . . . . 20 LYS HB2 . 10180 1 144 . 1 1 20 20 LYS HD2 H 1 1.465 0.030 . 2 . . . . 20 LYS HD2 . 10180 1 145 . 1 1 20 20 LYS HE2 H 1 2.941 0.030 . 2 . . . . 20 LYS HE2 . 10180 1 146 . 1 1 20 20 LYS HG2 H 1 1.086 0.030 . 2 . . . . 20 LYS HG2 . 10180 1 147 . 1 1 21 21 GLY N N 15 108.257 0.300 . 1 . . . . 21 GLY N . 10180 1 148 . 1 1 21 21 GLY H H 1 7.930 0.030 . 1 . . . . 21 GLY H . 10180 1 149 . 1 1 21 21 GLY CA C 13 44.040 0.300 . 1 . . . . 21 GLY CA . 10180 1 150 . 1 1 21 21 GLY HA3 H 1 4.917 0.030 . 2 . . . . 21 GLY HA3 . 10180 1 151 . 1 1 21 21 GLY C C 13 172.346 0.300 . 1 . . . . 21 GLY C . 10180 1 152 . 1 1 21 21 GLY HA2 H 1 3.302 0.030 . 2 . . . . 21 GLY HA2 . 10180 1 153 . 1 1 22 22 PHE N N 15 117.898 0.300 . 1 . . . . 22 PHE N . 10180 1 154 . 1 1 22 22 PHE H H 1 8.698 0.030 . 1 . . . . 22 PHE H . 10180 1 155 . 1 1 22 22 PHE CA C 13 57.478 0.300 . 1 . . . . 22 PHE CA . 10180 1 156 . 1 1 22 22 PHE HA H 1 4.736 0.030 . 1 . . . . 22 PHE HA . 10180 1 157 . 1 1 22 22 PHE CB C 13 43.762 0.300 . 1 . . . . 22 PHE CB . 10180 1 158 . 1 1 22 22 PHE HB3 H 1 3.451 0.030 . 2 . . . . 22 PHE HB3 . 10180 1 159 . 1 1 22 22 PHE CD1 C 13 132.358 0.300 . 1 . . . . 22 PHE CD1 . 10180 1 160 . 1 1 22 22 PHE HD1 H 1 7.252 0.030 . 1 . . . . 22 PHE HD1 . 10180 1 161 . 1 1 22 22 PHE CD2 C 13 132.358 0.300 . 1 . . . . 22 PHE CD2 . 10180 1 162 . 1 1 22 22 PHE HD2 H 1 7.252 0.030 . 1 . . . . 22 PHE HD2 . 10180 1 163 . 1 1 22 22 PHE CE1 C 13 130.744 0.300 . 1 . . . . 22 PHE CE1 . 10180 1 164 . 1 1 22 22 PHE HE1 H 1 6.825 0.030 . 1 . . . . 22 PHE HE1 . 10180 1 165 . 1 1 22 22 PHE CE2 C 13 130.744 0.300 . 1 . . . . 22 PHE CE2 . 10180 1 166 . 1 1 22 22 PHE HE2 H 1 6.825 0.030 . 1 . . . . 22 PHE HE2 . 10180 1 167 . 1 1 22 22 PHE CZ C 13 128.596 0.300 . 1 . . . . 22 PHE CZ . 10180 1 168 . 1 1 22 22 PHE HZ H 1 6.115 0.030 . 1 . . . . 22 PHE HZ . 10180 1 169 . 1 1 22 22 PHE C C 13 175.511 0.300 . 1 . . . . 22 PHE C . 10180 1 170 . 1 1 22 22 PHE HB2 H 1 2.627 0.030 . 2 . . . . 22 PHE HB2 . 10180 1 171 . 1 1 23 23 ILE N N 15 117.272 0.300 . 1 . . . . 23 ILE N . 10180 1 172 . 1 1 23 23 ILE H H 1 9.358 0.030 . 1 . . . . 23 ILE H . 10180 1 173 . 1 1 23 23 ILE CA C 13 62.295 0.300 . 1 . . . . 23 ILE CA . 10180 1 174 . 1 1 23 23 ILE HA H 1 4.392 0.030 . 1 . . . . 23 ILE HA . 10180 1 175 . 1 1 23 23 ILE CB C 13 39.428 0.300 . 1 . . . . 23 ILE CB . 10180 1 176 . 1 1 23 23 ILE HB H 1 2.139 0.030 . 1 . . . . 23 ILE HB . 10180 1 177 . 1 1 23 23 ILE CG1 C 13 27.886 0.300 . 1 . . . . 23 ILE CG1 . 10180 1 178 . 1 1 23 23 ILE HG13 H 1 1.552 0.030 . 2 . . . . 23 ILE HG13 . 10180 1 179 . 1 1 23 23 ILE CG2 C 13 18.161 0.300 . 1 . . . . 23 ILE CG2 . 10180 1 180 . 1 1 23 23 ILE HG21 H 1 1.082 0.030 . 1 . . . . 23 ILE HG2 . 10180 1 181 . 1 1 23 23 ILE HG22 H 1 1.082 0.030 . 1 . . . . 23 ILE HG2 . 10180 1 182 . 1 1 23 23 ILE HG23 H 1 1.082 0.030 . 1 . . . . 23 ILE HG2 . 10180 1 183 . 1 1 23 23 ILE CD1 C 13 13.983 0.300 . 1 . . . . 23 ILE CD1 . 10180 1 184 . 1 1 23 23 ILE HD11 H 1 0.978 0.030 . 1 . . . . 23 ILE HD1 . 10180 1 185 . 1 1 23 23 ILE HD12 H 1 0.978 0.030 . 1 . . . . 23 ILE HD1 . 10180 1 186 . 1 1 23 23 ILE HD13 H 1 0.978 0.030 . 1 . . . . 23 ILE HD1 . 10180 1 187 . 1 1 23 23 ILE C C 13 175.245 0.300 . 1 . . . . 23 ILE C . 10180 1 188 . 1 1 23 23 ILE HG12 H 1 1.484 0.030 . 2 . . . . 23 ILE HG12 . 10180 1 189 . 1 1 24 24 CYS N N 15 112.667 0.300 . 1 . . . . 24 CYS N . 10180 1 190 . 1 1 24 24 CYS H H 1 7.593 0.030 . 1 . . . . 24 CYS H . 10180 1 191 . 1 1 24 24 CYS CA C 13 55.415 0.300 . 1 . . . . 24 CYS CA . 10180 1 192 . 1 1 24 24 CYS HA H 1 4.902 0.030 . 1 . . . . 24 CYS HA . 10180 1 193 . 1 1 24 24 CYS CB C 13 30.722 0.300 . 1 . . . . 24 CYS CB . 10180 1 194 . 1 1 24 24 CYS HB3 H 1 3.163 0.030 . 2 . . . . 24 CYS HB3 . 10180 1 195 . 1 1 24 24 CYS C C 13 173.592 0.300 . 1 . . . . 24 CYS C . 10180 1 196 . 1 1 24 24 CYS HB2 H 1 3.058 0.030 . 2 . . . . 24 CYS HB2 . 10180 1 197 . 1 1 25 25 ARG N N 15 124.960 0.300 . 1 . . . . 25 ARG N . 10180 1 198 . 1 1 25 25 ARG H H 1 8.413 0.030 . 1 . . . . 25 ARG H . 10180 1 199 . 1 1 25 25 ARG CA C 13 59.380 0.300 . 1 . . . . 25 ARG CA . 10180 1 200 . 1 1 25 25 ARG HA H 1 3.000 0.030 . 1 . . . . 25 ARG HA . 10180 1 201 . 1 1 25 25 ARG CB C 13 29.593 0.300 . 1 . . . . 25 ARG CB . 10180 1 202 . 1 1 25 25 ARG HB3 H 1 1.364 0.030 . 2 . . . . 25 ARG HB3 . 10180 1 203 . 1 1 25 25 ARG CG C 13 27.598 0.300 . 1 . . . . 25 ARG CG . 10180 1 204 . 1 1 25 25 ARG HG3 H 1 1.065 0.030 . 2 . . . . 25 ARG HG3 . 10180 1 205 . 1 1 25 25 ARG CD C 13 43.314 0.300 . 1 . . . . 25 ARG CD . 10180 1 206 . 1 1 25 25 ARG HD3 H 1 3.049 0.030 . 1 . . . . 25 ARG HD3 . 10180 1 207 . 1 1 25 25 ARG C C 13 177.723 0.300 . 1 . . . . 25 ARG C . 10180 1 208 . 1 1 25 25 ARG HB2 H 1 1.254 0.030 . 2 . . . . 25 ARG HB2 . 10180 1 209 . 1 1 25 25 ARG HD2 H 1 3.049 0.030 . 1 . . . . 25 ARG HD2 . 10180 1 210 . 1 1 25 25 ARG HG2 H 1 1.002 0.030 . 2 . . . . 25 ARG HG2 . 10180 1 211 . 1 1 26 26 ARG N N 15 119.340 0.300 . 1 . . . . 26 ARG N . 10180 1 212 . 1 1 26 26 ARG H H 1 8.556 0.030 . 1 . . . . 26 ARG H . 10180 1 213 . 1 1 26 26 ARG CA C 13 59.426 0.300 . 1 . . . . 26 ARG CA . 10180 1 214 . 1 1 26 26 ARG HA H 1 3.916 0.030 . 1 . . . . 26 ARG HA . 10180 1 215 . 1 1 26 26 ARG CB C 13 29.598 0.300 . 1 . . . . 26 ARG CB . 10180 1 216 . 1 1 26 26 ARG HB3 H 1 1.896 0.030 . 2 . . . . 26 ARG HB3 . 10180 1 217 . 1 1 26 26 ARG CG C 13 26.952 0.300 . 1 . . . . 26 ARG CG . 10180 1 218 . 1 1 26 26 ARG HG3 H 1 1.688 0.030 . 2 . . . . 26 ARG HG3 . 10180 1 219 . 1 1 26 26 ARG CD C 13 43.238 0.300 . 1 . . . . 26 ARG CD . 10180 1 220 . 1 1 26 26 ARG HD3 H 1 3.177 0.030 . 1 . . . . 26 ARG HD3 . 10180 1 221 . 1 1 26 26 ARG C C 13 178.094 0.300 . 1 . . . . 26 ARG C . 10180 1 222 . 1 1 26 26 ARG HB2 H 1 1.763 0.030 . 2 . . . . 26 ARG HB2 . 10180 1 223 . 1 1 26 26 ARG HD2 H 1 3.177 0.030 . 1 . . . . 26 ARG HD2 . 10180 1 224 . 1 1 26 26 ARG HG2 H 1 1.601 0.030 . 2 . . . . 26 ARG HG2 . 10180 1 225 . 1 1 27 27 ASP N N 15 119.260 0.300 . 1 . . . . 27 ASP N . 10180 1 226 . 1 1 27 27 ASP H H 1 7.230 0.030 . 1 . . . . 27 ASP H . 10180 1 227 . 1 1 27 27 ASP CA C 13 56.644 0.300 . 1 . . . . 27 ASP CA . 10180 1 228 . 1 1 27 27 ASP HA H 1 4.313 0.030 . 1 . . . . 27 ASP HA . 10180 1 229 . 1 1 27 27 ASP CB C 13 40.265 0.300 . 1 . . . . 27 ASP CB . 10180 1 230 . 1 1 27 27 ASP HB3 H 1 2.830 0.030 . 1 . . . . 27 ASP HB3 . 10180 1 231 . 1 1 27 27 ASP C C 13 178.277 0.300 . 1 . . . . 27 ASP C . 10180 1 232 . 1 1 27 27 ASP HB2 H 1 2.830 0.030 . 1 . . . . 27 ASP HB2 . 10180 1 233 . 1 1 28 28 LEU N N 15 122.446 0.300 . 1 . . . . 28 LEU N . 10180 1 234 . 1 1 28 28 LEU H H 1 6.896 0.030 . 1 . . . . 28 LEU H . 10180 1 235 . 1 1 28 28 LEU CA C 13 57.691 0.300 . 1 . . . . 28 LEU CA . 10180 1 236 . 1 1 28 28 LEU HA H 1 3.060 0.030 . 1 . . . . 28 LEU HA . 10180 1 237 . 1 1 28 28 LEU CB C 13 40.529 0.300 . 1 . . . . 28 LEU CB . 10180 1 238 . 1 1 28 28 LEU HB3 H 1 1.814 0.030 . 2 . . . . 28 LEU HB3 . 10180 1 239 . 1 1 28 28 LEU CG C 13 27.324 0.300 . 1 . . . . 28 LEU CG . 10180 1 240 . 1 1 28 28 LEU HG H 1 1.222 0.030 . 1 . . . . 28 LEU HG . 10180 1 241 . 1 1 28 28 LEU CD1 C 13 26.497 0.300 . 2 . . . . 28 LEU CD1 . 10180 1 242 . 1 1 28 28 LEU HD11 H 1 0.984 0.030 . 1 . . . . 28 LEU HD1 . 10180 1 243 . 1 1 28 28 LEU HD12 H 1 0.984 0.030 . 1 . . . . 28 LEU HD1 . 10180 1 244 . 1 1 28 28 LEU HD13 H 1 0.984 0.030 . 1 . . . . 28 LEU HD1 . 10180 1 245 . 1 1 28 28 LEU CD2 C 13 22.662 0.300 . 2 . . . . 28 LEU CD2 . 10180 1 246 . 1 1 28 28 LEU HD21 H 1 0.904 0.030 . 1 . . . . 28 LEU HD2 . 10180 1 247 . 1 1 28 28 LEU HD22 H 1 0.904 0.030 . 1 . . . . 28 LEU HD2 . 10180 1 248 . 1 1 28 28 LEU HD23 H 1 0.904 0.030 . 1 . . . . 28 LEU HD2 . 10180 1 249 . 1 1 28 28 LEU C C 13 176.873 0.300 . 1 . . . . 28 LEU C . 10180 1 250 . 1 1 28 28 LEU HB2 H 1 1.085 0.030 . 2 . . . . 28 LEU HB2 . 10180 1 251 . 1 1 29 29 TYR N N 15 118.891 0.300 . 1 . . . . 29 TYR N . 10180 1 252 . 1 1 29 29 TYR H H 1 8.132 0.030 . 1 . . . . 29 TYR H . 10180 1 253 . 1 1 29 29 TYR CA C 13 59.994 0.300 . 1 . . . . 29 TYR CA . 10180 1 254 . 1 1 29 29 TYR HA H 1 4.244 0.030 . 1 . . . . 29 TYR HA . 10180 1 255 . 1 1 29 29 TYR CB C 13 36.781 0.300 . 1 . . . . 29 TYR CB . 10180 1 256 . 1 1 29 29 TYR HB3 H 1 3.136 0.030 . 2 . . . . 29 TYR HB3 . 10180 1 257 . 1 1 29 29 TYR CD1 C 13 132.301 0.300 . 1 . . . . 29 TYR CD1 . 10180 1 258 . 1 1 29 29 TYR HD1 H 1 7.027 0.030 . 1 . . . . 29 TYR HD1 . 10180 1 259 . 1 1 29 29 TYR CD2 C 13 132.301 0.300 . 1 . . . . 29 TYR CD2 . 10180 1 260 . 1 1 29 29 TYR HD2 H 1 7.027 0.030 . 1 . . . . 29 TYR HD2 . 10180 1 261 . 1 1 29 29 TYR CE1 C 13 117.972 0.300 . 1 . . . . 29 TYR CE1 . 10180 1 262 . 1 1 29 29 TYR HE1 H 1 6.764 0.030 . 1 . . . . 29 TYR HE1 . 10180 1 263 . 1 1 29 29 TYR CE2 C 13 117.972 0.300 . 1 . . . . 29 TYR CE2 . 10180 1 264 . 1 1 29 29 TYR HE2 H 1 6.764 0.030 . 1 . . . . 29 TYR HE2 . 10180 1 265 . 1 1 29 29 TYR C C 13 179.157 0.300 . 1 . . . . 29 TYR C . 10180 1 266 . 1 1 29 29 TYR HB2 H 1 3.058 0.030 . 2 . . . . 29 TYR HB2 . 10180 1 267 . 1 1 30 30 THR N N 15 115.895 0.300 . 1 . . . . 30 THR N . 10180 1 268 . 1 1 30 30 THR H H 1 8.209 0.030 . 1 . . . . 30 THR H . 10180 1 269 . 1 1 30 30 THR CA C 13 66.204 0.300 . 1 . . . . 30 THR CA . 10180 1 270 . 1 1 30 30 THR HA H 1 3.916 0.030 . 1 . . . . 30 THR HA . 10180 1 271 . 1 1 30 30 THR CB C 13 68.718 0.300 . 1 . . . . 30 THR CB . 10180 1 272 . 1 1 30 30 THR HB H 1 4.150 0.030 . 1 . . . . 30 THR HB . 10180 1 273 . 1 1 30 30 THR CG2 C 13 22.136 0.300 . 1 . . . . 30 THR CG2 . 10180 1 274 . 1 1 30 30 THR HG21 H 1 1.254 0.030 . 1 . . . . 30 THR HG2 . 10180 1 275 . 1 1 30 30 THR HG22 H 1 1.254 0.030 . 1 . . . . 30 THR HG2 . 10180 1 276 . 1 1 30 30 THR HG23 H 1 1.254 0.030 . 1 . . . . 30 THR HG2 . 10180 1 277 . 1 1 30 30 THR C C 13 176.781 0.300 . 1 . . . . 30 THR C . 10180 1 278 . 1 1 31 31 HIS N N 15 122.097 0.300 . 1 . . . . 31 HIS N . 10180 1 279 . 1 1 31 31 HIS H H 1 7.587 0.030 . 1 . . . . 31 HIS H . 10180 1 280 . 1 1 31 31 HIS CA C 13 59.221 0.300 . 1 . . . . 31 HIS CA . 10180 1 281 . 1 1 31 31 HIS HA H 1 4.204 0.030 . 1 . . . . 31 HIS HA . 10180 1 282 . 1 1 31 31 HIS CB C 13 28.238 0.300 . 1 . . . . 31 HIS CB . 10180 1 283 . 1 1 31 31 HIS HB3 H 1 3.078 0.030 . 2 . . . . 31 HIS HB3 . 10180 1 284 . 1 1 31 31 HIS CD2 C 13 127.337 0.300 . 1 . . . . 31 HIS CD2 . 10180 1 285 . 1 1 31 31 HIS HD2 H 1 6.973 0.030 . 1 . . . . 31 HIS HD2 . 10180 1 286 . 1 1 31 31 HIS CE1 C 13 139.545 0.300 . 1 . . . . 31 HIS CE1 . 10180 1 287 . 1 1 31 31 HIS HE1 H 1 8.016 0.030 . 1 . . . . 31 HIS HE1 . 10180 1 288 . 1 1 31 31 HIS C C 13 176.085 0.300 . 1 . . . . 31 HIS C . 10180 1 289 . 1 1 31 31 HIS HB2 H 1 2.784 0.030 . 2 . . . . 31 HIS HB2 . 10180 1 290 . 1 1 32 32 HIS N N 15 117.054 0.300 . 1 . . . . 32 HIS N . 10180 1 291 . 1 1 32 32 HIS H H 1 8.430 0.030 . 1 . . . . 32 HIS H . 10180 1 292 . 1 1 32 32 HIS CA C 13 59.270 0.300 . 1 . . . . 32 HIS CA . 10180 1 293 . 1 1 32 32 HIS HA H 1 4.057 0.030 . 1 . . . . 32 HIS HA . 10180 1 294 . 1 1 32 32 HIS CB C 13 30.135 0.300 . 1 . . . . 32 HIS CB . 10180 1 295 . 1 1 32 32 HIS HB3 H 1 3.413 0.030 . 2 . . . . 32 HIS HB3 . 10180 1 296 . 1 1 32 32 HIS CD2 C 13 119.442 0.300 . 1 . . . . 32 HIS CD2 . 10180 1 297 . 1 1 32 32 HIS HD2 H 1 7.388 0.030 . 1 . . . . 32 HIS HD2 . 10180 1 298 . 1 1 32 32 HIS CE1 C 13 137.866 0.300 . 1 . . . . 32 HIS CE1 . 10180 1 299 . 1 1 32 32 HIS HE1 H 1 7.984 0.030 . 1 . . . . 32 HIS HE1 . 10180 1 300 . 1 1 32 32 HIS C C 13 176.903 0.300 . 1 . . . . 32 HIS C . 10180 1 301 . 1 1 32 32 HIS HB2 H 1 3.150 0.030 . 2 . . . . 32 HIS HB2 . 10180 1 302 . 1 1 33 33 MET N N 15 115.224 0.300 . 1 . . . . 33 MET N . 10180 1 303 . 1 1 33 33 MET H H 1 7.167 0.030 . 1 . . . . 33 MET H . 10180 1 304 . 1 1 33 33 MET CA C 13 57.787 0.300 . 1 . . . . 33 MET CA . 10180 1 305 . 1 1 33 33 MET HA H 1 4.232 0.030 . 1 . . . . 33 MET HA . 10180 1 306 . 1 1 33 33 MET CB C 13 32.279 0.300 . 1 . . . . 33 MET CB . 10180 1 307 . 1 1 33 33 MET HB3 H 1 2.084 0.030 . 1 . . . . 33 MET HB3 . 10180 1 308 . 1 1 33 33 MET CG C 13 32.276 0.300 . 1 . . . . 33 MET CG . 10180 1 309 . 1 1 33 33 MET HG3 H 1 2.707 0.030 . 2 . . . . 33 MET HG3 . 10180 1 310 . 1 1 33 33 MET CE C 13 17.220 0.300 . 1 . . . . 33 MET CE . 10180 1 311 . 1 1 33 33 MET HE1 H 1 2.065 0.030 . 1 . . . . 33 MET HE . 10180 1 312 . 1 1 33 33 MET HE2 H 1 2.065 0.030 . 1 . . . . 33 MET HE . 10180 1 313 . 1 1 33 33 MET HE3 H 1 2.065 0.030 . 1 . . . . 33 MET HE . 10180 1 314 . 1 1 33 33 MET C C 13 178.493 0.300 . 1 . . . . 33 MET C . 10180 1 315 . 1 1 33 33 MET HB2 H 1 2.084 0.030 . 1 . . . . 33 MET HB2 . 10180 1 316 . 1 1 33 33 MET HG2 H 1 2.534 0.030 . 2 . . . . 33 MET HG2 . 10180 1 317 . 1 1 34 34 VAL N N 15 117.328 0.300 . 1 . . . . 34 VAL N . 10180 1 318 . 1 1 34 34 VAL H H 1 8.026 0.030 . 1 . . . . 34 VAL H . 10180 1 319 . 1 1 34 34 VAL CA C 13 64.228 0.300 . 1 . . . . 34 VAL CA . 10180 1 320 . 1 1 34 34 VAL HA H 1 3.882 0.030 . 1 . . . . 34 VAL HA . 10180 1 321 . 1 1 34 34 VAL CB C 13 31.061 0.300 . 1 . . . . 34 VAL CB . 10180 1 322 . 1 1 34 34 VAL HB H 1 1.881 0.030 . 1 . . . . 34 VAL HB . 10180 1 323 . 1 1 34 34 VAL CG1 C 13 19.983 0.300 . 2 . . . . 34 VAL CG1 . 10180 1 324 . 1 1 34 34 VAL HG11 H 1 0.655 0.030 . 1 . . . . 34 VAL HG1 . 10180 1 325 . 1 1 34 34 VAL HG12 H 1 0.655 0.030 . 1 . . . . 34 VAL HG1 . 10180 1 326 . 1 1 34 34 VAL HG13 H 1 0.655 0.030 . 1 . . . . 34 VAL HG1 . 10180 1 327 . 1 1 34 34 VAL CG2 C 13 19.901 0.300 . 2 . . . . 34 VAL CG2 . 10180 1 328 . 1 1 34 34 VAL HG21 H 1 0.523 0.030 . 1 . . . . 34 VAL HG2 . 10180 1 329 . 1 1 34 34 VAL HG22 H 1 0.523 0.030 . 1 . . . . 34 VAL HG2 . 10180 1 330 . 1 1 34 34 VAL HG23 H 1 0.523 0.030 . 1 . . . . 34 VAL HG2 . 10180 1 331 . 1 1 34 34 VAL C C 13 177.569 0.300 . 1 . . . . 34 VAL C . 10180 1 332 . 1 1 35 35 HIS N N 15 117.001 0.300 . 1 . . . . 35 HIS N . 10180 1 333 . 1 1 35 35 HIS H H 1 7.262 0.030 . 1 . . . . 35 HIS H . 10180 1 334 . 1 1 35 35 HIS CA C 13 55.398 0.300 . 1 . . . . 35 HIS CA . 10180 1 335 . 1 1 35 35 HIS HA H 1 4.799 0.030 . 1 . . . . 35 HIS HA . 10180 1 336 . 1 1 35 35 HIS CB C 13 28.605 0.300 . 1 . . . . 35 HIS CB . 10180 1 337 . 1 1 35 35 HIS HB3 H 1 3.310 0.030 . 2 . . . . 35 HIS HB3 . 10180 1 338 . 1 1 35 35 HIS CD2 C 13 127.549 0.300 . 1 . . . . 35 HIS CD2 . 10180 1 339 . 1 1 35 35 HIS HD2 H 1 6.664 0.030 . 1 . . . . 35 HIS HD2 . 10180 1 340 . 1 1 35 35 HIS CE1 C 13 139.965 0.300 . 1 . . . . 35 HIS CE1 . 10180 1 341 . 1 1 35 35 HIS HE1 H 1 8.049 0.030 . 1 . . . . 35 HIS HE1 . 10180 1 342 . 1 1 35 35 HIS C C 13 175.891 0.300 . 1 . . . . 35 HIS C . 10180 1 343 . 1 1 35 35 HIS HB2 H 1 3.012 0.030 . 2 . . . . 35 HIS HB2 . 10180 1 344 . 1 1 36 36 THR N N 15 110.979 0.300 . 1 . . . . 36 THR N . 10180 1 345 . 1 1 36 36 THR H H 1 7.665 0.030 . 1 . . . . 36 THR H . 10180 1 346 . 1 1 36 36 THR CA C 13 62.565 0.300 . 1 . . . . 36 THR CA . 10180 1 347 . 1 1 36 36 THR HA H 1 4.329 0.030 . 1 . . . . 36 THR HA . 10180 1 348 . 1 1 36 36 THR CB C 13 69.832 0.300 . 1 . . . . 36 THR CB . 10180 1 349 . 1 1 36 36 THR HB H 1 4.324 0.030 . 1 . . . . 36 THR HB . 10180 1 350 . 1 1 36 36 THR CG2 C 13 21.719 0.300 . 1 . . . . 36 THR CG2 . 10180 1 351 . 1 1 36 36 THR HG21 H 1 1.191 0.030 . 1 . . . . 36 THR HG2 . 10180 1 352 . 1 1 36 36 THR HG22 H 1 1.191 0.030 . 1 . . . . 36 THR HG2 . 10180 1 353 . 1 1 36 36 THR HG23 H 1 1.191 0.030 . 1 . . . . 36 THR HG2 . 10180 1 354 . 1 1 36 36 THR C C 13 175.484 0.300 . 1 . . . . 36 THR C . 10180 1 355 . 1 1 37 37 GLY N N 15 110.523 0.300 . 1 . . . . 37 GLY N . 10180 1 356 . 1 1 37 37 GLY H H 1 8.180 0.030 . 1 . . . . 37 GLY H . 10180 1 357 . 1 1 37 37 GLY CA C 13 45.329 0.300 . 1 . . . . 37 GLY CA . 10180 1 358 . 1 1 37 37 GLY HA3 H 1 4.019 0.030 . 2 . . . . 37 GLY HA3 . 10180 1 359 . 1 1 37 37 GLY C C 13 174.008 0.300 . 1 . . . . 37 GLY C . 10180 1 360 . 1 1 37 37 GLY HA2 H 1 3.962 0.030 . 2 . . . . 37 GLY HA2 . 10180 1 361 . 1 1 38 38 GLU N N 15 120.488 0.300 . 1 . . . . 38 GLU N . 10180 1 362 . 1 1 38 38 GLU H H 1 8.069 0.030 . 1 . . . . 38 GLU H . 10180 1 363 . 1 1 38 38 GLU CA C 13 56.503 0.300 . 1 . . . . 38 GLU CA . 10180 1 364 . 1 1 38 38 GLU HA H 1 4.246 0.030 . 1 . . . . 38 GLU HA . 10180 1 365 . 1 1 38 38 GLU CB C 13 30.654 0.300 . 1 . . . . 38 GLU CB . 10180 1 366 . 1 1 38 38 GLU HB3 H 1 2.003 0.030 . 2 . . . . 38 GLU HB3 . 10180 1 367 . 1 1 38 38 GLU CG C 13 36.340 0.300 . 1 . . . . 38 GLU CG . 10180 1 368 . 1 1 38 38 GLU HG3 H 1 2.275 0.030 . 2 . . . . 38 GLU HG3 . 10180 1 369 . 1 1 38 38 GLU HB2 H 1 1.915 0.030 . 2 . . . . 38 GLU HB2 . 10180 1 370 . 1 1 38 38 GLU HG2 H 1 2.219 0.030 . 2 . . . . 38 GLU HG2 . 10180 1 371 . 1 1 39 39 LYS N N 15 123.332 0.300 . 1 . . . . 39 LYS N . 10180 1 372 . 1 1 39 39 LYS H H 1 8.335 0.030 . 1 . . . . 39 LYS H . 10180 1 373 . 1 1 39 39 LYS CA C 13 53.992 0.300 . 1 . . . . 39 LYS CA . 10180 1 374 . 1 1 39 39 LYS HA H 1 4.632 0.030 . 1 . . . . 39 LYS HA . 10180 1 375 . 1 1 39 39 LYS CB C 13 32.631 0.300 . 1 . . . . 39 LYS CB . 10180 1 376 . 1 1 39 39 LYS HB3 H 1 1.817 0.030 . 2 . . . . 39 LYS HB3 . 10180 1 377 . 1 1 39 39 LYS CG C 13 24.511 0.300 . 1 . . . . 39 LYS CG . 10180 1 378 . 1 1 39 39 LYS HG3 H 1 1.468 0.030 . 1 . . . . 39 LYS HG3 . 10180 1 379 . 1 1 39 39 LYS CD C 13 29.150 0.300 . 1 . . . . 39 LYS CD . 10180 1 380 . 1 1 39 39 LYS HD3 H 1 1.690 0.030 . 1 . . . . 39 LYS HD3 . 10180 1 381 . 1 1 39 39 LYS CE C 13 42.219 0.300 . 1 . . . . 39 LYS CE . 10180 1 382 . 1 1 39 39 LYS HE3 H 1 3.002 0.030 . 1 . . . . 39 LYS HE3 . 10180 1 383 . 1 1 39 39 LYS HB2 H 1 1.715 0.030 . 2 . . . . 39 LYS HB2 . 10180 1 384 . 1 1 39 39 LYS HD2 H 1 1.690 0.030 . 1 . . . . 39 LYS HD2 . 10180 1 385 . 1 1 39 39 LYS HE2 H 1 3.002 0.030 . 1 . . . . 39 LYS HE2 . 10180 1 386 . 1 1 39 39 LYS HG2 H 1 1.468 0.030 . 1 . . . . 39 LYS HG2 . 10180 1 387 . 1 1 40 40 PRO CA C 13 63.250 0.300 . 1 . . . . 40 PRO CA . 10180 1 388 . 1 1 40 40 PRO HA H 1 4.474 0.030 . 1 . . . . 40 PRO HA . 10180 1 389 . 1 1 40 40 PRO CB C 13 32.174 0.300 . 1 . . . . 40 PRO CB . 10180 1 390 . 1 1 40 40 PRO HB3 H 1 1.947 0.030 . 2 . . . . 40 PRO HB3 . 10180 1 391 . 1 1 40 40 PRO CG C 13 27.461 0.300 . 1 . . . . 40 PRO CG . 10180 1 392 . 1 1 40 40 PRO HG3 H 1 2.017 0.030 . 1 . . . . 40 PRO HG3 . 10180 1 393 . 1 1 40 40 PRO CD C 13 50.711 0.300 . 1 . . . . 40 PRO CD . 10180 1 394 . 1 1 40 40 PRO HD3 H 1 3.829 0.030 . 2 . . . . 40 PRO HD3 . 10180 1 395 . 1 1 40 40 PRO HB2 H 1 2.319 0.030 . 2 . . . . 40 PRO HB2 . 10180 1 396 . 1 1 40 40 PRO HD2 H 1 3.630 0.030 . 2 . . . . 40 PRO HD2 . 10180 1 397 . 1 1 40 40 PRO HG2 H 1 2.017 0.030 . 1 . . . . 40 PRO HG2 . 10180 1 398 . 1 1 42 42 GLY CA C 13 44.688 0.300 . 1 . . . . 42 GLY CA . 10180 1 399 . 1 1 42 42 GLY HA3 H 1 4.109 0.030 . 2 . . . . 42 GLY HA3 . 10180 1 400 . 1 1 42 42 GLY HA2 H 1 4.169 0.030 . 2 . . . . 42 GLY HA2 . 10180 1 401 . 1 1 43 43 PRO CA C 13 63.207 0.300 . 1 . . . . 43 PRO CA . 10180 1 402 . 1 1 43 43 PRO HA H 1 4.465 0.030 . 1 . . . . 43 PRO HA . 10180 1 403 . 1 1 43 43 PRO CB C 13 32.213 0.300 . 1 . . . . 43 PRO CB . 10180 1 404 . 1 1 43 43 PRO HB3 H 1 1.983 0.030 . 2 . . . . 43 PRO HB3 . 10180 1 405 . 1 1 43 43 PRO CG C 13 27.171 0.300 . 1 . . . . 43 PRO CG . 10180 1 406 . 1 1 43 43 PRO HG3 H 1 2.024 0.030 . 1 . . . . 43 PRO HG3 . 10180 1 407 . 1 1 43 43 PRO CD C 13 49.807 0.300 . 1 . . . . 43 PRO CD . 10180 1 408 . 1 1 43 43 PRO HD3 H 1 3.636 0.030 . 1 . . . . 43 PRO HD3 . 10180 1 409 . 1 1 43 43 PRO HB2 H 1 2.303 0.030 . 2 . . . . 43 PRO HB2 . 10180 1 410 . 1 1 43 43 PRO HD2 H 1 3.636 0.030 . 1 . . . . 43 PRO HD2 . 10180 1 411 . 1 1 43 43 PRO HG2 H 1 2.024 0.030 . 1 . . . . 43 PRO HG2 . 10180 1 412 . 1 1 45 45 SER CA C 13 58.377 0.300 . 1 . . . . 45 SER CA . 10180 1 413 . 1 1 45 45 SER HA H 1 4.447 0.030 . 1 . . . . 45 SER HA . 10180 1 414 . 1 1 45 45 SER CB C 13 64.066 0.300 . 1 . . . . 45 SER CB . 10180 1 415 . 1 1 45 45 SER C C 13 173.889 0.300 . 1 . . . . 45 SER C . 10180 1 416 . 1 1 45 45 SER HB2 H 1 3.861 0.030 . 2 . . . . 45 SER HB2 . 10180 1 417 . 1 1 46 46 GLY N N 15 116.854 0.300 . 1 . . . . 46 GLY N . 10180 1 418 . 1 1 46 46 GLY H H 1 8.053 0.030 . 1 . . . . 46 GLY H . 10180 1 419 . 1 1 46 46 GLY CA C 13 46.224 0.300 . 1 . . . . 46 GLY CA . 10180 1 420 . 1 1 46 46 GLY C C 13 178.961 0.300 . 1 . . . . 46 GLY C . 10180 1 stop_ save_