################################### # 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 10168 _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 10168 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10168 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 CA C 13 45.478 0.300 . 1 . . . . 7 GLY CA . 10168 1 2 . 1 1 7 7 GLY HA2 H 1 4.042 0.030 . 1 . . . . 7 GLY HA2 . 10168 1 3 . 1 1 7 7 GLY HA3 H 1 4.042 0.030 . 1 . . . . 7 GLY HA3 . 10168 1 4 . 1 1 7 7 GLY C C 13 174.517 0.300 . 1 . . . . 7 GLY C . 10168 1 5 . 1 1 8 8 THR N N 15 112.852 0.300 . 1 . . . . 8 THR N . 10168 1 6 . 1 1 8 8 THR H H 1 8.150 0.030 . 1 . . . . 8 THR H . 10168 1 7 . 1 1 8 8 THR CA C 13 62.463 0.300 . 1 . . . . 8 THR CA . 10168 1 8 . 1 1 8 8 THR HA H 1 4.364 0.030 . 1 . . . . 8 THR HA . 10168 1 9 . 1 1 8 8 THR CB C 13 69.776 0.300 . 1 . . . . 8 THR CB . 10168 1 10 . 1 1 8 8 THR HB H 1 4.318 0.030 . 1 . . . . 8 THR HB . 10168 1 11 . 1 1 8 8 THR CG2 C 13 21.592 0.300 . 1 . . . . 8 THR CG2 . 10168 1 12 . 1 1 8 8 THR HG21 H 1 1.236 0.030 . 1 . . . . 8 THR HG2 . 10168 1 13 . 1 1 8 8 THR HG22 H 1 1.236 0.030 . 1 . . . . 8 THR HG2 . 10168 1 14 . 1 1 8 8 THR HG23 H 1 1.236 0.030 . 1 . . . . 8 THR HG2 . 10168 1 15 . 1 1 8 8 THR C C 13 175.241 0.300 . 1 . . . . 8 THR C . 10168 1 16 . 1 1 9 9 GLY N N 15 111.036 0.300 . 1 . . . . 9 GLY N . 10168 1 17 . 1 1 9 9 GLY H H 1 8.423 0.030 . 1 . . . . 9 GLY H . 10168 1 18 . 1 1 9 9 GLY CA C 13 45.273 0.300 . 1 . . . . 9 GLY CA . 10168 1 19 . 1 1 9 9 GLY HA2 H 1 3.918 0.030 . 2 . . . . 9 GLY HA2 . 10168 1 20 . 1 1 9 9 GLY HA3 H 1 3.965 0.030 . 2 . . . . 9 GLY HA3 . 10168 1 21 . 1 1 9 9 GLY C C 13 174.013 0.300 . 1 . . . . 9 GLY C . 10168 1 22 . 1 1 10 10 GLU N N 15 120.348 0.300 . 1 . . . . 10 GLU N . 10168 1 23 . 1 1 10 10 GLU H H 1 8.209 0.030 . 1 . . . . 10 GLU H . 10168 1 24 . 1 1 10 10 GLU CA C 13 56.820 0.300 . 1 . . . . 10 GLU CA . 10168 1 25 . 1 1 10 10 GLU HA H 1 4.193 0.030 . 1 . . . . 10 GLU HA . 10168 1 26 . 1 1 10 10 GLU CB C 13 30.457 0.300 . 1 . . . . 10 GLU CB . 10168 1 27 . 1 1 10 10 GLU HB2 H 1 1.892 0.030 . 2 . . . . 10 GLU HB2 . 10168 1 28 . 1 1 10 10 GLU HB3 H 1 1.990 0.030 . 2 . . . . 10 GLU HB3 . 10168 1 29 . 1 1 10 10 GLU CG C 13 36.295 0.300 . 1 . . . . 10 GLU CG . 10168 1 30 . 1 1 10 10 GLU HG2 H 1 2.241 0.030 . 1 . . . . 10 GLU HG2 . 10168 1 31 . 1 1 10 10 GLU HG3 H 1 2.241 0.030 . 1 . . . . 10 GLU HG3 . 10168 1 32 . 1 1 10 10 GLU C C 13 176.284 0.300 . 1 . . . . 10 GLU C . 10168 1 33 . 1 1 11 11 LYS N N 15 121.889 0.300 . 1 . . . . 11 LYS N . 10168 1 34 . 1 1 11 11 LYS H H 1 8.297 0.030 . 1 . . . . 11 LYS H . 10168 1 35 . 1 1 11 11 LYS CA C 13 53.828 0.300 . 1 . . . . 11 LYS CA . 10168 1 36 . 1 1 11 11 LYS HA H 1 4.504 0.030 . 1 . . . . 11 LYS HA . 10168 1 37 . 1 1 11 11 LYS CB C 13 32.938 0.300 . 1 . . . . 11 LYS CB . 10168 1 38 . 1 1 11 11 LYS HB2 H 1 1.584 0.030 . 2 . . . . 11 LYS HB2 . 10168 1 39 . 1 1 11 11 LYS HB3 H 1 1.504 0.030 . 2 . . . . 11 LYS HB3 . 10168 1 40 . 1 1 11 11 LYS CG C 13 24.693 0.300 . 1 . . . . 11 LYS CG . 10168 1 41 . 1 1 11 11 LYS HG2 H 1 1.318 0.030 . 2 . . . . 11 LYS HG2 . 10168 1 42 . 1 1 11 11 LYS HG3 H 1 1.226 0.030 . 2 . . . . 11 LYS HG3 . 10168 1 43 . 1 1 11 11 LYS CD C 13 29.483 0.300 . 1 . . . . 11 LYS CD . 10168 1 44 . 1 1 11 11 LYS HD2 H 1 1.533 0.030 . 1 . . . . 11 LYS HD2 . 10168 1 45 . 1 1 11 11 LYS HD3 H 1 1.533 0.030 . 1 . . . . 11 LYS HD3 . 10168 1 46 . 1 1 11 11 LYS CE C 13 42.242 0.300 . 1 . . . . 11 LYS CE . 10168 1 47 . 1 1 11 11 LYS HE2 H 1 2.915 0.030 . 2 . . . . 11 LYS HE2 . 10168 1 48 . 1 1 12 12 PRO CA C 13 63.404 0.300 . 1 . . . . 12 PRO CA . 10168 1 49 . 1 1 12 12 PRO HA H 1 4.258 0.030 . 1 . . . . 12 PRO HA . 10168 1 50 . 1 1 12 12 PRO CB C 13 32.224 0.300 . 1 . . . . 12 PRO CB . 10168 1 51 . 1 1 12 12 PRO HB2 H 1 2.019 0.030 . 2 . . . . 12 PRO HB2 . 10168 1 52 . 1 1 12 12 PRO HB3 H 1 1.270 0.030 . 2 . . . . 12 PRO HB3 . 10168 1 53 . 1 1 12 12 PRO CG C 13 26.805 0.300 . 1 . . . . 12 PRO CG . 10168 1 54 . 1 1 12 12 PRO HG2 H 1 1.798 0.030 . 2 . . . . 12 PRO HG2 . 10168 1 55 . 1 1 12 12 PRO HG3 H 1 1.628 0.030 . 2 . . . . 12 PRO HG3 . 10168 1 56 . 1 1 12 12 PRO CD C 13 50.325 0.300 . 1 . . . . 12 PRO CD . 10168 1 57 . 1 1 12 12 PRO HD2 H 1 3.577 0.030 . 2 . . . . 12 PRO HD2 . 10168 1 58 . 1 1 12 12 PRO HD3 H 1 3.628 0.030 . 2 . . . . 12 PRO HD3 . 10168 1 59 . 1 1 12 12 PRO C C 13 176.340 0.300 . 1 . . . . 12 PRO C . 10168 1 60 . 1 1 13 13 TYR N N 15 118.367 0.300 . 1 . . . . 13 TYR N . 10168 1 61 . 1 1 13 13 TYR H H 1 7.933 0.030 . 1 . . . . 13 TYR H . 10168 1 62 . 1 1 13 13 TYR CA C 13 57.250 0.300 . 1 . . . . 13 TYR CA . 10168 1 63 . 1 1 13 13 TYR HA H 1 4.664 0.030 . 1 . . . . 13 TYR HA . 10168 1 64 . 1 1 13 13 TYR CB C 13 38.486 0.300 . 1 . . . . 13 TYR CB . 10168 1 65 . 1 1 13 13 TYR HB2 H 1 2.807 0.030 . 2 . . . . 13 TYR HB2 . 10168 1 66 . 1 1 13 13 TYR HB3 H 1 3.011 0.030 . 2 . . . . 13 TYR HB3 . 10168 1 67 . 1 1 13 13 TYR CD1 C 13 133.153 0.300 . 1 . . . . 13 TYR CD1 . 10168 1 68 . 1 1 13 13 TYR HD1 H 1 6.984 0.030 . 1 . . . . 13 TYR HD1 . 10168 1 69 . 1 1 13 13 TYR CD2 C 13 133.153 0.300 . 1 . . . . 13 TYR CD2 . 10168 1 70 . 1 1 13 13 TYR HD2 H 1 6.984 0.030 . 1 . . . . 13 TYR HD2 . 10168 1 71 . 1 1 13 13 TYR CE1 C 13 118.361 0.300 . 1 . . . . 13 TYR CE1 . 10168 1 72 . 1 1 13 13 TYR HE1 H 1 6.852 0.030 . 1 . . . . 13 TYR HE1 . 10168 1 73 . 1 1 13 13 TYR CE2 C 13 118.361 0.300 . 1 . . . . 13 TYR CE2 . 10168 1 74 . 1 1 13 13 TYR HE2 H 1 6.852 0.030 . 1 . . . . 13 TYR HE2 . 10168 1 75 . 1 1 13 13 TYR C C 13 174.622 0.300 . 1 . . . . 13 TYR C . 10168 1 76 . 1 1 14 14 GLU N N 15 124.142 0.300 . 1 . . . . 14 GLU N . 10168 1 77 . 1 1 14 14 GLU H H 1 8.524 0.030 . 1 . . . . 14 GLU H . 10168 1 78 . 1 1 14 14 GLU CA C 13 55.138 0.300 . 1 . . . . 14 GLU CA . 10168 1 79 . 1 1 14 14 GLU HA H 1 4.883 0.030 . 1 . . . . 14 GLU HA . 10168 1 80 . 1 1 14 14 GLU CB C 13 32.979 0.300 . 1 . . . . 14 GLU CB . 10168 1 81 . 1 1 14 14 GLU HB2 H 1 1.856 0.030 . 1 . . . . 14 GLU HB2 . 10168 1 82 . 1 1 14 14 GLU HB3 H 1 1.856 0.030 . 1 . . . . 14 GLU HB3 . 10168 1 83 . 1 1 14 14 GLU CG C 13 36.526 0.300 . 1 . . . . 14 GLU CG . 10168 1 84 . 1 1 14 14 GLU HG2 H 1 1.965 0.030 . 2 . . . . 14 GLU HG2 . 10168 1 85 . 1 1 14 14 GLU HG3 H 1 2.027 0.030 . 2 . . . . 14 GLU HG3 . 10168 1 86 . 1 1 14 14 GLU C C 13 175.112 0.300 . 1 . . . . 14 GLU C . 10168 1 87 . 1 1 15 15 CYS N N 15 126.468 0.300 . 1 . . . . 15 CYS N . 10168 1 88 . 1 1 15 15 CYS H H 1 9.176 0.030 . 1 . . . . 15 CYS H . 10168 1 89 . 1 1 15 15 CYS CA C 13 59.621 0.300 . 1 . . . . 15 CYS CA . 10168 1 90 . 1 1 15 15 CYS HA H 1 4.549 0.030 . 1 . . . . 15 CYS HA . 10168 1 91 . 1 1 15 15 CYS CB C 13 29.673 0.300 . 1 . . . . 15 CYS CB . 10168 1 92 . 1 1 15 15 CYS HB2 H 1 2.882 0.030 . 2 . . . . 15 CYS HB2 . 10168 1 93 . 1 1 15 15 CYS HB3 H 1 3.425 0.030 . 2 . . . . 15 CYS HB3 . 10168 1 94 . 1 1 15 15 CYS C C 13 177.028 0.300 . 1 . . . . 15 CYS C . 10168 1 95 . 1 1 16 16 LYS N N 15 130.332 0.300 . 1 . . . . 16 LYS N . 10168 1 96 . 1 1 16 16 LYS H H 1 9.220 0.030 . 1 . . . . 16 LYS H . 10168 1 97 . 1 1 16 16 LYS CA C 13 57.744 0.300 . 1 . . . . 16 LYS CA . 10168 1 98 . 1 1 16 16 LYS HA H 1 4.284 0.030 . 1 . . . . 16 LYS HA . 10168 1 99 . 1 1 16 16 LYS CB C 13 32.162 0.300 . 1 . . . . 16 LYS CB . 10168 1 100 . 1 1 16 16 LYS HB2 H 1 1.970 0.030 . 2 . . . . 16 LYS HB2 . 10168 1 101 . 1 1 16 16 LYS HB3 H 1 1.928 0.030 . 2 . . . . 16 LYS HB3 . 10168 1 102 . 1 1 16 16 LYS CG C 13 24.984 0.300 . 1 . . . . 16 LYS CG . 10168 1 103 . 1 1 16 16 LYS HG2 H 1 1.596 0.030 . 1 . . . . 16 LYS HG2 . 10168 1 104 . 1 1 16 16 LYS HG3 H 1 1.596 0.030 . 1 . . . . 16 LYS HG3 . 10168 1 105 . 1 1 16 16 LYS CD C 13 28.657 0.300 . 1 . . . . 16 LYS CD . 10168 1 106 . 1 1 16 16 LYS HD2 H 1 1.712 0.030 . 1 . . . . 16 LYS HD2 . 10168 1 107 . 1 1 16 16 LYS HD3 H 1 1.712 0.030 . 1 . . . . 16 LYS HD3 . 10168 1 108 . 1 1 16 16 LYS CE C 13 42.214 0.300 . 1 . . . . 16 LYS CE . 10168 1 109 . 1 1 16 16 LYS HE2 H 1 3.048 0.030 . 1 . . . . 16 LYS HE2 . 10168 1 110 . 1 1 16 16 LYS HE3 H 1 3.048 0.030 . 1 . . . . 16 LYS HE3 . 10168 1 111 . 1 1 16 16 LYS C C 13 177.052 0.300 . 1 . . . . 16 LYS C . 10168 1 112 . 1 1 17 17 VAL N N 15 121.440 0.300 . 1 . . . . 17 VAL N . 10168 1 113 . 1 1 17 17 VAL H H 1 8.817 0.030 . 1 . . . . 17 VAL H . 10168 1 114 . 1 1 17 17 VAL CA C 13 65.126 0.300 . 1 . . . . 17 VAL CA . 10168 1 115 . 1 1 17 17 VAL HA H 1 3.787 0.030 . 1 . . . . 17 VAL HA . 10168 1 116 . 1 1 17 17 VAL CB C 13 32.790 0.300 . 1 . . . . 17 VAL CB . 10168 1 117 . 1 1 17 17 VAL HB H 1 1.353 0.030 . 1 . . . . 17 VAL HB . 10168 1 118 . 1 1 17 17 VAL CG1 C 13 20.271 0.300 . 2 . . . . 17 VAL CG1 . 10168 1 119 . 1 1 17 17 VAL HG11 H 1 0.340 0.030 . 1 . . . . 17 VAL HG1 . 10168 1 120 . 1 1 17 17 VAL HG12 H 1 0.340 0.030 . 1 . . . . 17 VAL HG1 . 10168 1 121 . 1 1 17 17 VAL HG13 H 1 0.340 0.030 . 1 . . . . 17 VAL HG1 . 10168 1 122 . 1 1 17 17 VAL CG2 C 13 21.398 0.300 . 2 . . . . 17 VAL CG2 . 10168 1 123 . 1 1 17 17 VAL HG21 H 1 0.792 0.030 . 1 . . . . 17 VAL HG2 . 10168 1 124 . 1 1 17 17 VAL HG22 H 1 0.792 0.030 . 1 . . . . 17 VAL HG2 . 10168 1 125 . 1 1 17 17 VAL HG23 H 1 0.792 0.030 . 1 . . . . 17 VAL HG2 . 10168 1 126 . 1 1 17 17 VAL C C 13 177.095 0.300 . 1 . . . . 17 VAL C . 10168 1 127 . 1 1 18 18 CYS N N 15 116.697 0.300 . 1 . . . . 18 CYS N . 10168 1 128 . 1 1 18 18 CYS H H 1 8.024 0.030 . 1 . . . . 18 CYS H . 10168 1 129 . 1 1 18 18 CYS CA C 13 58.412 0.300 . 1 . . . . 18 CYS CA . 10168 1 130 . 1 1 18 18 CYS HA H 1 5.148 0.030 . 1 . . . . 18 CYS HA . 10168 1 131 . 1 1 18 18 CYS CB C 13 32.282 0.300 . 1 . . . . 18 CYS CB . 10168 1 132 . 1 1 18 18 CYS HB2 H 1 3.449 0.030 . 2 . . . . 18 CYS HB2 . 10168 1 133 . 1 1 18 18 CYS HB3 H 1 2.804 0.030 . 2 . . . . 18 CYS HB3 . 10168 1 134 . 1 1 18 18 CYS C C 13 175.649 0.300 . 1 . . . . 18 CYS C . 10168 1 135 . 1 1 19 19 SER N N 15 115.473 0.300 . 1 . . . . 19 SER N . 10168 1 136 . 1 1 19 19 SER H H 1 8.025 0.030 . 1 . . . . 19 SER H . 10168 1 137 . 1 1 19 19 SER CA C 13 61.107 0.300 . 1 . . . . 19 SER CA . 10168 1 138 . 1 1 19 19 SER HA H 1 4.344 0.030 . 1 . . . . 19 SER HA . 10168 1 139 . 1 1 19 19 SER CB C 13 62.187 0.300 . 1 . . . . 19 SER CB . 10168 1 140 . 1 1 19 19 SER HB2 H 1 4.195 0.030 . 2 . . . . 19 SER HB2 . 10168 1 141 . 1 1 19 19 SER HB3 H 1 4.050 0.030 . 2 . . . . 19 SER HB3 . 10168 1 142 . 1 1 19 19 SER C C 13 173.220 0.300 . 1 . . . . 19 SER C . 10168 1 143 . 1 1 20 20 LYS N N 15 123.593 0.300 . 1 . . . . 20 LYS N . 10168 1 144 . 1 1 20 20 LYS H H 1 8.026 0.030 . 1 . . . . 20 LYS H . 10168 1 145 . 1 1 20 20 LYS CA C 13 58.115 0.300 . 1 . . . . 20 LYS CA . 10168 1 146 . 1 1 20 20 LYS HA H 1 4.007 0.030 . 1 . . . . 20 LYS HA . 10168 1 147 . 1 1 20 20 LYS CB C 13 33.813 0.300 . 1 . . . . 20 LYS CB . 10168 1 148 . 1 1 20 20 LYS HB2 H 1 1.442 0.030 . 2 . . . . 20 LYS HB2 . 10168 1 149 . 1 1 20 20 LYS HB3 H 1 1.194 0.030 . 2 . . . . 20 LYS HB3 . 10168 1 150 . 1 1 20 20 LYS CG C 13 26.158 0.300 . 1 . . . . 20 LYS CG . 10168 1 151 . 1 1 20 20 LYS HG2 H 1 1.075 0.030 . 2 . . . . 20 LYS HG2 . 10168 1 152 . 1 1 20 20 LYS HG3 H 1 1.384 0.030 . 2 . . . . 20 LYS HG3 . 10168 1 153 . 1 1 20 20 LYS CD C 13 29.256 0.300 . 1 . . . . 20 LYS CD . 10168 1 154 . 1 1 20 20 LYS HD2 H 1 1.490 0.030 . 2 . . . . 20 LYS HD2 . 10168 1 155 . 1 1 20 20 LYS HD3 H 1 1.436 0.030 . 2 . . . . 20 LYS HD3 . 10168 1 156 . 1 1 20 20 LYS CE C 13 42.281 0.300 . 1 . . . . 20 LYS CE . 10168 1 157 . 1 1 20 20 LYS HE2 H 1 2.910 0.030 . 1 . . . . 20 LYS HE2 . 10168 1 158 . 1 1 20 20 LYS HE3 H 1 2.910 0.030 . 1 . . . . 20 LYS HE3 . 10168 1 159 . 1 1 20 20 LYS C C 13 173.846 0.300 . 1 . . . . 20 LYS C . 10168 1 160 . 1 1 21 21 ALA N N 15 124.213 0.300 . 1 . . . . 21 ALA N . 10168 1 161 . 1 1 21 21 ALA H H 1 7.837 0.030 . 1 . . . . 21 ALA H . 10168 1 162 . 1 1 21 21 ALA CA C 13 50.509 0.300 . 1 . . . . 21 ALA CA . 10168 1 163 . 1 1 21 21 ALA HA H 1 5.125 0.030 . 1 . . . . 21 ALA HA . 10168 1 164 . 1 1 21 21 ALA CB C 13 22.361 0.300 . 1 . . . . 21 ALA CB . 10168 1 165 . 1 1 21 21 ALA HB1 H 1 1.232 0.030 . 1 . . . . 21 ALA HB . 10168 1 166 . 1 1 21 21 ALA HB2 H 1 1.232 0.030 . 1 . . . . 21 ALA HB . 10168 1 167 . 1 1 21 21 ALA HB3 H 1 1.232 0.030 . 1 . . . . 21 ALA HB . 10168 1 168 . 1 1 21 21 ALA C C 13 176.165 0.300 . 1 . . . . 21 ALA C . 10168 1 169 . 1 1 22 22 PHE N N 15 116.773 0.300 . 1 . . . . 22 PHE N . 10168 1 170 . 1 1 22 22 PHE H H 1 8.660 0.030 . 1 . . . . 22 PHE H . 10168 1 171 . 1 1 22 22 PHE CA C 13 57.228 0.300 . 1 . . . . 22 PHE CA . 10168 1 172 . 1 1 22 22 PHE HA H 1 4.872 0.030 . 1 . . . . 22 PHE HA . 10168 1 173 . 1 1 22 22 PHE CB C 13 43.970 0.300 . 1 . . . . 22 PHE CB . 10168 1 174 . 1 1 22 22 PHE HB2 H 1 2.749 0.030 . 2 . . . . 22 PHE HB2 . 10168 1 175 . 1 1 22 22 PHE HB3 H 1 3.570 0.030 . 2 . . . . 22 PHE HB3 . 10168 1 176 . 1 1 22 22 PHE CD1 C 13 132.502 0.300 . 1 . . . . 22 PHE CD1 . 10168 1 177 . 1 1 22 22 PHE HD1 H 1 7.330 0.030 . 1 . . . . 22 PHE HD1 . 10168 1 178 . 1 1 22 22 PHE CD2 C 13 132.502 0.300 . 1 . . . . 22 PHE CD2 . 10168 1 179 . 1 1 22 22 PHE HD2 H 1 7.330 0.030 . 1 . . . . 22 PHE HD2 . 10168 1 180 . 1 1 22 22 PHE CE1 C 13 130.702 0.300 . 1 . . . . 22 PHE CE1 . 10168 1 181 . 1 1 22 22 PHE HE1 H 1 6.870 0.030 . 1 . . . . 22 PHE HE1 . 10168 1 182 . 1 1 22 22 PHE CE2 C 13 130.702 0.300 . 1 . . . . 22 PHE CE2 . 10168 1 183 . 1 1 22 22 PHE HE2 H 1 6.870 0.030 . 1 . . . . 22 PHE HE2 . 10168 1 184 . 1 1 22 22 PHE CZ C 13 128.798 0.300 . 1 . . . . 22 PHE CZ . 10168 1 185 . 1 1 22 22 PHE HZ H 1 6.262 0.030 . 1 . . . . 22 PHE HZ . 10168 1 186 . 1 1 22 22 PHE C C 13 175.596 0.300 . 1 . . . . 22 PHE C . 10168 1 187 . 1 1 23 23 THR N N 15 112.435 0.300 . 1 . . . . 23 THR N . 10168 1 188 . 1 1 23 23 THR H H 1 9.419 0.030 . 1 . . . . 23 THR H . 10168 1 189 . 1 1 23 23 THR CA C 13 63.752 0.300 . 1 . . . . 23 THR CA . 10168 1 190 . 1 1 23 23 THR HA H 1 4.538 0.030 . 1 . . . . 23 THR HA . 10168 1 191 . 1 1 23 23 THR CB C 13 69.791 0.300 . 1 . . . . 23 THR CB . 10168 1 192 . 1 1 23 23 THR HB H 1 4.487 0.030 . 1 . . . . 23 THR HB . 10168 1 193 . 1 1 23 23 THR CG2 C 13 22.615 0.300 . 1 . . . . 23 THR CG2 . 10168 1 194 . 1 1 23 23 THR HG21 H 1 1.409 0.030 . 1 . . . . 23 THR HG2 . 10168 1 195 . 1 1 23 23 THR HG22 H 1 1.409 0.030 . 1 . . . . 23 THR HG2 . 10168 1 196 . 1 1 23 23 THR HG23 H 1 1.409 0.030 . 1 . . . . 23 THR HG2 . 10168 1 197 . 1 1 23 23 THR C C 13 174.879 0.300 . 1 . . . . 23 THR C . 10168 1 198 . 1 1 24 24 GLN N N 15 116.006 0.300 . 1 . . . . 24 GLN N . 10168 1 199 . 1 1 24 24 GLN H H 1 7.257 0.030 . 1 . . . . 24 GLN H . 10168 1 200 . 1 1 24 24 GLN CA C 13 53.833 0.300 . 1 . . . . 24 GLN CA . 10168 1 201 . 1 1 24 24 GLN HA H 1 4.721 0.030 . 1 . . . . 24 GLN HA . 10168 1 202 . 1 1 24 24 GLN CB C 13 31.008 0.300 . 1 . . . . 24 GLN CB . 10168 1 203 . 1 1 24 24 GLN HB2 H 1 1.941 0.030 . 2 . . . . 24 GLN HB2 . 10168 1 204 . 1 1 24 24 GLN HB3 H 1 0.884 0.030 . 2 . . . . 24 GLN HB3 . 10168 1 205 . 1 1 24 24 GLN CG C 13 33.269 0.300 . 1 . . . . 24 GLN CG . 10168 1 206 . 1 1 24 24 GLN HG2 H 1 2.156 0.030 . 2 . . . . 24 GLN HG2 . 10168 1 207 . 1 1 24 24 GLN HG3 H 1 2.275 0.030 . 2 . . . . 24 GLN HG3 . 10168 1 208 . 1 1 24 24 GLN NE2 N 15 111.718 0.300 . 1 . . . . 24 GLN NE2 . 10168 1 209 . 1 1 24 24 GLN HE21 H 1 7.403 0.030 . 2 . . . . 24 GLN HE21 . 10168 1 210 . 1 1 24 24 GLN HE22 H 1 6.836 0.030 . 2 . . . . 24 GLN HE22 . 10168 1 211 . 1 1 24 24 GLN C C 13 176.152 0.300 . 1 . . . . 24 GLN C . 10168 1 212 . 1 1 25 25 LYS N N 15 127.585 0.300 . 1 . . . . 25 LYS N . 10168 1 213 . 1 1 25 25 LYS H H 1 8.608 0.030 . 1 . . . . 25 LYS H . 10168 1 214 . 1 1 25 25 LYS CA C 13 59.831 0.300 . 1 . . . . 25 LYS CA . 10168 1 215 . 1 1 25 25 LYS HA H 1 2.994 0.030 . 1 . . . . 25 LYS HA . 10168 1 216 . 1 1 25 25 LYS CB C 13 31.771 0.300 . 1 . . . . 25 LYS CB . 10168 1 217 . 1 1 25 25 LYS HB2 H 1 1.243 0.030 . 2 . . . . 25 LYS HB2 . 10168 1 218 . 1 1 25 25 LYS HB3 H 1 1.448 0.030 . 2 . . . . 25 LYS HB3 . 10168 1 219 . 1 1 25 25 LYS CG C 13 24.911 0.300 . 1 . . . . 25 LYS CG . 10168 1 220 . 1 1 25 25 LYS HG2 H 1 1.002 0.030 . 2 . . . . 25 LYS HG2 . 10168 1 221 . 1 1 25 25 LYS HG3 H 1 1.074 0.030 . 2 . . . . 25 LYS HG3 . 10168 1 222 . 1 1 25 25 LYS CD C 13 29.308 0.300 . 1 . . . . 25 LYS CD . 10168 1 223 . 1 1 25 25 LYS HD2 H 1 1.560 0.030 . 1 . . . . 25 LYS HD2 . 10168 1 224 . 1 1 25 25 LYS HD3 H 1 1.560 0.030 . 1 . . . . 25 LYS HD3 . 10168 1 225 . 1 1 25 25 LYS CE C 13 42.030 0.300 . 1 . . . . 25 LYS CE . 10168 1 226 . 1 1 25 25 LYS HE2 H 1 2.917 0.030 . 1 . . . . 25 LYS HE2 . 10168 1 227 . 1 1 25 25 LYS HE3 H 1 2.917 0.030 . 1 . . . . 25 LYS HE3 . 10168 1 228 . 1 1 25 25 LYS C C 13 178.888 0.300 . 1 . . . . 25 LYS C . 10168 1 229 . 1 1 26 26 ALA CA C 13 54.777 0.300 . 1 . . . . 26 ALA CA . 10168 1 230 . 1 1 26 26 ALA HA H 1 4.073 0.030 . 1 . . . . 26 ALA HA . 10168 1 231 . 1 1 26 26 ALA CB C 13 18.221 0.300 . 1 . . . . 26 ALA CB . 10168 1 232 . 1 1 26 26 ALA HB1 H 1 1.325 0.030 . 1 . . . . 26 ALA HB . 10168 1 233 . 1 1 26 26 ALA HB2 H 1 1.325 0.030 . 1 . . . . 26 ALA HB . 10168 1 234 . 1 1 26 26 ALA HB3 H 1 1.325 0.030 . 1 . . . . 26 ALA HB . 10168 1 235 . 1 1 26 26 ALA C C 13 180.193 0.300 . 1 . . . . 26 ALA C . 10168 1 236 . 1 1 27 27 HIS N N 15 115.655 0.300 . 1 . . . . 27 HIS N . 10168 1 237 . 1 1 27 27 HIS H H 1 6.808 0.030 . 1 . . . . 27 HIS H . 10168 1 238 . 1 1 27 27 HIS CA C 13 56.597 0.300 . 1 . . . . 27 HIS CA . 10168 1 239 . 1 1 27 27 HIS HA H 1 4.441 0.030 . 1 . . . . 27 HIS HA . 10168 1 240 . 1 1 27 27 HIS CB C 13 31.644 0.300 . 1 . . . . 27 HIS CB . 10168 1 241 . 1 1 27 27 HIS HB2 H 1 3.209 0.030 . 2 . . . . 27 HIS HB2 . 10168 1 242 . 1 1 27 27 HIS HB3 H 1 3.350 0.030 . 2 . . . . 27 HIS HB3 . 10168 1 243 . 1 1 27 27 HIS CD2 C 13 116.274 0.300 . 1 . . . . 27 HIS CD2 . 10168 1 244 . 1 1 27 27 HIS HD2 H 1 6.850 0.030 . 1 . . . . 27 HIS HD2 . 10168 1 245 . 1 1 27 27 HIS CE1 C 13 139.229 0.300 . 1 . . . . 27 HIS CE1 . 10168 1 246 . 1 1 27 27 HIS HE1 H 1 7.775 0.030 . 1 . . . . 27 HIS HE1 . 10168 1 247 . 1 1 27 27 HIS C C 13 178.584 0.300 . 1 . . . . 27 HIS C . 10168 1 248 . 1 1 28 28 LEU N N 15 121.599 0.300 . 1 . . . . 28 LEU N . 10168 1 249 . 1 1 28 28 LEU H H 1 7.008 0.030 . 1 . . . . 28 LEU H . 10168 1 250 . 1 1 28 28 LEU CA C 13 57.764 0.300 . 1 . . . . 28 LEU CA . 10168 1 251 . 1 1 28 28 LEU HA H 1 3.280 0.030 . 1 . . . . 28 LEU HA . 10168 1 252 . 1 1 28 28 LEU CB C 13 40.215 0.300 . 1 . . . . 28 LEU CB . 10168 1 253 . 1 1 28 28 LEU HB2 H 1 1.937 0.030 . 2 . . . . 28 LEU HB2 . 10168 1 254 . 1 1 28 28 LEU HB3 H 1 1.290 0.030 . 2 . . . . 28 LEU HB3 . 10168 1 255 . 1 1 28 28 LEU CG C 13 27.443 0.300 . 1 . . . . 28 LEU CG . 10168 1 256 . 1 1 28 28 LEU HG H 1 1.537 0.030 . 1 . . . . 28 LEU HG . 10168 1 257 . 1 1 28 28 LEU CD1 C 13 26.531 0.300 . 2 . . . . 28 LEU CD1 . 10168 1 258 . 1 1 28 28 LEU HD11 H 1 1.004 0.030 . 1 . . . . 28 LEU HD1 . 10168 1 259 . 1 1 28 28 LEU HD12 H 1 1.004 0.030 . 1 . . . . 28 LEU HD1 . 10168 1 260 . 1 1 28 28 LEU HD13 H 1 1.004 0.030 . 1 . . . . 28 LEU HD1 . 10168 1 261 . 1 1 28 28 LEU CD2 C 13 22.705 0.300 . 2 . . . . 28 LEU CD2 . 10168 1 262 . 1 1 28 28 LEU HD21 H 1 1.045 0.030 . 1 . . . . 28 LEU HD2 . 10168 1 263 . 1 1 28 28 LEU HD22 H 1 1.045 0.030 . 1 . . . . 28 LEU HD2 . 10168 1 264 . 1 1 28 28 LEU HD23 H 1 1.045 0.030 . 1 . . . . 28 LEU HD2 . 10168 1 265 . 1 1 28 28 LEU C C 13 177.435 0.300 . 1 . . . . 28 LEU C . 10168 1 266 . 1 1 29 29 ALA N N 15 121.543 0.300 . 1 . . . . 29 ALA N . 10168 1 267 . 1 1 29 29 ALA H H 1 8.100 0.030 . 1 . . . . 29 ALA H . 10168 1 268 . 1 1 29 29 ALA CA C 13 55.208 0.300 . 1 . . . . 29 ALA CA . 10168 1 269 . 1 1 29 29 ALA HA H 1 4.148 0.030 . 1 . . . . 29 ALA HA . 10168 1 270 . 1 1 29 29 ALA CB C 13 17.731 0.300 . 1 . . . . 29 ALA CB . 10168 1 271 . 1 1 29 29 ALA HB1 H 1 1.408 0.030 . 1 . . . . 29 ALA HB . 10168 1 272 . 1 1 29 29 ALA HB2 H 1 1.408 0.030 . 1 . . . . 29 ALA HB . 10168 1 273 . 1 1 29 29 ALA HB3 H 1 1.408 0.030 . 1 . . . . 29 ALA HB . 10168 1 274 . 1 1 29 29 ALA C C 13 180.709 0.300 . 1 . . . . 29 ALA C . 10168 1 275 . 1 1 30 30 GLN N N 15 116.397 0.300 . 1 . . . . 30 GLN N . 10168 1 276 . 1 1 30 30 GLN H H 1 7.564 0.030 . 1 . . . . 30 GLN H . 10168 1 277 . 1 1 30 30 GLN CA C 13 58.469 0.300 . 1 . . . . 30 GLN CA . 10168 1 278 . 1 1 30 30 GLN HA H 1 3.997 0.030 . 1 . . . . 30 GLN HA . 10168 1 279 . 1 1 30 30 GLN CB C 13 28.395 0.300 . 1 . . . . 30 GLN CB . 10168 1 280 . 1 1 30 30 GLN HB2 H 1 2.046 0.030 . 2 . . . . 30 GLN HB2 . 10168 1 281 . 1 1 30 30 GLN HB3 H 1 2.103 0.030 . 2 . . . . 30 GLN HB3 . 10168 1 282 . 1 1 30 30 GLN CG C 13 33.382 0.300 . 1 . . . . 30 GLN CG . 10168 1 283 . 1 1 30 30 GLN HG2 H 1 2.445 0.030 . 1 . . . . 30 GLN HG2 . 10168 1 284 . 1 1 30 30 GLN HG3 H 1 2.445 0.030 . 1 . . . . 30 GLN HG3 . 10168 1 285 . 1 1 30 30 GLN NE2 N 15 111.920 0.300 . 1 . . . . 30 GLN NE2 . 10168 1 286 . 1 1 30 30 GLN HE21 H 1 6.883 0.030 . 2 . . . . 30 GLN HE21 . 10168 1 287 . 1 1 30 30 GLN HE22 H 1 7.430 0.030 . 2 . . . . 30 GLN HE22 . 10168 1 288 . 1 1 30 30 GLN C C 13 178.538 0.300 . 1 . . . . 30 GLN C . 10168 1 289 . 1 1 31 31 HIS N N 15 119.006 0.300 . 1 . . . . 31 HIS N . 10168 1 290 . 1 1 31 31 HIS H H 1 7.685 0.030 . 1 . . . . 31 HIS H . 10168 1 291 . 1 1 31 31 HIS CA C 13 59.033 0.300 . 1 . . . . 31 HIS CA . 10168 1 292 . 1 1 31 31 HIS HA H 1 4.262 0.030 . 1 . . . . 31 HIS HA . 10168 1 293 . 1 1 31 31 HIS CB C 13 28.627 0.300 . 1 . . . . 31 HIS CB . 10168 1 294 . 1 1 31 31 HIS HB2 H 1 2.929 0.030 . 2 . . . . 31 HIS HB2 . 10168 1 295 . 1 1 31 31 HIS HB3 H 1 3.100 0.030 . 2 . . . . 31 HIS HB3 . 10168 1 296 . 1 1 31 31 HIS CD2 C 13 127.223 0.300 . 1 . . . . 31 HIS CD2 . 10168 1 297 . 1 1 31 31 HIS HD2 H 1 6.949 0.030 . 1 . . . . 31 HIS HD2 . 10168 1 298 . 1 1 31 31 HIS CE1 C 13 139.807 0.300 . 1 . . . . 31 HIS CE1 . 10168 1 299 . 1 1 31 31 HIS HE1 H 1 8.007 0.030 . 1 . . . . 31 HIS HE1 . 10168 1 300 . 1 1 31 31 HIS C C 13 177.956 0.300 . 1 . . . . 31 HIS C . 10168 1 301 . 1 1 32 32 GLN N N 15 119.870 0.300 . 1 . . . . 32 GLN N . 10168 1 302 . 1 1 32 32 GLN H H 1 8.809 0.030 . 1 . . . . 32 GLN H . 10168 1 303 . 1 1 32 32 GLN CA C 13 59.611 0.300 . 1 . . . . 32 GLN CA . 10168 1 304 . 1 1 32 32 GLN HA H 1 3.747 0.030 . 1 . . . . 32 GLN HA . 10168 1 305 . 1 1 32 32 GLN CB C 13 28.255 0.300 . 1 . . . . 32 GLN CB . 10168 1 306 . 1 1 32 32 GLN HB2 H 1 2.333 0.030 . 2 . . . . 32 GLN HB2 . 10168 1 307 . 1 1 32 32 GLN HB3 H 1 2.183 0.030 . 2 . . . . 32 GLN HB3 . 10168 1 308 . 1 1 32 32 GLN CG C 13 34.942 0.300 . 1 . . . . 32 GLN CG . 10168 1 309 . 1 1 32 32 GLN HG2 H 1 2.751 0.030 . 1 . . . . 32 GLN HG2 . 10168 1 310 . 1 1 32 32 GLN HG3 H 1 2.751 0.030 . 1 . . . . 32 GLN HG3 . 10168 1 311 . 1 1 32 32 GLN NE2 N 15 111.901 0.300 . 1 . . . . 32 GLN NE2 . 10168 1 312 . 1 1 32 32 GLN HE21 H 1 6.994 0.030 . 2 . . . . 32 GLN HE21 . 10168 1 313 . 1 1 32 32 GLN HE22 H 1 7.524 0.030 . 2 . . . . 32 GLN HE22 . 10168 1 314 . 1 1 32 32 GLN C C 13 177.728 0.300 . 1 . . . . 32 GLN C . 10168 1 315 . 1 1 33 33 LYS N N 15 116.864 0.300 . 1 . . . . 33 LYS N . 10168 1 316 . 1 1 33 33 LYS H H 1 7.108 0.030 . 1 . . . . 33 LYS H . 10168 1 317 . 1 1 33 33 LYS CA C 13 58.613 0.300 . 1 . . . . 33 LYS CA . 10168 1 318 . 1 1 33 33 LYS HA H 1 4.149 0.030 . 1 . . . . 33 LYS HA . 10168 1 319 . 1 1 33 33 LYS CB C 13 32.203 0.300 . 1 . . . . 33 LYS CB . 10168 1 320 . 1 1 33 33 LYS HB2 H 1 1.843 0.030 . 2 . . . . 33 LYS HB2 . 10168 1 321 . 1 1 33 33 LYS HB3 H 1 1.907 0.030 . 2 . . . . 33 LYS HB3 . 10168 1 322 . 1 1 33 33 LYS CG C 13 25.200 0.300 . 1 . . . . 33 LYS CG . 10168 1 323 . 1 1 33 33 LYS HG2 H 1 1.482 0.030 . 2 . . . . 33 LYS HG2 . 10168 1 324 . 1 1 33 33 LYS HG3 H 1 1.627 0.030 . 2 . . . . 33 LYS HG3 . 10168 1 325 . 1 1 33 33 LYS CD C 13 29.175 0.300 . 1 . . . . 33 LYS CD . 10168 1 326 . 1 1 33 33 LYS HD2 H 1 1.679 0.030 . 1 . . . . 33 LYS HD2 . 10168 1 327 . 1 1 33 33 LYS HD3 H 1 1.679 0.030 . 1 . . . . 33 LYS HD3 . 10168 1 328 . 1 1 33 33 LYS CE C 13 42.184 0.300 . 1 . . . . 33 LYS CE . 10168 1 329 . 1 1 33 33 LYS HE2 H 1 2.963 0.030 . 1 . . . . 33 LYS HE2 . 10168 1 330 . 1 1 33 33 LYS HE3 H 1 2.963 0.030 . 1 . . . . 33 LYS HE3 . 10168 1 331 . 1 1 33 33 LYS C C 13 178.099 0.300 . 1 . . . . 33 LYS C . 10168 1 332 . 1 1 34 34 THR N N 15 109.562 0.300 . 1 . . . . 34 THR N . 10168 1 333 . 1 1 34 34 THR H H 1 7.736 0.030 . 1 . . . . 34 THR H . 10168 1 334 . 1 1 34 34 THR CA C 13 63.792 0.300 . 1 . . . . 34 THR CA . 10168 1 335 . 1 1 34 34 THR HA H 1 4.131 0.030 . 1 . . . . 34 THR HA . 10168 1 336 . 1 1 34 34 THR CB C 13 69.387 0.300 . 1 . . . . 34 THR CB . 10168 1 337 . 1 1 34 34 THR HB H 1 4.003 0.030 . 1 . . . . 34 THR HB . 10168 1 338 . 1 1 34 34 THR CG2 C 13 20.866 0.300 . 1 . . . . 34 THR CG2 . 10168 1 339 . 1 1 34 34 THR HG21 H 1 1.123 0.030 . 1 . . . . 34 THR HG2 . 10168 1 340 . 1 1 34 34 THR HG22 H 1 1.123 0.030 . 1 . . . . 34 THR HG2 . 10168 1 341 . 1 1 34 34 THR HG23 H 1 1.123 0.030 . 1 . . . . 34 THR HG2 . 10168 1 342 . 1 1 34 34 THR C C 13 175.335 0.300 . 1 . . . . 34 THR C . 10168 1 343 . 1 1 35 35 HIS N N 15 118.240 0.300 . 1 . . . . 35 HIS N . 10168 1 344 . 1 1 35 35 HIS H H 1 7.156 0.030 . 1 . . . . 35 HIS H . 10168 1 345 . 1 1 35 35 HIS CA C 13 55.103 0.300 . 1 . . . . 35 HIS CA . 10168 1 346 . 1 1 35 35 HIS HA H 1 4.972 0.030 . 1 . . . . 35 HIS HA . 10168 1 347 . 1 1 35 35 HIS CB C 13 28.657 0.300 . 1 . . . . 35 HIS CB . 10168 1 348 . 1 1 35 35 HIS HB2 H 1 3.237 0.030 . 2 . . . . 35 HIS HB2 . 10168 1 349 . 1 1 35 35 HIS HB3 H 1 3.347 0.030 . 2 . . . . 35 HIS HB3 . 10168 1 350 . 1 1 35 35 HIS CD2 C 13 127.013 0.300 . 1 . . . . 35 HIS CD2 . 10168 1 351 . 1 1 35 35 HIS HD2 H 1 6.660 0.030 . 1 . . . . 35 HIS HD2 . 10168 1 352 . 1 1 35 35 HIS CE1 C 13 140.178 0.300 . 1 . . . . 35 HIS CE1 . 10168 1 353 . 1 1 35 35 HIS HE1 H 1 8.051 0.030 . 1 . . . . 35 HIS HE1 . 10168 1 354 . 1 1 35 35 HIS C C 13 175.393 0.300 . 1 . . . . 35 HIS C . 10168 1 355 . 1 1 36 36 THR N N 15 113.040 0.300 . 1 . . . . 36 THR N . 10168 1 356 . 1 1 36 36 THR H H 1 7.839 0.030 . 1 . . . . 36 THR H . 10168 1 357 . 1 1 36 36 THR CA C 13 61.871 0.300 . 1 . . . . 36 THR CA . 10168 1 358 . 1 1 36 36 THR HA H 1 4.369 0.030 . 1 . . . . 36 THR HA . 10168 1 359 . 1 1 36 36 THR CB C 13 69.836 0.300 . 1 . . . . 36 THR CB . 10168 1 360 . 1 1 36 36 THR HB H 1 4.293 0.030 . 1 . . . . 36 THR HB . 10168 1 361 . 1 1 36 36 THR CG2 C 13 21.530 0.300 . 1 . . . . 36 THR CG2 . 10168 1 362 . 1 1 36 36 THR HG21 H 1 1.194 0.030 . 1 . . . . 36 THR HG2 . 10168 1 363 . 1 1 36 36 THR HG22 H 1 1.194 0.030 . 1 . . . . 36 THR HG2 . 10168 1 364 . 1 1 36 36 THR HG23 H 1 1.194 0.030 . 1 . . . . 36 THR HG2 . 10168 1 365 . 1 1 36 36 THR C C 13 175.280 0.300 . 1 . . . . 36 THR C . 10168 1 366 . 1 1 37 37 GLY CA C 13 45.249 0.300 . 1 . . . . 37 GLY CA . 10168 1 367 . 1 1 37 37 GLY HA2 H 1 4.008 0.030 . 1 . . . . 37 GLY HA2 . 10168 1 368 . 1 1 37 37 GLY HA3 H 1 4.008 0.030 . 1 . . . . 37 GLY HA3 . 10168 1 369 . 1 1 37 37 GLY C C 13 174.005 0.300 . 1 . . . . 37 GLY C . 10168 1 370 . 1 1 38 38 GLU N N 15 120.596 0.300 . 1 . . . . 38 GLU N . 10168 1 371 . 1 1 38 38 GLU H H 1 8.130 0.030 . 1 . . . . 38 GLU H . 10168 1 372 . 1 1 38 38 GLU CA C 13 56.422 0.300 . 1 . . . . 38 GLU CA . 10168 1 373 . 1 1 38 38 GLU HA H 1 4.265 0.030 . 1 . . . . 38 GLU HA . 10168 1 374 . 1 1 38 38 GLU CB C 13 30.578 0.300 . 1 . . . . 38 GLU CB . 10168 1 375 . 1 1 38 38 GLU HB2 H 1 2.010 0.030 . 2 . . . . 38 GLU HB2 . 10168 1 376 . 1 1 38 38 GLU HB3 H 1 1.921 0.030 . 2 . . . . 38 GLU HB3 . 10168 1 377 . 1 1 38 38 GLU CG C 13 36.264 0.300 . 1 . . . . 38 GLU CG . 10168 1 378 . 1 1 38 38 GLU HG2 H 1 2.273 0.030 . 2 . . . . 38 GLU HG2 . 10168 1 379 . 1 1 38 38 GLU HG3 H 1 2.226 0.030 . 2 . . . . 38 GLU HG3 . 10168 1 380 . 1 1 38 38 GLU C C 13 176.250 0.300 . 1 . . . . 38 GLU C . 10168 1 381 . 1 1 39 39 LYS N N 15 123.746 0.300 . 1 . . . . 39 LYS N . 10168 1 382 . 1 1 39 39 LYS H H 1 8.424 0.030 . 1 . . . . 39 LYS H . 10168 1 383 . 1 1 39 39 LYS CA C 13 54.157 0.300 . 1 . . . . 39 LYS CA . 10168 1 384 . 1 1 39 39 LYS HA H 1 4.612 0.030 . 1 . . . . 39 LYS HA . 10168 1 385 . 1 1 39 39 LYS CB C 13 32.575 0.300 . 1 . . . . 39 LYS CB . 10168 1 386 . 1 1 39 39 LYS HB2 H 1 1.728 0.030 . 2 . . . . 39 LYS HB2 . 10168 1 387 . 1 1 39 39 LYS HB3 H 1 1.819 0.030 . 2 . . . . 39 LYS HB3 . 10168 1 388 . 1 1 39 39 LYS CG C 13 24.502 0.300 . 1 . . . . 39 LYS CG . 10168 1 389 . 1 1 39 39 LYS HG2 H 1 1.476 0.030 . 1 . . . . 39 LYS HG2 . 10168 1 390 . 1 1 39 39 LYS HG3 H 1 1.476 0.030 . 1 . . . . 39 LYS HG3 . 10168 1 391 . 1 1 39 39 LYS CD C 13 29.299 0.300 . 1 . . . . 39 LYS CD . 10168 1 392 . 1 1 39 39 LYS CE C 13 41.274 0.300 . 1 . . . . 39 LYS CE . 10168 1 393 . 1 1 39 39 LYS HE2 H 1 2.618 0.030 . 2 . . . . 39 LYS HE2 . 10168 1 394 . 1 1 39 39 LYS HE3 H 1 2.691 0.030 . 2 . . . . 39 LYS HE3 . 10168 1 395 . 1 1 39 39 LYS C C 13 174.466 0.300 . 1 . . . . 39 LYS C . 10168 1 396 . 1 1 40 40 PRO CA C 13 63.253 0.300 . 1 . . . . 40 PRO CA . 10168 1 397 . 1 1 40 40 PRO HA H 1 4.480 0.030 . 1 . . . . 40 PRO HA . 10168 1 398 . 1 1 40 40 PRO CB C 13 32.250 0.300 . 1 . . . . 40 PRO CB . 10168 1 399 . 1 1 40 40 PRO HB2 H 1 1.942 0.030 . 2 . . . . 40 PRO HB2 . 10168 1 400 . 1 1 40 40 PRO HB3 H 1 2.315 0.030 . 2 . . . . 40 PRO HB3 . 10168 1 401 . 1 1 40 40 PRO CG C 13 27.298 0.300 . 1 . . . . 40 PRO CG . 10168 1 402 . 1 1 40 40 PRO HG2 H 1 2.016 0.030 . 2 . . . . 40 PRO HG2 . 10168 1 403 . 1 1 40 40 PRO CD C 13 50.706 0.300 . 1 . . . . 40 PRO CD . 10168 1 404 . 1 1 40 40 PRO HD2 H 1 3.648 0.030 . 2 . . . . 40 PRO HD2 . 10168 1 405 . 1 1 40 40 PRO HD3 H 1 3.829 0.030 . 2 . . . . 40 PRO HD3 . 10168 1 406 . 1 1 42 42 GLY N N 15 110.630 0.300 . 1 . . . . 42 GLY N . 10168 1 407 . 1 1 42 42 GLY H H 1 8.218 0.030 . 1 . . . . 42 GLY H . 10168 1 408 . 1 1 42 42 GLY CA C 13 44.674 0.300 . 1 . . . . 42 GLY CA . 10168 1 409 . 1 1 42 42 GLY HA2 H 1 4.116 0.030 . 2 . . . . 42 GLY HA2 . 10168 1 410 . 1 1 42 42 GLY HA3 H 1 4.165 0.030 . 2 . . . . 42 GLY HA3 . 10168 1 411 . 1 1 43 43 PRO CA C 13 63.242 0.300 . 1 . . . . 43 PRO CA . 10168 1 412 . 1 1 43 43 PRO HA H 1 4.487 0.030 . 1 . . . . 43 PRO HA . 10168 1 413 . 1 1 43 43 PRO CB C 13 32.343 0.300 . 1 . . . . 43 PRO CB . 10168 1 414 . 1 1 43 43 PRO CG C 13 27.234 0.300 . 1 . . . . 43 PRO CG . 10168 1 415 . 1 1 43 43 PRO HG2 H 1 2.022 0.030 . 1 . . . . 43 PRO HG2 . 10168 1 416 . 1 1 43 43 PRO HG3 H 1 2.022 0.030 . 1 . . . . 43 PRO HG3 . 10168 1 417 . 1 1 43 43 PRO CD C 13 49.816 0.300 . 1 . . . . 43 PRO CD . 10168 1 418 . 1 1 43 43 PRO HD2 H 1 3.630 0.030 . 1 . . . . 43 PRO HD2 . 10168 1 419 . 1 1 43 43 PRO HD3 H 1 3.630 0.030 . 1 . . . . 43 PRO HD3 . 10168 1 420 . 1 1 44 44 SER N N 15 116.476 0.300 . 1 . . . . 44 SER N . 10168 1 421 . 1 1 44 44 SER H H 1 8.466 0.030 . 1 . . . . 44 SER H . 10168 1 422 . 1 1 44 44 SER CA C 13 58.347 0.300 . 1 . . . . 44 SER CA . 10168 1 423 . 1 1 44 44 SER HA H 1 4.479 0.030 . 1 . . . . 44 SER HA . 10168 1 424 . 1 1 44 44 SER CB C 13 64.148 0.300 . 1 . . . . 44 SER CB . 10168 1 425 . 1 1 44 44 SER HB2 H 1 3.919 0.030 . 2 . . . . 44 SER HB2 . 10168 1 426 . 1 1 45 45 SER CA C 13 58.438 0.300 . 1 . . . . 45 SER CA . 10168 1 427 . 1 1 45 45 SER HA H 1 4.493 0.030 . 1 . . . . 45 SER HA . 10168 1 428 . 1 1 45 45 SER CB C 13 63.960 0.300 . 1 . . . . 45 SER CB . 10168 1 429 . 1 1 45 45 SER HB2 H 1 3.874 0.030 . 2 . . . . 45 SER HB2 . 10168 1 430 . 1 1 46 46 GLY N N 15 116.856 0.300 . 1 . . . . 46 GLY N . 10168 1 431 . 1 1 46 46 GLY H H 1 8.042 0.030 . 1 . . . . 46 GLY H . 10168 1 stop_ save_