################################### # 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 10175 _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 10175 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10175 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 45.434 0.300 . 1 . . . . 7 GLY CA . 10175 1 2 . 1 1 7 7 GLY HA2 H 1 4.025 0.030 . 1 . . . . 7 GLY HA2 . 10175 1 3 . 1 1 7 7 GLY HA3 H 1 4.025 0.030 . 1 . . . . 7 GLY HA3 . 10175 1 4 . 1 1 7 7 GLY C C 13 174.512 0.300 . 1 . . . . 7 GLY C . 10175 1 5 . 1 1 8 8 THR N N 15 112.809 0.300 . 1 . . . . 8 THR N . 10175 1 6 . 1 1 8 8 THR H H 1 8.155 0.030 . 1 . . . . 8 THR H . 10175 1 7 . 1 1 8 8 THR CA C 13 61.803 0.300 . 1 . . . . 8 THR CA . 10175 1 8 . 1 1 8 8 THR HA H 1 4.362 0.030 . 1 . . . . 8 THR HA . 10175 1 9 . 1 1 8 8 THR CB C 13 69.812 0.300 . 1 . . . . 8 THR CB . 10175 1 10 . 1 1 8 8 THR HB H 1 4.281 0.030 . 1 . . . . 8 THR HB . 10175 1 11 . 1 1 8 8 THR CG2 C 13 21.514 0.300 . 1 . . . . 8 THR CG2 . 10175 1 12 . 1 1 8 8 THR HG21 H 1 1.174 0.030 . 1 . . . . 8 THR HG2 . 10175 1 13 . 1 1 8 8 THR HG22 H 1 1.174 0.030 . 1 . . . . 8 THR HG2 . 10175 1 14 . 1 1 8 8 THR HG23 H 1 1.174 0.030 . 1 . . . . 8 THR HG2 . 10175 1 15 . 1 1 8 8 THR C C 13 175.229 0.300 . 1 . . . . 8 THR C . 10175 1 16 . 1 1 9 9 GLY N N 15 111.010 0.300 . 1 . . . . 9 GLY N . 10175 1 17 . 1 1 9 9 GLY H H 1 8.454 0.030 . 1 . . . . 9 GLY H . 10175 1 18 . 1 1 9 9 GLY CA C 13 45.274 0.300 . 1 . . . . 9 GLY CA . 10175 1 19 . 1 1 9 9 GLY HA2 H 1 3.960 0.030 . 2 . . . . 9 GLY HA2 . 10175 1 20 . 1 1 9 9 GLY HA3 H 1 3.901 0.030 . 2 . . . . 9 GLY HA3 . 10175 1 21 . 1 1 9 9 GLY C C 13 174.065 0.300 . 1 . . . . 9 GLY C . 10175 1 22 . 1 1 10 10 GLU N N 15 120.229 0.300 . 1 . . . . 10 GLU N . 10175 1 23 . 1 1 10 10 GLU H H 1 8.235 0.030 . 1 . . . . 10 GLU H . 10175 1 24 . 1 1 10 10 GLU CA C 13 56.899 0.300 . 1 . . . . 10 GLU CA . 10175 1 25 . 1 1 10 10 GLU HA H 1 4.175 0.030 . 1 . . . . 10 GLU HA . 10175 1 26 . 1 1 10 10 GLU CB C 13 30.419 0.300 . 1 . . . . 10 GLU CB . 10175 1 27 . 1 1 10 10 GLU HB2 H 1 1.986 0.030 . 2 . . . . 10 GLU HB2 . 10175 1 28 . 1 1 10 10 GLU HB3 H 1 1.878 0.030 . 2 . . . . 10 GLU HB3 . 10175 1 29 . 1 1 10 10 GLU CG C 13 36.288 0.300 . 1 . . . . 10 GLU CG . 10175 1 30 . 1 1 10 10 GLU HG2 H 1 2.246 0.030 . 1 . . . . 10 GLU HG2 . 10175 1 31 . 1 1 10 10 GLU HG3 H 1 2.246 0.030 . 1 . . . . 10 GLU HG3 . 10175 1 32 . 1 1 10 10 GLU C C 13 176.478 0.300 . 1 . . . . 10 GLU C . 10175 1 33 . 1 1 11 11 LYS N N 15 121.796 0.300 . 1 . . . . 11 LYS N . 10175 1 34 . 1 1 11 11 LYS H H 1 8.316 0.030 . 1 . . . . 11 LYS H . 10175 1 35 . 1 1 11 11 LYS CA C 13 53.820 0.300 . 1 . . . . 11 LYS CA . 10175 1 36 . 1 1 11 11 LYS HA H 1 4.478 0.030 . 1 . . . . 11 LYS HA . 10175 1 37 . 1 1 11 11 LYS CB C 13 33.093 0.300 . 1 . . . . 11 LYS CB . 10175 1 38 . 1 1 11 11 LYS HB2 H 1 1.571 0.030 . 2 . . . . 11 LYS HB2 . 10175 1 39 . 1 1 11 11 LYS HB3 H 1 1.446 0.030 . 2 . . . . 11 LYS HB3 . 10175 1 40 . 1 1 11 11 LYS CG C 13 24.655 0.300 . 1 . . . . 11 LYS CG . 10175 1 41 . 1 1 11 11 LYS HG2 H 1 1.183 0.030 . 2 . . . . 11 LYS HG2 . 10175 1 42 . 1 1 11 11 LYS HG3 H 1 1.283 0.030 . 2 . . . . 11 LYS HG3 . 10175 1 43 . 1 1 11 11 LYS CD C 13 29.453 0.300 . 1 . . . . 11 LYS CD . 10175 1 44 . 1 1 11 11 LYS HD2 H 1 1.482 0.030 . 1 . . . . 11 LYS HD2 . 10175 1 45 . 1 1 11 11 LYS HD3 H 1 1.482 0.030 . 1 . . . . 11 LYS HD3 . 10175 1 46 . 1 1 11 11 LYS CE C 13 42.223 0.300 . 1 . . . . 11 LYS CE . 10175 1 47 . 1 1 11 11 LYS HE2 H 1 2.893 0.030 . 1 . . . . 11 LYS HE2 . 10175 1 48 . 1 1 11 11 LYS HE3 H 1 2.893 0.030 . 1 . . . . 11 LYS HE3 . 10175 1 49 . 1 1 11 11 LYS C C 13 173.770 0.300 . 1 . . . . 11 LYS C . 10175 1 50 . 1 1 12 12 PRO CA C 13 63.394 0.300 . 1 . . . . 12 PRO CA . 10175 1 51 . 1 1 12 12 PRO HA H 1 4.276 0.030 . 1 . . . . 12 PRO HA . 10175 1 52 . 1 1 12 12 PRO CB C 13 32.241 0.300 . 1 . . . . 12 PRO CB . 10175 1 53 . 1 1 12 12 PRO HB2 H 1 1.328 0.030 . 2 . . . . 12 PRO HB2 . 10175 1 54 . 1 1 12 12 PRO HB3 H 1 2.006 0.030 . 2 . . . . 12 PRO HB3 . 10175 1 55 . 1 1 12 12 PRO CG C 13 26.753 0.300 . 1 . . . . 12 PRO CG . 10175 1 56 . 1 1 12 12 PRO HG2 H 1 1.608 0.030 . 2 . . . . 12 PRO HG2 . 10175 1 57 . 1 1 12 12 PRO HG3 H 1 1.787 0.030 . 2 . . . . 12 PRO HG3 . 10175 1 58 . 1 1 12 12 PRO CD C 13 50.278 0.300 . 1 . . . . 12 PRO CD . 10175 1 59 . 1 1 12 12 PRO HD2 H 1 3.587 0.030 . 1 . . . . 12 PRO HD2 . 10175 1 60 . 1 1 12 12 PRO HD3 H 1 3.587 0.030 . 1 . . . . 12 PRO HD3 . 10175 1 61 . 1 1 12 12 PRO C C 13 176.311 0.300 . 1 . . . . 12 PRO C . 10175 1 62 . 1 1 13 13 TYR N N 15 118.293 0.300 . 1 . . . . 13 TYR N . 10175 1 63 . 1 1 13 13 TYR H H 1 7.943 0.030 . 1 . . . . 13 TYR H . 10175 1 64 . 1 1 13 13 TYR CA C 13 57.354 0.300 . 1 . . . . 13 TYR CA . 10175 1 65 . 1 1 13 13 TYR HA H 1 4.622 0.030 . 1 . . . . 13 TYR HA . 10175 1 66 . 1 1 13 13 TYR CB C 13 38.729 0.300 . 1 . . . . 13 TYR CB . 10175 1 67 . 1 1 13 13 TYR HB2 H 1 2.966 0.030 . 2 . . . . 13 TYR HB2 . 10175 1 68 . 1 1 13 13 TYR HB3 H 1 2.852 0.030 . 2 . . . . 13 TYR HB3 . 10175 1 69 . 1 1 13 13 TYR CD1 C 13 133.156 0.300 . 1 . . . . 13 TYR CD1 . 10175 1 70 . 1 1 13 13 TYR HD1 H 1 7.032 0.030 . 1 . . . . 13 TYR HD1 . 10175 1 71 . 1 1 13 13 TYR CD2 C 13 133.156 0.300 . 1 . . . . 13 TYR CD2 . 10175 1 72 . 1 1 13 13 TYR HD2 H 1 7.032 0.030 . 1 . . . . 13 TYR HD2 . 10175 1 73 . 1 1 13 13 TYR CE1 C 13 118.557 0.300 . 1 . . . . 13 TYR CE1 . 10175 1 74 . 1 1 13 13 TYR HE1 H 1 6.844 0.030 . 1 . . . . 13 TYR HE1 . 10175 1 75 . 1 1 13 13 TYR CE2 C 13 118.557 0.300 . 1 . . . . 13 TYR CE2 . 10175 1 76 . 1 1 13 13 TYR HE2 H 1 6.844 0.030 . 1 . . . . 13 TYR HE2 . 10175 1 77 . 1 1 13 13 TYR C C 13 174.554 0.300 . 1 . . . . 13 TYR C . 10175 1 78 . 1 1 14 14 GLU N N 15 123.940 0.300 . 1 . . . . 14 GLU N . 10175 1 79 . 1 1 14 14 GLU H H 1 8.632 0.030 . 1 . . . . 14 GLU H . 10175 1 80 . 1 1 14 14 GLU CA C 13 54.907 0.300 . 1 . . . . 14 GLU CA . 10175 1 81 . 1 1 14 14 GLU HA H 1 4.961 0.030 . 1 . . . . 14 GLU HA . 10175 1 82 . 1 1 14 14 GLU CB C 13 33.273 0.300 . 1 . . . . 14 GLU CB . 10175 1 83 . 1 1 14 14 GLU HB2 H 1 1.811 0.030 . 1 . . . . 14 GLU HB2 . 10175 1 84 . 1 1 14 14 GLU HB3 H 1 1.811 0.030 . 1 . . . . 14 GLU HB3 . 10175 1 85 . 1 1 14 14 GLU CG C 13 36.898 0.300 . 1 . . . . 14 GLU CG . 10175 1 86 . 1 1 14 14 GLU HG2 H 1 1.936 0.030 . 1 . . . . 14 GLU HG2 . 10175 1 87 . 1 1 14 14 GLU HG3 H 1 1.936 0.030 . 1 . . . . 14 GLU HG3 . 10175 1 88 . 1 1 14 14 GLU C C 13 175.188 0.300 . 1 . . . . 14 GLU C . 10175 1 89 . 1 1 15 15 CYS N N 15 126.724 0.300 . 1 . . . . 15 CYS N . 10175 1 90 . 1 1 15 15 CYS H H 1 9.106 0.030 . 1 . . . . 15 CYS H . 10175 1 91 . 1 1 15 15 CYS CA C 13 59.792 0.300 . 1 . . . . 15 CYS CA . 10175 1 92 . 1 1 15 15 CYS HA H 1 4.470 0.030 . 1 . . . . 15 CYS HA . 10175 1 93 . 1 1 15 15 CYS CB C 13 29.830 0.300 . 1 . . . . 15 CYS CB . 10175 1 94 . 1 1 15 15 CYS HB2 H 1 2.887 0.030 . 2 . . . . 15 CYS HB2 . 10175 1 95 . 1 1 15 15 CYS HB3 H 1 3.375 0.030 . 2 . . . . 15 CYS HB3 . 10175 1 96 . 1 1 15 15 CYS C C 13 176.556 0.300 . 1 . . . . 15 CYS C . 10175 1 97 . 1 1 16 16 ASP N N 15 130.840 0.300 . 1 . . . . 16 ASP N . 10175 1 98 . 1 1 16 16 ASP H H 1 9.184 0.030 . 1 . . . . 16 ASP H . 10175 1 99 . 1 1 16 16 ASP CA C 13 56.098 0.300 . 1 . . . . 16 ASP CA . 10175 1 100 . 1 1 16 16 ASP HA H 1 4.423 0.030 . 1 . . . . 16 ASP HA . 10175 1 101 . 1 1 16 16 ASP CB C 13 40.221 0.300 . 1 . . . . 16 ASP CB . 10175 1 102 . 1 1 16 16 ASP HB2 H 1 2.775 0.030 . 1 . . . . 16 ASP HB2 . 10175 1 103 . 1 1 16 16 ASP HB3 H 1 2.775 0.030 . 1 . . . . 16 ASP HB3 . 10175 1 104 . 1 1 16 16 ASP C C 13 175.891 0.300 . 1 . . . . 16 ASP C . 10175 1 105 . 1 1 17 17 VAL N N 15 121.778 0.300 . 1 . . . . 17 VAL N . 10175 1 106 . 1 1 17 17 VAL H H 1 8.715 0.030 . 1 . . . . 17 VAL H . 10175 1 107 . 1 1 17 17 VAL CA C 13 65.079 0.300 . 1 . . . . 17 VAL CA . 10175 1 108 . 1 1 17 17 VAL HA H 1 3.802 0.030 . 1 . . . . 17 VAL HA . 10175 1 109 . 1 1 17 17 VAL CB C 13 33.070 0.300 . 1 . . . . 17 VAL CB . 10175 1 110 . 1 1 17 17 VAL HB H 1 1.195 0.030 . 1 . . . . 17 VAL HB . 10175 1 111 . 1 1 17 17 VAL CG1 C 13 21.360 0.300 . 2 . . . . 17 VAL CG1 . 10175 1 112 . 1 1 17 17 VAL HG11 H 1 0.779 0.030 . 1 . . . . 17 VAL HG1 . 10175 1 113 . 1 1 17 17 VAL HG12 H 1 0.779 0.030 . 1 . . . . 17 VAL HG1 . 10175 1 114 . 1 1 17 17 VAL HG13 H 1 0.779 0.030 . 1 . . . . 17 VAL HG1 . 10175 1 115 . 1 1 17 17 VAL CG2 C 13 20.311 0.300 . 2 . . . . 17 VAL CG2 . 10175 1 116 . 1 1 17 17 VAL HG21 H 1 0.314 0.030 . 1 . . . . 17 VAL HG2 . 10175 1 117 . 1 1 17 17 VAL HG22 H 1 0.314 0.030 . 1 . . . . 17 VAL HG2 . 10175 1 118 . 1 1 17 17 VAL HG23 H 1 0.314 0.030 . 1 . . . . 17 VAL HG2 . 10175 1 119 . 1 1 17 17 VAL C C 13 177.159 0.300 . 1 . . . . 17 VAL C . 10175 1 120 . 1 1 18 18 CYS N N 15 116.273 0.300 . 1 . . . . 18 CYS N . 10175 1 121 . 1 1 18 18 CYS H H 1 8.033 0.030 . 1 . . . . 18 CYS H . 10175 1 122 . 1 1 18 18 CYS CA C 13 58.364 0.300 . 1 . . . . 18 CYS CA . 10175 1 123 . 1 1 18 18 CYS HA H 1 5.063 0.030 . 1 . . . . 18 CYS HA . 10175 1 124 . 1 1 18 18 CYS CB C 13 32.219 0.300 . 1 . . . . 18 CYS CB . 10175 1 125 . 1 1 18 18 CYS HB2 H 1 2.808 0.030 . 2 . . . . 18 CYS HB2 . 10175 1 126 . 1 1 18 18 CYS HB3 H 1 3.433 0.030 . 2 . . . . 18 CYS HB3 . 10175 1 127 . 1 1 18 18 CYS C C 13 175.604 0.300 . 1 . . . . 18 CYS C . 10175 1 128 . 1 1 19 19 ARG N N 15 116.989 0.300 . 1 . . . . 19 ARG N . 10175 1 129 . 1 1 19 19 ARG H H 1 8.006 0.030 . 1 . . . . 19 ARG H . 10175 1 130 . 1 1 19 19 ARG CA C 13 57.775 0.300 . 1 . . . . 19 ARG CA . 10175 1 131 . 1 1 19 19 ARG HA H 1 4.185 0.030 . 1 . . . . 19 ARG HA . 10175 1 132 . 1 1 19 19 ARG CB C 13 26.272 0.300 . 1 . . . . 19 ARG CB . 10175 1 133 . 1 1 19 19 ARG HB2 H 1 2.149 0.030 . 2 . . . . 19 ARG HB2 . 10175 1 134 . 1 1 19 19 ARG HB3 H 1 2.047 0.030 . 2 . . . . 19 ARG HB3 . 10175 1 135 . 1 1 19 19 ARG CG C 13 27.048 0.300 . 1 . . . . 19 ARG CG . 10175 1 136 . 1 1 19 19 ARG HG2 H 1 1.600 0.030 . 2 . . . . 19 ARG HG2 . 10175 1 137 . 1 1 19 19 ARG HG3 H 1 1.417 0.030 . 2 . . . . 19 ARG HG3 . 10175 1 138 . 1 1 19 19 ARG CD C 13 42.538 0.300 . 1 . . . . 19 ARG CD . 10175 1 139 . 1 1 19 19 ARG HD2 H 1 3.093 0.030 . 2 . . . . 19 ARG HD2 . 10175 1 140 . 1 1 19 19 ARG HD3 H 1 3.156 0.030 . 2 . . . . 19 ARG HD3 . 10175 1 141 . 1 1 19 19 ARG C C 13 175.142 0.300 . 1 . . . . 19 ARG C . 10175 1 142 . 1 1 20 20 LYS N N 15 122.150 0.300 . 1 . . . . 20 LYS N . 10175 1 143 . 1 1 20 20 LYS H H 1 7.911 0.030 . 1 . . . . 20 LYS H . 10175 1 144 . 1 1 20 20 LYS CA C 13 58.232 0.300 . 1 . . . . 20 LYS CA . 10175 1 145 . 1 1 20 20 LYS HA H 1 4.015 0.030 . 1 . . . . 20 LYS HA . 10175 1 146 . 1 1 20 20 LYS CB C 13 33.817 0.300 . 1 . . . . 20 LYS CB . 10175 1 147 . 1 1 20 20 LYS HB2 H 1 1.207 0.030 . 2 . . . . 20 LYS HB2 . 10175 1 148 . 1 1 20 20 LYS HB3 H 1 1.460 0.030 . 2 . . . . 20 LYS HB3 . 10175 1 149 . 1 1 20 20 LYS CG C 13 26.238 0.300 . 1 . . . . 20 LYS CG . 10175 1 150 . 1 1 20 20 LYS HG2 H 1 1.036 0.030 . 2 . . . . 20 LYS HG2 . 10175 1 151 . 1 1 20 20 LYS HG3 H 1 1.407 0.030 . 2 . . . . 20 LYS HG3 . 10175 1 152 . 1 1 20 20 LYS CD C 13 29.356 0.300 . 1 . . . . 20 LYS CD . 10175 1 153 . 1 1 20 20 LYS HD2 H 1 1.498 0.030 . 2 . . . . 20 LYS HD2 . 10175 1 154 . 1 1 20 20 LYS HD3 H 1 1.412 0.030 . 2 . . . . 20 LYS HD3 . 10175 1 155 . 1 1 20 20 LYS CE C 13 42.215 0.300 . 1 . . . . 20 LYS CE . 10175 1 156 . 1 1 20 20 LYS HE2 H 1 2.955 0.030 . 2 . . . . 20 LYS HE2 . 10175 1 157 . 1 1 20 20 LYS HE3 H 1 2.893 0.030 . 2 . . . . 20 LYS HE3 . 10175 1 158 . 1 1 20 20 LYS C C 13 174.015 0.300 . 1 . . . . 20 LYS C . 10175 1 159 . 1 1 21 21 ALA N N 15 124.525 0.300 . 1 . . . . 21 ALA N . 10175 1 160 . 1 1 21 21 ALA H H 1 7.843 0.030 . 1 . . . . 21 ALA H . 10175 1 161 . 1 1 21 21 ALA CA C 13 50.504 0.300 . 1 . . . . 21 ALA CA . 10175 1 162 . 1 1 21 21 ALA HA H 1 5.133 0.030 . 1 . . . . 21 ALA HA . 10175 1 163 . 1 1 21 21 ALA CB C 13 22.105 0.300 . 1 . . . . 21 ALA CB . 10175 1 164 . 1 1 21 21 ALA HB1 H 1 1.234 0.030 . 1 . . . . 21 ALA HB . 10175 1 165 . 1 1 21 21 ALA HB2 H 1 1.234 0.030 . 1 . . . . 21 ALA HB . 10175 1 166 . 1 1 21 21 ALA HB3 H 1 1.234 0.030 . 1 . . . . 21 ALA HB . 10175 1 167 . 1 1 21 21 ALA C C 13 176.441 0.300 . 1 . . . . 21 ALA C . 10175 1 168 . 1 1 22 22 PHE N N 15 116.906 0.300 . 1 . . . . 22 PHE N . 10175 1 169 . 1 1 22 22 PHE H H 1 8.731 0.030 . 1 . . . . 22 PHE H . 10175 1 170 . 1 1 22 22 PHE CA C 13 57.273 0.300 . 1 . . . . 22 PHE CA . 10175 1 171 . 1 1 22 22 PHE HA H 1 4.709 0.030 . 1 . . . . 22 PHE HA . 10175 1 172 . 1 1 22 22 PHE CB C 13 43.819 0.300 . 1 . . . . 22 PHE CB . 10175 1 173 . 1 1 22 22 PHE HB2 H 1 2.649 0.030 . 2 . . . . 22 PHE HB2 . 10175 1 174 . 1 1 22 22 PHE HB3 H 1 3.383 0.030 . 2 . . . . 22 PHE HB3 . 10175 1 175 . 1 1 22 22 PHE CD1 C 13 132.280 0.300 . 1 . . . . 22 PHE CD1 . 10175 1 176 . 1 1 22 22 PHE HD1 H 1 7.200 0.030 . 1 . . . . 22 PHE HD1 . 10175 1 177 . 1 1 22 22 PHE CD2 C 13 132.280 0.300 . 1 . . . . 22 PHE CD2 . 10175 1 178 . 1 1 22 22 PHE HD2 H 1 7.200 0.030 . 1 . . . . 22 PHE HD2 . 10175 1 179 . 1 1 22 22 PHE CE1 C 13 130.667 0.300 . 1 . . . . 22 PHE CE1 . 10175 1 180 . 1 1 22 22 PHE HE1 H 1 6.826 0.030 . 1 . . . . 22 PHE HE1 . 10175 1 181 . 1 1 22 22 PHE CE2 C 13 130.667 0.300 . 1 . . . . 22 PHE CE2 . 10175 1 182 . 1 1 22 22 PHE HE2 H 1 6.826 0.030 . 1 . . . . 22 PHE HE2 . 10175 1 183 . 1 1 22 22 PHE CZ C 13 128.697 0.300 . 1 . . . . 22 PHE CZ . 10175 1 184 . 1 1 22 22 PHE HZ H 1 6.200 0.030 . 1 . . . . 22 PHE HZ . 10175 1 185 . 1 1 22 22 PHE C C 13 175.611 0.300 . 1 . . . . 22 PHE C . 10175 1 186 . 1 1 23 23 SER CA C 13 60.514 0.300 . 1 . . . . 23 SER CA . 10175 1 187 . 1 1 23 23 SER HA H 1 4.552 0.030 . 1 . . . . 23 SER HA . 10175 1 188 . 1 1 23 23 SER CB C 13 63.982 0.300 . 1 . . . . 23 SER CB . 10175 1 189 . 1 1 23 23 SER HB2 H 1 3.920 0.030 . 2 . . . . 23 SER HB2 . 10175 1 190 . 1 1 23 23 SER HB3 H 1 3.850 0.030 . 2 . . . . 23 SER HB3 . 10175 1 191 . 1 1 23 23 SER C C 13 173.478 0.300 . 1 . . . . 23 SER C . 10175 1 192 . 1 1 24 24 HIS N N 15 116.869 0.300 . 1 . . . . 24 HIS N . 10175 1 193 . 1 1 24 24 HIS H H 1 7.472 0.030 . 1 . . . . 24 HIS H . 10175 1 194 . 1 1 24 24 HIS CA C 13 55.417 0.300 . 1 . . . . 24 HIS CA . 10175 1 195 . 1 1 24 24 HIS HA H 1 4.878 0.030 . 1 . . . . 24 HIS HA . 10175 1 196 . 1 1 24 24 HIS CB C 13 33.557 0.300 . 1 . . . . 24 HIS CB . 10175 1 197 . 1 1 24 24 HIS HB2 H 1 3.242 0.030 . 2 . . . . 24 HIS HB2 . 10175 1 198 . 1 1 24 24 HIS HB3 H 1 2.994 0.030 . 2 . . . . 24 HIS HB3 . 10175 1 199 . 1 1 24 24 HIS CD2 C 13 119.297 0.300 . 1 . . . . 24 HIS CD2 . 10175 1 200 . 1 1 24 24 HIS HD2 H 1 7.159 0.030 . 1 . . . . 24 HIS HD2 . 10175 1 201 . 1 1 24 24 HIS CE1 C 13 138.810 0.300 . 1 . . . . 24 HIS CE1 . 10175 1 202 . 1 1 24 24 HIS HE1 H 1 7.777 0.030 . 1 . . . . 24 HIS HE1 . 10175 1 203 . 1 1 24 24 HIS C C 13 175.289 0.300 . 1 . . . . 24 HIS C . 10175 1 204 . 1 1 25 25 HIS CA C 13 60.380 0.300 . 1 . . . . 25 HIS CA . 10175 1 205 . 1 1 25 25 HIS HA H 1 3.237 0.030 . 1 . . . . 25 HIS HA . 10175 1 206 . 1 1 25 25 HIS CB C 13 30.379 0.300 . 1 . . . . 25 HIS CB . 10175 1 207 . 1 1 25 25 HIS HB2 H 1 2.701 0.030 . 2 . . . . 25 HIS HB2 . 10175 1 208 . 1 1 25 25 HIS HB3 H 1 2.533 0.030 . 2 . . . . 25 HIS HB3 . 10175 1 209 . 1 1 25 25 HIS CD2 C 13 118.434 0.300 . 1 . . . . 25 HIS CD2 . 10175 1 210 . 1 1 25 25 HIS HD2 H 1 6.862 0.030 . 1 . . . . 25 HIS HD2 . 10175 1 211 . 1 1 25 25 HIS CE1 C 13 138.257 0.300 . 1 . . . . 25 HIS CE1 . 10175 1 212 . 1 1 25 25 HIS HE1 H 1 7.677 0.030 . 1 . . . . 25 HIS HE1 . 10175 1 213 . 1 1 26 26 ALA CA C 13 54.987 0.300 . 1 . . . . 26 ALA CA . 10175 1 214 . 1 1 26 26 ALA HA H 1 4.047 0.030 . 1 . . . . 26 ALA HA . 10175 1 215 . 1 1 26 26 ALA CB C 13 17.884 0.300 . 1 . . . . 26 ALA CB . 10175 1 216 . 1 1 26 26 ALA HB1 H 1 1.370 0.030 . 1 . . . . 26 ALA HB . 10175 1 217 . 1 1 26 26 ALA HB2 H 1 1.370 0.030 . 1 . . . . 26 ALA HB . 10175 1 218 . 1 1 26 26 ALA HB3 H 1 1.370 0.030 . 1 . . . . 26 ALA HB . 10175 1 219 . 1 1 26 26 ALA C C 13 180.284 0.300 . 1 . . . . 26 ALA C . 10175 1 220 . 1 1 27 27 SER N N 15 112.465 0.300 . 1 . . . . 27 SER N . 10175 1 221 . 1 1 27 27 SER H H 1 7.065 0.030 . 1 . . . . 27 SER H . 10175 1 222 . 1 1 27 27 SER CA C 13 60.698 0.300 . 1 . . . . 27 SER CA . 10175 1 223 . 1 1 27 27 SER HA H 1 4.166 0.030 . 1 . . . . 27 SER HA . 10175 1 224 . 1 1 27 27 SER CB C 13 62.410 0.300 . 1 . . . . 27 SER CB . 10175 1 225 . 1 1 27 27 SER HB2 H 1 4.034 0.030 . 2 . . . . 27 SER HB2 . 10175 1 226 . 1 1 27 27 SER HB3 H 1 3.951 0.030 . 2 . . . . 27 SER HB3 . 10175 1 227 . 1 1 27 27 SER C C 13 176.636 0.300 . 1 . . . . 27 SER C . 10175 1 228 . 1 1 28 28 LEU N N 15 124.235 0.300 . 1 . . . . 28 LEU N . 10175 1 229 . 1 1 28 28 LEU H H 1 7.071 0.030 . 1 . . . . 28 LEU H . 10175 1 230 . 1 1 28 28 LEU CA C 13 58.002 0.300 . 1 . . . . 28 LEU CA . 10175 1 231 . 1 1 28 28 LEU HA H 1 3.173 0.030 . 1 . . . . 28 LEU HA . 10175 1 232 . 1 1 28 28 LEU CB C 13 40.109 0.300 . 1 . . . . 28 LEU CB . 10175 1 233 . 1 1 28 28 LEU HB2 H 1 1.910 0.030 . 2 . . . . 28 LEU HB2 . 10175 1 234 . 1 1 28 28 LEU HB3 H 1 1.160 0.030 . 2 . . . . 28 LEU HB3 . 10175 1 235 . 1 1 28 28 LEU CG C 13 27.494 0.300 . 1 . . . . 28 LEU CG . 10175 1 236 . 1 1 28 28 LEU HG H 1 1.368 0.030 . 1 . . . . 28 LEU HG . 10175 1 237 . 1 1 28 28 LEU CD1 C 13 26.295 0.300 . 2 . . . . 28 LEU CD1 . 10175 1 238 . 1 1 28 28 LEU HD11 H 1 0.942 0.030 . 1 . . . . 28 LEU HD1 . 10175 1 239 . 1 1 28 28 LEU HD12 H 1 0.942 0.030 . 1 . . . . 28 LEU HD1 . 10175 1 240 . 1 1 28 28 LEU HD13 H 1 0.942 0.030 . 1 . . . . 28 LEU HD1 . 10175 1 241 . 1 1 28 28 LEU CD2 C 13 22.756 0.300 . 2 . . . . 28 LEU CD2 . 10175 1 242 . 1 1 28 28 LEU HD21 H 1 0.937 0.030 . 1 . . . . 28 LEU HD2 . 10175 1 243 . 1 1 28 28 LEU HD22 H 1 0.937 0.030 . 1 . . . . 28 LEU HD2 . 10175 1 244 . 1 1 28 28 LEU HD23 H 1 0.937 0.030 . 1 . . . . 28 LEU HD2 . 10175 1 245 . 1 1 28 28 LEU C C 13 177.670 0.300 . 1 . . . . 28 LEU C . 10175 1 246 . 1 1 29 29 THR N N 15 114.830 0.300 . 1 . . . . 29 THR N . 10175 1 247 . 1 1 29 29 THR H H 1 8.211 0.030 . 1 . . . . 29 THR H . 10175 1 248 . 1 1 29 29 THR CA C 13 66.228 0.300 . 1 . . . . 29 THR CA . 10175 1 249 . 1 1 29 29 THR HA H 1 3.893 0.030 . 1 . . . . 29 THR HA . 10175 1 250 . 1 1 29 29 THR CB C 13 68.192 0.300 . 1 . . . . 29 THR CB . 10175 1 251 . 1 1 29 29 THR HB H 1 4.044 0.030 . 1 . . . . 29 THR HB . 10175 1 252 . 1 1 29 29 THR CG2 C 13 21.725 0.300 . 1 . . . . 29 THR CG2 . 10175 1 253 . 1 1 29 29 THR HG21 H 1 1.046 0.030 . 1 . . . . 29 THR HG2 . 10175 1 254 . 1 1 29 29 THR HG22 H 1 1.046 0.030 . 1 . . . . 29 THR HG2 . 10175 1 255 . 1 1 29 29 THR HG23 H 1 1.046 0.030 . 1 . . . . 29 THR HG2 . 10175 1 256 . 1 1 29 29 THR C C 13 177.331 0.300 . 1 . . . . 29 THR C . 10175 1 257 . 1 1 30 30 GLN N N 15 120.065 0.300 . 1 . . . . 30 GLN N . 10175 1 258 . 1 1 30 30 GLN H H 1 7.587 0.030 . 1 . . . . 30 GLN H . 10175 1 259 . 1 1 30 30 GLN CA C 13 58.742 0.300 . 1 . . . . 30 GLN CA . 10175 1 260 . 1 1 30 30 GLN HA H 1 3.938 0.030 . 1 . . . . 30 GLN HA . 10175 1 261 . 1 1 30 30 GLN CB C 13 28.472 0.300 . 1 . . . . 30 GLN CB . 10175 1 262 . 1 1 30 30 GLN HB2 H 1 2.032 0.030 . 2 . . . . 30 GLN HB2 . 10175 1 263 . 1 1 30 30 GLN HB3 H 1 2.003 0.030 . 2 . . . . 30 GLN HB3 . 10175 1 264 . 1 1 30 30 GLN CG C 13 33.617 0.300 . 1 . . . . 30 GLN CG . 10175 1 265 . 1 1 30 30 GLN HG2 H 1 2.404 0.030 . 2 . . . . 30 GLN HG2 . 10175 1 266 . 1 1 30 30 GLN HG3 H 1 2.348 0.030 . 2 . . . . 30 GLN HG3 . 10175 1 267 . 1 1 30 30 GLN NE2 N 15 111.973 0.300 . 1 . . . . 30 GLN NE2 . 10175 1 268 . 1 1 30 30 GLN HE21 H 1 6.846 0.030 . 2 . . . . 30 GLN HE21 . 10175 1 269 . 1 1 30 30 GLN HE22 H 1 7.440 0.030 . 2 . . . . 30 GLN HE22 . 10175 1 270 . 1 1 30 30 GLN C C 13 178.472 0.300 . 1 . . . . 30 GLN C . 10175 1 271 . 1 1 31 31 HIS N N 15 119.314 0.300 . 1 . . . . 31 HIS N . 10175 1 272 . 1 1 31 31 HIS H H 1 7.556 0.030 . 1 . . . . 31 HIS H . 10175 1 273 . 1 1 31 31 HIS CA C 13 58.950 0.300 . 1 . . . . 31 HIS CA . 10175 1 274 . 1 1 31 31 HIS HA H 1 4.200 0.030 . 1 . . . . 31 HIS HA . 10175 1 275 . 1 1 31 31 HIS CB C 13 28.343 0.300 . 1 . . . . 31 HIS CB . 10175 1 276 . 1 1 31 31 HIS HB2 H 1 3.100 0.030 . 2 . . . . 31 HIS HB2 . 10175 1 277 . 1 1 31 31 HIS HB3 H 1 2.873 0.030 . 2 . . . . 31 HIS HB3 . 10175 1 278 . 1 1 31 31 HIS CD2 C 13 127.031 0.300 . 1 . . . . 31 HIS CD2 . 10175 1 279 . 1 1 31 31 HIS HD2 H 1 6.845 0.030 . 1 . . . . 31 HIS HD2 . 10175 1 280 . 1 1 31 31 HIS CE1 C 13 139.765 0.300 . 1 . . . . 31 HIS CE1 . 10175 1 281 . 1 1 31 31 HIS HE1 H 1 8.011 0.030 . 1 . . . . 31 HIS HE1 . 10175 1 282 . 1 1 31 31 HIS C C 13 176.128 0.300 . 1 . . . . 31 HIS C . 10175 1 283 . 1 1 32 32 GLN N N 15 115.215 0.300 . 1 . . . . 32 GLN N . 10175 1 284 . 1 1 32 32 GLN H H 1 8.232 0.030 . 1 . . . . 32 GLN H . 10175 1 285 . 1 1 32 32 GLN CA C 13 59.474 0.300 . 1 . . . . 32 GLN CA . 10175 1 286 . 1 1 32 32 GLN HA H 1 3.602 0.030 . 1 . . . . 32 GLN HA . 10175 1 287 . 1 1 32 32 GLN CB C 13 28.296 0.300 . 1 . . . . 32 GLN CB . 10175 1 288 . 1 1 32 32 GLN HB2 H 1 2.264 0.030 . 2 . . . . 32 GLN HB2 . 10175 1 289 . 1 1 32 32 GLN HB3 H 1 2.171 0.030 . 2 . . . . 32 GLN HB3 . 10175 1 290 . 1 1 32 32 GLN CG C 13 35.466 0.300 . 1 . . . . 32 GLN CG . 10175 1 291 . 1 1 32 32 GLN HG2 H 1 2.788 0.030 . 2 . . . . 32 GLN HG2 . 10175 1 292 . 1 1 32 32 GLN HG3 H 1 2.758 0.030 . 2 . . . . 32 GLN HG3 . 10175 1 293 . 1 1 32 32 GLN NE2 N 15 112.764 0.300 . 1 . . . . 32 GLN NE2 . 10175 1 294 . 1 1 32 32 GLN HE21 H 1 7.045 0.030 . 2 . . . . 32 GLN HE21 . 10175 1 295 . 1 1 32 32 GLN HE22 H 1 7.583 0.030 . 2 . . . . 32 GLN HE22 . 10175 1 296 . 1 1 32 32 GLN C C 13 177.517 0.300 . 1 . . . . 32 GLN C . 10175 1 297 . 1 1 33 33 ARG N N 15 118.018 0.300 . 1 . . . . 33 ARG N . 10175 1 298 . 1 1 33 33 ARG H H 1 7.107 0.030 . 1 . . . . 33 ARG H . 10175 1 299 . 1 1 33 33 ARG CA C 13 58.590 0.300 . 1 . . . . 33 ARG CA . 10175 1 300 . 1 1 33 33 ARG HA H 1 4.093 0.030 . 1 . . . . 33 ARG HA . 10175 1 301 . 1 1 33 33 ARG CB C 13 30.049 0.300 . 1 . . . . 33 ARG CB . 10175 1 302 . 1 1 33 33 ARG HB2 H 1 1.885 0.030 . 2 . . . . 33 ARG HB2 . 10175 1 303 . 1 1 33 33 ARG HB3 H 1 1.776 0.030 . 2 . . . . 33 ARG HB3 . 10175 1 304 . 1 1 33 33 ARG CG C 13 27.395 0.300 . 1 . . . . 33 ARG CG . 10175 1 305 . 1 1 33 33 ARG HG2 H 1 1.797 0.030 . 2 . . . . 33 ARG HG2 . 10175 1 306 . 1 1 33 33 ARG HG3 H 1 1.666 0.030 . 2 . . . . 33 ARG HG3 . 10175 1 307 . 1 1 33 33 ARG CD C 13 43.397 0.300 . 1 . . . . 33 ARG CD . 10175 1 308 . 1 1 33 33 ARG HD2 H 1 3.192 0.030 . 1 . . . . 33 ARG HD2 . 10175 1 309 . 1 1 33 33 ARG HD3 H 1 3.192 0.030 . 1 . . . . 33 ARG HD3 . 10175 1 310 . 1 1 33 33 ARG C C 13 178.675 0.300 . 1 . . . . 33 ARG C . 10175 1 311 . 1 1 34 34 VAL N N 15 116.143 0.300 . 1 . . . . 34 VAL N . 10175 1 312 . 1 1 34 34 VAL H H 1 7.914 0.030 . 1 . . . . 34 VAL H . 10175 1 313 . 1 1 34 34 VAL CA C 13 64.036 0.300 . 1 . . . . 34 VAL CA . 10175 1 314 . 1 1 34 34 VAL HA H 1 3.908 0.030 . 1 . . . . 34 VAL HA . 10175 1 315 . 1 1 34 34 VAL CB C 13 31.098 0.300 . 1 . . . . 34 VAL CB . 10175 1 316 . 1 1 34 34 VAL HB H 1 1.906 0.030 . 1 . . . . 34 VAL HB . 10175 1 317 . 1 1 34 34 VAL CG1 C 13 19.746 0.300 . 2 . . . . 34 VAL CG1 . 10175 1 318 . 1 1 34 34 VAL HG11 H 1 0.614 0.030 . 1 . . . . 34 VAL HG1 . 10175 1 319 . 1 1 34 34 VAL HG12 H 1 0.614 0.030 . 1 . . . . 34 VAL HG1 . 10175 1 320 . 1 1 34 34 VAL HG13 H 1 0.614 0.030 . 1 . . . . 34 VAL HG1 . 10175 1 321 . 1 1 34 34 VAL CG2 C 13 19.484 0.300 . 2 . . . . 34 VAL CG2 . 10175 1 322 . 1 1 34 34 VAL HG21 H 1 0.470 0.030 . 1 . . . . 34 VAL HG2 . 10175 1 323 . 1 1 34 34 VAL HG22 H 1 0.470 0.030 . 1 . . . . 34 VAL HG2 . 10175 1 324 . 1 1 34 34 VAL HG23 H 1 0.470 0.030 . 1 . . . . 34 VAL HG2 . 10175 1 325 . 1 1 34 34 VAL C C 13 177.283 0.300 . 1 . . . . 34 VAL C . 10175 1 326 . 1 1 35 35 HIS N N 15 116.733 0.300 . 1 . . . . 35 HIS N . 10175 1 327 . 1 1 35 35 HIS H H 1 7.116 0.030 . 1 . . . . 35 HIS H . 10175 1 328 . 1 1 35 35 HIS CA C 13 54.703 0.300 . 1 . . . . 35 HIS CA . 10175 1 329 . 1 1 35 35 HIS HA H 1 4.904 0.030 . 1 . . . . 35 HIS HA . 10175 1 330 . 1 1 35 35 HIS CB C 13 28.407 0.300 . 1 . . . . 35 HIS CB . 10175 1 331 . 1 1 35 35 HIS HB2 H 1 3.397 0.030 . 2 . . . . 35 HIS HB2 . 10175 1 332 . 1 1 35 35 HIS HB3 H 1 3.228 0.030 . 2 . . . . 35 HIS HB3 . 10175 1 333 . 1 1 35 35 HIS CD2 C 13 127.527 0.300 . 1 . . . . 35 HIS CD2 . 10175 1 334 . 1 1 35 35 HIS HD2 H 1 6.690 0.030 . 1 . . . . 35 HIS HD2 . 10175 1 335 . 1 1 35 35 HIS CE1 C 13 140.285 0.300 . 1 . . . . 35 HIS CE1 . 10175 1 336 . 1 1 35 35 HIS HE1 H 1 8.087 0.030 . 1 . . . . 35 HIS HE1 . 10175 1 337 . 1 1 35 35 HIS C C 13 175.439 0.300 . 1 . . . . 35 HIS C . 10175 1 338 . 1 1 36 36 SER N N 15 114.877 0.300 . 1 . . . . 36 SER N . 10175 1 339 . 1 1 36 36 SER H H 1 7.726 0.030 . 1 . . . . 36 SER H . 10175 1 340 . 1 1 36 36 SER CA C 13 59.166 0.300 . 1 . . . . 36 SER CA . 10175 1 341 . 1 1 36 36 SER HA H 1 4.425 0.030 . 1 . . . . 36 SER HA . 10175 1 342 . 1 1 36 36 SER CB C 13 63.898 0.300 . 1 . . . . 36 SER CB . 10175 1 343 . 1 1 36 36 SER HB2 H 1 3.907 0.030 . 1 . . . . 36 SER HB2 . 10175 1 344 . 1 1 36 36 SER HB3 H 1 3.907 0.030 . 1 . . . . 36 SER HB3 . 10175 1 345 . 1 1 36 36 SER C C 13 175.093 0.300 . 1 . . . . 36 SER C . 10175 1 346 . 1 1 37 37 GLY N N 15 110.867 0.300 . 1 . . . . 37 GLY N . 10175 1 347 . 1 1 37 37 GLY H H 1 8.365 0.030 . 1 . . . . 37 GLY H . 10175 1 348 . 1 1 37 37 GLY CA C 13 45.313 0.300 . 1 . . . . 37 GLY CA . 10175 1 349 . 1 1 37 37 GLY HA2 H 1 3.980 0.030 . 1 . . . . 37 GLY HA2 . 10175 1 350 . 1 1 37 37 GLY HA3 H 1 3.980 0.030 . 1 . . . . 37 GLY HA3 . 10175 1 351 . 1 1 37 37 GLY C C 13 174.083 0.300 . 1 . . . . 37 GLY C . 10175 1 352 . 1 1 38 38 GLU N N 15 120.469 0.300 . 1 . . . . 38 GLU N . 10175 1 353 . 1 1 38 38 GLU H H 1 8.039 0.030 . 1 . . . . 38 GLU H . 10175 1 354 . 1 1 38 38 GLU CA C 13 56.391 0.300 . 1 . . . . 38 GLU CA . 10175 1 355 . 1 1 38 38 GLU HA H 1 4.249 0.030 . 1 . . . . 38 GLU HA . 10175 1 356 . 1 1 38 38 GLU CB C 13 30.526 0.300 . 1 . . . . 38 GLU CB . 10175 1 357 . 1 1 38 38 GLU HB2 H 1 1.908 0.030 . 2 . . . . 38 GLU HB2 . 10175 1 358 . 1 1 38 38 GLU HB3 H 1 1.996 0.030 . 2 . . . . 38 GLU HB3 . 10175 1 359 . 1 1 38 38 GLU CG C 13 36.275 0.300 . 1 . . . . 38 GLU CG . 10175 1 360 . 1 1 38 38 GLU HG2 H 1 2.242 0.030 . 2 . . . . 38 GLU HG2 . 10175 1 361 . 1 1 38 38 GLU HG3 H 1 2.201 0.030 . 2 . . . . 38 GLU HG3 . 10175 1 362 . 1 1 38 38 GLU C C 13 176.248 0.300 . 1 . . . . 38 GLU C . 10175 1 363 . 1 1 39 39 LYS N N 15 123.743 0.300 . 1 . . . . 39 LYS N . 10175 1 364 . 1 1 39 39 LYS H H 1 8.418 0.030 . 1 . . . . 39 LYS H . 10175 1 365 . 1 1 39 39 LYS CA C 13 54.112 0.300 . 1 . . . . 39 LYS CA . 10175 1 366 . 1 1 39 39 LYS HA H 1 4.600 0.030 . 1 . . . . 39 LYS HA . 10175 1 367 . 1 1 39 39 LYS CB C 13 32.515 0.300 . 1 . . . . 39 LYS CB . 10175 1 368 . 1 1 39 39 LYS HB2 H 1 1.718 0.030 . 2 . . . . 39 LYS HB2 . 10175 1 369 . 1 1 39 39 LYS HB3 H 1 1.807 0.030 . 2 . . . . 39 LYS HB3 . 10175 1 370 . 1 1 39 39 LYS CG C 13 24.490 0.300 . 1 . . . . 39 LYS CG . 10175 1 371 . 1 1 39 39 LYS HG2 H 1 1.449 0.030 . 1 . . . . 39 LYS HG2 . 10175 1 372 . 1 1 39 39 LYS HG3 H 1 1.449 0.030 . 1 . . . . 39 LYS HG3 . 10175 1 373 . 1 1 39 39 LYS CD C 13 29.195 0.300 . 1 . . . . 39 LYS CD . 10175 1 374 . 1 1 39 39 LYS HD2 H 1 1.679 0.030 . 1 . . . . 39 LYS HD2 . 10175 1 375 . 1 1 39 39 LYS HD3 H 1 1.679 0.030 . 1 . . . . 39 LYS HD3 . 10175 1 376 . 1 1 39 39 LYS CE C 13 42.215 0.300 . 1 . . . . 39 LYS CE . 10175 1 377 . 1 1 39 39 LYS HE2 H 1 2.984 0.030 . 1 . . . . 39 LYS HE2 . 10175 1 378 . 1 1 39 39 LYS HE3 H 1 2.984 0.030 . 1 . . . . 39 LYS HE3 . 10175 1 379 . 1 1 39 39 LYS C C 13 174.467 0.300 . 1 . . . . 39 LYS C . 10175 1 380 . 1 1 40 40 PRO CA C 13 63.226 0.300 . 1 . . . . 40 PRO CA . 10175 1 381 . 1 1 40 40 PRO HA H 1 4.454 0.030 . 1 . . . . 40 PRO HA . 10175 1 382 . 1 1 40 40 PRO CB C 13 32.184 0.300 . 1 . . . . 40 PRO CB . 10175 1 383 . 1 1 40 40 PRO HB2 H 1 2.297 0.030 . 2 . . . . 40 PRO HB2 . 10175 1 384 . 1 1 40 40 PRO HB3 H 1 1.925 0.030 . 2 . . . . 40 PRO HB3 . 10175 1 385 . 1 1 40 40 PRO CG C 13 27.455 0.300 . 1 . . . . 40 PRO CG . 10175 1 386 . 1 1 40 40 PRO HG2 H 1 2.021 0.030 . 2 . . . . 40 PRO HG2 . 10175 1 387 . 1 1 40 40 PRO HG3 H 1 1.995 0.030 . 2 . . . . 40 PRO HG3 . 10175 1 388 . 1 1 40 40 PRO CD C 13 50.671 0.300 . 1 . . . . 40 PRO CD . 10175 1 389 . 1 1 40 40 PRO HD2 H 1 3.809 0.030 . 2 . . . . 40 PRO HD2 . 10175 1 390 . 1 1 40 40 PRO HD3 H 1 3.631 0.030 . 2 . . . . 40 PRO HD3 . 10175 1 stop_ save_