################################### # 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 11392 _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 15N-separated NOESY' 1 $sample_1 isotropic 11392 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11392 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11392 1 2 $NMRPipe . . 11392 1 3 $NMRView . . 11392 1 4 $Kujira . . 11392 1 5 $CYANA . . 11392 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 C C 13 174.477 0.300 . 1 . . . . 7 GLY C . 11392 1 2 . 1 1 7 7 GLY CA C 13 45.323 0.300 . 1 . . . . 7 GLY CA . 11392 1 3 . 1 1 8 8 THR H H 1 8.127 0.030 . 1 . . . . 8 THR H . 11392 1 4 . 1 1 8 8 THR HA H 1 4.367 0.030 . 1 . . . . 8 THR HA . 11392 1 5 . 1 1 8 8 THR HB H 1 4.284 0.030 . 1 . . . . 8 THR HB . 11392 1 6 . 1 1 8 8 THR HG21 H 1 1.180 0.030 . 1 . . . . 8 THR HG2 . 11392 1 7 . 1 1 8 8 THR HG22 H 1 1.180 0.030 . 1 . . . . 8 THR HG2 . 11392 1 8 . 1 1 8 8 THR HG23 H 1 1.180 0.030 . 1 . . . . 8 THR HG2 . 11392 1 9 . 1 1 8 8 THR C C 13 175.278 0.300 . 1 . . . . 8 THR C . 11392 1 10 . 1 1 8 8 THR CA C 13 61.831 0.300 . 1 . . . . 8 THR CA . 11392 1 11 . 1 1 8 8 THR CB C 13 69.794 0.300 . 1 . . . . 8 THR CB . 11392 1 12 . 1 1 8 8 THR CG2 C 13 21.553 0.300 . 1 . . . . 8 THR CG2 . 11392 1 13 . 1 1 8 8 THR N N 15 112.806 0.300 . 1 . . . . 8 THR N . 11392 1 14 . 1 1 9 9 GLY H H 1 8.432 0.030 . 1 . . . . 9 GLY H . 11392 1 15 . 1 1 9 9 GLY HA2 H 1 3.935 0.030 . 2 . . . . 9 GLY HA2 . 11392 1 16 . 1 1 9 9 GLY HA3 H 1 3.974 0.030 . 2 . . . . 9 GLY HA3 . 11392 1 17 . 1 1 9 9 GLY C C 13 174.002 0.300 . 1 . . . . 9 GLY C . 11392 1 18 . 1 1 9 9 GLY CA C 13 45.261 0.300 . 1 . . . . 9 GLY CA . 11392 1 19 . 1 1 9 9 GLY N N 15 111.027 0.300 . 1 . . . . 9 GLY N . 11392 1 20 . 1 1 10 10 GLU H H 1 8.225 0.030 . 1 . . . . 10 GLU H . 11392 1 21 . 1 1 10 10 GLU HA H 1 4.196 0.030 . 1 . . . . 10 GLU HA . 11392 1 22 . 1 1 10 10 GLU HB2 H 1 1.985 0.030 . 2 . . . . 10 GLU HB2 . 11392 1 23 . 1 1 10 10 GLU HB3 H 1 1.887 0.030 . 2 . . . . 10 GLU HB3 . 11392 1 24 . 1 1 10 10 GLU HG2 H 1 2.195 0.030 . 2 . . . . 10 GLU HG2 . 11392 1 25 . 1 1 10 10 GLU HG3 H 1 2.251 0.030 . 2 . . . . 10 GLU HG3 . 11392 1 26 . 1 1 10 10 GLU C C 13 176.361 0.300 . 1 . . . . 10 GLU C . 11392 1 27 . 1 1 10 10 GLU CA C 13 56.808 0.300 . 1 . . . . 10 GLU CA . 11392 1 28 . 1 1 10 10 GLU CB C 13 30.467 0.300 . 1 . . . . 10 GLU CB . 11392 1 29 . 1 1 10 10 GLU CG C 13 36.294 0.300 . 1 . . . . 10 GLU CG . 11392 1 30 . 1 1 10 10 GLU N N 15 120.182 0.300 . 1 . . . . 10 GLU N . 11392 1 31 . 1 1 11 11 LYS H H 1 8.322 0.030 . 1 . . . . 11 LYS H . 11392 1 32 . 1 1 11 11 LYS HA H 1 4.528 0.030 . 1 . . . . 11 LYS HA . 11392 1 33 . 1 1 11 11 LYS HB2 H 1 1.602 0.030 . 2 . . . . 11 LYS HB2 . 11392 1 34 . 1 1 11 11 LYS HB3 H 1 1.535 0.030 . 2 . . . . 11 LYS HB3 . 11392 1 35 . 1 1 11 11 LYS HD2 H 1 1.569 0.030 . 2 . . . . 11 LYS HD2 . 11392 1 36 . 1 1 11 11 LYS HD3 H 1 1.533 0.030 . 2 . . . . 11 LYS HD3 . 11392 1 37 . 1 1 11 11 LYS HE2 H 1 2.986 0.030 . 2 . . . . 11 LYS HE2 . 11392 1 38 . 1 1 11 11 LYS HE3 H 1 2.924 0.030 . 2 . . . . 11 LYS HE3 . 11392 1 39 . 1 1 11 11 LYS HG2 H 1 1.324 0.030 . 2 . . . . 11 LYS HG2 . 11392 1 40 . 1 1 11 11 LYS HG3 H 1 1.216 0.030 . 2 . . . . 11 LYS HG3 . 11392 1 41 . 1 1 11 11 LYS C C 13 174.151 0.300 . 1 . . . . 11 LYS C . 11392 1 42 . 1 1 11 11 LYS CA C 13 53.878 0.300 . 1 . . . . 11 LYS CA . 11392 1 43 . 1 1 11 11 LYS CB C 13 32.697 0.300 . 1 . . . . 11 LYS CB . 11392 1 44 . 1 1 11 11 LYS CD C 13 29.199 0.300 . 1 . . . . 11 LYS CD . 11392 1 45 . 1 1 11 11 LYS CE C 13 42.219 0.300 . 1 . . . . 11 LYS CE . 11392 1 46 . 1 1 11 11 LYS CG C 13 24.523 0.300 . 1 . . . . 11 LYS CG . 11392 1 47 . 1 1 11 11 LYS N N 15 121.911 0.300 . 1 . . . . 11 LYS N . 11392 1 48 . 1 1 12 12 PRO HA H 1 4.270 0.030 . 1 . . . . 12 PRO HA . 11392 1 49 . 1 1 12 12 PRO HB2 H 1 1.975 0.030 . 2 . . . . 12 PRO HB2 . 11392 1 50 . 1 1 12 12 PRO HB3 H 1 1.337 0.030 . 2 . . . . 12 PRO HB3 . 11392 1 51 . 1 1 12 12 PRO HD2 H 1 3.556 0.030 . 1 . . . . 12 PRO HD2 . 11392 1 52 . 1 1 12 12 PRO HD3 H 1 3.556 0.030 . 1 . . . . 12 PRO HD3 . 11392 1 53 . 1 1 12 12 PRO HG2 H 1 1.554 0.030 . 2 . . . . 12 PRO HG2 . 11392 1 54 . 1 1 12 12 PRO HG3 H 1 1.762 0.030 . 2 . . . . 12 PRO HG3 . 11392 1 55 . 1 1 12 12 PRO C C 13 176.498 0.300 . 1 . . . . 12 PRO C . 11392 1 56 . 1 1 12 12 PRO CA C 13 63.500 0.300 . 1 . . . . 12 PRO CA . 11392 1 57 . 1 1 12 12 PRO CB C 13 32.133 0.300 . 1 . . . . 12 PRO CB . 11392 1 58 . 1 1 12 12 PRO CD C 13 50.322 0.300 . 1 . . . . 12 PRO CD . 11392 1 59 . 1 1 12 12 PRO CG C 13 26.702 0.300 . 1 . . . . 12 PRO CG . 11392 1 60 . 1 1 13 13 PHE H H 1 8.240 0.030 . 1 . . . . 13 PHE H . 11392 1 61 . 1 1 13 13 PHE HA H 1 4.737 0.030 . 1 . . . . 13 PHE HA . 11392 1 62 . 1 1 13 13 PHE HB2 H 1 2.874 0.030 . 2 . . . . 13 PHE HB2 . 11392 1 63 . 1 1 13 13 PHE HB3 H 1 3.031 0.030 . 2 . . . . 13 PHE HB3 . 11392 1 64 . 1 1 13 13 PHE HD1 H 1 7.024 0.030 . 1 . . . . 13 PHE HD1 . 11392 1 65 . 1 1 13 13 PHE HD2 H 1 7.024 0.030 . 1 . . . . 13 PHE HD2 . 11392 1 66 . 1 1 13 13 PHE HE1 H 1 7.276 0.030 . 1 . . . . 13 PHE HE1 . 11392 1 67 . 1 1 13 13 PHE HE2 H 1 7.276 0.030 . 1 . . . . 13 PHE HE2 . 11392 1 68 . 1 1 13 13 PHE HZ H 1 7.318 0.030 . 1 . . . . 13 PHE HZ . 11392 1 69 . 1 1 13 13 PHE C C 13 174.364 0.300 . 1 . . . . 13 PHE C . 11392 1 70 . 1 1 13 13 PHE CA C 13 56.593 0.300 . 1 . . . . 13 PHE CA . 11392 1 71 . 1 1 13 13 PHE CB C 13 38.969 0.300 . 1 . . . . 13 PHE CB . 11392 1 72 . 1 1 13 13 PHE CD1 C 13 131.378 0.300 . 1 . . . . 13 PHE CD1 . 11392 1 73 . 1 1 13 13 PHE CD2 C 13 131.378 0.300 . 1 . . . . 13 PHE CD2 . 11392 1 74 . 1 1 13 13 PHE CE1 C 13 131.414 0.300 . 1 . . . . 13 PHE CE1 . 11392 1 75 . 1 1 13 13 PHE CE2 C 13 131.414 0.300 . 1 . . . . 13 PHE CE2 . 11392 1 76 . 1 1 13 13 PHE CZ C 13 129.721 0.300 . 1 . . . . 13 PHE CZ . 11392 1 77 . 1 1 13 13 PHE N N 15 118.626 0.300 . 1 . . . . 13 PHE N . 11392 1 78 . 1 1 14 14 ASP H H 1 8.013 0.030 . 1 . . . . 14 ASP H . 11392 1 79 . 1 1 14 14 ASP HA H 1 5.201 0.030 . 1 . . . . 14 ASP HA . 11392 1 80 . 1 1 14 14 ASP HB2 H 1 2.378 0.030 . 1 . . . . 14 ASP HB2 . 11392 1 81 . 1 1 14 14 ASP HB3 H 1 2.378 0.030 . 1 . . . . 14 ASP HB3 . 11392 1 82 . 1 1 14 14 ASP C C 13 175.816 0.300 . 1 . . . . 14 ASP C . 11392 1 83 . 1 1 14 14 ASP CA C 13 53.193 0.300 . 1 . . . . 14 ASP CA . 11392 1 84 . 1 1 14 14 ASP CB C 13 42.077 0.300 . 1 . . . . 14 ASP CB . 11392 1 85 . 1 1 14 14 ASP N N 15 120.814 0.300 . 1 . . . . 14 ASP N . 11392 1 86 . 1 1 15 15 CYS H H 1 9.143 0.030 . 1 . . . . 15 CYS H . 11392 1 87 . 1 1 15 15 CYS HA H 1 4.665 0.030 . 1 . . . . 15 CYS HA . 11392 1 88 . 1 1 15 15 CYS HB2 H 1 3.403 0.030 . 2 . . . . 15 CYS HB2 . 11392 1 89 . 1 1 15 15 CYS HB3 H 1 2.845 0.030 . 2 . . . . 15 CYS HB3 . 11392 1 90 . 1 1 15 15 CYS C C 13 177.927 0.300 . 1 . . . . 15 CYS C . 11392 1 91 . 1 1 15 15 CYS CA C 13 59.170 0.300 . 1 . . . . 15 CYS CA . 11392 1 92 . 1 1 15 15 CYS CB C 13 29.808 0.300 . 1 . . . . 15 CYS CB . 11392 1 93 . 1 1 15 15 CYS N N 15 123.367 0.300 . 1 . . . . 15 CYS N . 11392 1 94 . 1 1 16 16 ILE H H 1 9.125 0.030 . 1 . . . . 16 ILE H . 11392 1 95 . 1 1 16 16 ILE HA H 1 4.108 0.030 . 1 . . . . 16 ILE HA . 11392 1 96 . 1 1 16 16 ILE HB H 1 1.985 0.030 . 1 . . . . 16 ILE HB . 11392 1 97 . 1 1 16 16 ILE HD11 H 1 0.900 0.030 . 1 . . . . 16 ILE HD1 . 11392 1 98 . 1 1 16 16 ILE HD12 H 1 0.900 0.030 . 1 . . . . 16 ILE HD1 . 11392 1 99 . 1 1 16 16 ILE HD13 H 1 0.900 0.030 . 1 . . . . 16 ILE HD1 . 11392 1 100 . 1 1 16 16 ILE HG12 H 1 1.449 0.030 . 2 . . . . 16 ILE HG12 . 11392 1 101 . 1 1 16 16 ILE HG13 H 1 1.304 0.030 . 2 . . . . 16 ILE HG13 . 11392 1 102 . 1 1 16 16 ILE HG21 H 1 0.985 0.030 . 1 . . . . 16 ILE HG2 . 11392 1 103 . 1 1 16 16 ILE HG22 H 1 0.985 0.030 . 1 . . . . 16 ILE HG2 . 11392 1 104 . 1 1 16 16 ILE HG23 H 1 0.985 0.030 . 1 . . . . 16 ILE HG2 . 11392 1 105 . 1 1 16 16 ILE C C 13 175.866 0.300 . 1 . . . . 16 ILE C . 11392 1 106 . 1 1 16 16 ILE CA C 13 63.319 0.300 . 1 . . . . 16 ILE CA . 11392 1 107 . 1 1 16 16 ILE CB C 13 38.314 0.300 . 1 . . . . 16 ILE CB . 11392 1 108 . 1 1 16 16 ILE CD1 C 13 13.979 0.300 . 1 . . . . 16 ILE CD1 . 11392 1 109 . 1 1 16 16 ILE CG1 C 13 27.453 0.300 . 1 . . . . 16 ILE CG1 . 11392 1 110 . 1 1 16 16 ILE CG2 C 13 17.690 0.300 . 1 . . . . 16 ILE CG2 . 11392 1 111 . 1 1 16 16 ILE N N 15 112.756 0.300 . 1 . . . . 16 ILE N . 11392 1 112 . 1 1 17 17 ASP H H 1 8.390 0.030 . 1 . . . . 17 ASP H . 11392 1 113 . 1 1 17 17 ASP HA H 1 4.526 0.030 . 1 . . . . 17 ASP HA . 11392 1 114 . 1 1 17 17 ASP HB2 H 1 1.511 0.030 . 2 . . . . 17 ASP HB2 . 11392 1 115 . 1 1 17 17 ASP HB3 H 1 1.848 0.030 . 2 . . . . 17 ASP HB3 . 11392 1 116 . 1 1 17 17 ASP C C 13 176.730 0.300 . 1 . . . . 17 ASP C . 11392 1 117 . 1 1 17 17 ASP CA C 13 57.202 0.300 . 1 . . . . 17 ASP CA . 11392 1 118 . 1 1 17 17 ASP CB C 13 41.556 0.300 . 1 . . . . 17 ASP CB . 11392 1 119 . 1 1 17 17 ASP N N 15 121.818 0.300 . 1 . . . . 17 ASP N . 11392 1 120 . 1 1 18 18 CYS H H 1 7.853 0.030 . 1 . . . . 18 CYS H . 11392 1 121 . 1 1 18 18 CYS HA H 1 5.158 0.030 . 1 . . . . 18 CYS HA . 11392 1 122 . 1 1 18 18 CYS HB2 H 1 3.409 0.030 . 2 . . . . 18 CYS HB2 . 11392 1 123 . 1 1 18 18 CYS HB3 H 1 2.873 0.030 . 2 . . . . 18 CYS HB3 . 11392 1 124 . 1 1 18 18 CYS C C 13 176.014 0.300 . 1 . . . . 18 CYS C . 11392 1 125 . 1 1 18 18 CYS CA C 13 58.759 0.300 . 1 . . . . 18 CYS CA . 11392 1 126 . 1 1 18 18 CYS CB C 13 32.311 0.300 . 1 . . . . 18 CYS CB . 11392 1 127 . 1 1 18 18 CYS N N 15 114.924 0.300 . 1 . . . . 18 CYS N . 11392 1 128 . 1 1 19 19 GLY H H 1 8.418 0.030 . 1 . . . . 19 GLY H . 11392 1 129 . 1 1 19 19 GLY HA2 H 1 3.860 0.030 . 2 . . . . 19 GLY HA2 . 11392 1 130 . 1 1 19 19 GLY HA3 H 1 4.242 0.030 . 2 . . . . 19 GLY HA3 . 11392 1 131 . 1 1 19 19 GLY C C 13 174.002 0.300 . 1 . . . . 19 GLY C . 11392 1 132 . 1 1 19 19 GLY CA C 13 46.146 0.300 . 1 . . . . 19 GLY CA . 11392 1 133 . 1 1 19 19 GLY N N 15 113.686 0.300 . 1 . . . . 19 GLY N . 11392 1 134 . 1 1 20 20 LYS H H 1 7.887 0.030 . 1 . . . . 20 LYS H . 11392 1 135 . 1 1 20 20 LYS HA H 1 3.995 0.030 . 1 . . . . 20 LYS HA . 11392 1 136 . 1 1 20 20 LYS HB2 H 1 1.301 0.030 . 2 . . . . 20 LYS HB2 . 11392 1 137 . 1 1 20 20 LYS HB3 H 1 1.433 0.030 . 2 . . . . 20 LYS HB3 . 11392 1 138 . 1 1 20 20 LYS HD2 H 1 1.535 0.030 . 2 . . . . 20 LYS HD2 . 11392 1 139 . 1 1 20 20 LYS HD3 H 1 1.470 0.030 . 2 . . . . 20 LYS HD3 . 11392 1 140 . 1 1 20 20 LYS HE2 H 1 2.916 0.030 . 2 . . . . 20 LYS HE2 . 11392 1 141 . 1 1 20 20 LYS HE3 H 1 2.981 0.030 . 2 . . . . 20 LYS HE3 . 11392 1 142 . 1 1 20 20 LYS HG2 H 1 1.156 0.030 . 2 . . . . 20 LYS HG2 . 11392 1 143 . 1 1 20 20 LYS HG3 H 1 1.465 0.030 . 2 . . . . 20 LYS HG3 . 11392 1 144 . 1 1 20 20 LYS C C 13 173.563 0.300 . 1 . . . . 20 LYS C . 11392 1 145 . 1 1 20 20 LYS CA C 13 58.123 0.300 . 1 . . . . 20 LYS CA . 11392 1 146 . 1 1 20 20 LYS CB C 13 33.930 0.300 . 1 . . . . 20 LYS CB . 11392 1 147 . 1 1 20 20 LYS CD C 13 29.321 0.300 . 1 . . . . 20 LYS CD . 11392 1 148 . 1 1 20 20 LYS CE C 13 42.289 0.300 . 1 . . . . 20 LYS CE . 11392 1 149 . 1 1 20 20 LYS CG C 13 26.294 0.300 . 1 . . . . 20 LYS CG . 11392 1 150 . 1 1 20 20 LYS N N 15 122.838 0.300 . 1 . . . . 20 LYS N . 11392 1 151 . 1 1 21 21 ALA H H 1 7.718 0.030 . 1 . . . . 21 ALA H . 11392 1 152 . 1 1 21 21 ALA HA H 1 4.955 0.030 . 1 . . . . 21 ALA HA . 11392 1 153 . 1 1 21 21 ALA HB1 H 1 1.218 0.030 . 1 . . . . 21 ALA HB . 11392 1 154 . 1 1 21 21 ALA HB2 H 1 1.218 0.030 . 1 . . . . 21 ALA HB . 11392 1 155 . 1 1 21 21 ALA HB3 H 1 1.218 0.030 . 1 . . . . 21 ALA HB . 11392 1 156 . 1 1 21 21 ALA C C 13 176.637 0.300 . 1 . . . . 21 ALA C . 11392 1 157 . 1 1 21 21 ALA CA C 13 51.204 0.300 . 1 . . . . 21 ALA CA . 11392 1 158 . 1 1 21 21 ALA CB C 13 22.067 0.300 . 1 . . . . 21 ALA CB . 11392 1 159 . 1 1 21 21 ALA N N 15 123.960 0.300 . 1 . . . . 21 ALA N . 11392 1 160 . 1 1 22 22 PHE H H 1 8.290 0.030 . 1 . . . . 22 PHE H . 11392 1 161 . 1 1 22 22 PHE HA H 1 4.567 0.030 . 1 . . . . 22 PHE HA . 11392 1 162 . 1 1 22 22 PHE HB2 H 1 3.464 0.030 . 2 . . . . 22 PHE HB2 . 11392 1 163 . 1 1 22 22 PHE HB3 H 1 2.970 0.030 . 2 . . . . 22 PHE HB3 . 11392 1 164 . 1 1 22 22 PHE HD1 H 1 7.278 0.030 . 1 . . . . 22 PHE HD1 . 11392 1 165 . 1 1 22 22 PHE HD2 H 1 7.278 0.030 . 1 . . . . 22 PHE HD2 . 11392 1 166 . 1 1 22 22 PHE HE1 H 1 6.785 0.030 . 1 . . . . 22 PHE HE1 . 11392 1 167 . 1 1 22 22 PHE HE2 H 1 6.785 0.030 . 1 . . . . 22 PHE HE2 . 11392 1 168 . 1 1 22 22 PHE HZ H 1 6.293 0.030 . 1 . . . . 22 PHE HZ . 11392 1 169 . 1 1 22 22 PHE C C 13 175.306 0.300 . 1 . . . . 22 PHE C . 11392 1 170 . 1 1 22 22 PHE CA C 13 57.809 0.300 . 1 . . . . 22 PHE CA . 11392 1 171 . 1 1 22 22 PHE CB C 13 42.690 0.300 . 1 . . . . 22 PHE CB . 11392 1 172 . 1 1 22 22 PHE CD1 C 13 131.886 0.300 . 1 . . . . 22 PHE CD1 . 11392 1 173 . 1 1 22 22 PHE CD2 C 13 131.886 0.300 . 1 . . . . 22 PHE CD2 . 11392 1 174 . 1 1 22 22 PHE CE1 C 13 130.770 0.300 . 1 . . . . 22 PHE CE1 . 11392 1 175 . 1 1 22 22 PHE CE2 C 13 130.770 0.300 . 1 . . . . 22 PHE CE2 . 11392 1 176 . 1 1 22 22 PHE CZ C 13 128.724 0.300 . 1 . . . . 22 PHE CZ . 11392 1 177 . 1 1 22 22 PHE N N 15 117.925 0.300 . 1 . . . . 22 PHE N . 11392 1 178 . 1 1 23 23 SER H H 1 9.072 0.030 . 1 . . . . 23 SER H . 11392 1 179 . 1 1 23 23 SER HA H 1 4.537 0.030 . 1 . . . . 23 SER HA . 11392 1 180 . 1 1 23 23 SER HB2 H 1 3.950 0.030 . 2 . . . . 23 SER HB2 . 11392 1 181 . 1 1 23 23 SER HB3 H 1 4.003 0.030 . 2 . . . . 23 SER HB3 . 11392 1 182 . 1 1 23 23 SER C C 13 173.274 0.300 . 1 . . . . 23 SER C . 11392 1 183 . 1 1 23 23 SER CA C 13 59.944 0.300 . 1 . . . . 23 SER CA . 11392 1 184 . 1 1 23 23 SER CB C 13 64.174 0.300 . 1 . . . . 23 SER CB . 11392 1 185 . 1 1 23 23 SER N N 15 114.729 0.300 . 1 . . . . 23 SER N . 11392 1 186 . 1 1 24 24 ASP H H 1 7.698 0.030 . 1 . . . . 24 ASP H . 11392 1 187 . 1 1 24 24 ASP HA H 1 4.122 0.030 . 1 . . . . 24 ASP HA . 11392 1 188 . 1 1 24 24 ASP HB2 H 1 2.789 0.030 . 1 . . . . 24 ASP HB2 . 11392 1 189 . 1 1 24 24 ASP HB3 H 1 2.789 0.030 . 1 . . . . 24 ASP HB3 . 11392 1 190 . 1 1 24 24 ASP C C 13 174.180 0.300 . 1 . . . . 24 ASP C . 11392 1 191 . 1 1 24 24 ASP CA C 13 52.338 0.300 . 1 . . . . 24 ASP CA . 11392 1 192 . 1 1 24 24 ASP CB C 13 42.874 0.300 . 1 . . . . 24 ASP CB . 11392 1 193 . 1 1 24 24 ASP N N 15 116.670 0.300 . 1 . . . . 24 ASP N . 11392 1 194 . 1 1 25 25 HIS H H 1 7.973 0.030 . 1 . . . . 25 HIS H . 11392 1 195 . 1 1 25 25 HIS HA H 1 3.761 0.030 . 1 . . . . 25 HIS HA . 11392 1 196 . 1 1 25 25 HIS HB2 H 1 2.895 0.030 . 2 . . . . 25 HIS HB2 . 11392 1 197 . 1 1 25 25 HIS HB3 H 1 2.811 0.030 . 2 . . . . 25 HIS HB3 . 11392 1 198 . 1 1 25 25 HIS HD2 H 1 6.895 0.030 . 1 . . . . 25 HIS HD2 . 11392 1 199 . 1 1 25 25 HIS HE1 H 1 7.742 0.030 . 1 . . . . 25 HIS HE1 . 11392 1 200 . 1 1 25 25 HIS C C 13 177.041 0.300 . 1 . . . . 25 HIS C . 11392 1 201 . 1 1 25 25 HIS CA C 13 59.082 0.300 . 1 . . . . 25 HIS CA . 11392 1 202 . 1 1 25 25 HIS CB C 13 30.407 0.300 . 1 . . . . 25 HIS CB . 11392 1 203 . 1 1 25 25 HIS CD2 C 13 119.304 0.300 . 1 . . . . 25 HIS CD2 . 11392 1 204 . 1 1 25 25 HIS CE1 C 13 138.701 0.300 . 1 . . . . 25 HIS CE1 . 11392 1 205 . 1 1 25 25 HIS N N 15 117.409 0.300 . 1 . . . . 25 HIS N . 11392 1 206 . 1 1 26 26 ILE H H 1 7.319 0.030 . 1 . . . . 26 ILE H . 11392 1 207 . 1 1 26 26 ILE HA H 1 3.595 0.030 . 1 . . . . 26 ILE HA . 11392 1 208 . 1 1 26 26 ILE HB H 1 1.796 0.030 . 1 . . . . 26 ILE HB . 11392 1 209 . 1 1 26 26 ILE HD11 H 1 0.764 0.030 . 1 . . . . 26 ILE HD1 . 11392 1 210 . 1 1 26 26 ILE HD12 H 1 0.764 0.030 . 1 . . . . 26 ILE HD1 . 11392 1 211 . 1 1 26 26 ILE HD13 H 1 0.764 0.030 . 1 . . . . 26 ILE HD1 . 11392 1 212 . 1 1 26 26 ILE HG12 H 1 1.229 0.030 . 2 . . . . 26 ILE HG12 . 11392 1 213 . 1 1 26 26 ILE HG13 H 1 0.955 0.030 . 2 . . . . 26 ILE HG13 . 11392 1 214 . 1 1 26 26 ILE HG21 H 1 0.795 0.030 . 1 . . . . 26 ILE HG2 . 11392 1 215 . 1 1 26 26 ILE HG22 H 1 0.795 0.030 . 1 . . . . 26 ILE HG2 . 11392 1 216 . 1 1 26 26 ILE HG23 H 1 0.795 0.030 . 1 . . . . 26 ILE HG2 . 11392 1 217 . 1 1 26 26 ILE C C 13 178.827 0.300 . 1 . . . . 26 ILE C . 11392 1 218 . 1 1 26 26 ILE CA C 13 64.208 0.300 . 1 . . . . 26 ILE CA . 11392 1 219 . 1 1 26 26 ILE CB C 13 36.987 0.300 . 1 . . . . 26 ILE CB . 11392 1 220 . 1 1 26 26 ILE CD1 C 13 12.437 0.300 . 1 . . . . 26 ILE CD1 . 11392 1 221 . 1 1 26 26 ILE CG1 C 13 28.444 0.300 . 1 . . . . 26 ILE CG1 . 11392 1 222 . 1 1 26 26 ILE CG2 C 13 17.113 0.300 . 1 . . . . 26 ILE CG2 . 11392 1 223 . 1 1 26 26 ILE N N 15 121.108 0.300 . 1 . . . . 26 ILE N . 11392 1 224 . 1 1 27 27 GLY H H 1 8.485 0.030 . 1 . . . . 27 GLY H . 11392 1 225 . 1 1 27 27 GLY HA2 H 1 3.699 0.030 . 2 . . . . 27 GLY HA2 . 11392 1 226 . 1 1 27 27 GLY HA3 H 1 3.913 0.030 . 2 . . . . 27 GLY HA3 . 11392 1 227 . 1 1 27 27 GLY C C 13 176.815 0.300 . 1 . . . . 27 GLY C . 11392 1 228 . 1 1 27 27 GLY CA C 13 46.759 0.300 . 1 . . . . 27 GLY CA . 11392 1 229 . 1 1 27 27 GLY N N 15 109.264 0.300 . 1 . . . . 27 GLY N . 11392 1 230 . 1 1 28 28 LEU H H 1 7.163 0.030 . 1 . . . . 28 LEU H . 11392 1 231 . 1 1 28 28 LEU HA H 1 3.223 0.030 . 1 . . . . 28 LEU HA . 11392 1 232 . 1 1 28 28 LEU HB2 H 1 1.821 0.030 . 2 . . . . 28 LEU HB2 . 11392 1 233 . 1 1 28 28 LEU HB3 H 1 1.460 0.030 . 2 . . . . 28 LEU HB3 . 11392 1 234 . 1 1 28 28 LEU HD11 H 1 0.982 0.030 . 1 . . . . 28 LEU HD1 . 11392 1 235 . 1 1 28 28 LEU HD12 H 1 0.982 0.030 . 1 . . . . 28 LEU HD1 . 11392 1 236 . 1 1 28 28 LEU HD13 H 1 0.982 0.030 . 1 . . . . 28 LEU HD1 . 11392 1 237 . 1 1 28 28 LEU HD21 H 1 1.063 0.030 . 1 . . . . 28 LEU HD2 . 11392 1 238 . 1 1 28 28 LEU HD22 H 1 1.063 0.030 . 1 . . . . 28 LEU HD2 . 11392 1 239 . 1 1 28 28 LEU HD23 H 1 1.063 0.030 . 1 . . . . 28 LEU HD2 . 11392 1 240 . 1 1 28 28 LEU HG H 1 1.467 0.030 . 1 . . . . 28 LEU HG . 11392 1 241 . 1 1 28 28 LEU C C 13 177.558 0.300 . 1 . . . . 28 LEU C . 11392 1 242 . 1 1 28 28 LEU CA C 13 57.945 0.300 . 1 . . . . 28 LEU CA . 11392 1 243 . 1 1 28 28 LEU CB C 13 41.066 0.300 . 1 . . . . 28 LEU CB . 11392 1 244 . 1 1 28 28 LEU CD1 C 13 22.442 0.300 . 2 . . . . 28 LEU CD1 . 11392 1 245 . 1 1 28 28 LEU CD2 C 13 26.359 0.300 . 2 . . . . 28 LEU CD2 . 11392 1 246 . 1 1 28 28 LEU CG C 13 27.476 0.300 . 1 . . . . 28 LEU CG . 11392 1 247 . 1 1 28 28 LEU N N 15 122.001 0.300 . 1 . . . . 28 LEU N . 11392 1 248 . 1 1 29 29 ASN H H 1 8.468 0.030 . 1 . . . . 29 ASN H . 11392 1 249 . 1 1 29 29 ASN HA H 1 4.253 0.030 . 1 . . . . 29 ASN HA . 11392 1 250 . 1 1 29 29 ASN HB2 H 1 2.681 0.030 . 2 . . . . 29 ASN HB2 . 11392 1 251 . 1 1 29 29 ASN HB3 H 1 2.800 0.030 . 2 . . . . 29 ASN HB3 . 11392 1 252 . 1 1 29 29 ASN HD21 H 1 6.809 0.030 . 2 . . . . 29 ASN HD21 . 11392 1 253 . 1 1 29 29 ASN HD22 H 1 7.499 0.030 . 2 . . . . 29 ASN HD22 . 11392 1 254 . 1 1 29 29 ASN C C 13 178.377 0.300 . 1 . . . . 29 ASN C . 11392 1 255 . 1 1 29 29 ASN CA C 13 56.448 0.300 . 1 . . . . 29 ASN CA . 11392 1 256 . 1 1 29 29 ASN CB C 13 37.892 0.300 . 1 . . . . 29 ASN CB . 11392 1 257 . 1 1 29 29 ASN N N 15 118.313 0.300 . 1 . . . . 29 ASN N . 11392 1 258 . 1 1 29 29 ASN ND2 N 15 111.464 0.300 . 1 . . . . 29 ASN ND2 . 11392 1 259 . 1 1 30 30 GLN H H 1 8.131 0.030 . 1 . . . . 30 GLN H . 11392 1 260 . 1 1 30 30 GLN HA H 1 3.951 0.030 . 1 . . . . 30 GLN HA . 11392 1 261 . 1 1 30 30 GLN HB2 H 1 2.013 0.030 . 2 . . . . 30 GLN HB2 . 11392 1 262 . 1 1 30 30 GLN HB3 H 1 2.094 0.030 . 2 . . . . 30 GLN HB3 . 11392 1 263 . 1 1 30 30 GLN HE21 H 1 7.361 0.030 . 2 . . . . 30 GLN HE21 . 11392 1 264 . 1 1 30 30 GLN HE22 H 1 6.811 0.030 . 2 . . . . 30 GLN HE22 . 11392 1 265 . 1 1 30 30 GLN HG2 H 1 2.344 0.030 . 2 . . . . 30 GLN HG2 . 11392 1 266 . 1 1 30 30 GLN HG3 H 1 2.482 0.030 . 2 . . . . 30 GLN HG3 . 11392 1 267 . 1 1 30 30 GLN C C 13 178.614 0.300 . 1 . . . . 30 GLN C . 11392 1 268 . 1 1 30 30 GLN CA C 13 58.693 0.300 . 1 . . . . 30 GLN CA . 11392 1 269 . 1 1 30 30 GLN CB C 13 28.306 0.300 . 1 . . . . 30 GLN CB . 11392 1 270 . 1 1 30 30 GLN CG C 13 33.915 0.300 . 1 . . . . 30 GLN CG . 11392 1 271 . 1 1 30 30 GLN N N 15 118.416 0.300 . 1 . . . . 30 GLN N . 11392 1 272 . 1 1 30 30 GLN NE2 N 15 111.483 0.300 . 1 . . . . 30 GLN NE2 . 11392 1 273 . 1 1 31 31 HIS H H 1 7.503 0.030 . 1 . . . . 31 HIS H . 11392 1 274 . 1 1 31 31 HIS HA H 1 4.193 0.030 . 1 . . . . 31 HIS HA . 11392 1 275 . 1 1 31 31 HIS HB2 H 1 2.978 0.030 . 2 . . . . 31 HIS HB2 . 11392 1 276 . 1 1 31 31 HIS HB3 H 1 2.798 0.030 . 2 . . . . 31 HIS HB3 . 11392 1 277 . 1 1 31 31 HIS HD2 H 1 6.914 0.030 . 1 . . . . 31 HIS HD2 . 11392 1 278 . 1 1 31 31 HIS HE1 H 1 8.039 0.030 . 1 . . . . 31 HIS HE1 . 11392 1 279 . 1 1 31 31 HIS C C 13 176.482 0.300 . 1 . . . . 31 HIS C . 11392 1 280 . 1 1 31 31 HIS CA C 13 59.017 0.300 . 1 . . . . 31 HIS CA . 11392 1 281 . 1 1 31 31 HIS CB C 13 28.691 0.300 . 1 . . . . 31 HIS CB . 11392 1 282 . 1 1 31 31 HIS CD2 C 13 127.420 0.300 . 1 . . . . 31 HIS CD2 . 11392 1 283 . 1 1 31 31 HIS CE1 C 13 139.576 0.300 . 1 . . . . 31 HIS CE1 . 11392 1 284 . 1 1 31 31 HIS N N 15 119.307 0.300 . 1 . . . . 31 HIS N . 11392 1 285 . 1 1 32 32 ARG H H 1 8.390 0.030 . 1 . . . . 32 ARG H . 11392 1 286 . 1 1 32 32 ARG HA H 1 3.596 0.030 . 1 . . . . 32 ARG HA . 11392 1 287 . 1 1 32 32 ARG HB2 H 1 2.099 0.030 . 2 . . . . 32 ARG HB2 . 11392 1 288 . 1 1 32 32 ARG HB3 H 1 1.901 0.030 . 2 . . . . 32 ARG HB3 . 11392 1 289 . 1 1 32 32 ARG HD2 H 1 3.338 0.030 . 2 . . . . 32 ARG HD2 . 11392 1 290 . 1 1 32 32 ARG HD3 H 1 3.651 0.030 . 2 . . . . 32 ARG HD3 . 11392 1 291 . 1 1 32 32 ARG HG2 H 1 2.229 0.030 . 1 . . . . 32 ARG HG2 . 11392 1 292 . 1 1 32 32 ARG HG3 H 1 2.229 0.030 . 1 . . . . 32 ARG HG3 . 11392 1 293 . 1 1 32 32 ARG C C 13 177.276 0.300 . 1 . . . . 32 ARG C . 11392 1 294 . 1 1 32 32 ARG CA C 13 60.194 0.300 . 1 . . . . 32 ARG CA . 11392 1 295 . 1 1 32 32 ARG CB C 13 28.932 0.300 . 1 . . . . 32 ARG CB . 11392 1 296 . 1 1 32 32 ARG CD C 13 42.694 0.300 . 1 . . . . 32 ARG CD . 11392 1 297 . 1 1 32 32 ARG CG C 13 28.809 0.300 . 1 . . . . 32 ARG CG . 11392 1 298 . 1 1 32 32 ARG N N 15 115.060 0.300 . 1 . . . . 32 ARG N . 11392 1 299 . 1 1 33 33 ARG H H 1 7.012 0.030 . 1 . . . . 33 ARG H . 11392 1 300 . 1 1 33 33 ARG HA H 1 4.117 0.030 . 1 . . . . 33 ARG HA . 11392 1 301 . 1 1 33 33 ARG HB2 H 1 1.858 0.030 . 2 . . . . 33 ARG HB2 . 11392 1 302 . 1 1 33 33 ARG HB3 H 1 1.737 0.030 . 2 . . . . 33 ARG HB3 . 11392 1 303 . 1 1 33 33 ARG HD2 H 1 3.186 0.030 . 1 . . . . 33 ARG HD2 . 11392 1 304 . 1 1 33 33 ARG HD3 H 1 3.186 0.030 . 1 . . . . 33 ARG HD3 . 11392 1 305 . 1 1 33 33 ARG HG2 H 1 1.813 0.030 . 2 . . . . 33 ARG HG2 . 11392 1 306 . 1 1 33 33 ARG HG3 H 1 1.649 0.030 . 2 . . . . 33 ARG HG3 . 11392 1 307 . 1 1 33 33 ARG C C 13 178.416 0.300 . 1 . . . . 33 ARG C . 11392 1 308 . 1 1 33 33 ARG CA C 13 58.631 0.300 . 1 . . . . 33 ARG CA . 11392 1 309 . 1 1 33 33 ARG CB C 13 30.120 0.300 . 1 . . . . 33 ARG CB . 11392 1 310 . 1 1 33 33 ARG CD C 13 43.489 0.300 . 1 . . . . 33 ARG CD . 11392 1 311 . 1 1 33 33 ARG CG C 13 27.395 0.300 . 1 . . . . 33 ARG CG . 11392 1 312 . 1 1 33 33 ARG N N 15 118.231 0.300 . 1 . . . . 33 ARG N . 11392 1 313 . 1 1 34 34 ILE H H 1 7.720 0.030 . 1 . . . . 34 ILE H . 11392 1 314 . 1 1 34 34 ILE HA H 1 3.991 0.030 . 1 . . . . 34 ILE HA . 11392 1 315 . 1 1 34 34 ILE HB H 1 1.664 0.030 . 1 . . . . 34 ILE HB . 11392 1 316 . 1 1 34 34 ILE HD11 H 1 0.682 0.030 . 1 . . . . 34 ILE HD1 . 11392 1 317 . 1 1 34 34 ILE HD12 H 1 0.682 0.030 . 1 . . . . 34 ILE HD1 . 11392 1 318 . 1 1 34 34 ILE HD13 H 1 0.682 0.030 . 1 . . . . 34 ILE HD1 . 11392 1 319 . 1 1 34 34 ILE HG12 H 1 0.899 0.030 . 2 . . . . 34 ILE HG12 . 11392 1 320 . 1 1 34 34 ILE HG13 H 1 0.660 0.030 . 2 . . . . 34 ILE HG13 . 11392 1 321 . 1 1 34 34 ILE HG21 H 1 0.536 0.030 . 1 . . . . 34 ILE HG2 . 11392 1 322 . 1 1 34 34 ILE HG22 H 1 0.536 0.030 . 1 . . . . 34 ILE HG2 . 11392 1 323 . 1 1 34 34 ILE HG23 H 1 0.536 0.030 . 1 . . . . 34 ILE HG2 . 11392 1 324 . 1 1 34 34 ILE C C 13 177.077 0.300 . 1 . . . . 34 ILE C . 11392 1 325 . 1 1 34 34 ILE CA C 13 63.051 0.300 . 1 . . . . 34 ILE CA . 11392 1 326 . 1 1 34 34 ILE CB C 13 37.763 0.300 . 1 . . . . 34 ILE CB . 11392 1 327 . 1 1 34 34 ILE CD1 C 13 14.471 0.300 . 1 . . . . 34 ILE CD1 . 11392 1 328 . 1 1 34 34 ILE CG1 C 13 26.566 0.300 . 1 . . . . 34 ILE CG1 . 11392 1 329 . 1 1 34 34 ILE CG2 C 13 16.479 0.300 . 1 . . . . 34 ILE CG2 . 11392 1 330 . 1 1 34 34 ILE N N 15 115.293 0.300 . 1 . . . . 34 ILE N . 11392 1 331 . 1 1 35 35 HIS H H 1 7.345 0.030 . 1 . . . . 35 HIS H . 11392 1 332 . 1 1 35 35 HIS HA H 1 4.852 0.030 . 1 . . . . 35 HIS HA . 11392 1 333 . 1 1 35 35 HIS HB2 H 1 3.276 0.030 . 2 . . . . 35 HIS HB2 . 11392 1 334 . 1 1 35 35 HIS HB3 H 1 3.097 0.030 . 2 . . . . 35 HIS HB3 . 11392 1 335 . 1 1 35 35 HIS HD2 H 1 6.717 0.030 . 1 . . . . 35 HIS HD2 . 11392 1 336 . 1 1 35 35 HIS HE1 H 1 8.039 0.030 . 1 . . . . 35 HIS HE1 . 11392 1 337 . 1 1 35 35 HIS C C 13 175.780 0.300 . 1 . . . . 35 HIS C . 11392 1 338 . 1 1 35 35 HIS CA C 13 55.234 0.300 . 1 . . . . 35 HIS CA . 11392 1 339 . 1 1 35 35 HIS CB C 13 28.772 0.300 . 1 . . . . 35 HIS CB . 11392 1 340 . 1 1 35 35 HIS CD2 C 13 128.070 0.300 . 1 . . . . 35 HIS CD2 . 11392 1 341 . 1 1 35 35 HIS CE1 C 13 139.987 0.300 . 1 . . . . 35 HIS CE1 . 11392 1 342 . 1 1 35 35 HIS N N 15 117.929 0.300 . 1 . . . . 35 HIS N . 11392 1 343 . 1 1 36 36 THR H H 1 7.767 0.030 . 1 . . . . 36 THR H . 11392 1 344 . 1 1 36 36 THR HA H 1 4.336 0.030 . 1 . . . . 36 THR HA . 11392 1 345 . 1 1 36 36 THR HB H 1 4.321 0.030 . 1 . . . . 36 THR HB . 11392 1 346 . 1 1 36 36 THR HG21 H 1 1.221 0.030 . 1 . . . . 36 THR HG2 . 11392 1 347 . 1 1 36 36 THR HG22 H 1 1.221 0.030 . 1 . . . . 36 THR HG2 . 11392 1 348 . 1 1 36 36 THR HG23 H 1 1.221 0.030 . 1 . . . . 36 THR HG2 . 11392 1 349 . 1 1 36 36 THR C C 13 175.469 0.300 . 1 . . . . 36 THR C . 11392 1 350 . 1 1 36 36 THR CA C 13 62.428 0.300 . 1 . . . . 36 THR CA . 11392 1 351 . 1 1 36 36 THR CB C 13 69.820 0.300 . 1 . . . . 36 THR CB . 11392 1 352 . 1 1 36 36 THR CG2 C 13 21.434 0.300 . 1 . . . . 36 THR CG2 . 11392 1 353 . 1 1 36 36 THR N N 15 111.448 0.300 . 1 . . . . 36 THR N . 11392 1 354 . 1 1 37 37 GLY H H 1 8.213 0.030 . 1 . . . . 37 GLY H . 11392 1 355 . 1 1 37 37 GLY HA2 H 1 4.025 0.030 . 2 . . . . 37 GLY HA2 . 11392 1 356 . 1 1 37 37 GLY HA3 H 1 3.926 0.030 . 2 . . . . 37 GLY HA3 . 11392 1 357 . 1 1 37 37 GLY C C 13 174.002 0.300 . 1 . . . . 37 GLY C . 11392 1 358 . 1 1 37 37 GLY CA C 13 45.354 0.300 . 1 . . . . 37 GLY CA . 11392 1 359 . 1 1 37 37 GLY N N 15 110.746 0.300 . 1 . . . . 37 GLY N . 11392 1 360 . 1 1 38 38 GLU H H 1 8.061 0.030 . 1 . . . . 38 GLU H . 11392 1 361 . 1 1 38 38 GLU HA H 1 4.224 0.030 . 1 . . . . 38 GLU HA . 11392 1 362 . 1 1 38 38 GLU HB2 H 1 1.888 0.030 . 2 . . . . 38 GLU HB2 . 11392 1 363 . 1 1 38 38 GLU HB3 H 1 1.980 0.030 . 2 . . . . 38 GLU HB3 . 11392 1 364 . 1 1 38 38 GLU HG2 H 1 2.197 0.030 . 2 . . . . 38 GLU HG2 . 11392 1 365 . 1 1 38 38 GLU HG3 H 1 2.251 0.030 . 2 . . . . 38 GLU HG3 . 11392 1 366 . 1 1 38 38 GLU C C 13 176.156 0.300 . 1 . . . . 38 GLU C . 11392 1 367 . 1 1 38 38 GLU CA C 13 56.461 0.300 . 1 . . . . 38 GLU CA . 11392 1 368 . 1 1 38 38 GLU CB C 13 30.590 0.300 . 1 . . . . 38 GLU CB . 11392 1 369 . 1 1 38 38 GLU CG C 13 36.323 0.300 . 1 . . . . 38 GLU CG . 11392 1 370 . 1 1 38 38 GLU N N 15 120.539 0.300 . 1 . . . . 38 GLU N . 11392 1 371 . 1 1 39 39 LYS H H 1 8.381 0.030 . 1 . . . . 39 LYS H . 11392 1 372 . 1 1 39 39 LYS HA H 1 4.599 0.030 . 1 . . . . 39 LYS HA . 11392 1 373 . 1 1 39 39 LYS HB2 H 1 1.714 0.030 . 2 . . . . 39 LYS HB2 . 11392 1 374 . 1 1 39 39 LYS HB3 H 1 1.803 0.030 . 2 . . . . 39 LYS HB3 . 11392 1 375 . 1 1 39 39 LYS HD2 H 1 1.679 0.030 . 1 . . . . 39 LYS HD2 . 11392 1 376 . 1 1 39 39 LYS HD3 H 1 1.679 0.030 . 1 . . . . 39 LYS HD3 . 11392 1 377 . 1 1 39 39 LYS HE2 H 1 2.985 0.030 . 1 . . . . 39 LYS HE2 . 11392 1 378 . 1 1 39 39 LYS HE3 H 1 2.985 0.030 . 1 . . . . 39 LYS HE3 . 11392 1 379 . 1 1 39 39 LYS HG2 H 1 1.458 0.030 . 1 . . . . 39 LYS HG2 . 11392 1 380 . 1 1 39 39 LYS HG3 H 1 1.458 0.030 . 1 . . . . 39 LYS HG3 . 11392 1 381 . 1 1 39 39 LYS C C 13 174.435 0.300 . 1 . . . . 39 LYS C . 11392 1 382 . 1 1 39 39 LYS CA C 13 54.148 0.300 . 1 . . . . 39 LYS CA . 11392 1 383 . 1 1 39 39 LYS CB C 13 32.521 0.300 . 1 . . . . 39 LYS CB . 11392 1 384 . 1 1 39 39 LYS CD C 13 29.105 0.300 . 1 . . . . 39 LYS CD . 11392 1 385 . 1 1 39 39 LYS CE C 13 42.142 0.300 . 1 . . . . 39 LYS CE . 11392 1 386 . 1 1 39 39 LYS CG C 13 24.479 0.300 . 1 . . . . 39 LYS CG . 11392 1 387 . 1 1 39 39 LYS N N 15 123.719 0.300 . 1 . . . . 39 LYS N . 11392 1 388 . 1 1 40 40 PRO HA H 1 4.451 0.030 . 1 . . . . 40 PRO HA . 11392 1 389 . 1 1 40 40 PRO HB2 H 1 2.294 0.030 . 2 . . . . 40 PRO HB2 . 11392 1 390 . 1 1 40 40 PRO HB3 H 1 1.934 0.030 . 2 . . . . 40 PRO HB3 . 11392 1 391 . 1 1 40 40 PRO HD2 H 1 3.802 0.030 . 2 . . . . 40 PRO HD2 . 11392 1 392 . 1 1 40 40 PRO HD3 H 1 3.636 0.030 . 2 . . . . 40 PRO HD3 . 11392 1 393 . 1 1 40 40 PRO HG2 H 1 2.025 0.030 . 2 . . . . 40 PRO HG2 . 11392 1 394 . 1 1 40 40 PRO HG3 H 1 1.982 0.030 . 2 . . . . 40 PRO HG3 . 11392 1 395 . 1 1 40 40 PRO CA C 13 63.176 0.300 . 1 . . . . 40 PRO CA . 11392 1 396 . 1 1 40 40 PRO CB C 13 32.174 0.300 . 1 . . . . 40 PRO CB . 11392 1 397 . 1 1 40 40 PRO CD C 13 50.670 0.300 . 1 . . . . 40 PRO CD . 11392 1 398 . 1 1 40 40 PRO CG C 13 27.363 0.300 . 1 . . . . 40 PRO CG . 11392 1 399 . 1 1 41 41 SER H H 1 8.441 0.030 . 1 . . . . 41 SER H . 11392 1 400 . 1 1 41 41 SER HA H 1 4.458 0.030 . 1 . . . . 41 SER HA . 11392 1 401 . 1 1 41 41 SER HB2 H 1 3.882 0.030 . 1 . . . . 41 SER HB2 . 11392 1 402 . 1 1 41 41 SER HB3 H 1 3.882 0.030 . 1 . . . . 41 SER HB3 . 11392 1 403 . 1 1 41 41 SER CA C 13 58.339 0.300 . 1 . . . . 41 SER CA . 11392 1 404 . 1 1 41 41 SER CB C 13 63.907 0.300 . 1 . . . . 41 SER CB . 11392 1 405 . 1 1 41 41 SER N N 15 116.448 0.300 . 1 . . . . 41 SER N . 11392 1 stop_ save_