################################### # 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 10177 _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 10177 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10177 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 45.453 0.300 . 1 . . . . 7 GLY CA . 10177 1 2 . 1 1 7 7 GLY HA2 H 1 4.042 0.030 . 1 . . . . 7 GLY HA2 . 10177 1 3 . 1 1 7 7 GLY HA3 H 1 4.042 0.030 . 1 . . . . 7 GLY HA3 . 10177 1 4 . 1 1 7 7 GLY C C 13 174.573 0.300 . 1 . . . . 7 GLY C . 10177 1 5 . 1 1 8 8 THR N N 15 112.804 0.300 . 1 . . . . 8 THR N . 10177 1 6 . 1 1 8 8 THR H H 1 8.143 0.030 . 1 . . . . 8 THR H . 10177 1 7 . 1 1 8 8 THR CA C 13 62.075 0.300 . 1 . . . . 8 THR CA . 10177 1 8 . 1 1 8 8 THR HA H 1 4.367 0.030 . 1 . . . . 8 THR HA . 10177 1 9 . 1 1 8 8 THR CB C 13 69.768 0.300 . 1 . . . . 8 THR CB . 10177 1 10 . 1 1 8 8 THR HB H 1 4.298 0.030 . 1 . . . . 8 THR HB . 10177 1 11 . 1 1 8 8 THR CG2 C 13 21.510 0.300 . 1 . . . . 8 THR CG2 . 10177 1 12 . 1 1 8 8 THR HG21 H 1 1.181 0.030 . 1 . . . . 8 THR HG2 . 10177 1 13 . 1 1 8 8 THR HG22 H 1 1.181 0.030 . 1 . . . . 8 THR HG2 . 10177 1 14 . 1 1 8 8 THR HG23 H 1 1.181 0.030 . 1 . . . . 8 THR HG2 . 10177 1 15 . 1 1 8 8 THR C C 13 175.337 0.300 . 1 . . . . 8 THR C . 10177 1 16 . 1 1 9 9 GLY N N 15 110.991 0.300 . 1 . . . . 9 GLY N . 10177 1 17 . 1 1 9 9 GLY H H 1 8.462 0.030 . 1 . . . . 9 GLY H . 10177 1 18 . 1 1 9 9 GLY CA C 13 45.399 0.300 . 1 . . . . 9 GLY CA . 10177 1 19 . 1 1 9 9 GLY HA2 H 1 4.023 0.030 . 2 . . . . 9 GLY HA2 . 10177 1 20 . 1 1 9 9 GLY HA3 H 1 3.951 0.030 . 2 . . . . 9 GLY HA3 . 10177 1 21 . 1 1 9 9 GLY C C 13 174.073 0.300 . 1 . . . . 9 GLY C . 10177 1 22 . 1 1 10 10 GLU N N 15 120.581 0.300 . 1 . . . . 10 GLU N . 10177 1 23 . 1 1 10 10 GLU H H 1 8.079 0.030 . 1 . . . . 10 GLU H . 10177 1 24 . 1 1 10 10 GLU CA C 13 56.456 0.300 . 1 . . . . 10 GLU CA . 10177 1 25 . 1 1 10 10 GLU HA H 1 4.242 0.030 . 1 . . . . 10 GLU HA . 10177 1 26 . 1 1 10 10 GLU CB C 13 30.527 0.300 . 1 . . . . 10 GLU CB . 10177 1 27 . 1 1 10 10 GLU HB2 H 1 1.902 0.030 . 2 . . . . 10 GLU HB2 . 10177 1 28 . 1 1 10 10 GLU HB3 H 1 1.989 0.030 . 2 . . . . 10 GLU HB3 . 10177 1 29 . 1 1 10 10 GLU CG C 13 36.291 0.300 . 1 . . . . 10 GLU CG . 10177 1 30 . 1 1 10 10 GLU HG2 H 1 2.258 0.030 . 2 . . . . 10 GLU HG2 . 10177 1 31 . 1 1 10 10 GLU HG3 H 1 2.206 0.030 . 2 . . . . 10 GLU HG3 . 10177 1 32 . 1 1 10 10 GLU C C 13 176.271 0.300 . 1 . . . . 10 GLU C . 10177 1 33 . 1 1 11 11 ARG N N 15 122.007 0.300 . 1 . . . . 11 ARG N . 10177 1 34 . 1 1 11 11 ARG H H 1 8.340 0.030 . 1 . . . . 11 ARG H . 10177 1 35 . 1 1 11 11 ARG CA C 13 55.538 0.300 . 1 . . . . 11 ARG CA . 10177 1 36 . 1 1 11 11 ARG HA H 1 4.226 0.030 . 1 . . . . 11 ARG HA . 10177 1 37 . 1 1 11 11 ARG CB C 13 30.611 0.300 . 1 . . . . 11 ARG CB . 10177 1 38 . 1 1 11 11 ARG HB2 H 1 1.634 0.030 . 1 . . . . 11 ARG HB2 . 10177 1 39 . 1 1 11 11 ARG HB3 H 1 1.634 0.030 . 1 . . . . 11 ARG HB3 . 10177 1 40 . 1 1 11 11 ARG CG C 13 26.937 0.300 . 1 . . . . 11 ARG CG . 10177 1 41 . 1 1 11 11 ARG HG2 H 1 1.482 0.030 . 2 . . . . 11 ARG HG2 . 10177 1 42 . 1 1 11 11 ARG HG3 H 1 1.436 0.030 . 2 . . . . 11 ARG HG3 . 10177 1 43 . 1 1 11 11 ARG CD C 13 43.333 0.300 . 1 . . . . 11 ARG CD . 10177 1 44 . 1 1 11 11 ARG HD2 H 1 3.109 0.030 . 1 . . . . 11 ARG HD2 . 10177 1 45 . 1 1 11 11 ARG HD3 H 1 3.109 0.030 . 1 . . . . 11 ARG HD3 . 10177 1 46 . 1 1 11 11 ARG C C 13 174.992 0.300 . 1 . . . . 11 ARG C . 10177 1 47 . 1 1 12 12 HIS N N 15 119.313 0.300 . 1 . . . . 12 HIS N . 10177 1 48 . 1 1 12 12 HIS H H 1 7.928 0.030 . 1 . . . . 12 HIS H . 10177 1 49 . 1 1 12 12 HIS CA C 13 55.443 0.300 . 1 . . . . 12 HIS CA . 10177 1 50 . 1 1 12 12 HIS HA H 1 4.611 0.030 . 1 . . . . 12 HIS HA . 10177 1 51 . 1 1 12 12 HIS CB C 13 31.542 0.300 . 1 . . . . 12 HIS CB . 10177 1 52 . 1 1 12 12 HIS HB2 H 1 2.884 0.030 . 2 . . . . 12 HIS HB2 . 10177 1 53 . 1 1 12 12 HIS HB3 H 1 2.835 0.030 . 2 . . . . 12 HIS HB3 . 10177 1 54 . 1 1 12 12 HIS CD2 C 13 119.192 0.300 . 1 . . . . 12 HIS CD2 . 10177 1 55 . 1 1 12 12 HIS HD2 H 1 6.800 0.030 . 1 . . . . 12 HIS HD2 . 10177 1 56 . 1 1 12 12 HIS CE1 C 13 137.944 0.300 . 1 . . . . 12 HIS CE1 . 10177 1 57 . 1 1 12 12 HIS HE1 H 1 7.928 0.030 . 1 . . . . 12 HIS HE1 . 10177 1 58 . 1 1 12 12 HIS C C 13 173.859 0.300 . 1 . . . . 12 HIS C . 10177 1 59 . 1 1 13 13 TYR N N 15 120.629 0.300 . 1 . . . . 13 TYR N . 10177 1 60 . 1 1 13 13 TYR H H 1 8.698 0.030 . 1 . . . . 13 TYR H . 10177 1 61 . 1 1 13 13 TYR CA C 13 57.583 0.300 . 1 . . . . 13 TYR CA . 10177 1 62 . 1 1 13 13 TYR HA H 1 4.619 0.030 . 1 . . . . 13 TYR HA . 10177 1 63 . 1 1 13 13 TYR CB C 13 39.470 0.300 . 1 . . . . 13 TYR CB . 10177 1 64 . 1 1 13 13 TYR HB2 H 1 2.756 0.030 . 2 . . . . 13 TYR HB2 . 10177 1 65 . 1 1 13 13 TYR HB3 H 1 3.003 0.030 . 2 . . . . 13 TYR HB3 . 10177 1 66 . 1 1 13 13 TYR CD1 C 13 133.306 0.300 . 1 . . . . 13 TYR CD1 . 10177 1 67 . 1 1 13 13 TYR HD1 H 1 7.009 0.030 . 1 . . . . 13 TYR HD1 . 10177 1 68 . 1 1 13 13 TYR CD2 C 13 133.306 0.300 . 1 . . . . 13 TYR CD2 . 10177 1 69 . 1 1 13 13 TYR HD2 H 1 7.009 0.030 . 1 . . . . 13 TYR HD2 . 10177 1 70 . 1 1 13 13 TYR CE1 C 13 118.245 0.300 . 1 . . . . 13 TYR CE1 . 10177 1 71 . 1 1 13 13 TYR HE1 H 1 6.842 0.030 . 1 . . . . 13 TYR HE1 . 10177 1 72 . 1 1 13 13 TYR CE2 C 13 118.245 0.300 . 1 . . . . 13 TYR CE2 . 10177 1 73 . 1 1 13 13 TYR HE2 H 1 6.842 0.030 . 1 . . . . 13 TYR HE2 . 10177 1 74 . 1 1 13 13 TYR C C 13 174.783 0.300 . 1 . . . . 13 TYR C . 10177 1 75 . 1 1 14 14 GLU N N 15 123.865 0.300 . 1 . . . . 14 GLU N . 10177 1 76 . 1 1 14 14 GLU H H 1 8.733 0.030 . 1 . . . . 14 GLU H . 10177 1 77 . 1 1 14 14 GLU CA C 13 55.094 0.300 . 1 . . . . 14 GLU CA . 10177 1 78 . 1 1 14 14 GLU HA H 1 4.934 0.030 . 1 . . . . 14 GLU HA . 10177 1 79 . 1 1 14 14 GLU CB C 13 32.824 0.300 . 1 . . . . 14 GLU CB . 10177 1 80 . 1 1 14 14 GLU HB2 H 1 1.820 0.030 . 1 . . . . 14 GLU HB2 . 10177 1 81 . 1 1 14 14 GLU HB3 H 1 1.820 0.030 . 1 . . . . 14 GLU HB3 . 10177 1 82 . 1 1 14 14 GLU CG C 13 36.685 0.300 . 1 . . . . 14 GLU CG . 10177 1 83 . 1 1 14 14 GLU HG2 H 1 1.993 0.030 . 2 . . . . 14 GLU HG2 . 10177 1 84 . 1 1 14 14 GLU HG3 H 1 1.961 0.030 . 2 . . . . 14 GLU HG3 . 10177 1 85 . 1 1 14 14 GLU C C 13 175.407 0.300 . 1 . . . . 14 GLU C . 10177 1 86 . 1 1 15 15 CYS N N 15 126.550 0.300 . 1 . . . . 15 CYS N . 10177 1 87 . 1 1 15 15 CYS H H 1 9.243 0.030 . 1 . . . . 15 CYS H . 10177 1 88 . 1 1 15 15 CYS CA C 13 59.494 0.300 . 1 . . . . 15 CYS CA . 10177 1 89 . 1 1 15 15 CYS HA H 1 4.591 0.030 . 1 . . . . 15 CYS HA . 10177 1 90 . 1 1 15 15 CYS CB C 13 29.721 0.300 . 1 . . . . 15 CYS CB . 10177 1 91 . 1 1 15 15 CYS HB2 H 1 3.426 0.030 . 2 . . . . 15 CYS HB2 . 10177 1 92 . 1 1 15 15 CYS HB3 H 1 2.889 0.030 . 2 . . . . 15 CYS HB3 . 10177 1 93 . 1 1 15 15 CYS C C 13 177.448 0.300 . 1 . . . . 15 CYS C . 10177 1 94 . 1 1 16 16 SER CA C 13 60.991 0.300 . 1 . . . . 16 SER CA . 10177 1 95 . 1 1 16 16 SER HA H 1 4.281 0.030 . 1 . . . . 16 SER HA . 10177 1 96 . 1 1 16 16 SER CB C 13 63.004 0.300 . 1 . . . . 16 SER CB . 10177 1 97 . 1 1 16 16 SER HB2 H 1 4.051 0.030 . 2 . . . . 16 SER HB2 . 10177 1 98 . 1 1 16 16 SER HB3 H 1 4.001 0.030 . 2 . . . . 16 SER HB3 . 10177 1 99 . 1 1 16 16 SER C C 13 174.576 0.300 . 1 . . . . 16 SER C . 10177 1 100 . 1 1 17 17 GLU N N 15 122.766 0.300 . 1 . . . . 17 GLU N . 10177 1 101 . 1 1 17 17 GLU H H 1 8.641 0.030 . 1 . . . . 17 GLU H . 10177 1 102 . 1 1 17 17 GLU CA C 13 58.039 0.300 . 1 . . . . 17 GLU CA . 10177 1 103 . 1 1 17 17 GLU HA H 1 4.246 0.030 . 1 . . . . 17 GLU HA . 10177 1 104 . 1 1 17 17 GLU CB C 13 29.583 0.300 . 1 . . . . 17 GLU CB . 10177 1 105 . 1 1 17 17 GLU HB2 H 1 1.330 0.030 . 1 . . . . 17 GLU HB2 . 10177 1 106 . 1 1 17 17 GLU HB3 H 1 1.330 0.030 . 1 . . . . 17 GLU HB3 . 10177 1 107 . 1 1 17 17 GLU CG C 13 35.734 0.300 . 1 . . . . 17 GLU CG . 10177 1 108 . 1 1 17 17 GLU HG2 H 1 1.893 0.030 . 2 . . . . 17 GLU HG2 . 10177 1 109 . 1 1 17 17 GLU HG3 H 1 1.797 0.030 . 2 . . . . 17 GLU HG3 . 10177 1 110 . 1 1 17 17 GLU C C 13 177.145 0.300 . 1 . . . . 17 GLU C . 10177 1 111 . 1 1 18 18 CYS N N 15 114.540 0.300 . 1 . . . . 18 CYS N . 10177 1 112 . 1 1 18 18 CYS H H 1 7.881 0.030 . 1 . . . . 18 CYS H . 10177 1 113 . 1 1 18 18 CYS CA C 13 58.403 0.300 . 1 . . . . 18 CYS CA . 10177 1 114 . 1 1 18 18 CYS HA H 1 5.164 0.030 . 1 . . . . 18 CYS HA . 10177 1 115 . 1 1 18 18 CYS CB C 13 32.532 0.300 . 1 . . . . 18 CYS CB . 10177 1 116 . 1 1 18 18 CYS HB2 H 1 2.858 0.030 . 2 . . . . 18 CYS HB2 . 10177 1 117 . 1 1 18 18 CYS HB3 H 1 3.442 0.030 . 2 . . . . 18 CYS HB3 . 10177 1 118 . 1 1 18 18 CYS C C 13 176.314 0.300 . 1 . . . . 18 CYS C . 10177 1 119 . 1 1 19 19 GLY N N 15 113.441 0.300 . 1 . . . . 19 GLY N . 10177 1 120 . 1 1 19 19 GLY H H 1 8.210 0.030 . 1 . . . . 19 GLY H . 10177 1 121 . 1 1 19 19 GLY CA C 13 46.213 0.300 . 1 . . . . 19 GLY CA . 10177 1 122 . 1 1 19 19 GLY HA2 H 1 3.866 0.030 . 2 . . . . 19 GLY HA2 . 10177 1 123 . 1 1 19 19 GLY HA3 H 1 4.209 0.030 . 2 . . . . 19 GLY HA3 . 10177 1 124 . 1 1 19 19 GLY C C 13 173.754 0.300 . 1 . . . . 19 GLY C . 10177 1 125 . 1 1 20 20 LYS N N 15 122.503 0.300 . 1 . . . . 20 LYS N . 10177 1 126 . 1 1 20 20 LYS H H 1 7.874 0.030 . 1 . . . . 20 LYS H . 10177 1 127 . 1 1 20 20 LYS CA C 13 57.935 0.300 . 1 . . . . 20 LYS CA . 10177 1 128 . 1 1 20 20 LYS HA H 1 3.953 0.030 . 1 . . . . 20 LYS HA . 10177 1 129 . 1 1 20 20 LYS CB C 13 33.881 0.300 . 1 . . . . 20 LYS CB . 10177 1 130 . 1 1 20 20 LYS HB2 H 1 1.409 0.030 . 2 . . . . 20 LYS HB2 . 10177 1 131 . 1 1 20 20 LYS HB3 H 1 1.214 0.030 . 2 . . . . 20 LYS HB3 . 10177 1 132 . 1 1 20 20 LYS CG C 13 26.267 0.300 . 1 . . . . 20 LYS CG . 10177 1 133 . 1 1 20 20 LYS HG2 H 1 1.117 0.030 . 2 . . . . 20 LYS HG2 . 10177 1 134 . 1 1 20 20 LYS HG3 H 1 1.446 0.030 . 2 . . . . 20 LYS HG3 . 10177 1 135 . 1 1 20 20 LYS CD C 13 29.273 0.300 . 1 . . . . 20 LYS CD . 10177 1 136 . 1 1 20 20 LYS HD2 H 1 1.537 0.030 . 2 . . . . 20 LYS HD2 . 10177 1 137 . 1 1 20 20 LYS HD3 H 1 1.478 0.030 . 2 . . . . 20 LYS HD3 . 10177 1 138 . 1 1 20 20 LYS CE C 13 42.242 0.300 . 1 . . . . 20 LYS CE . 10177 1 139 . 1 1 20 20 LYS HE2 H 1 2.998 0.030 . 2 . . . . 20 LYS HE2 . 10177 1 140 . 1 1 20 20 LYS HE3 H 1 2.940 0.030 . 2 . . . . 20 LYS HE3 . 10177 1 141 . 1 1 20 20 LYS C C 13 173.729 0.300 . 1 . . . . 20 LYS C . 10177 1 142 . 1 1 21 21 ALA N N 15 123.153 0.300 . 1 . . . . 21 ALA N . 10177 1 143 . 1 1 21 21 ALA H H 1 7.808 0.030 . 1 . . . . 21 ALA H . 10177 1 144 . 1 1 21 21 ALA CA C 13 50.379 0.300 . 1 . . . . 21 ALA CA . 10177 1 145 . 1 1 21 21 ALA HA H 1 5.019 0.030 . 1 . . . . 21 ALA HA . 10177 1 146 . 1 1 21 21 ALA CB C 13 21.933 0.300 . 1 . . . . 21 ALA CB . 10177 1 147 . 1 1 21 21 ALA HB1 H 1 1.074 0.030 . 1 . . . . 21 ALA HB . 10177 1 148 . 1 1 21 21 ALA HB2 H 1 1.074 0.030 . 1 . . . . 21 ALA HB . 10177 1 149 . 1 1 21 21 ALA HB3 H 1 1.074 0.030 . 1 . . . . 21 ALA HB . 10177 1 150 . 1 1 21 21 ALA C C 13 176.429 0.300 . 1 . . . . 21 ALA C . 10177 1 151 . 1 1 22 22 PHE N N 15 117.263 0.300 . 1 . . . . 22 PHE N . 10177 1 152 . 1 1 22 22 PHE H H 1 8.627 0.030 . 1 . . . . 22 PHE H . 10177 1 153 . 1 1 22 22 PHE CA C 13 57.115 0.300 . 1 . . . . 22 PHE CA . 10177 1 154 . 1 1 22 22 PHE HA H 1 4.730 0.030 . 1 . . . . 22 PHE HA . 10177 1 155 . 1 1 22 22 PHE CB C 13 43.753 0.300 . 1 . . . . 22 PHE CB . 10177 1 156 . 1 1 22 22 PHE HB2 H 1 3.376 0.030 . 2 . . . . 22 PHE HB2 . 10177 1 157 . 1 1 22 22 PHE HB3 H 1 2.624 0.030 . 2 . . . . 22 PHE HB3 . 10177 1 158 . 1 1 22 22 PHE CD1 C 13 132.540 0.300 . 1 . . . . 22 PHE CD1 . 10177 1 159 . 1 1 22 22 PHE HD1 H 1 7.201 0.030 . 1 . . . . 22 PHE HD1 . 10177 1 160 . 1 1 22 22 PHE CD2 C 13 132.540 0.300 . 1 . . . . 22 PHE CD2 . 10177 1 161 . 1 1 22 22 PHE HD2 H 1 7.201 0.030 . 1 . . . . 22 PHE HD2 . 10177 1 162 . 1 1 22 22 PHE CE1 C 13 130.531 0.300 . 1 . . . . 22 PHE CE1 . 10177 1 163 . 1 1 22 22 PHE HE1 H 1 6.806 0.030 . 1 . . . . 22 PHE HE1 . 10177 1 164 . 1 1 22 22 PHE CE2 C 13 130.531 0.300 . 1 . . . . 22 PHE CE2 . 10177 1 165 . 1 1 22 22 PHE HE2 H 1 6.806 0.030 . 1 . . . . 22 PHE HE2 . 10177 1 166 . 1 1 22 22 PHE CZ C 13 128.605 0.300 . 1 . . . . 22 PHE CZ . 10177 1 167 . 1 1 22 22 PHE HZ H 1 6.139 0.030 . 1 . . . . 22 PHE HZ . 10177 1 168 . 1 1 22 22 PHE C C 13 175.254 0.300 . 1 . . . . 22 PHE C . 10177 1 169 . 1 1 23 23 ALA CA C 13 53.560 0.300 . 1 . . . . 23 ALA CA . 10177 1 170 . 1 1 23 23 ALA HA H 1 4.507 0.030 . 1 . . . . 23 ALA HA . 10177 1 171 . 1 1 23 23 ALA CB C 13 19.794 0.300 . 1 . . . . 23 ALA CB . 10177 1 172 . 1 1 23 23 ALA HB1 H 1 1.562 0.030 . 1 . . . . 23 ALA HB . 10177 1 173 . 1 1 23 23 ALA HB2 H 1 1.562 0.030 . 1 . . . . 23 ALA HB . 10177 1 174 . 1 1 23 23 ALA HB3 H 1 1.562 0.030 . 1 . . . . 23 ALA HB . 10177 1 175 . 1 1 23 23 ALA C C 13 177.450 0.300 . 1 . . . . 23 ALA C . 10177 1 176 . 1 1 24 24 ARG N N 15 113.263 0.300 . 1 . . . . 24 ARG N . 10177 1 177 . 1 1 24 24 ARG H H 1 7.468 0.030 . 1 . . . . 24 ARG H . 10177 1 178 . 1 1 24 24 ARG CA C 13 53.899 0.300 . 1 . . . . 24 ARG CA . 10177 1 179 . 1 1 24 24 ARG HA H 1 4.741 0.030 . 1 . . . . 24 ARG HA . 10177 1 180 . 1 1 24 24 ARG CB C 13 33.416 0.300 . 1 . . . . 24 ARG CB . 10177 1 181 . 1 1 24 24 ARG HB2 H 1 1.980 0.030 . 2 . . . . 24 ARG HB2 . 10177 1 182 . 1 1 24 24 ARG HB3 H 1 1.876 0.030 . 2 . . . . 24 ARG HB3 . 10177 1 183 . 1 1 24 24 ARG CG C 13 27.117 0.300 . 1 . . . . 24 ARG CG . 10177 1 184 . 1 1 24 24 ARG HG2 H 1 1.691 0.030 . 1 . . . . 24 ARG HG2 . 10177 1 185 . 1 1 24 24 ARG HG3 H 1 1.691 0.030 . 1 . . . . 24 ARG HG3 . 10177 1 186 . 1 1 24 24 ARG CD C 13 43.622 0.300 . 1 . . . . 24 ARG CD . 10177 1 187 . 1 1 24 24 ARG HD2 H 1 3.257 0.030 . 2 . . . . 24 ARG HD2 . 10177 1 188 . 1 1 24 24 ARG HD3 H 1 3.198 0.030 . 2 . . . . 24 ARG HD3 . 10177 1 189 . 1 1 24 24 ARG C C 13 175.564 0.300 . 1 . . . . 24 ARG C . 10177 1 190 . 1 1 25 25 LYS CA C 13 59.220 0.300 . 1 . . . . 25 LYS CA . 10177 1 191 . 1 1 25 25 LYS HA H 1 3.118 0.030 . 1 . . . . 25 LYS HA . 10177 1 192 . 1 1 25 25 LYS CB C 13 31.720 0.300 . 1 . . . . 25 LYS CB . 10177 1 193 . 1 1 25 25 LYS HB2 H 1 1.053 0.030 . 2 . . . . 25 LYS HB2 . 10177 1 194 . 1 1 25 25 LYS HB3 H 1 1.525 0.030 . 2 . . . . 25 LYS HB3 . 10177 1 195 . 1 1 25 25 LYS CG C 13 24.920 0.300 . 1 . . . . 25 LYS CG . 10177 1 196 . 1 1 25 25 LYS HG2 H 1 1.036 0.030 . 2 . . . . 25 LYS HG2 . 10177 1 197 . 1 1 25 25 LYS HG3 H 1 1.208 0.030 . 2 . . . . 25 LYS HG3 . 10177 1 198 . 1 1 25 25 LYS CD C 13 29.179 0.300 . 1 . . . . 25 LYS CD . 10177 1 199 . 1 1 25 25 LYS HD2 H 1 1.586 0.030 . 2 . . . . 25 LYS HD2 . 10177 1 200 . 1 1 25 25 LYS HD3 H 1 1.536 0.030 . 2 . . . . 25 LYS HD3 . 10177 1 201 . 1 1 25 25 LYS CE C 13 42.045 0.300 . 1 . . . . 25 LYS CE . 10177 1 202 . 1 1 25 25 LYS HE2 H 1 2.865 0.030 . 2 . . . . 25 LYS HE2 . 10177 1 203 . 1 1 25 25 LYS HE3 H 1 2.911 0.030 . 2 . . . . 25 LYS HE3 . 10177 1 204 . 1 1 25 25 LYS C C 13 178.185 0.300 . 1 . . . . 25 LYS C . 10177 1 205 . 1 1 26 26 SER N N 15 112.513 0.300 . 1 . . . . 26 SER N . 10177 1 206 . 1 1 26 26 SER H H 1 8.477 0.030 . 1 . . . . 26 SER H . 10177 1 207 . 1 1 26 26 SER CA C 13 61.122 0.300 . 1 . . . . 26 SER CA . 10177 1 208 . 1 1 26 26 SER HA H 1 3.915 0.030 . 1 . . . . 26 SER HA . 10177 1 209 . 1 1 26 26 SER CB C 13 61.354 0.300 . 1 . . . . 26 SER CB . 10177 1 210 . 1 1 26 26 SER HB2 H 1 3.841 0.030 . 1 . . . . 26 SER HB2 . 10177 1 211 . 1 1 26 26 SER HB3 H 1 3.841 0.030 . 1 . . . . 26 SER HB3 . 10177 1 212 . 1 1 26 26 SER C C 13 177.077 0.300 . 1 . . . . 26 SER C . 10177 1 213 . 1 1 27 27 THR N N 15 117.989 0.300 . 1 . . . . 27 THR N . 10177 1 214 . 1 1 27 27 THR H H 1 6.929 0.030 . 1 . . . . 27 THR H . 10177 1 215 . 1 1 27 27 THR CA C 13 65.178 0.300 . 1 . . . . 27 THR CA . 10177 1 216 . 1 1 27 27 THR HA H 1 3.875 0.030 . 1 . . . . 27 THR HA . 10177 1 217 . 1 1 27 27 THR CB C 13 67.995 0.300 . 1 . . . . 27 THR CB . 10177 1 218 . 1 1 27 27 THR HB H 1 4.112 0.030 . 1 . . . . 27 THR HB . 10177 1 219 . 1 1 27 27 THR CG2 C 13 24.308 0.300 . 1 . . . . 27 THR CG2 . 10177 1 220 . 1 1 27 27 THR HG21 H 1 1.285 0.030 . 1 . . . . 27 THR HG2 . 10177 1 221 . 1 1 27 27 THR HG22 H 1 1.285 0.030 . 1 . . . . 27 THR HG2 . 10177 1 222 . 1 1 27 27 THR HG23 H 1 1.285 0.030 . 1 . . . . 27 THR HG2 . 10177 1 223 . 1 1 27 27 THR C C 13 176.325 0.300 . 1 . . . . 27 THR C . 10177 1 224 . 1 1 28 28 LEU N N 15 123.865 0.300 . 1 . . . . 28 LEU N . 10177 1 225 . 1 1 28 28 LEU H H 1 7.075 0.030 . 1 . . . . 28 LEU H . 10177 1 226 . 1 1 28 28 LEU CA C 13 58.313 0.300 . 1 . . . . 28 LEU CA . 10177 1 227 . 1 1 28 28 LEU HA H 1 3.255 0.030 . 1 . . . . 28 LEU HA . 10177 1 228 . 1 1 28 28 LEU CB C 13 40.195 0.300 . 1 . . . . 28 LEU CB . 10177 1 229 . 1 1 28 28 LEU HB2 H 1 1.289 0.030 . 2 . . . . 28 LEU HB2 . 10177 1 230 . 1 1 28 28 LEU HB3 H 1 2.108 0.030 . 2 . . . . 28 LEU HB3 . 10177 1 231 . 1 1 28 28 LEU CG C 13 27.574 0.300 . 1 . . . . 28 LEU CG . 10177 1 232 . 1 1 28 28 LEU HG H 1 1.494 0.030 . 1 . . . . 28 LEU HG . 10177 1 233 . 1 1 28 28 LEU CD1 C 13 26.611 0.300 . 2 . . . . 28 LEU CD1 . 10177 1 234 . 1 1 28 28 LEU HD11 H 1 0.982 0.030 . 1 . . . . 28 LEU HD1 . 10177 1 235 . 1 1 28 28 LEU HD12 H 1 0.982 0.030 . 1 . . . . 28 LEU HD1 . 10177 1 236 . 1 1 28 28 LEU HD13 H 1 0.982 0.030 . 1 . . . . 28 LEU HD1 . 10177 1 237 . 1 1 28 28 LEU CD2 C 13 23.041 0.300 . 2 . . . . 28 LEU CD2 . 10177 1 238 . 1 1 28 28 LEU HD21 H 1 1.025 0.030 . 1 . . . . 28 LEU HD2 . 10177 1 239 . 1 1 28 28 LEU HD22 H 1 1.025 0.030 . 1 . . . . 28 LEU HD2 . 10177 1 240 . 1 1 28 28 LEU HD23 H 1 1.025 0.030 . 1 . . . . 28 LEU HD2 . 10177 1 241 . 1 1 28 28 LEU C C 13 177.531 0.300 . 1 . . . . 28 LEU C . 10177 1 242 . 1 1 29 29 ILE N N 15 119.337 0.300 . 1 . . . . 29 ILE N . 10177 1 243 . 1 1 29 29 ILE H H 1 8.208 0.030 . 1 . . . . 29 ILE H . 10177 1 244 . 1 1 29 29 ILE CA C 13 64.671 0.300 . 1 . . . . 29 ILE CA . 10177 1 245 . 1 1 29 29 ILE HA H 1 3.738 0.030 . 1 . . . . 29 ILE HA . 10177 1 246 . 1 1 29 29 ILE CB C 13 37.489 0.300 . 1 . . . . 29 ILE CB . 10177 1 247 . 1 1 29 29 ILE HB H 1 1.802 0.030 . 1 . . . . 29 ILE HB . 10177 1 248 . 1 1 29 29 ILE CG1 C 13 28.925 0.300 . 1 . . . . 29 ILE CG1 . 10177 1 249 . 1 1 29 29 ILE HG12 H 1 1.550 0.030 . 2 . . . . 29 ILE HG12 . 10177 1 250 . 1 1 29 29 ILE HG13 H 1 1.207 0.030 . 2 . . . . 29 ILE HG13 . 10177 1 251 . 1 1 29 29 ILE CG2 C 13 17.150 0.300 . 1 . . . . 29 ILE CG2 . 10177 1 252 . 1 1 29 29 ILE HG21 H 1 0.858 0.030 . 1 . . . . 29 ILE HG2 . 10177 1 253 . 1 1 29 29 ILE HG22 H 1 0.858 0.030 . 1 . . . . 29 ILE HG2 . 10177 1 254 . 1 1 29 29 ILE HG23 H 1 0.858 0.030 . 1 . . . . 29 ILE HG2 . 10177 1 255 . 1 1 29 29 ILE CD1 C 13 12.693 0.300 . 1 . . . . 29 ILE CD1 . 10177 1 256 . 1 1 29 29 ILE HD11 H 1 0.756 0.030 . 1 . . . . 29 ILE HD1 . 10177 1 257 . 1 1 29 29 ILE HD12 H 1 0.756 0.030 . 1 . . . . 29 ILE HD1 . 10177 1 258 . 1 1 29 29 ILE HD13 H 1 0.756 0.030 . 1 . . . . 29 ILE HD1 . 10177 1 259 . 1 1 29 29 ILE C C 13 179.113 0.300 . 1 . . . . 29 ILE C . 10177 1 260 . 1 1 30 30 MET N N 15 117.854 0.300 . 1 . . . . 30 MET N . 10177 1 261 . 1 1 30 30 MET H H 1 7.452 0.030 . 1 . . . . 30 MET H . 10177 1 262 . 1 1 30 30 MET CA C 13 58.365 0.300 . 1 . . . . 30 MET CA . 10177 1 263 . 1 1 30 30 MET HA H 1 4.111 0.030 . 1 . . . . 30 MET HA . 10177 1 264 . 1 1 30 30 MET CB C 13 32.273 0.300 . 1 . . . . 30 MET CB . 10177 1 265 . 1 1 30 30 MET HB2 H 1 2.077 0.030 . 1 . . . . 30 MET HB2 . 10177 1 266 . 1 1 30 30 MET HB3 H 1 2.077 0.030 . 1 . . . . 30 MET HB3 . 10177 1 267 . 1 1 30 30 MET CG C 13 32.102 0.300 . 1 . . . . 30 MET CG . 10177 1 268 . 1 1 30 30 MET HG2 H 1 2.650 0.030 . 2 . . . . 30 MET HG2 . 10177 1 269 . 1 1 30 30 MET HG3 H 1 2.556 0.030 . 2 . . . . 30 MET HG3 . 10177 1 270 . 1 1 30 30 MET CE C 13 16.937 0.300 . 1 . . . . 30 MET CE . 10177 1 271 . 1 1 30 30 MET HE1 H 1 2.062 0.030 . 1 . . . . 30 MET HE . 10177 1 272 . 1 1 30 30 MET HE2 H 1 2.062 0.030 . 1 . . . . 30 MET HE . 10177 1 273 . 1 1 30 30 MET HE3 H 1 2.062 0.030 . 1 . . . . 30 MET HE . 10177 1 274 . 1 1 30 30 MET C C 13 178.944 0.300 . 1 . . . . 30 MET C . 10177 1 275 . 1 1 31 31 HIS N N 15 120.334 0.300 . 1 . . . . 31 HIS N . 10177 1 276 . 1 1 31 31 HIS H H 1 7.948 0.030 . 1 . . . . 31 HIS H . 10177 1 277 . 1 1 31 31 HIS CA C 13 59.151 0.300 . 1 . . . . 31 HIS CA . 10177 1 278 . 1 1 31 31 HIS HA H 1 4.157 0.030 . 1 . . . . 31 HIS HA . 10177 1 279 . 1 1 31 31 HIS CB C 13 28.008 0.300 . 1 . . . . 31 HIS CB . 10177 1 280 . 1 1 31 31 HIS HB2 H 1 3.214 0.030 . 2 . . . . 31 HIS HB2 . 10177 1 281 . 1 1 31 31 HIS HB3 H 1 2.818 0.030 . 2 . . . . 31 HIS HB3 . 10177 1 282 . 1 1 31 31 HIS CD2 C 13 127.248 0.300 . 1 . . . . 31 HIS CD2 . 10177 1 283 . 1 1 31 31 HIS HD2 H 1 6.936 0.030 . 1 . . . . 31 HIS HD2 . 10177 1 284 . 1 1 31 31 HIS CE1 C 13 139.489 0.300 . 1 . . . . 31 HIS CE1 . 10177 1 285 . 1 1 31 31 HIS HE1 H 1 8.039 0.030 . 1 . . . . 31 HIS HE1 . 10177 1 286 . 1 1 31 31 HIS C C 13 176.320 0.300 . 1 . . . . 31 HIS C . 10177 1 287 . 1 1 32 32 GLN N N 15 115.623 0.300 . 1 . . . . 32 GLN N . 10177 1 288 . 1 1 32 32 GLN H H 1 8.424 0.030 . 1 . . . . 32 GLN H . 10177 1 289 . 1 1 32 32 GLN CA C 13 59.493 0.300 . 1 . . . . 32 GLN CA . 10177 1 290 . 1 1 32 32 GLN HA H 1 3.663 0.030 . 1 . . . . 32 GLN HA . 10177 1 291 . 1 1 32 32 GLN CB C 13 28.305 0.300 . 1 . . . . 32 GLN CB . 10177 1 292 . 1 1 32 32 GLN HB2 H 1 2.335 0.030 . 2 . . . . 32 GLN HB2 . 10177 1 293 . 1 1 32 32 GLN HB3 H 1 2.227 0.030 . 2 . . . . 32 GLN HB3 . 10177 1 294 . 1 1 32 32 GLN CG C 13 35.780 0.300 . 1 . . . . 32 GLN CG . 10177 1 295 . 1 1 32 32 GLN HG2 H 1 2.909 0.030 . 2 . . . . 32 GLN HG2 . 10177 1 296 . 1 1 32 32 GLN HG3 H 1 2.846 0.030 . 2 . . . . 32 GLN HG3 . 10177 1 297 . 1 1 32 32 GLN NE2 N 15 111.887 0.300 . 1 . . . . 32 GLN NE2 . 10177 1 298 . 1 1 32 32 GLN HE21 H 1 6.931 0.030 . 2 . . . . 32 GLN HE21 . 10177 1 299 . 1 1 32 32 GLN HE22 H 1 7.655 0.030 . 2 . . . . 32 GLN HE22 . 10177 1 300 . 1 1 32 32 GLN C C 13 177.429 0.300 . 1 . . . . 32 GLN C . 10177 1 301 . 1 1 33 33 ARG N N 15 117.693 0.300 . 1 . . . . 33 ARG N . 10177 1 302 . 1 1 33 33 ARG H H 1 7.178 0.030 . 1 . . . . 33 ARG H . 10177 1 303 . 1 1 33 33 ARG CA C 13 58.554 0.300 . 1 . . . . 33 ARG CA . 10177 1 304 . 1 1 33 33 ARG HA H 1 4.136 0.030 . 1 . . . . 33 ARG HA . 10177 1 305 . 1 1 33 33 ARG CB C 13 30.111 0.300 . 1 . . . . 33 ARG CB . 10177 1 306 . 1 1 33 33 ARG HB2 H 1 1.885 0.030 . 2 . . . . 33 ARG HB2 . 10177 1 307 . 1 1 33 33 ARG HB3 H 1 1.798 0.030 . 2 . . . . 33 ARG HB3 . 10177 1 308 . 1 1 33 33 ARG CG C 13 27.589 0.300 . 1 . . . . 33 ARG CG . 10177 1 309 . 1 1 33 33 ARG HG2 H 1 1.679 0.030 . 2 . . . . 33 ARG HG2 . 10177 1 310 . 1 1 33 33 ARG HG3 H 1 1.885 0.030 . 2 . . . . 33 ARG HG3 . 10177 1 311 . 1 1 33 33 ARG CD C 13 43.663 0.300 . 1 . . . . 33 ARG CD . 10177 1 312 . 1 1 33 33 ARG HD2 H 1 3.204 0.030 . 1 . . . . 33 ARG HD2 . 10177 1 313 . 1 1 33 33 ARG HD3 H 1 3.204 0.030 . 1 . . . . 33 ARG HD3 . 10177 1 314 . 1 1 33 33 ARG C C 13 178.642 0.300 . 1 . . . . 33 ARG C . 10177 1 315 . 1 1 34 34 ILE N N 15 116.231 0.300 . 1 . . . . 34 ILE N . 10177 1 316 . 1 1 34 34 ILE H H 1 7.835 0.030 . 1 . . . . 34 ILE H . 10177 1 317 . 1 1 34 34 ILE CA C 13 63.054 0.300 . 1 . . . . 34 ILE CA . 10177 1 318 . 1 1 34 34 ILE HA H 1 3.974 0.030 . 1 . . . . 34 ILE HA . 10177 1 319 . 1 1 34 34 ILE CB C 13 37.687 0.300 . 1 . . . . 34 ILE CB . 10177 1 320 . 1 1 34 34 ILE HB H 1 1.683 0.030 . 1 . . . . 34 ILE HB . 10177 1 321 . 1 1 34 34 ILE CG1 C 13 26.675 0.300 . 1 . . . . 34 ILE CG1 . 10177 1 322 . 1 1 34 34 ILE HG12 H 1 0.934 0.030 . 2 . . . . 34 ILE HG12 . 10177 1 323 . 1 1 34 34 ILE HG13 H 1 0.760 0.030 . 2 . . . . 34 ILE HG13 . 10177 1 324 . 1 1 34 34 ILE CG2 C 13 16.475 0.300 . 1 . . . . 34 ILE CG2 . 10177 1 325 . 1 1 34 34 ILE HG21 H 1 0.571 0.030 . 1 . . . . 34 ILE HG2 . 10177 1 326 . 1 1 34 34 ILE HG22 H 1 0.571 0.030 . 1 . . . . 34 ILE HG2 . 10177 1 327 . 1 1 34 34 ILE HG23 H 1 0.571 0.030 . 1 . . . . 34 ILE HG2 . 10177 1 328 . 1 1 34 34 ILE CD1 C 13 14.368 0.300 . 1 . . . . 34 ILE CD1 . 10177 1 329 . 1 1 34 34 ILE HD11 H 1 0.701 0.030 . 1 . . . . 34 ILE HD1 . 10177 1 330 . 1 1 34 34 ILE HD12 H 1 0.701 0.030 . 1 . . . . 34 ILE HD1 . 10177 1 331 . 1 1 34 34 ILE HD13 H 1 0.701 0.030 . 1 . . . . 34 ILE HD1 . 10177 1 332 . 1 1 34 34 ILE C C 13 177.429 0.300 . 1 . . . . 34 ILE C . 10177 1 333 . 1 1 35 35 HIS N N 15 117.721 0.300 . 1 . . . . 35 HIS N . 10177 1 334 . 1 1 35 35 HIS H H 1 7.202 0.030 . 1 . . . . 35 HIS H . 10177 1 335 . 1 1 35 35 HIS CA C 13 55.257 0.300 . 1 . . . . 35 HIS CA . 10177 1 336 . 1 1 35 35 HIS HA H 1 4.853 0.030 . 1 . . . . 35 HIS HA . 10177 1 337 . 1 1 35 35 HIS CB C 13 28.493 0.300 . 1 . . . . 35 HIS CB . 10177 1 338 . 1 1 35 35 HIS HB2 H 1 3.355 0.030 . 2 . . . . 35 HIS HB2 . 10177 1 339 . 1 1 35 35 HIS HB3 H 1 3.236 0.030 . 2 . . . . 35 HIS HB3 . 10177 1 340 . 1 1 35 35 HIS CD2 C 13 127.632 0.300 . 1 . . . . 35 HIS CD2 . 10177 1 341 . 1 1 35 35 HIS HD2 H 1 6.742 0.030 . 1 . . . . 35 HIS HD2 . 10177 1 342 . 1 1 35 35 HIS CE1 C 13 140.119 0.300 . 1 . . . . 35 HIS CE1 . 10177 1 343 . 1 1 35 35 HIS HE1 H 1 8.067 0.030 . 1 . . . . 35 HIS HE1 . 10177 1 344 . 1 1 35 35 HIS C C 13 175.814 0.300 . 1 . . . . 35 HIS C . 10177 1 345 . 1 1 36 36 THR N N 15 111.765 0.300 . 1 . . . . 36 THR N . 10177 1 346 . 1 1 36 36 THR H H 1 7.763 0.030 . 1 . . . . 36 THR H . 10177 1 347 . 1 1 36 36 THR CA C 13 62.569 0.300 . 1 . . . . 36 THR CA . 10177 1 348 . 1 1 36 36 THR HA H 1 4.350 0.030 . 1 . . . . 36 THR HA . 10177 1 349 . 1 1 36 36 THR CB C 13 69.804 0.300 . 1 . . . . 36 THR CB . 10177 1 350 . 1 1 36 36 THR HB H 1 4.321 0.030 . 1 . . . . 36 THR HB . 10177 1 351 . 1 1 36 36 THR CG2 C 13 21.608 0.300 . 1 . . . . 36 THR CG2 . 10177 1 352 . 1 1 36 36 THR HG21 H 1 1.240 0.030 . 1 . . . . 36 THR HG2 . 10177 1 353 . 1 1 36 36 THR HG22 H 1 1.240 0.030 . 1 . . . . 36 THR HG2 . 10177 1 354 . 1 1 36 36 THR HG23 H 1 1.240 0.030 . 1 . . . . 36 THR HG2 . 10177 1 355 . 1 1 36 36 THR C C 13 175.474 0.300 . 1 . . . . 36 THR C . 10177 1 356 . 1 1 37 37 GLY N N 15 110.608 0.300 . 1 . . . . 37 GLY N . 10177 1 357 . 1 1 37 37 GLY H H 1 8.218 0.030 . 1 . . . . 37 GLY H . 10177 1 358 . 1 1 37 37 GLY CA C 13 45.399 0.300 . 1 . . . . 37 GLY CA . 10177 1 359 . 1 1 37 37 GLY HA2 H 1 3.955 0.030 . 2 . . . . 37 GLY HA2 . 10177 1 360 . 1 1 37 37 GLY HA3 H 1 4.026 0.030 . 2 . . . . 37 GLY HA3 . 10177 1 361 . 1 1 37 37 GLY C C 13 174.038 0.300 . 1 . . . . 37 GLY C . 10177 1 362 . 1 1 38 38 GLU N N 15 120.485 0.300 . 1 . . . . 38 GLU N . 10177 1 363 . 1 1 38 38 GLU H H 1 8.221 0.030 . 1 . . . . 38 GLU H . 10177 1 364 . 1 1 38 38 GLU CA C 13 56.456 0.300 . 1 . . . . 38 GLU CA . 10177 1 365 . 1 1 38 38 GLU HA H 1 4.219 0.030 . 1 . . . . 38 GLU HA . 10177 1 366 . 1 1 38 38 GLU CB C 13 30.482 0.300 . 1 . . . . 38 GLU CB . 10177 1 367 . 1 1 38 38 GLU HB2 H 1 1.850 0.030 . 2 . . . . 38 GLU HB2 . 10177 1 368 . 1 1 38 38 GLU HB3 H 1 1.948 0.030 . 2 . . . . 38 GLU HB3 . 10177 1 369 . 1 1 38 38 GLU CG C 13 36.225 0.300 . 1 . . . . 38 GLU CG . 10177 1 370 . 1 1 38 38 GLU HG2 H 1 2.216 0.030 . 2 . . . . 38 GLU HG2 . 10177 1 371 . 1 1 38 38 GLU C C 13 176.231 0.300 . 1 . . . . 38 GLU C . 10177 1 372 . 1 1 39 39 LYS N N 15 123.785 0.300 . 1 . . . . 39 LYS N . 10177 1 373 . 1 1 39 39 LYS H H 1 8.387 0.030 . 1 . . . . 39 LYS H . 10177 1 374 . 1 1 39 39 LYS CA C 13 54.108 0.300 . 1 . . . . 39 LYS CA . 10177 1 375 . 1 1 39 39 LYS HA H 1 4.607 0.030 . 1 . . . . 39 LYS HA . 10177 1 376 . 1 1 39 39 LYS CB C 13 32.499 0.300 . 1 . . . . 39 LYS CB . 10177 1 377 . 1 1 39 39 LYS HB2 H 1 1.726 0.030 . 2 . . . . 39 LYS HB2 . 10177 1 378 . 1 1 39 39 LYS HB3 H 1 1.823 0.030 . 2 . . . . 39 LYS HB3 . 10177 1 379 . 1 1 39 39 LYS CG C 13 24.508 0.300 . 1 . . . . 39 LYS CG . 10177 1 380 . 1 1 39 39 LYS HG2 H 1 1.464 0.030 . 1 . . . . 39 LYS HG2 . 10177 1 381 . 1 1 39 39 LYS HG3 H 1 1.464 0.030 . 1 . . . . 39 LYS HG3 . 10177 1 382 . 1 1 39 39 LYS CD C 13 29.122 0.300 . 1 . . . . 39 LYS CD . 10177 1 383 . 1 1 39 39 LYS HD2 H 1 1.693 0.030 . 1 . . . . 39 LYS HD2 . 10177 1 384 . 1 1 39 39 LYS HD3 H 1 1.693 0.030 . 1 . . . . 39 LYS HD3 . 10177 1 385 . 1 1 39 39 LYS CE C 13 42.267 0.300 . 1 . . . . 39 LYS CE . 10177 1 386 . 1 1 39 39 LYS HE2 H 1 2.998 0.030 . 1 . . . . 39 LYS HE2 . 10177 1 387 . 1 1 39 39 LYS HE3 H 1 2.998 0.030 . 1 . . . . 39 LYS HE3 . 10177 1 388 . 1 1 39 39 LYS C C 13 174.519 0.300 . 1 . . . . 39 LYS C . 10177 1 389 . 1 1 40 40 PRO CA C 13 63.238 0.300 . 1 . . . . 40 PRO CA . 10177 1 390 . 1 1 40 40 PRO HA H 1 4.463 0.030 . 1 . . . . 40 PRO HA . 10177 1 391 . 1 1 40 40 PRO CB C 13 32.180 0.300 . 1 . . . . 40 PRO CB . 10177 1 392 . 1 1 40 40 PRO HB2 H 1 2.307 0.030 . 2 . . . . 40 PRO HB2 . 10177 1 393 . 1 1 40 40 PRO HB3 H 1 1.939 0.030 . 2 . . . . 40 PRO HB3 . 10177 1 394 . 1 1 40 40 PRO CG C 13 27.343 0.300 . 1 . . . . 40 PRO CG . 10177 1 395 . 1 1 40 40 PRO HG2 H 1 2.016 0.030 . 1 . . . . 40 PRO HG2 . 10177 1 396 . 1 1 40 40 PRO HG3 H 1 2.016 0.030 . 1 . . . . 40 PRO HG3 . 10177 1 397 . 1 1 40 40 PRO CD C 13 50.677 0.300 . 1 . . . . 40 PRO CD . 10177 1 398 . 1 1 40 40 PRO HD2 H 1 3.815 0.030 . 2 . . . . 40 PRO HD2 . 10177 1 399 . 1 1 40 40 PRO HD3 H 1 3.644 0.030 . 2 . . . . 40 PRO HD3 . 10177 1 stop_ save_