################################### # 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11474 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 1H-15N NOESY' . . . 11474 1 2 '3D 1H-13C NOESY' . . . 11474 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 HA2 H 1 3.923 0.030 . 1 . . . . 7 GLY HA2 . 11474 1 2 . 1 1 7 7 GLY HA3 H 1 3.923 0.030 . 1 . . . . 7 GLY HA3 . 11474 1 3 . 1 1 7 7 GLY C C 13 173.692 0.300 . 1 . . . . 7 GLY C . 11474 1 4 . 1 1 7 7 GLY CA C 13 45.233 0.300 . 1 . . . . 7 GLY CA . 11474 1 5 . 1 1 8 8 LYS H H 1 8.053 0.030 . 1 . . . . 8 LYS H . 11474 1 6 . 1 1 8 8 LYS HA H 1 4.210 0.030 . 1 . . . . 8 LYS HA . 11474 1 7 . 1 1 8 8 LYS HB2 H 1 1.594 0.030 . 1 . . . . 8 LYS HB2 . 11474 1 8 . 1 1 8 8 LYS HB3 H 1 1.594 0.030 . 1 . . . . 8 LYS HB3 . 11474 1 9 . 1 1 8 8 LYS HD2 H 1 1.621 0.030 . 1 . . . . 8 LYS HD2 . 11474 1 10 . 1 1 8 8 LYS HD3 H 1 1.621 0.030 . 1 . . . . 8 LYS HD3 . 11474 1 11 . 1 1 8 8 LYS HE2 H 1 2.928 0.030 . 1 . . . . 8 LYS HE2 . 11474 1 12 . 1 1 8 8 LYS HE3 H 1 2.928 0.030 . 1 . . . . 8 LYS HE3 . 11474 1 13 . 1 1 8 8 LYS HG2 H 1 1.261 0.030 . 2 . . . . 8 LYS HG2 . 11474 1 14 . 1 1 8 8 LYS HG3 H 1 1.192 0.030 . 2 . . . . 8 LYS HG3 . 11474 1 15 . 1 1 8 8 LYS C C 13 175.339 0.300 . 1 . . . . 8 LYS C . 11474 1 16 . 1 1 8 8 LYS CA C 13 56.025 0.300 . 1 . . . . 8 LYS CA . 11474 1 17 . 1 1 8 8 LYS CB C 13 33.183 0.300 . 1 . . . . 8 LYS CB . 11474 1 18 . 1 1 8 8 LYS CD C 13 29.040 0.300 . 1 . . . . 8 LYS CD . 11474 1 19 . 1 1 8 8 LYS CE C 13 42.146 0.300 . 1 . . . . 8 LYS CE . 11474 1 20 . 1 1 8 8 LYS CG C 13 24.774 0.300 . 1 . . . . 8 LYS CG . 11474 1 21 . 1 1 8 8 LYS N N 15 121.089 0.300 . 1 . . . . 8 LYS N . 11474 1 22 . 1 1 9 9 ILE H H 1 7.558 0.030 . 1 . . . . 9 ILE H . 11474 1 23 . 1 1 9 9 ILE HA H 1 4.290 0.030 . 1 . . . . 9 ILE HA . 11474 1 24 . 1 1 9 9 ILE HB H 1 1.652 0.030 . 1 . . . . 9 ILE HB . 11474 1 25 . 1 1 9 9 ILE HD11 H 1 0.690 0.030 . 1 . . . . 9 ILE HD1 . 11474 1 26 . 1 1 9 9 ILE HD12 H 1 0.690 0.030 . 1 . . . . 9 ILE HD1 . 11474 1 27 . 1 1 9 9 ILE HD13 H 1 0.690 0.030 . 1 . . . . 9 ILE HD1 . 11474 1 28 . 1 1 9 9 ILE HG12 H 1 1.197 0.030 . 2 . . . . 9 ILE HG12 . 11474 1 29 . 1 1 9 9 ILE HG13 H 1 0.961 0.030 . 2 . . . . 9 ILE HG13 . 11474 1 30 . 1 1 9 9 ILE HG21 H 1 0.699 0.030 . 1 . . . . 9 ILE HG2 . 11474 1 31 . 1 1 9 9 ILE HG22 H 1 0.699 0.030 . 1 . . . . 9 ILE HG2 . 11474 1 32 . 1 1 9 9 ILE HG23 H 1 0.699 0.030 . 1 . . . . 9 ILE HG2 . 11474 1 33 . 1 1 9 9 ILE C C 13 174.866 0.300 . 1 . . . . 9 ILE C . 11474 1 34 . 1 1 9 9 ILE CA C 13 59.771 0.300 . 1 . . . . 9 ILE CA . 11474 1 35 . 1 1 9 9 ILE CB C 13 40.520 0.300 . 1 . . . . 9 ILE CB . 11474 1 36 . 1 1 9 9 ILE CD1 C 13 13.155 0.300 . 1 . . . . 9 ILE CD1 . 11474 1 37 . 1 1 9 9 ILE CG1 C 13 26.549 0.300 . 1 . . . . 9 ILE CG1 . 11474 1 38 . 1 1 9 9 ILE CG2 C 13 18.200 0.300 . 1 . . . . 9 ILE CG2 . 11474 1 39 . 1 1 9 9 ILE N N 15 118.352 0.300 . 1 . . . . 9 ILE N . 11474 1 40 . 1 1 10 10 PHE H H 1 8.477 0.030 . 1 . . . . 10 PHE H . 11474 1 41 . 1 1 10 10 PHE HA H 1 4.723 0.030 . 1 . . . . 10 PHE HA . 11474 1 42 . 1 1 10 10 PHE HB2 H 1 3.083 0.030 . 2 . . . . 10 PHE HB2 . 11474 1 43 . 1 1 10 10 PHE HB3 H 1 2.808 0.030 . 2 . . . . 10 PHE HB3 . 11474 1 44 . 1 1 10 10 PHE HD1 H 1 7.058 0.030 . 1 . . . . 10 PHE HD1 . 11474 1 45 . 1 1 10 10 PHE HD2 H 1 7.058 0.030 . 1 . . . . 10 PHE HD2 . 11474 1 46 . 1 1 10 10 PHE HE1 H 1 7.324 0.030 . 1 . . . . 10 PHE HE1 . 11474 1 47 . 1 1 10 10 PHE HE2 H 1 7.324 0.030 . 1 . . . . 10 PHE HE2 . 11474 1 48 . 1 1 10 10 PHE HZ H 1 7.330 0.030 . 1 . . . . 10 PHE HZ . 11474 1 49 . 1 1 10 10 PHE C C 13 174.705 0.300 . 1 . . . . 10 PHE C . 11474 1 50 . 1 1 10 10 PHE CA C 13 57.230 0.300 . 1 . . . . 10 PHE CA . 11474 1 51 . 1 1 10 10 PHE CB C 13 40.594 0.300 . 1 . . . . 10 PHE CB . 11474 1 52 . 1 1 10 10 PHE CD1 C 13 131.803 0.300 . 1 . . . . 10 PHE CD1 . 11474 1 53 . 1 1 10 10 PHE CD2 C 13 131.803 0.300 . 1 . . . . 10 PHE CD2 . 11474 1 54 . 1 1 10 10 PHE CE1 C 13 131.457 0.300 . 1 . . . . 10 PHE CE1 . 11474 1 55 . 1 1 10 10 PHE CE2 C 13 131.457 0.300 . 1 . . . . 10 PHE CE2 . 11474 1 56 . 1 1 10 10 PHE CZ C 13 129.859 0.300 . 1 . . . . 10 PHE CZ . 11474 1 57 . 1 1 10 10 PHE N N 15 123.498 0.300 . 1 . . . . 10 PHE N . 11474 1 58 . 1 1 11 11 THR H H 1 8.561 0.030 . 1 . . . . 11 THR H . 11474 1 59 . 1 1 11 11 THR HA H 1 5.011 0.030 . 1 . . . . 11 THR HA . 11474 1 60 . 1 1 11 11 THR HB H 1 3.857 0.030 . 1 . . . . 11 THR HB . 11474 1 61 . 1 1 11 11 THR HG21 H 1 1.018 0.030 . 1 . . . . 11 THR HG2 . 11474 1 62 . 1 1 11 11 THR HG22 H 1 1.018 0.030 . 1 . . . . 11 THR HG2 . 11474 1 63 . 1 1 11 11 THR HG23 H 1 1.018 0.030 . 1 . . . . 11 THR HG2 . 11474 1 64 . 1 1 11 11 THR C C 13 173.748 0.300 . 1 . . . . 11 THR C . 11474 1 65 . 1 1 11 11 THR CA C 13 61.470 0.300 . 1 . . . . 11 THR CA . 11474 1 66 . 1 1 11 11 THR CB C 13 70.625 0.300 . 1 . . . . 11 THR CB . 11474 1 67 . 1 1 11 11 THR CG2 C 13 21.350 0.300 . 1 . . . . 11 THR CG2 . 11474 1 68 . 1 1 11 11 THR N N 15 119.204 0.300 . 1 . . . . 11 THR N . 11474 1 69 . 1 1 12 12 CYS H H 1 9.191 0.030 . 1 . . . . 12 CYS H . 11474 1 70 . 1 1 12 12 CYS HA H 1 4.597 0.030 . 1 . . . . 12 CYS HA . 11474 1 71 . 1 1 12 12 CYS HB2 H 1 3.381 0.030 . 2 . . . . 12 CYS HB2 . 11474 1 72 . 1 1 12 12 CYS HB3 H 1 2.906 0.030 . 2 . . . . 12 CYS HB3 . 11474 1 73 . 1 1 12 12 CYS C C 13 177.096 0.300 . 1 . . . . 12 CYS C . 11474 1 74 . 1 1 12 12 CYS CA C 13 59.816 0.300 . 1 . . . . 12 CYS CA . 11474 1 75 . 1 1 12 12 CYS CB C 13 30.091 0.300 . 1 . . . . 12 CYS CB . 11474 1 76 . 1 1 12 12 CYS N N 15 128.213 0.300 . 1 . . . . 12 CYS N . 11474 1 77 . 1 1 13 13 GLU H H 1 9.585 0.030 . 1 . . . . 13 GLU H . 11474 1 78 . 1 1 13 13 GLU HA H 1 4.151 0.030 . 1 . . . . 13 GLU HA . 11474 1 79 . 1 1 13 13 GLU HB2 H 1 1.834 0.030 . 1 . . . . 13 GLU HB2 . 11474 1 80 . 1 1 13 13 GLU HB3 H 1 1.834 0.030 . 1 . . . . 13 GLU HB3 . 11474 1 81 . 1 1 13 13 GLU HG2 H 1 1.912 0.030 . 2 . . . . 13 GLU HG2 . 11474 1 82 . 1 1 13 13 GLU HG3 H 1 1.628 0.030 . 2 . . . . 13 GLU HG3 . 11474 1 83 . 1 1 13 13 GLU C C 13 176.375 0.300 . 1 . . . . 13 GLU C . 11474 1 84 . 1 1 13 13 GLU CA C 13 58.111 0.300 . 1 . . . . 13 GLU CA . 11474 1 85 . 1 1 13 13 GLU CB C 13 29.619 0.300 . 1 . . . . 13 GLU CB . 11474 1 86 . 1 1 13 13 GLU CG C 13 35.809 0.300 . 1 . . . . 13 GLU CG . 11474 1 87 . 1 1 13 13 GLU N N 15 131.100 0.300 . 1 . . . . 13 GLU N . 11474 1 88 . 1 1 14 14 TYR H H 1 9.075 0.030 . 1 . . . . 14 TYR H . 11474 1 89 . 1 1 14 14 TYR HA H 1 4.306 0.030 . 1 . . . . 14 TYR HA . 11474 1 90 . 1 1 14 14 TYR HB2 H 1 2.350 0.030 . 2 . . . . 14 TYR HB2 . 11474 1 91 . 1 1 14 14 TYR HB3 H 1 1.606 0.030 . 2 . . . . 14 TYR HB3 . 11474 1 92 . 1 1 14 14 TYR HD1 H 1 6.986 0.030 . 1 . . . . 14 TYR HD1 . 11474 1 93 . 1 1 14 14 TYR HD2 H 1 6.986 0.030 . 1 . . . . 14 TYR HD2 . 11474 1 94 . 1 1 14 14 TYR HE1 H 1 6.803 0.030 . 1 . . . . 14 TYR HE1 . 11474 1 95 . 1 1 14 14 TYR HE2 H 1 6.803 0.030 . 1 . . . . 14 TYR HE2 . 11474 1 96 . 1 1 14 14 TYR C C 13 177.113 0.300 . 1 . . . . 14 TYR C . 11474 1 97 . 1 1 14 14 TYR CA C 13 60.088 0.300 . 1 . . . . 14 TYR CA . 11474 1 98 . 1 1 14 14 TYR CB C 13 37.165 0.300 . 1 . . . . 14 TYR CB . 11474 1 99 . 1 1 14 14 TYR CD1 C 13 133.091 0.300 . 1 . . . . 14 TYR CD1 . 11474 1 100 . 1 1 14 14 TYR CD2 C 13 133.091 0.300 . 1 . . . . 14 TYR CD2 . 11474 1 101 . 1 1 14 14 TYR CE1 C 13 118.155 0.300 . 1 . . . . 14 TYR CE1 . 11474 1 102 . 1 1 14 14 TYR CE2 C 13 118.155 0.300 . 1 . . . . 14 TYR CE2 . 11474 1 103 . 1 1 14 14 TYR N N 15 120.658 0.300 . 1 . . . . 14 TYR N . 11474 1 104 . 1 1 15 15 CYS H H 1 8.330 0.030 . 1 . . . . 15 CYS H . 11474 1 105 . 1 1 15 15 CYS HA H 1 5.162 0.030 . 1 . . . . 15 CYS HA . 11474 1 106 . 1 1 15 15 CYS HB2 H 1 3.476 0.030 . 2 . . . . 15 CYS HB2 . 11474 1 107 . 1 1 15 15 CYS HB3 H 1 2.913 0.030 . 2 . . . . 15 CYS HB3 . 11474 1 108 . 1 1 15 15 CYS C C 13 175.356 0.300 . 1 . . . . 15 CYS C . 11474 1 109 . 1 1 15 15 CYS CA C 13 58.718 0.300 . 1 . . . . 15 CYS CA . 11474 1 110 . 1 1 15 15 CYS CB C 13 31.920 0.300 . 1 . . . . 15 CYS CB . 11474 1 111 . 1 1 15 15 CYS N N 15 117.134 0.300 . 1 . . . . 15 CYS N . 11474 1 112 . 1 1 16 16 ASN H H 1 8.298 0.030 . 1 . . . . 16 ASN H . 11474 1 113 . 1 1 16 16 ASN HA H 1 4.514 0.030 . 1 . . . . 16 ASN HA . 11474 1 114 . 1 1 16 16 ASN HB2 H 1 3.003 0.030 . 1 . . . . 16 ASN HB2 . 11474 1 115 . 1 1 16 16 ASN HB3 H 1 3.003 0.030 . 1 . . . . 16 ASN HB3 . 11474 1 116 . 1 1 16 16 ASN HD21 H 1 7.430 0.030 . 2 . . . . 16 ASN HD21 . 11474 1 117 . 1 1 16 16 ASN HD22 H 1 6.785 0.030 . 2 . . . . 16 ASN HD22 . 11474 1 118 . 1 1 16 16 ASN C C 13 174.092 0.300 . 1 . . . . 16 ASN C . 11474 1 119 . 1 1 16 16 ASN CA C 13 55.442 0.300 . 1 . . . . 16 ASN CA . 11474 1 120 . 1 1 16 16 ASN CB C 13 37.802 0.300 . 1 . . . . 16 ASN CB . 11474 1 121 . 1 1 16 16 ASN N N 15 118.064 0.300 . 1 . . . . 16 ASN N . 11474 1 122 . 1 1 16 16 ASN ND2 N 15 112.296 0.300 . 1 . . . . 16 ASN ND2 . 11474 1 123 . 1 1 17 17 LYS H H 1 7.867 0.030 . 1 . . . . 17 LYS H . 11474 1 124 . 1 1 17 17 LYS HA H 1 4.081 0.030 . 1 . . . . 17 LYS HA . 11474 1 125 . 1 1 17 17 LYS HB2 H 1 1.525 0.030 . 2 . . . . 17 LYS HB2 . 11474 1 126 . 1 1 17 17 LYS HB3 H 1 1.259 0.030 . 2 . . . . 17 LYS HB3 . 11474 1 127 . 1 1 17 17 LYS HD2 H 1 1.517 0.030 . 2 . . . . 17 LYS HD2 . 11474 1 128 . 1 1 17 17 LYS HD3 H 1 1.412 0.030 . 2 . . . . 17 LYS HD3 . 11474 1 129 . 1 1 17 17 LYS HE2 H 1 2.990 0.030 . 2 . . . . 17 LYS HE2 . 11474 1 130 . 1 1 17 17 LYS HE3 H 1 2.902 0.030 . 2 . . . . 17 LYS HE3 . 11474 1 131 . 1 1 17 17 LYS HG2 H 1 1.497 0.030 . 2 . . . . 17 LYS HG2 . 11474 1 132 . 1 1 17 17 LYS HG3 H 1 1.052 0.030 . 2 . . . . 17 LYS HG3 . 11474 1 133 . 1 1 17 17 LYS C C 13 174.479 0.300 . 1 . . . . 17 LYS C . 11474 1 134 . 1 1 17 17 LYS CA C 13 58.315 0.300 . 1 . . . . 17 LYS CA . 11474 1 135 . 1 1 17 17 LYS CB C 13 34.104 0.300 . 1 . . . . 17 LYS CB . 11474 1 136 . 1 1 17 17 LYS CD C 13 29.415 0.300 . 1 . . . . 17 LYS CD . 11474 1 137 . 1 1 17 17 LYS CE C 13 42.186 0.300 . 1 . . . . 17 LYS CE . 11474 1 138 . 1 1 17 17 LYS CG C 13 26.479 0.300 . 1 . . . . 17 LYS CG . 11474 1 139 . 1 1 17 17 LYS N N 15 121.797 0.300 . 1 . . . . 17 LYS N . 11474 1 140 . 1 1 18 18 VAL H H 1 7.627 0.030 . 1 . . . . 18 VAL H . 11474 1 141 . 1 1 18 18 VAL HA H 1 4.721 0.030 . 1 . . . . 18 VAL HA . 11474 1 142 . 1 1 18 18 VAL HB H 1 1.725 0.030 . 1 . . . . 18 VAL HB . 11474 1 143 . 1 1 18 18 VAL HG11 H 1 0.794 0.030 . 1 . . . . 18 VAL HG1 . 11474 1 144 . 1 1 18 18 VAL HG12 H 1 0.794 0.030 . 1 . . . . 18 VAL HG1 . 11474 1 145 . 1 1 18 18 VAL HG13 H 1 0.794 0.030 . 1 . . . . 18 VAL HG1 . 11474 1 146 . 1 1 18 18 VAL HG21 H 1 0.822 0.030 . 1 . . . . 18 VAL HG2 . 11474 1 147 . 1 1 18 18 VAL HG22 H 1 0.822 0.030 . 1 . . . . 18 VAL HG2 . 11474 1 148 . 1 1 18 18 VAL HG23 H 1 0.822 0.030 . 1 . . . . 18 VAL HG2 . 11474 1 149 . 1 1 18 18 VAL C C 13 175.338 0.300 . 1 . . . . 18 VAL C . 11474 1 150 . 1 1 18 18 VAL CA C 13 60.894 0.300 . 1 . . . . 18 VAL CA . 11474 1 151 . 1 1 18 18 VAL CB C 13 34.039 0.300 . 1 . . . . 18 VAL CB . 11474 1 152 . 1 1 18 18 VAL CG1 C 13 21.919 0.300 . 2 . . . . 18 VAL CG1 . 11474 1 153 . 1 1 18 18 VAL CG2 C 13 20.601 0.300 . 2 . . . . 18 VAL CG2 . 11474 1 154 . 1 1 18 18 VAL N N 15 118.680 0.300 . 1 . . . . 18 VAL N . 11474 1 155 . 1 1 19 19 PHE H H 1 9.049 0.030 . 1 . . . . 19 PHE H . 11474 1 156 . 1 1 19 19 PHE HA H 1 4.683 0.030 . 1 . . . . 19 PHE HA . 11474 1 157 . 1 1 19 19 PHE HB2 H 1 3.342 0.030 . 2 . . . . 19 PHE HB2 . 11474 1 158 . 1 1 19 19 PHE HB3 H 1 2.688 0.030 . 2 . . . . 19 PHE HB3 . 11474 1 159 . 1 1 19 19 PHE HD1 H 1 7.210 0.030 . 1 . . . . 19 PHE HD1 . 11474 1 160 . 1 1 19 19 PHE HD2 H 1 7.210 0.030 . 1 . . . . 19 PHE HD2 . 11474 1 161 . 1 1 19 19 PHE HE1 H 1 6.849 0.030 . 1 . . . . 19 PHE HE1 . 11474 1 162 . 1 1 19 19 PHE HE2 H 1 6.849 0.030 . 1 . . . . 19 PHE HE2 . 11474 1 163 . 1 1 19 19 PHE HZ H 1 6.110 0.030 . 1 . . . . 19 PHE HZ . 11474 1 164 . 1 1 19 19 PHE C C 13 175.084 0.300 . 1 . . . . 19 PHE C . 11474 1 165 . 1 1 19 19 PHE CA C 13 56.978 0.300 . 1 . . . . 19 PHE CA . 11474 1 166 . 1 1 19 19 PHE CB C 13 43.316 0.300 . 1 . . . . 19 PHE CB . 11474 1 167 . 1 1 19 19 PHE CD1 C 13 132.382 0.300 . 1 . . . . 19 PHE CD1 . 11474 1 168 . 1 1 19 19 PHE CD2 C 13 132.382 0.300 . 1 . . . . 19 PHE CD2 . 11474 1 169 . 1 1 19 19 PHE CE1 C 13 130.601 0.300 . 1 . . . . 19 PHE CE1 . 11474 1 170 . 1 1 19 19 PHE CE2 C 13 130.601 0.300 . 1 . . . . 19 PHE CE2 . 11474 1 171 . 1 1 19 19 PHE CZ C 13 128.631 0.300 . 1 . . . . 19 PHE CZ . 11474 1 172 . 1 1 19 19 PHE N N 15 122.219 0.300 . 1 . . . . 19 PHE N . 11474 1 173 . 1 1 20 20 LYS H H 1 8.886 0.030 . 1 . . . . 20 LYS H . 11474 1 174 . 1 1 20 20 LYS HA H 1 4.342 0.030 . 1 . . . . 20 LYS HA . 11474 1 175 . 1 1 20 20 LYS HB2 H 1 1.481 0.030 . 2 . . . . 20 LYS HB2 . 11474 1 176 . 1 1 20 20 LYS HB3 H 1 1.393 0.030 . 2 . . . . 20 LYS HB3 . 11474 1 177 . 1 1 20 20 LYS HD2 H 1 1.567 0.030 . 1 . . . . 20 LYS HD2 . 11474 1 178 . 1 1 20 20 LYS HD3 H 1 1.567 0.030 . 1 . . . . 20 LYS HD3 . 11474 1 179 . 1 1 20 20 LYS HE2 H 1 2.907 0.030 . 1 . . . . 20 LYS HE2 . 11474 1 180 . 1 1 20 20 LYS HE3 H 1 2.907 0.030 . 1 . . . . 20 LYS HE3 . 11474 1 181 . 1 1 20 20 LYS HG2 H 1 1.267 0.030 . 2 . . . . 20 LYS HG2 . 11474 1 182 . 1 1 20 20 LYS HG3 H 1 1.051 0.030 . 2 . . . . 20 LYS HG3 . 11474 1 183 . 1 1 20 20 LYS C C 13 175.850 0.300 . 1 . . . . 20 LYS C . 11474 1 184 . 1 1 20 20 LYS CA C 13 57.177 0.300 . 1 . . . . 20 LYS CA . 11474 1 185 . 1 1 20 20 LYS CB C 13 33.293 0.300 . 1 . . . . 20 LYS CB . 11474 1 186 . 1 1 20 20 LYS CD C 13 28.976 0.300 . 1 . . . . 20 LYS CD . 11474 1 187 . 1 1 20 20 LYS CE C 13 41.998 0.300 . 1 . . . . 20 LYS CE . 11474 1 188 . 1 1 20 20 LYS CG C 13 25.111 0.300 . 1 . . . . 20 LYS CG . 11474 1 189 . 1 1 20 20 LYS N N 15 120.499 0.300 . 1 . . . . 20 LYS N . 11474 1 190 . 1 1 21 21 PHE H H 1 7.189 0.030 . 1 . . . . 21 PHE H . 11474 1 191 . 1 1 21 21 PHE HA H 1 4.957 0.030 . 1 . . . . 21 PHE HA . 11474 1 192 . 1 1 21 21 PHE HB2 H 1 2.954 0.030 . 2 . . . . 21 PHE HB2 . 11474 1 193 . 1 1 21 21 PHE HB3 H 1 2.413 0.030 . 2 . . . . 21 PHE HB3 . 11474 1 194 . 1 1 21 21 PHE HD1 H 1 7.420 0.030 . 1 . . . . 21 PHE HD1 . 11474 1 195 . 1 1 21 21 PHE HD2 H 1 7.420 0.030 . 1 . . . . 21 PHE HD2 . 11474 1 196 . 1 1 21 21 PHE HE1 H 1 7.471 0.030 . 1 . . . . 21 PHE HE1 . 11474 1 197 . 1 1 21 21 PHE HE2 H 1 7.471 0.030 . 1 . . . . 21 PHE HE2 . 11474 1 198 . 1 1 21 21 PHE CA C 13 55.297 0.300 . 1 . . . . 21 PHE CA . 11474 1 199 . 1 1 21 21 PHE CB C 13 42.359 0.300 . 1 . . . . 21 PHE CB . 11474 1 200 . 1 1 21 21 PHE CD1 C 13 132.596 0.300 . 1 . . . . 21 PHE CD1 . 11474 1 201 . 1 1 21 21 PHE CD2 C 13 132.596 0.300 . 1 . . . . 21 PHE CD2 . 11474 1 202 . 1 1 21 21 PHE CE1 C 13 131.359 0.300 . 1 . . . . 21 PHE CE1 . 11474 1 203 . 1 1 21 21 PHE CE2 C 13 131.359 0.300 . 1 . . . . 21 PHE CE2 . 11474 1 204 . 1 1 21 21 PHE N N 15 112.391 0.300 . 1 . . . . 21 PHE N . 11474 1 205 . 1 1 22 22 LYS H H 1 8.719 0.030 . 1 . . . . 22 LYS H . 11474 1 206 . 1 1 22 22 LYS HA H 1 2.862 0.030 . 1 . . . . 22 LYS HA . 11474 1 207 . 1 1 22 22 LYS HB2 H 1 1.558 0.030 . 2 . . . . 22 LYS HB2 . 11474 1 208 . 1 1 22 22 LYS HB3 H 1 1.188 0.030 . 2 . . . . 22 LYS HB3 . 11474 1 209 . 1 1 22 22 LYS HD2 H 1 1.622 0.030 . 2 . . . . 22 LYS HD2 . 11474 1 210 . 1 1 22 22 LYS HD3 H 1 1.572 0.030 . 2 . . . . 22 LYS HD3 . 11474 1 211 . 1 1 22 22 LYS HE2 H 1 2.928 0.030 . 1 . . . . 22 LYS HE2 . 11474 1 212 . 1 1 22 22 LYS HE3 H 1 2.928 0.030 . 1 . . . . 22 LYS HE3 . 11474 1 213 . 1 1 22 22 LYS HG2 H 1 1.170 0.030 . 2 . . . . 22 LYS HG2 . 11474 1 214 . 1 1 22 22 LYS HG3 H 1 1.057 0.030 . 2 . . . . 22 LYS HG3 . 11474 1 215 . 1 1 22 22 LYS C C 13 178.860 0.300 . 1 . . . . 22 LYS C . 11474 1 216 . 1 1 22 22 LYS CA C 13 59.493 0.300 . 1 . . . . 22 LYS CA . 11474 1 217 . 1 1 22 22 LYS CB C 13 31.822 0.300 . 1 . . . . 22 LYS CB . 11474 1 218 . 1 1 22 22 LYS CD C 13 29.142 0.300 . 1 . . . . 22 LYS CD . 11474 1 219 . 1 1 22 22 LYS CE C 13 42.117 0.300 . 1 . . . . 22 LYS CE . 11474 1 220 . 1 1 22 22 LYS CG C 13 24.802 0.300 . 1 . . . . 22 LYS CG . 11474 1 221 . 1 1 22 22 LYS N N 15 126.513 0.300 . 1 . . . . 22 LYS N . 11474 1 222 . 1 1 23 23 HIS H H 1 8.194 0.030 . 1 . . . . 23 HIS H . 11474 1 223 . 1 1 23 23 HIS HA H 1 4.383 0.030 . 1 . . . . 23 HIS HA . 11474 1 224 . 1 1 23 23 HIS HB2 H 1 3.134 0.030 . 2 . . . . 23 HIS HB2 . 11474 1 225 . 1 1 23 23 HIS HB3 H 1 3.046 0.030 . 2 . . . . 23 HIS HB3 . 11474 1 226 . 1 1 23 23 HIS HD2 H 1 6.974 0.030 . 1 . . . . 23 HIS HD2 . 11474 1 227 . 1 1 23 23 HIS HE1 H 1 7.376 0.030 . 1 . . . . 23 HIS HE1 . 11474 1 228 . 1 1 23 23 HIS C C 13 178.170 0.300 . 1 . . . . 23 HIS C . 11474 1 229 . 1 1 23 23 HIS CA C 13 59.052 0.300 . 1 . . . . 23 HIS CA . 11474 1 230 . 1 1 23 23 HIS CB C 13 29.162 0.300 . 1 . . . . 23 HIS CB . 11474 1 231 . 1 1 23 23 HIS CD2 C 13 119.450 0.300 . 1 . . . . 23 HIS CD2 . 11474 1 232 . 1 1 23 23 HIS CE1 C 13 138.866 0.300 . 1 . . . . 23 HIS CE1 . 11474 1 233 . 1 1 23 23 HIS N N 15 114.737 0.300 . 1 . . . . 23 HIS N . 11474 1 234 . 1 1 24 24 SER H H 1 6.481 0.030 . 1 . . . . 24 SER H . 11474 1 235 . 1 1 24 24 SER HA H 1 4.267 0.030 . 1 . . . . 24 SER HA . 11474 1 236 . 1 1 24 24 SER HB2 H 1 4.070 0.030 . 2 . . . . 24 SER HB2 . 11474 1 237 . 1 1 24 24 SER HB3 H 1 3.988 0.030 . 2 . . . . 24 SER HB3 . 11474 1 238 . 1 1 24 24 SER C C 13 176.621 0.300 . 1 . . . . 24 SER C . 11474 1 239 . 1 1 24 24 SER CA C 13 60.549 0.300 . 1 . . . . 24 SER CA . 11474 1 240 . 1 1 24 24 SER CB C 13 62.424 0.300 . 1 . . . . 24 SER CB . 11474 1 241 . 1 1 24 24 SER N N 15 118.148 0.300 . 1 . . . . 24 SER N . 11474 1 242 . 1 1 25 25 LEU H H 1 6.966 0.030 . 1 . . . . 25 LEU H . 11474 1 243 . 1 1 25 25 LEU HA H 1 3.061 0.030 . 1 . . . . 25 LEU HA . 11474 1 244 . 1 1 25 25 LEU HB2 H 1 1.888 0.030 . 2 . . . . 25 LEU HB2 . 11474 1 245 . 1 1 25 25 LEU HB3 H 1 1.161 0.030 . 2 . . . . 25 LEU HB3 . 11474 1 246 . 1 1 25 25 LEU HD11 H 1 1.070 0.030 . 1 . . . . 25 LEU HD1 . 11474 1 247 . 1 1 25 25 LEU HD12 H 1 1.070 0.030 . 1 . . . . 25 LEU HD1 . 11474 1 248 . 1 1 25 25 LEU HD13 H 1 1.070 0.030 . 1 . . . . 25 LEU HD1 . 11474 1 249 . 1 1 25 25 LEU HD21 H 1 0.999 0.030 . 1 . . . . 25 LEU HD2 . 11474 1 250 . 1 1 25 25 LEU HD22 H 1 0.999 0.030 . 1 . . . . 25 LEU HD2 . 11474 1 251 . 1 1 25 25 LEU HD23 H 1 0.999 0.030 . 1 . . . . 25 LEU HD2 . 11474 1 252 . 1 1 25 25 LEU HG H 1 1.529 0.030 . 1 . . . . 25 LEU HG . 11474 1 253 . 1 1 25 25 LEU C C 13 177.401 0.300 . 1 . . . . 25 LEU C . 11474 1 254 . 1 1 25 25 LEU CA C 13 57.754 0.300 . 1 . . . . 25 LEU CA . 11474 1 255 . 1 1 25 25 LEU CB C 13 40.199 0.300 . 1 . . . . 25 LEU CB . 11474 1 256 . 1 1 25 25 LEU CD1 C 13 26.670 0.300 . 2 . . . . 25 LEU CD1 . 11474 1 257 . 1 1 25 25 LEU CD2 C 13 22.662 0.300 . 2 . . . . 25 LEU CD2 . 11474 1 258 . 1 1 25 25 LEU CG C 13 27.739 0.300 . 1 . . . . 25 LEU CG . 11474 1 259 . 1 1 25 25 LEU N N 15 124.238 0.300 . 1 . . . . 25 LEU N . 11474 1 260 . 1 1 26 26 GLN H H 1 8.273 0.030 . 1 . . . . 26 GLN H . 11474 1 261 . 1 1 26 26 GLN HA H 1 3.832 0.030 . 1 . . . . 26 GLN HA . 11474 1 262 . 1 1 26 26 GLN HB2 H 1 2.103 0.030 . 2 . . . . 26 GLN HB2 . 11474 1 263 . 1 1 26 26 GLN HB3 H 1 2.037 0.030 . 2 . . . . 26 GLN HB3 . 11474 1 264 . 1 1 26 26 GLN HE21 H 1 7.454 0.030 . 2 . . . . 26 GLN HE21 . 11474 1 265 . 1 1 26 26 GLN HE22 H 1 6.914 0.030 . 2 . . . . 26 GLN HE22 . 11474 1 266 . 1 1 26 26 GLN HG2 H 1 2.422 0.030 . 2 . . . . 26 GLN HG2 . 11474 1 267 . 1 1 26 26 GLN HG3 H 1 2.330 0.030 . 2 . . . . 26 GLN HG3 . 11474 1 268 . 1 1 26 26 GLN C C 13 178.477 0.300 . 1 . . . . 26 GLN C . 11474 1 269 . 1 1 26 26 GLN CA C 13 59.424 0.300 . 1 . . . . 26 GLN CA . 11474 1 270 . 1 1 26 26 GLN CB C 13 28.290 0.300 . 1 . . . . 26 GLN CB . 11474 1 271 . 1 1 26 26 GLN CG C 13 34.122 0.300 . 1 . . . . 26 GLN CG . 11474 1 272 . 1 1 26 26 GLN N N 15 117.058 0.300 . 1 . . . . 26 GLN N . 11474 1 273 . 1 1 26 26 GLN NE2 N 15 111.869 0.300 . 1 . . . . 26 GLN NE2 . 11474 1 274 . 1 1 27 27 ALA H H 1 7.537 0.030 . 1 . . . . 27 ALA H . 11474 1 275 . 1 1 27 27 ALA HA H 1 4.091 0.030 . 1 . . . . 27 ALA HA . 11474 1 276 . 1 1 27 27 ALA HB1 H 1 1.456 0.030 . 1 . . . . 27 ALA HB . 11474 1 277 . 1 1 27 27 ALA HB2 H 1 1.456 0.030 . 1 . . . . 27 ALA HB . 11474 1 278 . 1 1 27 27 ALA HB3 H 1 1.456 0.030 . 1 . . . . 27 ALA HB . 11474 1 279 . 1 1 27 27 ALA C C 13 180.127 0.300 . 1 . . . . 27 ALA C . 11474 1 280 . 1 1 27 27 ALA CA C 13 54.735 0.300 . 1 . . . . 27 ALA CA . 11474 1 281 . 1 1 27 27 ALA CB C 13 18.158 0.300 . 1 . . . . 27 ALA CB . 11474 1 282 . 1 1 27 27 ALA N N 15 119.540 0.300 . 1 . . . . 27 ALA N . 11474 1 283 . 1 1 28 28 HIS H H 1 7.476 0.030 . 1 . . . . 28 HIS H . 11474 1 284 . 1 1 28 28 HIS HA H 1 4.213 0.030 . 1 . . . . 28 HIS HA . 11474 1 285 . 1 1 28 28 HIS HB2 H 1 3.161 0.030 . 2 . . . . 28 HIS HB2 . 11474 1 286 . 1 1 28 28 HIS HB3 H 1 2.906 0.030 . 2 . . . . 28 HIS HB3 . 11474 1 287 . 1 1 28 28 HIS HD2 H 1 7.100 0.030 . 1 . . . . 28 HIS HD2 . 11474 1 288 . 1 1 28 28 HIS HE1 H 1 8.078 0.030 . 1 . . . . 28 HIS HE1 . 11474 1 289 . 1 1 28 28 HIS C C 13 176.104 0.300 . 1 . . . . 28 HIS C . 11474 1 290 . 1 1 28 28 HIS CA C 13 59.151 0.300 . 1 . . . . 28 HIS CA . 11474 1 291 . 1 1 28 28 HIS CB C 13 28.612 0.300 . 1 . . . . 28 HIS CB . 11474 1 292 . 1 1 28 28 HIS CD2 C 13 127.514 0.300 . 1 . . . . 28 HIS CD2 . 11474 1 293 . 1 1 28 28 HIS CE1 C 13 139.506 0.300 . 1 . . . . 28 HIS CE1 . 11474 1 294 . 1 1 28 28 HIS N N 15 118.838 0.300 . 1 . . . . 28 HIS N . 11474 1 295 . 1 1 29 29 LEU H H 1 8.361 0.030 . 1 . . . . 29 LEU H . 11474 1 296 . 1 1 29 29 LEU HA H 1 3.853 0.030 . 1 . . . . 29 LEU HA . 11474 1 297 . 1 1 29 29 LEU HB2 H 1 1.952 0.030 . 2 . . . . 29 LEU HB2 . 11474 1 298 . 1 1 29 29 LEU HB3 H 1 1.591 0.030 . 2 . . . . 29 LEU HB3 . 11474 1 299 . 1 1 29 29 LEU HD11 H 1 1.462 0.030 . 1 . . . . 29 LEU HD1 . 11474 1 300 . 1 1 29 29 LEU HD12 H 1 1.462 0.030 . 1 . . . . 29 LEU HD1 . 11474 1 301 . 1 1 29 29 LEU HD13 H 1 1.462 0.030 . 1 . . . . 29 LEU HD1 . 11474 1 302 . 1 1 29 29 LEU HD21 H 1 1.079 0.030 . 1 . . . . 29 LEU HD2 . 11474 1 303 . 1 1 29 29 LEU HD22 H 1 1.079 0.030 . 1 . . . . 29 LEU HD2 . 11474 1 304 . 1 1 29 29 LEU HD23 H 1 1.079 0.030 . 1 . . . . 29 LEU HD2 . 11474 1 305 . 1 1 29 29 LEU HG H 1 2.053 0.030 . 1 . . . . 29 LEU HG . 11474 1 306 . 1 1 29 29 LEU C C 13 178.611 0.300 . 1 . . . . 29 LEU C . 11474 1 307 . 1 1 29 29 LEU CA C 13 58.179 0.300 . 1 . . . . 29 LEU CA . 11474 1 308 . 1 1 29 29 LEU CB C 13 42.468 0.300 . 1 . . . . 29 LEU CB . 11474 1 309 . 1 1 29 29 LEU CD1 C 13 25.032 0.300 . 2 . . . . 29 LEU CD1 . 11474 1 310 . 1 1 29 29 LEU CD2 C 13 25.834 0.300 . 2 . . . . 29 LEU CD2 . 11474 1 311 . 1 1 29 29 LEU CG C 13 27.352 0.300 . 1 . . . . 29 LEU CG . 11474 1 312 . 1 1 29 29 LEU N N 15 117.118 0.300 . 1 . . . . 29 LEU N . 11474 1 313 . 1 1 30 30 ARG H H 1 7.020 0.030 . 1 . . . . 30 ARG H . 11474 1 314 . 1 1 30 30 ARG HA H 1 4.093 0.030 . 1 . . . . 30 ARG HA . 11474 1 315 . 1 1 30 30 ARG HB2 H 1 1.880 0.030 . 2 . . . . 30 ARG HB2 . 11474 1 316 . 1 1 30 30 ARG HB3 H 1 1.794 0.030 . 2 . . . . 30 ARG HB3 . 11474 1 317 . 1 1 30 30 ARG HD2 H 1 3.226 0.030 . 1 . . . . 30 ARG HD2 . 11474 1 318 . 1 1 30 30 ARG HD3 H 1 3.226 0.030 . 1 . . . . 30 ARG HD3 . 11474 1 319 . 1 1 30 30 ARG HG2 H 1 1.805 0.030 . 2 . . . . 30 ARG HG2 . 11474 1 320 . 1 1 30 30 ARG HG3 H 1 1.659 0.030 . 2 . . . . 30 ARG HG3 . 11474 1 321 . 1 1 30 30 ARG C C 13 178.457 0.300 . 1 . . . . 30 ARG C . 11474 1 322 . 1 1 30 30 ARG CA C 13 58.503 0.300 . 1 . . . . 30 ARG CA . 11474 1 323 . 1 1 30 30 ARG CB C 13 30.050 0.300 . 1 . . . . 30 ARG CB . 11474 1 324 . 1 1 30 30 ARG CD C 13 43.380 0.300 . 1 . . . . 30 ARG CD . 11474 1 325 . 1 1 30 30 ARG CG C 13 27.624 0.300 . 1 . . . . 30 ARG CG . 11474 1 326 . 1 1 30 30 ARG N N 15 116.295 0.300 . 1 . . . . 30 ARG N . 11474 1 327 . 1 1 31 31 ILE H H 1 7.790 0.030 . 1 . . . . 31 ILE H . 11474 1 328 . 1 1 31 31 ILE HA H 1 3.965 0.030 . 1 . . . . 31 ILE HA . 11474 1 329 . 1 1 31 31 ILE HB H 1 1.665 0.030 . 1 . . . . 31 ILE HB . 11474 1 330 . 1 1 31 31 ILE HD11 H 1 0.638 0.030 . 1 . . . . 31 ILE HD1 . 11474 1 331 . 1 1 31 31 ILE HD12 H 1 0.638 0.030 . 1 . . . . 31 ILE HD1 . 11474 1 332 . 1 1 31 31 ILE HD13 H 1 0.638 0.030 . 1 . . . . 31 ILE HD1 . 11474 1 333 . 1 1 31 31 ILE HG12 H 1 0.907 0.030 . 2 . . . . 31 ILE HG12 . 11474 1 334 . 1 1 31 31 ILE HG13 H 1 0.561 0.030 . 2 . . . . 31 ILE HG13 . 11474 1 335 . 1 1 31 31 ILE HG21 H 1 0.575 0.030 . 1 . . . . 31 ILE HG2 . 11474 1 336 . 1 1 31 31 ILE HG22 H 1 0.575 0.030 . 1 . . . . 31 ILE HG2 . 11474 1 337 . 1 1 31 31 ILE HG23 H 1 0.575 0.030 . 1 . . . . 31 ILE HG2 . 11474 1 338 . 1 1 31 31 ILE C C 13 177.226 0.300 . 1 . . . . 31 ILE C . 11474 1 339 . 1 1 31 31 ILE CA C 13 62.987 0.300 . 1 . . . . 31 ILE CA . 11474 1 340 . 1 1 31 31 ILE CB C 13 37.487 0.300 . 1 . . . . 31 ILE CB . 11474 1 341 . 1 1 31 31 ILE CD1 C 13 14.428 0.300 . 1 . . . . 31 ILE CD1 . 11474 1 342 . 1 1 31 31 ILE CG1 C 13 26.426 0.300 . 1 . . . . 31 ILE CG1 . 11474 1 343 . 1 1 31 31 ILE CG2 C 13 16.508 0.300 . 1 . . . . 31 ILE CG2 . 11474 1 344 . 1 1 31 31 ILE N N 15 115.342 0.300 . 1 . . . . 31 ILE N . 11474 1 345 . 1 1 32 32 HIS H H 1 7.281 0.030 . 1 . . . . 32 HIS H . 11474 1 346 . 1 1 32 32 HIS HA H 1 4.619 0.030 . 1 . . . . 32 HIS HA . 11474 1 347 . 1 1 32 32 HIS HB2 H 1 2.566 0.030 . 2 . . . . 32 HIS HB2 . 11474 1 348 . 1 1 32 32 HIS HB3 H 1 2.282 0.030 . 2 . . . . 32 HIS HB3 . 11474 1 349 . 1 1 32 32 HIS HD2 H 1 6.677 0.030 . 1 . . . . 32 HIS HD2 . 11474 1 350 . 1 1 32 32 HIS HE1 H 1 8.040 0.030 . 1 . . . . 32 HIS HE1 . 11474 1 351 . 1 1 32 32 HIS C C 13 175.452 0.300 . 1 . . . . 32 HIS C . 11474 1 352 . 1 1 32 32 HIS CA C 13 55.283 0.300 . 1 . . . . 32 HIS CA . 11474 1 353 . 1 1 32 32 HIS CB C 13 28.489 0.300 . 1 . . . . 32 HIS CB . 11474 1 354 . 1 1 32 32 HIS CD2 C 13 128.535 0.300 . 1 . . . . 32 HIS CD2 . 11474 1 355 . 1 1 32 32 HIS CE1 C 13 140.081 0.300 . 1 . . . . 32 HIS CE1 . 11474 1 356 . 1 1 32 32 HIS N N 15 117.664 0.300 . 1 . . . . 32 HIS N . 11474 1 357 . 1 1 33 33 THR H H 1 7.633 0.030 . 1 . . . . 33 THR H . 11474 1 358 . 1 1 33 33 THR HA H 1 4.237 0.030 . 1 . . . . 33 THR HA . 11474 1 359 . 1 1 33 33 THR HB H 1 4.247 0.030 . 1 . . . . 33 THR HB . 11474 1 360 . 1 1 33 33 THR HG21 H 1 1.177 0.030 . 1 . . . . 33 THR HG2 . 11474 1 361 . 1 1 33 33 THR HG22 H 1 1.177 0.030 . 1 . . . . 33 THR HG2 . 11474 1 362 . 1 1 33 33 THR HG23 H 1 1.177 0.030 . 1 . . . . 33 THR HG2 . 11474 1 363 . 1 1 33 33 THR C C 13 174.371 0.300 . 1 . . . . 33 THR C . 11474 1 364 . 1 1 33 33 THR CA C 13 62.302 0.300 . 1 . . . . 33 THR CA . 11474 1 365 . 1 1 33 33 THR CB C 13 69.753 0.300 . 1 . . . . 33 THR CB . 11474 1 366 . 1 1 33 33 THR CG2 C 13 21.179 0.300 . 1 . . . . 33 THR CG2 . 11474 1 367 . 1 1 33 33 THR N N 15 111.487 0.300 . 1 . . . . 33 THR N . 11474 1 368 . 1 1 34 34 ASN H H 1 8.301 0.030 . 1 . . . . 34 ASN H . 11474 1 369 . 1 1 34 34 ASN HA H 1 4.685 0.030 . 1 . . . . 34 ASN HA . 11474 1 370 . 1 1 34 34 ASN HB2 H 1 2.874 0.030 . 2 . . . . 34 ASN HB2 . 11474 1 371 . 1 1 34 34 ASN HB3 H 1 2.736 0.030 . 2 . . . . 34 ASN HB3 . 11474 1 372 . 1 1 34 34 ASN HD21 H 1 7.568 0.030 . 2 . . . . 34 ASN HD21 . 11474 1 373 . 1 1 34 34 ASN HD22 H 1 6.828 0.030 . 2 . . . . 34 ASN HD22 . 11474 1 374 . 1 1 34 34 ASN C C 13 174.925 0.300 . 1 . . . . 34 ASN C . 11474 1 375 . 1 1 34 34 ASN CA C 13 53.574 0.300 . 1 . . . . 34 ASN CA . 11474 1 376 . 1 1 34 34 ASN CB C 13 38.719 0.300 . 1 . . . . 34 ASN CB . 11474 1 377 . 1 1 34 34 ASN N N 15 119.864 0.300 . 1 . . . . 34 ASN N . 11474 1 378 . 1 1 34 34 ASN ND2 N 15 112.737 0.300 . 1 . . . . 34 ASN ND2 . 11474 1 379 . 1 1 35 35 GLU H H 1 8.089 0.030 . 1 . . . . 35 GLU H . 11474 1 380 . 1 1 35 35 GLU HA H 1 4.243 0.030 . 1 . . . . 35 GLU HA . 11474 1 381 . 1 1 35 35 GLU HB2 H 1 2.047 0.030 . 2 . . . . 35 GLU HB2 . 11474 1 382 . 1 1 35 35 GLU HB3 H 1 1.890 0.030 . 2 . . . . 35 GLU HB3 . 11474 1 383 . 1 1 35 35 GLU HG2 H 1 2.230 0.030 . 1 . . . . 35 GLU HG2 . 11474 1 384 . 1 1 35 35 GLU HG3 H 1 2.230 0.030 . 1 . . . . 35 GLU HG3 . 11474 1 385 . 1 1 35 35 GLU C C 13 175.469 0.300 . 1 . . . . 35 GLU C . 11474 1 386 . 1 1 35 35 GLU CA C 13 56.812 0.300 . 1 . . . . 35 GLU CA . 11474 1 387 . 1 1 35 35 GLU CB C 13 30.413 0.300 . 1 . . . . 35 GLU CB . 11474 1 388 . 1 1 35 35 GLU CG C 13 36.332 0.300 . 1 . . . . 35 GLU CG . 11474 1 389 . 1 1 35 35 GLU N N 15 120.865 0.300 . 1 . . . . 35 GLU N . 11474 1 390 . 1 1 36 36 LYS H H 1 7.926 0.030 . 1 . . . . 36 LYS H . 11474 1 391 . 1 1 36 36 LYS HA H 1 4.135 0.030 . 1 . . . . 36 LYS HA . 11474 1 392 . 1 1 36 36 LYS HB2 H 1 1.812 0.030 . 2 . . . . 36 LYS HB2 . 11474 1 393 . 1 1 36 36 LYS HB3 H 1 1.708 0.030 . 2 . . . . 36 LYS HB3 . 11474 1 394 . 1 1 36 36 LYS HD2 H 1 1.664 0.030 . 1 . . . . 36 LYS HD2 . 11474 1 395 . 1 1 36 36 LYS HD3 H 1 1.664 0.030 . 1 . . . . 36 LYS HD3 . 11474 1 396 . 1 1 36 36 LYS HE2 H 1 2.987 0.030 . 1 . . . . 36 LYS HE2 . 11474 1 397 . 1 1 36 36 LYS HE3 H 1 2.987 0.030 . 1 . . . . 36 LYS HE3 . 11474 1 398 . 1 1 36 36 LYS HG2 H 1 1.382 0.030 . 1 . . . . 36 LYS HG2 . 11474 1 399 . 1 1 36 36 LYS HG3 H 1 1.382 0.030 . 1 . . . . 36 LYS HG3 . 11474 1 400 . 1 1 36 36 LYS C C 13 181.349 0.300 . 1 . . . . 36 LYS C . 11474 1 401 . 1 1 36 36 LYS CA C 13 57.698 0.300 . 1 . . . . 36 LYS CA . 11474 1 402 . 1 1 36 36 LYS CB C 13 33.692 0.300 . 1 . . . . 36 LYS CB . 11474 1 403 . 1 1 36 36 LYS CD C 13 29.142 0.300 . 1 . . . . 36 LYS CD . 11474 1 404 . 1 1 36 36 LYS CE C 13 42.332 0.300 . 1 . . . . 36 LYS CE . 11474 1 405 . 1 1 36 36 LYS CG C 13 24.632 0.300 . 1 . . . . 36 LYS CG . 11474 1 406 . 1 1 36 36 LYS N N 15 127.102 0.300 . 1 . . . . 36 LYS N . 11474 1 stop_ save_