################################### # 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 18980 _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 2 '3D HNCACB' . . . 18980 1 3 '2D DQF-COSY' . . . 18980 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 1 1 ILE HA H 1 4.126 0.02 . 1 . . . A 1 ILE HA . 18980 1 2 . 1 1 1 1 ILE HB H 1 1.769 0.02 . 1 . . . A 1 ILE HB . 18980 1 3 . 1 1 1 1 ILE HG12 H 1 1.151 0.02 . 2 . . . A 1 ILE HG12 . 18980 1 4 . 1 1 1 1 ILE HG13 H 1 1.431 0.02 . 2 . . . A 1 ILE HG13 . 18980 1 5 . 1 1 1 1 ILE HG21 H 1 0.857 0.02 . 1 . . . A 1 ILE HG21 . 18980 1 6 . 1 1 1 1 ILE HG22 H 1 0.857 0.02 . 1 . . . A 1 ILE HG22 . 18980 1 7 . 1 1 1 1 ILE HG23 H 1 0.857 0.02 . 1 . . . A 1 ILE HG23 . 18980 1 8 . 1 1 1 1 ILE HD11 H 1 0.813 0.02 . 1 . . . A 1 ILE HD11 . 18980 1 9 . 1 1 1 1 ILE HD12 H 1 0.813 0.02 . 1 . . . A 1 ILE HD12 . 18980 1 10 . 1 1 1 1 ILE HD13 H 1 0.813 0.02 . 1 . . . A 1 ILE HD13 . 18980 1 11 . 1 1 1 1 ILE CA C 13 58.309 0.3 . 1 . . . A 1 ILE CA . 18980 1 12 . 1 1 1 1 ILE CB C 13 35.811 0.3 . 1 . . . A 1 ILE CB . 18980 1 13 . 1 1 1 1 ILE CG1 C 13 24.492 0.3 . 1 . . . A 1 ILE CG1 . 18980 1 14 . 1 1 1 1 ILE CG2 C 13 14.397 0.3 . 1 . . . A 1 ILE CG2 . 18980 1 15 . 1 1 2 2 GLN H H 1 8.503 0.02 . 1 . . . A 2 GLN H . 18980 1 16 . 1 1 2 2 GLN HA H 1 4.309 0.02 . 1 . . . A 2 GLN HA . 18980 1 17 . 1 1 2 2 GLN HB2 H 1 1.921 0.02 . 2 . . . A 2 GLN HB2 . 18980 1 18 . 1 1 2 2 GLN HB3 H 1 1.921 0.02 . 2 . . . A 2 GLN HB3 . 18980 1 19 . 1 1 2 2 GLN HG2 H 1 2.293 0.02 . 2 . . . A 2 GLN HG2 . 18980 1 20 . 1 1 2 2 GLN HG3 H 1 2.293 0.02 . 2 . . . A 2 GLN HG3 . 18980 1 21 . 1 1 2 2 GLN CA C 13 52.755 0.3 . 1 . . . A 2 GLN CA . 18980 1 22 . 1 1 2 2 GLN CB C 13 26.728 0.3 . 1 . . . A 2 GLN CB . 18980 1 23 . 1 1 2 2 GLN N N 15 125.073 0.3 . 1 . . . A 2 GLN N . 18980 1 24 . 1 1 3 3 LYS H H 1 8.414 0.02 . 1 . . . A 3 LYS H . 18980 1 25 . 1 1 3 3 LYS HA H 1 4.271 0.02 . 1 . . . A 3 LYS HA . 18980 1 26 . 1 1 3 3 LYS HB2 H 1 1.798 0.02 . 2 . . . A 3 LYS HB2 . 18980 1 27 . 1 1 3 3 LYS HB3 H 1 1.798 0.02 . 2 . . . A 3 LYS HB3 . 18980 1 28 . 1 1 3 3 LYS HG2 H 1 1.399 0.02 . 2 . . . A 3 LYS HG2 . 18980 1 29 . 1 1 3 3 LYS HG3 H 1 1.399 0.02 . 2 . . . A 3 LYS HG3 . 18980 1 30 . 1 1 3 3 LYS HD2 H 1 1.698 0.02 . 2 . . . A 3 LYS HD2 . 18980 1 31 . 1 1 3 3 LYS HD3 H 1 1.698 0.02 . 2 . . . A 3 LYS HD3 . 18980 1 32 . 1 1 3 3 LYS HE2 H 1 2.927 0.02 . 2 . . . A 3 LYS HE2 . 18980 1 33 . 1 1 3 3 LYS HE3 H 1 2.927 0.02 . 2 . . . A 3 LYS HE3 . 18980 1 34 . 1 1 3 3 LYS CA C 13 53.658 0.3 . 1 . . . A 3 LYS CA . 18980 1 35 . 1 1 3 3 LYS CB C 13 30.442 0.3 . 1 . . . A 3 LYS CB . 18980 1 36 . 1 1 3 3 LYS CG C 13 21.962 0.3 . 1 . . . A 3 LYS CG . 18980 1 37 . 1 1 3 3 LYS N N 15 123.202 0.3 . 1 . . . A 3 LYS N . 18980 1 38 . 1 1 4 4 GLY H H 1 8.394 0.02 . 1 . . . A 4 GLY H . 18980 1 39 . 1 1 4 4 GLY HA2 H 1 3.855 0.02 . 1 . . . A 4 GLY HA2 . 18980 1 40 . 1 1 4 4 GLY HA3 H 1 3.855 0.02 . 1 . . . A 4 GLY HA3 . 18980 1 41 . 1 1 4 4 GLY CA C 13 42.455 0.3 . 1 . . . A 4 GLY CA . 18980 1 42 . 1 1 4 4 GLY N N 15 109.574 0.3 . 1 . . . A 4 GLY N . 18980 1 43 . 1 1 5 5 ASN H H 1 8.240 0.02 . 1 . . . A 5 ASN H . 18980 1 44 . 1 1 5 5 ASN HA H 1 4.625 0.02 . 1 . . . A 5 ASN HA . 18980 1 45 . 1 1 5 5 ASN HB2 H 1 2.705 0.02 . 2 . . . A 5 ASN HB2 . 18980 1 46 . 1 1 5 5 ASN HB3 H 1 2.615 0.02 . 2 . . . A 5 ASN HB3 . 18980 1 47 . 1 1 5 5 ASN HD21 H 1 6.763 0.02 . 2 . . . A 5 ASN HD21 . 18980 1 48 . 1 1 5 5 ASN HD22 H 1 7.458 0.02 . 2 . . . A 5 ASN HD22 . 18980 1 49 . 1 1 5 5 ASN CA C 13 50.146 0.3 . 1 . . . A 5 ASN CA . 18980 1 50 . 1 1 5 5 ASN CB C 13 36.059 0.3 . 1 . . . A 5 ASN CB . 18980 1 51 . 1 1 5 5 ASN N N 15 118.311 0.3 . 1 . . . A 5 ASN N . 18980 1 52 . 1 1 5 5 ASN ND2 N 15 112.514 0.3 . 1 . . . A 5 ASN ND2 . 18980 1 53 . 1 1 6 6 PHE H H 1 8.164 0.02 . 1 . . . A 6 PHE H . 18980 1 54 . 1 1 6 6 PHE HA H 1 4.541 0.02 . 1 . . . A 6 PHE HA . 18980 1 55 . 1 1 6 6 PHE HB2 H 1 3.111 0.02 . 2 . . . A 6 PHE HB2 . 18980 1 56 . 1 1 6 6 PHE HB3 H 1 2.979 0.02 . 2 . . . A 6 PHE HB3 . 18980 1 57 . 1 1 6 6 PHE HD1 H 1 7.177 0.02 . 3 . . . A 6 PHE HD1 . 18980 1 58 . 1 1 6 6 PHE HD2 H 1 7.177 0.02 . 3 . . . A 6 PHE HD2 . 18980 1 59 . 1 1 6 6 PHE HE1 H 1 7.284 0.02 . 3 . . . A 6 PHE HE1 . 18980 1 60 . 1 1 6 6 PHE HE2 H 1 7.284 0.02 . 3 . . . A 6 PHE HE2 . 18980 1 61 . 1 1 6 6 PHE HZ H 1 7.243 0.02 . 1 . . . A 6 PHE HZ . 18980 1 62 . 1 1 6 6 PHE CA C 13 55.112 0.3 . 1 . . . A 6 PHE CA . 18980 1 63 . 1 1 6 6 PHE CB C 13 36.457 0.3 . 1 . . . A 6 PHE CB . 18980 1 64 . 1 1 6 6 PHE N N 15 120.460 0.3 . 1 . . . A 6 PHE N . 18980 1 65 . 1 1 7 7 ARG H H 1 8.184 0.02 . 1 . . . A 7 ARG H . 18980 1 66 . 1 1 7 7 ARG HA H 1 4.193 0.02 . 1 . . . A 7 ARG HA . 18980 1 67 . 1 1 7 7 ARG HB2 H 1 1.688 0.02 . 2 . . . A 7 ARG HB2 . 18980 1 68 . 1 1 7 7 ARG HB3 H 1 1.688 0.02 . 2 . . . A 7 ARG HB3 . 18980 1 69 . 1 1 7 7 ARG HG2 H 1 1.552 0.02 . 2 . . . A 7 ARG HG2 . 18980 1 70 . 1 1 7 7 ARG HG3 H 1 1.552 0.02 . 2 . . . A 7 ARG HG3 . 18980 1 71 . 1 1 7 7 ARG HD2 H 1 3.114 0.02 . 2 . . . A 7 ARG HD2 . 18980 1 72 . 1 1 7 7 ARG HD3 H 1 3.114 0.02 . 2 . . . A 7 ARG HD3 . 18980 1 73 . 1 1 7 7 ARG CA C 13 53.586 0.3 . 1 . . . A 7 ARG CA . 18980 1 74 . 1 1 7 7 ARG CB C 13 27.788 0.3 . 1 . . . A 7 ARG CB . 18980 1 75 . 1 1 7 7 ARG CG C 13 24.293 0.3 . 1 . . . A 7 ARG CG . 18980 1 76 . 1 1 7 7 ARG CD C 13 42.345 0.3 . 1 . . . A 7 ARG CD . 18980 1 77 . 1 1 7 7 ARG N N 15 121.606 0.3 . 1 . . . A 7 ARG N . 18980 1 78 . 1 1 8 8 ASN H H 1 8.294 0.02 . 1 . . . A 8 ASN H . 18980 1 79 . 1 1 8 8 ASN HA H 1 4.570 0.02 . 1 . . . A 8 ASN HA . 18980 1 80 . 1 1 8 8 ASN HB2 H 1 2.776 0.02 . 2 . . . A 8 ASN HB2 . 18980 1 81 . 1 1 8 8 ASN HB3 H 1 2.682 0.02 . 2 . . . A 8 ASN HB3 . 18980 1 82 . 1 1 8 8 ASN HD21 H 1 6.881 0.02 . 2 . . . A 8 ASN HD21 . 18980 1 83 . 1 1 8 8 ASN HD22 H 1 7.587 0.02 . 2 . . . A 8 ASN HD22 . 18980 1 84 . 1 1 8 8 ASN CA C 13 50.518 0.3 . 1 . . . A 8 ASN CA . 18980 1 85 . 1 1 8 8 ASN CB C 13 35.894 0.3 . 1 . . . A 8 ASN CB . 18980 1 86 . 1 1 8 8 ASN N N 15 118.773 0.3 . 1 . . . A 8 ASN N . 18980 1 87 . 1 1 8 8 ASN ND2 N 15 112.443 0.3 . 1 . . . A 8 ASN ND2 . 18980 1 88 . 1 1 9 9 GLN H H 1 8.218 0.02 . 1 . . . A 9 GLN H . 18980 1 89 . 1 1 9 9 GLN HA H 1 4.245 0.02 . 1 . . . A 9 GLN HA . 18980 1 90 . 1 1 9 9 GLN HB2 H 1 2.044 0.02 . 2 . . . A 9 GLN HB2 . 18980 1 91 . 1 1 9 9 GLN HB3 H 1 1.918 0.02 . 2 . . . A 9 GLN HB3 . 18980 1 92 . 1 1 9 9 GLN HG2 H 1 2.290 0.02 . 2 . . . A 9 GLN HG2 . 18980 1 93 . 1 1 9 9 GLN HG3 H 1 2.290 0.02 . 2 . . . A 9 GLN HG3 . 18980 1 94 . 1 1 9 9 GLN HE21 H 1 6.804 0.02 . 2 . . . A 9 GLN HE21 . 18980 1 95 . 1 1 9 9 GLN HE22 H 1 7.455 0.02 . 2 . . . A 9 GLN HE22 . 18980 1 96 . 1 1 9 9 GLN CA C 13 53.202 0.3 . 1 . . . A 9 GLN CA . 18980 1 97 . 1 1 9 9 GLN CB C 13 26.688 0.3 . 1 . . . A 9 GLN CB . 18980 1 98 . 1 1 9 9 GLN CG C 13 31.267 0.3 . 1 . . . A 9 GLN CG . 18980 1 99 . 1 1 9 9 GLN N N 15 120.522 0.3 . 1 . . . A 9 GLN N . 18980 1 100 . 1 1 9 9 GLN NE2 N 15 112.060 0.3 . 1 . . . A 9 GLN NE2 . 18980 1 101 . 1 1 10 10 ARG H H 1 8.273 0.02 . 1 . . . A 10 ARG H . 18980 1 102 . 1 1 10 10 ARG HA H 1 4.244 0.02 . 1 . . . A 10 ARG HA . 18980 1 103 . 1 1 10 10 ARG HB2 H 1 1.764 0.02 . 2 . . . A 10 ARG HB2 . 18980 1 104 . 1 1 10 10 ARG HB3 H 1 1.677 0.02 . 2 . . . A 10 ARG HB3 . 18980 1 105 . 1 1 10 10 ARG HG2 H 1 1.546 0.02 . 2 . . . A 10 ARG HG2 . 18980 1 106 . 1 1 10 10 ARG HG3 H 1 1.546 0.02 . 2 . . . A 10 ARG HG3 . 18980 1 107 . 1 1 10 10 ARG HD2 H 1 3.131 0.02 . 2 . . . A 10 ARG HD2 . 18980 1 108 . 1 1 10 10 ARG HD3 H 1 3.131 0.02 . 2 . . . A 10 ARG HD3 . 18980 1 109 . 1 1 10 10 ARG CA C 13 53.208 0.3 . 1 . . . A 10 ARG CA . 18980 1 110 . 1 1 10 10 ARG CB C 13 27.939 0.3 . 1 . . . A 10 ARG CB . 18980 1 111 . 1 1 10 10 ARG CG C 13 24.349 0.3 . 1 . . . A 10 ARG CG . 18980 1 112 . 1 1 10 10 ARG CD C 13 40.408 0.3 . 1 . . . A 10 ARG CD . 18980 1 113 . 1 1 10 10 ARG N N 15 121.826 0.3 . 1 . . . A 10 ARG N . 18980 1 114 . 1 1 11 11 LYS H H 1 8.299 0.02 . 1 . . . A 11 LYS H . 18980 1 115 . 1 1 11 11 LYS HA H 1 4.263 0.02 . 1 . . . A 11 LYS HA . 18980 1 116 . 1 1 11 11 LYS HB2 H 1 1.730 0.02 . 2 . . . A 11 LYS HB2 . 18980 1 117 . 1 1 11 11 LYS HB3 H 1 1.730 0.02 . 2 . . . A 11 LYS HB3 . 18980 1 118 . 1 1 11 11 LYS HG2 H 1 1.345 0.02 . 2 . . . A 11 LYS HG2 . 18980 1 119 . 1 1 11 11 LYS HG3 H 1 1.345 0.02 . 2 . . . A 11 LYS HG3 . 18980 1 120 . 1 1 11 11 LYS HD2 H 1 1.585 0.02 . 2 . . . A 11 LYS HD2 . 18980 1 121 . 1 1 11 11 LYS HD3 H 1 1.585 0.02 . 2 . . . A 11 LYS HD3 . 18980 1 122 . 1 1 11 11 LYS HE2 H 1 2.915 0.02 . 2 . . . A 11 LYS HE2 . 18980 1 123 . 1 1 11 11 LYS HE3 H 1 2.915 0.02 . 2 . . . A 11 LYS HE3 . 18980 1 124 . 1 1 11 11 LYS CA C 13 53.578 0.3 . 1 . . . A 11 LYS CA . 18980 1 125 . 1 1 11 11 LYS CB C 13 30.323 0.3 . 1 . . . A 11 LYS CB . 18980 1 126 . 1 1 11 11 LYS CG C 13 21.890 0.3 . 1 . . . A 11 LYS CG . 18980 1 127 . 1 1 11 11 LYS CE C 13 39.242 0.3 . 1 . . . A 11 LYS CE . 18980 1 128 . 1 1 11 11 LYS N N 15 122.737 0.3 . 1 . . . A 11 LYS N . 18980 1 129 . 1 1 12 12 THR H H 1 8.088 0.02 . 1 . . . A 12 THR H . 18980 1 130 . 1 1 12 12 THR HA H 1 4.254 0.02 . 1 . . . A 12 THR HA . 18980 1 131 . 1 1 12 12 THR HB H 1 3.990 0.02 . 1 . . . A 12 THR HB . 18980 1 132 . 1 1 12 12 THR HG21 H 1 1.064 0.02 . 1 . . . A 12 THR HG21 . 18980 1 133 . 1 1 12 12 THR HG22 H 1 1.064 0.02 . 1 . . . A 12 THR HG22 . 18980 1 134 . 1 1 12 12 THR HG23 H 1 1.064 0.02 . 1 . . . A 12 THR HG23 . 18980 1 135 . 1 1 12 12 THR CA C 13 58.726 0.3 . 1 . . . A 12 THR CA . 18980 1 136 . 1 1 12 12 THR CB C 13 66.915 0.3 . 1 . . . A 12 THR CB . 18980 1 137 . 1 1 12 12 THR CG2 C 13 18.619 0.3 . 1 . . . A 12 THR CG2 . 18980 1 138 . 1 1 12 12 THR N N 15 116.442 0.3 . 1 . . . A 12 THR N . 18980 1 139 . 1 1 13 13 VAL H H 1 8.209 0.02 . 1 . . . A 13 VAL H . 18980 1 140 . 1 1 13 13 VAL HA H 1 4.021 0.02 . 1 . . . A 13 VAL HA . 18980 1 141 . 1 1 13 13 VAL HB H 1 1.558 0.02 . 1 . . . A 13 VAL HB . 18980 1 142 . 1 1 13 13 VAL HG11 H 1 0.349 0.02 . 1 . . . A 13 VAL HG11 . 18980 1 143 . 1 1 13 13 VAL HG12 H 1 0.349 0.02 . 1 . . . A 13 VAL HG12 . 18980 1 144 . 1 1 13 13 VAL HG13 H 1 0.349 0.02 . 1 . . . A 13 VAL HG13 . 18980 1 145 . 1 1 13 13 VAL HG21 H 1 0.297 0.02 . 1 . . . A 13 VAL HG21 . 18980 1 146 . 1 1 13 13 VAL HG22 H 1 0.297 0.02 . 1 . . . A 13 VAL HG22 . 18980 1 147 . 1 1 13 13 VAL HG23 H 1 0.297 0.02 . 1 . . . A 13 VAL HG23 . 18980 1 148 . 1 1 13 13 VAL CA C 13 58.497 0.3 . 1 . . . A 13 VAL CA . 18980 1 149 . 1 1 13 13 VAL CB C 13 30.485 0.3 . 1 . . . A 13 VAL CB . 18980 1 150 . 1 1 13 13 VAL CG1 C 13 16.693 0.3 . 1 . . . A 13 VAL CG1 . 18980 1 151 . 1 1 13 13 VAL CG2 C 13 17.711 0.3 . 1 . . . A 13 VAL CG2 . 18980 1 152 . 1 1 13 13 VAL N N 15 122.626 0.3 . 1 . . . A 13 VAL N . 18980 1 153 . 1 1 14 14 LYS H H 1 8.012 0.02 . 1 . . . A 14 LYS H . 18980 1 154 . 1 1 14 14 LYS HA H 1 4.412 0.02 . 1 . . . A 14 LYS HA . 18980 1 155 . 1 1 14 14 LYS HB2 H 1 1.482 0.02 . 1 . . . A 14 LYS HB2 . 18980 1 156 . 1 1 14 14 LYS HB3 H 1 1.411 0.02 . 1 . . . A 14 LYS HB3 . 18980 1 157 . 1 1 14 14 LYS HG2 H 1 1.143 0.02 . 1 . . . A 14 LYS HG2 . 18980 1 158 . 1 1 14 14 LYS HG3 H 1 1.014 0.02 . 1 . . . A 14 LYS HG3 . 18980 1 159 . 1 1 14 14 LYS HD2 H 1 1.594 0.02 . 2 . . . A 14 LYS HD2 . 18980 1 160 . 1 1 14 14 LYS HD3 H 1 1.594 0.02 . 2 . . . A 14 LYS HD3 . 18980 1 161 . 1 1 14 14 LYS HE2 H 1 2.905 0.02 . 2 . . . A 14 LYS HE2 . 18980 1 162 . 1 1 14 14 LYS HE3 H 1 2.905 0.02 . 2 . . . A 14 LYS HE3 . 18980 1 163 . 1 1 14 14 LYS CA C 13 51.599 0.3 . 1 . . . A 14 LYS CA . 18980 1 164 . 1 1 14 14 LYS CB C 13 31.540 0.3 . 1 . . . A 14 LYS CB . 18980 1 165 . 1 1 14 14 LYS CG C 13 22.320 0.3 . 1 . . . A 14 LYS CG . 18980 1 166 . 1 1 14 14 LYS CD C 13 26.433 0.3 . 1 . . . A 14 LYS CD . 18980 1 167 . 1 1 14 14 LYS N N 15 123.504 0.3 . 1 . . . A 14 LYS N . 18980 1 168 . 1 1 15 15 CYS H H 1 8.256 0.02 . 1 . . . A 15 CYS H . 18980 1 169 . 1 1 15 15 CYS HA H 1 4.215 0.02 . 1 . . . A 15 CYS HA . 18980 1 170 . 1 1 15 15 CYS HB2 H 1 2.672 0.02 . 1 . . . A 15 CYS HB2 . 18980 1 171 . 1 1 15 15 CYS HB3 H 1 1.761 0.02 . 1 . . . A 15 CYS HB3 . 18980 1 172 . 1 1 15 15 CYS CA C 13 56.967 0.3 . 1 . . . A 15 CYS CA . 18980 1 173 . 1 1 15 15 CYS CB C 13 27.829 0.3 . 1 . . . A 15 CYS CB . 18980 1 174 . 1 1 15 15 CYS N N 15 129.731 0.3 . 1 . . . A 15 CYS N . 18980 1 175 . 1 1 16 16 PHE H H 1 9.299 0.02 . 1 . . . A 16 PHE H . 18980 1 176 . 1 1 16 16 PHE HA H 1 4.615 0.02 . 1 . . . A 16 PHE HA . 18980 1 177 . 1 1 16 16 PHE HB2 H 1 3.513 0.02 . 1 . . . A 16 PHE HB2 . 18980 1 178 . 1 1 16 16 PHE HB3 H 1 2.589 0.02 . 1 . . . A 16 PHE HB3 . 18980 1 179 . 1 1 16 16 PHE HD1 H 1 6.652 0.02 . 3 . . . A 16 PHE HD1 . 18980 1 180 . 1 1 16 16 PHE HD2 H 1 6.652 0.02 . 3 . . . A 16 PHE HD2 . 18980 1 181 . 1 1 16 16 PHE HE1 H 1 7.155 0.02 . 3 . . . A 16 PHE HE1 . 18980 1 182 . 1 1 16 16 PHE HE2 H 1 7.155 0.02 . 3 . . . A 16 PHE HE2 . 18980 1 183 . 1 1 16 16 PHE HZ H 1 6.929 0.02 . 1 . . . A 16 PHE HZ . 18980 1 184 . 1 1 16 16 PHE CA C 13 56.137 0.3 . 1 . . . A 16 PHE CA . 18980 1 185 . 1 1 16 16 PHE CB C 13 37.103 0.3 . 1 . . . A 16 PHE CB . 18980 1 186 . 1 1 16 16 PHE N N 15 128.836 0.3 . 1 . . . A 16 PHE N . 18980 1 187 . 1 1 17 17 ASN H H 1 9.156 0.02 . 1 . . . A 17 ASN H . 18980 1 188 . 1 1 17 17 ASN HA H 1 3.816 0.02 . 1 . . . A 17 ASN HA . 18980 1 189 . 1 1 17 17 ASN HB2 H 1 2.420 0.02 . 1 . . . A 17 ASN HB2 . 18980 1 190 . 1 1 17 17 ASN HB3 H 1 0.799 0.02 . 1 . . . A 17 ASN HB3 . 18980 1 191 . 1 1 17 17 ASN HD21 H 1 7.984 0.02 . 1 . . . A 17 ASN HD21 . 18980 1 192 . 1 1 17 17 ASN HD22 H 1 6.372 0.02 . 1 . . . A 17 ASN HD22 . 18980 1 193 . 1 1 17 17 ASN CA C 13 53.075 0.3 . 1 . . . A 17 ASN CA . 18980 1 194 . 1 1 17 17 ASN CB C 13 36.212 0.3 . 1 . . . A 17 ASN CB . 18980 1 195 . 1 1 17 17 ASN N N 15 118.280 0.3 . 1 . . . A 17 ASN N . 18980 1 196 . 1 1 17 17 ASN ND2 N 15 115.237 0.3 . 1 . . . A 17 ASN ND2 . 18980 1 197 . 1 1 18 18 CYS H H 1 8.489 0.02 . 1 . . . A 18 CYS H . 18980 1 198 . 1 1 18 18 CYS HA H 1 4.696 0.02 . 1 . . . A 18 CYS HA . 18980 1 199 . 1 1 18 18 CYS HB2 H 1 3.168 0.02 . 1 . . . A 18 CYS HB2 . 18980 1 200 . 1 1 18 18 CYS HB3 H 1 2.341 0.02 . 1 . . . A 18 CYS HB3 . 18980 1 201 . 1 1 18 18 CYS CA C 13 56.126 0.3 . 1 . . . A 18 CYS CA . 18980 1 202 . 1 1 18 18 CYS CB C 13 29.066 0.3 . 1 . . . A 18 CYS CB . 18980 1 203 . 1 1 18 18 CYS N N 15 116.876 0.3 . 1 . . . A 18 CYS N . 18980 1 204 . 1 1 19 19 GLY H H 1 7.703 0.02 . 1 . . . A 19 GLY H . 18980 1 205 . 1 1 19 19 GLY HA2 H 1 4.067 0.02 . 1 . . . A 19 GLY HA2 . 18980 1 206 . 1 1 19 19 GLY HA3 H 1 3.811 0.02 . 1 . . . A 19 GLY HA3 . 18980 1 207 . 1 1 19 19 GLY CA C 13 43.589 0.3 . 1 . . . A 19 GLY CA . 18980 1 208 . 1 1 19 19 GLY N N 15 112.394 0.3 . 1 . . . A 19 GLY N . 18980 1 209 . 1 1 20 20 LYS H H 1 8.162 0.02 . 1 . . . A 20 LYS H . 18980 1 210 . 1 1 20 20 LYS HA H 1 4.364 0.02 . 1 . . . A 20 LYS HA . 18980 1 211 . 1 1 20 20 LYS HB2 H 1 1.820 0.02 . 2 . . . A 20 LYS HB2 . 18980 1 212 . 1 1 20 20 LYS HB3 H 1 1.820 0.02 . 2 . . . A 20 LYS HB3 . 18980 1 213 . 1 1 20 20 LYS HG2 H 1 1.554 0.02 . 2 . . . A 20 LYS HG2 . 18980 1 214 . 1 1 20 20 LYS HG3 H 1 1.447 0.02 . 2 . . . A 20 LYS HG3 . 18980 1 215 . 1 1 20 20 LYS HD2 H 1 1.674 0.02 . 2 . . . A 20 LYS HD2 . 18980 1 216 . 1 1 20 20 LYS HD3 H 1 1.674 0.02 . 2 . . . A 20 LYS HD3 . 18980 1 217 . 1 1 20 20 LYS HE2 H 1 2.970 0.02 . 2 . . . A 20 LYS HE2 . 18980 1 218 . 1 1 20 20 LYS HE3 H 1 2.970 0.02 . 2 . . . A 20 LYS HE3 . 18980 1 219 . 1 1 20 20 LYS CA C 13 53.066 0.3 . 1 . . . A 20 LYS CA . 18980 1 220 . 1 1 20 20 LYS CB C 13 30.653 0.3 . 1 . . . A 20 LYS CB . 18980 1 221 . 1 1 20 20 LYS CG C 13 22.903 0.3 . 1 . . . A 20 LYS CG . 18980 1 222 . 1 1 20 20 LYS CD C 13 25.667 0.3 . 1 . . . A 20 LYS CD . 18980 1 223 . 1 1 20 20 LYS CE C 13 39.215 0.3 . 1 . . . A 20 LYS CE . 18980 1 224 . 1 1 20 20 LYS N N 15 120.951 0.3 . 1 . . . A 20 LYS N . 18980 1 225 . 1 1 21 21 GLU H H 1 8.454 0.02 . 1 . . . A 21 GLU H . 18980 1 226 . 1 1 21 21 GLU HA H 1 4.602 0.02 . 1 . . . A 21 GLU HA . 18980 1 227 . 1 1 21 21 GLU HB2 H 1 1.837 0.02 . 2 . . . A 21 GLU HB2 . 18980 1 228 . 1 1 21 21 GLU HB3 H 1 1.837 0.02 . 2 . . . A 21 GLU HB3 . 18980 1 229 . 1 1 21 21 GLU HG2 H 1 2.198 0.02 . 2 . . . A 21 GLU HG2 . 18980 1 230 . 1 1 21 21 GLU HG3 H 1 2.065 0.02 . 2 . . . A 21 GLU HG3 . 18980 1 231 . 1 1 21 21 GLU CA C 13 53.327 0.3 . 1 . . . A 21 GLU CA . 18980 1 232 . 1 1 21 21 GLU CB C 13 28.049 0.3 . 1 . . . A 21 GLU CB . 18980 1 233 . 1 1 21 21 GLU CG C 13 35.622 0.3 . 1 . . . A 21 GLU CG . 18980 1 234 . 1 1 21 21 GLU N N 15 119.095 0.3 . 1 . . . A 21 GLU N . 18980 1 235 . 1 1 22 22 GLY H H 1 8.639 0.02 . 1 . . . A 22 GLY H . 18980 1 236 . 1 1 22 22 GLY HA2 H 1 4.371 0.02 . 1 . . . A 22 GLY HA2 . 18980 1 237 . 1 1 22 22 GLY HA3 H 1 3.652 0.02 . 1 . . . A 22 GLY HA3 . 18980 1 238 . 1 1 22 22 GLY CA C 13 42.965 0.3 . 1 . . . A 22 GLY CA . 18980 1 239 . 1 1 22 22 GLY N N 15 107.727 0.3 . 1 . . . A 22 GLY N . 18980 1 240 . 1 1 23 23 HIS H H 1 6.992 0.02 . 1 . . . A 23 HIS H . 18980 1 241 . 1 1 23 23 HIS HA H 1 4.613 0.02 . 1 . . . A 23 HIS HA . 18980 1 242 . 1 1 23 23 HIS HB2 H 1 3.036 0.02 . 2 . . . A 23 HIS HB2 . 18980 1 243 . 1 1 23 23 HIS HB3 H 1 3.036 0.02 . 2 . . . A 23 HIS HB3 . 18980 1 244 . 1 1 23 23 HIS HD2 H 1 6.722 0.02 . 1 . . . A 23 HIS HD2 . 18980 1 245 . 1 1 23 23 HIS HE1 H 1 7.300 0.02 . 1 . . . A 23 HIS HE1 . 18980 1 246 . 1 1 23 23 HIS CA C 13 52.409 0.3 . 1 . . . A 23 HIS CA . 18980 1 247 . 1 1 23 23 HIS CB C 13 27.389 0.3 . 1 . . . A 23 HIS CB . 18980 1 248 . 1 1 23 23 HIS N N 15 113.019 0.3 . 1 . . . A 23 HIS N . 18980 1 249 . 1 1 24 24 ILE H H 1 7.578 0.02 . 1 . . . A 24 ILE H . 18980 1 250 . 1 1 24 24 ILE HA H 1 4.313 0.02 . 1 . . . A 24 ILE HA . 18980 1 251 . 1 1 24 24 ILE HB H 1 1.726 0.02 . 1 . . . A 24 ILE HB . 18980 1 252 . 1 1 24 24 ILE HG12 H 1 0.921 0.02 . 1 . . . A 24 ILE HG12 . 18980 1 253 . 1 1 24 24 ILE HG13 H 1 0.846 0.02 . 1 . . . A 24 ILE HG13 . 18980 1 254 . 1 1 24 24 ILE HG21 H 1 0.499 0.02 . 1 . . . A 24 ILE HG21 . 18980 1 255 . 1 1 24 24 ILE HG22 H 1 0.499 0.02 . 1 . . . A 24 ILE HG22 . 18980 1 256 . 1 1 24 24 ILE HG23 H 1 0.499 0.02 . 1 . . . A 24 ILE HG23 . 18980 1 257 . 1 1 24 24 ILE HD11 H 1 0.180 0.02 . 1 . . . A 24 ILE HD11 . 18980 1 258 . 1 1 24 24 ILE HD12 H 1 0.180 0.02 . 1 . . . A 24 ILE HD12 . 18980 1 259 . 1 1 24 24 ILE HD13 H 1 0.180 0.02 . 1 . . . A 24 ILE HD13 . 18980 1 260 . 1 1 24 24 ILE CA C 13 56.515 0.3 . 1 . . . A 24 ILE CA . 18980 1 261 . 1 1 24 24 ILE CB C 13 38.320 0.3 . 1 . . . A 24 ILE CB . 18980 1 262 . 1 1 24 24 ILE CG1 C 13 22.720 0.3 . 1 . . . A 24 ILE CG1 . 18980 1 263 . 1 1 24 24 ILE CG2 C 13 15.155 0.3 . 1 . . . A 24 ILE CG2 . 18980 1 264 . 1 1 24 24 ILE CD1 C 13 11.364 0.3 . 1 . . . A 24 ILE CD1 . 18980 1 265 . 1 1 24 24 ILE N N 15 105.931 0.3 . 1 . . . A 24 ILE N . 18980 1 266 . 1 1 25 25 ALA H H 1 8.944 0.02 . 1 . . . A 25 ALA H . 18980 1 267 . 1 1 25 25 ALA HA H 1 4.521 0.02 . 1 . . . A 25 ALA HA . 18980 1 268 . 1 1 25 25 ALA HB1 H 1 1.810 0.02 . 1 . . . A 25 ALA HB1 . 18980 1 269 . 1 1 25 25 ALA HB2 H 1 1.810 0.02 . 1 . . . A 25 ALA HB2 . 18980 1 270 . 1 1 25 25 ALA HB3 H 1 1.810 0.02 . 1 . . . A 25 ALA HB3 . 18980 1 271 . 1 1 25 25 ALA CA C 13 53.097 0.3 . 1 . . . A 25 ALA CA . 18980 1 272 . 1 1 25 25 ALA CB C 13 16.460 0.3 . 1 . . . A 25 ALA CB . 18980 1 273 . 1 1 25 25 ALA N N 15 122.665 0.3 . 1 . . . A 25 ALA N . 18980 1 274 . 1 1 26 26 LYS H H 1 6.448 0.02 . 1 . . . A 26 LYS H . 18980 1 275 . 1 1 26 26 LYS HA H 1 2.735 0.02 . 1 . . . A 26 LYS HA . 18980 1 276 . 1 1 26 26 LYS HB2 H 1 1.074 0.02 . 2 . . . A 26 LYS HB2 . 18980 1 277 . 1 1 26 26 LYS HB3 H 1 1.074 0.02 . 2 . . . A 26 LYS HB3 . 18980 1 278 . 1 1 26 26 LYS HG2 H 1 0.954 0.02 . 2 . . . A 26 LYS HG2 . 18980 1 279 . 1 1 26 26 LYS HG3 H 1 0.954 0.02 . 2 . . . A 26 LYS HG3 . 18980 1 280 . 1 1 26 26 LYS HD2 H 1 1.389 0.02 . 2 . . . A 26 LYS HD2 . 18980 1 281 . 1 1 26 26 LYS HD3 H 1 1.389 0.02 . 2 . . . A 26 LYS HD3 . 18980 1 282 . 1 1 26 26 LYS HE2 H 1 2.827 0.02 . 2 . . . A 26 LYS HE2 . 18980 1 283 . 1 1 26 26 LYS HE3 H 1 2.827 0.02 . 2 . . . A 26 LYS HE3 . 18980 1 284 . 1 1 26 26 LYS CA C 13 55.268 0.3 . 1 . . . A 26 LYS CA . 18980 1 285 . 1 1 26 26 LYS CB C 13 31.527 0.3 . 1 . . . A 26 LYS CB . 18980 1 286 . 1 1 26 26 LYS CG C 13 21.786 0.3 . 1 . . . A 26 LYS CG . 18980 1 287 . 1 1 26 26 LYS CD C 13 30.343 0.3 . 1 . . . A 26 LYS CD . 18980 1 288 . 1 1 26 26 LYS CE C 13 39.231 0.3 . 1 . . . A 26 LYS CE . 18980 1 289 . 1 1 26 26 LYS N N 15 117.327 0.3 . 1 . . . A 26 LYS N . 18980 1 290 . 1 1 27 27 ASN H H 1 7.536 0.02 . 1 . . . A 27 ASN H . 18980 1 291 . 1 1 27 27 ASN HA H 1 4.844 0.02 . 1 . . . A 27 ASN HA . 18980 1 292 . 1 1 27 27 ASN HB2 H 1 2.943 0.02 . 1 . . . A 27 ASN HB2 . 18980 1 293 . 1 1 27 27 ASN HB3 H 1 2.288 0.02 . 1 . . . A 27 ASN HB3 . 18980 1 294 . 1 1 27 27 ASN HD21 H 1 6.919 0.02 . 1 . . . A 27 ASN HD21 . 18980 1 295 . 1 1 27 27 ASN HD22 H 1 7.765 0.02 . 1 . . . A 27 ASN HD22 . 18980 1 296 . 1 1 27 27 ASN CA C 13 48.766 0.3 . 1 . . . A 27 ASN CA . 18980 1 297 . 1 1 27 27 ASN CB C 13 37.372 0.3 . 1 . . . A 27 ASN CB . 18980 1 298 . 1 1 27 27 ASN N N 15 111.844 0.3 . 1 . . . A 27 ASN N . 18980 1 299 . 1 1 27 27 ASN ND2 N 15 112.911 0.3 . 1 . . . A 27 ASN ND2 . 18980 1 300 . 1 1 28 28 CYS H H 1 7.195 0.02 . 1 . . . A 28 CYS H . 18980 1 301 . 1 1 28 28 CYS HA H 1 3.590 0.02 . 1 . . . A 28 CYS HA . 18980 1 302 . 1 1 28 28 CYS HB2 H 1 3.164 0.02 . 1 . . . A 28 CYS HB2 . 18980 1 303 . 1 1 28 28 CYS HB3 H 1 2.899 0.02 . 1 . . . A 28 CYS HB3 . 18980 1 304 . 1 1 28 28 CYS CA C 13 58.923 0.3 . 1 . . . A 28 CYS CA . 18980 1 305 . 1 1 28 28 CYS CB C 13 28.111 0.3 . 1 . . . A 28 CYS CB . 18980 1 306 . 1 1 28 28 CYS N N 15 122.908 0.3 . 1 . . . A 28 CYS N . 18980 1 307 . 1 1 29 29 ARG H H 1 8.885 0.02 . 1 . . . A 29 ARG H . 18980 1 308 . 1 1 29 29 ARG HA H 1 4.446 0.02 . 1 . . . A 29 ARG HA . 18980 1 309 . 1 1 29 29 ARG HB2 H 1 1.983 0.02 . 2 . . . A 29 ARG HB2 . 18980 1 310 . 1 1 29 29 ARG HB3 H 1 1.519 0.02 . 2 . . . A 29 ARG HB3 . 18980 1 311 . 1 1 29 29 ARG HG2 H 1 1.427 0.02 . 2 . . . A 29 ARG HG2 . 18980 1 312 . 1 1 29 29 ARG HG3 H 1 1.427 0.02 . 2 . . . A 29 ARG HG3 . 18980 1 313 . 1 1 29 29 ARG HD2 H 1 3.039 0.02 . 2 . . . A 29 ARG HD2 . 18980 1 314 . 1 1 29 29 ARG HD3 H 1 3.039 0.02 . 2 . . . A 29 ARG HD3 . 18980 1 315 . 1 1 29 29 ARG CA C 13 52.480 0.3 . 1 . . . A 29 ARG CA . 18980 1 316 . 1 1 29 29 ARG CB C 13 27.564 0.3 . 1 . . . A 29 ARG CB . 18980 1 317 . 1 1 29 29 ARG CG C 13 24.170 0.3 . 1 . . . A 29 ARG CG . 18980 1 318 . 1 1 29 29 ARG N N 15 129.416 0.3 . 1 . . . A 29 ARG N . 18980 1 319 . 1 1 30 30 ALA H H 1 8.744 0.02 . 1 . . . A 30 ALA H . 18980 1 320 . 1 1 30 30 ALA HA H 1 4.475 0.02 . 1 . . . A 30 ALA HA . 18980 1 321 . 1 1 30 30 ALA HB1 H 1 1.271 0.02 . 1 . . . A 30 ALA HB1 . 18980 1 322 . 1 1 30 30 ALA HB2 H 1 1.271 0.02 . 1 . . . A 30 ALA HB2 . 18980 1 323 . 1 1 30 30 ALA HB3 H 1 1.271 0.02 . 1 . . . A 30 ALA HB3 . 18980 1 324 . 1 1 30 30 ALA CA C 13 48.220 0.3 . 1 . . . A 30 ALA CA . 18980 1 325 . 1 1 30 30 ALA CB C 13 15.112 0.3 . 1 . . . A 30 ALA CB . 18980 1 326 . 1 1 30 30 ALA N N 15 127.959 0.3 . 1 . . . A 30 ALA N . 18980 1 327 . 1 1 31 31 PRO HA H 1 4.238 0.02 . 1 . . . A 31 PRO HA . 18980 1 328 . 1 1 31 31 PRO HB2 H 1 2.269 0.02 . 1 . . . A 31 PRO HB2 . 18980 1 329 . 1 1 31 31 PRO HB3 H 1 1.666 0.02 . 1 . . . A 31 PRO HB3 . 18980 1 330 . 1 1 31 31 PRO HG2 H 1 2.015 0.02 . 1 . . . A 31 PRO HG2 . 18980 1 331 . 1 1 31 31 PRO HG3 H 1 1.938 0.02 . 1 . . . A 31 PRO HG3 . 18980 1 332 . 1 1 31 31 PRO HD2 H 1 3.724 0.02 . 1 . . . A 31 PRO HD2 . 18980 1 333 . 1 1 31 31 PRO HD3 H 1 3.440 0.02 . 1 . . . A 31 PRO HD3 . 18980 1 334 . 1 1 31 31 PRO CA C 13 60.017 0.3 . 1 . . . A 31 PRO CA . 18980 1 335 . 1 1 31 31 PRO CB C 13 28.726 0.3 . 1 . . . A 31 PRO CB . 18980 1 336 . 1 1 31 31 PRO CG C 13 27.879 0.3 . 1 . . . A 31 PRO CG . 18980 1 337 . 1 1 31 31 PRO CD C 13 47.182 0.3 . 1 . . . A 31 PRO CD . 18980 1 338 . 1 1 32 32 ARG H H 1 8.740 0.02 . 1 . . . A 32 ARG H . 18980 1 339 . 1 1 32 32 ARG HA H 1 4.391 0.02 . 1 . . . A 32 ARG HA . 18980 1 340 . 1 1 32 32 ARG HB2 H 1 1.899 0.02 . 1 . . . A 32 ARG HB2 . 18980 1 341 . 1 1 32 32 ARG HB3 H 1 1.583 0.02 . 1 . . . A 32 ARG HB3 . 18980 1 342 . 1 1 32 32 ARG HG2 H 1 1.934 0.02 . 2 . . . A 32 ARG HG2 . 18980 1 343 . 1 1 32 32 ARG HG3 H 1 1.934 0.02 . 2 . . . A 32 ARG HG3 . 18980 1 344 . 1 1 32 32 ARG HD2 H 1 3.204 0.02 . 1 . . . A 32 ARG HD2 . 18980 1 345 . 1 1 32 32 ARG HD3 H 1 2.952 0.02 . 1 . . . A 32 ARG HD3 . 18980 1 346 . 1 1 32 32 ARG CA C 13 53.336 0.3 . 1 . . . A 32 ARG CA . 18980 1 347 . 1 1 32 32 ARG CB C 13 27.689 0.3 . 1 . . . A 32 ARG CB . 18980 1 348 . 1 1 32 32 ARG CG C 13 25.203 0.3 . 1 . . . A 32 ARG CG . 18980 1 349 . 1 1 32 32 ARG CD C 13 40.875 0.3 . 1 . . . A 32 ARG CD . 18980 1 350 . 1 1 32 32 ARG N N 15 123.635 0.3 . 1 . . . A 32 ARG N . 18980 1 351 . 1 1 33 33 LYS H H 1 8.868 0.02 . 1 . . . A 33 LYS H . 18980 1 352 . 1 1 33 33 LYS HA H 1 4.339 0.02 . 1 . . . A 33 LYS HA . 18980 1 353 . 1 1 33 33 LYS HB2 H 1 1.929 0.02 . 2 . . . A 33 LYS HB2 . 18980 1 354 . 1 1 33 33 LYS HB3 H 1 1.929 0.02 . 2 . . . A 33 LYS HB3 . 18980 1 355 . 1 1 33 33 LYS HG2 H 1 1.666 0.02 . 2 . . . A 33 LYS HG2 . 18980 1 356 . 1 1 33 33 LYS HG3 H 1 1.527 0.02 . 2 . . . A 33 LYS HG3 . 18980 1 357 . 1 1 33 33 LYS HD2 H 1 1.741 0.02 . 2 . . . A 33 LYS HD2 . 18980 1 358 . 1 1 33 33 LYS HD3 H 1 1.741 0.02 . 2 . . . A 33 LYS HD3 . 18980 1 359 . 1 1 33 33 LYS HE2 H 1 3.211 0.02 . 2 . . . A 33 LYS HE2 . 18980 1 360 . 1 1 33 33 LYS HE3 H 1 3.211 0.02 . 2 . . . A 33 LYS HE3 . 18980 1 361 . 1 1 33 33 LYS CA C 13 53.372 0.3 . 1 . . . A 33 LYS CA . 18980 1 362 . 1 1 33 33 LYS CB C 13 30.439 0.3 . 1 . . . A 33 LYS CB . 18980 1 363 . 1 1 33 33 LYS CG C 13 21.910 0.3 . 1 . . . A 33 LYS CG . 18980 1 364 . 1 1 33 33 LYS CD C 13 27.436 0.3 . 1 . . . A 33 LYS CD . 18980 1 365 . 1 1 33 33 LYS CE C 13 39.596 0.3 . 1 . . . A 33 LYS CE . 18980 1 366 . 1 1 33 33 LYS N N 15 127.972 0.3 . 1 . . . A 33 LYS N . 18980 1 367 . 1 1 34 34 LYS H H 1 8.300 0.02 . 1 . . . A 34 LYS H . 18980 1 368 . 1 1 34 34 LYS HA H 1 4.393 0.02 . 1 . . . A 34 LYS HA . 18980 1 369 . 1 1 34 34 LYS HB2 H 1 1.802 0.02 . 2 . . . A 34 LYS HB2 . 18980 1 370 . 1 1 34 34 LYS HB3 H 1 1.802 0.02 . 2 . . . A 34 LYS HB3 . 18980 1 371 . 1 1 34 34 LYS HG2 H 1 1.476 0.02 . 2 . . . A 34 LYS HG2 . 18980 1 372 . 1 1 34 34 LYS HG3 H 1 1.476 0.02 . 2 . . . A 34 LYS HG3 . 18980 1 373 . 1 1 34 34 LYS HD2 H 1 1.826 0.02 . 2 . . . A 34 LYS HD2 . 18980 1 374 . 1 1 34 34 LYS HD3 H 1 1.826 0.02 . 2 . . . A 34 LYS HD3 . 18980 1 375 . 1 1 34 34 LYS HE2 H 1 2.981 0.02 . 2 . . . A 34 LYS HE2 . 18980 1 376 . 1 1 34 34 LYS HE3 H 1 2.981 0.02 . 2 . . . A 34 LYS HE3 . 18980 1 377 . 1 1 34 34 LYS CA C 13 54.385 0.3 . 1 . . . A 34 LYS CA . 18980 1 378 . 1 1 34 34 LYS CB C 13 30.651 0.3 . 1 . . . A 34 LYS CB . 18980 1 379 . 1 1 34 34 LYS CG C 13 22.226 0.3 . 1 . . . A 34 LYS CG . 18980 1 380 . 1 1 34 34 LYS CD C 13 26.689 0.3 . 1 . . . A 34 LYS CD . 18980 1 381 . 1 1 34 34 LYS N N 15 120.697 0.3 . 1 . . . A 34 LYS N . 18980 1 382 . 1 1 35 35 GLY H H 1 8.518 0.02 . 1 . . . A 35 GLY H . 18980 1 383 . 1 1 35 35 GLY HA2 H 1 3.797 0.02 . 1 . . . A 35 GLY HA2 . 18980 1 384 . 1 1 35 35 GLY HA3 H 1 3.415 0.02 . 1 . . . A 35 GLY HA3 . 18980 1 385 . 1 1 35 35 GLY CA C 13 40.646 0.3 . 1 . . . A 35 GLY CA . 18980 1 386 . 1 1 35 35 GLY N N 15 109.787 0.3 . 1 . . . A 35 GLY N . 18980 1 387 . 1 1 36 36 CYS H H 1 8.249 0.02 . 1 . . . A 36 CYS H . 18980 1 388 . 1 1 36 36 CYS HA H 1 3.994 0.02 . 1 . . . A 36 CYS HA . 18980 1 389 . 1 1 36 36 CYS HB2 H 1 2.724 0.02 . 1 . . . A 36 CYS HB2 . 18980 1 390 . 1 1 36 36 CYS HB3 H 1 1.762 0.02 . 1 . . . A 36 CYS HB3 . 18980 1 391 . 1 1 36 36 CYS CA C 13 57.328 0.3 . 1 . . . A 36 CYS CA . 18980 1 392 . 1 1 36 36 CYS CB C 13 27.259 0.3 . 1 . . . A 36 CYS CB . 18980 1 393 . 1 1 36 36 CYS N N 15 122.657 0.3 . 1 . . . A 36 CYS N . 18980 1 394 . 1 1 37 37 TRP H H 1 9.218 0.02 . 1 . . . A 37 TRP H . 18980 1 395 . 1 1 37 37 TRP HA H 1 4.763 0.02 . 1 . . . A 37 TRP HA . 18980 1 396 . 1 1 37 37 TRP HB2 H 1 3.367 0.02 . 2 . . . A 37 TRP HB2 . 18980 1 397 . 1 1 37 37 TRP HB3 H 1 3.367 0.02 . 2 . . . A 37 TRP HB3 . 18980 1 398 . 1 1 37 37 TRP HD1 H 1 7.118 0.02 . 1 . . . A 37 TRP HD1 . 18980 1 399 . 1 1 37 37 TRP HE1 H 1 10.298 0.02 . 1 . . . A 37 TRP HE1 . 18980 1 400 . 1 1 37 37 TRP HE3 H 1 7.548 0.02 . 1 . . . A 37 TRP HE3 . 18980 1 401 . 1 1 37 37 TRP HZ2 H 1 6.045 0.02 . 1 . . . A 37 TRP HZ2 . 18980 1 402 . 1 1 37 37 TRP HZ3 H 1 6.683 0.02 . 1 . . . A 37 TRP HZ3 . 18980 1 403 . 1 1 37 37 TRP HH2 H 1 6.436 0.02 . 1 . . . A 37 TRP HH2 . 18980 1 404 . 1 1 37 37 TRP CA C 13 54.955 0.3 . 1 . . . A 37 TRP CA . 18980 1 405 . 1 1 37 37 TRP CB C 13 26.102 0.3 . 1 . . . A 37 TRP CB . 18980 1 406 . 1 1 37 37 TRP N N 15 132.646 0.3 . 1 . . . A 37 TRP N . 18980 1 407 . 1 1 37 37 TRP NE1 N 15 131.218 0.3 . 1 . . . A 37 TRP NE1 . 18980 1 408 . 1 1 38 38 LYS H H 1 9.626 0.02 . 1 . . . A 38 LYS H . 18980 1 409 . 1 1 38 38 LYS HA H 1 4.200 0.02 . 1 . . . A 38 LYS HA . 18980 1 410 . 1 1 38 38 LYS HB2 H 1 1.935 0.02 . 1 . . . A 38 LYS HB2 . 18980 1 411 . 1 1 38 38 LYS HB3 H 1 1.617 0.02 . 1 . . . A 38 LYS HB3 . 18980 1 412 . 1 1 38 38 LYS HG2 H 1 1.090 0.02 . 1 . . . A 38 LYS HG2 . 18980 1 413 . 1 1 38 38 LYS HG3 H 1 0.938 0.02 . 1 . . . A 38 LYS HG3 . 18980 1 414 . 1 1 38 38 LYS HD2 H 1 1.498 0.02 . 2 . . . A 38 LYS HD2 . 18980 1 415 . 1 1 38 38 LYS HD3 H 1 1.498 0.02 . 2 . . . A 38 LYS HD3 . 18980 1 416 . 1 1 38 38 LYS HE2 H 1 2.724 0.02 . 2 . . . A 38 LYS HE2 . 18980 1 417 . 1 1 38 38 LYS HE3 H 1 2.724 0.02 . 2 . . . A 38 LYS HE3 . 18980 1 418 . 1 1 38 38 LYS CA C 13 55.916 0.3 . 1 . . . A 38 LYS CA . 18980 1 419 . 1 1 38 38 LYS CB C 13 31.288 0.3 . 1 . . . A 38 LYS CB . 18980 1 420 . 1 1 38 38 LYS CG C 13 23.201 0.3 . 1 . . . A 38 LYS CG . 18980 1 421 . 1 1 38 38 LYS CD C 13 26.505 0.3 . 1 . . . A 38 LYS CD . 18980 1 422 . 1 1 38 38 LYS N N 15 121.676 0.3 . 1 . . . A 38 LYS N . 18980 1 423 . 1 1 39 39 CYS H H 1 8.612 0.02 . 1 . . . A 39 CYS H . 18980 1 424 . 1 1 39 39 CYS HA H 1 4.929 0.02 . 1 . . . A 39 CYS HA . 18980 1 425 . 1 1 39 39 CYS HB2 H 1 3.205 0.02 . 1 . . . A 39 CYS HB2 . 18980 1 426 . 1 1 39 39 CYS HB3 H 1 2.451 0.02 . 1 . . . A 39 CYS HB3 . 18980 1 427 . 1 1 39 39 CYS CA C 13 56.058 0.3 . 1 . . . A 39 CYS CA . 18980 1 428 . 1 1 39 39 CYS CB C 13 29.705 0.3 . 1 . . . A 39 CYS CB . 18980 1 429 . 1 1 39 39 CYS N N 15 117.746 0.3 . 1 . . . A 39 CYS N . 18980 1 430 . 1 1 40 40 GLY H H 1 8.050 0.02 . 1 . . . A 40 GLY H . 18980 1 431 . 1 1 40 40 GLY HA2 H 1 4.218 0.02 . 1 . . . A 40 GLY HA2 . 18980 1 432 . 1 1 40 40 GLY HA3 H 1 3.953 0.02 . 1 . . . A 40 GLY HA3 . 18980 1 433 . 1 1 40 40 GLY CA C 13 43.398 0.3 . 1 . . . A 40 GLY CA . 18980 1 434 . 1 1 40 40 GLY N N 15 113.510 0.3 . 1 . . . A 40 GLY N . 18980 1 435 . 1 1 41 41 LYS H H 1 8.340 0.02 . 1 . . . A 41 LYS H . 18980 1 436 . 1 1 41 41 LYS HA H 1 4.296 0.02 . 1 . . . A 41 LYS HA . 18980 1 437 . 1 1 41 41 LYS HB2 H 1 1.752 0.02 . 2 . . . A 41 LYS HB2 . 18980 1 438 . 1 1 41 41 LYS HB3 H 1 1.752 0.02 . 2 . . . A 41 LYS HB3 . 18980 1 439 . 1 1 41 41 LYS HG2 H 1 1.476 0.02 . 2 . . . A 41 LYS HG2 . 18980 1 440 . 1 1 41 41 LYS HG3 H 1 1.476 0.02 . 2 . . . A 41 LYS HG3 . 18980 1 441 . 1 1 41 41 LYS HD2 H 1 1.600 0.02 . 2 . . . A 41 LYS HD2 . 18980 1 442 . 1 1 41 41 LYS HD3 H 1 1.600 0.02 . 2 . . . A 41 LYS HD3 . 18980 1 443 . 1 1 41 41 LYS HE2 H 1 3.054 0.02 . 2 . . . A 41 LYS HE2 . 18980 1 444 . 1 1 41 41 LYS HE3 H 1 3.054 0.02 . 2 . . . A 41 LYS HE3 . 18980 1 445 . 1 1 41 41 LYS CA C 13 54.068 0.3 . 1 . . . A 41 LYS CA . 18980 1 446 . 1 1 41 41 LYS CB C 13 30.765 0.3 . 1 . . . A 41 LYS CB . 18980 1 447 . 1 1 41 41 LYS CG C 13 23.157 0.3 . 1 . . . A 41 LYS CG . 18980 1 448 . 1 1 41 41 LYS CD C 13 30.770 0.3 . 1 . . . A 41 LYS CD . 18980 1 449 . 1 1 41 41 LYS CE C 13 40.196 0.3 . 1 . . . A 41 LYS CE . 18980 1 450 . 1 1 41 41 LYS N N 15 121.911 0.3 . 1 . . . A 41 LYS N . 18980 1 451 . 1 1 42 42 GLU H H 1 8.501 0.02 . 1 . . . A 42 GLU H . 18980 1 452 . 1 1 42 42 GLU HA H 1 4.116 0.02 . 1 . . . A 42 GLU HA . 18980 1 453 . 1 1 42 42 GLU HB2 H 1 1.923 0.02 . 1 . . . A 42 GLU HB2 . 18980 1 454 . 1 1 42 42 GLU HB3 H 1 1.828 0.02 . 1 . . . A 42 GLU HB3 . 18980 1 455 . 1 1 42 42 GLU HG2 H 1 2.254 0.02 . 1 . . . A 42 GLU HG2 . 18980 1 456 . 1 1 42 42 GLU HG3 H 1 2.057 0.02 . 1 . . . A 42 GLU HG3 . 18980 1 457 . 1 1 42 42 GLU CA C 13 54.054 0.3 . 1 . . . A 42 GLU CA . 18980 1 458 . 1 1 42 42 GLU CB C 13 27.786 0.3 . 1 . . . A 42 GLU CB . 18980 1 459 . 1 1 42 42 GLU CG C 13 34.023 0.3 . 1 . . . A 42 GLU CG . 18980 1 460 . 1 1 42 42 GLU N N 15 119.418 0.3 . 1 . . . A 42 GLU N . 18980 1 461 . 1 1 43 43 GLY H H 1 8.719 0.02 . 1 . . . A 43 GLY H . 18980 1 462 . 1 1 43 43 GLY HA2 H 1 4.315 0.02 . 1 . . . A 43 GLY HA2 . 18980 1 463 . 1 1 43 43 GLY HA3 H 1 3.562 0.02 . 1 . . . A 43 GLY HA3 . 18980 1 464 . 1 1 43 43 GLY CA C 13 42.789 0.3 . 1 . . . A 43 GLY CA . 18980 1 465 . 1 1 43 43 GLY N N 15 107.782 0.3 . 1 . . . A 43 GLY N . 18980 1 466 . 1 1 44 44 HIS H H 1 6.810 0.02 . 1 . . . A 44 HIS H . 18980 1 467 . 1 1 44 44 HIS HA H 1 4.587 0.02 . 1 . . . A 44 HIS HA . 18980 1 468 . 1 1 44 44 HIS HB2 H 1 3.071 0.02 . 2 . . . A 44 HIS HB2 . 18980 1 469 . 1 1 44 44 HIS HB3 H 1 3.071 0.02 . 2 . . . A 44 HIS HB3 . 18980 1 470 . 1 1 44 44 HIS HD2 H 1 6.675 0.02 . 1 . . . A 44 HIS HD2 . 18980 1 471 . 1 1 44 44 HIS HE1 H 1 7.353 0.02 . 1 . . . A 44 HIS HE1 . 18980 1 472 . 1 1 44 44 HIS CA C 13 52.665 0.3 . 1 . . . A 44 HIS CA . 18980 1 473 . 1 1 44 44 HIS CB C 13 27.416 0.3 . 1 . . . A 44 HIS CB . 18980 1 474 . 1 1 44 44 HIS N N 15 111.284 0.3 . 1 . . . A 44 HIS N . 18980 1 475 . 1 1 45 45 GLN H H 1 8.781 0.02 . 1 . . . A 45 GLN H . 18980 1 476 . 1 1 45 45 GLN HA H 1 3.773 0.02 . 1 . . . A 45 GLN HA . 18980 1 477 . 1 1 45 45 GLN HB2 H 1 1.499 0.02 . 2 . . . A 45 GLN HB2 . 18980 1 478 . 1 1 45 45 GLN HB3 H 1 1.499 0.02 . 2 . . . A 45 GLN HB3 . 18980 1 479 . 1 1 45 45 GLN HG2 H 1 1.754 0.02 . 1 . . . A 45 GLN HG2 . 18980 1 480 . 1 1 45 45 GLN HG3 H 1 1.340 0.02 . 1 . . . A 45 GLN HG3 . 18980 1 481 . 1 1 45 45 GLN HE21 H 1 6.730 0.02 . 1 . . . A 45 GLN HE21 . 18980 1 482 . 1 1 45 45 GLN HE22 H 1 6.567 0.02 . 1 . . . A 45 GLN HE22 . 18980 1 483 . 1 1 45 45 GLN CA C 13 51.454 0.3 . 1 . . . A 45 GLN CA . 18980 1 484 . 1 1 45 45 GLN CB C 13 28.905 0.3 . 1 . . . A 45 GLN CB . 18980 1 485 . 1 1 45 45 GLN CG C 13 31.406 0.3 . 1 . . . A 45 GLN CG . 18980 1 486 . 1 1 45 45 GLN N N 15 117.297 0.3 . 1 . . . A 45 GLN N . 18980 1 487 . 1 1 45 45 GLN NE2 N 15 110.974 0.3 . 1 . . . A 45 GLN NE2 . 18980 1 488 . 1 1 46 46 MET H H 1 9.008 0.02 . 1 . . . A 46 MET H . 18980 1 489 . 1 1 46 46 MET HA H 1 4.820 0.02 . 1 . . . A 46 MET HA . 18980 1 490 . 1 1 46 46 MET HB2 H 1 2.515 0.02 . 1 . . . A 46 MET HB2 . 18980 1 491 . 1 1 46 46 MET HB3 H 1 2.015 0.02 . 1 . . . A 46 MET HB3 . 18980 1 492 . 1 1 46 46 MET HG2 H 1 2.526 0.02 . 2 . . . A 46 MET HG2 . 18980 1 493 . 1 1 46 46 MET HG3 H 1 2.526 0.02 . 2 . . . A 46 MET HG3 . 18980 1 494 . 1 1 46 46 MET HE1 H 1 2.310 0.02 . 1 . . . A 46 MET HE1 . 18980 1 495 . 1 1 46 46 MET HE2 H 1 2.310 0.02 . 1 . . . A 46 MET HE2 . 18980 1 496 . 1 1 46 46 MET HE3 H 1 2.310 0.02 . 1 . . . A 46 MET HE3 . 18980 1 497 . 1 1 46 46 MET CA C 13 57.542 0.3 . 1 . . . A 46 MET CA . 18980 1 498 . 1 1 46 46 MET CB C 13 29.549 0.3 . 1 . . . A 46 MET CB . 18980 1 499 . 1 1 46 46 MET CG C 13 30.561 0.3 . 1 . . . A 46 MET CG . 18980 1 500 . 1 1 46 46 MET CE C 13 15.827 0.3 . 1 . . . A 46 MET CE . 18980 1 501 . 1 1 46 46 MET N N 15 117.926 0.3 . 1 . . . A 46 MET N . 18980 1 502 . 1 1 47 47 LYS H H 1 6.430 0.02 . 1 . . . A 47 LYS H . 18980 1 503 . 1 1 47 47 LYS HA H 1 3.448 0.02 . 1 . . . A 47 LYS HA . 18980 1 504 . 1 1 47 47 LYS HB2 H 1 1.346 0.02 . 1 . . . A 47 LYS HB2 . 18980 1 505 . 1 1 47 47 LYS HB3 H 1 0.851 0.02 . 1 . . . A 47 LYS HB3 . 18980 1 506 . 1 1 47 47 LYS HG2 H 1 0.940 0.02 . 1 . . . A 47 LYS HG2 . 18980 1 507 . 1 1 47 47 LYS HG3 H 1 0.671 0.02 . 1 . . . A 47 LYS HG3 . 18980 1 508 . 1 1 47 47 LYS HD2 H 1 1.300 0.02 . 1 . . . A 47 LYS HD2 . 18980 1 509 . 1 1 47 47 LYS HD3 H 1 1.210 0.02 . 1 . . . A 47 LYS HD3 . 18980 1 510 . 1 1 47 47 LYS HE2 H 1 2.770 0.02 . 2 . . . A 47 LYS HE2 . 18980 1 511 . 1 1 47 47 LYS HE3 H 1 2.688 0.02 . 2 . . . A 47 LYS HE3 . 18980 1 512 . 1 1 47 47 LYS CA C 13 54.988 0.3 . 1 . . . A 47 LYS CA . 18980 1 513 . 1 1 47 47 LYS CB C 13 28.285 0.3 . 1 . . . A 47 LYS CB . 18980 1 514 . 1 1 47 47 LYS CG C 13 20.436 0.3 . 1 . . . A 47 LYS CG . 18980 1 515 . 1 1 47 47 LYS CD C 13 26.110 0.3 . 1 . . . A 47 LYS CD . 18980 1 516 . 1 1 47 47 LYS N N 15 117.631 0.3 . 1 . . . A 47 LYS N . 18980 1 517 . 1 1 48 48 ASP H H 1 7.560 0.02 . 1 . . . A 48 ASP H . 18980 1 518 . 1 1 48 48 ASP HA H 1 4.780 0.02 . 1 . . . A 48 ASP HA . 18980 1 519 . 1 1 48 48 ASP HB2 H 1 2.812 0.02 . 1 . . . A 48 ASP HB2 . 18980 1 520 . 1 1 48 48 ASP HB3 H 1 2.273 0.02 . 1 . . . A 48 ASP HB3 . 18980 1 521 . 1 1 48 48 ASP CA C 13 50.600 0.3 . 1 . . . A 48 ASP CA . 18980 1 522 . 1 1 48 48 ASP CB C 13 40.029 0.3 . 1 . . . A 48 ASP CB . 18980 1 523 . 1 1 48 48 ASP N N 15 117.363 0.3 . 1 . . . A 48 ASP N . 18980 1 524 . 1 1 49 49 CYS H H 1 7.091 0.02 . 1 . . . A 49 CYS H . 18980 1 525 . 1 1 49 49 CYS HA H 1 3.682 0.02 . 1 . . . A 49 CYS HA . 18980 1 526 . 1 1 49 49 CYS HB2 H 1 3.080 0.02 . 1 . . . A 49 CYS HB2 . 18980 1 527 . 1 1 49 49 CYS HB3 H 1 2.786 0.02 . 1 . . . A 49 CYS HB3 . 18980 1 528 . 1 1 49 49 CYS CA C 13 59.557 0.3 . 1 . . . A 49 CYS CA . 18980 1 529 . 1 1 49 49 CYS CB C 13 28.040 0.3 . 1 . . . A 49 CYS CB . 18980 1 530 . 1 1 49 49 CYS N N 15 122.910 0.3 . 1 . . . A 49 CYS N . 18980 1 531 . 1 1 50 50 THR H H 1 8.139 0.02 . 1 . . . A 50 THR H . 18980 1 532 . 1 1 50 50 THR HA H 1 4.293 0.02 . 1 . . . A 50 THR HA . 18980 1 533 . 1 1 50 50 THR HB H 1 4.348 0.02 . 1 . . . A 50 THR HB . 18980 1 534 . 1 1 50 50 THR HG21 H 1 1.023 0.02 . 1 . . . A 50 THR HG21 . 18980 1 535 . 1 1 50 50 THR HG22 H 1 1.023 0.02 . 1 . . . A 50 THR HG22 . 18980 1 536 . 1 1 50 50 THR HG23 H 1 1.023 0.02 . 1 . . . A 50 THR HG23 . 18980 1 537 . 1 1 50 50 THR CA C 13 58.855 0.3 . 1 . . . A 50 THR CA . 18980 1 538 . 1 1 50 50 THR CB C 13 66.355 0.3 . 1 . . . A 50 THR CB . 18980 1 539 . 1 1 50 50 THR CG2 C 13 18.435 0.3 . 1 . . . A 50 THR CG2 . 18980 1 540 . 1 1 50 50 THR N N 15 119.675 0.3 . 1 . . . A 50 THR N . 18980 1 541 . 1 1 51 51 GLU H H 1 8.551 0.02 . 1 . . . A 51 GLU H . 18980 1 542 . 1 1 51 51 GLU HA H 1 4.164 0.02 . 1 . . . A 51 GLU HA . 18980 1 543 . 1 1 51 51 GLU HB2 H 1 1.993 0.02 . 2 . . . A 51 GLU HB2 . 18980 1 544 . 1 1 51 51 GLU HB3 H 1 1.893 0.02 . 2 . . . A 51 GLU HB3 . 18980 1 545 . 1 1 51 51 GLU HG2 H 1 2.358 0.02 . 2 . . . A 51 GLU HG2 . 18980 1 546 . 1 1 51 51 GLU HG3 H 1 2.194 0.02 . 2 . . . A 51 GLU HG3 . 18980 1 547 . 1 1 51 51 GLU CA C 13 54.061 0.3 . 1 . . . A 51 GLU CA . 18980 1 548 . 1 1 51 51 GLU CB C 13 27.130 0.3 . 1 . . . A 51 GLU CB . 18980 1 549 . 1 1 51 51 GLU CG C 13 33.369 0.3 . 1 . . . A 51 GLU CG . 18980 1 550 . 1 1 51 51 GLU N N 15 124.935 0.3 . 1 . . . A 51 GLU N . 18980 1 551 . 1 1 52 52 ARG H H 1 8.287 0.02 . 1 . . . A 52 ARG H . 18980 1 552 . 1 1 52 52 ARG HA H 1 4.248 0.02 . 1 . . . A 52 ARG HA . 18980 1 553 . 1 1 52 52 ARG HB2 H 1 1.717 0.02 . 2 . . . A 52 ARG HB2 . 18980 1 554 . 1 1 52 52 ARG HB3 H 1 1.717 0.02 . 2 . . . A 52 ARG HB3 . 18980 1 555 . 1 1 52 52 ARG HG2 H 1 1.555 0.02 . 2 . . . A 52 ARG HG2 . 18980 1 556 . 1 1 52 52 ARG HG3 H 1 1.555 0.02 . 2 . . . A 52 ARG HG3 . 18980 1 557 . 1 1 52 52 ARG HD2 H 1 3.100 0.02 . 2 . . . A 52 ARG HD2 . 18980 1 558 . 1 1 52 52 ARG HD3 H 1 3.100 0.02 . 2 . . . A 52 ARG HD3 . 18980 1 559 . 1 1 52 52 ARG CA C 13 53.402 0.3 . 1 . . . A 52 ARG CA . 18980 1 560 . 1 1 52 52 ARG CB C 13 28.028 0.3 . 1 . . . A 52 ARG CB . 18980 1 561 . 1 1 52 52 ARG CG C 13 24.272 0.3 . 1 . . . A 52 ARG CG . 18980 1 562 . 1 1 52 52 ARG N N 15 122.624 0.3 . 1 . . . A 52 ARG N . 18980 1 563 . 1 1 53 53 GLN H H 1 8.381 0.02 . 1 . . . A 53 GLN H . 18980 1 564 . 1 1 53 53 GLN HA H 1 4.248 0.02 . 1 . . . A 53 GLN HA . 18980 1 565 . 1 1 53 53 GLN HB2 H 1 2.040 0.02 . 2 . . . A 53 GLN HB2 . 18980 1 566 . 1 1 53 53 GLN HB3 H 1 1.924 0.02 . 2 . . . A 53 GLN HB3 . 18980 1 567 . 1 1 53 53 GLN HG2 H 1 2.300 0.02 . 2 . . . A 53 GLN HG2 . 18980 1 568 . 1 1 53 53 GLN HG3 H 1 2.300 0.02 . 2 . . . A 53 GLN HG3 . 18980 1 569 . 1 1 53 53 GLN CA C 13 52.946 0.3 . 1 . . . A 53 GLN CA . 18980 1 570 . 1 1 53 53 GLN CB C 13 26.794 0.3 . 1 . . . A 53 GLN CB . 18980 1 571 . 1 1 53 53 GLN CG C 13 32.441 0.3 . 1 . . . A 53 GLN CG . 18980 1 572 . 1 1 53 53 GLN N N 15 121.647 0.3 . 1 . . . A 53 GLN N . 18980 1 573 . 1 1 54 54 ALA H H 1 8.338 0.02 . 1 . . . A 54 ALA H . 18980 1 574 . 1 1 54 54 ALA HA H 1 4.296 0.02 . 1 . . . A 54 ALA HA . 18980 1 575 . 1 1 54 54 ALA HB1 H 1 1.337 0.02 . 1 . . . A 54 ALA HB1 . 18980 1 576 . 1 1 54 54 ALA HB2 H 1 1.337 0.02 . 1 . . . A 54 ALA HB2 . 18980 1 577 . 1 1 54 54 ALA HB3 H 1 1.337 0.02 . 1 . . . A 54 ALA HB3 . 18980 1 578 . 1 1 54 54 ALA CA C 13 49.575 0.3 . 1 . . . A 54 ALA CA . 18980 1 579 . 1 1 54 54 ALA CB C 13 16.704 0.3 . 1 . . . A 54 ALA CB . 18980 1 580 . 1 1 54 54 ALA N N 15 125.878 0.3 . 1 . . . A 54 ALA N . 18980 1 581 . 1 1 55 55 ASN H H 1 7.938 0.02 . 1 . . . A 55 ASN H . 18980 1 582 . 1 1 55 55 ASN HA H 1 4.410 0.02 . 1 . . . A 55 ASN HA . 18980 1 583 . 1 1 55 55 ASN HB2 H 1 2.720 0.02 . 2 . . . A 55 ASN HB2 . 18980 1 584 . 1 1 55 55 ASN HB3 H 1 2.627 0.02 . 2 . . . A 55 ASN HB3 . 18980 1 585 . 1 1 55 55 ASN HD21 H 1 6.821 0.02 . 2 . . . A 55 ASN HD21 . 18980 1 586 . 1 1 55 55 ASN HD22 H 1 7.483 0.02 . 2 . . . A 55 ASN HD22 . 18980 1 587 . 1 1 55 55 ASN CA C 13 51.934 0.3 . 1 . . . A 55 ASN CA . 18980 1 588 . 1 1 55 55 ASN CB C 13 37.714 0.3 . 1 . . . A 55 ASN CB . 18980 1 589 . 1 1 55 55 ASN N N 15 123.272 0.3 . 1 . . . A 55 ASN N . 18980 1 590 . 1 1 55 55 ASN ND2 N 15 112.284 0.3 . 1 . . . A 55 ASN ND2 . 18980 1 591 . 4 3 1 1 1HF HN1 H 1 10.347 0.02 . 1 . . . . 58 1H0 HN1 . 18980 1 592 . 4 3 1 1 1HF H4 H 1 8.658 0.02 . 1 . . . . 58 1H0 H4 . 18980 1 593 . 4 3 1 1 1HF H6 H 1 7.794 0.02 . 1 . . . . 58 1H0 H6 . 18980 1 594 . 4 3 1 1 1HF H7 H 1 7.019 0.02 . 1 . . . . 58 1H0 H7 . 18980 1 595 . 4 3 1 1 1HF H9 H 1 7.220 0.02 . 1 . . . . 58 1H0 H9 . 18980 1 596 . 4 3 1 1 1HF H10 H 1 7.531 0.02 . 1 . . . . 58 1H0 H10 . 18980 1 597 . 4 3 1 1 1HF H11 H 1 6.705 0.02 . 1 . . . . 58 1H0 H11 . 18980 1 598 . 4 3 1 1 1HF H12 H 1 6.873 0.02 . 1 . . . . 58 1H0 H12 . 18980 1 599 . 5 3 1 1 1HF HN1 H 1 10.300 0.02 . 1 . . . . 59 1H0 HN1 . 18980 1 600 . 5 3 1 1 1HF H4 H 1 8.417 0.02 . 1 . . . . 59 1H0 H4 . 18980 1 601 . 5 3 1 1 1HF H6 H 1 7.747 0.02 . 1 . . . . 59 1H0 H6 . 18980 1 602 . 5 3 1 1 1HF H7 H 1 7.441 0.02 . 1 . . . . 59 1H0 H7 . 18980 1 603 . 5 3 1 1 1HF H9 H 1 7.244 0.02 . 1 . . . . 59 1H0 H9 . 18980 1 604 . 5 3 1 1 1HF H10 H 1 7.533 0.02 . 1 . . . . 59 1H0 H10 . 18980 1 605 . 5 3 1 1 1HF H11 H 1 6.702 0.02 . 1 . . . . 59 1H0 H11 . 18980 1 606 . 5 3 1 1 1HF H12 H 1 6.910 0.02 . 1 . . . . 59 1H0 H12 . 18980 1 stop_ save_