################################### # 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 18559 _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 HNCO' . . . 18559 1 2 '3D HNCA' . . . 18559 1 3 '3D CBCA(CO)NH' . . . 18559 1 4 '3D HBHA(CO)NH' . . . 18559 1 5 '3D HCCH-TOCSY' . . . 18559 1 6 '3D (H)CCH-TOCSY' . . . 18559 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 21 21 ASP HA H 1 4.563 0.005 . 1 . . . A 21 ASP HA . 18559 1 2 . 1 1 21 21 ASP HB2 H 1 2.642 0.005 . 2 . . . A 21 ASP HB2 . 18559 1 3 . 1 1 21 21 ASP HB3 H 1 2.642 0.005 . 2 . . . A 21 ASP HB3 . 18559 1 4 . 1 1 21 21 ASP C C 13 176.724 0.05 . 1 . . . A 21 ASP C . 18559 1 5 . 1 1 21 21 ASP CA C 13 54.565 0.05 . 1 . . . A 21 ASP CA . 18559 1 6 . 1 1 21 21 ASP CB C 13 41.190 0.05 . 1 . . . A 21 ASP CB . 18559 1 7 . 1 1 22 22 GLY H H 1 8.210 0.005 . 1 . . . A 22 GLY H . 18559 1 8 . 1 1 22 22 GLY HA2 H 1 3.868 0.005 . 2 . . . A 22 GLY HA2 . 18559 1 9 . 1 1 22 22 GLY HA3 H 1 3.868 0.005 . 2 . . . A 22 GLY HA3 . 18559 1 10 . 1 1 22 22 GLY C C 13 174.109 0.05 . 1 . . . A 22 GLY C . 18559 1 11 . 1 1 22 22 GLY CA C 13 45.276 0.05 . 1 . . . A 22 GLY CA . 18559 1 12 . 1 1 22 22 GLY N N 15 108.824 0.03 . 1 . . . A 22 GLY N . 18559 1 13 . 1 1 23 23 SER H H 1 8.005 0.005 . 1 . . . A 23 SER H . 18559 1 14 . 1 1 23 23 SER N N 15 112.987 0.03 . 1 . . . A 23 SER N . 18559 1 15 . 1 1 26 26 THR HA H 1 4.272 0.005 . 1 . . . A 26 THR HA . 18559 1 16 . 1 1 26 26 THR HB H 1 4.181 0.005 . 1 . . . A 26 THR HB . 18559 1 17 . 1 1 26 26 THR HG21 H 1 1.141 0.005 . 1 . . . A 26 THR HG21 . 18559 1 18 . 1 1 26 26 THR HG22 H 1 1.141 0.005 . 1 . . . A 26 THR HG22 . 18559 1 19 . 1 1 26 26 THR HG23 H 1 1.141 0.005 . 1 . . . A 26 THR HG23 . 18559 1 20 . 1 1 26 26 THR C C 13 174.409 0.05 . 1 . . . A 26 THR C . 18559 1 21 . 1 1 26 26 THR CA C 13 61.865 0.05 . 1 . . . A 26 THR CA . 18559 1 22 . 1 1 26 26 THR CB C 13 69.765 0.05 . 1 . . . A 26 THR CB . 18559 1 23 . 1 1 26 26 THR CG2 C 13 21.590 0.05 . 1 . . . A 26 THR CG2 . 18559 1 24 . 1 1 27 27 ASP H H 1 8.318 0.005 . 1 . . . A 27 ASP H . 18559 1 25 . 1 1 27 27 ASP HA H 1 4.712 0.005 . 1 . . . A 27 ASP HA . 18559 1 26 . 1 1 27 27 ASP HB2 H 1 2.598 0.005 . 2 . . . A 27 ASP HB2 . 18559 1 27 . 1 1 27 27 ASP HB3 H 1 2.522 0.005 . 2 . . . A 27 ASP HB3 . 18559 1 28 . 1 1 27 27 ASP C C 13 175.798 0.05 . 1 . . . A 27 ASP C . 18559 1 29 . 1 1 27 27 ASP CA C 13 54.429 0.05 . 1 . . . A 27 ASP CA . 18559 1 30 . 1 1 27 27 ASP CB C 13 41.299 0.05 . 1 . . . A 27 ASP CB . 18559 1 31 . 1 1 27 27 ASP N N 15 122.453 0.03 . 1 . . . A 27 ASP N . 18559 1 32 . 1 1 28 28 VAL H H 1 8.678 0.005 . 1 . . . A 28 VAL H . 18559 1 33 . 1 1 28 28 VAL HA H 1 4.185 0.005 . 1 . . . A 28 VAL HA . 18559 1 34 . 1 1 28 28 VAL HB H 1 2.153 0.005 . 1 . . . A 28 VAL HB . 18559 1 35 . 1 1 28 28 VAL HG11 H 1 0.844 0.005 . 2 . . . A 28 VAL HG11 . 18559 1 36 . 1 1 28 28 VAL HG12 H 1 0.844 0.005 . 2 . . . A 28 VAL HG12 . 18559 1 37 . 1 1 28 28 VAL HG13 H 1 0.844 0.005 . 2 . . . A 28 VAL HG13 . 18559 1 38 . 1 1 28 28 VAL HG21 H 1 0.887 0.005 . 2 . . . A 28 VAL HG21 . 18559 1 39 . 1 1 28 28 VAL HG22 H 1 0.887 0.005 . 2 . . . A 28 VAL HG22 . 18559 1 40 . 1 1 28 28 VAL HG23 H 1 0.887 0.005 . 2 . . . A 28 VAL HG23 . 18559 1 41 . 1 1 28 28 VAL C C 13 175.117 0.05 . 1 . . . A 28 VAL C . 18559 1 42 . 1 1 28 28 VAL CA C 13 62.165 0.05 . 1 . . . A 28 VAL CA . 18559 1 43 . 1 1 28 28 VAL CB C 13 33.754 0.05 . 1 . . . A 28 VAL CB . 18559 1 44 . 1 1 28 28 VAL CG1 C 13 21.263 0.05 . 2 . . . A 28 VAL CG1 . 18559 1 45 . 1 1 28 28 VAL CG2 C 13 20.828 0.05 . 2 . . . A 28 VAL CG2 . 18559 1 46 . 1 1 28 28 VAL N N 15 121.653 0.03 . 1 . . . A 28 VAL N . 18559 1 47 . 1 1 29 29 THR H H 1 8.270 0.005 . 1 . . . A 29 THR H . 18559 1 48 . 1 1 29 29 THR HA H 1 4.785 0.005 . 1 . . . A 29 THR HA . 18559 1 49 . 1 1 29 29 THR HB H 1 3.800 0.005 . 1 . . . A 29 THR HB . 18559 1 50 . 1 1 29 29 THR HG21 H 1 0.780 0.005 . 1 . . . A 29 THR HG21 . 18559 1 51 . 1 1 29 29 THR HG22 H 1 0.780 0.005 . 1 . . . A 29 THR HG22 . 18559 1 52 . 1 1 29 29 THR HG23 H 1 0.780 0.005 . 1 . . . A 29 THR HG23 . 18559 1 53 . 1 1 29 29 THR C C 13 173.592 0.05 . 1 . . . A 29 THR C . 18559 1 54 . 1 1 29 29 THR CA C 13 61.934 0.05 . 1 . . . A 29 THR CA . 18559 1 55 . 1 1 29 29 THR CB C 13 69.275 0.05 . 1 . . . A 29 THR CB . 18559 1 56 . 1 1 29 29 THR CG2 C 13 20.936 0.05 . 1 . . . A 29 THR CG2 . 18559 1 57 . 1 1 29 29 THR N N 15 122.861 0.03 . 1 . . . A 29 THR N . 18559 1 58 . 1 1 30 30 ARG H H 1 8.674 0.005 . 1 . . . A 30 ARG H . 18559 1 59 . 1 1 30 30 ARG HA H 1 4.215 0.005 . 1 . . . A 30 ARG HA . 18559 1 60 . 1 1 30 30 ARG HB2 H 1 1.865 0.005 . 2 . . . A 30 ARG HB2 . 18559 1 61 . 1 1 30 30 ARG HB3 H 1 1.360 0.005 . 2 . . . A 30 ARG HB3 . 18559 1 62 . 1 1 30 30 ARG HD2 H 1 3.126 0.005 . 2 . . . A 30 ARG HD2 . 18559 1 63 . 1 1 30 30 ARG HD3 H 1 3.126 0.005 . 2 . . . A 30 ARG HD3 . 18559 1 64 . 1 1 30 30 ARG C C 13 171.875 0.05 . 1 . . . A 30 ARG C . 18559 1 65 . 1 1 30 30 ARG CA C 13 56.363 0.05 . 1 . . . A 30 ARG CA . 18559 1 66 . 1 1 30 30 ARG CB C 13 29.627 0.05 . 1 . . . A 30 ARG CB . 18559 1 67 . 1 1 30 30 ARG CD C 13 43.314 0.05 . 1 . . . A 30 ARG CD . 18559 1 68 . 1 1 30 30 ARG N N 15 130.046 0.03 . 1 . . . A 30 ARG N . 18559 1 69 . 1 1 31 31 CYS H H 1 9.699 0.005 . 1 . . . A 31 CYS H . 18559 1 70 . 1 1 31 31 CYS HA H 1 4.685 0.005 . 1 . . . A 31 CYS HA . 18559 1 71 . 1 1 31 31 CYS HB2 H 1 2.468 0.005 . 2 . . . A 31 CYS HB2 . 18559 1 72 . 1 1 31 31 CYS HB3 H 1 3.328 0.005 . 2 . . . A 31 CYS HB3 . 18559 1 73 . 1 1 31 31 CYS C C 13 176.670 0.05 . 1 . . . A 31 CYS C . 18559 1 74 . 1 1 31 31 CYS CA C 13 58.297 0.05 . 1 . . . A 31 CYS CA . 18559 1 75 . 1 1 31 31 CYS CB C 13 31.438 0.05 . 1 . . . A 31 CYS CB . 18559 1 76 . 1 1 31 31 CYS N N 15 129.467 0.03 . 1 . . . A 31 CYS N . 18559 1 77 . 1 1 32 32 ILE H H 1 8.339 0.005 . 1 . . . A 32 ILE H . 18559 1 78 . 1 1 32 32 ILE HA H 1 4.172 0.005 . 1 . . . A 32 ILE HA . 18559 1 79 . 1 1 32 32 ILE HB H 1 1.961 0.005 . 1 . . . A 32 ILE HB . 18559 1 80 . 1 1 32 32 ILE HG12 H 1 1.456 0.005 . 2 . . . A 32 ILE HG12 . 18559 1 81 . 1 1 32 32 ILE HG13 H 1 1.456 0.005 . 2 . . . A 32 ILE HG13 . 18559 1 82 . 1 1 32 32 ILE HG21 H 1 0.948 0.005 . 1 . . . A 32 ILE HG21 . 18559 1 83 . 1 1 32 32 ILE HG22 H 1 0.948 0.005 . 1 . . . A 32 ILE HG22 . 18559 1 84 . 1 1 32 32 ILE HG23 H 1 0.948 0.005 . 1 . . . A 32 ILE HG23 . 18559 1 85 . 1 1 32 32 ILE HD11 H 1 0.812 0.005 . 1 . . . A 32 ILE HD11 . 18559 1 86 . 1 1 32 32 ILE HD12 H 1 0.812 0.005 . 1 . . . A 32 ILE HD12 . 18559 1 87 . 1 1 32 32 ILE HD13 H 1 0.812 0.005 . 1 . . . A 32 ILE HD13 . 18559 1 88 . 1 1 32 32 ILE C C 13 175.689 0.05 . 1 . . . A 32 ILE C . 18559 1 89 . 1 1 32 32 ILE CA C 13 64.153 0.05 . 1 . . . A 32 ILE CA . 18559 1 90 . 1 1 32 32 ILE CB C 13 38.248 0.05 . 1 . . . A 32 ILE CB . 18559 1 91 . 1 1 32 32 ILE CG1 C 13 25.812 0.05 . 1 . . . A 32 ILE CG1 . 18559 1 92 . 1 1 32 32 ILE CG2 C 13 17.559 0.05 . 1 . . . A 32 ILE CG2 . 18559 1 93 . 1 1 32 32 ILE CD1 C 13 15.107 0.05 . 1 . . . A 32 ILE CD1 . 18559 1 94 . 1 1 32 32 ILE N N 15 124.411 0.03 . 1 . . . A 32 ILE N . 18559 1 95 . 1 1 33 33 CYS H H 1 7.551 0.005 . 1 . . . A 33 CYS H . 18559 1 96 . 1 1 33 33 CYS HA H 1 4.357 0.005 . 1 . . . A 33 CYS HA . 18559 1 97 . 1 1 33 33 CYS HB2 H 1 3.098 0.005 . 2 . . . A 33 CYS HB2 . 18559 1 98 . 1 1 33 33 CYS HB3 H 1 3.431 0.005 . 2 . . . A 33 CYS HB3 . 18559 1 99 . 1 1 33 33 CYS C C 13 175.144 0.05 . 1 . . . A 33 CYS C . 18559 1 100 . 1 1 33 33 CYS CA C 13 58.188 0.05 . 1 . . . A 33 CYS CA . 18559 1 101 . 1 1 33 33 CYS CB C 13 31.901 0.05 . 1 . . . A 33 CYS CB . 18559 1 102 . 1 1 33 33 CYS N N 15 118.895 0.03 . 1 . . . A 33 CYS N . 18559 1 103 . 1 1 34 34 GLY H H 1 7.179 0.005 . 1 . . . A 34 GLY H . 18559 1 104 . 1 1 34 34 GLY HA2 H 1 3.840 0.005 . 2 . . . A 34 GLY HA2 . 18559 1 105 . 1 1 34 34 GLY HA3 H 1 3.606 0.005 . 2 . . . A 34 GLY HA3 . 18559 1 106 . 1 1 34 34 GLY C C 13 173.891 0.05 . 1 . . . A 34 GLY C . 18559 1 107 . 1 1 34 34 GLY CA C 13 45.916 0.05 . 1 . . . A 34 GLY CA . 18559 1 108 . 1 1 34 34 GLY N N 15 107.002 0.03 . 1 . . . A 34 GLY N . 18559 1 109 . 1 1 35 35 PHE H H 1 9.044 0.005 . 1 . . . A 35 PHE H . 18559 1 110 . 1 1 35 35 PHE HA H 1 5.116 0.005 . 1 . . . A 35 PHE HA . 18559 1 111 . 1 1 35 35 PHE HB2 H 1 3.541 0.005 . 2 . . . A 35 PHE HB2 . 18559 1 112 . 1 1 35 35 PHE HB3 H 1 3.399 0.005 . 2 . . . A 35 PHE HB3 . 18559 1 113 . 1 1 35 35 PHE HD1 H 1 7.392 0.005 . 3 . . . A 35 PHE HD1 . 18559 1 114 . 1 1 35 35 PHE HD2 H 1 7.392 0.005 . 3 . . . A 35 PHE HD2 . 18559 1 115 . 1 1 35 35 PHE C C 13 178.277 0.05 . 1 . . . A 35 PHE C . 18559 1 116 . 1 1 35 35 PHE CA C 13 57.180 0.05 . 1 . . . A 35 PHE CA . 18559 1 117 . 1 1 35 35 PHE CB C 13 41.272 0.05 . 1 . . . A 35 PHE CB . 18559 1 118 . 1 1 35 35 PHE CD1 C 13 132.234 0.05 . 3 . . . A 35 PHE CD1 . 18559 1 119 . 1 1 35 35 PHE CD2 C 13 132.234 0.05 . 3 . . . A 35 PHE CD2 . 18559 1 120 . 1 1 35 35 PHE N N 15 121.857 0.03 . 1 . . . A 35 PHE N . 18559 1 121 . 1 1 36 36 THR H H 1 8.958 0.005 . 1 . . . A 36 THR H . 18559 1 122 . 1 1 36 36 THR HA H 1 4.429 0.005 . 1 . . . A 36 THR HA . 18559 1 123 . 1 1 36 36 THR HB H 1 4.620 0.005 . 1 . . . A 36 THR HB . 18559 1 124 . 1 1 36 36 THR HG21 H 1 1.099 0.005 . 1 . . . A 36 THR HG21 . 18559 1 125 . 1 1 36 36 THR HG22 H 1 1.099 0.005 . 1 . . . A 36 THR HG22 . 18559 1 126 . 1 1 36 36 THR HG23 H 1 1.099 0.005 . 1 . . . A 36 THR HG23 . 18559 1 127 . 1 1 36 36 THR C C 13 174.245 0.05 . 1 . . . A 36 THR C . 18559 1 128 . 1 1 36 36 THR CA C 13 60.789 0.05 . 1 . . . A 36 THR CA . 18559 1 129 . 1 1 36 36 THR CB C 13 69.071 0.05 . 1 . . . A 36 THR CB . 18559 1 130 . 1 1 36 36 THR CG2 C 13 21.536 0.05 . 1 . . . A 36 THR CG2 . 18559 1 131 . 1 1 36 36 THR N N 15 108.756 0.03 . 1 . . . A 36 THR N . 18559 1 132 . 1 1 37 37 HIS H H 1 7.667 0.005 . 1 . . . A 37 HIS H . 18559 1 133 . 1 1 37 37 HIS HA H 1 4.524 0.005 . 1 . . . A 37 HIS HA . 18559 1 134 . 1 1 37 37 HIS HB2 H 1 3.000 0.005 . 2 . . . A 37 HIS HB2 . 18559 1 135 . 1 1 37 37 HIS HB3 H 1 3.000 0.005 . 2 . . . A 37 HIS HB3 . 18559 1 136 . 1 1 37 37 HIS HD2 H 1 6.355 0.005 . 1 . . . A 37 HIS HD2 . 18559 1 137 . 1 1 37 37 HIS C C 13 173.237 0.05 . 1 . . . A 37 HIS C . 18559 1 138 . 1 1 37 37 HIS CA C 13 55.818 0.05 . 1 . . . A 37 HIS CA . 18559 1 139 . 1 1 37 37 HIS CB C 13 31.330 0.05 . 1 . . . A 37 HIS CB . 18559 1 140 . 1 1 37 37 HIS CD2 C 13 116.675 0.05 . 1 . . . A 37 HIS CD2 . 18559 1 141 . 1 1 37 37 HIS N N 15 118.707 0.03 . 1 . . . A 37 HIS N . 18559 1 142 . 1 1 38 38 ASP H H 1 8.625 0.005 . 1 . . . A 38 ASP H . 18559 1 143 . 1 1 38 38 ASP HA H 1 5.059 0.005 . 1 . . . A 38 ASP HA . 18559 1 144 . 1 1 38 38 ASP HB2 H 1 2.730 0.005 . 2 . . . A 38 ASP HB2 . 18559 1 145 . 1 1 38 38 ASP HB3 H 1 2.444 0.005 . 2 . . . A 38 ASP HB3 . 18559 1 146 . 1 1 38 38 ASP C C 13 177.242 0.05 . 1 . . . A 38 ASP C . 18559 1 147 . 1 1 38 38 ASP CA C 13 52.903 0.05 . 1 . . . A 38 ASP CA . 18559 1 148 . 1 1 38 38 ASP CB C 13 41.190 0.05 . 1 . . . A 38 ASP CB . 18559 1 149 . 1 1 38 38 ASP N N 15 121.670 0.03 . 1 . . . A 38 ASP N . 18559 1 150 . 1 1 39 39 ASP H H 1 7.485 0.005 . 1 . . . A 39 ASP H . 18559 1 151 . 1 1 39 39 ASP HA H 1 4.685 0.005 . 1 . . . A 39 ASP HA . 18559 1 152 . 1 1 39 39 ASP HB2 H 1 3.098 0.005 . 2 . . . A 39 ASP HB2 . 18559 1 153 . 1 1 39 39 ASP HB3 H 1 2.155 0.005 . 2 . . . A 39 ASP HB3 . 18559 1 154 . 1 1 39 39 ASP C C 13 177.078 0.05 . 1 . . . A 39 ASP C . 18559 1 155 . 1 1 39 39 ASP CA C 13 52.631 0.05 . 1 . . . A 39 ASP CA . 18559 1 156 . 1 1 39 39 ASP CB C 13 42.198 0.05 . 1 . . . A 39 ASP CB . 18559 1 157 . 1 1 39 39 ASP N N 15 125.960 0.03 . 1 . . . A 39 ASP N . 18559 1 158 . 1 1 40 40 GLY H H 1 9.106 0.005 . 1 . . . A 40 GLY H . 18559 1 159 . 1 1 40 40 GLY HA2 H 1 3.978 0.005 . 2 . . . A 40 GLY HA2 . 18559 1 160 . 1 1 40 40 GLY HA3 H 1 3.381 0.005 . 2 . . . A 40 GLY HA3 . 18559 1 161 . 1 1 40 40 GLY C C 13 173.810 0.05 . 1 . . . A 40 GLY C . 18559 1 162 . 1 1 40 40 GLY CA C 13 45.031 0.05 . 1 . . . A 40 GLY CA . 18559 1 163 . 1 1 40 40 GLY N N 15 110.058 0.03 . 1 . . . A 40 GLY N . 18559 1 164 . 1 1 41 41 TYR H H 1 8.206 0.005 . 1 . . . A 41 TYR H . 18559 1 165 . 1 1 41 41 TYR HA H 1 4.739 0.005 . 1 . . . A 41 TYR HA . 18559 1 166 . 1 1 41 41 TYR HB2 H 1 2.844 0.005 . 2 . . . A 41 TYR HB2 . 18559 1 167 . 1 1 41 41 TYR HB3 H 1 2.763 0.005 . 2 . . . A 41 TYR HB3 . 18559 1 168 . 1 1 41 41 TYR HD1 H 1 6.914 0.005 . 3 . . . A 41 TYR HD1 . 18559 1 169 . 1 1 41 41 TYR HD2 H 1 6.914 0.005 . 3 . . . A 41 TYR HD2 . 18559 1 170 . 1 1 41 41 TYR HE1 H 1 6.730 0.005 . 3 . . . A 41 TYR HE1 . 18559 1 171 . 1 1 41 41 TYR HE2 H 1 6.730 0.005 . 3 . . . A 41 TYR HE2 . 18559 1 172 . 1 1 41 41 TYR C C 13 174.027 0.05 . 1 . . . A 41 TYR C . 18559 1 173 . 1 1 41 41 TYR CA C 13 57.207 0.05 . 1 . . . A 41 TYR CA . 18559 1 174 . 1 1 41 41 TYR CB C 13 39.392 0.05 . 1 . . . A 41 TYR CB . 18559 1 175 . 1 1 41 41 TYR CD1 C 13 132.998 0.05 . 3 . . . A 41 TYR CD1 . 18559 1 176 . 1 1 41 41 TYR CD2 C 13 132.998 0.05 . 3 . . . A 41 TYR CD2 . 18559 1 177 . 1 1 41 41 TYR CE1 C 13 119.295 0.05 . 3 . . . A 41 TYR CE1 . 18559 1 178 . 1 1 41 41 TYR CE2 C 13 119.295 0.05 . 3 . . . A 41 TYR CE2 . 18559 1 179 . 1 1 41 41 TYR N N 15 121.891 0.03 . 1 . . . A 41 TYR N . 18559 1 180 . 1 1 42 42 MET H H 1 8.733 0.005 . 1 . . . A 42 MET H . 18559 1 181 . 1 1 42 42 MET HA H 1 5.566 0.005 . 1 . . . A 42 MET HA . 18559 1 182 . 1 1 42 42 MET HB2 H 1 1.920 0.005 . 2 . . . A 42 MET HB2 . 18559 1 183 . 1 1 42 42 MET HB3 H 1 2.179 0.005 . 2 . . . A 42 MET HB3 . 18559 1 184 . 1 1 42 42 MET HG2 H 1 2.306 0.005 . 2 . . . A 42 MET HG2 . 18559 1 185 . 1 1 42 42 MET HG3 H 1 2.518 0.005 . 2 . . . A 42 MET HG3 . 18559 1 186 . 1 1 42 42 MET HE1 H 1 1.436 0.005 . 1 . . . A 42 MET HE1 . 18559 1 187 . 1 1 42 42 MET HE2 H 1 1.436 0.005 . 1 . . . A 42 MET HE2 . 18559 1 188 . 1 1 42 42 MET HE3 H 1 1.436 0.005 . 1 . . . A 42 MET HE3 . 18559 1 189 . 1 1 42 42 MET C C 13 174.436 0.05 . 1 . . . A 42 MET C . 18559 1 190 . 1 1 42 42 MET CA C 13 54.156 0.05 . 1 . . . A 42 MET CA . 18559 1 191 . 1 1 42 42 MET CB C 13 35.742 0.05 . 1 . . . A 42 MET CB . 18559 1 192 . 1 1 42 42 MET CG C 13 32.078 0.05 . 1 . . . A 42 MET CG . 18559 1 193 . 1 1 42 42 MET CE C 13 15.584 0.05 . 1 . . . A 42 MET CE . 18559 1 194 . 1 1 42 42 MET N N 15 122.521 0.03 . 1 . . . A 42 MET N . 18559 1 195 . 1 1 43 43 ILE H H 1 9.315 0.005 . 1 . . . A 43 ILE H . 18559 1 196 . 1 1 43 43 ILE HA H 1 4.514 0.005 . 1 . . . A 43 ILE HA . 18559 1 197 . 1 1 43 43 ILE HB H 1 1.130 0.005 . 1 . . . A 43 ILE HB . 18559 1 198 . 1 1 43 43 ILE HG12 H 1 1.268 0.005 . 2 . . . A 43 ILE HG12 . 18559 1 199 . 1 1 43 43 ILE HG13 H 1 0.438 0.005 . 2 . . . A 43 ILE HG13 . 18559 1 200 . 1 1 43 43 ILE HG21 H 1 0.389 0.005 . 1 . . . A 43 ILE HG21 . 18559 1 201 . 1 1 43 43 ILE HG22 H 1 0.389 0.005 . 1 . . . A 43 ILE HG22 . 18559 1 202 . 1 1 43 43 ILE HG23 H 1 0.389 0.005 . 1 . . . A 43 ILE HG23 . 18559 1 203 . 1 1 43 43 ILE HD11 H 1 -0.117 0.005 . 1 . . . A 43 ILE HD11 . 18559 1 204 . 1 1 43 43 ILE HD12 H 1 -0.117 0.005 . 1 . . . A 43 ILE HD12 . 18559 1 205 . 1 1 43 43 ILE HD13 H 1 -0.117 0.005 . 1 . . . A 43 ILE HD13 . 18559 1 206 . 1 1 43 43 ILE C C 13 170.30 0.05 . 1 . . . A 43 ILE C . 18559 1 207 . 1 1 43 43 ILE CA C 13 60.068 0.05 . 1 . . . A 43 ILE CA . 18559 1 208 . 1 1 43 43 ILE CB C 13 42.634 0.05 . 1 . . . A 43 ILE CB . 18559 1 209 . 1 1 43 43 ILE CG1 C 13 28.196 0.05 . 1 . . . A 43 ILE CG1 . 18559 1 210 . 1 1 43 43 ILE CG2 C 13 15.189 0.05 . 1 . . . A 43 ILE CG2 . 18559 1 211 . 1 1 43 43 ILE CD1 C 13 12.737 0.05 . 1 . . . A 43 ILE CD1 . 18559 1 212 . 1 1 43 43 ILE N N 15 121.329 0.03 . 1 . . . A 43 ILE N . 18559 1 213 . 1 1 44 44 CYS H H 1 7.594 0.005 . 1 . . . A 44 CYS H . 18559 1 214 . 1 1 44 44 CYS HA H 1 4.344 0.005 . 1 . . . A 44 CYS HA . 18559 1 215 . 1 1 44 44 CYS HB2 H 1 1.402 0.005 . 2 . . . A 44 CYS HB2 . 18559 1 216 . 1 1 44 44 CYS HB3 H 1 -0.094 0.005 . 2 . . . A 44 CYS HB3 . 18559 1 217 . 1 1 44 44 CYS C C 13 174.218 0.05 . 1 . . . A 44 CYS C . 18559 1 218 . 1 1 44 44 CYS CA C 13 55.954 0.05 . 1 . . . A 44 CYS CA . 18559 1 219 . 1 1 44 44 CYS CB C 13 27.576 0.05 . 1 . . . A 44 CYS CB . 18559 1 220 . 1 1 44 44 CYS N N 15 126.726 0.03 . 1 . . . A 44 CYS N . 18559 1 221 . 1 1 45 45 CYS H H 1 8.866 0.005 . 1 . . . A 45 CYS H . 18559 1 222 . 1 1 45 45 CYS HA H 1 4.271 0.005 . 1 . . . A 45 CYS HA . 18559 1 223 . 1 1 45 45 CYS HB2 H 1 2.676 0.005 . 2 . . . A 45 CYS HB2 . 18559 1 224 . 1 1 45 45 CYS HB3 H 1 3.239 0.005 . 2 . . . A 45 CYS HB3 . 18559 1 225 . 1 1 45 45 CYS C C 13 177.187 0.05 . 1 . . . A 45 CYS C . 18559 1 226 . 1 1 45 45 CYS CA C 13 60.122 0.05 . 1 . . . A 45 CYS CA . 18559 1 227 . 1 1 45 45 CYS CB C 13 31.077 0.05 . 1 . . . A 45 CYS CB . 18559 1 228 . 1 1 45 45 CYS N N 15 129.654 0.03 . 1 . . . A 45 CYS N . 18559 1 229 . 1 1 46 46 ASP H H 1 9.532 0.005 . 1 . . . A 46 ASP H . 18559 1 230 . 1 1 46 46 ASP HA H 1 4.338 0.005 . 1 . . . A 46 ASP HA . 18559 1 231 . 1 1 46 46 ASP HB2 H 1 2.627 0.005 . 2 . . . A 46 ASP HB2 . 18559 1 232 . 1 1 46 46 ASP HB3 H 1 2.550 0.005 . 2 . . . A 46 ASP HB3 . 18559 1 233 . 1 1 46 46 ASP C C 13 175.934 0.05 . 1 . . . A 46 ASP C . 18559 1 234 . 1 1 46 46 ASP CA C 13 57.480 0.05 . 1 . . . A 46 ASP CA . 18559 1 235 . 1 1 46 46 ASP CB C 13 42.511 0.05 . 1 . . . A 46 ASP CB . 18559 1 236 . 1 1 46 46 ASP N N 15 131.136 0.03 . 1 . . . A 46 ASP N . 18559 1 237 . 1 1 47 47 LYS H H 1 8.769 0.005 . 1 . . . A 47 LYS H . 18559 1 238 . 1 1 47 47 LYS HA H 1 4.419 0.005 . 1 . . . A 47 LYS HA . 18559 1 239 . 1 1 47 47 LYS HB2 H 1 1.712 0.005 . 2 . . . A 47 LYS HB2 . 18559 1 240 . 1 1 47 47 LYS HB3 H 1 2.342 0.005 . 2 . . . A 47 LYS HB3 . 18559 1 241 . 1 1 47 47 LYS HG2 H 1 1.267 0.005 . 2 . . . A 47 LYS HG2 . 18559 1 242 . 1 1 47 47 LYS HG3 H 1 1.267 0.005 . 2 . . . A 47 LYS HG3 . 18559 1 243 . 1 1 47 47 LYS HD2 H 1 1.610 0.005 . 2 . . . A 47 LYS HD2 . 18559 1 244 . 1 1 47 47 LYS HD3 H 1 1.704 0.005 . 2 . . . A 47 LYS HD3 . 18559 1 245 . 1 1 47 47 LYS HE2 H 1 2.914 0.005 . 2 . . . A 47 LYS HE2 . 18559 1 246 . 1 1 47 47 LYS HE3 H 1 2.914 0.005 . 2 . . . A 47 LYS HE3 . 18559 1 247 . 1 1 47 47 LYS C C 13 177.351 0.05 . 1 . . . A 47 LYS C . 18559 1 248 . 1 1 47 47 LYS CA C 13 58.406 0.05 . 1 . . . A 47 LYS CA . 18559 1 249 . 1 1 47 47 LYS CB C 13 33.999 0.05 . 1 . . . A 47 LYS CB . 18559 1 250 . 1 1 47 47 LYS CG C 13 25.690 0.05 . 1 . . . A 47 LYS CG . 18559 1 251 . 1 1 47 47 LYS CD C 13 29.191 0.05 . 1 . . . A 47 LYS CD . 18559 1 252 . 1 1 47 47 LYS CE C 13 42.143 0.05 . 1 . . . A 47 LYS CE . 18559 1 253 . 1 1 47 47 LYS N N 15 120.648 0.03 . 1 . . . A 47 LYS N . 18559 1 254 . 1 1 48 48 CYS H H 1 8.454 0.005 . 1 . . . A 48 CYS H . 18559 1 255 . 1 1 48 48 CYS HA H 1 4.859 0.005 . 1 . . . A 48 CYS HA . 18559 1 256 . 1 1 48 48 CYS HB2 H 1 3.148 0.005 . 2 . . . A 48 CYS HB2 . 18559 1 257 . 1 1 48 48 CYS HB3 H 1 2.339 0.005 . 2 . . . A 48 CYS HB3 . 18559 1 258 . 1 1 48 48 CYS C C 13 176.261 0.05 . 1 . . . A 48 CYS C . 18559 1 259 . 1 1 48 48 CYS CA C 13 59.333 0.05 . 1 . . . A 48 CYS CA . 18559 1 260 . 1 1 48 48 CYS CB C 13 31.616 0.05 . 1 . . . A 48 CYS CB . 18559 1 261 . 1 1 48 48 CYS N N 15 119.797 0.03 . 1 . . . A 48 CYS N . 18559 1 262 . 1 1 49 49 SER H H 1 7.473 0.005 . 1 . . . A 49 SER H . 18559 1 263 . 1 1 49 49 SER HA H 1 3.967 0.005 . 1 . . . A 49 SER HA . 18559 1 264 . 1 1 49 49 SER HB2 H 1 4.399 0.005 . 2 . . . A 49 SER HB2 . 18559 1 265 . 1 1 49 49 SER HB3 H 1 4.399 0.005 . 2 . . . A 49 SER HB3 . 18559 1 266 . 1 1 49 49 SER C C 13 173.510 0.05 . 1 . . . A 49 SER C . 18559 1 267 . 1 1 49 49 SER CA C 13 61.539 0.05 . 1 . . . A 49 SER CA . 18559 1 268 . 1 1 49 49 SER CB C 13 60.040 0.05 . 1 . . . A 49 SER CB . 18559 1 269 . 1 1 49 49 SER N N 15 113.429 0.03 . 1 . . . A 49 SER N . 18559 1 270 . 1 1 50 50 VAL H H 1 7.619 0.005 . 1 . . . A 50 VAL H . 18559 1 271 . 1 1 50 50 VAL HA H 1 4.617 0.005 . 1 . . . A 50 VAL HA . 18559 1 272 . 1 1 50 50 VAL HB H 1 2.163 0.005 . 1 . . . A 50 VAL HB . 18559 1 273 . 1 1 50 50 VAL HG11 H 1 1.035 0.005 . 2 . . . A 50 VAL HG11 . 18559 1 274 . 1 1 50 50 VAL HG12 H 1 1.035 0.005 . 2 . . . A 50 VAL HG12 . 18559 1 275 . 1 1 50 50 VAL HG13 H 1 1.035 0.005 . 2 . . . A 50 VAL HG13 . 18559 1 276 . 1 1 50 50 VAL HG21 H 1 0.993 0.005 . 2 . . . A 50 VAL HG21 . 18559 1 277 . 1 1 50 50 VAL HG22 H 1 0.993 0.005 . 2 . . . A 50 VAL HG22 . 18559 1 278 . 1 1 50 50 VAL HG23 H 1 0.993 0.005 . 2 . . . A 50 VAL HG23 . 18559 1 279 . 1 1 50 50 VAL C C 13 174.736 0.05 . 1 . . . A 50 VAL C . 18559 1 280 . 1 1 50 50 VAL CA C 13 61.825 0.05 . 1 . . . A 50 VAL CA . 18559 1 281 . 1 1 50 50 VAL CB C 13 32.936 0.05 . 1 . . . A 50 VAL CB . 18559 1 282 . 1 1 50 50 VAL CG1 C 13 21.890 0.05 . 2 . . . A 50 VAL CG1 . 18559 1 283 . 1 1 50 50 VAL CG2 C 13 19.929 0.05 . 2 . . . A 50 VAL CG2 . 18559 1 284 . 1 1 50 50 VAL N N 15 116.375 0.03 . 1 . . . A 50 VAL N . 18559 1 285 . 1 1 51 51 TRP H H 1 8.888 0.005 . 1 . . . A 51 TRP H . 18559 1 286 . 1 1 51 51 TRP HA H 1 5.068 0.005 . 1 . . . A 51 TRP HA . 18559 1 287 . 1 1 51 51 TRP HB2 H 1 2.998 0.005 . 2 . . . A 51 TRP HB2 . 18559 1 288 . 1 1 51 51 TRP HB3 H 1 2.751 0.005 . 2 . . . A 51 TRP HB3 . 18559 1 289 . 1 1 51 51 TRP HD1 H 1 7.251 0.005 . 1 . . . A 51 TRP HD1 . 18559 1 290 . 1 1 51 51 TRP HE1 H 1 10.263 0.005 . 1 . . . A 51 TRP HE1 . 18559 1 291 . 1 1 51 51 TRP HE3 H 1 7.117 0.005 . 1 . . . A 51 TRP HE3 . 18559 1 292 . 1 1 51 51 TRP HZ2 H 1 7.370 0.005 . 1 . . . A 51 TRP HZ2 . 18559 1 293 . 1 1 51 51 TRP HZ3 H 1 6.766 0.005 . 1 . . . A 51 TRP HZ3 . 18559 1 294 . 1 1 51 51 TRP HH2 H 1 7.035 0.005 . 1 . . . A 51 TRP HH2 . 18559 1 295 . 1 1 51 51 TRP C C 13 176.043 0.05 . 1 . . . A 51 TRP C . 18559 1 296 . 1 1 51 51 TRP CA C 13 56.418 0.05 . 1 . . . A 51 TRP CA . 18559 1 297 . 1 1 51 51 TRP CB C 13 30.172 0.05 . 1 . . . A 51 TRP CB . 18559 1 298 . 1 1 51 51 TRP CD1 C 13 128.085 0.05 . 1 . . . A 51 TRP CD1 . 18559 1 299 . 1 1 51 51 TRP CE3 C 13 120.114 0.05 . 1 . . . A 51 TRP CE3 . 18559 1 300 . 1 1 51 51 TRP CZ2 C 13 115.228 0.05 . 1 . . . A 51 TRP CZ2 . 18559 1 301 . 1 1 51 51 TRP CZ3 C 13 121.097 0.05 . 1 . . . A 51 TRP CZ3 . 18559 1 302 . 1 1 51 51 TRP CH2 C 13 124.427 0.05 . 1 . . . A 51 TRP CH2 . 18559 1 303 . 1 1 51 51 TRP N N 15 121.823 0.03 . 1 . . . A 51 TRP N . 18559 1 304 . 1 1 51 51 TRP NE1 N 15 130.821 0.03 . 1 . . . A 51 TRP NE1 . 18559 1 305 . 1 1 52 52 GLN H H 1 9.266 0.005 . 1 . . . A 52 GLN H . 18559 1 306 . 1 1 52 52 GLN HA H 1 4.406 0.005 . 1 . . . A 52 GLN HA . 18559 1 307 . 1 1 52 52 GLN HB2 H 1 2.514 0.005 . 2 . . . A 52 GLN HB2 . 18559 1 308 . 1 1 52 52 GLN HB3 H 1 1.701 0.005 . 2 . . . A 52 GLN HB3 . 18559 1 309 . 1 1 52 52 GLN HG2 H 1 2.037 0.005 . 2 . . . A 52 GLN HG2 . 18559 1 310 . 1 1 52 52 GLN HG3 H 1 2.457 0.005 . 2 . . . A 52 GLN HG3 . 18559 1 311 . 1 1 52 52 GLN HE21 H 1 8.270 0.005 . 2 . . . A 52 GLN HE21 . 18559 1 312 . 1 1 52 52 GLN HE22 H 1 8.002 0.005 . 2 . . . A 52 GLN HE22 . 18559 1 313 . 1 1 52 52 GLN C C 13 174.599 0.05 . 1 . . . A 52 GLN C . 18559 1 314 . 1 1 52 52 GLN CA C 13 54.102 0.05 . 1 . . . A 52 GLN CA . 18559 1 315 . 1 1 52 52 GLN CB C 13 32.779 0.05 . 1 . . . A 52 GLN CB . 18559 1 316 . 1 1 52 52 GLN CG C 13 35.006 0.05 . 1 . . . A 52 GLN CG . 18559 1 317 . 1 1 52 52 GLN N N 15 116.664 0.03 . 1 . . . A 52 GLN N . 18559 1 318 . 1 1 52 52 GLN NE2 N 15 113.659 0.03 . 1 . . . A 52 GLN NE2 . 18559 1 319 . 1 1 53 53 HIS H H 1 9.159 0.005 . 1 . . . A 53 HIS H . 18559 1 320 . 1 1 53 53 HIS HA H 1 4.931 0.005 . 1 . . . A 53 HIS HA . 18559 1 321 . 1 1 53 53 HIS HB2 H 1 3.740 0.005 . 2 . . . A 53 HIS HB2 . 18559 1 322 . 1 1 53 53 HIS HB3 H 1 4.145 0.005 . 2 . . . A 53 HIS HB3 . 18559 1 323 . 1 1 53 53 HIS HD2 H 1 7.221 0.005 . 1 . . . A 53 HIS HD2 . 18559 1 324 . 1 1 53 53 HIS HE1 H 1 6.916 0.005 . 1 . . . A 53 HIS HE1 . 18559 1 325 . 1 1 53 53 HIS C C 13 176.534 0.05 . 1 . . . A 53 HIS C . 18559 1 326 . 1 1 53 53 HIS CA C 13 57.589 0.05 . 1 . . . A 53 HIS CA . 18559 1 327 . 1 1 53 53 HIS CB C 13 30.335 0.05 . 1 . . . A 53 HIS CB . 18559 1 328 . 1 1 53 53 HIS CD2 C 13 118.367 0.05 . 1 . . . A 53 HIS CD2 . 18559 1 329 . 1 1 53 53 HIS CE1 C 13 137.966 0.05 . 1 . . . A 53 HIS CE1 . 18559 1 330 . 1 1 53 53 HIS N N 15 122.436 0.03 . 1 . . . A 53 HIS N . 18559 1 331 . 1 1 54 54 ILE H H 1 8.850 0.005 . 1 . . . A 54 ILE H . 18559 1 332 . 1 1 54 54 ILE HA H 1 3.272 0.005 . 1 . . . A 54 ILE HA . 18559 1 333 . 1 1 54 54 ILE HB H 1 1.756 0.005 . 1 . . . A 54 ILE HB . 18559 1 334 . 1 1 54 54 ILE HG12 H 1 1.336 0.005 . 2 . . . A 54 ILE HG12 . 18559 1 335 . 1 1 54 54 ILE HG13 H 1 0.726 0.005 . 2 . . . A 54 ILE HG13 . 18559 1 336 . 1 1 54 54 ILE HG21 H 1 0.669 0.005 . 1 . . . A 54 ILE HG21 . 18559 1 337 . 1 1 54 54 ILE HG22 H 1 0.669 0.005 . 1 . . . A 54 ILE HG22 . 18559 1 338 . 1 1 54 54 ILE HG23 H 1 0.669 0.005 . 1 . . . A 54 ILE HG23 . 18559 1 339 . 1 1 54 54 ILE HD11 H 1 0.690 0.005 . 1 . . . A 54 ILE HD11 . 18559 1 340 . 1 1 54 54 ILE HD12 H 1 0.690 0.005 . 1 . . . A 54 ILE HD12 . 18559 1 341 . 1 1 54 54 ILE HD13 H 1 0.690 0.005 . 1 . . . A 54 ILE HD13 . 18559 1 342 . 1 1 54 54 ILE C C 13 177.323 0.05 . 1 . . . A 54 ILE C . 18559 1 343 . 1 1 54 54 ILE CA C 13 66.660 0.05 . 1 . . . A 54 ILE CA . 18559 1 344 . 1 1 54 54 ILE CB C 13 37.840 0.05 . 1 . . . A 54 ILE CB . 18559 1 345 . 1 1 54 54 ILE CG1 C 13 30.907 0.05 . 1 . . . A 54 ILE CG1 . 18559 1 346 . 1 1 54 54 ILE CG2 C 13 16.932 0.05 . 1 . . . A 54 ILE CG2 . 18559 1 347 . 1 1 54 54 ILE CD1 C 13 13.990 0.05 . 1 . . . A 54 ILE CD1 . 18559 1 348 . 1 1 54 54 ILE N N 15 126.794 0.03 . 1 . . . A 54 ILE N . 18559 1 349 . 1 1 55 55 ASP H H 1 9.953 0.005 . 1 . . . A 55 ASP H . 18559 1 350 . 1 1 55 55 ASP HA H 1 4.426 0.005 . 1 . . . A 55 ASP HA . 18559 1 351 . 1 1 55 55 ASP HB2 H 1 2.642 0.005 . 2 . . . A 55 ASP HB2 . 18559 1 352 . 1 1 55 55 ASP HB3 H 1 2.247 0.005 . 2 . . . A 55 ASP HB3 . 18559 1 353 . 1 1 55 55 ASP C C 13 180.347 0.05 . 1 . . . A 55 ASP C . 18559 1 354 . 1 1 55 55 ASP CA C 13 56.935 0.05 . 1 . . . A 55 ASP CA . 18559 1 355 . 1 1 55 55 ASP CB C 13 40.972 0.05 . 1 . . . A 55 ASP CB . 18559 1 356 . 1 1 55 55 ASP N N 15 118.043 0.03 . 1 . . . A 55 ASP N . 18559 1 357 . 1 1 56 56 CYS H H 1 6.866 0.005 . 1 . . . A 56 CYS H . 18559 1 358 . 1 1 56 56 CYS HA H 1 3.766 0.005 . 1 . . . A 56 CYS HA . 18559 1 359 . 1 1 56 56 CYS HB2 H 1 3.101 0.005 . 2 . . . A 56 CYS HB2 . 18559 1 360 . 1 1 56 56 CYS HB3 H 1 2.822 0.005 . 2 . . . A 56 CYS HB3 . 18559 1 361 . 1 1 56 56 CYS C C 13 176.179 0.05 . 1 . . . A 56 CYS C . 18559 1 362 . 1 1 56 56 CYS CA C 13 63.935 0.05 . 1 . . . A 56 CYS CA . 18559 1 363 . 1 1 56 56 CYS CB C 13 31.561 0.05 . 1 . . . A 56 CYS CB . 18559 1 364 . 1 1 56 56 CYS N N 15 119.695 0.03 . 1 . . . A 56 CYS N . 18559 1 365 . 1 1 57 57 MET H H 1 7.164 0.005 . 1 . . . A 57 MET H . 18559 1 366 . 1 1 57 57 MET HA H 1 4.733 0.005 . 1 . . . A 57 MET HA . 18559 1 367 . 1 1 57 57 MET HB2 H 1 2.424 0.005 . 2 . . . A 57 MET HB2 . 18559 1 368 . 1 1 57 57 MET HB3 H 1 1.653 0.005 . 2 . . . A 57 MET HB3 . 18559 1 369 . 1 1 57 57 MET HE1 H 1 1.436 0.005 . 1 . . . A 57 MET HE1 . 18559 1 370 . 1 1 57 57 MET HE2 H 1 1.436 0.005 . 1 . . . A 57 MET HE2 . 18559 1 371 . 1 1 57 57 MET HE3 H 1 1.436 0.005 . 1 . . . A 57 MET HE3 . 18559 1 372 . 1 1 57 57 MET C C 13 177.623 0.05 . 1 . . . A 57 MET C . 18559 1 373 . 1 1 57 57 MET CA C 13 53.012 0.05 . 1 . . . A 57 MET CA . 18559 1 374 . 1 1 57 57 MET CB C 13 28.965 0.05 . 1 . . . A 57 MET CB . 18559 1 375 . 1 1 57 57 MET CE C 13 15.584 0.05 . 1 . . . A 57 MET CE . 18559 1 376 . 1 1 57 57 MET N N 15 111.778 0.03 . 1 . . . A 57 MET N . 18559 1 377 . 1 1 58 58 GLY H H 1 7.579 0.005 . 1 . . . A 58 GLY H . 18559 1 378 . 1 1 58 58 GLY HA2 H 1 3.956 0.005 . 2 . . . A 58 GLY HA2 . 18559 1 379 . 1 1 58 58 GLY HA3 H 1 3.785 0.005 . 2 . . . A 58 GLY HA3 . 18559 1 380 . 1 1 58 58 GLY C C 13 174.409 0.05 . 1 . . . A 58 GLY C . 18559 1 381 . 1 1 58 58 GLY CA C 13 46.311 0.05 . 1 . . . A 58 GLY CA . 18559 1 382 . 1 1 58 58 GLY N N 15 107.054 0.03 . 1 . . . A 58 GLY N . 18559 1 383 . 1 1 59 59 ILE H H 1 7.360 0.005 . 1 . . . A 59 ILE H . 18559 1 384 . 1 1 59 59 ILE HA H 1 3.960 0.005 . 1 . . . A 59 ILE HA . 18559 1 385 . 1 1 59 59 ILE HB H 1 1.674 0.005 . 1 . . . A 59 ILE HB . 18559 1 386 . 1 1 59 59 ILE HG12 H 1 1.294 0.005 . 2 . . . A 59 ILE HG12 . 18559 1 387 . 1 1 59 59 ILE HG13 H 1 1.152 0.005 . 2 . . . A 59 ILE HG13 . 18559 1 388 . 1 1 59 59 ILE HG21 H 1 0.780 0.005 . 1 . . . A 59 ILE HG21 . 18559 1 389 . 1 1 59 59 ILE HG22 H 1 0.780 0.005 . 1 . . . A 59 ILE HG22 . 18559 1 390 . 1 1 59 59 ILE HG23 H 1 0.780 0.005 . 1 . . . A 59 ILE HG23 . 18559 1 391 . 1 1 59 59 ILE HD11 H 1 0.759 0.005 . 1 . . . A 59 ILE HD11 . 18559 1 392 . 1 1 59 59 ILE HD12 H 1 0.759 0.005 . 1 . . . A 59 ILE HD12 . 18559 1 393 . 1 1 59 59 ILE HD13 H 1 0.759 0.005 . 1 . . . A 59 ILE HD13 . 18559 1 394 . 1 1 59 59 ILE C C 13 174.055 0.05 . 1 . . . A 59 ILE C . 18559 1 395 . 1 1 59 59 ILE CA C 13 59.237 0.05 . 1 . . . A 59 ILE CA . 18559 1 396 . 1 1 59 59 ILE CB C 13 38.930 0.05 . 1 . . . A 59 ILE CB . 18559 1 397 . 1 1 59 59 ILE CG1 C 13 27.719 0.05 . 1 . . . A 59 ILE CG1 . 18559 1 398 . 1 1 59 59 ILE CG2 C 13 18.022 0.05 . 1 . . . A 59 ILE CG2 . 18559 1 399 . 1 1 59 59 ILE CD1 C 13 13.173 0.05 . 1 . . . A 59 ILE CD1 . 18559 1 400 . 1 1 59 59 ILE N N 15 121.567 0.03 . 1 . . . A 59 ILE N . 18559 1 401 . 1 1 60 60 ASP H H 1 8.509 0.005 . 1 . . . A 60 ASP H . 18559 1 402 . 1 1 60 60 ASP HA H 1 4.377 0.005 . 1 . . . A 60 ASP HA . 18559 1 403 . 1 1 60 60 ASP HB2 H 1 2.737 0.005 . 2 . . . A 60 ASP HB2 . 18559 1 404 . 1 1 60 60 ASP HB3 H 1 2.601 0.005 . 2 . . . A 60 ASP HB3 . 18559 1 405 . 1 1 60 60 ASP C C 13 177.133 0.05 . 1 . . . A 60 ASP C . 18559 1 406 . 1 1 60 60 ASP CA C 13 53.666 0.05 . 1 . . . A 60 ASP CA . 18559 1 407 . 1 1 60 60 ASP CB C 13 42.607 0.05 . 1 . . . A 60 ASP CB . 18559 1 408 . 1 1 60 60 ASP N N 15 127.807 0.03 . 1 . . . A 60 ASP N . 18559 1 409 . 1 1 61 61 ARG H H 1 8.463 0.005 . 1 . . . A 61 ARG H . 18559 1 410 . 1 1 61 61 ARG HA H 1 3.673 0.005 . 1 . . . A 61 ARG HA . 18559 1 411 . 1 1 61 61 ARG HB2 H 1 1.719 0.005 . 2 . . . A 61 ARG HB2 . 18559 1 412 . 1 1 61 61 ARG HB3 H 1 1.591 0.005 . 2 . . . A 61 ARG HB3 . 18559 1 413 . 1 1 61 61 ARG HG2 H 1 1.661 0.005 . 2 . . . A 61 ARG HG2 . 18559 1 414 . 1 1 61 61 ARG HG3 H 1 1.284 0.005 . 2 . . . A 61 ARG HG3 . 18559 1 415 . 1 1 61 61 ARG HD2 H 1 2.706 0.005 . 2 . . . A 61 ARG HD2 . 18559 1 416 . 1 1 61 61 ARG HD3 H 1 2.440 0.005 . 2 . . . A 61 ARG HD3 . 18559 1 417 . 1 1 61 61 ARG C C 13 177.269 0.05 . 1 . . . A 61 ARG C . 18559 1 418 . 1 1 61 61 ARG CA C 13 59.033 0.05 . 1 . . . A 61 ARG CA . 18559 1 419 . 1 1 61 61 ARG CB C 13 30.975 0.05 . 1 . . . A 61 ARG CB . 18559 1 420 . 1 1 61 61 ARG CG C 13 27.460 0.05 . 1 . . . A 61 ARG CG . 18559 1 421 . 1 1 61 61 ARG CD C 13 43.641 0.05 . 1 . . . A 61 ARG CD . 18559 1 422 . 1 1 61 61 ARG N N 15 124.938 0.03 . 1 . . . A 61 ARG N . 18559 1 423 . 1 1 62 62 GLN H H 1 8.545 0.005 . 1 . . . A 62 GLN H . 18559 1 424 . 1 1 62 62 GLN HA H 1 4.126 0.005 . 1 . . . A 62 GLN HA . 18559 1 425 . 1 1 62 62 GLN HB2 H 1 1.831 0.005 . 2 . . . A 62 GLN HB2 . 18559 1 426 . 1 1 62 62 GLN HB3 H 1 1.724 0.005 . 2 . . . A 62 GLN HB3 . 18559 1 427 . 1 1 62 62 GLN HG2 H 1 2.213 0.005 . 2 . . . A 62 GLN HG2 . 18559 1 428 . 1 1 62 62 GLN HG3 H 1 2.104 0.005 . 2 . . . A 62 GLN HG3 . 18559 1 429 . 1 1 62 62 GLN HE21 H 1 7.521 0.005 . 2 . . . A 62 GLN HE21 . 18559 1 430 . 1 1 62 62 GLN HE22 H 1 6.745 0.005 . 2 . . . A 62 GLN HE22 . 18559 1 431 . 1 1 62 62 GLN C C 13 175.471 0.05 . 1 . . . A 62 GLN C . 18559 1 432 . 1 1 62 62 GLN CA C 13 55.845 0.05 . 1 . . . A 62 GLN CA . 18559 1 433 . 1 1 62 62 GLN CB C 13 29.136 0.05 . 1 . . . A 62 GLN CB . 18559 1 434 . 1 1 62 62 GLN CG C 13 34.516 0.05 . 1 . . . A 62 GLN CG . 18559 1 435 . 1 1 62 62 GLN N N 15 114.298 0.03 . 1 . . . A 62 GLN N . 18559 1 436 . 1 1 62 62 GLN NE2 N 15 112.263 0.03 . 1 . . . A 62 GLN NE2 . 18559 1 437 . 1 1 63 63 HIS H H 1 7.872 0.005 . 1 . . . A 63 HIS H . 18559 1 438 . 1 1 63 63 HIS HA H 1 4.719 0.005 . 1 . . . A 63 HIS HA . 18559 1 439 . 1 1 63 63 HIS HB2 H 1 3.079 0.005 . 2 . . . A 63 HIS HB2 . 18559 1 440 . 1 1 63 63 HIS HB3 H 1 2.644 0.005 . 2 . . . A 63 HIS HB3 . 18559 1 441 . 1 1 63 63 HIS C C 13 173.755 0.05 . 1 . . . A 63 HIS C . 18559 1 442 . 1 1 63 63 HIS CA C 13 54.265 0.05 . 1 . . . A 63 HIS CA . 18559 1 443 . 1 1 63 63 HIS CB C 13 30.715 0.05 . 1 . . . A 63 HIS CB . 18559 1 444 . 1 1 63 63 HIS N N 15 120.597 0.03 . 1 . . . A 63 HIS N . 18559 1 445 . 1 1 64 64 ILE H H 1 8.289 0.005 . 1 . . . A 64 ILE H . 18559 1 446 . 1 1 64 64 ILE HA H 1 3.965 0.005 . 1 . . . A 64 ILE HA . 18559 1 447 . 1 1 64 64 ILE HB H 1 1.720 0.005 . 1 . . . A 64 ILE HB . 18559 1 448 . 1 1 64 64 ILE HG12 H 1 1.595 0.005 . 2 . . . A 64 ILE HG12 . 18559 1 449 . 1 1 64 64 ILE HG13 H 1 0.998 0.005 . 2 . . . A 64 ILE HG13 . 18559 1 450 . 1 1 64 64 ILE HG21 H 1 0.865 0.005 . 1 . . . A 64 ILE HG21 . 18559 1 451 . 1 1 64 64 ILE HG22 H 1 0.865 0.005 . 1 . . . A 64 ILE HG22 . 18559 1 452 . 1 1 64 64 ILE HG23 H 1 0.865 0.005 . 1 . . . A 64 ILE HG23 . 18559 1 453 . 1 1 64 64 ILE HD11 H 1 0.794 0.005 . 1 . . . A 64 ILE HD11 . 18559 1 454 . 1 1 64 64 ILE HD12 H 1 0.794 0.005 . 1 . . . A 64 ILE HD12 . 18559 1 455 . 1 1 64 64 ILE HD13 H 1 0.794 0.005 . 1 . . . A 64 ILE HD13 . 18559 1 456 . 1 1 64 64 ILE CA C 13 59.359 0.05 . 1 . . . A 64 ILE CA . 18559 1 457 . 1 1 64 64 ILE CB C 13 37.757 0.05 . 1 . . . A 64 ILE CB . 18559 1 458 . 1 1 64 64 ILE CG1 C 13 27.950 0.05 . 1 . . . A 64 ILE CG1 . 18559 1 459 . 1 1 64 64 ILE CG2 C 13 16.932 0.05 . 1 . . . A 64 ILE CG2 . 18559 1 460 . 1 1 64 64 ILE CD1 C 13 12.683 0.05 . 1 . . . A 64 ILE CD1 . 18559 1 461 . 1 1 64 64 ILE N N 15 126.352 0.03 . 1 . . . A 64 ILE N . 18559 1 462 . 1 1 65 65 PRO HA H 1 4.528 0.005 . 1 . . . A 65 PRO HA . 18559 1 463 . 1 1 65 65 PRO HB2 H 1 2.331 0.005 . 2 . . . A 65 PRO HB2 . 18559 1 464 . 1 1 65 65 PRO HB3 H 1 2.331 0.005 . 2 . . . A 65 PRO HB3 . 18559 1 465 . 1 1 65 65 PRO HG2 H 1 2.074 0.005 . 2 . . . A 65 PRO HG2 . 18559 1 466 . 1 1 65 65 PRO HG3 H 1 2.215 0.005 . 2 . . . A 65 PRO HG3 . 18559 1 467 . 1 1 65 65 PRO HD2 H 1 3.483 0.005 . 2 . . . A 65 PRO HD2 . 18559 1 468 . 1 1 65 65 PRO HD3 H 1 3.884 0.005 . 2 . . . A 65 PRO HD3 . 18559 1 469 . 1 1 65 65 PRO C C 13 175.853 0.05 . 1 . . . A 65 PRO C . 18559 1 470 . 1 1 65 65 PRO CA C 13 62.682 0.05 . 1 . . . A 65 PRO CA . 18559 1 471 . 1 1 65 65 PRO CB C 13 32.637 0.05 . 1 . . . A 65 PRO CB . 18559 1 472 . 1 1 65 65 PRO CG C 13 27.147 0.05 . 1 . . . A 65 PRO CG . 18559 1 473 . 1 1 65 65 PRO CD C 13 50.956 0.05 . 1 . . . A 65 PRO CD . 18559 1 474 . 1 1 66 66 ASP H H 1 8.425 0.005 . 1 . . . A 66 ASP H . 18559 1 475 . 1 1 66 66 ASP HA H 1 4.358 0.005 . 1 . . . A 66 ASP HA . 18559 1 476 . 1 1 66 66 ASP HB2 H 1 2.655 0.005 . 2 . . . A 66 ASP HB2 . 18559 1 477 . 1 1 66 66 ASP HB3 H 1 2.655 0.005 . 2 . . . A 66 ASP HB3 . 18559 1 478 . 1 1 66 66 ASP C C 13 176.152 0.05 . 1 . . . A 66 ASP C . 18559 1 479 . 1 1 66 66 ASP CA C 13 55.900 0.05 . 1 . . . A 66 ASP CA . 18559 1 480 . 1 1 66 66 ASP CB C 13 41.081 0.05 . 1 . . . A 66 ASP CB . 18559 1 481 . 1 1 66 66 ASP N N 15 118.690 0.03 . 1 . . . A 66 ASP N . 18559 1 482 . 1 1 67 67 THR H H 1 7.523 0.005 . 1 . . . A 67 THR H . 18559 1 483 . 1 1 67 67 THR HA H 1 4.544 0.005 . 1 . . . A 67 THR HA . 18559 1 484 . 1 1 67 67 THR HB H 1 3.984 0.005 . 1 . . . A 67 THR HB . 18559 1 485 . 1 1 67 67 THR HG21 H 1 1.046 0.005 . 1 . . . A 67 THR HG21 . 18559 1 486 . 1 1 67 67 THR HG22 H 1 1.046 0.005 . 1 . . . A 67 THR HG22 . 18559 1 487 . 1 1 67 67 THR HG23 H 1 1.046 0.005 . 1 . . . A 67 THR HG23 . 18559 1 488 . 1 1 67 67 THR C C 13 172.448 0.05 . 1 . . . A 67 THR C . 18559 1 489 . 1 1 67 67 THR CA C 13 60.190 0.05 . 1 . . . A 67 THR CA . 18559 1 490 . 1 1 67 67 THR CB C 13 70.882 0.05 . 1 . . . A 67 THR CB . 18559 1 491 . 1 1 67 67 THR CG2 C 13 21.127 0.05 . 1 . . . A 67 THR CG2 . 18559 1 492 . 1 1 67 67 THR N N 15 111.199 0.03 . 1 . . . A 67 THR N . 18559 1 493 . 1 1 68 68 TYR H H 1 8.734 0.005 . 1 . . . A 68 TYR H . 18559 1 494 . 1 1 68 68 TYR HA H 1 4.297 0.005 . 1 . . . A 68 TYR HA . 18559 1 495 . 1 1 68 68 TYR HB2 H 1 2.714 0.005 . 2 . . . A 68 TYR HB2 . 18559 1 496 . 1 1 68 68 TYR HB3 H 1 2.596 0.005 . 2 . . . A 68 TYR HB3 . 18559 1 497 . 1 1 68 68 TYR HD1 H 1 6.910 0.005 . 3 . . . A 68 TYR HD1 . 18559 1 498 . 1 1 68 68 TYR HD2 H 1 6.910 0.005 . 3 . . . A 68 TYR HD2 . 18559 1 499 . 1 1 68 68 TYR HE1 H 1 6.355 0.005 . 3 . . . A 68 TYR HE1 . 18559 1 500 . 1 1 68 68 TYR HE2 H 1 6.355 0.005 . 3 . . . A 68 TYR HE2 . 18559 1 501 . 1 1 68 68 TYR C C 13 171.821 0.05 . 1 . . . A 68 TYR C . 18559 1 502 . 1 1 68 68 TYR CA C 13 59.114 0.05 . 1 . . . A 68 TYR CA . 18559 1 503 . 1 1 68 68 TYR CB C 13 40.863 0.05 . 1 . . . A 68 TYR CB . 18559 1 504 . 1 1 68 68 TYR CD1 C 13 133.107 0.05 . 3 . . . A 68 TYR CD1 . 18559 1 505 . 1 1 68 68 TYR CD2 C 13 133.107 0.05 . 3 . . . A 68 TYR CD2 . 18559 1 506 . 1 1 68 68 TYR CE1 C 13 116.675 0.05 . 3 . . . A 68 TYR CE1 . 18559 1 507 . 1 1 68 68 TYR CE2 C 13 116.675 0.05 . 3 . . . A 68 TYR CE2 . 18559 1 508 . 1 1 68 68 TYR N N 15 125.228 0.03 . 1 . . . A 68 TYR N . 18559 1 509 . 1 1 69 69 LEU H H 1 6.569 0.005 . 1 . . . A 69 LEU H . 18559 1 510 . 1 1 69 69 LEU HA H 1 5.472 0.005 . 1 . . . A 69 LEU HA . 18559 1 511 . 1 1 69 69 LEU HB2 H 1 1.370 0.005 . 2 . . . A 69 LEU HB2 . 18559 1 512 . 1 1 69 69 LEU HB3 H 1 1.013 0.005 . 2 . . . A 69 LEU HB3 . 18559 1 513 . 1 1 69 69 LEU HG H 1 1.459 0.005 . 1 . . . A 69 LEU HG . 18559 1 514 . 1 1 69 69 LEU HD11 H 1 0.726 0.005 . 2 . . . A 69 LEU HD11 . 18559 1 515 . 1 1 69 69 LEU HD12 H 1 0.726 0.005 . 2 . . . A 69 LEU HD12 . 18559 1 516 . 1 1 69 69 LEU HD13 H 1 0.726 0.005 . 2 . . . A 69 LEU HD13 . 18559 1 517 . 1 1 69 69 LEU HD21 H 1 0.914 0.005 . 2 . . . A 69 LEU HD21 . 18559 1 518 . 1 1 69 69 LEU HD22 H 1 0.914 0.005 . 2 . . . A 69 LEU HD22 . 18559 1 519 . 1 1 69 69 LEU HD23 H 1 0.914 0.005 . 2 . . . A 69 LEU HD23 . 18559 1 520 . 1 1 69 69 LEU C C 13 176.751 0.05 . 1 . . . A 69 LEU C . 18559 1 521 . 1 1 69 69 LEU CA C 13 52.072 0.05 . 1 . . . A 69 LEU CA . 18559 1 522 . 1 1 69 69 LEU CB C 13 46.460 0.05 . 1 . . . A 69 LEU CB . 18559 1 523 . 1 1 69 69 LEU CG C 13 27.365 0.05 . 1 . . . A 69 LEU CG . 18559 1 524 . 1 1 69 69 LEU CD1 C 13 25.785 0.05 . 2 . . . A 69 LEU CD1 . 18559 1 525 . 1 1 69 69 LEU CD2 C 13 25.867 0.05 . 2 . . . A 69 LEU CD2 . 18559 1 526 . 1 1 69 69 LEU N N 15 126.045 0.03 . 1 . . . A 69 LEU N . 18559 1 527 . 1 1 70 70 CYS H H 1 9.530 0.005 . 1 . . . A 70 CYS H . 18559 1 528 . 1 1 70 70 CYS HA H 1 4.542 0.005 . 1 . . . A 70 CYS HA . 18559 1 529 . 1 1 70 70 CYS HB2 H 1 2.513 0.005 . 2 . . . A 70 CYS HB2 . 18559 1 530 . 1 1 70 70 CYS HB3 H 1 3.326 0.005 . 2 . . . A 70 CYS HB3 . 18559 1 531 . 1 1 70 70 CYS C C 13 173.673 0.05 . 1 . . . A 70 CYS C . 18559 1 532 . 1 1 70 70 CYS CA C 13 58.406 0.05 . 1 . . . A 70 CYS CA . 18559 1 533 . 1 1 70 70 CYS CB C 13 30.403 0.05 . 1 . . . A 70 CYS CB . 18559 1 534 . 1 1 70 70 CYS N N 15 123.968 0.03 . 1 . . . A 70 CYS N . 18559 1 535 . 1 1 71 71 GLU H H 1 9.993 0.005 . 1 . . . A 71 GLU H . 18559 1 536 . 1 1 71 71 GLU HA H 1 4.256 0.005 . 1 . . . A 71 GLU HA . 18559 1 537 . 1 1 71 71 GLU HB2 H 1 2.148 0.005 . 2 . . . A 71 GLU HB2 . 18559 1 538 . 1 1 71 71 GLU HB3 H 1 1.668 0.005 . 2 . . . A 71 GLU HB3 . 18559 1 539 . 1 1 71 71 GLU HG2 H 1 2.383 0.005 . 2 . . . A 71 GLU HG2 . 18559 1 540 . 1 1 71 71 GLU HG3 H 1 2.107 0.005 . 2 . . . A 71 GLU HG3 . 18559 1 541 . 1 1 71 71 GLU C C 13 176.179 0.05 . 1 . . . A 71 GLU C . 18559 1 542 . 1 1 71 71 GLU CA C 13 56.826 0.05 . 1 . . . A 71 GLU CA . 18559 1 543 . 1 1 71 71 GLU CB C 13 28.210 0.05 . 1 . . . A 71 GLU CB . 18559 1 544 . 1 1 71 71 GLU CG C 13 35.496 0.05 . 1 . . . A 71 GLU CG . 18559 1 545 . 1 1 71 71 GLU N N 15 122.776 0.03 . 1 . . . A 71 GLU N . 18559 1 546 . 1 1 72 72 ARG H H 1 8.420 0.005 . 1 . . . A 72 ARG H . 18559 1 547 . 1 1 72 72 ARG HA H 1 4.239 0.005 . 1 . . . A 72 ARG HA . 18559 1 548 . 1 1 72 72 ARG HB2 H 1 1.805 0.005 . 2 . . . A 72 ARG HB2 . 18559 1 549 . 1 1 72 72 ARG HB3 H 1 1.732 0.005 . 2 . . . A 72 ARG HB3 . 18559 1 550 . 1 1 72 72 ARG HG2 H 1 1.578 0.005 . 2 . . . A 72 ARG HG2 . 18559 1 551 . 1 1 72 72 ARG HG3 H 1 1.482 0.005 . 2 . . . A 72 ARG HG3 . 18559 1 552 . 1 1 72 72 ARG HD2 H 1 2.970 0.005 . 2 . . . A 72 ARG HD2 . 18559 1 553 . 1 1 72 72 ARG HD3 H 1 2.970 0.005 . 2 . . . A 72 ARG HD3 . 18559 1 554 . 1 1 72 72 ARG C C 13 177.814 0.05 . 1 . . . A 72 ARG C . 18559 1 555 . 1 1 72 72 ARG CA C 13 58.297 0.05 . 1 . . . A 72 ARG CA . 18559 1 556 . 1 1 72 72 ARG CB C 13 30.424 0.05 . 1 . . . A 72 ARG CB . 18559 1 557 . 1 1 72 72 ARG CG C 13 27.896 0.05 . 1 . . . A 72 ARG CG . 18559 1 558 . 1 1 72 72 ARG CD C 13 43.314 0.05 . 1 . . . A 72 ARG CD . 18559 1 559 . 1 1 72 72 ARG N N 15 123.900 0.03 . 1 . . . A 72 ARG N . 18559 1 560 . 1 1 73 73 CYS H H 1 8.246 0.005 . 1 . . . A 73 CYS H . 18559 1 561 . 1 1 73 73 CYS HA H 1 3.820 0.005 . 1 . . . A 73 CYS HA . 18559 1 562 . 1 1 73 73 CYS HB2 H 1 2.635 0.005 . 2 . . . A 73 CYS HB2 . 18559 1 563 . 1 1 73 73 CYS HB3 H 1 2.734 0.005 . 2 . . . A 73 CYS HB3 . 18559 1 564 . 1 1 73 73 CYS C C 13 176.179 0.05 . 1 . . . A 73 CYS C . 18559 1 565 . 1 1 73 73 CYS CA C 13 63.582 0.05 . 1 . . . A 73 CYS CA . 18559 1 566 . 1 1 73 73 CYS CB C 13 30.240 0.05 . 1 . . . A 73 CYS CB . 18559 1 567 . 1 1 73 73 CYS N N 15 124.615 0.03 . 1 . . . A 73 CYS N . 18559 1 568 . 1 1 74 74 GLN H H 1 8.263 0.005 . 1 . . . A 74 GLN H . 18559 1 569 . 1 1 74 74 GLN HA H 1 4.395 0.005 . 1 . . . A 74 GLN HA . 18559 1 570 . 1 1 74 74 GLN HB2 H 1 1.531 0.005 . 2 . . . A 74 GLN HB2 . 18559 1 571 . 1 1 74 74 GLN HB3 H 1 1.639 0.005 . 2 . . . A 74 GLN HB3 . 18559 1 572 . 1 1 74 74 GLN HG2 H 1 2.084 0.005 . 2 . . . A 74 GLN HG2 . 18559 1 573 . 1 1 74 74 GLN HG3 H 1 1.976 0.005 . 2 . . . A 74 GLN HG3 . 18559 1 574 . 1 1 74 74 GLN HE21 H 1 7.367 0.005 . 2 . . . A 74 GLN HE21 . 18559 1 575 . 1 1 74 74 GLN HE22 H 1 6.681 0.005 . 2 . . . A 74 GLN HE22 . 18559 1 576 . 1 1 74 74 GLN CA C 13 53.257 0.05 . 1 . . . A 74 GLN CA . 18559 1 577 . 1 1 74 74 GLN CB C 13 30.525 0.05 . 1 . . . A 74 GLN CB . 18559 1 578 . 1 1 74 74 GLN CG C 13 34.080 0.05 . 1 . . . A 74 GLN CG . 18559 1 579 . 1 1 74 74 GLN N N 15 120.171 0.03 . 1 . . . A 74 GLN N . 18559 1 580 . 1 1 74 74 GLN NE2 N 15 112.127 0.03 . 1 . . . A 74 GLN NE2 . 18559 1 581 . 1 1 75 75 PRO HA H 1 4.620 0.005 . 1 . . . A 75 PRO HA . 18559 1 582 . 1 1 75 75 PRO HB2 H 1 2.199 0.005 . 2 . . . A 75 PRO HB2 . 18559 1 583 . 1 1 75 75 PRO HB3 H 1 1.716 0.005 . 2 . . . A 75 PRO HB3 . 18559 1 584 . 1 1 75 75 PRO HG2 H 1 1.791 0.005 . 2 . . . A 75 PRO HG2 . 18559 1 585 . 1 1 75 75 PRO HG3 H 1 1.948 0.005 . 2 . . . A 75 PRO HG3 . 18559 1 586 . 1 1 75 75 PRO HD2 H 1 3.389 0.005 . 2 . . . A 75 PRO HD2 . 18559 1 587 . 1 1 75 75 PRO HD3 H 1 3.150 0.005 . 2 . . . A 75 PRO HD3 . 18559 1 588 . 1 1 75 75 PRO C C 13 176.316 0.05 . 1 . . . A 75 PRO C . 18559 1 589 . 1 1 75 75 PRO CA C 13 64.126 0.05 . 1 . . . A 75 PRO CA . 18559 1 590 . 1 1 75 75 PRO CB C 13 31.928 0.05 . 1 . . . A 75 PRO CB . 18559 1 591 . 1 1 75 75 PRO CG C 13 27.311 0.05 . 1 . . . A 75 PRO CG . 18559 1 592 . 1 1 75 75 PRO CD C 13 49.988 0.05 . 1 . . . A 75 PRO CD . 18559 1 593 . 1 1 76 76 ARG H H 1 7.612 0.005 . 1 . . . A 76 ARG H . 18559 1 594 . 1 1 76 76 ARG HA H 1 4.494 0.005 . 1 . . . A 76 ARG HA . 18559 1 595 . 1 1 76 76 ARG HB2 H 1 1.948 0.005 . 2 . . . A 76 ARG HB2 . 18559 1 596 . 1 1 76 76 ARG HB3 H 1 1.732 0.005 . 2 . . . A 76 ARG HB3 . 18559 1 597 . 1 1 76 76 ARG HG2 H 1 1.642 0.005 . 2 . . . A 76 ARG HG2 . 18559 1 598 . 1 1 76 76 ARG HG3 H 1 1.192 0.005 . 2 . . . A 76 ARG HG3 . 18559 1 599 . 1 1 76 76 ARG HD2 H 1 3.113 0.005 . 2 . . . A 76 ARG HD2 . 18559 1 600 . 1 1 76 76 ARG HD3 H 1 2.964 0.005 . 2 . . . A 76 ARG HD3 . 18559 1 601 . 1 1 76 76 ARG CA C 13 54.524 0.05 . 1 . . . A 76 ARG CA . 18559 1 602 . 1 1 76 76 ARG CB C 13 30.389 0.05 . 1 . . . A 76 ARG CB . 18559 1 603 . 1 1 76 76 ARG CG C 13 25.322 0.05 . 1 . . . A 76 ARG CG . 18559 1 604 . 1 1 76 76 ARG CD C 13 44.200 0.05 . 1 . . . A 76 ARG CD . 18559 1 605 . 1 1 76 76 ARG N N 15 117.839 0.03 . 1 . . . A 76 ARG N . 18559 1 606 . 1 1 77 77 ASN HA H 1 4.691 0.005 . 1 . . . A 77 ASN HA . 18559 1 607 . 1 1 77 77 ASN HB2 H 1 2.730 0.005 . 2 . . . A 77 ASN HB2 . 18559 1 608 . 1 1 77 77 ASN HB3 H 1 2.678 0.005 . 2 . . . A 77 ASN HB3 . 18559 1 609 . 1 1 77 77 ASN HD21 H 1 6.900 0.005 . 2 . . . A 77 ASN HD21 . 18559 1 610 . 1 1 77 77 ASN HD22 H 1 6.900 0.005 . 2 . . . A 77 ASN HD22 . 18559 1 611 . 1 1 77 77 ASN C C 13 174.572 0.05 . 1 . . . A 77 ASN C . 18559 1 612 . 1 1 77 77 ASN CA C 13 54.021 0.05 . 1 . . . A 77 ASN CA . 18559 1 613 . 1 1 77 77 ASN CB C 13 38.779 0.05 . 1 . . . A 77 ASN CB . 18559 1 614 . 1 1 77 77 ASN ND2 N 15 113.285 0.03 . 1 . . . A 77 ASN ND2 . 18559 1 615 . 1 1 78 78 LEU H H 1 8.216 0.005 . 1 . . . A 78 LEU H . 18559 1 616 . 1 1 78 78 LEU HA H 1 4.608 0.005 . 1 . . . A 78 LEU HA . 18559 1 617 . 1 1 78 78 LEU HB2 H 1 1.559 0.005 . 2 . . . A 78 LEU HB2 . 18559 1 618 . 1 1 78 78 LEU HB3 H 1 1.388 0.005 . 2 . . . A 78 LEU HB3 . 18559 1 619 . 1 1 78 78 LEU HG H 1 1.584 0.005 . 1 . . . A 78 LEU HG . 18559 1 620 . 1 1 78 78 LEU HD11 H 1 0.932 0.005 . 2 . . . A 78 LEU HD11 . 18559 1 621 . 1 1 78 78 LEU HD12 H 1 0.932 0.005 . 2 . . . A 78 LEU HD12 . 18559 1 622 . 1 1 78 78 LEU HD13 H 1 0.932 0.005 . 2 . . . A 78 LEU HD13 . 18559 1 623 . 1 1 78 78 LEU HD21 H 1 0.936 0.005 . 2 . . . A 78 LEU HD21 . 18559 1 624 . 1 1 78 78 LEU HD22 H 1 0.936 0.005 . 2 . . . A 78 LEU HD22 . 18559 1 625 . 1 1 78 78 LEU HD23 H 1 0.936 0.005 . 2 . . . A 78 LEU HD23 . 18559 1 626 . 1 1 78 78 LEU CA C 13 53.706 0.05 . 1 . . . A 78 LEU CA . 18559 1 627 . 1 1 78 78 LEU CB C 13 46.365 0.05 . 1 . . . A 78 LEU CB . 18559 1 628 . 1 1 78 78 LEU CG C 13 27.283 0.05 . 1 . . . A 78 LEU CG . 18559 1 629 . 1 1 78 78 LEU CD1 C 13 27.229 0.05 . 2 . . . A 78 LEU CD1 . 18559 1 630 . 1 1 78 78 LEU CD2 C 13 24.096 0.05 . 2 . . . A 78 LEU CD2 . 18559 1 631 . 1 1 78 78 LEU N N 15 125.841 0.03 . 1 . . . A 78 LEU N . 18559 1 632 . 1 1 79 79 ASP HA H 1 4.739 0.005 . 1 . . . A 79 ASP HA . 18559 1 633 . 1 1 79 79 ASP HB2 H 1 2.500 0.005 . 2 . . . A 79 ASP HB2 . 18559 1 634 . 1 1 79 79 ASP HB3 H 1 2.870 0.005 . 2 . . . A 79 ASP HB3 . 18559 1 635 . 1 1 79 79 ASP C C 13 176.602 0.05 . 1 . . . A 79 ASP C . 18559 1 636 . 1 1 79 79 ASP CA C 13 52.903 0.05 . 1 . . . A 79 ASP CA . 18559 1 637 . 1 1 79 79 ASP CB C 13 40.605 0.05 . 1 . . . A 79 ASP CB . 18559 1 638 . 1 1 80 80 LYS H H 1 8.530 0.005 . 1 . . . A 80 LYS H . 18559 1 639 . 1 1 80 80 LYS HA H 1 3.888 0.005 . 1 . . . A 80 LYS HA . 18559 1 640 . 1 1 80 80 LYS HB2 H 1 1.839 0.005 . 2 . . . A 80 LYS HB2 . 18559 1 641 . 1 1 80 80 LYS HB3 H 1 1.839 0.005 . 2 . . . A 80 LYS HB3 . 18559 1 642 . 1 1 80 80 LYS HG2 H 1 1.529 0.005 . 2 . . . A 80 LYS HG2 . 18559 1 643 . 1 1 80 80 LYS HG3 H 1 1.314 0.005 . 2 . . . A 80 LYS HG3 . 18559 1 644 . 1 1 80 80 LYS HD2 H 1 1.691 0.005 . 2 . . . A 80 LYS HD2 . 18559 1 645 . 1 1 80 80 LYS HD3 H 1 1.691 0.005 . 2 . . . A 80 LYS HD3 . 18559 1 646 . 1 1 80 80 LYS HE2 H 1 2.959 0.005 . 2 . . . A 80 LYS HE2 . 18559 1 647 . 1 1 80 80 LYS HE3 H 1 2.959 0.005 . 2 . . . A 80 LYS HE3 . 18559 1 648 . 1 1 80 80 LYS C C 13 177.432 0.05 . 1 . . . A 80 LYS C . 18559 1 649 . 1 1 80 80 LYS CA C 13 59.822 0.05 . 1 . . . A 80 LYS CA . 18559 1 650 . 1 1 80 80 LYS CB C 13 32.473 0.05 . 1 . . . A 80 LYS CB . 18559 1 651 . 1 1 80 80 LYS CG C 13 25.418 0.05 . 1 . . . A 80 LYS CG . 18559 1 652 . 1 1 80 80 LYS CD C 13 29.640 0.05 . 1 . . . A 80 LYS CD . 18559 1 653 . 1 1 80 80 LYS CE C 13 42.088 0.05 . 1 . . . A 80 LYS CE . 18559 1 654 . 1 1 80 80 LYS N N 15 127.654 0.03 . 1 . . . A 80 LYS N . 18559 1 655 . 1 1 81 81 GLU H H 1 8.239 0.005 . 1 . . . A 81 GLU H . 18559 1 656 . 1 1 81 81 GLU HA H 1 3.963 0.005 . 1 . . . A 81 GLU HA . 18559 1 657 . 1 1 81 81 GLU HB2 H 1 2.114 0.005 . 2 . . . A 81 GLU HB2 . 18559 1 658 . 1 1 81 81 GLU HB3 H 1 2.032 0.005 . 2 . . . A 81 GLU HB3 . 18559 1 659 . 1 1 81 81 GLU HG2 H 1 2.298 0.005 . 2 . . . A 81 GLU HG2 . 18559 1 660 . 1 1 81 81 GLU HG3 H 1 2.298 0.005 . 2 . . . A 81 GLU HG3 . 18559 1 661 . 1 1 81 81 GLU C C 13 179.040 0.05 . 1 . . . A 81 GLU C . 18559 1 662 . 1 1 81 81 GLU CA C 13 59.877 0.05 . 1 . . . A 81 GLU CA . 18559 1 663 . 1 1 81 81 GLU CB C 13 28.892 0.05 . 1 . . . A 81 GLU CB . 18559 1 664 . 1 1 81 81 GLU CG C 13 36.709 0.05 . 1 . . . A 81 GLU CG . 18559 1 665 . 1 1 81 81 GLU N N 15 119.456 0.03 . 1 . . . A 81 GLU N . 18559 1 666 . 1 1 82 82 ARG H H 1 7.811 0.005 . 1 . . . A 82 ARG H . 18559 1 667 . 1 1 82 82 ARG HA H 1 3.911 0.005 . 1 . . . A 82 ARG HA . 18559 1 668 . 1 1 82 82 ARG HB2 H 1 1.819 0.005 . 2 . . . A 82 ARG HB2 . 18559 1 669 . 1 1 82 82 ARG HB3 H 1 1.604 0.005 . 2 . . . A 82 ARG HB3 . 18559 1 670 . 1 1 82 82 ARG HG2 H 1 1.655 0.005 . 2 . . . A 82 ARG HG2 . 18559 1 671 . 1 1 82 82 ARG HG3 H 1 1.439 0.005 . 2 . . . A 82 ARG HG3 . 18559 1 672 . 1 1 82 82 ARG HD2 H 1 3.224 0.005 . 2 . . . A 82 ARG HD2 . 18559 1 673 . 1 1 82 82 ARG HD3 H 1 3.143 0.005 . 2 . . . A 82 ARG HD3 . 18559 1 674 . 1 1 82 82 ARG C C 13 178.086 0.05 . 1 . . . A 82 ARG C . 18559 1 675 . 1 1 82 82 ARG CA C 13 58.760 0.05 . 1 . . . A 82 ARG CA . 18559 1 676 . 1 1 82 82 ARG CB C 13 29.980 0.05 . 1 . . . A 82 ARG CB . 18559 1 677 . 1 1 82 82 ARG CG C 13 27.284 0.05 . 1 . . . A 82 ARG CG . 18559 1 678 . 1 1 82 82 ARG CD C 13 43.314 0.05 . 1 . . . A 82 ARG CD . 18559 1 679 . 1 1 82 82 ARG N N 15 118.929 0.03 . 1 . . . A 82 ARG N . 18559 1 680 . 1 1 83 83 ALA H H 1 7.099 0.005 . 1 . . . A 83 ALA H . 18559 1 681 . 1 1 83 83 ALA HA H 1 4.141 0.005 . 1 . . . A 83 ALA HA . 18559 1 682 . 1 1 83 83 ALA HB1 H 1 1.937 0.005 . 1 . . . A 83 ALA HB1 . 18559 1 683 . 1 1 83 83 ALA HB2 H 1 1.937 0.005 . 1 . . . A 83 ALA HB2 . 18559 1 684 . 1 1 83 83 ALA HB3 H 1 1.937 0.005 . 1 . . . A 83 ALA HB3 . 18559 1 685 . 1 1 83 83 ALA C C 13 178.086 0.05 . 1 . . . A 83 ALA C . 18559 1 686 . 1 1 83 83 ALA CA C 13 55.818 0.05 . 1 . . . A 83 ALA CA . 18559 1 687 . 1 1 83 83 ALA CB C 13 18.308 0.05 . 1 . . . A 83 ALA CB . 18559 1 688 . 1 1 83 83 ALA N N 15 122.283 0.03 . 1 . . . A 83 ALA N . 18559 1 689 . 1 1 84 84 VAL H H 1 8.217 0.005 . 1 . . . A 84 VAL H . 18559 1 690 . 1 1 84 84 VAL HA H 1 3.713 0.005 . 1 . . . A 84 VAL HA . 18559 1 691 . 1 1 84 84 VAL HB H 1 2.148 0.005 . 1 . . . A 84 VAL HB . 18559 1 692 . 1 1 84 84 VAL HG11 H 1 1.021 0.005 . 2 . . . A 84 VAL HG11 . 18559 1 693 . 1 1 84 84 VAL HG12 H 1 1.021 0.005 . 2 . . . A 84 VAL HG12 . 18559 1 694 . 1 1 84 84 VAL HG13 H 1 1.021 0.005 . 2 . . . A 84 VAL HG13 . 18559 1 695 . 1 1 84 84 VAL HG21 H 1 1.196 0.005 . 2 . . . A 84 VAL HG21 . 18559 1 696 . 1 1 84 84 VAL HG22 H 1 1.196 0.005 . 2 . . . A 84 VAL HG22 . 18559 1 697 . 1 1 84 84 VAL HG23 H 1 1.196 0.005 . 2 . . . A 84 VAL HG23 . 18559 1 698 . 1 1 84 84 VAL C C 13 178.359 0.05 . 1 . . . A 84 VAL C . 18559 1 699 . 1 1 84 84 VAL CA C 13 67.272 0.05 . 1 . . . A 84 VAL CA . 18559 1 700 . 1 1 84 84 VAL CB C 13 32.283 0.05 . 1 . . . A 84 VAL CB . 18559 1 701 . 1 1 84 84 VAL CG1 C 13 21.345 0.05 . 2 . . . A 84 VAL CG1 . 18559 1 702 . 1 1 84 84 VAL CG2 C 13 22.516 0.05 . 2 . . . A 84 VAL CG2 . 18559 1 703 . 1 1 84 84 VAL N N 15 116.971 0.03 . 1 . . . A 84 VAL N . 18559 1 704 . 1 1 85 85 LEU H H 1 7.848 0.005 . 1 . . . A 85 LEU H . 18559 1 705 . 1 1 85 85 LEU HA H 1 3.973 0.005 . 1 . . . A 85 LEU HA . 18559 1 706 . 1 1 85 85 LEU HB2 H 1 1.757 0.005 . 2 . . . A 85 LEU HB2 . 18559 1 707 . 1 1 85 85 LEU HB3 H 1 1.573 0.005 . 2 . . . A 85 LEU HB3 . 18559 1 708 . 1 1 85 85 LEU HG H 1 1.745 0.005 . 1 . . . A 85 LEU HG . 18559 1 709 . 1 1 85 85 LEU HD11 H 1 0.872 0.005 . 2 . . . A 85 LEU HD11 . 18559 1 710 . 1 1 85 85 LEU HD12 H 1 0.872 0.005 . 2 . . . A 85 LEU HD12 . 18559 1 711 . 1 1 85 85 LEU HD13 H 1 0.872 0.005 . 2 . . . A 85 LEU HD13 . 18559 1 712 . 1 1 85 85 LEU HD21 H 1 0.857 0.005 . 2 . . . A 85 LEU HD21 . 18559 1 713 . 1 1 85 85 LEU HD22 H 1 0.857 0.005 . 2 . . . A 85 LEU HD22 . 18559 1 714 . 1 1 85 85 LEU HD23 H 1 0.857 0.005 . 2 . . . A 85 LEU HD23 . 18559 1 715 . 1 1 85 85 LEU C C 13 179.775 0.05 . 1 . . . A 85 LEU C . 18559 1 716 . 1 1 85 85 LEU CA C 13 58.351 0.05 . 1 . . . A 85 LEU CA . 18559 1 717 . 1 1 85 85 LEU CB C 13 41.789 0.05 . 1 . . . A 85 LEU CB . 18559 1 718 . 1 1 85 85 LEU CG C 13 27.093 0.05 . 1 . . . A 85 LEU CG . 18559 1 719 . 1 1 85 85 LEU CD1 C 13 24.750 0.05 . 2 . . . A 85 LEU CD1 . 18559 1 720 . 1 1 85 85 LEU CD2 C 13 23.742 0.05 . 2 . . . A 85 LEU CD2 . 18559 1 721 . 1 1 85 85 LEU N N 15 117.703 0.03 . 1 . . . A 85 LEU N . 18559 1 722 . 1 1 86 86 LEU H H 1 8.262 0.005 . 1 . . . A 86 LEU H . 18559 1 723 . 1 1 86 86 LEU HA H 1 4.052 0.005 . 1 . . . A 86 LEU HA . 18559 1 724 . 1 1 86 86 LEU HB2 H 1 1.783 0.005 . 2 . . . A 86 LEU HB2 . 18559 1 725 . 1 1 86 86 LEU HB3 H 1 1.783 0.005 . 2 . . . A 86 LEU HB3 . 18559 1 726 . 1 1 86 86 LEU HD11 H 1 0.813 0.005 . 2 . . . A 86 LEU HD11 . 18559 1 727 . 1 1 86 86 LEU HD12 H 1 0.813 0.005 . 2 . . . A 86 LEU HD12 . 18559 1 728 . 1 1 86 86 LEU HD13 H 1 0.813 0.005 . 2 . . . A 86 LEU HD13 . 18559 1 729 . 1 1 86 86 LEU HD21 H 1 0.806 0.005 . 2 . . . A 86 LEU HD21 . 18559 1 730 . 1 1 86 86 LEU HD22 H 1 0.806 0.005 . 2 . . . A 86 LEU HD22 . 18559 1 731 . 1 1 86 86 LEU HD23 H 1 0.806 0.005 . 2 . . . A 86 LEU HD23 . 18559 1 732 . 1 1 86 86 LEU C C 13 180.320 0.05 . 1 . . . A 86 LEU C . 18559 1 733 . 1 1 86 86 LEU CA C 13 58.297 0.05 . 1 . . . A 86 LEU CA . 18559 1 734 . 1 1 86 86 LEU CB C 13 41.326 0.05 . 1 . . . A 86 LEU CB . 18559 1 735 . 1 1 86 86 LEU CD1 C 13 26.330 0.05 . 2 . . . A 86 LEU CD1 . 18559 1 736 . 1 1 86 86 LEU CD2 C 13 25.867 0.05 . 2 . . . A 86 LEU CD2 . 18559 1 737 . 1 1 86 86 LEU N N 15 120.001 0.03 . 1 . . . A 86 LEU N . 18559 1 738 . 1 1 87 87 GLN H H 1 8.266 0.005 . 1 . . . A 87 GLN H . 18559 1 739 . 1 1 87 87 GLN HA H 1 4.174 0.005 . 1 . . . A 87 GLN HA . 18559 1 740 . 1 1 87 87 GLN HB2 H 1 1.960 0.005 . 2 . . . A 87 GLN HB2 . 18559 1 741 . 1 1 87 87 GLN HB3 H 1 1.750 0.005 . 2 . . . A 87 GLN HB3 . 18559 1 742 . 1 1 87 87 GLN HG2 H 1 2.626 0.005 . 2 . . . A 87 GLN HG2 . 18559 1 743 . 1 1 87 87 GLN HG3 H 1 3.141 0.005 . 2 . . . A 87 GLN HG3 . 18559 1 744 . 1 1 87 87 GLN HE21 H 1 6.937 0.005 . 2 . . . A 87 GLN HE21 . 18559 1 745 . 1 1 87 87 GLN HE22 H 1 6.937 0.005 . 2 . . . A 87 GLN HE22 . 18559 1 746 . 1 1 87 87 GLN C C 13 178.822 0.05 . 1 . . . A 87 GLN C . 18559 1 747 . 1 1 87 87 GLN CA C 13 57.425 0.05 . 1 . . . A 87 GLN CA . 18559 1 748 . 1 1 87 87 GLN CB C 13 28.502 0.05 . 1 . . . A 87 GLN CB . 18559 1 749 . 1 1 87 87 GLN CG C 13 32.663 0.05 . 1 . . . A 87 GLN CG . 18559 1 750 . 1 1 87 87 GLN N N 15 118.980 0.03 . 1 . . . A 87 GLN N . 18559 1 751 . 1 1 87 87 GLN NE2 N 15 110.595 0.03 . 1 . . . A 87 GLN NE2 . 18559 1 752 . 1 1 88 88 ARG H H 1 8.794 0.005 . 1 . . . A 88 ARG H . 18559 1 753 . 1 1 88 88 ARG HA H 1 3.602 0.005 . 1 . . . A 88 ARG HA . 18559 1 754 . 1 1 88 88 ARG HB2 H 1 2.028 0.005 . 2 . . . A 88 ARG HB2 . 18559 1 755 . 1 1 88 88 ARG HB3 H 1 1.883 0.005 . 2 . . . A 88 ARG HB3 . 18559 1 756 . 1 1 88 88 ARG HG2 H 1 1.676 0.005 . 2 . . . A 88 ARG HG2 . 18559 1 757 . 1 1 88 88 ARG HG3 H 1 2.022 0.005 . 2 . . . A 88 ARG HG3 . 18559 1 758 . 1 1 88 88 ARG HD2 H 1 3.185 0.005 . 2 . . . A 88 ARG HD2 . 18559 1 759 . 1 1 88 88 ARG HD3 H 1 3.185 0.005 . 2 . . . A 88 ARG HD3 . 18559 1 760 . 1 1 88 88 ARG C C 13 179.312 0.05 . 1 . . . A 88 ARG C . 18559 1 761 . 1 1 88 88 ARG CA C 13 60.204 0.05 . 1 . . . A 88 ARG CA . 18559 1 762 . 1 1 88 88 ARG CB C 13 30.008 0.05 . 1 . . . A 88 ARG CB . 18559 1 763 . 1 1 88 88 ARG CG C 13 28.019 0.05 . 1 . . . A 88 ARG CG . 18559 1 764 . 1 1 88 88 ARG CD C 13 44.023 0.05 . 1 . . . A 88 ARG CD . 18559 1 765 . 1 1 88 88 ARG N N 15 121.636 0.03 . 1 . . . A 88 ARG N . 18559 1 766 . 1 1 89 89 ARG H H 1 7.542 0.005 . 1 . . . A 89 ARG H . 18559 1 767 . 1 1 89 89 ARG HA H 1 4.017 0.005 . 1 . . . A 89 ARG HA . 18559 1 768 . 1 1 89 89 ARG HB2 H 1 1.846 0.005 . 2 . . . A 89 ARG HB2 . 18559 1 769 . 1 1 89 89 ARG HB3 H 1 1.846 0.005 . 2 . . . A 89 ARG HB3 . 18559 1 770 . 1 1 89 89 ARG HG2 H 1 1.711 0.005 . 2 . . . A 89 ARG HG2 . 18559 1 771 . 1 1 89 89 ARG HG3 H 1 1.601 0.005 . 2 . . . A 89 ARG HG3 . 18559 1 772 . 1 1 89 89 ARG HD2 H 1 3.124 0.005 . 2 . . . A 89 ARG HD2 . 18559 1 773 . 1 1 89 89 ARG HD3 H 1 3.124 0.005 . 2 . . . A 89 ARG HD3 . 18559 1 774 . 1 1 89 89 ARG C C 13 179.067 0.05 . 1 . . . A 89 ARG C . 18559 1 775 . 1 1 89 89 ARG CA C 13 58.787 0.05 . 1 . . . A 89 ARG CA . 18559 1 776 . 1 1 89 89 ARG CB C 13 29.559 0.05 . 1 . . . A 89 ARG CB . 18559 1 777 . 1 1 89 89 ARG CG C 13 27.270 0.05 . 1 . . . A 89 ARG CG . 18559 1 778 . 1 1 89 89 ARG CD C 13 43.423 0.05 . 1 . . . A 89 ARG CD . 18559 1 779 . 1 1 89 89 ARG N N 15 117.550 0.03 . 1 . . . A 89 ARG N . 18559 1 780 . 1 1 90 90 LYS H H 1 7.616 0.005 . 1 . . . A 90 LYS H . 18559 1 781 . 1 1 90 90 LYS HA H 1 3.970 0.005 . 1 . . . A 90 LYS HA . 18559 1 782 . 1 1 90 90 LYS HB2 H 1 1.886 0.005 . 2 . . . A 90 LYS HB2 . 18559 1 783 . 1 1 90 90 LYS HB3 H 1 1.620 0.005 . 2 . . . A 90 LYS HB3 . 18559 1 784 . 1 1 90 90 LYS C C 13 179.258 0.05 . 1 . . . A 90 LYS C . 18559 1 785 . 1 1 90 90 LYS CA C 13 60.204 0.05 . 1 . . . A 90 LYS CA . 18559 1 786 . 1 1 90 90 LYS CB C 13 32.092 0.05 . 1 . . . A 90 LYS CB . 18559 1 787 . 1 1 90 90 LYS N N 15 118.435 0.03 . 1 . . . A 90 LYS N . 18559 1 788 . 1 1 91 91 ARG H H 1 7.892 0.005 . 1 . . . A 91 ARG H . 18559 1 789 . 1 1 91 91 ARG HA H 1 3.725 0.005 . 1 . . . A 91 ARG HA . 18559 1 790 . 1 1 91 91 ARG HB2 H 1 1.695 0.005 . 2 . . . A 91 ARG HB2 . 18559 1 791 . 1 1 91 91 ARG HB3 H 1 1.413 0.005 . 2 . . . A 91 ARG HB3 . 18559 1 792 . 1 1 91 91 ARG HG2 H 1 1.149 0.005 . 2 . . . A 91 ARG HG2 . 18559 1 793 . 1 1 91 91 ARG HG3 H 1 0.990 0.005 . 2 . . . A 91 ARG HG3 . 18559 1 794 . 1 1 91 91 ARG HD2 H 1 2.409 0.005 . 2 . . . A 91 ARG HD2 . 18559 1 795 . 1 1 91 91 ARG HD3 H 1 2.119 0.005 . 2 . . . A 91 ARG HD3 . 18559 1 796 . 1 1 91 91 ARG C C 13 178.113 0.05 . 1 . . . A 91 ARG C . 18559 1 797 . 1 1 91 91 ARG CA C 13 57.752 0.05 . 1 . . . A 91 ARG CA . 18559 1 798 . 1 1 91 91 ARG CB C 13 30.117 0.05 . 1 . . . A 91 ARG CB . 18559 1 799 . 1 1 91 91 ARG CG C 13 26.711 0.05 . 1 . . . A 91 ARG CG . 18559 1 800 . 1 1 91 91 ARG CD C 13 42.810 0.05 . 1 . . . A 91 ARG CD . 18559 1 801 . 1 1 91 91 ARG N N 15 117.754 0.03 . 1 . . . A 91 ARG N . 18559 1 802 . 1 1 92 92 GLU H H 1 7.655 0.005 . 1 . . . A 92 GLU H . 18559 1 803 . 1 1 92 92 GLU HA H 1 4.011 0.005 . 1 . . . A 92 GLU HA . 18559 1 804 . 1 1 92 92 GLU HB2 H 1 1.988 0.005 . 2 . . . A 92 GLU HB2 . 18559 1 805 . 1 1 92 92 GLU HB3 H 1 1.988 0.005 . 2 . . . A 92 GLU HB3 . 18559 1 806 . 1 1 92 92 GLU HG2 H 1 2.359 0.005 . 2 . . . A 92 GLU HG2 . 18559 1 807 . 1 1 92 92 GLU HG3 H 1 2.213 0.005 . 2 . . . A 92 GLU HG3 . 18559 1 808 . 1 1 92 92 GLU C C 13 177.187 0.05 . 1 . . . A 92 GLU C . 18559 1 809 . 1 1 92 92 GLU CA C 13 58.079 0.05 . 1 . . . A 92 GLU CA . 18559 1 810 . 1 1 92 92 GLU CB C 13 29.558 0.05 . 1 . . . A 92 GLU CB . 18559 1 811 . 1 1 92 92 GLU CG C 13 36.205 0.05 . 1 . . . A 92 GLU CG . 18559 1 812 . 1 1 92 92 GLU N N 15 119.082 0.03 . 1 . . . A 92 GLU N . 18559 1 813 . 1 1 93 93 ASN H H 1 7.736 0.005 . 1 . . . A 93 ASN H . 18559 1 814 . 1 1 93 93 ASN HA H 1 4.651 0.005 . 1 . . . A 93 ASN HA . 18559 1 815 . 1 1 93 93 ASN HB2 H 1 2.853 0.005 . 2 . . . A 93 ASN HB2 . 18559 1 816 . 1 1 93 93 ASN HB3 H 1 2.662 0.005 . 2 . . . A 93 ASN HB3 . 18559 1 817 . 1 1 93 93 ASN HD21 H 1 7.508 0.005 . 2 . . . A 93 ASN HD21 . 18559 1 818 . 1 1 93 93 ASN HD22 H 1 6.815 0.005 . 2 . . . A 93 ASN HD22 . 18559 1 819 . 1 1 93 93 ASN C C 13 175.417 0.05 . 1 . . . A 93 ASN C . 18559 1 820 . 1 1 93 93 ASN CA C 13 53.612 0.05 . 1 . . . A 93 ASN CA . 18559 1 821 . 1 1 93 93 ASN CB C 13 38.956 0.05 . 1 . . . A 93 ASN CB . 18559 1 822 . 1 1 93 93 ASN N N 15 116.426 0.03 . 1 . . . A 93 ASN N . 18559 1 823 . 1 1 93 93 ASN ND2 N 15 112.623 0.03 . 1 . . . A 93 ASN ND2 . 18559 1 824 . 1 1 94 94 MET H H 1 7.750 0.005 . 1 . . . A 94 MET H . 18559 1 825 . 1 1 94 94 MET HA H 1 4.349 0.005 . 1 . . . A 94 MET HA . 18559 1 826 . 1 1 94 94 MET HB2 H 1 2.040 0.005 . 2 . . . A 94 MET HB2 . 18559 1 827 . 1 1 94 94 MET HB3 H 1 1.891 0.005 . 2 . . . A 94 MET HB3 . 18559 1 828 . 1 1 94 94 MET HG2 H 1 2.535 0.005 . 2 . . . A 94 MET HG2 . 18559 1 829 . 1 1 94 94 MET HG3 H 1 2.440 0.005 . 2 . . . A 94 MET HG3 . 18559 1 830 . 1 1 94 94 MET CA C 13 56.240 0.05 . 1 . . . A 94 MET CA . 18559 1 831 . 1 1 94 94 MET CB C 13 33.318 0.05 . 1 . . . A 94 MET CB . 18559 1 832 . 1 1 94 94 MET CG C 13 32.091 0.05 . 1 . . . A 94 MET CG . 18559 1 833 . 1 1 94 94 MET N N 15 119.507 0.03 . 1 . . . A 94 MET N . 18559 1 834 . 1 1 97 97 GLY HA2 H 1 3.888 0.005 . 2 . . . A 97 GLY HA2 . 18559 1 835 . 1 1 97 97 GLY HA3 H 1 3.888 0.005 . 2 . . . A 97 GLY HA3 . 18559 1 836 . 1 1 97 97 GLY C C 13 173.946 0.05 . 1 . . . A 97 GLY C . 18559 1 837 . 1 1 97 97 GLY CA C 13 45.494 0.05 . 1 . . . A 97 GLY CA . 18559 1 838 . 1 1 98 98 ASP H H 1 8.191 0.005 . 1 . . . A 98 ASP H . 18559 1 839 . 1 1 98 98 ASP HA H 1 4.642 0.005 . 1 . . . A 98 ASP HA . 18559 1 840 . 1 1 98 98 ASP HB2 H 1 2.706 0.005 . 2 . . . A 98 ASP HB2 . 18559 1 841 . 1 1 98 98 ASP HB3 H 1 2.619 0.005 . 2 . . . A 98 ASP HB3 . 18559 1 842 . 1 1 98 98 ASP CA C 13 54.387 0.05 . 1 . . . A 98 ASP CA . 18559 1 843 . 1 1 98 98 ASP CB C 13 41.312 0.05 . 1 . . . A 98 ASP CB . 18559 1 844 . 1 1 98 98 ASP N N 15 120.563 0.03 . 1 . . . A 98 ASP N . 18559 1 stop_ save_