################################### # 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_ _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_ _Assigned_chem_shift_list.Entry_ID 11496 _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 '2D 1H-15N HSQC' . . . 11496 1 2 '2D 1H-13C HSQC aliphatic' . . . 11496 1 3 '2D 1H-13C HSQC aromatic' . . . 11496 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 MET HA H 1 4.447 0.040 . 1 . . . A 1 MET HA . 11496 1 2 . 1 1 1 1 MET HB2 H 1 1.996 0.040 . 2 . . . A 1 MET HB2 . 11496 1 3 . 1 1 1 1 MET HB3 H 1 1.942 0.040 . 2 . . . A 1 MET HB3 . 11496 1 4 . 1 1 1 1 MET HG2 H 1 2.462 0.040 . 2 . . . A 1 MET HG2 . 11496 1 5 . 1 1 1 1 MET HG3 H 1 2.462 0.040 . 2 . . . A 1 MET HG3 . 11496 1 6 . 1 1 1 1 MET HE1 H 1 2.042 0.040 . 1 . . . A 1 MET HE1 . 11496 1 7 . 1 1 1 1 MET HE2 H 1 2.042 0.040 . 1 . . . A 1 MET HE2 . 11496 1 8 . 1 1 1 1 MET HE3 H 1 2.042 0.040 . 1 . . . A 1 MET HE3 . 11496 1 9 . 1 1 1 1 MET C C 13 175.646 0.450 . 1 . . . A 1 MET C . 11496 1 10 . 1 1 1 1 MET CA C 13 55.410 0.450 . 1 . . . A 1 MET CA . 11496 1 11 . 1 1 1 1 MET CB C 13 32.995 0.450 . 1 . . . A 1 MET CB . 11496 1 12 . 1 1 1 1 MET CG C 13 31.703 0.450 . 1 . . . A 1 MET CG . 11496 1 13 . 1 1 1 1 MET CE C 13 16.810 0.450 . 1 . . . A 1 MET CE . 11496 1 14 . 1 1 2 2 VAL H H 1 8.347 0.040 . 1 . . . A 2 VAL H . 11496 1 15 . 1 1 2 2 VAL HA H 1 4.102 0.040 . 1 . . . A 2 VAL HA . 11496 1 16 . 1 1 2 2 VAL HB H 1 2.017 0.040 . 1 . . . A 2 VAL HB . 11496 1 17 . 1 1 2 2 VAL HG11 H 1 0.878 0.040 . 2 . . . A 2 VAL HG11 . 11496 1 18 . 1 1 2 2 VAL HG12 H 1 0.878 0.040 . 2 . . . A 2 VAL HG12 . 11496 1 19 . 1 1 2 2 VAL HG13 H 1 0.878 0.040 . 2 . . . A 2 VAL HG13 . 11496 1 20 . 1 1 2 2 VAL HG21 H 1 0.889 0.040 . 2 . . . A 2 VAL HG21 . 11496 1 21 . 1 1 2 2 VAL HG22 H 1 0.889 0.040 . 2 . . . A 2 VAL HG22 . 11496 1 22 . 1 1 2 2 VAL HG23 H 1 0.889 0.040 . 2 . . . A 2 VAL HG23 . 11496 1 23 . 1 1 2 2 VAL C C 13 175.865 0.450 . 1 . . . A 2 VAL C . 11496 1 24 . 1 1 2 2 VAL CA C 13 62.265 0.450 . 1 . . . A 2 VAL CA . 11496 1 25 . 1 1 2 2 VAL CB C 13 32.762 0.450 . 1 . . . A 2 VAL CB . 11496 1 26 . 1 1 2 2 VAL CG1 C 13 21.019 0.450 . 1 . . . A 2 VAL CG1 . 11496 1 27 . 1 1 2 2 VAL CG2 C 13 20.416 0.450 . 1 . . . A 2 VAL CG2 . 11496 1 28 . 1 1 2 2 VAL N N 15 122.762 0.450 . 1 . . . A 2 VAL N . 11496 1 29 . 1 1 3 3 SER H H 1 8.401 0.040 . 1 . . . A 3 SER H . 11496 1 30 . 1 1 3 3 SER HA H 1 4.442 0.040 . 1 . . . A 3 SER HA . 11496 1 31 . 1 1 3 3 SER HB2 H 1 3.780 0.040 . 2 . . . A 3 SER HB2 . 11496 1 32 . 1 1 3 3 SER HB3 H 1 3.780 0.040 . 2 . . . A 3 SER HB3 . 11496 1 33 . 1 1 3 3 SER C C 13 174.220 0.450 . 1 . . . A 3 SER C . 11496 1 34 . 1 1 3 3 SER CA C 13 58.024 0.450 . 1 . . . A 3 SER CA . 11496 1 35 . 1 1 3 3 SER CB C 13 63.837 0.450 . 1 . . . A 3 SER CB . 11496 1 36 . 1 1 3 3 SER N N 15 120.011 0.450 . 1 . . . A 3 SER N . 11496 1 37 . 1 1 4 4 VAL H H 1 8.170 0.040 . 1 . . . A 4 VAL H . 11496 1 38 . 1 1 4 4 VAL HA H 1 4.100 0.040 . 1 . . . A 4 VAL HA . 11496 1 39 . 1 1 4 4 VAL HB H 1 2.015 0.040 . 1 . . . A 4 VAL HB . 11496 1 40 . 1 1 4 4 VAL HG11 H 1 0.876 0.040 . 2 . . . A 4 VAL HG11 . 11496 1 41 . 1 1 4 4 VAL HG12 H 1 0.876 0.040 . 2 . . . A 4 VAL HG12 . 11496 1 42 . 1 1 4 4 VAL HG13 H 1 0.876 0.040 . 2 . . . A 4 VAL HG13 . 11496 1 43 . 1 1 4 4 VAL HG21 H 1 0.876 0.040 . 2 . . . A 4 VAL HG21 . 11496 1 44 . 1 1 4 4 VAL HG22 H 1 0.876 0.040 . 2 . . . A 4 VAL HG22 . 11496 1 45 . 1 1 4 4 VAL HG23 H 1 0.876 0.040 . 2 . . . A 4 VAL HG23 . 11496 1 46 . 1 1 4 4 VAL C C 13 175.756 0.450 . 1 . . . A 4 VAL C . 11496 1 47 . 1 1 4 4 VAL CA C 13 62.069 0.450 . 1 . . . A 4 VAL CA . 11496 1 48 . 1 1 4 4 VAL CB C 13 32.647 0.450 . 1 . . . A 4 VAL CB . 11496 1 49 . 1 1 4 4 VAL CG1 C 13 20.265 0.450 . 1 . . . A 4 VAL CG1 . 11496 1 50 . 1 1 4 4 VAL CG2 C 13 20.265 0.450 . 1 . . . A 4 VAL CG2 . 11496 1 51 . 1 1 4 4 VAL N N 15 122.419 0.450 . 1 . . . A 4 VAL N . 11496 1 52 . 1 1 5 5 LYS H H 1 8.288 0.040 . 1 . . . A 5 LYS H . 11496 1 53 . 1 1 5 5 LYS HA H 1 4.554 0.040 . 1 . . . A 5 LYS HA . 11496 1 54 . 1 1 5 5 LYS HB2 H 1 1.771 0.040 . 2 . . . A 5 LYS HB2 . 11496 1 55 . 1 1 5 5 LYS HB3 H 1 1.661 0.040 . 2 . . . A 5 LYS HB3 . 11496 1 56 . 1 1 5 5 LYS HG2 H 1 1.415 0.040 . 2 . . . A 5 LYS HG2 . 11496 1 57 . 1 1 5 5 LYS HG3 H 1 1.415 0.040 . 2 . . . A 5 LYS HG3 . 11496 1 58 . 1 1 5 5 LYS HD2 H 1 1.638 0.040 . 2 . . . A 5 LYS HD2 . 11496 1 59 . 1 1 5 5 LYS HD3 H 1 1.638 0.040 . 2 . . . A 5 LYS HD3 . 11496 1 60 . 1 1 5 5 LYS HE2 H 1 2.907 0.040 . 2 . . . A 5 LYS HE2 . 11496 1 61 . 1 1 5 5 LYS HE3 H 1 2.907 0.040 . 2 . . . A 5 LYS HE3 . 11496 1 62 . 1 1 5 5 LYS CA C 13 54.110 0.450 . 1 . . . A 5 LYS CA . 11496 1 63 . 1 1 5 5 LYS CB C 13 32.626 0.450 . 1 . . . A 5 LYS CB . 11496 1 64 . 1 1 5 5 LYS CG C 13 24.546 0.450 . 1 . . . A 5 LYS CG . 11496 1 65 . 1 1 5 5 LYS CD C 13 29.064 0.450 . 1 . . . A 5 LYS CD . 11496 1 66 . 1 1 5 5 LYS CE C 13 41.489 0.450 . 1 . . . A 5 LYS CE . 11496 1 67 . 1 1 5 5 LYS N N 15 126.526 0.450 . 1 . . . A 5 LYS N . 11496 1 68 . 1 1 6 6 PRO HA H 1 4.343 0.040 . 1 . . . A 6 PRO HA . 11496 1 69 . 1 1 6 6 PRO HB2 H 1 2.218 0.040 . 2 . . . A 6 PRO HB2 . 11496 1 70 . 1 1 6 6 PRO HB3 H 1 1.823 0.040 . 2 . . . A 6 PRO HB3 . 11496 1 71 . 1 1 6 6 PRO HG2 H 1 1.960 0.040 . 2 . . . A 6 PRO HG2 . 11496 1 72 . 1 1 6 6 PRO HG3 H 1 1.960 0.040 . 2 . . . A 6 PRO HG3 . 11496 1 73 . 1 1 6 6 PRO HD2 H 1 3.783 0.040 . 2 . . . A 6 PRO HD2 . 11496 1 74 . 1 1 6 6 PRO HD3 H 1 3.606 0.040 . 2 . . . A 6 PRO HD3 . 11496 1 75 . 1 1 6 6 PRO C C 13 176.523 0.450 . 1 . . . A 6 PRO C . 11496 1 76 . 1 1 6 6 PRO CA C 13 62.883 0.450 . 1 . . . A 6 PRO CA . 11496 1 77 . 1 1 6 6 PRO CB C 13 32.102 0.450 . 1 . . . A 6 PRO CB . 11496 1 78 . 1 1 6 6 PRO CG C 13 27.261 0.450 . 1 . . . A 6 PRO CG . 11496 1 79 . 1 1 6 6 PRO CD C 13 50.577 0.450 . 1 . . . A 6 PRO CD . 11496 1 80 . 1 1 7 7 LEU H H 1 8.219 0.040 . 1 . . . A 7 LEU H . 11496 1 81 . 1 1 7 7 LEU HA H 1 4.529 0.040 . 1 . . . A 7 LEU HA . 11496 1 82 . 1 1 7 7 LEU HB2 H 1 1.550 0.040 . 2 . . . A 7 LEU HB2 . 11496 1 83 . 1 1 7 7 LEU HB3 H 1 1.550 0.040 . 2 . . . A 7 LEU HB3 . 11496 1 84 . 1 1 7 7 LEU HG H 1 1.681 0.040 . 1 . . . A 7 LEU HG . 11496 1 85 . 1 1 7 7 LEU HD11 H 1 0.914 0.040 . 2 . . . A 7 LEU HD11 . 11496 1 86 . 1 1 7 7 LEU HD12 H 1 0.914 0.040 . 2 . . . A 7 LEU HD12 . 11496 1 87 . 1 1 7 7 LEU HD13 H 1 0.914 0.040 . 2 . . . A 7 LEU HD13 . 11496 1 88 . 1 1 7 7 LEU HD21 H 1 0.892 0.040 . 2 . . . A 7 LEU HD21 . 11496 1 89 . 1 1 7 7 LEU HD22 H 1 0.892 0.040 . 2 . . . A 7 LEU HD22 . 11496 1 90 . 1 1 7 7 LEU HD23 H 1 0.892 0.040 . 2 . . . A 7 LEU HD23 . 11496 1 91 . 1 1 7 7 LEU CA C 13 53.009 0.450 . 1 . . . A 7 LEU CA . 11496 1 92 . 1 1 7 7 LEU CB C 13 41.574 0.450 . 1 . . . A 7 LEU CB . 11496 1 93 . 1 1 7 7 LEU CG C 13 27.050 0.450 . 1 . . . A 7 LEU CG . 11496 1 94 . 1 1 7 7 LEU CD1 C 13 25.186 0.450 . 1 . . . A 7 LEU CD1 . 11496 1 95 . 1 1 7 7 LEU CD2 C 13 23.237 0.450 . 1 . . . A 7 LEU CD2 . 11496 1 96 . 1 1 7 7 LEU N N 15 123.367 0.450 . 1 . . . A 7 LEU N . 11496 1 97 . 1 1 8 8 PRO HA H 1 4.335 0.040 . 1 . . . A 8 PRO HA . 11496 1 98 . 1 1 8 8 PRO HB2 H 1 2.220 0.040 . 2 . . . A 8 PRO HB2 . 11496 1 99 . 1 1 8 8 PRO HB3 H 1 1.824 0.040 . 2 . . . A 8 PRO HB3 . 11496 1 100 . 1 1 8 8 PRO HG2 H 1 1.960 0.040 . 2 . . . A 8 PRO HG2 . 11496 1 101 . 1 1 8 8 PRO HG3 H 1 1.960 0.040 . 2 . . . A 8 PRO HG3 . 11496 1 102 . 1 1 8 8 PRO HD2 H 1 3.767 0.040 . 2 . . . A 8 PRO HD2 . 11496 1 103 . 1 1 8 8 PRO HD3 H 1 3.607 0.040 . 2 . . . A 8 PRO HD3 . 11496 1 104 . 1 1 8 8 PRO C C 13 176.451 0.450 . 1 . . . A 8 PRO C . 11496 1 105 . 1 1 8 8 PRO CA C 13 63.116 0.450 . 1 . . . A 8 PRO CA . 11496 1 106 . 1 1 8 8 PRO CB C 13 32.078 0.450 . 1 . . . A 8 PRO CB . 11496 1 107 . 1 1 8 8 PRO CG C 13 27.261 0.450 . 1 . . . A 8 PRO CG . 11496 1 108 . 1 1 8 8 PRO CD C 13 50.408 0.450 . 1 . . . A 8 PRO CD . 11496 1 109 . 1 1 9 9 ASP H H 1 8.324 0.040 . 1 . . . A 9 ASP H . 11496 1 110 . 1 1 9 9 ASP HA H 1 4.539 0.040 . 1 . . . A 9 ASP HA . 11496 1 111 . 1 1 9 9 ASP HB2 H 1 2.679 0.040 . 2 . . . A 9 ASP HB2 . 11496 1 112 . 1 1 9 9 ASP HB3 H 1 2.541 0.040 . 2 . . . A 9 ASP HB3 . 11496 1 113 . 1 1 9 9 ASP C C 13 176.304 0.450 . 1 . . . A 9 ASP C . 11496 1 114 . 1 1 9 9 ASP CA C 13 54.315 0.450 . 1 . . . A 9 ASP CA . 11496 1 115 . 1 1 9 9 ASP CB C 13 41.064 0.450 . 1 . . . A 9 ASP CB . 11496 1 116 . 1 1 9 9 ASP N N 15 120.273 0.450 . 1 . . . A 9 ASP N . 11496 1 117 . 1 1 10 10 ILE H H 1 7.999 0.040 . 1 . . . A 10 ILE H . 11496 1 118 . 1 1 10 10 ILE HA H 1 4.117 0.040 . 1 . . . A 10 ILE HA . 11496 1 119 . 1 1 10 10 ILE HB H 1 1.823 0.040 . 1 . . . A 10 ILE HB . 11496 1 120 . 1 1 10 10 ILE HG12 H 1 1.395 0.040 . 2 . . . A 10 ILE HG12 . 11496 1 121 . 1 1 10 10 ILE HG13 H 1 1.140 0.040 . 2 . . . A 10 ILE HG13 . 11496 1 122 . 1 1 10 10 ILE HG21 H 1 0.860 0.040 . 1 . . . A 10 ILE HG21 . 11496 1 123 . 1 1 10 10 ILE HG22 H 1 0.860 0.040 . 1 . . . A 10 ILE HG22 . 11496 1 124 . 1 1 10 10 ILE HG23 H 1 0.860 0.040 . 1 . . . A 10 ILE HG23 . 11496 1 125 . 1 1 10 10 ILE HD11 H 1 0.821 0.040 . 1 . . . A 10 ILE HD11 . 11496 1 126 . 1 1 10 10 ILE HD12 H 1 0.821 0.040 . 1 . . . A 10 ILE HD12 . 11496 1 127 . 1 1 10 10 ILE HD13 H 1 0.821 0.040 . 1 . . . A 10 ILE HD13 . 11496 1 128 . 1 1 10 10 ILE C C 13 175.865 0.450 . 1 . . . A 10 ILE C . 11496 1 129 . 1 1 10 10 ILE CA C 13 61.277 0.450 . 1 . . . A 10 ILE CA . 11496 1 130 . 1 1 10 10 ILE CB C 13 38.967 0.450 . 1 . . . A 10 ILE CB . 11496 1 131 . 1 1 10 10 ILE CG1 C 13 27.101 0.450 . 1 . . . A 10 ILE CG1 . 11496 1 132 . 1 1 10 10 ILE CG2 C 13 17.438 0.450 . 1 . . . A 10 ILE CG2 . 11496 1 133 . 1 1 10 10 ILE CD1 C 13 13.096 0.450 . 1 . . . A 10 ILE CD1 . 11496 1 134 . 1 1 10 10 ILE N N 15 120.298 0.450 . 1 . . . A 10 ILE N . 11496 1 135 . 1 1 11 11 ASP H H 1 8.359 0.040 . 1 . . . A 11 ASP H . 11496 1 136 . 1 1 11 11 ASP HA H 1 4.606 0.040 . 1 . . . A 11 ASP HA . 11496 1 137 . 1 1 11 11 ASP HB2 H 1 2.693 0.040 . 2 . . . A 11 ASP HB2 . 11496 1 138 . 1 1 11 11 ASP HB3 H 1 2.568 0.040 . 2 . . . A 11 ASP HB3 . 11496 1 139 . 1 1 11 11 ASP C C 13 176.194 0.450 . 1 . . . A 11 ASP C . 11496 1 140 . 1 1 11 11 ASP CA C 13 54.305 0.450 . 1 . . . A 11 ASP CA . 11496 1 141 . 1 1 11 11 ASP CB C 13 41.173 0.450 . 1 . . . A 11 ASP CB . 11496 1 142 . 1 1 11 11 ASP N N 15 123.836 0.450 . 1 . . . A 11 ASP N . 11496 1 143 . 1 1 12 12 SER H H 1 8.166 0.040 . 1 . . . A 12 SER H . 11496 1 144 . 1 1 12 12 SER HA H 1 4.354 0.040 . 1 . . . A 12 SER HA . 11496 1 145 . 1 1 12 12 SER HB2 H 1 3.860 0.040 . 2 . . . A 12 SER HB2 . 11496 1 146 . 1 1 12 12 SER HB3 H 1 3.804 0.040 . 2 . . . A 12 SER HB3 . 11496 1 147 . 1 1 12 12 SER C C 13 174.378 0.450 . 1 . . . A 12 SER C . 11496 1 148 . 1 1 12 12 SER CA C 13 58.478 0.450 . 1 . . . A 12 SER CA . 11496 1 149 . 1 1 12 12 SER CB C 13 63.774 0.450 . 1 . . . A 12 SER CB . 11496 1 150 . 1 1 12 12 SER N N 15 116.514 0.450 . 1 . . . A 12 SER N . 11496 1 151 . 1 1 13 13 ASN H H 1 8.505 0.040 . 1 . . . A 13 ASN H . 11496 1 152 . 1 1 13 13 ASN HA H 1 4.679 0.040 . 1 . . . A 13 ASN HA . 11496 1 153 . 1 1 13 13 ASN HB2 H 1 2.803 0.040 . 2 . . . A 13 ASN HB2 . 11496 1 154 . 1 1 13 13 ASN HB3 H 1 2.743 0.040 . 2 . . . A 13 ASN HB3 . 11496 1 155 . 1 1 13 13 ASN HD21 H 1 7.624 0.040 . 2 . . . A 13 ASN HD21 . 11496 1 156 . 1 1 13 13 ASN HD22 H 1 6.856 0.040 . 2 . . . A 13 ASN HD22 . 11496 1 157 . 1 1 13 13 ASN C C 13 175.256 0.450 . 1 . . . A 13 ASN C . 11496 1 158 . 1 1 13 13 ASN CA C 13 53.335 0.450 . 1 . . . A 13 ASN CA . 11496 1 159 . 1 1 13 13 ASN CB C 13 38.918 0.450 . 1 . . . A 13 ASN CB . 11496 1 160 . 1 1 13 13 ASN CG C 13 177.219 0.450 . 1 . . . A 13 ASN CG . 11496 1 161 . 1 1 13 13 ASN N N 15 120.909 0.450 . 1 . . . A 13 ASN N . 11496 1 162 . 1 1 13 13 ASN ND2 N 15 113.312 0.450 . 1 . . . A 13 ASN ND2 . 11496 1 163 . 1 1 14 14 GLU H H 1 8.354 0.040 . 1 . . . A 14 GLU H . 11496 1 164 . 1 1 14 14 GLU HA H 1 4.203 0.040 . 1 . . . A 14 GLU HA . 11496 1 165 . 1 1 14 14 GLU HB2 H 1 2.002 0.040 . 2 . . . A 14 GLU HB2 . 11496 1 166 . 1 1 14 14 GLU HB3 H 1 1.892 0.040 . 2 . . . A 14 GLU HB3 . 11496 1 167 . 1 1 14 14 GLU HG2 H 1 2.211 0.040 . 2 . . . A 14 GLU HG2 . 11496 1 168 . 1 1 14 14 GLU HG3 H 1 2.211 0.040 . 2 . . . A 14 GLU HG3 . 11496 1 169 . 1 1 14 14 GLU C C 13 177.116 0.450 . 1 . . . A 14 GLU C . 11496 1 170 . 1 1 14 14 GLU CA C 13 57.048 0.450 . 1 . . . A 14 GLU CA . 11496 1 171 . 1 1 14 14 GLU CB C 13 30.043 0.450 . 1 . . . A 14 GLU CB . 11496 1 172 . 1 1 14 14 GLU CG C 13 36.181 0.450 . 1 . . . A 14 GLU CG . 11496 1 173 . 1 1 14 14 GLU N N 15 121.200 0.450 . 1 . . . A 14 GLU N . 11496 1 174 . 1 1 15 15 GLY H H 1 8.371 0.040 . 1 . . . A 15 GLY H . 11496 1 175 . 1 1 15 15 GLY HA2 H 1 3.901 0.040 . 2 . . . A 15 GLY HA2 . 11496 1 176 . 1 1 15 15 GLY HA3 H 1 3.901 0.040 . 2 . . . A 15 GLY HA3 . 11496 1 177 . 1 1 15 15 GLY C C 13 174.039 0.450 . 1 . . . A 15 GLY C . 11496 1 178 . 1 1 15 15 GLY CA C 13 45.187 0.450 . 1 . . . A 15 GLY CA . 11496 1 179 . 1 1 15 15 GLY N N 15 109.644 0.450 . 1 . . . A 15 GLY N . 11496 1 180 . 1 1 16 16 GLU H H 1 8.189 0.040 . 1 . . . A 16 GLU H . 11496 1 181 . 1 1 16 16 GLU HA H 1 4.292 0.040 . 1 . . . A 16 GLU HA . 11496 1 182 . 1 1 16 16 GLU HB2 H 1 2.030 0.040 . 2 . . . A 16 GLU HB2 . 11496 1 183 . 1 1 16 16 GLU HB3 H 1 1.892 0.040 . 2 . . . A 16 GLU HB3 . 11496 1 184 . 1 1 16 16 GLU HG2 H 1 2.197 0.040 . 2 . . . A 16 GLU HG2 . 11496 1 185 . 1 1 16 16 GLU HG3 H 1 2.197 0.040 . 2 . . . A 16 GLU HG3 . 11496 1 186 . 1 1 16 16 GLU C C 13 176.852 0.450 . 1 . . . A 16 GLU C . 11496 1 187 . 1 1 16 16 GLU CA C 13 56.572 0.450 . 1 . . . A 16 GLU CA . 11496 1 188 . 1 1 16 16 GLU CB C 13 30.267 0.450 . 1 . . . A 16 GLU CB . 11496 1 189 . 1 1 16 16 GLU CG C 13 36.222 0.450 . 1 . . . A 16 GLU CG . 11496 1 190 . 1 1 16 16 GLU N N 15 120.492 0.450 . 1 . . . A 16 GLU N . 11496 1 191 . 1 1 17 17 THR H H 1 8.208 0.040 . 1 . . . A 17 THR H . 11496 1 192 . 1 1 17 17 THR HA H 1 4.308 0.040 . 1 . . . A 17 THR HA . 11496 1 193 . 1 1 17 17 THR HB H 1 4.170 0.040 . 1 . . . A 17 THR HB . 11496 1 194 . 1 1 17 17 THR HG21 H 1 1.123 0.040 . 1 . . . A 17 THR HG21 . 11496 1 195 . 1 1 17 17 THR HG22 H 1 1.123 0.040 . 1 . . . A 17 THR HG22 . 11496 1 196 . 1 1 17 17 THR HG23 H 1 1.123 0.040 . 1 . . . A 17 THR HG23 . 11496 1 197 . 1 1 17 17 THR C C 13 174.220 0.450 . 1 . . . A 17 THR C . 11496 1 198 . 1 1 17 17 THR CA C 13 61.729 0.450 . 1 . . . A 17 THR CA . 11496 1 199 . 1 1 17 17 THR CB C 13 69.988 0.450 . 1 . . . A 17 THR CB . 11496 1 200 . 1 1 17 17 THR CG2 C 13 21.324 0.450 . 1 . . . A 17 THR CG2 . 11496 1 201 . 1 1 17 17 THR N N 15 114.680 0.450 . 1 . . . A 17 THR N . 11496 1 202 . 1 1 18 18 ASP H H 1 8.267 0.040 . 1 . . . A 18 ASP H . 11496 1 203 . 1 1 18 18 ASP HA H 1 4.571 0.040 . 1 . . . A 18 ASP HA . 11496 1 204 . 1 1 18 18 ASP HB2 H 1 2.651 0.040 . 2 . . . A 18 ASP HB2 . 11496 1 205 . 1 1 18 18 ASP HB3 H 1 2.596 0.040 . 2 . . . A 18 ASP HB3 . 11496 1 206 . 1 1 18 18 ASP C C 13 176.260 0.450 . 1 . . . A 18 ASP C . 11496 1 207 . 1 1 18 18 ASP CA C 13 54.313 0.450 . 1 . . . A 18 ASP CA . 11496 1 208 . 1 1 18 18 ASP CB C 13 41.121 0.450 . 1 . . . A 18 ASP CB . 11496 1 209 . 1 1 18 18 ASP N N 15 122.790 0.450 . 1 . . . A 18 ASP N . 11496 1 210 . 1 1 19 19 ALA H H 1 8.235 0.040 . 1 . . . A 19 ALA H . 11496 1 211 . 1 1 19 19 ALA HA H 1 4.083 0.040 . 1 . . . A 19 ALA HA . 11496 1 212 . 1 1 19 19 ALA HB1 H 1 1.298 0.040 . 1 . . . A 19 ALA HB1 . 11496 1 213 . 1 1 19 19 ALA HB2 H 1 1.298 0.040 . 1 . . . A 19 ALA HB2 . 11496 1 214 . 1 1 19 19 ALA HB3 H 1 1.298 0.040 . 1 . . . A 19 ALA HB3 . 11496 1 215 . 1 1 19 19 ALA C C 13 177.291 0.450 . 1 . . . A 19 ALA C . 11496 1 216 . 1 1 19 19 ALA CA C 13 53.481 0.450 . 1 . . . A 19 ALA CA . 11496 1 217 . 1 1 19 19 ALA CB C 13 18.978 0.450 . 1 . . . A 19 ALA CB . 11496 1 218 . 1 1 19 19 ALA N N 15 123.658 0.450 . 1 . . . A 19 ALA N . 11496 1 219 . 1 1 20 20 ASP H H 1 8.339 0.040 . 1 . . . A 20 ASP H . 11496 1 220 . 1 1 20 20 ASP HA H 1 4.568 0.040 . 1 . . . A 20 ASP HA . 11496 1 221 . 1 1 20 20 ASP HB2 H 1 2.920 0.040 . 2 . . . A 20 ASP HB2 . 11496 1 222 . 1 1 20 20 ASP HB3 H 1 2.765 0.040 . 2 . . . A 20 ASP HB3 . 11496 1 223 . 1 1 20 20 ASP C C 13 173.710 0.450 . 1 . . . A 20 ASP C . 11496 1 224 . 1 1 20 20 ASP CA C 13 53.748 0.450 . 1 . . . A 20 ASP CA . 11496 1 225 . 1 1 20 20 ASP CB C 13 40.125 0.450 . 1 . . . A 20 ASP CB . 11496 1 226 . 1 1 20 20 ASP N N 15 115.767 0.450 . 1 . . . A 20 ASP N . 11496 1 227 . 1 1 21 21 VAL H H 1 7.022 0.040 . 1 . . . A 21 VAL H . 11496 1 228 . 1 1 21 21 VAL HA H 1 4.570 0.040 . 1 . . . A 21 VAL HA . 11496 1 229 . 1 1 21 21 VAL HB H 1 1.826 0.040 . 1 . . . A 21 VAL HB . 11496 1 230 . 1 1 21 21 VAL HG11 H 1 0.868 0.040 . 2 . . . A 21 VAL HG11 . 11496 1 231 . 1 1 21 21 VAL HG12 H 1 0.868 0.040 . 2 . . . A 21 VAL HG12 . 11496 1 232 . 1 1 21 21 VAL HG13 H 1 0.868 0.040 . 2 . . . A 21 VAL HG13 . 11496 1 233 . 1 1 21 21 VAL HG21 H 1 0.833 0.040 . 2 . . . A 21 VAL HG21 . 11496 1 234 . 1 1 21 21 VAL HG22 H 1 0.833 0.040 . 2 . . . A 21 VAL HG22 . 11496 1 235 . 1 1 21 21 VAL HG23 H 1 0.833 0.040 . 2 . . . A 21 VAL HG23 . 11496 1 236 . 1 1 21 21 VAL C C 13 175.245 0.450 . 1 . . . A 21 VAL C . 11496 1 237 . 1 1 21 21 VAL CA C 13 61.467 0.450 . 1 . . . A 21 VAL CA . 11496 1 238 . 1 1 21 21 VAL CB C 13 33.024 0.450 . 1 . . . A 21 VAL CB . 11496 1 239 . 1 1 21 21 VAL CG1 C 13 21.462 0.450 . 1 . . . A 21 VAL CG1 . 11496 1 240 . 1 1 21 21 VAL CG2 C 13 21.603 0.450 . 1 . . . A 21 VAL CG2 . 11496 1 241 . 1 1 21 21 VAL N N 15 117.802 0.450 . 1 . . . A 21 VAL N . 11496 1 242 . 1 1 22 22 TYR H H 1 8.860 0.040 . 1 . . . A 22 TYR H . 11496 1 243 . 1 1 22 22 TYR HA H 1 4.703 0.040 . 1 . . . A 22 TYR HA . 11496 1 244 . 1 1 22 22 TYR HB2 H 1 3.065 0.040 . 2 . . . A 22 TYR HB2 . 11496 1 245 . 1 1 22 22 TYR HB3 H 1 2.433 0.040 . 2 . . . A 22 TYR HB3 . 11496 1 246 . 1 1 22 22 TYR HD1 H 1 6.823 0.040 . 1 . . . A 22 TYR HD1 . 11496 1 247 . 1 1 22 22 TYR HD2 H 1 6.823 0.040 . 1 . . . A 22 TYR HD2 . 11496 1 248 . 1 1 22 22 TYR HE1 H 1 6.613 0.040 . 1 . . . A 22 TYR HE1 . 11496 1 249 . 1 1 22 22 TYR HE2 H 1 6.613 0.040 . 1 . . . A 22 TYR HE2 . 11496 1 250 . 1 1 22 22 TYR C C 13 174.368 0.450 . 1 . . . A 22 TYR C . 11496 1 251 . 1 1 22 22 TYR CA C 13 56.556 0.450 . 1 . . . A 22 TYR CA . 11496 1 252 . 1 1 22 22 TYR CB C 13 43.178 0.450 . 1 . . . A 22 TYR CB . 11496 1 253 . 1 1 22 22 TYR CD1 C 13 134.303 0.450 . 1 . . . A 22 TYR CD1 . 11496 1 254 . 1 1 22 22 TYR CD2 C 13 134.303 0.450 . 1 . . . A 22 TYR CD2 . 11496 1 255 . 1 1 22 22 TYR CE1 C 13 118.532 0.450 . 1 . . . A 22 TYR CE1 . 11496 1 256 . 1 1 22 22 TYR CE2 C 13 118.532 0.450 . 1 . . . A 22 TYR CE2 . 11496 1 257 . 1 1 22 22 TYR N N 15 124.245 0.450 . 1 . . . A 22 TYR N . 11496 1 258 . 1 1 23 23 GLU H H 1 8.737 0.040 . 1 . . . A 23 GLU H . 11496 1 259 . 1 1 23 23 GLU HA H 1 4.830 0.040 . 1 . . . A 23 GLU HA . 11496 1 260 . 1 1 23 23 GLU HB2 H 1 1.933 0.040 . 2 . . . A 23 GLU HB2 . 11496 1 261 . 1 1 23 23 GLU HB3 H 1 2.126 0.040 . 2 . . . A 23 GLU HB3 . 11496 1 262 . 1 1 23 23 GLU HG2 H 1 2.551 0.040 . 2 . . . A 23 GLU HG2 . 11496 1 263 . 1 1 23 23 GLU HG3 H 1 2.039 0.040 . 2 . . . A 23 GLU HG3 . 11496 1 264 . 1 1 23 23 GLU C C 13 176.852 0.450 . 1 . . . A 23 GLU C . 11496 1 265 . 1 1 23 23 GLU CA C 13 56.134 0.450 . 1 . . . A 23 GLU CA . 11496 1 266 . 1 1 23 23 GLU CB C 13 30.678 0.450 . 1 . . . A 23 GLU CB . 11496 1 267 . 1 1 23 23 GLU CG C 13 36.068 0.450 . 1 . . . A 23 GLU CG . 11496 1 268 . 1 1 23 23 GLU N N 15 120.483 0.450 . 1 . . . A 23 GLU N . 11496 1 269 . 1 1 24 24 VAL H H 1 8.967 0.040 . 1 . . . A 24 VAL H . 11496 1 270 . 1 1 24 24 VAL HA H 1 3.431 0.040 . 1 . . . A 24 VAL HA . 11496 1 271 . 1 1 24 24 VAL HB H 1 1.498 0.040 . 1 . . . A 24 VAL HB . 11496 1 272 . 1 1 24 24 VAL HG11 H 1 0.505 0.040 . 2 . . . A 24 VAL HG11 . 11496 1 273 . 1 1 24 24 VAL HG12 H 1 0.505 0.040 . 2 . . . A 24 VAL HG12 . 11496 1 274 . 1 1 24 24 VAL HG13 H 1 0.505 0.040 . 2 . . . A 24 VAL HG13 . 11496 1 275 . 1 1 24 24 VAL HG21 H 1 0.337 0.040 . 2 . . . A 24 VAL HG21 . 11496 1 276 . 1 1 24 24 VAL HG22 H 1 0.337 0.040 . 2 . . . A 24 VAL HG22 . 11496 1 277 . 1 1 24 24 VAL HG23 H 1 0.337 0.040 . 2 . . . A 24 VAL HG23 . 11496 1 278 . 1 1 24 24 VAL C C 13 174.039 0.450 . 1 . . . A 24 VAL C . 11496 1 279 . 1 1 24 24 VAL CA C 13 62.674 0.450 . 1 . . . A 24 VAL CA . 11496 1 280 . 1 1 24 24 VAL CB C 13 34.023 0.450 . 1 . . . A 24 VAL CB . 11496 1 281 . 1 1 24 24 VAL CG1 C 13 23.539 0.450 . 1 . . . A 24 VAL CG1 . 11496 1 282 . 1 1 24 24 VAL CG2 C 13 21.238 0.450 . 1 . . . A 24 VAL CG2 . 11496 1 283 . 1 1 24 24 VAL N N 15 130.946 0.450 . 1 . . . A 24 VAL N . 11496 1 284 . 1 1 25 25 GLU H H 1 8.901 0.040 . 1 . . . A 25 GLU H . 11496 1 285 . 1 1 25 25 GLU HA H 1 4.340 0.040 . 1 . . . A 25 GLU HA . 11496 1 286 . 1 1 25 25 GLU HB2 H 1 1.599 0.040 . 2 . . . A 25 GLU HB2 . 11496 1 287 . 1 1 25 25 GLU HB3 H 1 1.599 0.040 . 2 . . . A 25 GLU HB3 . 11496 1 288 . 1 1 25 25 GLU HG2 H 1 2.207 0.040 . 2 . . . A 25 GLU HG2 . 11496 1 289 . 1 1 25 25 GLU HG3 H 1 2.207 0.040 . 2 . . . A 25 GLU HG3 . 11496 1 290 . 1 1 25 25 GLU C C 13 175.427 0.450 . 1 . . . A 25 GLU C . 11496 1 291 . 1 1 25 25 GLU CA C 13 57.507 0.450 . 1 . . . A 25 GLU CA . 11496 1 292 . 1 1 25 25 GLU CB C 13 31.171 0.450 . 1 . . . A 25 GLU CB . 11496 1 293 . 1 1 25 25 GLU CG C 13 35.694 0.450 . 1 . . . A 25 GLU CG . 11496 1 294 . 1 1 25 25 GLU N N 15 128.033 0.450 . 1 . . . A 25 GLU N . 11496 1 295 . 1 1 26 26 ASP H H 1 7.874 0.040 . 1 . . . A 26 ASP H . 11496 1 296 . 1 1 26 26 ASP HA H 1 4.563 0.040 . 1 . . . A 26 ASP HA . 11496 1 297 . 1 1 26 26 ASP HB2 H 1 2.347 0.040 . 2 . . . A 26 ASP HB2 . 11496 1 298 . 1 1 26 26 ASP HB3 H 1 2.140 0.040 . 2 . . . A 26 ASP HB3 . 11496 1 299 . 1 1 26 26 ASP C C 13 173.501 0.450 . 1 . . . A 26 ASP C . 11496 1 300 . 1 1 26 26 ASP CA C 13 53.152 0.450 . 1 . . . A 26 ASP CA . 11496 1 301 . 1 1 26 26 ASP CB C 13 44.888 0.450 . 1 . . . A 26 ASP CB . 11496 1 302 . 1 1 26 26 ASP N N 15 114.891 0.450 . 1 . . . A 26 ASP N . 11496 1 303 . 1 1 27 27 ILE H H 1 8.032 0.040 . 1 . . . A 27 ILE H . 11496 1 304 . 1 1 27 27 ILE HA H 1 3.844 0.040 . 1 . . . A 27 ILE HA . 11496 1 305 . 1 1 27 27 ILE HB H 1 0.935 0.040 . 1 . . . A 27 ILE HB . 11496 1 306 . 1 1 27 27 ILE HG12 H 1 1.057 0.040 . 2 . . . A 27 ILE HG12 . 11496 1 307 . 1 1 27 27 ILE HG13 H 1 1.057 0.040 . 2 . . . A 27 ILE HG13 . 11496 1 308 . 1 1 27 27 ILE HG21 H 1 -0.391 0.040 . 1 . . . A 27 ILE HG21 . 11496 1 309 . 1 1 27 27 ILE HG22 H 1 -0.391 0.040 . 1 . . . A 27 ILE HG22 . 11496 1 310 . 1 1 27 27 ILE HG23 H 1 -0.391 0.040 . 1 . . . A 27 ILE HG23 . 11496 1 311 . 1 1 27 27 ILE HD11 H 1 0.276 0.040 . 1 . . . A 27 ILE HD11 . 11496 1 312 . 1 1 27 27 ILE HD12 H 1 0.276 0.040 . 1 . . . A 27 ILE HD12 . 11496 1 313 . 1 1 27 27 ILE HD13 H 1 0.276 0.040 . 1 . . . A 27 ILE HD13 . 11496 1 314 . 1 1 27 27 ILE C C 13 174.258 0.450 . 1 . . . A 27 ILE C . 11496 1 315 . 1 1 27 27 ILE CA C 13 60.740 0.450 . 1 . . . A 27 ILE CA . 11496 1 316 . 1 1 27 27 ILE CB C 13 40.417 0.450 . 1 . . . A 27 ILE CB . 11496 1 317 . 1 1 27 27 ILE CG1 C 13 27.559 0.450 . 1 . . . A 27 ILE CG1 . 11496 1 318 . 1 1 27 27 ILE CG2 C 13 17.107 0.450 . 1 . . . A 27 ILE CG2 . 11496 1 319 . 1 1 27 27 ILE CD1 C 13 14.077 0.450 . 1 . . . A 27 ILE CD1 . 11496 1 320 . 1 1 27 27 ILE N N 15 118.778 0.450 . 1 . . . A 27 ILE N . 11496 1 321 . 1 1 28 28 LEU H H 1 8.587 0.040 . 1 . . . A 28 LEU H . 11496 1 322 . 1 1 28 28 LEU HA H 1 4.333 0.040 . 1 . . . A 28 LEU HA . 11496 1 323 . 1 1 28 28 LEU HB2 H 1 1.610 0.040 . 2 . . . A 28 LEU HB2 . 11496 1 324 . 1 1 28 28 LEU HB3 H 1 1.282 0.040 . 2 . . . A 28 LEU HB3 . 11496 1 325 . 1 1 28 28 LEU HG H 1 1.286 0.040 . 1 . . . A 28 LEU HG . 11496 1 326 . 1 1 28 28 LEU HD11 H 1 0.690 0.040 . 2 . . . A 28 LEU HD11 . 11496 1 327 . 1 1 28 28 LEU HD12 H 1 0.690 0.040 . 2 . . . A 28 LEU HD12 . 11496 1 328 . 1 1 28 28 LEU HD13 H 1 0.690 0.040 . 2 . . . A 28 LEU HD13 . 11496 1 329 . 1 1 28 28 LEU HD21 H 1 0.502 0.040 . 2 . . . A 28 LEU HD21 . 11496 1 330 . 1 1 28 28 LEU HD22 H 1 0.502 0.040 . 2 . . . A 28 LEU HD22 . 11496 1 331 . 1 1 28 28 LEU HD23 H 1 0.502 0.040 . 2 . . . A 28 LEU HD23 . 11496 1 332 . 1 1 28 28 LEU C C 13 176.732 0.450 . 1 . . . A 28 LEU C . 11496 1 333 . 1 1 28 28 LEU CA C 13 54.402 0.450 . 1 . . . A 28 LEU CA . 11496 1 334 . 1 1 28 28 LEU CB C 13 44.472 0.450 . 1 . . . A 28 LEU CB . 11496 1 335 . 1 1 28 28 LEU CG C 13 27.528 0.450 . 1 . . . A 28 LEU CG . 11496 1 336 . 1 1 28 28 LEU CD1 C 13 22.928 0.450 . 1 . . . A 28 LEU CD1 . 11496 1 337 . 1 1 28 28 LEU CD2 C 13 25.858 0.450 . 1 . . . A 28 LEU CD2 . 11496 1 338 . 1 1 28 28 LEU N N 15 122.573 0.450 . 1 . . . A 28 LEU N . 11496 1 339 . 1 1 29 29 ALA H H 1 7.025 0.040 . 1 . . . A 29 ALA H . 11496 1 340 . 1 1 29 29 ALA HA H 1 4.658 0.040 . 1 . . . A 29 ALA HA . 11496 1 341 . 1 1 29 29 ALA HB1 H 1 1.383 0.040 . 1 . . . A 29 ALA HB1 . 11496 1 342 . 1 1 29 29 ALA HB2 H 1 1.383 0.040 . 1 . . . A 29 ALA HB2 . 11496 1 343 . 1 1 29 29 ALA HB3 H 1 1.383 0.040 . 1 . . . A 29 ALA HB3 . 11496 1 344 . 1 1 29 29 ALA C C 13 174.220 0.450 . 1 . . . A 29 ALA C . 11496 1 345 . 1 1 29 29 ALA CA C 13 51.902 0.450 . 1 . . . A 29 ALA CA . 11496 1 346 . 1 1 29 29 ALA CB C 13 21.356 0.450 . 1 . . . A 29 ALA CB . 11496 1 347 . 1 1 29 29 ALA N N 15 118.547 0.450 . 1 . . . A 29 ALA N . 11496 1 348 . 1 1 30 30 ASP H H 1 8.686 0.040 . 1 . . . A 30 ASP H . 11496 1 349 . 1 1 30 30 ASP HA H 1 5.549 0.040 . 1 . . . A 30 ASP HA . 11496 1 350 . 1 1 30 30 ASP HB2 H 1 2.651 0.040 . 2 . . . A 30 ASP HB2 . 11496 1 351 . 1 1 30 30 ASP HB3 H 1 2.734 0.040 . 2 . . . A 30 ASP HB3 . 11496 1 352 . 1 1 30 30 ASP C C 13 173.880 0.450 . 1 . . . A 30 ASP C . 11496 1 353 . 1 1 30 30 ASP CA C 13 53.111 0.450 . 1 . . . A 30 ASP CA . 11496 1 354 . 1 1 30 30 ASP CB C 13 45.357 0.450 . 1 . . . A 30 ASP CB . 11496 1 355 . 1 1 30 30 ASP N N 15 116.930 0.450 . 1 . . . A 30 ASP N . 11496 1 356 . 1 1 31 31 ARG H H 1 8.682 0.040 . 1 . . . A 31 ARG H . 11496 1 357 . 1 1 31 31 ARG HA H 1 4.560 0.040 . 1 . . . A 31 ARG HA . 11496 1 358 . 1 1 31 31 ARG HB2 H 1 1.590 0.040 . 2 . . . A 31 ARG HB2 . 11496 1 359 . 1 1 31 31 ARG HB3 H 1 1.590 0.040 . 2 . . . A 31 ARG HB3 . 11496 1 360 . 1 1 31 31 ARG C C 13 172.795 0.450 . 1 . . . A 31 ARG C . 11496 1 361 . 1 1 31 31 ARG CA C 13 55.139 0.450 . 1 . . . A 31 ARG CA . 11496 1 362 . 1 1 31 31 ARG CB C 13 31.245 0.450 . 1 . . . A 31 ARG CB . 11496 1 363 . 1 1 31 31 ARG N N 15 114.287 0.450 . 1 . . . A 31 ARG N . 11496 1 364 . 1 1 32 32 VAL H H 1 8.362 0.040 . 1 . . . A 32 VAL H . 11496 1 365 . 1 1 32 32 VAL HA H 1 4.449 0.040 . 1 . . . A 32 VAL HA . 11496 1 366 . 1 1 32 32 VAL HB H 1 1.767 0.040 . 1 . . . A 32 VAL HB . 11496 1 367 . 1 1 32 32 VAL HG11 H 1 0.859 0.040 . 2 . . . A 32 VAL HG11 . 11496 1 368 . 1 1 32 32 VAL HG12 H 1 0.859 0.040 . 2 . . . A 32 VAL HG12 . 11496 1 369 . 1 1 32 32 VAL HG13 H 1 0.859 0.040 . 2 . . . A 32 VAL HG13 . 11496 1 370 . 1 1 32 32 VAL HG21 H 1 0.813 0.040 . 2 . . . A 32 VAL HG21 . 11496 1 371 . 1 1 32 32 VAL HG22 H 1 0.813 0.040 . 2 . . . A 32 VAL HG22 . 11496 1 372 . 1 1 32 32 VAL HG23 H 1 0.813 0.040 . 2 . . . A 32 VAL HG23 . 11496 1 373 . 1 1 32 32 VAL C C 13 176.633 0.450 . 1 . . . A 32 VAL C . 11496 1 374 . 1 1 32 32 VAL CA C 13 61.434 0.450 . 1 . . . A 32 VAL CA . 11496 1 375 . 1 1 32 32 VAL CB C 13 32.977 0.450 . 1 . . . A 32 VAL CB . 11496 1 376 . 1 1 32 32 VAL CG1 C 13 20.815 0.450 . 1 . . . A 32 VAL CG1 . 11496 1 377 . 1 1 32 32 VAL CG2 C 13 20.727 0.450 . 1 . . . A 32 VAL CG2 . 11496 1 378 . 1 1 32 32 VAL N N 15 120.494 0.450 . 1 . . . A 32 VAL N . 11496 1 379 . 1 1 33 33 ASN H H 1 8.774 0.040 . 1 . . . A 33 ASN H . 11496 1 380 . 1 1 33 33 ASN HA H 1 4.451 0.040 . 1 . . . A 33 ASN HA . 11496 1 381 . 1 1 33 33 ASN HB2 H 1 2.587 0.040 . 2 . . . A 33 ASN HB2 . 11496 1 382 . 1 1 33 33 ASN HB3 H 1 3.265 0.040 . 2 . . . A 33 ASN HB3 . 11496 1 383 . 1 1 33 33 ASN HD21 H 1 7.918 0.040 . 2 . . . A 33 ASN HD21 . 11496 1 384 . 1 1 33 33 ASN HD22 H 1 6.734 0.040 . 2 . . . A 33 ASN HD22 . 11496 1 385 . 1 1 33 33 ASN C C 13 177.291 0.450 . 1 . . . A 33 ASN C . 11496 1 386 . 1 1 33 33 ASN CA C 13 51.392 0.450 . 1 . . . A 33 ASN CA . 11496 1 387 . 1 1 33 33 ASN CB C 13 38.733 0.450 . 1 . . . A 33 ASN CB . 11496 1 388 . 1 1 33 33 ASN CG C 13 176.834 0.450 . 1 . . . A 33 ASN CG . 11496 1 389 . 1 1 33 33 ASN N N 15 126.450 0.450 . 1 . . . A 33 ASN N . 11496 1 390 . 1 1 33 33 ASN ND2 N 15 112.226 0.450 . 1 . . . A 33 ASN ND2 . 11496 1 391 . 1 1 34 34 LYS H H 1 8.401 0.040 . 1 . . . A 34 LYS H . 11496 1 392 . 1 1 34 34 LYS HA H 1 4.014 0.040 . 1 . . . A 34 LYS HA . 11496 1 393 . 1 1 34 34 LYS HB2 H 1 1.739 0.040 . 2 . . . A 34 LYS HB2 . 11496 1 394 . 1 1 34 34 LYS HB3 H 1 1.739 0.040 . 2 . . . A 34 LYS HB3 . 11496 1 395 . 1 1 34 34 LYS HG2 H 1 1.359 0.040 . 2 . . . A 34 LYS HG2 . 11496 1 396 . 1 1 34 34 LYS HG3 H 1 1.311 0.040 . 2 . . . A 34 LYS HG3 . 11496 1 397 . 1 1 34 34 LYS HE2 H 1 2.902 0.040 . 2 . . . A 34 LYS HE2 . 11496 1 398 . 1 1 34 34 LYS HE3 H 1 2.902 0.040 . 2 . . . A 34 LYS HE3 . 11496 1 399 . 1 1 34 34 LYS C C 13 176.743 0.450 . 1 . . . A 34 LYS C . 11496 1 400 . 1 1 34 34 LYS CA C 13 58.591 0.450 . 1 . . . A 34 LYS CA . 11496 1 401 . 1 1 34 34 LYS CB C 13 31.732 0.450 . 1 . . . A 34 LYS CB . 11496 1 402 . 1 1 34 34 LYS CG C 13 24.302 0.450 . 1 . . . A 34 LYS CG . 11496 1 403 . 1 1 34 34 LYS N N 15 118.278 0.450 . 1 . . . A 34 LYS N . 11496 1 404 . 1 1 35 35 ASN H H 1 7.974 0.040 . 1 . . . A 35 ASN H . 11496 1 405 . 1 1 35 35 ASN HA H 1 4.804 0.040 . 1 . . . A 35 ASN HA . 11496 1 406 . 1 1 35 35 ASN HB2 H 1 2.982 0.040 . 2 . . . A 35 ASN HB2 . 11496 1 407 . 1 1 35 35 ASN HB3 H 1 2.594 0.040 . 2 . . . A 35 ASN HB3 . 11496 1 408 . 1 1 35 35 ASN HD21 H 1 7.501 0.040 . 2 . . . A 35 ASN HD21 . 11496 1 409 . 1 1 35 35 ASN HD22 H 1 6.872 0.040 . 2 . . . A 35 ASN HD22 . 11496 1 410 . 1 1 35 35 ASN C C 13 175.207 0.450 . 1 . . . A 35 ASN C . 11496 1 411 . 1 1 35 35 ASN CA C 13 52.857 0.450 . 1 . . . A 35 ASN CA . 11496 1 412 . 1 1 35 35 ASN CB C 13 39.107 0.450 . 1 . . . A 35 ASN CB . 11496 1 413 . 1 1 35 35 ASN CG C 13 177.056 0.450 . 1 . . . A 35 ASN CG . 11496 1 414 . 1 1 35 35 ASN N N 15 116.416 0.450 . 1 . . . A 35 ASN N . 11496 1 415 . 1 1 35 35 ASN ND2 N 15 112.135 0.450 . 1 . . . A 35 ASN ND2 . 11496 1 416 . 1 1 36 36 GLY H H 1 8.186 0.040 . 1 . . . A 36 GLY H . 11496 1 417 . 1 1 36 36 GLY HA2 H 1 4.087 0.040 . 2 . . . A 36 GLY HA2 . 11496 1 418 . 1 1 36 36 GLY HA3 H 1 3.461 0.040 . 2 . . . A 36 GLY HA3 . 11496 1 419 . 1 1 36 36 GLY C C 13 173.672 0.450 . 1 . . . A 36 GLY C . 11496 1 420 . 1 1 36 36 GLY CA C 13 45.652 0.450 . 1 . . . A 36 GLY CA . 11496 1 421 . 1 1 36 36 GLY N N 15 107.861 0.450 . 1 . . . A 36 GLY N . 11496 1 422 . 1 1 37 37 ILE H H 1 7.504 0.040 . 1 . . . A 37 ILE H . 11496 1 423 . 1 1 37 37 ILE HA H 1 4.125 0.040 . 1 . . . A 37 ILE HA . 11496 1 424 . 1 1 37 37 ILE HB H 1 1.874 0.040 . 1 . . . A 37 ILE HB . 11496 1 425 . 1 1 37 37 ILE HG12 H 1 1.201 0.040 . 2 . . . A 37 ILE HG12 . 11496 1 426 . 1 1 37 37 ILE HG13 H 1 1.378 0.040 . 2 . . . A 37 ILE HG13 . 11496 1 427 . 1 1 37 37 ILE HG21 H 1 1.139 0.040 . 1 . . . A 37 ILE HG21 . 11496 1 428 . 1 1 37 37 ILE HG22 H 1 1.139 0.040 . 1 . . . A 37 ILE HG22 . 11496 1 429 . 1 1 37 37 ILE HG23 H 1 1.139 0.040 . 1 . . . A 37 ILE HG23 . 11496 1 430 . 1 1 37 37 ILE HD11 H 1 0.829 0.040 . 1 . . . A 37 ILE HD11 . 11496 1 431 . 1 1 37 37 ILE HD12 H 1 0.829 0.040 . 1 . . . A 37 ILE HD12 . 11496 1 432 . 1 1 37 37 ILE HD13 H 1 0.829 0.040 . 1 . . . A 37 ILE HD13 . 11496 1 433 . 1 1 37 37 ILE C C 13 175.427 0.450 . 1 . . . A 37 ILE C . 11496 1 434 . 1 1 37 37 ILE CA C 13 59.170 0.450 . 1 . . . A 37 ILE CA . 11496 1 435 . 1 1 37 37 ILE CB C 13 38.706 0.450 . 1 . . . A 37 ILE CB . 11496 1 436 . 1 1 37 37 ILE CG1 C 13 27.871 0.450 . 1 . . . A 37 ILE CG1 . 11496 1 437 . 1 1 37 37 ILE CG2 C 13 17.383 0.450 . 1 . . . A 37 ILE CG2 . 11496 1 438 . 1 1 37 37 ILE CD1 C 13 11.721 0.450 . 1 . . . A 37 ILE CD1 . 11496 1 439 . 1 1 37 37 ILE N N 15 122.725 0.450 . 1 . . . A 37 ILE N . 11496 1 440 . 1 1 38 38 ASN H H 1 8.756 0.040 . 1 . . . A 38 ASN H . 11496 1 441 . 1 1 38 38 ASN HA H 1 4.972 0.040 . 1 . . . A 38 ASN HA . 11496 1 442 . 1 1 38 38 ASN HB2 H 1 2.919 0.040 . 2 . . . A 38 ASN HB2 . 11496 1 443 . 1 1 38 38 ASN HB3 H 1 2.334 0.040 . 2 . . . A 38 ASN HB3 . 11496 1 444 . 1 1 38 38 ASN HD21 H 1 7.583 0.040 . 2 . . . A 38 ASN HD21 . 11496 1 445 . 1 1 38 38 ASN HD22 H 1 6.857 0.040 . 2 . . . A 38 ASN HD22 . 11496 1 446 . 1 1 38 38 ASN C C 13 173.880 0.450 . 1 . . . A 38 ASN C . 11496 1 447 . 1 1 38 38 ASN CA C 13 53.734 0.450 . 1 . . . A 38 ASN CA . 11496 1 448 . 1 1 38 38 ASN CB C 13 39.676 0.450 . 1 . . . A 38 ASN CB . 11496 1 449 . 1 1 38 38 ASN CG C 13 176.613 0.450 . 1 . . . A 38 ASN CG . 11496 1 450 . 1 1 38 38 ASN N N 15 125.471 0.450 . 1 . . . A 38 ASN N . 11496 1 451 . 1 1 38 38 ASN ND2 N 15 113.344 0.450 . 1 . . . A 38 ASN ND2 . 11496 1 452 . 1 1 39 39 GLU H H 1 8.850 0.040 . 1 . . . A 39 GLU H . 11496 1 453 . 1 1 39 39 GLU HA H 1 5.127 0.040 . 1 . . . A 39 GLU HA . 11496 1 454 . 1 1 39 39 GLU HB2 H 1 1.809 0.040 . 2 . . . A 39 GLU HB2 . 11496 1 455 . 1 1 39 39 GLU HB3 H 1 1.728 0.040 . 2 . . . A 39 GLU HB3 . 11496 1 456 . 1 1 39 39 GLU HG2 H 1 2.163 0.040 . 2 . . . A 39 GLU HG2 . 11496 1 457 . 1 1 39 39 GLU HG3 H 1 1.894 0.040 . 2 . . . A 39 GLU HG3 . 11496 1 458 . 1 1 39 39 GLU C C 13 174.549 0.450 . 1 . . . A 39 GLU C . 11496 1 459 . 1 1 39 39 GLU CA C 13 53.669 0.450 . 1 . . . A 39 GLU CA . 11496 1 460 . 1 1 39 39 GLU CB C 13 34.538 0.450 . 1 . . . A 39 GLU CB . 11496 1 461 . 1 1 39 39 GLU CG C 13 36.621 0.450 . 1 . . . A 39 GLU CG . 11496 1 462 . 1 1 39 39 GLU N N 15 120.253 0.450 . 1 . . . A 39 GLU N . 11496 1 463 . 1 1 40 40 TYR H H 1 9.199 0.040 . 1 . . . A 40 TYR H . 11496 1 464 . 1 1 40 40 TYR HA H 1 4.882 0.040 . 1 . . . A 40 TYR HA . 11496 1 465 . 1 1 40 40 TYR HB2 H 1 2.554 0.040 . 2 . . . A 40 TYR HB2 . 11496 1 466 . 1 1 40 40 TYR HB3 H 1 2.361 0.040 . 2 . . . A 40 TYR HB3 . 11496 1 467 . 1 1 40 40 TYR HD1 H 1 6.714 0.040 . 1 . . . A 40 TYR HD1 . 11496 1 468 . 1 1 40 40 TYR HD2 H 1 6.714 0.040 . 1 . . . A 40 TYR HD2 . 11496 1 469 . 1 1 40 40 TYR HE1 H 1 6.680 0.040 . 1 . . . A 40 TYR HE1 . 11496 1 470 . 1 1 40 40 TYR HE2 H 1 6.680 0.040 . 1 . . . A 40 TYR HE2 . 11496 1 471 . 1 1 40 40 TYR C C 13 173.271 0.450 . 1 . . . A 40 TYR C . 11496 1 472 . 1 1 40 40 TYR CA C 13 57.251 0.450 . 1 . . . A 40 TYR CA . 11496 1 473 . 1 1 40 40 TYR CB C 13 42.373 0.450 . 1 . . . A 40 TYR CB . 11496 1 474 . 1 1 40 40 TYR CD1 C 13 133.376 0.450 . 1 . . . A 40 TYR CD1 . 11496 1 475 . 1 1 40 40 TYR CD2 C 13 133.376 0.450 . 1 . . . A 40 TYR CD2 . 11496 1 476 . 1 1 40 40 TYR CE1 C 13 117.855 0.450 . 1 . . . A 40 TYR CE1 . 11496 1 477 . 1 1 40 40 TYR CE2 C 13 117.855 0.450 . 1 . . . A 40 TYR CE2 . 11496 1 478 . 1 1 40 40 TYR N N 15 117.610 0.450 . 1 . . . A 40 TYR N . 11496 1 479 . 1 1 41 41 TYR H H 1 7.990 0.040 . 1 . . . A 41 TYR H . 11496 1 480 . 1 1 41 41 TYR HA H 1 4.089 0.040 . 1 . . . A 41 TYR HA . 11496 1 481 . 1 1 41 41 TYR HB2 H 1 1.829 0.040 . 2 . . . A 41 TYR HB2 . 11496 1 482 . 1 1 41 41 TYR HB3 H 1 -0.027 0.040 . 2 . . . A 41 TYR HB3 . 11496 1 483 . 1 1 41 41 TYR HD1 H 1 5.653 0.040 . 1 . . . A 41 TYR HD1 . 11496 1 484 . 1 1 41 41 TYR HD2 H 1 5.653 0.040 . 1 . . . A 41 TYR HD2 . 11496 1 485 . 1 1 41 41 TYR HE1 H 1 6.361 0.040 . 1 . . . A 41 TYR HE1 . 11496 1 486 . 1 1 41 41 TYR HE2 H 1 6.361 0.040 . 1 . . . A 41 TYR HE2 . 11496 1 487 . 1 1 41 41 TYR C C 13 173.052 0.450 . 1 . . . A 41 TYR C . 11496 1 488 . 1 1 41 41 TYR CA C 13 54.869 0.450 . 1 . . . A 41 TYR CA . 11496 1 489 . 1 1 41 41 TYR CB C 13 36.892 0.450 . 1 . . . A 41 TYR CB . 11496 1 490 . 1 1 41 41 TYR CD1 C 13 132.385 0.450 . 1 . . . A 41 TYR CD1 . 11496 1 491 . 1 1 41 41 TYR CD2 C 13 132.385 0.450 . 1 . . . A 41 TYR CD2 . 11496 1 492 . 1 1 41 41 TYR CE1 C 13 117.399 0.450 . 1 . . . A 41 TYR CE1 . 11496 1 493 . 1 1 41 41 TYR CE2 C 13 117.399 0.450 . 1 . . . A 41 TYR CE2 . 11496 1 494 . 1 1 41 41 TYR N N 15 126.940 0.450 . 1 . . . A 41 TYR N . 11496 1 495 . 1 1 42 42 ILE H H 1 8.803 0.040 . 1 . . . A 42 ILE H . 11496 1 496 . 1 1 42 42 ILE HA H 1 3.487 0.040 . 1 . . . A 42 ILE HA . 11496 1 497 . 1 1 42 42 ILE HB H 1 1.171 0.040 . 1 . . . A 42 ILE HB . 11496 1 498 . 1 1 42 42 ILE HG12 H 1 1.261 0.040 . 2 . . . A 42 ILE HG12 . 11496 1 499 . 1 1 42 42 ILE HG13 H 1 0.580 0.040 . 2 . . . A 42 ILE HG13 . 11496 1 500 . 1 1 42 42 ILE HG21 H 1 -1.259 0.040 . 1 . . . A 42 ILE HG21 . 11496 1 501 . 1 1 42 42 ILE HG22 H 1 -1.259 0.040 . 1 . . . A 42 ILE HG22 . 11496 1 502 . 1 1 42 42 ILE HG23 H 1 -1.259 0.040 . 1 . . . A 42 ILE HG23 . 11496 1 503 . 1 1 42 42 ILE HD11 H 1 0.118 0.040 . 1 . . . A 42 ILE HD11 . 11496 1 504 . 1 1 42 42 ILE HD12 H 1 0.118 0.040 . 1 . . . A 42 ILE HD12 . 11496 1 505 . 1 1 42 42 ILE HD13 H 1 0.118 0.040 . 1 . . . A 42 ILE HD13 . 11496 1 506 . 1 1 42 42 ILE C C 13 174.001 0.450 . 1 . . . A 42 ILE C . 11496 1 507 . 1 1 42 42 ILE CA C 13 58.932 0.450 . 1 . . . A 42 ILE CA . 11496 1 508 . 1 1 42 42 ILE CB C 13 38.518 0.450 . 1 . . . A 42 ILE CB . 11496 1 509 . 1 1 42 42 ILE CG1 C 13 27.016 0.450 . 1 . . . A 42 ILE CG1 . 11496 1 510 . 1 1 42 42 ILE CG2 C 13 16.011 0.450 . 1 . . . A 42 ILE CG2 . 11496 1 511 . 1 1 42 42 ILE CD1 C 13 11.880 0.450 . 1 . . . A 42 ILE CD1 . 11496 1 512 . 1 1 42 42 ILE N N 15 129.482 0.450 . 1 . . . A 42 ILE N . 11496 1 513 . 1 1 43 43 LYS H H 1 7.291 0.040 . 1 . . . A 43 LYS H . 11496 1 514 . 1 1 43 43 LYS HA H 1 4.108 0.040 . 1 . . . A 43 LYS HA . 11496 1 515 . 1 1 43 43 LYS HB2 H 1 1.380 0.040 . 2 . . . A 43 LYS HB2 . 11496 1 516 . 1 1 43 43 LYS HB3 H 1 1.042 0.040 . 2 . . . A 43 LYS HB3 . 11496 1 517 . 1 1 43 43 LYS C C 13 174.806 0.450 . 1 . . . A 43 LYS C . 11496 1 518 . 1 1 43 43 LYS CA C 13 52.864 0.450 . 1 . . . A 43 LYS CA . 11496 1 519 . 1 1 43 43 LYS CB C 13 33.533 0.450 . 1 . . . A 43 LYS CB . 11496 1 520 . 1 1 43 43 LYS N N 15 122.953 0.450 . 1 . . . A 43 LYS N . 11496 1 521 . 1 1 44 44 TRP H H 1 9.147 0.040 . 1 . . . A 44 TRP H . 11496 1 522 . 1 1 44 44 TRP HA H 1 4.500 0.040 . 1 . . . A 44 TRP HA . 11496 1 523 . 1 1 44 44 TRP HB2 H 1 3.120 0.040 . 2 . . . A 44 TRP HB2 . 11496 1 524 . 1 1 44 44 TRP HB3 H 1 2.728 0.040 . 2 . . . A 44 TRP HB3 . 11496 1 525 . 1 1 44 44 TRP HD1 H 1 6.973 0.040 . 1 . . . A 44 TRP HD1 . 11496 1 526 . 1 1 44 44 TRP HE1 H 1 10.475 0.040 . 1 . . . A 44 TRP HE1 . 11496 1 527 . 1 1 44 44 TRP HE3 H 1 7.345 0.040 . 1 . . . A 44 TRP HE3 . 11496 1 528 . 1 1 44 44 TRP HZ2 H 1 7.414 0.040 . 1 . . . A 44 TRP HZ2 . 11496 1 529 . 1 1 44 44 TRP HZ3 H 1 6.685 0.040 . 1 . . . A 44 TRP HZ3 . 11496 1 530 . 1 1 44 44 TRP HH2 H 1 6.939 0.040 . 1 . . . A 44 TRP HH2 . 11496 1 531 . 1 1 44 44 TRP C C 13 176.852 0.450 . 1 . . . A 44 TRP C . 11496 1 532 . 1 1 44 44 TRP CA C 13 55.727 0.450 . 1 . . . A 44 TRP CA . 11496 1 533 . 1 1 44 44 TRP CB C 13 29.673 0.450 . 1 . . . A 44 TRP CB . 11496 1 534 . 1 1 44 44 TRP CD1 C 13 125.696 0.450 . 1 . . . A 44 TRP CD1 . 11496 1 535 . 1 1 44 44 TRP CE2 C 13 139.296 0.450 . 1 . . . A 44 TRP CE2 . 11496 1 536 . 1 1 44 44 TRP CE3 C 13 121.439 0.450 . 1 . . . A 44 TRP CE3 . 11496 1 537 . 1 1 44 44 TRP CZ2 C 13 114.499 0.450 . 1 . . . A 44 TRP CZ2 . 11496 1 538 . 1 1 44 44 TRP CZ3 C 13 124.604 0.450 . 1 . . . A 44 TRP CZ3 . 11496 1 539 . 1 1 44 44 TRP CH2 C 13 123.819 0.450 . 1 . . . A 44 TRP CH2 . 11496 1 540 . 1 1 44 44 TRP N N 15 133.201 0.450 . 1 . . . A 44 TRP N . 11496 1 541 . 1 1 44 44 TRP NE1 N 15 130.769 0.450 . 1 . . . A 44 TRP NE1 . 11496 1 542 . 1 1 45 45 ALA H H 1 8.359 0.040 . 1 . . . A 45 ALA H . 11496 1 543 . 1 1 45 45 ALA HA H 1 4.314 0.040 . 1 . . . A 45 ALA HA . 11496 1 544 . 1 1 45 45 ALA HB1 H 1 1.213 0.040 . 1 . . . A 45 ALA HB1 . 11496 1 545 . 1 1 45 45 ALA HB2 H 1 1.213 0.040 . 1 . . . A 45 ALA HB2 . 11496 1 546 . 1 1 45 45 ALA HB3 H 1 1.213 0.040 . 1 . . . A 45 ALA HB3 . 11496 1 547 . 1 1 45 45 ALA C C 13 179.046 0.450 . 1 . . . A 45 ALA C . 11496 1 548 . 1 1 45 45 ALA CA C 13 53.311 0.450 . 1 . . . A 45 ALA CA . 11496 1 549 . 1 1 45 45 ALA CB C 13 17.661 0.450 . 1 . . . A 45 ALA CB . 11496 1 550 . 1 1 45 45 ALA N N 15 127.629 0.450 . 1 . . . A 45 ALA N . 11496 1 551 . 1 1 46 46 GLY H H 1 9.279 0.040 . 1 . . . A 46 GLY H . 11496 1 552 . 1 1 46 46 GLY HA2 H 1 3.951 0.040 . 2 . . . A 46 GLY HA2 . 11496 1 553 . 1 1 46 46 GLY HA3 H 1 3.535 0.040 . 2 . . . A 46 GLY HA3 . 11496 1 554 . 1 1 46 46 GLY C C 13 173.233 0.450 . 1 . . . A 46 GLY C . 11496 1 555 . 1 1 46 46 GLY CA C 13 45.326 0.450 . 1 . . . A 46 GLY CA . 11496 1 556 . 1 1 46 46 GLY N N 15 111.999 0.450 . 1 . . . A 46 GLY N . 11496 1 557 . 1 1 47 47 TYR H H 1 7.649 0.040 . 1 . . . A 47 TYR H . 11496 1 558 . 1 1 47 47 TYR HA H 1 4.550 0.040 . 1 . . . A 47 TYR HA . 11496 1 559 . 1 1 47 47 TYR HB2 H 1 3.135 0.040 . 2 . . . A 47 TYR HB2 . 11496 1 560 . 1 1 47 47 TYR HB3 H 1 2.662 0.040 . 2 . . . A 47 TYR HB3 . 11496 1 561 . 1 1 47 47 TYR HD1 H 1 7.135 0.040 . 1 . . . A 47 TYR HD1 . 11496 1 562 . 1 1 47 47 TYR HD2 H 1 7.135 0.040 . 1 . . . A 47 TYR HD2 . 11496 1 563 . 1 1 47 47 TYR HE1 H 1 6.832 0.040 . 1 . . . A 47 TYR HE1 . 11496 1 564 . 1 1 47 47 TYR HE2 H 1 6.832 0.040 . 1 . . . A 47 TYR HE2 . 11496 1 565 . 1 1 47 47 TYR C C 13 174.368 0.450 . 1 . . . A 47 TYR C . 11496 1 566 . 1 1 47 47 TYR CA C 13 57.109 0.450 . 1 . . . A 47 TYR CA . 11496 1 567 . 1 1 47 47 TYR CB C 13 40.468 0.450 . 1 . . . A 47 TYR CB . 11496 1 568 . 1 1 47 47 TYR CD1 C 13 134.554 0.450 . 1 . . . A 47 TYR CD1 . 11496 1 569 . 1 1 47 47 TYR CD2 C 13 134.554 0.450 . 1 . . . A 47 TYR CD2 . 11496 1 570 . 1 1 47 47 TYR CE1 C 13 118.599 0.450 . 1 . . . A 47 TYR CE1 . 11496 1 571 . 1 1 47 47 TYR CE2 C 13 118.599 0.450 . 1 . . . A 47 TYR CE2 . 11496 1 572 . 1 1 47 47 TYR N N 15 118.426 0.450 . 1 . . . A 47 TYR N . 11496 1 573 . 1 1 48 48 ASP H H 1 9.010 0.040 . 1 . . . A 48 ASP H . 11496 1 574 . 1 1 48 48 ASP HA H 1 4.555 0.040 . 1 . . . A 48 ASP HA . 11496 1 575 . 1 1 48 48 ASP HB2 H 1 2.416 0.040 . 2 . . . A 48 ASP HB2 . 11496 1 576 . 1 1 48 48 ASP HB3 H 1 2.320 0.040 . 2 . . . A 48 ASP HB3 . 11496 1 577 . 1 1 48 48 ASP C C 13 177.000 0.450 . 1 . . . A 48 ASP C . 11496 1 578 . 1 1 48 48 ASP CA C 13 53.453 0.450 . 1 . . . A 48 ASP CA . 11496 1 579 . 1 1 48 48 ASP CB C 13 42.508 0.450 . 1 . . . A 48 ASP CB . 11496 1 580 . 1 1 48 48 ASP N N 15 121.529 0.450 . 1 . . . A 48 ASP N . 11496 1 581 . 1 1 49 49 TRP H H 1 8.453 0.040 . 1 . . . A 49 TRP H . 11496 1 582 . 1 1 49 49 TRP HA H 1 4.123 0.040 . 1 . . . A 49 TRP HA . 11496 1 583 . 1 1 49 49 TRP HB2 H 1 3.079 0.040 . 2 . . . A 49 TRP HB2 . 11496 1 584 . 1 1 49 49 TRP HB3 H 1 3.079 0.040 . 2 . . . A 49 TRP HB3 . 11496 1 585 . 1 1 49 49 TRP HD1 H 1 7.301 0.040 . 1 . . . A 49 TRP HD1 . 11496 1 586 . 1 1 49 49 TRP HE1 H 1 10.300 0.040 . 1 . . . A 49 TRP HE1 . 11496 1 587 . 1 1 49 49 TRP HE3 H 1 7.402 0.040 . 1 . . . A 49 TRP HE3 . 11496 1 588 . 1 1 49 49 TRP HZ2 H 1 7.506 0.040 . 1 . . . A 49 TRP HZ2 . 11496 1 589 . 1 1 49 49 TRP HZ3 H 1 7.092 0.040 . 1 . . . A 49 TRP HZ3 . 11496 1 590 . 1 1 49 49 TRP HH2 H 1 7.220 0.040 . 1 . . . A 49 TRP HH2 . 11496 1 591 . 1 1 49 49 TRP C C 13 177.767 0.450 . 1 . . . A 49 TRP C . 11496 1 592 . 1 1 49 49 TRP CA C 13 58.848 0.450 . 1 . . . A 49 TRP CA . 11496 1 593 . 1 1 49 49 TRP CB C 13 28.418 0.450 . 1 . . . A 49 TRP CB . 11496 1 594 . 1 1 49 49 TRP CD1 C 13 127.600 0.450 . 1 . . . A 49 TRP CD1 . 11496 1 595 . 1 1 49 49 TRP CE2 C 13 138.710 0.450 . 1 . . . A 49 TRP CE2 . 11496 1 596 . 1 1 49 49 TRP CE3 C 13 120.666 0.450 . 1 . . . A 49 TRP CE3 . 11496 1 597 . 1 1 49 49 TRP CZ2 C 13 115.402 0.450 . 1 . . . A 49 TRP CZ2 . 11496 1 598 . 1 1 49 49 TRP CZ3 C 13 122.600 0.450 . 1 . . . A 49 TRP CZ3 . 11496 1 599 . 1 1 49 49 TRP CH2 C 13 125.431 0.450 . 1 . . . A 49 TRP CH2 . 11496 1 600 . 1 1 49 49 TRP N N 15 119.564 0.450 . 1 . . . A 49 TRP N . 11496 1 601 . 1 1 49 49 TRP NE1 N 15 130.172 0.450 . 1 . . . A 49 TRP NE1 . 11496 1 602 . 1 1 50 50 TYR H H 1 6.628 0.040 . 1 . . . A 50 TYR H . 11496 1 603 . 1 1 50 50 TYR HA H 1 4.114 0.040 . 1 . . . A 50 TYR HA . 11496 1 604 . 1 1 50 50 TYR HB2 H 1 2.862 0.040 . 2 . . . A 50 TYR HB2 . 11496 1 605 . 1 1 50 50 TYR HB3 H 1 2.164 0.040 . 2 . . . A 50 TYR HB3 . 11496 1 606 . 1 1 50 50 TYR HD1 H 1 6.732 0.040 . 1 . . . A 50 TYR HD1 . 11496 1 607 . 1 1 50 50 TYR HD2 H 1 6.732 0.040 . 1 . . . A 50 TYR HD2 . 11496 1 608 . 1 1 50 50 TYR HE1 H 1 6.805 0.040 . 1 . . . A 50 TYR HE1 . 11496 1 609 . 1 1 50 50 TYR HE2 H 1 6.805 0.040 . 1 . . . A 50 TYR HE2 . 11496 1 610 . 1 1 50 50 TYR C C 13 176.122 0.450 . 1 . . . A 50 TYR C . 11496 1 611 . 1 1 50 50 TYR CA C 13 58.076 0.450 . 1 . . . A 50 TYR CA . 11496 1 612 . 1 1 50 50 TYR CB C 13 36.389 0.450 . 1 . . . A 50 TYR CB . 11496 1 613 . 1 1 50 50 TYR CD1 C 13 133.873 0.450 . 1 . . . A 50 TYR CD1 . 11496 1 614 . 1 1 50 50 TYR CD2 C 13 133.873 0.450 . 1 . . . A 50 TYR CD2 . 11496 1 615 . 1 1 50 50 TYR CE1 C 13 119.431 0.450 . 1 . . . A 50 TYR CE1 . 11496 1 616 . 1 1 50 50 TYR CE2 C 13 119.431 0.450 . 1 . . . A 50 TYR CE2 . 11496 1 617 . 1 1 50 50 TYR N N 15 116.618 0.450 . 1 . . . A 50 TYR N . 11496 1 618 . 1 1 51 51 ASP H H 1 7.809 0.040 . 1 . . . A 51 ASP H . 11496 1 619 . 1 1 51 51 ASP HA H 1 4.777 0.040 . 1 . . . A 51 ASP HA . 11496 1 620 . 1 1 51 51 ASP HB2 H 1 2.634 0.040 . 2 . . . A 51 ASP HB2 . 11496 1 621 . 1 1 51 51 ASP HB3 H 1 2.525 0.040 . 2 . . . A 51 ASP HB3 . 11496 1 622 . 1 1 51 51 ASP C C 13 174.477 0.450 . 1 . . . A 51 ASP C . 11496 1 623 . 1 1 51 51 ASP CA C 13 54.252 0.450 . 1 . . . A 51 ASP CA . 11496 1 624 . 1 1 51 51 ASP CB C 13 42.599 0.450 . 1 . . . A 51 ASP CB . 11496 1 625 . 1 1 51 51 ASP N N 15 120.980 0.450 . 1 . . . A 51 ASP N . 11496 1 626 . 1 1 52 52 ASN H H 1 7.116 0.040 . 1 . . . A 52 ASN H . 11496 1 627 . 1 1 52 52 ASN HA H 1 4.664 0.040 . 1 . . . A 52 ASN HA . 11496 1 628 . 1 1 52 52 ASN HB2 H 1 2.281 0.040 . 2 . . . A 52 ASN HB2 . 11496 1 629 . 1 1 52 52 ASN HB3 H 1 1.380 0.040 . 2 . . . A 52 ASN HB3 . 11496 1 630 . 1 1 52 52 ASN C C 13 176.633 0.450 . 1 . . . A 52 ASN C . 11496 1 631 . 1 1 52 52 ASN CA C 13 53.939 0.450 . 1 . . . A 52 ASN CA . 11496 1 632 . 1 1 52 52 ASN CB C 13 36.878 0.450 . 1 . . . A 52 ASN CB . 11496 1 633 . 1 1 52 52 ASN N N 15 118.500 0.450 . 1 . . . A 52 ASN N . 11496 1 634 . 1 1 53 53 THR H H 1 7.475 0.040 . 1 . . . A 53 THR H . 11496 1 635 . 1 1 53 53 THR HA H 1 4.945 0.040 . 1 . . . A 53 THR HA . 11496 1 636 . 1 1 53 53 THR HB H 1 4.367 0.040 . 1 . . . A 53 THR HB . 11496 1 637 . 1 1 53 53 THR HG21 H 1 1.208 0.040 . 1 . . . A 53 THR HG21 . 11496 1 638 . 1 1 53 53 THR HG22 H 1 1.208 0.040 . 1 . . . A 53 THR HG22 . 11496 1 639 . 1 1 53 53 THR HG23 H 1 1.208 0.040 . 1 . . . A 53 THR HG23 . 11496 1 640 . 1 1 53 53 THR C C 13 172.832 0.450 . 1 . . . A 53 THR C . 11496 1 641 . 1 1 53 53 THR CA C 13 59.605 0.450 . 1 . . . A 53 THR CA . 11496 1 642 . 1 1 53 53 THR CB C 13 71.932 0.450 . 1 . . . A 53 THR CB . 11496 1 643 . 1 1 53 53 THR CG2 C 13 23.844 0.450 . 1 . . . A 53 THR CG2 . 11496 1 644 . 1 1 53 53 THR N N 15 109.187 0.450 . 1 . . . A 53 THR N . 11496 1 645 . 1 1 54 54 TRP H H 1 8.539 0.040 . 1 . . . A 54 TRP H . 11496 1 646 . 1 1 54 54 TRP HA H 1 5.231 0.040 . 1 . . . A 54 TRP HA . 11496 1 647 . 1 1 54 54 TRP HB2 H 1 2.969 0.040 . 2 . . . A 54 TRP HB2 . 11496 1 648 . 1 1 54 54 TRP HB3 H 1 2.734 0.040 . 2 . . . A 54 TRP HB3 . 11496 1 649 . 1 1 54 54 TRP HD1 H 1 7.185 0.040 . 1 . . . A 54 TRP HD1 . 11496 1 650 . 1 1 54 54 TRP HE1 H 1 9.464 0.040 . 1 . . . A 54 TRP HE1 . 11496 1 651 . 1 1 54 54 TRP HE3 H 1 6.976 0.040 . 1 . . . A 54 TRP HE3 . 11496 1 652 . 1 1 54 54 TRP HZ2 H 1 6.670 0.040 . 1 . . . A 54 TRP HZ2 . 11496 1 653 . 1 1 54 54 TRP HZ3 H 1 6.447 0.040 . 1 . . . A 54 TRP HZ3 . 11496 1 654 . 1 1 54 54 TRP HH2 H 1 6.563 0.040 . 1 . . . A 54 TRP HH2 . 11496 1 655 . 1 1 54 54 TRP C C 13 177.291 0.450 . 1 . . . A 54 TRP C . 11496 1 656 . 1 1 54 54 TRP CA C 13 56.322 0.450 . 1 . . . A 54 TRP CA . 11496 1 657 . 1 1 54 54 TRP CB C 13 30.264 0.450 . 1 . . . A 54 TRP CB . 11496 1 658 . 1 1 54 54 TRP CD1 C 13 127.493 0.450 . 1 . . . A 54 TRP CD1 . 11496 1 659 . 1 1 54 54 TRP CE2 C 13 138.929 0.450 . 1 . . . A 54 TRP CE2 . 11496 1 660 . 1 1 54 54 TRP CE3 C 13 120.259 0.450 . 1 . . . A 54 TRP CE3 . 11496 1 661 . 1 1 54 54 TRP CZ2 C 13 114.582 0.450 . 1 . . . A 54 TRP CZ2 . 11496 1 662 . 1 1 54 54 TRP CZ3 C 13 121.444 0.450 . 1 . . . A 54 TRP CZ3 . 11496 1 663 . 1 1 54 54 TRP CH2 C 13 123.790 0.450 . 1 . . . A 54 TRP CH2 . 11496 1 664 . 1 1 54 54 TRP N N 15 120.394 0.450 . 1 . . . A 54 TRP N . 11496 1 665 . 1 1 54 54 TRP NE1 N 15 130.458 0.450 . 1 . . . A 54 TRP NE1 . 11496 1 666 . 1 1 55 55 GLU H H 1 9.573 0.040 . 1 . . . A 55 GLU H . 11496 1 667 . 1 1 55 55 GLU CA C 13 51.421 0.450 . 1 . . . A 55 GLU CA . 11496 1 668 . 1 1 55 55 GLU CB C 13 31.717 0.450 . 1 . . . A 55 GLU CB . 11496 1 669 . 1 1 55 55 GLU N N 15 121.242 0.450 . 1 . . . A 55 GLU N . 11496 1 670 . 1 1 56 56 PRO HA H 1 5.099 0.040 . 1 . . . A 56 PRO HA . 11496 1 671 . 1 1 56 56 PRO HB2 H 1 2.369 0.040 . 2 . . . A 56 PRO HB2 . 11496 1 672 . 1 1 56 56 PRO HB3 H 1 2.369 0.040 . 2 . . . A 56 PRO HB3 . 11496 1 673 . 1 1 56 56 PRO HG2 H 1 1.882 0.040 . 2 . . . A 56 PRO HG2 . 11496 1 674 . 1 1 56 56 PRO HG3 H 1 1.778 0.040 . 2 . . . A 56 PRO HG3 . 11496 1 675 . 1 1 56 56 PRO HD2 H 1 3.555 0.040 . 2 . . . A 56 PRO HD2 . 11496 1 676 . 1 1 56 56 PRO HD3 H 1 3.417 0.040 . 2 . . . A 56 PRO HD3 . 11496 1 677 . 1 1 56 56 PRO C C 13 178.316 0.450 . 1 . . . A 56 PRO C . 11496 1 678 . 1 1 56 56 PRO CA C 13 61.705 0.450 . 1 . . . A 56 PRO CA . 11496 1 679 . 1 1 56 56 PRO CB C 13 32.176 0.450 . 1 . . . A 56 PRO CB . 11496 1 680 . 1 1 56 56 PRO CG C 13 24.612 0.450 . 1 . . . A 56 PRO CG . 11496 1 681 . 1 1 56 56 PRO CD C 13 50.207 0.450 . 1 . . . A 56 PRO CD . 11496 1 682 . 1 1 57 57 GLU H H 1 8.576 0.040 . 1 . . . A 57 GLU H . 11496 1 683 . 1 1 57 57 GLU HA H 1 3.826 0.040 . 1 . . . A 57 GLU HA . 11496 1 684 . 1 1 57 57 GLU HB2 H 1 2.671 0.040 . 2 . . . A 57 GLU HB2 . 11496 1 685 . 1 1 57 57 GLU HB3 H 1 2.261 0.040 . 2 . . . A 57 GLU HB3 . 11496 1 686 . 1 1 57 57 GLU HG2 H 1 2.399 0.040 . 2 . . . A 57 GLU HG2 . 11496 1 687 . 1 1 57 57 GLU HG3 H 1 2.208 0.040 . 2 . . . A 57 GLU HG3 . 11496 1 688 . 1 1 57 57 GLU C C 13 178.546 0.450 . 1 . . . A 57 GLU C . 11496 1 689 . 1 1 57 57 GLU CA C 13 61.426 0.450 . 1 . . . A 57 GLU CA . 11496 1 690 . 1 1 57 57 GLU CB C 13 31.283 0.450 . 1 . . . A 57 GLU CB . 11496 1 691 . 1 1 57 57 GLU CG C 13 36.494 0.450 . 1 . . . A 57 GLU CG . 11496 1 692 . 1 1 57 57 GLU N N 15 120.503 0.450 . 1 . . . A 57 GLU N . 11496 1 693 . 1 1 58 58 GLN H H 1 9.394 0.040 . 1 . . . A 58 GLN H . 11496 1 694 . 1 1 58 58 GLN HA H 1 4.253 0.040 . 1 . . . A 58 GLN HA . 11496 1 695 . 1 1 58 58 GLN HB2 H 1 2.195 0.040 . 2 . . . A 58 GLN HB2 . 11496 1 696 . 1 1 58 58 GLN HB3 H 1 2.195 0.040 . 2 . . . A 58 GLN HB3 . 11496 1 697 . 1 1 58 58 GLN HG2 H 1 2.596 0.040 . 2 . . . A 58 GLN HG2 . 11496 1 698 . 1 1 58 58 GLN HG3 H 1 2.439 0.040 . 2 . . . A 58 GLN HG3 . 11496 1 699 . 1 1 58 58 GLN HE21 H 1 7.658 0.040 . 2 . . . A 58 GLN HE21 . 11496 1 700 . 1 1 58 58 GLN HE22 H 1 6.759 0.040 . 2 . . . A 58 GLN HE22 . 11496 1 701 . 1 1 58 58 GLN C C 13 177.072 0.450 . 1 . . . A 58 GLN C . 11496 1 702 . 1 1 58 58 GLN CA C 13 58.468 0.450 . 1 . . . A 58 GLN CA . 11496 1 703 . 1 1 58 58 GLN CB C 13 27.031 0.450 . 1 . . . A 58 GLN CB . 11496 1 704 . 1 1 58 58 GLN CG C 13 32.807 0.450 . 1 . . . A 58 GLN CG . 11496 1 705 . 1 1 58 58 GLN CD C 13 180.723 0.450 . 1 . . . A 58 GLN CD . 11496 1 706 . 1 1 58 58 GLN N N 15 116.289 0.450 . 1 . . . A 58 GLN N . 11496 1 707 . 1 1 58 58 GLN NE2 N 15 111.799 0.450 . 1 . . . A 58 GLN NE2 . 11496 1 708 . 1 1 59 59 ASN H H 1 8.368 0.040 . 1 . . . A 59 ASN H . 11496 1 709 . 1 1 59 59 ASN HA H 1 4.847 0.040 . 1 . . . A 59 ASN HA . 11496 1 710 . 1 1 59 59 ASN HB2 H 1 3.874 0.040 . 2 . . . A 59 ASN HB2 . 11496 1 711 . 1 1 59 59 ASN HB3 H 1 3.274 0.040 . 2 . . . A 59 ASN HB3 . 11496 1 712 . 1 1 59 59 ASN HD21 H 1 7.754 0.040 . 2 . . . A 59 ASN HD21 . 11496 1 713 . 1 1 59 59 ASN HD22 H 1 7.133 0.040 . 2 . . . A 59 ASN HD22 . 11496 1 714 . 1 1 59 59 ASN C C 13 177.010 0.450 . 1 . . . A 59 ASN C . 11496 1 715 . 1 1 59 59 ASN CA C 13 53.988 0.450 . 1 . . . A 59 ASN CA . 11496 1 716 . 1 1 59 59 ASN CB C 13 36.865 0.450 . 1 . . . A 59 ASN CB . 11496 1 717 . 1 1 59 59 ASN CG C 13 176.387 0.450 . 1 . . . A 59 ASN CG . 11496 1 718 . 1 1 59 59 ASN N N 15 119.955 0.450 . 1 . . . A 59 ASN N . 11496 1 719 . 1 1 59 59 ASN ND2 N 15 111.424 0.450 . 1 . . . A 59 ASN ND2 . 11496 1 720 . 1 1 60 60 LEU H H 1 7.948 0.040 . 1 . . . A 60 LEU H . 11496 1 721 . 1 1 60 60 LEU HA H 1 4.343 0.040 . 1 . . . A 60 LEU HA . 11496 1 722 . 1 1 60 60 LEU HB2 H 1 1.868 0.040 . 2 . . . A 60 LEU HB2 . 11496 1 723 . 1 1 60 60 LEU HB3 H 1 1.730 0.040 . 2 . . . A 60 LEU HB3 . 11496 1 724 . 1 1 60 60 LEU HG H 1 1.396 0.040 . 1 . . . A 60 LEU HG . 11496 1 725 . 1 1 60 60 LEU HD11 H 1 0.614 0.040 . 2 . . . A 60 LEU HD11 . 11496 1 726 . 1 1 60 60 LEU HD12 H 1 0.614 0.040 . 2 . . . A 60 LEU HD12 . 11496 1 727 . 1 1 60 60 LEU HD13 H 1 0.614 0.040 . 2 . . . A 60 LEU HD13 . 11496 1 728 . 1 1 60 60 LEU HD21 H 1 0.452 0.040 . 2 . . . A 60 LEU HD21 . 11496 1 729 . 1 1 60 60 LEU HD22 H 1 0.452 0.040 . 2 . . . A 60 LEU HD22 . 11496 1 730 . 1 1 60 60 LEU HD23 H 1 0.452 0.040 . 2 . . . A 60 LEU HD23 . 11496 1 731 . 1 1 60 60 LEU C C 13 177.000 0.450 . 1 . . . A 60 LEU C . 11496 1 732 . 1 1 60 60 LEU CA C 13 55.299 0.450 . 1 . . . A 60 LEU CA . 11496 1 733 . 1 1 60 60 LEU CB C 13 39.147 0.450 . 1 . . . A 60 LEU CB . 11496 1 734 . 1 1 60 60 LEU CG C 13 29.146 0.450 . 1 . . . A 60 LEU CG . 11496 1 735 . 1 1 60 60 LEU CD1 C 13 26.046 0.450 . 1 . . . A 60 LEU CD1 . 11496 1 736 . 1 1 60 60 LEU CD2 C 13 24.918 0.450 . 1 . . . A 60 LEU CD2 . 11496 1 737 . 1 1 60 60 LEU N N 15 122.924 0.450 . 1 . . . A 60 LEU N . 11496 1 738 . 1 1 61 61 PHE H H 1 7.074 0.040 . 1 . . . A 61 PHE H . 11496 1 739 . 1 1 61 61 PHE HA H 1 4.380 0.040 . 1 . . . A 61 PHE HA . 11496 1 740 . 1 1 61 61 PHE HB2 H 1 3.300 0.040 . 2 . . . A 61 PHE HB2 . 11496 1 741 . 1 1 61 61 PHE HB3 H 1 3.135 0.040 . 2 . . . A 61 PHE HB3 . 11496 1 742 . 1 1 61 61 PHE HD1 H 1 7.295 0.040 . 1 . . . A 61 PHE HD1 . 11496 1 743 . 1 1 61 61 PHE HD2 H 1 7.295 0.040 . 1 . . . A 61 PHE HD2 . 11496 1 744 . 1 1 61 61 PHE HE1 H 1 7.321 0.040 . 1 . . . A 61 PHE HE1 . 11496 1 745 . 1 1 61 61 PHE HE2 H 1 7.321 0.040 . 1 . . . A 61 PHE HE2 . 11496 1 746 . 1 1 61 61 PHE C C 13 176.074 0.450 . 1 . . . A 61 PHE C . 11496 1 747 . 1 1 61 61 PHE CA C 13 59.796 0.450 . 1 . . . A 61 PHE CA . 11496 1 748 . 1 1 61 61 PHE CB C 13 38.347 0.450 . 1 . . . A 61 PHE CB . 11496 1 749 . 1 1 61 61 PHE CD1 C 13 132.614 0.450 . 1 . . . A 61 PHE CD1 . 11496 1 750 . 1 1 61 61 PHE CD2 C 13 132.614 0.450 . 1 . . . A 61 PHE CD2 . 11496 1 751 . 1 1 61 61 PHE CE1 C 13 131.830 0.450 . 1 . . . A 61 PHE CE1 . 11496 1 752 . 1 1 61 61 PHE CE2 C 13 131.830 0.450 . 1 . . . A 61 PHE CE2 . 11496 1 753 . 1 1 61 61 PHE N N 15 118.658 0.450 . 1 . . . A 61 PHE N . 11496 1 754 . 1 1 62 62 GLY H H 1 7.027 0.040 . 1 . . . A 62 GLY H . 11496 1 755 . 1 1 62 62 GLY HA2 H 1 4.231 0.040 . 2 . . . A 62 GLY HA2 . 11496 1 756 . 1 1 62 62 GLY HA3 H 1 3.702 0.040 . 2 . . . A 62 GLY HA3 . 11496 1 757 . 1 1 62 62 GLY C C 13 175.903 0.450 . 1 . . . A 62 GLY C . 11496 1 758 . 1 1 62 62 GLY CA C 13 45.721 0.450 . 1 . . . A 62 GLY CA . 11496 1 759 . 1 1 62 62 GLY N N 15 110.141 0.450 . 1 . . . A 62 GLY N . 11496 1 760 . 1 1 63 63 ALA H H 1 7.574 0.040 . 1 . . . A 63 ALA H . 11496 1 761 . 1 1 63 63 ALA HA H 1 5.010 0.040 . 1 . . . A 63 ALA HA . 11496 1 762 . 1 1 63 63 ALA HB1 H 1 0.943 0.040 . 1 . . . A 63 ALA HB1 . 11496 1 763 . 1 1 63 63 ALA HB2 H 1 0.943 0.040 . 1 . . . A 63 ALA HB2 . 11496 1 764 . 1 1 63 63 ALA HB3 H 1 0.943 0.040 . 1 . . . A 63 ALA HB3 . 11496 1 765 . 1 1 63 63 ALA C C 13 177.072 0.450 . 1 . . . A 63 ALA C . 11496 1 766 . 1 1 63 63 ALA CA C 13 49.588 0.450 . 1 . . . A 63 ALA CA . 11496 1 767 . 1 1 63 63 ALA CB C 13 17.105 0.450 . 1 . . . A 63 ALA CB . 11496 1 768 . 1 1 63 63 ALA N N 15 125.300 0.450 . 1 . . . A 63 ALA N . 11496 1 769 . 1 1 64 64 GLU H H 1 8.155 0.040 . 1 . . . A 64 GLU H . 11496 1 770 . 1 1 64 64 GLU HA H 1 3.897 0.040 . 1 . . . A 64 GLU HA . 11496 1 771 . 1 1 64 64 GLU HB2 H 1 2.099 0.040 . 2 . . . A 64 GLU HB2 . 11496 1 772 . 1 1 64 64 GLU HB3 H 1 2.016 0.040 . 2 . . . A 64 GLU HB3 . 11496 1 773 . 1 1 64 64 GLU HG2 H 1 2.340 0.040 . 2 . . . A 64 GLU HG2 . 11496 1 774 . 1 1 64 64 GLU HG3 H 1 2.233 0.040 . 2 . . . A 64 GLU HG3 . 11496 1 775 . 1 1 64 64 GLU C C 13 178.607 0.450 . 1 . . . A 64 GLU C . 11496 1 776 . 1 1 64 64 GLU CA C 13 60.177 0.450 . 1 . . . A 64 GLU CA . 11496 1 777 . 1 1 64 64 GLU CB C 13 29.563 0.450 . 1 . . . A 64 GLU CB . 11496 1 778 . 1 1 64 64 GLU CG C 13 36.259 0.450 . 1 . . . A 64 GLU CG . 11496 1 779 . 1 1 64 64 GLU N N 15 118.448 0.450 . 1 . . . A 64 GLU N . 11496 1 780 . 1 1 65 65 LYS H H 1 8.431 0.040 . 1 . . . A 65 LYS H . 11496 1 781 . 1 1 65 65 LYS HA H 1 3.996 0.040 . 1 . . . A 65 LYS HA . 11496 1 782 . 1 1 65 65 LYS HB2 H 1 1.707 0.040 . 2 . . . A 65 LYS HB2 . 11496 1 783 . 1 1 65 65 LYS HB3 H 1 1.707 0.040 . 2 . . . A 65 LYS HB3 . 11496 1 784 . 1 1 65 65 LYS HG2 H 1 1.313 0.040 . 2 . . . A 65 LYS HG2 . 11496 1 785 . 1 1 65 65 LYS HG3 H 1 1.313 0.040 . 2 . . . A 65 LYS HG3 . 11496 1 786 . 1 1 65 65 LYS HD2 H 1 1.576 0.040 . 2 . . . A 65 LYS HD2 . 11496 1 787 . 1 1 65 65 LYS HD3 H 1 1.576 0.040 . 2 . . . A 65 LYS HD3 . 11496 1 788 . 1 1 65 65 LYS C C 13 179.813 0.450 . 1 . . . A 65 LYS C . 11496 1 789 . 1 1 65 65 LYS CA C 13 59.914 0.450 . 1 . . . A 65 LYS CA . 11496 1 790 . 1 1 65 65 LYS CB C 13 31.997 0.450 . 1 . . . A 65 LYS CB . 11496 1 791 . 1 1 65 65 LYS CG C 13 24.085 0.450 . 1 . . . A 65 LYS CG . 11496 1 792 . 1 1 65 65 LYS CD C 13 28.700 0.450 . 1 . . . A 65 LYS CD . 11496 1 793 . 1 1 65 65 LYS N N 15 118.426 0.450 . 1 . . . A 65 LYS N . 11496 1 794 . 1 1 66 66 VAL H H 1 7.488 0.040 . 1 . . . A 66 VAL H . 11496 1 795 . 1 1 66 66 VAL HA H 1 3.767 0.040 . 1 . . . A 66 VAL HA . 11496 1 796 . 1 1 66 66 VAL HB H 1 1.949 0.040 . 1 . . . A 66 VAL HB . 11496 1 797 . 1 1 66 66 VAL HG11 H 1 0.949 0.040 . 2 . . . A 66 VAL HG11 . 11496 1 798 . 1 1 66 66 VAL HG12 H 1 0.949 0.040 . 2 . . . A 66 VAL HG12 . 11496 1 799 . 1 1 66 66 VAL HG13 H 1 0.949 0.040 . 2 . . . A 66 VAL HG13 . 11496 1 800 . 1 1 66 66 VAL HG21 H 1 0.880 0.040 . 2 . . . A 66 VAL HG21 . 11496 1 801 . 1 1 66 66 VAL HG22 H 1 0.880 0.040 . 2 . . . A 66 VAL HG22 . 11496 1 802 . 1 1 66 66 VAL HG23 H 1 0.880 0.040 . 2 . . . A 66 VAL HG23 . 11496 1 803 . 1 1 66 66 VAL C C 13 178.059 0.450 . 1 . . . A 66 VAL C . 11496 1 804 . 1 1 66 66 VAL CA C 13 65.173 0.450 . 1 . . . A 66 VAL CA . 11496 1 805 . 1 1 66 66 VAL CB C 13 31.779 0.450 . 1 . . . A 66 VAL CB . 11496 1 806 . 1 1 66 66 VAL CG1 C 13 22.101 0.450 . 1 . . . A 66 VAL CG1 . 11496 1 807 . 1 1 66 66 VAL CG2 C 13 21.298 0.450 . 1 . . . A 66 VAL CG2 . 11496 1 808 . 1 1 66 66 VAL N N 15 119.912 0.450 . 1 . . . A 66 VAL N . 11496 1 809 . 1 1 67 67 LEU H H 1 8.140 0.040 . 1 . . . A 67 LEU H . 11496 1 810 . 1 1 67 67 LEU HA H 1 3.936 0.040 . 1 . . . A 67 LEU HA . 11496 1 811 . 1 1 67 67 LEU HB2 H 1 1.716 0.040 . 2 . . . A 67 LEU HB2 . 11496 1 812 . 1 1 67 67 LEU HB3 H 1 1.180 0.040 . 2 . . . A 67 LEU HB3 . 11496 1 813 . 1 1 67 67 LEU HG H 1 1.323 0.040 . 1 . . . A 67 LEU HG . 11496 1 814 . 1 1 67 67 LEU HD11 H 1 0.631 0.040 . 2 . . . A 67 LEU HD11 . 11496 1 815 . 1 1 67 67 LEU HD12 H 1 0.631 0.040 . 2 . . . A 67 LEU HD12 . 11496 1 816 . 1 1 67 67 LEU HD13 H 1 0.631 0.040 . 2 . . . A 67 LEU HD13 . 11496 1 817 . 1 1 67 67 LEU HD21 H 1 0.425 0.040 . 2 . . . A 67 LEU HD21 . 11496 1 818 . 1 1 67 67 LEU HD22 H 1 0.425 0.040 . 2 . . . A 67 LEU HD22 . 11496 1 819 . 1 1 67 67 LEU HD23 H 1 0.425 0.040 . 2 . . . A 67 LEU HD23 . 11496 1 820 . 1 1 67 67 LEU C C 13 178.107 0.450 . 1 . . . A 67 LEU C . 11496 1 821 . 1 1 67 67 LEU CA C 13 57.996 0.450 . 1 . . . A 67 LEU CA . 11496 1 822 . 1 1 67 67 LEU CB C 13 42.042 0.450 . 1 . . . A 67 LEU CB . 11496 1 823 . 1 1 67 67 LEU CG C 13 26.918 0.450 . 1 . . . A 67 LEU CG . 11496 1 824 . 1 1 67 67 LEU CD1 C 13 25.081 0.450 . 1 . . . A 67 LEU CD1 . 11496 1 825 . 1 1 67 67 LEU CD2 C 13 23.039 0.450 . 1 . . . A 67 LEU CD2 . 11496 1 826 . 1 1 67 67 LEU N N 15 122.497 0.450 . 1 . . . A 67 LEU N . 11496 1 827 . 1 1 68 68 LYS H H 1 8.323 0.040 . 1 . . . A 68 LYS H . 11496 1 828 . 1 1 68 68 LYS HA H 1 3.880 0.040 . 1 . . . A 68 LYS HA . 11496 1 829 . 1 1 68 68 LYS HB2 H 1 1.951 0.040 . 2 . . . A 68 LYS HB2 . 11496 1 830 . 1 1 68 68 LYS HB3 H 1 1.806 0.040 . 2 . . . A 68 LYS HB3 . 11496 1 831 . 1 1 68 68 LYS HG2 H 1 1.599 0.040 . 2 . . . A 68 LYS HG2 . 11496 1 832 . 1 1 68 68 LYS HG3 H 1 1.335 0.040 . 2 . . . A 68 LYS HG3 . 11496 1 833 . 1 1 68 68 LYS HD2 H 1 1.641 0.040 . 2 . . . A 68 LYS HD2 . 11496 1 834 . 1 1 68 68 LYS HD3 H 1 1.641 0.040 . 2 . . . A 68 LYS HD3 . 11496 1 835 . 1 1 68 68 LYS HE2 H 1 2.923 0.040 . 2 . . . A 68 LYS HE2 . 11496 1 836 . 1 1 68 68 LYS HE3 H 1 2.923 0.040 . 2 . . . A 68 LYS HE3 . 11496 1 837 . 1 1 68 68 LYS C C 13 179.083 0.450 . 1 . . . A 68 LYS C . 11496 1 838 . 1 1 68 68 LYS CA C 13 60.116 0.450 . 1 . . . A 68 LYS CA . 11496 1 839 . 1 1 68 68 LYS CB C 13 32.207 0.450 . 1 . . . A 68 LYS CB . 11496 1 840 . 1 1 68 68 LYS CG C 13 25.436 0.450 . 1 . . . A 68 LYS CG . 11496 1 841 . 1 1 68 68 LYS CD C 13 29.018 0.450 . 1 . . . A 68 LYS CD . 11496 1 842 . 1 1 68 68 LYS CE C 13 41.596 0.450 . 1 . . . A 68 LYS CE . 11496 1 843 . 1 1 68 68 LYS N N 15 118.848 0.450 . 1 . . . A 68 LYS N . 11496 1 844 . 1 1 69 69 LYS H H 1 7.557 0.040 . 1 . . . A 69 LYS H . 11496 1 845 . 1 1 69 69 LYS HA H 1 3.899 0.040 . 1 . . . A 69 LYS HA . 11496 1 846 . 1 1 69 69 LYS HB2 H 1 1.933 0.040 . 2 . . . A 69 LYS HB2 . 11496 1 847 . 1 1 69 69 LYS HB3 H 1 1.933 0.040 . 2 . . . A 69 LYS HB3 . 11496 1 848 . 1 1 69 69 LYS HG2 H 1 1.621 0.040 . 2 . . . A 69 LYS HG2 . 11496 1 849 . 1 1 69 69 LYS HG3 H 1 1.380 0.040 . 2 . . . A 69 LYS HG3 . 11496 1 850 . 1 1 69 69 LYS HD2 H 1 1.624 0.040 . 2 . . . A 69 LYS HD2 . 11496 1 851 . 1 1 69 69 LYS HD3 H 1 1.624 0.040 . 2 . . . A 69 LYS HD3 . 11496 1 852 . 1 1 69 69 LYS HE2 H 1 2.940 0.040 . 2 . . . A 69 LYS HE2 . 11496 1 853 . 1 1 69 69 LYS HE3 H 1 2.940 0.040 . 2 . . . A 69 LYS HE3 . 11496 1 854 . 1 1 69 69 LYS C C 13 178.826 0.450 . 1 . . . A 69 LYS C . 11496 1 855 . 1 1 69 69 LYS CA C 13 59.613 0.450 . 1 . . . A 69 LYS CA . 11496 1 856 . 1 1 69 69 LYS CB C 13 32.260 0.450 . 1 . . . A 69 LYS CB . 11496 1 857 . 1 1 69 69 LYS CG C 13 25.848 0.450 . 1 . . . A 69 LYS CG . 11496 1 858 . 1 1 69 69 LYS CD C 13 28.954 0.450 . 1 . . . A 69 LYS CD . 11496 1 859 . 1 1 69 69 LYS CE C 13 41.654 0.450 . 1 . . . A 69 LYS CE . 11496 1 860 . 1 1 69 69 LYS N N 15 118.865 0.450 . 1 . . . A 69 LYS N . 11496 1 861 . 1 1 70 70 TRP H H 1 8.029 0.040 . 1 . . . A 70 TRP H . 11496 1 862 . 1 1 70 70 TRP HA H 1 4.327 0.040 . 1 . . . A 70 TRP HA . 11496 1 863 . 1 1 70 70 TRP HB2 H 1 3.394 0.040 . 2 . . . A 70 TRP HB2 . 11496 1 864 . 1 1 70 70 TRP HB3 H 1 3.394 0.040 . 2 . . . A 70 TRP HB3 . 11496 1 865 . 1 1 70 70 TRP HD1 H 1 7.338 0.040 . 1 . . . A 70 TRP HD1 . 11496 1 866 . 1 1 70 70 TRP HE1 H 1 10.981 0.040 . 1 . . . A 70 TRP HE1 . 11496 1 867 . 1 1 70 70 TRP HE3 H 1 7.529 0.040 . 1 . . . A 70 TRP HE3 . 11496 1 868 . 1 1 70 70 TRP HZ2 H 1 7.222 0.040 . 1 . . . A 70 TRP HZ2 . 11496 1 869 . 1 1 70 70 TRP HZ3 H 1 6.907 0.040 . 1 . . . A 70 TRP HZ3 . 11496 1 870 . 1 1 70 70 TRP HH2 H 1 7.017 0.040 . 1 . . . A 70 TRP HH2 . 11496 1 871 . 1 1 70 70 TRP C C 13 178.645 0.450 . 1 . . . A 70 TRP C . 11496 1 872 . 1 1 70 70 TRP CA C 13 59.993 0.450 . 1 . . . A 70 TRP CA . 11496 1 873 . 1 1 70 70 TRP CB C 13 29.755 0.450 . 1 . . . A 70 TRP CB . 11496 1 874 . 1 1 70 70 TRP CD1 C 13 129.342 0.450 . 1 . . . A 70 TRP CD1 . 11496 1 875 . 1 1 70 70 TRP CE2 C 13 139.307 0.450 . 1 . . . A 70 TRP CE2 . 11496 1 876 . 1 1 70 70 TRP CE3 C 13 121.804 0.450 . 1 . . . A 70 TRP CE3 . 11496 1 877 . 1 1 70 70 TRP CZ2 C 13 113.346 0.450 . 1 . . . A 70 TRP CZ2 . 11496 1 878 . 1 1 70 70 TRP CZ3 C 13 122.393 0.450 . 1 . . . A 70 TRP CZ3 . 11496 1 879 . 1 1 70 70 TRP CH2 C 13 124.892 0.450 . 1 . . . A 70 TRP CH2 . 11496 1 880 . 1 1 70 70 TRP N N 15 120.717 0.450 . 1 . . . A 70 TRP N . 11496 1 881 . 1 1 70 70 TRP NE1 N 15 128.893 0.450 . 1 . . . A 70 TRP NE1 . 11496 1 882 . 1 1 71 71 LYS H H 1 8.468 0.040 . 1 . . . A 71 LYS H . 11496 1 883 . 1 1 71 71 LYS HA H 1 3.690 0.040 . 1 . . . A 71 LYS HA . 11496 1 884 . 1 1 71 71 LYS HB2 H 1 1.835 0.040 . 2 . . . A 71 LYS HB2 . 11496 1 885 . 1 1 71 71 LYS HB3 H 1 1.835 0.040 . 2 . . . A 71 LYS HB3 . 11496 1 886 . 1 1 71 71 LYS HG2 H 1 1.562 0.040 . 2 . . . A 71 LYS HG2 . 11496 1 887 . 1 1 71 71 LYS HG3 H 1 1.562 0.040 . 2 . . . A 71 LYS HG3 . 11496 1 888 . 1 1 71 71 LYS HD2 H 1 1.709 0.040 . 2 . . . A 71 LYS HD2 . 11496 1 889 . 1 1 71 71 LYS HD3 H 1 1.709 0.040 . 2 . . . A 71 LYS HD3 . 11496 1 890 . 1 1 71 71 LYS HE2 H 1 3.031 0.040 . 2 . . . A 71 LYS HE2 . 11496 1 891 . 1 1 71 71 LYS HE3 H 1 2.863 0.040 . 2 . . . A 71 LYS HE3 . 11496 1 892 . 1 1 71 71 LYS C C 13 178.655 0.450 . 1 . . . A 71 LYS C . 11496 1 893 . 1 1 71 71 LYS CA C 13 59.670 0.450 . 1 . . . A 71 LYS CA . 11496 1 894 . 1 1 71 71 LYS CB C 13 32.616 0.450 . 1 . . . A 71 LYS CB . 11496 1 895 . 1 1 71 71 LYS CG C 13 25.062 0.450 . 1 . . . A 71 LYS CG . 11496 1 896 . 1 1 71 71 LYS CD C 13 29.465 0.450 . 1 . . . A 71 LYS CD . 11496 1 897 . 1 1 71 71 LYS CE C 13 41.957 0.450 . 1 . . . A 71 LYS CE . 11496 1 898 . 1 1 71 71 LYS N N 15 117.071 0.450 . 1 . . . A 71 LYS N . 11496 1 899 . 1 1 72 72 LYS H H 1 7.595 0.040 . 1 . . . A 72 LYS H . 11496 1 900 . 1 1 72 72 LYS HA H 1 4.142 0.040 . 1 . . . A 72 LYS HA . 11496 1 901 . 1 1 72 72 LYS HB2 H 1 1.892 0.040 . 2 . . . A 72 LYS HB2 . 11496 1 902 . 1 1 72 72 LYS HB3 H 1 1.827 0.040 . 2 . . . A 72 LYS HB3 . 11496 1 903 . 1 1 72 72 LYS HG2 H 1 1.485 0.040 . 2 . . . A 72 LYS HG2 . 11496 1 904 . 1 1 72 72 LYS HG3 H 1 1.485 0.040 . 2 . . . A 72 LYS HG3 . 11496 1 905 . 1 1 72 72 LYS HD2 H 1 1.627 0.040 . 2 . . . A 72 LYS HD2 . 11496 1 906 . 1 1 72 72 LYS HD3 H 1 1.627 0.040 . 2 . . . A 72 LYS HD3 . 11496 1 907 . 1 1 72 72 LYS HE2 H 1 2.909 0.040 . 2 . . . A 72 LYS HE2 . 11496 1 908 . 1 1 72 72 LYS HE3 H 1 2.909 0.040 . 2 . . . A 72 LYS HE3 . 11496 1 909 . 1 1 72 72 LYS C C 13 176.852 0.450 . 1 . . . A 72 LYS C . 11496 1 910 . 1 1 72 72 LYS CA C 13 56.743 0.450 . 1 . . . A 72 LYS CA . 11496 1 911 . 1 1 72 72 LYS CB C 13 32.312 0.450 . 1 . . . A 72 LYS CB . 11496 1 912 . 1 1 72 72 LYS CG C 13 24.929 0.450 . 1 . . . A 72 LYS CG . 11496 1 913 . 1 1 72 72 LYS CD C 13 28.774 0.450 . 1 . . . A 72 LYS CD . 11496 1 914 . 1 1 72 72 LYS CE C 13 41.547 0.450 . 1 . . . A 72 LYS CE . 11496 1 915 . 1 1 72 72 LYS N N 15 117.451 0.450 . 1 . . . A 72 LYS N . 11496 1 916 . 1 1 73 73 ARG H H 1 7.196 0.040 . 1 . . . A 73 ARG H . 11496 1 917 . 1 1 73 73 ARG HA H 1 4.048 0.040 . 1 . . . A 73 ARG HA . 11496 1 918 . 1 1 73 73 ARG HB2 H 1 1.607 0.040 . 2 . . . A 73 ARG HB2 . 11496 1 919 . 1 1 73 73 ARG HB3 H 1 1.607 0.040 . 2 . . . A 73 ARG HB3 . 11496 1 920 . 1 1 73 73 ARG HG2 H 1 1.457 0.040 . 2 . . . A 73 ARG HG2 . 11496 1 921 . 1 1 73 73 ARG HG3 H 1 1.292 0.040 . 2 . . . A 73 ARG HG3 . 11496 1 922 . 1 1 73 73 ARG HD2 H 1 2.765 0.040 . 2 . . . A 73 ARG HD2 . 11496 1 923 . 1 1 73 73 ARG HD3 H 1 2.539 0.040 . 2 . . . A 73 ARG HD3 . 11496 1 924 . 1 1 73 73 ARG HE H 1 6.633 0.040 . 1 . . . A 73 ARG HE . 11496 1 925 . 1 1 73 73 ARG C C 13 175.865 0.450 . 1 . . . A 73 ARG C . 11496 1 926 . 1 1 73 73 ARG CA C 13 56.609 0.450 . 1 . . . A 73 ARG CA . 11496 1 927 . 1 1 73 73 ARG CB C 13 29.847 0.450 . 1 . . . A 73 ARG CB . 11496 1 928 . 1 1 73 73 ARG CG C 13 26.609 0.450 . 1 . . . A 73 ARG CG . 11496 1 929 . 1 1 73 73 ARG CD C 13 42.508 0.450 . 1 . . . A 73 ARG CD . 11496 1 930 . 1 1 73 73 ARG CZ C 13 157.808 0.450 . 1 . . . A 73 ARG CZ . 11496 1 931 . 1 1 73 73 ARG N N 15 119.246 0.450 . 1 . . . A 73 ARG N . 11496 1 932 . 1 1 73 73 ARG NE N 15 84.304 0.450 . 1 . . . A 73 ARG NE . 11496 1 933 . 1 1 74 74 LYS H H 1 7.707 0.040 . 1 . . . A 74 LYS H . 11496 1 934 . 1 1 74 74 LYS HA H 1 4.016 0.040 . 1 . . . A 74 LYS HA . 11496 1 935 . 1 1 74 74 LYS HB2 H 1 1.657 0.040 . 2 . . . A 74 LYS HB2 . 11496 1 936 . 1 1 74 74 LYS HB3 H 1 1.532 0.040 . 2 . . . A 74 LYS HB3 . 11496 1 937 . 1 1 74 74 LYS HG2 H 1 1.294 0.040 . 2 . . . A 74 LYS HG2 . 11496 1 938 . 1 1 74 74 LYS HG3 H 1 1.232 0.040 . 2 . . . A 74 LYS HG3 . 11496 1 939 . 1 1 74 74 LYS HD2 H 1 1.667 0.040 . 2 . . . A 74 LYS HD2 . 11496 1 940 . 1 1 74 74 LYS HD3 H 1 1.596 0.040 . 2 . . . A 74 LYS HD3 . 11496 1 941 . 1 1 74 74 LYS HE2 H 1 2.914 0.040 . 2 . . . A 74 LYS HE2 . 11496 1 942 . 1 1 74 74 LYS HE3 H 1 2.914 0.040 . 2 . . . A 74 LYS HE3 . 11496 1 943 . 1 1 74 74 LYS C C 13 175.536 0.450 . 1 . . . A 74 LYS C . 11496 1 944 . 1 1 74 74 LYS CA C 13 56.452 0.450 . 1 . . . A 74 LYS CA . 11496 1 945 . 1 1 74 74 LYS CB C 13 32.153 0.450 . 1 . . . A 74 LYS CB . 11496 1 946 . 1 1 74 74 LYS CG C 13 24.346 0.450 . 1 . . . A 74 LYS CG . 11496 1 947 . 1 1 74 74 LYS CD C 13 28.832 0.450 . 1 . . . A 74 LYS CD . 11496 1 948 . 1 1 74 74 LYS CE C 13 41.596 0.450 . 1 . . . A 74 LYS CE . 11496 1 949 . 1 1 74 74 LYS N N 15 121.311 0.450 . 1 . . . A 74 LYS N . 11496 1 950 . 1 1 75 75 LYS H H 1 7.808 0.040 . 1 . . . A 75 LYS H . 11496 1 951 . 1 1 75 75 LYS HA H 1 4.054 0.040 . 1 . . . A 75 LYS HA . 11496 1 952 . 1 1 75 75 LYS HB2 H 1 1.745 0.040 . 2 . . . A 75 LYS HB2 . 11496 1 953 . 1 1 75 75 LYS HB3 H 1 1.638 0.040 . 2 . . . A 75 LYS HB3 . 11496 1 954 . 1 1 75 75 LYS HG2 H 1 1.309 0.040 . 2 . . . A 75 LYS HG2 . 11496 1 955 . 1 1 75 75 LYS HG3 H 1 1.309 0.040 . 2 . . . A 75 LYS HG3 . 11496 1 956 . 1 1 75 75 LYS HD2 H 1 1.581 0.040 . 2 . . . A 75 LYS HD2 . 11496 1 957 . 1 1 75 75 LYS HD3 H 1 1.581 0.040 . 2 . . . A 75 LYS HD3 . 11496 1 958 . 1 1 75 75 LYS HE2 H 1 2.905 0.040 . 2 . . . A 75 LYS HE2 . 11496 1 959 . 1 1 75 75 LYS HE3 H 1 2.905 0.040 . 2 . . . A 75 LYS HE3 . 11496 1 960 . 1 1 75 75 LYS CA C 13 57.674 0.450 . 1 . . . A 75 LYS CA . 11496 1 961 . 1 1 75 75 LYS CB C 13 33.533 0.450 . 1 . . . A 75 LYS CB . 11496 1 962 . 1 1 75 75 LYS CG C 13 24.609 0.450 . 1 . . . A 75 LYS CG . 11496 1 963 . 1 1 75 75 LYS CD C 13 28.837 0.450 . 1 . . . A 75 LYS CD . 11496 1 964 . 1 1 75 75 LYS CE C 13 41.684 0.450 . 1 . . . A 75 LYS CE . 11496 1 965 . 1 1 75 75 LYS N N 15 128.650 0.450 . 1 . . . A 75 LYS N . 11496 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 11496 _Assigned_chem_shift_list.ID 2 _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 16 '3D 13C/15N filtered NOESY' . . . 11496 2 17 '2D 13C/15N fllterd NOESY' . . . 11496 2 18 '2D 13C/15N filterd TOCSY' . . . 11496 2 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 . 2 2 4 4 LYS HD2 H 1 1.539 0.040 . 2 . . . B 4 LYS HD2 . 11496 2 2 . 2 2 4 4 LYS HD3 H 1 1.539 0.040 . 2 . . . B 4 LYS HD3 . 11496 2 3 . 2 2 4 4 LYS HE2 H 1 2.877 0.040 . 2 . . . B 4 LYS HE2 . 11496 2 4 . 2 2 4 4 LYS HE3 H 1 2.877 0.040 . 2 . . . B 4 LYS HE3 . 11496 2 5 . 2 2 5 5 GLN HA H 1 4.142 0.040 . 1 . . . B 5 GLN HA . 11496 2 6 . 2 2 5 5 GLN HB2 H 1 2.075 0.040 . 2 . . . B 5 GLN HB2 . 11496 2 7 . 2 2 5 5 GLN HB3 H 1 1.906 0.040 . 2 . . . B 5 GLN HB3 . 11496 2 8 . 2 2 5 5 GLN HG2 H 1 2.225 0.040 . 2 . . . B 5 GLN HG2 . 11496 2 9 . 2 2 5 5 GLN HG3 H 1 2.225 0.040 . 2 . . . B 5 GLN HG3 . 11496 2 10 . 2 2 5 5 GLN HE21 H 1 7.145 0.040 . 2 . . . B 5 GLN HE21 . 11496 2 11 . 2 2 5 5 GLN HE22 H 1 6.855 0.040 . 2 . . . B 5 GLN HE22 . 11496 2 12 . 2 2 6 6 THR HA H 1 3.907 0.040 . 1 . . . B 6 THR HA . 11496 2 13 . 2 2 6 6 THR HB H 1 5.235 0.040 . 1 . . . B 6 THR HB . 11496 2 14 . 2 2 6 6 THR HG21 H 1 0.895 0.040 . 1 . . . B 6 THR HG21 . 11496 2 15 . 2 2 6 6 THR HG22 H 1 0.895 0.040 . 1 . . . B 6 THR HG22 . 11496 2 16 . 2 2 6 6 THR HG23 H 1 0.895 0.040 . 1 . . . B 6 THR HG23 . 11496 2 17 . 2 2 7 7 ALA HA H 1 4.277 0.040 . 1 . . . B 7 ALA HA . 11496 2 18 . 2 2 7 7 ALA HB1 H 1 1.310 0.040 . 1 . . . B 7 ALA HB1 . 11496 2 19 . 2 2 7 7 ALA HB2 H 1 1.310 0.040 . 1 . . . B 7 ALA HB2 . 11496 2 20 . 2 2 7 7 ALA HB3 H 1 1.310 0.040 . 1 . . . B 7 ALA HB3 . 11496 2 21 . 2 2 8 8 ARG HA H 1 4.764 0.040 . 1 . . . B 8 ARG HA . 11496 2 22 . 2 2 8 8 ARG HB2 H 1 1.507 0.040 . 2 . . . B 8 ARG HB2 . 11496 2 23 . 2 2 8 8 ARG HB3 H 1 1.507 0.040 . 2 . . . B 8 ARG HB3 . 11496 2 24 . 2 2 8 8 ARG HG2 H 1 1.648 0.040 . 2 . . . B 8 ARG HG2 . 11496 2 25 . 2 2 8 8 ARG HG3 H 1 1.648 0.040 . 2 . . . B 8 ARG HG3 . 11496 2 26 . 2 2 8 8 ARG HD2 H 1 3.135 0.040 . 2 . . . B 8 ARG HD2 . 11496 2 27 . 2 2 8 8 ARG HD3 H 1 3.135 0.040 . 2 . . . B 8 ARG HD3 . 11496 2 28 . 2 2 9 9 M3L HA H 1 4.710 0.040 . 1 . . . B 9 M3L HA . 11496 2 29 . 2 2 9 9 M3L HD1 H 1 1.475 0.040 . 2 . . . B 9 M3L HD1 . 11496 2 30 . 2 2 9 9 M3L HD2 H 1 1.502 0.040 . 2 . . . B 9 M3L HD2 . 11496 2 31 . 2 2 9 9 M3L HE1 H 1 3.069 0.040 . 2 . . . B 9 M3L HE1 . 11496 2 32 . 2 2 9 9 M3L HE2 H 1 3.071 0.040 . 2 . . . B 9 M3L HE2 . 11496 2 33 . 2 2 9 9 M3L HG1 H 1 0.108 0.040 . 2 . . . B 9 M3L HG1 . 11496 2 34 . 2 2 9 9 M3L HG2 H 1 0.108 0.040 . 2 . . . B 9 M3L HG2 . 11496 2 35 . 2 2 9 9 M3L HM11 H 1 1.491 0.040 . 1 . . . B 9 M3L HM11 . 11496 2 36 . 2 2 9 9 M3L HM12 H 1 1.465 0.040 . 1 . . . B 9 M3L HM12 . 11496 2 37 . 2 2 9 9 M3L HM21 H 1 1.505 0.040 . 1 . . . B 9 M3L HM21 . 11496 2 38 . 2 2 9 9 M3L HM22 H 1 1.495 0.040 . 1 . . . B 9 M3L HM22 . 11496 2 39 . 2 2 9 9 M3L HM31 H 1 1.510 0.040 . 1 . . . B 9 M3L HM31 . 11496 2 40 . 2 2 10 10 SER HA H 1 4.445 0.040 . 1 . . . B 10 SER HA . 11496 2 41 . 2 2 10 10 SER HB2 H 1 4.726 0.040 . 2 . . . B 10 SER HB2 . 11496 2 42 . 2 2 10 10 SER HB3 H 1 4.726 0.040 . 2 . . . B 10 SER HB3 . 11496 2 43 . 2 2 11 11 THR HG21 H 1 0.962 0.040 . 1 . . . B 11 THR HG21 . 11496 2 44 . 2 2 11 11 THR HG22 H 1 0.962 0.040 . 1 . . . B 11 THR HG22 . 11496 2 45 . 2 2 11 11 THR HG23 H 1 0.962 0.040 . 1 . . . B 11 THR HG23 . 11496 2 46 . 2 2 12 12 GLY HA2 H 1 3.936 0.040 . 2 . . . B 12 GLY HA2 . 11496 2 47 . 2 2 12 12 GLY HA3 H 1 3.936 0.040 . 2 . . . B 12 GLY HA3 . 11496 2 48 . 2 2 15 15 ALA H H 1 8.318 0.040 . 1 . . . B 15 ALA H . 11496 2 49 . 2 2 15 15 ALA HA H 1 4.549 0.040 . 1 . . . B 15 ALA HA . 11496 2 50 . 2 2 15 15 ALA HB1 H 1 1.340 0.040 . 1 . . . B 15 ALA HB1 . 11496 2 51 . 2 2 15 15 ALA HB2 H 1 1.340 0.040 . 1 . . . B 15 ALA HB2 . 11496 2 52 . 2 2 15 15 ALA HB3 H 1 1.340 0.040 . 1 . . . B 15 ALA HB3 . 11496 2 53 . 2 2 16 16 PRO HA H 1 4.336 0.040 . 1 . . . B 16 PRO HA . 11496 2 54 . 2 2 16 16 PRO HB2 H 1 2.171 0.040 . 2 . . . B 16 PRO HB2 . 11496 2 55 . 2 2 16 16 PRO HB3 H 1 1.732 0.040 . 2 . . . B 16 PRO HB3 . 11496 2 56 . 2 2 16 16 PRO HG2 H 1 1.978 0.040 . 2 . . . B 16 PRO HG2 . 11496 2 57 . 2 2 16 16 PRO HG3 H 1 1.978 0.040 . 2 . . . B 16 PRO HG3 . 11496 2 58 . 2 2 16 16 PRO HD2 H 1 3.764 0.040 . 2 . . . B 16 PRO HD2 . 11496 2 59 . 2 2 16 16 PRO HD3 H 1 3.615 0.040 . 2 . . . B 16 PRO HD3 . 11496 2 60 . 2 2 17 17 ARG HA H 1 4.200 0.040 . 1 . . . B 17 ARG HA . 11496 2 61 . 2 2 18 18 TYR H H 1 7.637 0.040 . 1 . . . B 18 TYR H . 11496 2 62 . 2 2 18 18 TYR HA H 1 4.364 0.040 . 1 . . . B 18 TYR HA . 11496 2 63 . 2 2 18 18 TYR HB2 H 1 3.066 0.040 . 2 . . . B 18 TYR HB2 . 11496 2 64 . 2 2 18 18 TYR HB3 H 1 2.801 0.040 . 2 . . . B 18 TYR HB3 . 11496 2 65 . 2 2 18 18 TYR HD1 H 1 7.058 0.040 . 1 . . . B 18 TYR HD1 . 11496 2 66 . 2 2 18 18 TYR HD2 H 1 7.058 0.040 . 1 . . . B 18 TYR HD2 . 11496 2 67 . 2 2 18 18 TYR HE1 H 1 6.763 0.040 . 1 . . . B 18 TYR HE1 . 11496 2 68 . 2 2 18 18 TYR HE2 H 1 6.763 0.040 . 1 . . . B 18 TYR HE2 . 11496 2 stop_ save_