################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34076 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.002 _Assigned_chem_shift_list.Chem_shift_13C_err 0.02 _Assigned_chem_shift_list.Chem_shift_15N_err 0.04 _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' . . . 34076 1 2 '3D HN(CA)CO' . . . 34076 1 3 '3D HN(CO)CACB' . . . 34076 1 4 '3D HNCACB' . . . 34076 1 5 '2D 1H-13C HSQC aliphatic' . . . 34076 1 6 '3D 13C-NOESY' . . . 34076 1 7 '3D HCCH-TOCSY' . . . 34076 1 8 '2D 1H-15N HSQC' . . . 34076 1 9 '3D 15N-NOESY' . . . 34076 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 6 6 VAL H H 1 7.776 0.002 . 1 . . . . A 6 VAL H . 34076 1 2 . 1 . 1 6 6 VAL HA H 1 3.948 0.002 . 1 . . . . A 6 VAL HA . 34076 1 3 . 1 . 1 6 6 VAL HB H 1 1.762 0.002 . 1 . . . . A 6 VAL HB . 34076 1 4 . 1 . 1 6 6 VAL HG11 H 1 0.633 0.002 . 2 . . . . A 6 VAL MG1 . 34076 1 5 . 1 . 1 6 6 VAL HG12 H 1 0.633 0.002 . 2 . . . . A 6 VAL MG1 . 34076 1 6 . 1 . 1 6 6 VAL HG13 H 1 0.633 0.002 . 2 . . . . A 6 VAL MG1 . 34076 1 7 . 1 . 1 6 6 VAL HG21 H 1 0.693 0.002 . 2 . . . . A 6 VAL MG2 . 34076 1 8 . 1 . 1 6 6 VAL HG22 H 1 0.693 0.002 . 2 . . . . A 6 VAL MG2 . 34076 1 9 . 1 . 1 6 6 VAL HG23 H 1 0.693 0.002 . 2 . . . . A 6 VAL MG2 . 34076 1 10 . 1 . 1 6 6 VAL CA C 13 62.352 0.02 . 1 . . . . A 6 VAL CA . 34076 1 11 . 1 . 1 6 6 VAL CB C 13 32.512 0.02 . 1 . . . . A 6 VAL CB . 34076 1 12 . 1 . 1 6 6 VAL CG1 C 13 19.723 0.02 . 2 . . . . A 6 VAL CG1 . 34076 1 13 . 1 . 1 6 6 VAL CG2 C 13 20.875 0.02 . 2 . . . . A 6 VAL CG2 . 34076 1 14 . 1 . 1 6 6 VAL N N 15 120.959 0.04 . 1 . . . . A 6 VAL N . 34076 1 15 . 1 . 1 7 7 PHE H H 1 7.921 0.002 . 1 . . . . A 7 PHE H . 34076 1 16 . 1 . 1 7 7 PHE HA H 1 5.065 0.002 . 1 . . . . A 7 PHE HA . 34076 1 17 . 1 . 1 7 7 PHE HB2 H 1 2.794 0.002 . 2 . . . . A 7 PHE HB2 . 34076 1 18 . 1 . 1 7 7 PHE HB3 H 1 3.190 0.002 . 2 . . . . A 7 PHE HB3 . 34076 1 19 . 1 . 1 7 7 PHE CA C 13 56.673 0.02 . 1 . . . . A 7 PHE CA . 34076 1 20 . 1 . 1 7 7 PHE CB C 13 40.541 0.02 . 1 . . . . A 7 PHE CB . 34076 1 21 . 1 . 1 7 7 PHE N N 15 120.255 0.04 . 1 . . . . A 7 PHE N . 34076 1 22 . 1 . 1 8 8 GLY H H 1 8.869 0.002 . 1 . . . . A 8 GLY H . 34076 1 23 . 1 . 1 8 8 GLY HA2 H 1 3.644 0.002 . 2 . . . . A 8 GLY HA2 . 34076 1 24 . 1 . 1 8 8 GLY HA3 H 1 4.249 0.002 . 2 . . . . A 8 GLY HA3 . 34076 1 25 . 1 . 1 8 8 GLY CA C 13 44.183 0.02 . 1 . . . . A 8 GLY CA . 34076 1 26 . 1 . 1 8 8 GLY N N 15 111.528 0.04 . 1 . . . . A 8 GLY N . 34076 1 27 . 1 . 1 9 9 ALA H H 1 8.551 0.002 . 1 . . . . A 9 ALA H . 34076 1 28 . 1 . 1 9 9 ALA HA H 1 4.105 0.002 . 1 . . . . A 9 ALA HA . 34076 1 29 . 1 . 1 9 9 ALA HB1 H 1 1.418 0.002 . 1 . . . . A 9 ALA MB . 34076 1 30 . 1 . 1 9 9 ALA HB2 H 1 1.418 0.002 . 1 . . . . A 9 ALA MB . 34076 1 31 . 1 . 1 9 9 ALA HB3 H 1 1.418 0.002 . 1 . . . . A 9 ALA MB . 34076 1 32 . 1 . 1 9 9 ALA CA C 13 54.591 0.02 . 1 . . . . A 9 ALA CA . 34076 1 33 . 1 . 1 9 9 ALA CB C 13 17.880 0.02 . 1 . . . . A 9 ALA CB . 34076 1 34 . 1 . 1 9 9 ALA N N 15 125.899 0.04 . 1 . . . . A 9 ALA N . 34076 1 35 . 1 . 1 10 10 GLY H H 1 9.231 0.002 . 1 . . . . A 10 GLY H . 34076 1 36 . 1 . 1 10 10 GLY HA2 H 1 3.599 0.002 . 2 . . . . A 10 GLY HA2 . 34076 1 37 . 1 . 1 10 10 GLY HA3 H 1 4.161 0.002 . 2 . . . . A 10 GLY HA3 . 34076 1 38 . 1 . 1 10 10 GLY CA C 13 44.974 0.02 . 1 . . . . A 10 GLY CA . 34076 1 39 . 1 . 1 10 10 GLY N N 15 105.590 0.04 . 1 . . . . A 10 GLY N . 34076 1 40 . 1 . 1 11 11 CYS H H 1 7.254 0.002 . 1 . . . . A 11 CYS H . 34076 1 41 . 1 . 1 11 11 CYS HA H 1 4.554 0.002 . 1 . . . . A 11 CYS HA . 34076 1 42 . 1 . 1 11 11 CYS HB2 H 1 2.956 0.002 . 2 . . . . A 11 CYS HB2 . 34076 1 43 . 1 . 1 11 11 CYS HB3 H 1 3.045 0.002 . 2 . . . . A 11 CYS HB3 . 34076 1 44 . 1 . 1 11 11 CYS CA C 13 64.318 0.02 . 1 . . . . A 11 CYS CA . 34076 1 45 . 1 . 1 11 11 CYS CB C 13 30.585 0.02 . 1 . . . . A 11 CYS CB . 34076 1 46 . 1 . 1 11 11 CYS N N 15 119.992 0.04 . 1 . . . . A 11 CYS N . 34076 1 47 . 1 . 1 12 12 THR H H 1 7.271 0.002 . 1 . . . . A 12 THR H . 34076 1 48 . 1 . 1 12 12 THR HA H 1 4.253 0.002 . 1 . . . . A 12 THR HA . 34076 1 49 . 1 . 1 12 12 THR HB H 1 4.721 0.002 . 1 . . . . A 12 THR HB . 34076 1 50 . 1 . 1 12 12 THR HG21 H 1 1.297 0.002 . 1 . . . . A 12 THR MG . 34076 1 51 . 1 . 1 12 12 THR HG22 H 1 1.297 0.002 . 1 . . . . A 12 THR MG . 34076 1 52 . 1 . 1 12 12 THR HG23 H 1 1.297 0.002 . 1 . . . . A 12 THR MG . 34076 1 53 . 1 . 1 12 12 THR CA C 13 59.797 0.02 . 1 . . . . A 12 THR CA . 34076 1 54 . 1 . 1 12 12 THR CB C 13 71.178 0.02 . 1 . . . . A 12 THR CB . 34076 1 55 . 1 . 1 12 12 THR CG2 C 13 22.526 0.02 . 1 . . . . A 12 THR CG2 . 34076 1 56 . 1 . 1 12 12 THR N N 15 113.516 0.04 . 1 . . . . A 12 THR N . 34076 1 57 . 1 . 1 13 13 ASP H H 1 8.839 0.002 . 1 . . . . A 13 ASP H . 34076 1 58 . 1 . 1 13 13 ASP HA H 1 4.128 0.002 . 1 . . . . A 13 ASP HA . 34076 1 59 . 1 . 1 13 13 ASP HB2 H 1 2.568 0.002 . 2 . . . . A 13 ASP HB2 . 34076 1 60 . 1 . 1 13 13 ASP HB3 H 1 2.568 0.002 . 2 . . . . A 13 ASP HB3 . 34076 1 61 . 1 . 1 13 13 ASP CA C 13 57.191 0.02 . 1 . . . . A 13 ASP CA . 34076 1 62 . 1 . 1 13 13 ASP CB C 13 39.366 0.02 . 1 . . . . A 13 ASP CB . 34076 1 63 . 1 . 1 13 13 ASP N N 15 119.466 0.04 . 1 . . . . A 13 ASP N . 34076 1 64 . 1 . 1 14 14 THR H H 1 7.495 0.002 . 1 . . . . A 14 THR H . 34076 1 65 . 1 . 1 14 14 THR HA H 1 3.824 0.002 . 1 . . . . A 14 THR HA . 34076 1 66 . 1 . 1 14 14 THR HB H 1 3.871 0.002 . 1 . . . . A 14 THR HB . 34076 1 67 . 1 . 1 14 14 THR HG21 H 1 1.097 0.002 . 1 . . . . A 14 THR MG . 34076 1 68 . 1 . 1 14 14 THR HG22 H 1 1.097 0.002 . 1 . . . . A 14 THR MG . 34076 1 69 . 1 . 1 14 14 THR HG23 H 1 1.097 0.002 . 1 . . . . A 14 THR MG . 34076 1 70 . 1 . 1 14 14 THR CA C 13 65.681 0.02 . 1 . . . . A 14 THR CA . 34076 1 71 . 1 . 1 14 14 THR CB C 13 68.597 0.02 . 1 . . . . A 14 THR CB . 34076 1 72 . 1 . 1 14 14 THR CG2 C 13 21.933 0.02 . 1 . . . . A 14 THR CG2 . 34076 1 73 . 1 . 1 14 14 THR N N 15 114.184 0.04 . 1 . . . . A 14 THR N . 34076 1 74 . 1 . 1 15 15 CYS H H 1 7.249 0.002 . 1 . . . . A 15 CYS H . 34076 1 75 . 1 . 1 15 15 CYS HA H 1 5.501 0.002 . 1 . . . . A 15 CYS HA . 34076 1 76 . 1 . 1 15 15 CYS HB2 H 1 2.663 0.002 . 2 . . . . A 15 CYS HB2 . 34076 1 77 . 1 . 1 15 15 CYS HB3 H 1 3.107 0.002 . 2 . . . . A 15 CYS HB3 . 34076 1 78 . 1 . 1 15 15 CYS CA C 13 60.769 0.02 . 1 . . . . A 15 CYS CA . 34076 1 79 . 1 . 1 15 15 CYS CB C 13 31.324 0.02 . 1 . . . . A 15 CYS CB . 34076 1 80 . 1 . 1 15 15 CYS N N 15 126.262 0.04 . 1 . . . . A 15 CYS N . 34076 1 81 . 1 . 1 16 16 LYS H H 1 6.663 0.002 . 1 . . . . A 16 LYS H . 34076 1 82 . 1 . 1 16 16 LYS HA H 1 3.753 0.002 . 1 . . . . A 16 LYS HA . 34076 1 83 . 1 . 1 16 16 LYS HB2 H 1 1.557 0.002 . 2 . . . . A 16 LYS HB2 . 34076 1 84 . 1 . 1 16 16 LYS HB3 H 1 1.300 0.002 . 2 . . . . A 16 LYS HB3 . 34076 1 85 . 1 . 1 16 16 LYS HG2 H 1 -0.393 0.002 . 2 . . . . A 16 LYS HG2 . 34076 1 86 . 1 . 1 16 16 LYS HG3 H 1 0.917 0.002 . 2 . . . . A 16 LYS HG3 . 34076 1 87 . 1 . 1 16 16 LYS HD2 H 1 1.169 0.002 . 2 . . . . A 16 LYS HD2 . 34076 1 88 . 1 . 1 16 16 LYS HD3 H 1 1.169 0.002 . 2 . . . . A 16 LYS HD3 . 34076 1 89 . 1 . 1 16 16 LYS HE2 H 1 2.353 0.002 . 2 . . . . A 16 LYS HE2 . 34076 1 90 . 1 . 1 16 16 LYS HE3 H 1 2.353 0.002 . 2 . . . . A 16 LYS HE3 . 34076 1 91 . 1 . 1 16 16 LYS CA C 13 56.147 0.02 . 1 . . . . A 16 LYS CA . 34076 1 92 . 1 . 1 16 16 LYS CB C 13 32.529 0.02 . 1 . . . . A 16 LYS CB . 34076 1 93 . 1 . 1 16 16 LYS CG C 13 24.310 0.02 . 1 . . . . A 16 LYS CG . 34076 1 94 . 1 . 1 16 16 LYS CD C 13 29.624 0.02 . 1 . . . . A 16 LYS CD . 34076 1 95 . 1 . 1 16 16 LYS CE C 13 42.092 0.02 . 1 . . . . A 16 LYS CE . 34076 1 96 . 1 . 1 16 16 LYS N N 15 112.193 0.04 . 1 . . . . A 16 LYS N . 34076 1 97 . 1 . 1 17 17 GLN H H 1 7.000 0.002 . 1 . . . . A 17 GLN H . 34076 1 98 . 1 . 1 17 17 GLN HA H 1 4.075 0.002 . 1 . . . . A 17 GLN HA . 34076 1 99 . 1 . 1 17 17 GLN HB2 H 1 2.044 0.002 . 2 . . . . A 17 GLN HB2 . 34076 1 100 . 1 . 1 17 17 GLN HB3 H 1 2.044 0.002 . 2 . . . . A 17 GLN HB3 . 34076 1 101 . 1 . 1 17 17 GLN HG2 H 1 2.437 0.002 . 2 . . . . A 17 GLN HG2 . 34076 1 102 . 1 . 1 17 17 GLN HG3 H 1 2.736 0.002 . 2 . . . . A 17 GLN HG3 . 34076 1 103 . 1 . 1 17 17 GLN HE21 H 1 6.869 0.002 . 2 . . . . A 17 GLN HE21 . 34076 1 104 . 1 . 1 17 17 GLN HE22 H 1 7.446 0.002 . 2 . . . . A 17 GLN HE22 . 34076 1 105 . 1 . 1 17 17 GLN CA C 13 55.909 0.02 . 1 . . . . A 17 GLN CA . 34076 1 106 . 1 . 1 17 17 GLN CB C 13 29.573 0.02 . 1 . . . . A 17 GLN CB . 34076 1 107 . 1 . 1 17 17 GLN CG C 13 34.179 0.02 . 1 . . . . A 17 GLN CG . 34076 1 108 . 1 . 1 17 17 GLN N N 15 119.135 0.04 . 1 . . . . A 17 GLN N . 34076 1 109 . 1 . 1 17 17 GLN NE2 N 15 110.877 0.04 . 1 . . . . A 17 GLN NE2 . 34076 1 110 . 1 . 1 18 18 THR H H 1 8.207 0.002 . 1 . . . . A 18 THR H . 34076 1 111 . 1 . 1 18 18 THR HA H 1 4.599 0.002 . 1 . . . . A 18 THR HA . 34076 1 112 . 1 . 1 18 18 THR HB H 1 4.009 0.002 . 1 . . . . A 18 THR HB . 34076 1 113 . 1 . 1 18 18 THR HG21 H 1 1.131 0.002 . 1 . . . . A 18 THR MG . 34076 1 114 . 1 . 1 18 18 THR HG22 H 1 1.131 0.002 . 1 . . . . A 18 THR MG . 34076 1 115 . 1 . 1 18 18 THR HG23 H 1 1.131 0.002 . 1 . . . . A 18 THR MG . 34076 1 116 . 1 . 1 18 18 THR CA C 13 57.986 0.02 . 1 . . . . A 18 THR CA . 34076 1 117 . 1 . 1 18 18 THR CB C 13 70.382 0.02 . 1 . . . . A 18 THR CB . 34076 1 118 . 1 . 1 18 18 THR CG2 C 13 20.564 0.02 . 1 . . . . A 18 THR CG2 . 34076 1 119 . 1 . 1 18 18 THR N N 15 113.130 0.04 . 1 . . . . A 18 THR N . 34076 1 120 . 1 . 1 19 19 PRO HA H 1 4.903 0.002 . 1 . . . . A 19 PRO HA . 34076 1 121 . 1 . 1 19 19 PRO HB2 H 1 2.165 0.002 . 2 . . . . A 19 PRO HB2 . 34076 1 122 . 1 . 1 19 19 PRO HB3 H 1 2.331 0.002 . 2 . . . . A 19 PRO HB3 . 34076 1 123 . 1 . 1 19 19 PRO HG2 H 1 1.661 0.002 . 2 . . . . A 19 PRO HG2 . 34076 1 124 . 1 . 1 19 19 PRO HG3 H 1 1.919 0.002 . 2 . . . . A 19 PRO HG3 . 34076 1 125 . 1 . 1 19 19 PRO HD2 H 1 3.404 0.002 . 2 . . . . A 19 PRO HD2 . 34076 1 126 . 1 . 1 19 19 PRO HD3 H 1 3.492 0.002 . 2 . . . . A 19 PRO HD3 . 34076 1 127 . 1 . 1 19 19 PRO CA C 13 63.381 0.02 . 1 . . . . A 19 PRO CA . 34076 1 128 . 1 . 1 19 19 PRO CB C 13 34.515 0.02 . 1 . . . . A 19 PRO CB . 34076 1 129 . 1 . 1 19 19 PRO CG C 13 24.432 0.02 . 1 . . . . A 19 PRO CG . 34076 1 130 . 1 . 1 19 19 PRO CD C 13 49.244 0.02 . 1 . . . . A 19 PRO CD . 34076 1 131 . 1 . 1 20 20 CYS H H 1 8.207 0.002 . 1 . . . . A 20 CYS H . 34076 1 132 . 1 . 1 20 20 CYS HA H 1 4.076 0.002 . 1 . . . . A 20 CYS HA . 34076 1 133 . 1 . 1 20 20 CYS HB2 H 1 2.741 0.002 . 2 . . . . A 20 CYS HB2 . 34076 1 134 . 1 . 1 20 20 CYS HB3 H 1 3.252 0.002 . 2 . . . . A 20 CYS HB3 . 34076 1 135 . 1 . 1 20 20 CYS CA C 13 61.654 0.02 . 1 . . . . A 20 CYS CA . 34076 1 136 . 1 . 1 20 20 CYS CB C 13 29.855 0.02 . 1 . . . . A 20 CYS CB . 34076 1 137 . 1 . 1 20 20 CYS N N 15 120.228 0.04 . 1 . . . . A 20 CYS N . 34076 1 138 . 1 . 1 21 21 GLY H H 1 8.146 0.002 . 1 . . . . A 21 GLY H . 34076 1 139 . 1 . 1 21 21 GLY HA2 H 1 3.564 0.002 . 2 . . . . A 21 GLY HA2 . 34076 1 140 . 1 . 1 21 21 GLY HA3 H 1 4.439 0.002 . 2 . . . . A 21 GLY HA3 . 34076 1 141 . 1 . 1 21 21 GLY CA C 13 45.515 0.02 . 1 . . . . A 21 GLY CA . 34076 1 142 . 1 . 1 21 21 GLY N N 15 116.147 0.04 . 1 . . . . A 21 GLY N . 34076 1 143 . 1 . 1 22 22 CYS H H 1 9.135 0.002 . 1 . . . . A 22 CYS H . 34076 1 144 . 1 . 1 22 22 CYS HA H 1 3.563 0.002 . 1 . . . . A 22 CYS HA . 34076 1 145 . 1 . 1 22 22 CYS HB2 H 1 2.833 0.002 . 2 . . . . A 22 CYS HB2 . 34076 1 146 . 1 . 1 22 22 CYS HB3 H 1 2.833 0.002 . 2 . . . . A 22 CYS HB3 . 34076 1 147 . 1 . 1 22 22 CYS CA C 13 65.733 0.02 . 1 . . . . A 22 CYS CA . 34076 1 148 . 1 . 1 22 22 CYS CB C 13 29.856 0.02 . 1 . . . . A 22 CYS CB . 34076 1 149 . 1 . 1 22 22 CYS N N 15 124.649 0.04 . 1 . . . . A 22 CYS N . 34076 1 150 . 1 . 1 23 23 GLY H H 1 8.650 0.002 . 1 . . . . A 23 GLY H . 34076 1 151 . 1 . 1 23 23 GLY HA2 H 1 3.676 0.002 . 2 . . . . A 23 GLY HA2 . 34076 1 152 . 1 . 1 23 23 GLY HA3 H 1 3.826 0.002 . 2 . . . . A 23 GLY HA3 . 34076 1 153 . 1 . 1 23 23 GLY CA C 13 46.361 0.02 . 1 . . . . A 23 GLY CA . 34076 1 154 . 1 . 1 23 23 GLY N N 15 107.353 0.04 . 1 . . . . A 23 GLY N . 34076 1 155 . 1 . 1 24 24 SER HA H 1 4.448 0.002 . 1 . . . . A 24 SER HA . 34076 1 156 . 1 . 1 24 24 SER HB2 H 1 3.893 0.002 . 2 . . . . A 24 SER HB2 . 34076 1 157 . 1 . 1 24 24 SER HB3 H 1 4.021 0.002 . 2 . . . . A 24 SER HB3 . 34076 1 158 . 1 . 1 24 24 SER CA C 13 58.712 0.02 . 1 . . . . A 24 SER CA . 34076 1 159 . 1 . 1 24 24 SER CB C 13 63.007 0.02 . 1 . . . . A 24 SER CB . 34076 1 160 . 1 . 1 25 25 GLY H H 1 8.283 0.002 . 1 . . . . A 25 GLY H . 34076 1 161 . 1 . 1 25 25 GLY HA2 H 1 3.587 0.002 . 2 . . . . A 25 GLY HA2 . 34076 1 162 . 1 . 1 25 25 GLY HA3 H 1 4.400 0.002 . 2 . . . . A 25 GLY HA3 . 34076 1 163 . 1 . 1 25 25 GLY CA C 13 45.544 0.02 . 1 . . . . A 25 GLY CA . 34076 1 164 . 1 . 1 25 25 GLY N N 15 111.711 0.04 . 1 . . . . A 25 GLY N . 34076 1 165 . 1 . 1 26 26 CYS H H 1 7.595 0.002 . 1 . . . . A 26 CYS H . 34076 1 166 . 1 . 1 26 26 CYS HA H 1 4.261 0.002 . 1 . . . . A 26 CYS HA . 34076 1 167 . 1 . 1 26 26 CYS HB2 H 1 3.015 0.002 . 2 . . . . A 26 CYS HB2 . 34076 1 168 . 1 . 1 26 26 CYS HB3 H 1 3.015 0.002 . 2 . . . . A 26 CYS HB3 . 34076 1 169 . 1 . 1 26 26 CYS CA C 13 61.212 0.02 . 1 . . . . A 26 CYS CA . 34076 1 170 . 1 . 1 26 26 CYS CB C 13 30.689 0.02 . 1 . . . . A 26 CYS CB . 34076 1 171 . 1 . 1 26 26 CYS N N 15 121.927 0.04 . 1 . . . . A 26 CYS N . 34076 1 172 . 1 . 1 27 27 ASN H H 1 9.300 0.002 . 1 . . . . A 27 ASN H . 34076 1 173 . 1 . 1 27 27 ASN HA H 1 5.275 0.002 . 1 . . . . A 27 ASN HA . 34076 1 174 . 1 . 1 27 27 ASN HB2 H 1 2.486 0.002 . 2 . . . . A 27 ASN HB2 . 34076 1 175 . 1 . 1 27 27 ASN HB3 H 1 3.064 0.002 . 2 . . . . A 27 ASN HB3 . 34076 1 176 . 1 . 1 27 27 ASN HD21 H 1 6.848 0.002 . 2 . . . . A 27 ASN HD21 . 34076 1 177 . 1 . 1 27 27 ASN HD22 H 1 7.451 0.002 . 2 . . . . A 27 ASN HD22 . 34076 1 178 . 1 . 1 27 27 ASN CA C 13 52.258 0.02 . 1 . . . . A 27 ASN CA . 34076 1 179 . 1 . 1 27 27 ASN CB C 13 39.791 0.02 . 1 . . . . A 27 ASN CB . 34076 1 180 . 1 . 1 27 27 ASN N N 15 129.802 0.04 . 1 . . . . A 27 ASN N . 34076 1 181 . 1 . 1 27 27 ASN ND2 N 15 112.174 0.04 . 1 . . . . A 27 ASN ND2 . 34076 1 182 . 1 . 1 28 28 CYS H H 1 9.105 0.002 . 1 . . . . A 28 CYS H . 34076 1 183 . 1 . 1 28 28 CYS HA H 1 4.408 0.002 . 1 . . . . A 28 CYS HA . 34076 1 184 . 1 . 1 28 28 CYS HB2 H 1 3.053 0.002 . 2 . . . . A 28 CYS HB2 . 34076 1 185 . 1 . 1 28 28 CYS HB3 H 1 3.454 0.002 . 2 . . . . A 28 CYS HB3 . 34076 1 186 . 1 . 1 28 28 CYS CA C 13 61.148 0.02 . 1 . . . . A 28 CYS CA . 34076 1 187 . 1 . 1 28 28 CYS CB C 13 29.704 0.02 . 1 . . . . A 28 CYS CB . 34076 1 188 . 1 . 1 28 28 CYS N N 15 121.925 0.04 . 1 . . . . A 28 CYS N . 34076 1 189 . 1 . 1 29 29 LYS H H 1 8.262 0.002 . 1 . . . . A 29 LYS H . 34076 1 190 . 1 . 1 29 29 LYS HA H 1 4.725 0.002 . 1 . . . . A 29 LYS HA . 34076 1 191 . 1 . 1 29 29 LYS HB2 H 1 1.760 0.002 . 2 . . . . A 29 LYS HB2 . 34076 1 192 . 1 . 1 29 29 LYS HB3 H 1 2.145 0.002 . 2 . . . . A 29 LYS HB3 . 34076 1 193 . 1 . 1 29 29 LYS HG2 H 1 1.452 0.002 . 2 . . . . A 29 LYS HG2 . 34076 1 194 . 1 . 1 29 29 LYS HG3 H 1 1.591 0.002 . 2 . . . . A 29 LYS HG3 . 34076 1 195 . 1 . 1 29 29 LYS HD2 H 1 1.662 0.002 . 2 . . . . A 29 LYS HD2 . 34076 1 196 . 1 . 1 29 29 LYS HD3 H 1 1.662 0.002 . 2 . . . . A 29 LYS HD3 . 34076 1 197 . 1 . 1 29 29 LYS HE2 H 1 3.023 0.002 . 2 . . . . A 29 LYS HE2 . 34076 1 198 . 1 . 1 29 29 LYS HE3 H 1 3.026 0.002 . 2 . . . . A 29 LYS HE3 . 34076 1 199 . 1 . 1 29 29 LYS CA C 13 53.986 0.02 . 1 . . . . A 29 LYS CA . 34076 1 200 . 1 . 1 29 29 LYS CB C 13 32.993 0.02 . 1 . . . . A 29 LYS CB . 34076 1 201 . 1 . 1 29 29 LYS CG C 13 24.696 0.02 . 1 . . . . A 29 LYS CG . 34076 1 202 . 1 . 1 29 29 LYS CD C 13 28.072 0.02 . 1 . . . . A 29 LYS CD . 34076 1 203 . 1 . 1 29 29 LYS CE C 13 42.176 0.02 . 1 . . . . A 29 LYS CE . 34076 1 204 . 1 . 1 29 29 LYS N N 15 119.483 0.04 . 1 . . . . A 29 LYS N . 34076 1 205 . 1 . 1 30 30 GLU H H 1 8.915 0.002 . 1 . . . . A 30 GLU H . 34076 1 206 . 1 . 1 30 30 GLU HA H 1 4.023 0.002 . 1 . . . . A 30 GLU HA . 34076 1 207 . 1 . 1 30 30 GLU HB2 H 1 2.058 0.002 . 2 . . . . A 30 GLU HB2 . 34076 1 208 . 1 . 1 30 30 GLU HB3 H 1 2.056 0.002 . 2 . . . . A 30 GLU HB3 . 34076 1 209 . 1 . 1 30 30 GLU HG2 H 1 2.308 0.002 . 2 . . . . A 30 GLU HG2 . 34076 1 210 . 1 . 1 30 30 GLU HG3 H 1 2.308 0.002 . 2 . . . . A 30 GLU HG3 . 34076 1 211 . 1 . 1 30 30 GLU CA C 13 59.103 0.02 . 1 . . . . A 30 GLU CA . 34076 1 212 . 1 . 1 30 30 GLU CB C 13 28.612 0.02 . 1 . . . . A 30 GLU CB . 34076 1 213 . 1 . 1 30 30 GLU CG C 13 35.663 0.02 . 1 . . . . A 30 GLU CG . 34076 1 214 . 1 . 1 30 30 GLU N N 15 119.780 0.04 . 1 . . . . A 30 GLU N . 34076 1 215 . 1 . 1 31 31 ASP H H 1 7.931 0.002 . 1 . . . . A 31 ASP H . 34076 1 216 . 1 . 1 31 31 ASP HA H 1 4.340 0.002 . 1 . . . . A 31 ASP HA . 34076 1 217 . 1 . 1 31 31 ASP HB2 H 1 2.613 0.002 . 2 . . . . A 31 ASP HB2 . 34076 1 218 . 1 . 1 31 31 ASP HB3 H 1 3.020 0.002 . 2 . . . . A 31 ASP HB3 . 34076 1 219 . 1 . 1 31 31 ASP CA C 13 52.908 0.02 . 1 . . . . A 31 ASP CA . 34076 1 220 . 1 . 1 31 31 ASP CB C 13 39.420 0.02 . 1 . . . . A 31 ASP CB . 34076 1 221 . 1 . 1 31 31 ASP N N 15 115.539 0.04 . 1 . . . . A 31 ASP N . 34076 1 222 . 1 . 1 32 32 CYS H H 1 7.098 0.002 . 1 . . . . A 32 CYS H . 34076 1 223 . 1 . 1 32 32 CYS HA H 1 3.677 0.002 . 1 . . . . A 32 CYS HA . 34076 1 224 . 1 . 1 32 32 CYS HB2 H 1 2.705 0.002 . 2 . . . . A 32 CYS HB2 . 34076 1 225 . 1 . 1 32 32 CYS HB3 H 1 3.321 0.002 . 2 . . . . A 32 CYS HB3 . 34076 1 226 . 1 . 1 32 32 CYS CA C 13 62.348 0.02 . 1 . . . . A 32 CYS CA . 34076 1 227 . 1 . 1 32 32 CYS CB C 13 31.261 0.02 . 1 . . . . A 32 CYS CB . 34076 1 228 . 1 . 1 32 32 CYS N N 15 122.633 0.04 . 1 . . . . A 32 CYS N . 34076 1 229 . 1 . 1 33 33 ARG H H 1 8.308 0.002 . 1 . . . . A 33 ARG H . 34076 1 230 . 1 . 1 33 33 ARG HA H 1 4.559 0.002 . 1 . . . . A 33 ARG HA . 34076 1 231 . 1 . 1 33 33 ARG HB2 H 1 1.628 0.002 . 2 . . . . A 33 ARG HB2 . 34076 1 232 . 1 . 1 33 33 ARG HB3 H 1 2.060 0.002 . 2 . . . . A 33 ARG HB3 . 34076 1 233 . 1 . 1 33 33 ARG HG2 H 1 1.505 0.002 . 2 . . . . A 33 ARG HG2 . 34076 1 234 . 1 . 1 33 33 ARG HG3 H 1 1.570 0.002 . 2 . . . . A 33 ARG HG3 . 34076 1 235 . 1 . 1 33 33 ARG HD2 H 1 3.081 0.002 . 2 . . . . A 33 ARG HD2 . 34076 1 236 . 1 . 1 33 33 ARG HD3 H 1 3.145 0.002 . 2 . . . . A 33 ARG HD3 . 34076 1 237 . 1 . 1 33 33 ARG CA C 13 54.398 0.02 . 1 . . . . A 33 ARG CA . 34076 1 238 . 1 . 1 33 33 ARG CB C 13 30.059 0.02 . 1 . . . . A 33 ARG CB . 34076 1 239 . 1 . 1 33 33 ARG CG C 13 26.466 0.02 . 1 . . . . A 33 ARG CG . 34076 1 240 . 1 . 1 33 33 ARG CD C 13 43.245 0.02 . 1 . . . . A 33 ARG CD . 34076 1 241 . 1 . 1 33 33 ARG N N 15 129.241 0.04 . 1 . . . . A 33 ARG N . 34076 1 242 . 1 . 1 34 34 CYS H H 1 9.265 0.002 . 1 . . . . A 34 CYS H . 34076 1 243 . 1 . 1 34 34 CYS HA H 1 4.148 0.002 . 1 . . . . A 34 CYS HA . 34076 1 244 . 1 . 1 34 34 CYS HB2 H 1 2.676 0.002 . 2 . . . . A 34 CYS HB2 . 34076 1 245 . 1 . 1 34 34 CYS HB3 H 1 3.341 0.002 . 2 . . . . A 34 CYS HB3 . 34076 1 246 . 1 . 1 34 34 CYS CA C 13 60.272 0.02 . 1 . . . . A 34 CYS CA . 34076 1 247 . 1 . 1 34 34 CYS CB C 13 31.063 0.02 . 1 . . . . A 34 CYS CB . 34076 1 248 . 1 . 1 34 34 CYS N N 15 129.017 0.04 . 1 . . . . A 34 CYS N . 34076 1 249 . 1 . 1 35 35 GLN H H 1 9.076 0.002 . 1 . . . . A 35 GLN H . 34076 1 250 . 1 . 1 35 35 GLN HA H 1 4.153 0.002 . 1 . . . . A 35 GLN HA . 34076 1 251 . 1 . 1 35 35 GLN HB2 H 1 2.115 0.002 . 2 . . . . A 35 GLN HB2 . 34076 1 252 . 1 . 1 35 35 GLN HB3 H 1 2.240 0.002 . 2 . . . . A 35 GLN HB3 . 34076 1 253 . 1 . 1 35 35 GLN HG2 H 1 2.433 0.002 . 2 . . . . A 35 GLN HG2 . 34076 1 254 . 1 . 1 35 35 GLN HG3 H 1 2.555 0.002 . 2 . . . . A 35 GLN HG3 . 34076 1 255 . 1 . 1 35 35 GLN HE21 H 1 6.668 0.002 . 2 . . . . A 35 GLN HE21 . 34076 1 256 . 1 . 1 35 35 GLN HE22 H 1 6.919 0.002 . 2 . . . . A 35 GLN HE22 . 34076 1 257 . 1 . 1 35 35 GLN CA C 13 58.278 0.02 . 1 . . . . A 35 GLN CA . 34076 1 258 . 1 . 1 35 35 GLN CB C 13 28.412 0.02 . 1 . . . . A 35 GLN CB . 34076 1 259 . 1 . 1 35 35 GLN CG C 13 34.149 0.02 . 1 . . . . A 35 GLN CG . 34076 1 260 . 1 . 1 35 35 GLN N N 15 127.952 0.04 . 1 . . . . A 35 GLN N . 34076 1 261 . 1 . 1 35 35 GLN NE2 N 15 113.574 0.04 . 1 . . . . A 35 GLN NE2 . 34076 1 262 . 1 . 1 36 36 SER H H 1 9.033 0.002 . 1 . . . . A 36 SER H . 34076 1 263 . 1 . 1 36 36 SER HA H 1 4.548 0.002 . 1 . . . . A 36 SER HA . 34076 1 264 . 1 . 1 36 36 SER HB2 H 1 4.014 0.002 . 2 . . . . A 36 SER HB2 . 34076 1 265 . 1 . 1 36 36 SER HB3 H 1 3.952 0.002 . 2 . . . . A 36 SER HB3 . 34076 1 266 . 1 . 1 36 36 SER CA C 13 61.142 0.02 . 1 . . . . A 36 SER CA . 34076 1 267 . 1 . 1 36 36 SER CB C 13 63.753 0.02 . 1 . . . . A 36 SER CB . 34076 1 268 . 1 . 1 36 36 SER N N 15 115.703 0.04 . 1 . . . . A 36 SER N . 34076 1 269 . 1 . 1 37 37 CYS H H 1 7.567 0.002 . 1 . . . . A 37 CYS H . 34076 1 270 . 1 . 1 37 37 CYS HA H 1 5.150 0.002 . 1 . . . . A 37 CYS HA . 34076 1 271 . 1 . 1 37 37 CYS HB2 H 1 3.196 0.002 . 2 . . . . A 37 CYS HB2 . 34076 1 272 . 1 . 1 37 37 CYS HB3 H 1 3.472 0.002 . 2 . . . . A 37 CYS HB3 . 34076 1 273 . 1 . 1 37 37 CYS CA C 13 58.150 0.02 . 1 . . . . A 37 CYS CA . 34076 1 274 . 1 . 1 37 37 CYS CB C 13 33.125 0.02 . 1 . . . . A 37 CYS CB . 34076 1 275 . 1 . 1 37 37 CYS N N 15 113.838 0.04 . 1 . . . . A 37 CYS N . 34076 1 276 . 1 . 1 38 38 LYS H H 1 7.873 0.002 . 1 . . . . A 38 LYS H . 34076 1 277 . 1 . 1 38 38 LYS HA H 1 4.210 0.002 . 1 . . . . A 38 LYS HA . 34076 1 278 . 1 . 1 38 38 LYS HB2 H 1 1.429 0.002 . 2 . . . . A 38 LYS HB2 . 34076 1 279 . 1 . 1 38 38 LYS HB3 H 1 1.784 0.002 . 2 . . . . A 38 LYS HB3 . 34076 1 280 . 1 . 1 38 38 LYS HG2 H 1 0.954 0.002 . 2 . . . . A 38 LYS HG2 . 34076 1 281 . 1 . 1 38 38 LYS HG3 H 1 0.955 0.002 . 2 . . . . A 38 LYS HG3 . 34076 1 282 . 1 . 1 38 38 LYS HD2 H 1 1.355 0.002 . 2 . . . . A 38 LYS HD2 . 34076 1 283 . 1 . 1 38 38 LYS HD3 H 1 1.558 0.002 . 2 . . . . A 38 LYS HD3 . 34076 1 284 . 1 . 1 38 38 LYS HE2 H 1 2.863 0.002 . 2 . . . . A 38 LYS HE2 . 34076 1 285 . 1 . 1 38 38 LYS HE3 H 1 2.863 0.002 . 2 . . . . A 38 LYS HE3 . 34076 1 286 . 1 . 1 38 38 LYS CA C 13 57.317 0.02 . 1 . . . . A 38 LYS CA . 34076 1 287 . 1 . 1 38 38 LYS CB C 13 33.140 0.02 . 1 . . . . A 38 LYS CB . 34076 1 288 . 1 . 1 38 38 LYS CG C 13 24.358 0.02 . 1 . . . . A 38 LYS CG . 34076 1 289 . 1 . 1 38 38 LYS CD C 13 28.533 0.02 . 1 . . . . A 38 LYS CD . 34076 1 290 . 1 . 1 38 38 LYS CE C 13 42.047 0.02 . 1 . . . . A 38 LYS CE . 34076 1 291 . 1 . 1 38 38 LYS N N 15 123.234 0.04 . 1 . . . . A 38 LYS N . 34076 1 292 . 1 . 1 39 39 TYR H H 1 7.142 0.002 . 1 . . . . A 39 TYR H . 34076 1 293 . 1 . 1 39 39 TYR HA H 1 4.944 0.002 . 1 . . . . A 39 TYR HA . 34076 1 294 . 1 . 1 39 39 TYR HB2 H 1 2.665 0.002 . 2 . . . . A 39 TYR HB2 . 34076 1 295 . 1 . 1 39 39 TYR HB3 H 1 3.323 0.002 . 2 . . . . A 39 TYR HB3 . 34076 1 296 . 1 . 1 39 39 TYR CA C 13 55.773 0.02 . 1 . . . . A 39 TYR CA . 34076 1 297 . 1 . 1 39 39 TYR CB C 13 41.112 0.02 . 1 . . . . A 39 TYR CB . 34076 1 298 . 1 . 1 39 39 TYR N N 15 112.772 0.04 . 1 . . . . A 39 TYR N . 34076 1 299 . 1 . 1 40 40 GLY H H 1 8.733 0.002 . 1 . . . . A 40 GLY H . 34076 1 300 . 1 . 1 40 40 GLY HA2 H 1 3.914 0.002 . 2 . . . . A 40 GLY HA2 . 34076 1 301 . 1 . 1 40 40 GLY HA3 H 1 4.125 0.002 . 2 . . . . A 40 GLY HA3 . 34076 1 302 . 1 . 1 40 40 GLY CA C 13 44.498 0.02 . 1 . . . . A 40 GLY CA . 34076 1 303 . 1 . 1 40 40 GLY N N 15 109.553 0.04 . 1 . . . . A 40 GLY N . 34076 1 304 . 1 . 1 41 41 ALA H H 1 8.456 0.002 . 1 . . . . A 41 ALA H . 34076 1 305 . 1 . 1 41 41 ALA HA H 1 4.081 0.002 . 1 . . . . A 41 ALA HA . 34076 1 306 . 1 . 1 41 41 ALA HB1 H 1 1.412 0.002 . 1 . . . . A 41 ALA MB . 34076 1 307 . 1 . 1 41 41 ALA HB2 H 1 1.412 0.002 . 1 . . . . A 41 ALA MB . 34076 1 308 . 1 . 1 41 41 ALA HB3 H 1 1.412 0.002 . 1 . . . . A 41 ALA MB . 34076 1 309 . 1 . 1 41 41 ALA CA C 13 54.693 0.02 . 1 . . . . A 41 ALA CA . 34076 1 310 . 1 . 1 41 41 ALA CB C 13 17.709 0.02 . 1 . . . . A 41 ALA CB . 34076 1 311 . 1 . 1 41 41 ALA N N 15 126.088 0.04 . 1 . . . . A 41 ALA N . 34076 1 312 . 1 . 1 42 42 GLY H H 1 9.878 0.002 . 1 . . . . A 42 GLY H . 34076 1 313 . 1 . 1 42 42 GLY HA2 H 1 4.052 0.002 . 2 . . . . A 42 GLY HA2 . 34076 1 314 . 1 . 1 42 42 GLY HA3 H 1 3.979 0.002 . 2 . . . . A 42 GLY HA3 . 34076 1 315 . 1 . 1 42 42 GLY CA C 13 44.735 0.02 . 1 . . . . A 42 GLY CA . 34076 1 316 . 1 . 1 42 42 GLY N N 15 108.467 0.04 . 1 . . . . A 42 GLY N . 34076 1 317 . 1 . 1 43 43 CYS H H 1 7.269 0.002 . 1 . . . . A 43 CYS H . 34076 1 318 . 1 . 1 43 43 CYS HA H 1 4.516 0.002 . 1 . . . . A 43 CYS HA . 34076 1 319 . 1 . 1 43 43 CYS HB2 H 1 2.964 0.002 . 2 . . . . A 43 CYS HB2 . 34076 1 320 . 1 . 1 43 43 CYS HB3 H 1 2.964 0.002 . 2 . . . . A 43 CYS HB3 . 34076 1 321 . 1 . 1 43 43 CYS CA C 13 64.423 0.02 . 1 . . . . A 43 CYS CA . 34076 1 322 . 1 . 1 43 43 CYS CB C 13 30.650 0.02 . 1 . . . . A 43 CYS CB . 34076 1 323 . 1 . 1 43 43 CYS N N 15 119.713 0.04 . 1 . . . . A 43 CYS N . 34076 1 324 . 1 . 1 44 44 THR H H 1 7.031 0.002 . 1 . . . . A 44 THR H . 34076 1 325 . 1 . 1 44 44 THR HA H 1 4.243 0.002 . 1 . . . . A 44 THR HA . 34076 1 326 . 1 . 1 44 44 THR HB H 1 4.697 0.002 . 1 . . . . A 44 THR HB . 34076 1 327 . 1 . 1 44 44 THR HG21 H 1 1.297 0.002 . 1 . . . . A 44 THR MG . 34076 1 328 . 1 . 1 44 44 THR HG22 H 1 1.297 0.002 . 1 . . . . A 44 THR MG . 34076 1 329 . 1 . 1 44 44 THR HG23 H 1 1.297 0.002 . 1 . . . . A 44 THR MG . 34076 1 330 . 1 . 1 44 44 THR CA C 13 59.726 0.02 . 1 . . . . A 44 THR CA . 34076 1 331 . 1 . 1 44 44 THR CB C 13 71.270 0.02 . 1 . . . . A 44 THR CB . 34076 1 332 . 1 . 1 44 44 THR CG2 C 13 22.463 0.02 . 1 . . . . A 44 THR CG2 . 34076 1 333 . 1 . 1 44 44 THR N N 15 113.196 0.04 . 1 . . . . A 44 THR N . 34076 1 334 . 1 . 1 45 45 ASP H H 1 8.763 0.002 . 1 . . . . A 45 ASP H . 34076 1 335 . 1 . 1 45 45 ASP HA H 1 4.108 0.002 . 1 . . . . A 45 ASP HA . 34076 1 336 . 1 . 1 45 45 ASP HB2 H 1 2.532 0.002 . 2 . . . . A 45 ASP HB2 . 34076 1 337 . 1 . 1 45 45 ASP HB3 H 1 2.613 0.002 . 2 . . . . A 45 ASP HB3 . 34076 1 338 . 1 . 1 45 45 ASP CA C 13 57.005 0.02 . 1 . . . . A 45 ASP CA . 34076 1 339 . 1 . 1 45 45 ASP CB C 13 39.313 0.02 . 1 . . . . A 45 ASP CB . 34076 1 340 . 1 . 1 45 45 ASP N N 15 118.992 0.04 . 1 . . . . A 45 ASP N . 34076 1 341 . 1 . 1 46 46 VAL H H 1 7.074 0.002 . 1 . . . . A 46 VAL H . 34076 1 342 . 1 . 1 46 46 VAL HA H 1 3.660 0.002 . 1 . . . . A 46 VAL HA . 34076 1 343 . 1 . 1 46 46 VAL HB H 1 1.855 0.002 . 1 . . . . A 46 VAL HB . 34076 1 344 . 1 . 1 46 46 VAL HG11 H 1 0.868 0.002 . 2 . . . . A 46 VAL MG1 . 34076 1 345 . 1 . 1 46 46 VAL HG12 H 1 0.868 0.002 . 2 . . . . A 46 VAL MG1 . 34076 1 346 . 1 . 1 46 46 VAL HG13 H 1 0.868 0.002 . 2 . . . . A 46 VAL MG1 . 34076 1 347 . 1 . 1 46 46 VAL HG21 H 1 0.971 0.002 . 2 . . . . A 46 VAL MG2 . 34076 1 348 . 1 . 1 46 46 VAL HG22 H 1 0.971 0.002 . 2 . . . . A 46 VAL MG2 . 34076 1 349 . 1 . 1 46 46 VAL HG23 H 1 0.971 0.002 . 2 . . . . A 46 VAL MG2 . 34076 1 350 . 1 . 1 46 46 VAL CA C 13 65.372 0.02 . 1 . . . . A 46 VAL CA . 34076 1 351 . 1 . 1 46 46 VAL CB C 13 32.160 0.02 . 1 . . . . A 46 VAL CB . 34076 1 352 . 1 . 1 46 46 VAL CG1 C 13 21.541 0.02 . 2 . . . . A 46 VAL CG1 . 34076 1 353 . 1 . 1 46 46 VAL CG2 C 13 22.074 0.02 . 2 . . . . A 46 VAL CG2 . 34076 1 354 . 1 . 1 46 46 VAL N N 15 117.743 0.04 . 1 . . . . A 46 VAL N . 34076 1 355 . 1 . 1 47 47 CYS H H 1 7.474 0.002 . 1 . . . . A 47 CYS H . 34076 1 356 . 1 . 1 47 47 CYS HA H 1 5.500 0.002 . 1 . . . . A 47 CYS HA . 34076 1 357 . 1 . 1 47 47 CYS HB2 H 1 2.670 0.002 . 2 . . . . A 47 CYS HB2 . 34076 1 358 . 1 . 1 47 47 CYS HB3 H 1 3.104 0.002 . 2 . . . . A 47 CYS HB3 . 34076 1 359 . 1 . 1 47 47 CYS CA C 13 60.881 0.02 . 1 . . . . A 47 CYS CA . 34076 1 360 . 1 . 1 47 47 CYS CB C 13 31.061 0.02 . 1 . . . . A 47 CYS CB . 34076 1 361 . 1 . 1 47 47 CYS N N 15 125.520 0.04 . 1 . . . . A 47 CYS N . 34076 1 362 . 1 . 1 48 48 LYS H H 1 6.835 0.002 . 1 . . . . A 48 LYS H . 34076 1 363 . 1 . 1 48 48 LYS HA H 1 3.749 0.002 . 1 . . . . A 48 LYS HA . 34076 1 364 . 1 . 1 48 48 LYS HB2 H 1 1.296 0.002 . 2 . . . . A 48 LYS HB2 . 34076 1 365 . 1 . 1 48 48 LYS HB3 H 1 1.639 0.002 . 2 . . . . A 48 LYS HB3 . 34076 1 366 . 1 . 1 48 48 LYS HG2 H 1 -0.592 0.002 . 2 . . . . A 48 LYS HG2 . 34076 1 367 . 1 . 1 48 48 LYS HG3 H 1 0.937 0.002 . 2 . . . . A 48 LYS HG3 . 34076 1 368 . 1 . 1 48 48 LYS HD2 H 1 1.101 0.002 . 2 . . . . A 48 LYS HD2 . 34076 1 369 . 1 . 1 48 48 LYS HD3 H 1 1.216 0.002 . 2 . . . . A 48 LYS HD3 . 34076 1 370 . 1 . 1 48 48 LYS HE2 H 1 2.288 0.002 . 2 . . . . A 48 LYS HE2 . 34076 1 371 . 1 . 1 48 48 LYS HE3 H 1 2.290 0.002 . 2 . . . . A 48 LYS HE3 . 34076 1 372 . 1 . 1 48 48 LYS CA C 13 56.585 0.02 . 1 . . . . A 48 LYS CA . 34076 1 373 . 1 . 1 48 48 LYS CB C 13 32.738 0.02 . 1 . . . . A 48 LYS CB . 34076 1 374 . 1 . 1 48 48 LYS CG C 13 24.466 0.02 . 1 . . . . A 48 LYS CG . 34076 1 375 . 1 . 1 48 48 LYS CD C 13 29.560 0.02 . 1 . . . . A 48 LYS CD . 34076 1 376 . 1 . 1 48 48 LYS CE C 13 42.239 0.02 . 1 . . . . A 48 LYS CE . 34076 1 377 . 1 . 1 48 48 LYS N N 15 112.497 0.04 . 1 . . . . A 48 LYS N . 34076 1 378 . 1 . 1 49 49 GLN H H 1 7.088 0.002 . 1 . . . . A 49 GLN H . 34076 1 379 . 1 . 1 49 49 GLN HA H 1 4.070 0.002 . 1 . . . . A 49 GLN HA . 34076 1 380 . 1 . 1 49 49 GLN HB2 H 1 2.003 0.002 . 2 . . . . A 49 GLN HB2 . 34076 1 381 . 1 . 1 49 49 GLN HB3 H 1 2.102 0.002 . 2 . . . . A 49 GLN HB3 . 34076 1 382 . 1 . 1 49 49 GLN HG2 H 1 2.439 0.002 . 2 . . . . A 49 GLN HG2 . 34076 1 383 . 1 . 1 49 49 GLN HG3 H 1 2.889 0.002 . 2 . . . . A 49 GLN HG3 . 34076 1 384 . 1 . 1 49 49 GLN HE21 H 1 6.824 0.002 . 2 . . . . A 49 GLN HE21 . 34076 1 385 . 1 . 1 49 49 GLN HE22 H 1 7.468 0.002 . 2 . . . . A 49 GLN HE22 . 34076 1 386 . 1 . 1 49 49 GLN CA C 13 56.073 0.02 . 1 . . . . A 49 GLN CA . 34076 1 387 . 1 . 1 49 49 GLN CB C 13 29.548 0.02 . 1 . . . . A 49 GLN CB . 34076 1 388 . 1 . 1 49 49 GLN CG C 13 34.279 0.02 . 1 . . . . A 49 GLN CG . 34076 1 389 . 1 . 1 49 49 GLN N N 15 119.457 0.04 . 1 . . . . A 49 GLN N . 34076 1 390 . 1 . 1 49 49 GLN NE2 N 15 110.365 0.04 . 1 . . . . A 49 GLN NE2 . 34076 1 391 . 1 . 1 50 50 THR H H 1 8.174 0.002 . 1 . . . . A 50 THR H . 34076 1 392 . 1 . 1 50 50 THR HA H 1 4.575 0.002 . 1 . . . . A 50 THR HA . 34076 1 393 . 1 . 1 50 50 THR HB H 1 4.006 0.002 . 1 . . . . A 50 THR HB . 34076 1 394 . 1 . 1 50 50 THR HG21 H 1 1.123 0.002 . 1 . . . . A 50 THR MG . 34076 1 395 . 1 . 1 50 50 THR HG22 H 1 1.123 0.002 . 1 . . . . A 50 THR MG . 34076 1 396 . 1 . 1 50 50 THR HG23 H 1 1.123 0.002 . 1 . . . . A 50 THR MG . 34076 1 397 . 1 . 1 50 50 THR CA C 13 58.210 0.02 . 1 . . . . A 50 THR CA . 34076 1 398 . 1 . 1 50 50 THR CB C 13 70.384 0.02 . 1 . . . . A 50 THR CB . 34076 1 399 . 1 . 1 50 50 THR CG2 C 13 20.564 0.02 . 1 . . . . A 50 THR CG2 . 34076 1 400 . 1 . 1 50 50 THR N N 15 113.106 0.04 . 1 . . . . A 50 THR N . 34076 1 401 . 1 . 1 51 51 PRO HA H 1 4.887 0.002 . 1 . . . . A 51 PRO HA . 34076 1 402 . 1 . 1 51 51 PRO HB2 H 1 2.147 0.002 . 2 . . . . A 51 PRO HB2 . 34076 1 403 . 1 . 1 51 51 PRO HB3 H 1 2.329 0.002 . 2 . . . . A 51 PRO HB3 . 34076 1 404 . 1 . 1 51 51 PRO HG2 H 1 1.661 0.002 . 2 . . . . A 51 PRO HG2 . 34076 1 405 . 1 . 1 51 51 PRO HG3 H 1 1.925 0.002 . 2 . . . . A 51 PRO HG3 . 34076 1 406 . 1 . 1 51 51 PRO HD2 H 1 3.404 0.002 . 2 . . . . A 51 PRO HD2 . 34076 1 407 . 1 . 1 51 51 PRO HD3 H 1 3.484 0.002 . 2 . . . . A 51 PRO HD3 . 34076 1 408 . 1 . 1 51 51 PRO CA C 13 63.393 0.02 . 1 . . . . A 51 PRO CA . 34076 1 409 . 1 . 1 51 51 PRO CB C 13 34.514 0.02 . 1 . . . . A 51 PRO CB . 34076 1 410 . 1 . 1 51 51 PRO CG C 13 24.420 0.02 . 1 . . . . A 51 PRO CG . 34076 1 411 . 1 . 1 51 51 PRO CD C 13 49.273 0.02 . 1 . . . . A 51 PRO CD . 34076 1 412 . 1 . 1 52 52 CYS H H 1 8.251 0.002 . 1 . . . . A 52 CYS H . 34076 1 413 . 1 . 1 52 52 CYS HA H 1 4.169 0.002 . 1 . . . . A 52 CYS HA . 34076 1 414 . 1 . 1 52 52 CYS HB2 H 1 2.755 0.002 . 2 . . . . A 52 CYS HB2 . 34076 1 415 . 1 . 1 52 52 CYS HB3 H 1 3.224 0.002 . 2 . . . . A 52 CYS HB3 . 34076 1 416 . 1 . 1 52 52 CYS CA C 13 61.466 0.02 . 1 . . . . A 52 CYS CA . 34076 1 417 . 1 . 1 52 52 CYS CB C 13 29.797 0.02 . 1 . . . . A 52 CYS CB . 34076 1 418 . 1 . 1 52 52 CYS N N 15 120.388 0.04 . 1 . . . . A 52 CYS N . 34076 1 419 . 1 . 1 53 53 GLY H H 1 8.339 0.002 . 1 . . . . A 53 GLY H . 34076 1 420 . 1 . 1 53 53 GLY HA2 H 1 3.661 0.002 . 2 . . . . A 53 GLY HA2 . 34076 1 421 . 1 . 1 53 53 GLY HA3 H 1 4.375 0.002 . 2 . . . . A 53 GLY HA3 . 34076 1 422 . 1 . 1 53 53 GLY CA C 13 46.257 0.02 . 1 . . . . A 53 GLY CA . 34076 1 423 . 1 . 1 53 53 GLY N N 15 116.675 0.04 . 1 . . . . A 53 GLY N . 34076 1 424 . 1 . 1 54 54 CYS H H 1 9.435 0.002 . 1 . . . . A 54 CYS H . 34076 1 425 . 1 . 1 54 54 CYS HA H 1 3.690 0.002 . 1 . . . . A 54 CYS HA . 34076 1 426 . 1 . 1 54 54 CYS HB2 H 1 2.809 0.002 . 2 . . . . A 54 CYS HB2 . 34076 1 427 . 1 . 1 54 54 CYS HB3 H 1 2.809 0.002 . 2 . . . . A 54 CYS HB3 . 34076 1 428 . 1 . 1 54 54 CYS CA C 13 63.685 0.02 . 1 . . . . A 54 CYS CA . 34076 1 429 . 1 . 1 54 54 CYS CB C 13 29.593 0.02 . 1 . . . . A 54 CYS CB . 34076 1 430 . 1 . 1 54 54 CYS N N 15 126.810 0.04 . 1 . . . . A 54 CYS N . 34076 1 431 . 1 . 1 55 55 ALA H H 1 7.906 0.002 . 1 . . . . A 55 ALA H . 34076 1 432 . 1 . 1 55 55 ALA HA H 1 3.986 0.002 . 1 . . . . A 55 ALA HA . 34076 1 433 . 1 . 1 55 55 ALA HB1 H 1 1.391 0.002 . 1 . . . . A 55 ALA MB . 34076 1 434 . 1 . 1 55 55 ALA HB2 H 1 1.391 0.002 . 1 . . . . A 55 ALA MB . 34076 1 435 . 1 . 1 55 55 ALA HB3 H 1 1.391 0.002 . 1 . . . . A 55 ALA MB . 34076 1 436 . 1 . 1 55 55 ALA CA C 13 54.700 0.02 . 1 . . . . A 55 ALA CA . 34076 1 437 . 1 . 1 55 55 ALA CB C 13 17.978 0.02 . 1 . . . . A 55 ALA CB . 34076 1 438 . 1 . 1 55 55 ALA N N 15 119.799 0.04 . 1 . . . . A 55 ALA N . 34076 1 439 . 1 . 1 56 56 THR H H 1 7.466 0.002 . 1 . . . . A 56 THR H . 34076 1 440 . 1 . 1 56 56 THR HA H 1 4.204 0.002 . 1 . . . . A 56 THR HA . 34076 1 441 . 1 . 1 56 56 THR HB H 1 4.204 0.002 . 1 . . . . A 56 THR HB . 34076 1 442 . 1 . 1 56 56 THR HG21 H 1 1.174 0.002 . 1 . . . . A 56 THR MG . 34076 1 443 . 1 . 1 56 56 THR HG22 H 1 1.174 0.002 . 1 . . . . A 56 THR MG . 34076 1 444 . 1 . 1 56 56 THR HG23 H 1 1.174 0.002 . 1 . . . . A 56 THR MG . 34076 1 445 . 1 . 1 56 56 THR CA C 13 63.727 0.02 . 1 . . . . A 56 THR CA . 34076 1 446 . 1 . 1 56 56 THR CB C 13 69.022 0.02 . 1 . . . . A 56 THR CB . 34076 1 447 . 1 . 1 56 56 THR CG2 C 13 21.639 0.02 . 1 . . . . A 56 THR CG2 . 34076 1 448 . 1 . 1 56 56 THR N N 15 109.042 0.04 . 1 . . . . A 56 THR N . 34076 1 449 . 1 . 1 57 57 SER H H 1 7.706 0.002 . 1 . . . . A 57 SER H . 34076 1 450 . 1 . 1 57 57 SER HA H 1 4.578 0.002 . 1 . . . . A 57 SER HA . 34076 1 451 . 1 . 1 57 57 SER HB2 H 1 3.868 0.002 . 2 . . . . A 57 SER HB2 . 34076 1 452 . 1 . 1 57 57 SER HB3 H 1 3.791 0.002 . 2 . . . . A 57 SER HB3 . 34076 1 453 . 1 . 1 57 57 SER CA C 13 59.198 0.02 . 1 . . . . A 57 SER CA . 34076 1 454 . 1 . 1 57 57 SER CB C 13 64.388 0.02 . 1 . . . . A 57 SER CB . 34076 1 455 . 1 . 1 57 57 SER N N 15 113.839 0.04 . 1 . . . . A 57 SER N . 34076 1 456 . 1 . 1 58 58 GLY H H 1 7.933 0.002 . 1 . . . . A 58 GLY H . 34076 1 457 . 1 . 1 58 58 GLY HA2 H 1 3.513 0.002 . 2 . . . . A 58 GLY HA2 . 34076 1 458 . 1 . 1 58 58 GLY HA3 H 1 4.341 0.002 . 2 . . . . A 58 GLY HA3 . 34076 1 459 . 1 . 1 58 58 GLY CA C 13 44.203 0.02 . 1 . . . . A 58 GLY CA . 34076 1 460 . 1 . 1 58 58 GLY N N 15 113.177 0.04 . 1 . . . . A 58 GLY N . 34076 1 461 . 1 . 1 59 59 CYS H H 1 8.415 0.002 . 1 . . . . A 59 CYS H . 34076 1 462 . 1 . 1 59 59 CYS HA H 1 4.899 0.002 . 1 . . . . A 59 CYS HA . 34076 1 463 . 1 . 1 59 59 CYS CA C 13 59.610 0.02 . 1 . . . . A 59 CYS CA . 34076 1 464 . 1 . 1 59 59 CYS N N 15 123.100 0.04 . 1 . . . . A 59 CYS N . 34076 1 465 . 1 . 1 60 60 ASN H H 1 9.316 0.002 . 1 . . . . A 60 ASN H . 34076 1 466 . 1 . 1 60 60 ASN HA H 1 5.243 0.002 . 1 . . . . A 60 ASN HA . 34076 1 467 . 1 . 1 60 60 ASN HB2 H 1 2.371 0.002 . 2 . . . . A 60 ASN HB2 . 34076 1 468 . 1 . 1 60 60 ASN HB3 H 1 3.112 0.002 . 2 . . . . A 60 ASN HB3 . 34076 1 469 . 1 . 1 60 60 ASN HD21 H 1 6.935 0.002 . 2 . . . . A 60 ASN HD21 . 34076 1 470 . 1 . 1 60 60 ASN HD22 H 1 7.594 0.002 . 2 . . . . A 60 ASN HD22 . 34076 1 471 . 1 . 1 60 60 ASN CA C 13 52.681 0.02 . 1 . . . . A 60 ASN CA . 34076 1 472 . 1 . 1 60 60 ASN CB C 13 39.835 0.02 . 1 . . . . A 60 ASN CB . 34076 1 473 . 1 . 1 60 60 ASN N N 15 130.074 0.04 . 1 . . . . A 60 ASN N . 34076 1 474 . 1 . 1 60 60 ASN ND2 N 15 113.502 0.04 . 1 . . . . A 60 ASN ND2 . 34076 1 475 . 1 . 1 61 61 CYS H H 1 8.869 0.002 . 1 . . . . A 61 CYS H . 34076 1 476 . 1 . 1 61 61 CYS HA H 1 4.392 0.002 . 1 . . . . A 61 CYS HA . 34076 1 477 . 1 . 1 61 61 CYS HB2 H 1 2.832 0.002 . 2 . . . . A 61 CYS HB2 . 34076 1 478 . 1 . 1 61 61 CYS HB3 H 1 3.680 0.002 . 2 . . . . A 61 CYS HB3 . 34076 1 479 . 1 . 1 61 61 CYS CA C 13 60.656 0.02 . 1 . . . . A 61 CYS CA . 34076 1 480 . 1 . 1 61 61 CYS CB C 13 29.708 0.02 . 1 . . . . A 61 CYS CB . 34076 1 481 . 1 . 1 61 61 CYS N N 15 121.703 0.04 . 1 . . . . A 61 CYS N . 34076 1 482 . 1 . 1 62 62 THR H H 1 8.731 0.002 . 1 . . . . A 62 THR H . 34076 1 483 . 1 . 1 62 62 THR HA H 1 4.693 0.002 . 1 . . . . A 62 THR HA . 34076 1 484 . 1 . 1 62 62 THR HB H 1 4.493 0.002 . 1 . . . . A 62 THR HB . 34076 1 485 . 1 . 1 62 62 THR HG21 H 1 1.178 0.002 . 1 . . . . A 62 THR MG . 34076 1 486 . 1 . 1 62 62 THR HG22 H 1 1.178 0.002 . 1 . . . . A 62 THR MG . 34076 1 487 . 1 . 1 62 62 THR HG23 H 1 1.178 0.002 . 1 . . . . A 62 THR MG . 34076 1 488 . 1 . 1 62 62 THR CA C 13 59.819 0.02 . 1 . . . . A 62 THR CA . 34076 1 489 . 1 . 1 62 62 THR CB C 13 69.667 0.02 . 1 . . . . A 62 THR CB . 34076 1 490 . 1 . 1 62 62 THR CG2 C 13 21.313 0.02 . 1 . . . . A 62 THR CG2 . 34076 1 491 . 1 . 1 62 62 THR N N 15 113.650 0.04 . 1 . . . . A 62 THR N . 34076 1 492 . 1 . 1 63 63 ASP H H 1 8.008 0.002 . 1 . . . . A 63 ASP H . 34076 1 493 . 1 . 1 63 63 ASP HA H 1 4.348 0.002 . 1 . . . . A 63 ASP HA . 34076 1 494 . 1 . 1 63 63 ASP HB2 H 1 2.542 0.002 . 2 . . . . A 63 ASP HB2 . 34076 1 495 . 1 . 1 63 63 ASP HB3 H 1 2.606 0.002 . 2 . . . . A 63 ASP HB3 . 34076 1 496 . 1 . 1 63 63 ASP CA C 13 56.153 0.02 . 1 . . . . A 63 ASP CA . 34076 1 497 . 1 . 1 63 63 ASP CB C 13 40.237 0.02 . 1 . . . . A 63 ASP CB . 34076 1 498 . 1 . 1 63 63 ASP N N 15 114.819 0.04 . 1 . . . . A 63 ASP N . 34076 1 499 . 1 . 1 64 64 ASP H H 1 7.436 0.002 . 1 . . . . A 64 ASP H . 34076 1 500 . 1 . 1 64 64 ASP HA H 1 4.501 0.002 . 1 . . . . A 64 ASP HA . 34076 1 501 . 1 . 1 64 64 ASP HB2 H 1 2.429 0.002 . 2 . . . . A 64 ASP HB2 . 34076 1 502 . 1 . 1 64 64 ASP HB3 H 1 3.198 0.002 . 2 . . . . A 64 ASP HB3 . 34076 1 503 . 1 . 1 64 64 ASP CA C 13 52.904 0.02 . 1 . . . . A 64 ASP CA . 34076 1 504 . 1 . 1 64 64 ASP CB C 13 40.105 0.02 . 1 . . . . A 64 ASP CB . 34076 1 505 . 1 . 1 64 64 ASP N N 15 115.066 0.04 . 1 . . . . A 64 ASP N . 34076 1 506 . 1 . 1 65 65 CYS H H 1 7.351 0.002 . 1 . . . . A 65 CYS H . 34076 1 507 . 1 . 1 65 65 CYS HA H 1 3.623 0.002 . 1 . . . . A 65 CYS HA . 34076 1 508 . 1 . 1 65 65 CYS HB2 H 1 2.871 0.002 . 2 . . . . A 65 CYS HB2 . 34076 1 509 . 1 . 1 65 65 CYS HB3 H 1 3.427 0.002 . 2 . . . . A 65 CYS HB3 . 34076 1 510 . 1 . 1 65 65 CYS CA C 13 62.829 0.02 . 1 . . . . A 65 CYS CA . 34076 1 511 . 1 . 1 65 65 CYS CB C 13 31.272 0.02 . 1 . . . . A 65 CYS CB . 34076 1 512 . 1 . 1 65 65 CYS N N 15 122.895 0.04 . 1 . . . . A 65 CYS N . 34076 1 513 . 1 . 1 66 66 LYS H H 1 7.511 0.002 . 1 . . . . A 66 LYS H . 34076 1 514 . 1 . 1 66 66 LYS HA H 1 4.367 0.002 . 1 . . . . A 66 LYS HA . 34076 1 515 . 1 . 1 66 66 LYS HB2 H 1 1.349 0.002 . 2 . . . . A 66 LYS HB2 . 34076 1 516 . 1 . 1 66 66 LYS HB3 H 1 1.712 0.002 . 2 . . . . A 66 LYS HB3 . 34076 1 517 . 1 . 1 66 66 LYS HG2 H 1 1.085 0.002 . 2 . . . . A 66 LYS HG2 . 34076 1 518 . 1 . 1 66 66 LYS HG3 H 1 1.346 0.002 . 2 . . . . A 66 LYS HG3 . 34076 1 519 . 1 . 1 66 66 LYS HD2 H 1 1.556 0.002 . 2 . . . . A 66 LYS HD2 . 34076 1 520 . 1 . 1 66 66 LYS HD3 H 1 1.556 0.002 . 2 . . . . A 66 LYS HD3 . 34076 1 521 . 1 . 1 66 66 LYS HE2 H 1 2.764 0.002 . 2 . . . . A 66 LYS HE2 . 34076 1 522 . 1 . 1 66 66 LYS HE3 H 1 2.864 0.002 . 2 . . . . A 66 LYS HE3 . 34076 1 523 . 1 . 1 66 66 LYS CA C 13 54.949 0.02 . 1 . . . . A 66 LYS CA . 34076 1 524 . 1 . 1 66 66 LYS CB C 13 32.765 0.02 . 1 . . . . A 66 LYS CB . 34076 1 525 . 1 . 1 66 66 LYS CG C 13 24.322 0.02 . 1 . . . . A 66 LYS CG . 34076 1 526 . 1 . 1 66 66 LYS CD C 13 29.377 0.02 . 1 . . . . A 66 LYS CD . 34076 1 527 . 1 . 1 66 66 LYS CE C 13 42.225 0.02 . 1 . . . . A 66 LYS CE . 34076 1 528 . 1 . 1 66 66 LYS N N 15 126.883 0.04 . 1 . . . . A 66 LYS N . 34076 1 529 . 1 . 1 67 67 CYS H H 1 9.658 0.002 . 1 . . . . A 67 CYS H . 34076 1 530 . 1 . 1 67 67 CYS HA H 1 4.340 0.002 . 1 . . . . A 67 CYS HA . 34076 1 531 . 1 . 1 67 67 CYS HB2 H 1 2.702 0.002 . 2 . . . . A 67 CYS HB2 . 34076 1 532 . 1 . 1 67 67 CYS HB3 H 1 3.389 0.002 . 2 . . . . A 67 CYS HB3 . 34076 1 533 . 1 . 1 67 67 CYS CA C 13 60.085 0.02 . 1 . . . . A 67 CYS CA . 34076 1 534 . 1 . 1 67 67 CYS CB C 13 31.131 0.02 . 1 . . . . A 67 CYS CB . 34076 1 535 . 1 . 1 67 67 CYS N N 15 129.281 0.04 . 1 . . . . A 67 CYS N . 34076 1 536 . 1 . 1 68 68 GLN H H 1 9.456 0.002 . 1 . . . . A 68 GLN H . 34076 1 537 . 1 . 1 68 68 GLN HA H 1 4.098 0.002 . 1 . . . . A 68 GLN HA . 34076 1 538 . 1 . 1 68 68 GLN HB2 H 1 1.974 0.002 . 2 . . . . A 68 GLN HB2 . 34076 1 539 . 1 . 1 68 68 GLN HB3 H 1 2.365 0.002 . 2 . . . . A 68 GLN HB3 . 34076 1 540 . 1 . 1 68 68 GLN HG2 H 1 2.440 0.002 . 2 . . . . A 68 GLN HG2 . 34076 1 541 . 1 . 1 68 68 GLN HG3 H 1 2.440 0.002 . 2 . . . . A 68 GLN HG3 . 34076 1 542 . 1 . 1 68 68 GLN HE21 H 1 6.886 0.002 . 2 . . . . A 68 GLN HE21 . 34076 1 543 . 1 . 1 68 68 GLN HE22 H 1 7.531 0.002 . 2 . . . . A 68 GLN HE22 . 34076 1 544 . 1 . 1 68 68 GLN CA C 13 55.816 0.02 . 1 . . . . A 68 GLN CA . 34076 1 545 . 1 . 1 68 68 GLN CB C 13 27.262 0.02 . 1 . . . . A 68 GLN CB . 34076 1 546 . 1 . 1 68 68 GLN CG C 13 34.206 0.02 . 1 . . . . A 68 GLN CG . 34076 1 547 . 1 . 1 68 68 GLN N N 15 129.299 0.04 . 1 . . . . A 68 GLN N . 34076 1 548 . 1 . 1 68 68 GLN NE2 N 15 112.346 0.04 . 1 . . . . A 68 GLN NE2 . 34076 1 549 . 1 . 1 69 69 SER H H 1 9.338 0.002 . 1 . . . . A 69 SER H . 34076 1 550 . 1 . 1 69 69 SER HA H 1 4.584 0.002 . 1 . . . . A 69 SER HA . 34076 1 551 . 1 . 1 69 69 SER HB2 H 1 3.945 0.002 . 2 . . . . A 69 SER HB2 . 34076 1 552 . 1 . 1 69 69 SER HB3 H 1 3.945 0.002 . 2 . . . . A 69 SER HB3 . 34076 1 553 . 1 . 1 69 69 SER CA C 13 61.163 0.02 . 1 . . . . A 69 SER CA . 34076 1 554 . 1 . 1 69 69 SER CB C 13 63.260 0.02 . 1 . . . . A 69 SER CB . 34076 1 555 . 1 . 1 69 69 SER N N 15 117.248 0.04 . 1 . . . . A 69 SER N . 34076 1 556 . 1 . 1 70 70 CYS H H 1 7.478 0.002 . 1 . . . . A 70 CYS H . 34076 1 557 . 1 . 1 70 70 CYS HA H 1 5.098 0.002 . 1 . . . . A 70 CYS HA . 34076 1 558 . 1 . 1 70 70 CYS HB2 H 1 3.445 0.002 . 2 . . . . A 70 CYS HB2 . 34076 1 559 . 1 . 1 70 70 CYS HB3 H 1 3.125 0.002 . 2 . . . . A 70 CYS HB3 . 34076 1 560 . 1 . 1 70 70 CYS CA C 13 57.245 0.02 . 1 . . . . A 70 CYS CA . 34076 1 561 . 1 . 1 70 70 CYS CB C 13 32.723 0.02 . 1 . . . . A 70 CYS CB . 34076 1 562 . 1 . 1 70 70 CYS N N 15 113.534 0.04 . 1 . . . . A 70 CYS N . 34076 1 563 . 1 . 1 71 71 SER H H 1 7.200 0.002 . 1 . . . . A 71 SER H . 34076 1 564 . 1 . 1 71 71 SER HA H 1 4.658 0.002 . 1 . . . . A 71 SER HA . 34076 1 565 . 1 . 1 71 71 SER HB2 H 1 3.882 0.002 . 2 . . . . A 71 SER HB2 . 34076 1 566 . 1 . 1 71 71 SER HB3 H 1 3.695 0.002 . 2 . . . . A 71 SER HB3 . 34076 1 567 . 1 . 1 71 71 SER CA C 13 58.476 0.02 . 1 . . . . A 71 SER CA . 34076 1 568 . 1 . 1 71 71 SER CB C 13 64.731 0.02 . 1 . . . . A 71 SER CB . 34076 1 569 . 1 . 1 71 71 SER N N 15 118.099 0.04 . 1 . . . . A 71 SER N . 34076 1 570 . 1 . 1 72 72 THR H H 1 8.662 0.002 . 1 . . . . A 72 THR H . 34076 1 571 . 1 . 1 72 72 THR HA H 1 4.114 0.002 . 1 . . . . A 72 THR HA . 34076 1 572 . 1 . 1 72 72 THR HB H 1 4.181 0.002 . 1 . . . . A 72 THR HB . 34076 1 573 . 1 . 1 72 72 THR HG21 H 1 1.242 0.002 . 1 . . . . A 72 THR MG . 34076 1 574 . 1 . 1 72 72 THR HG22 H 1 1.242 0.002 . 1 . . . . A 72 THR MG . 34076 1 575 . 1 . 1 72 72 THR HG23 H 1 1.242 0.002 . 1 . . . . A 72 THR MG . 34076 1 576 . 1 . 1 72 72 THR CA C 13 62.486 0.02 . 1 . . . . A 72 THR CA . 34076 1 577 . 1 . 1 72 72 THR CB C 13 69.125 0.02 . 1 . . . . A 72 THR CB . 34076 1 578 . 1 . 1 72 72 THR CG2 C 13 21.745 0.02 . 1 . . . . A 72 THR CG2 . 34076 1 579 . 1 . 1 72 72 THR N N 15 117.040 0.04 . 1 . . . . A 72 THR N . 34076 1 580 . 1 . 1 73 73 ALA H H 1 8.056 0.002 . 1 . . . . A 73 ALA H . 34076 1 581 . 1 . 1 73 73 ALA HA H 1 4.294 0.002 . 1 . . . . A 73 ALA HA . 34076 1 582 . 1 . 1 73 73 ALA HB1 H 1 1.337 0.002 . 1 . . . . A 73 ALA MB . 34076 1 583 . 1 . 1 73 73 ALA HB2 H 1 1.337 0.002 . 1 . . . . A 73 ALA MB . 34076 1 584 . 1 . 1 73 73 ALA HB3 H 1 1.337 0.002 . 1 . . . . A 73 ALA MB . 34076 1 585 . 1 . 1 73 73 ALA CA C 13 51.952 0.02 . 1 . . . . A 73 ALA CA . 34076 1 586 . 1 . 1 73 73 ALA CB C 13 19.560 0.02 . 1 . . . . A 73 ALA CB . 34076 1 587 . 1 . 1 73 73 ALA N N 15 125.998 0.04 . 1 . . . . A 73 ALA N . 34076 1 588 . 1 . 1 74 74 CYS H H 1 8.429 0.002 . 1 . . . . A 74 CYS H . 34076 1 589 . 1 . 1 74 74 CYS HA H 1 3.782 0.002 . 1 . . . . A 74 CYS HA . 34076 1 590 . 1 . 1 74 74 CYS HB2 H 1 2.999 0.002 . 2 . . . . A 74 CYS HB2 . 34076 1 591 . 1 . 1 74 74 CYS HB3 H 1 2.212 0.002 . 2 . . . . A 74 CYS HB3 . 34076 1 592 . 1 . 1 74 74 CYS CA C 13 62.567 0.02 . 1 . . . . A 74 CYS CA . 34076 1 593 . 1 . 1 74 74 CYS CB C 13 31.927 0.02 . 1 . . . . A 74 CYS CB . 34076 1 594 . 1 . 1 74 74 CYS N N 15 123.103 0.04 . 1 . . . . A 74 CYS N . 34076 1 595 . 1 . 1 75 75 LYS H H 1 9.589 0.002 . 1 . . . . A 75 LYS H . 34076 1 596 . 1 . 1 75 75 LYS HA H 1 4.345 0.002 . 1 . . . . A 75 LYS HA . 34076 1 597 . 1 . 1 75 75 LYS HB2 H 1 2.025 0.002 . 2 . . . . A 75 LYS HB2 . 34076 1 598 . 1 . 1 75 75 LYS HB3 H 1 1.720 0.002 . 2 . . . . A 75 LYS HB3 . 34076 1 599 . 1 . 1 75 75 LYS HG2 H 1 1.477 0.002 . 2 . . . . A 75 LYS HG2 . 34076 1 600 . 1 . 1 75 75 LYS HG3 H 1 1.662 0.002 . 2 . . . . A 75 LYS HG3 . 34076 1 601 . 1 . 1 75 75 LYS HD2 H 1 1.523 0.002 . 2 . . . . A 75 LYS HD2 . 34076 1 602 . 1 . 1 75 75 LYS HD3 H 1 1.523 0.002 . 2 . . . . A 75 LYS HD3 . 34076 1 603 . 1 . 1 75 75 LYS HE2 H 1 2.953 0.002 . 2 . . . . A 75 LYS HE2 . 34076 1 604 . 1 . 1 75 75 LYS HE3 H 1 2.955 0.002 . 2 . . . . A 75 LYS HE3 . 34076 1 605 . 1 . 1 75 75 LYS CA C 13 56.397 0.02 . 1 . . . . A 75 LYS CA . 34076 1 606 . 1 . 1 75 75 LYS CB C 13 32.684 0.02 . 1 . . . . A 75 LYS CB . 34076 1 607 . 1 . 1 75 75 LYS CG C 13 25.414 0.02 . 1 . . . . A 75 LYS CG . 34076 1 608 . 1 . 1 75 75 LYS CD C 13 28.728 0.02 . 1 . . . . A 75 LYS CD . 34076 1 609 . 1 . 1 75 75 LYS CE C 13 42.349 0.02 . 1 . . . . A 75 LYS CE . 34076 1 610 . 1 . 1 75 75 LYS N N 15 128.045 0.04 . 1 . . . . A 75 LYS N . 34076 1 611 . 1 . 1 76 76 CYS H H 1 9.263 0.002 . 1 . . . . A 76 CYS H . 34076 1 612 . 1 . 1 76 76 CYS HA H 1 4.102 0.002 . 1 . . . . A 76 CYS HA . 34076 1 613 . 1 . 1 76 76 CYS HB2 H 1 3.271 0.002 . 2 . . . . A 76 CYS HB2 . 34076 1 614 . 1 . 1 76 76 CYS HB3 H 1 2.844 0.002 . 2 . . . . A 76 CYS HB3 . 34076 1 615 . 1 . 1 76 76 CYS CA C 13 62.548 0.02 . 1 . . . . A 76 CYS CA . 34076 1 616 . 1 . 1 76 76 CYS CB C 13 30.990 0.02 . 1 . . . . A 76 CYS CB . 34076 1 617 . 1 . 1 76 76 CYS N N 15 126.690 0.04 . 1 . . . . A 76 CYS N . 34076 1 618 . 1 . 1 77 77 ALA H H 1 7.333 0.002 . 1 . . . . A 77 ALA H . 34076 1 619 . 1 . 1 77 77 ALA HA H 1 4.603 0.002 . 1 . . . . A 77 ALA HA . 34076 1 620 . 1 . 1 77 77 ALA HB1 H 1 1.355 0.002 . 1 . . . . A 77 ALA MB . 34076 1 621 . 1 . 1 77 77 ALA HB2 H 1 1.355 0.002 . 1 . . . . A 77 ALA MB . 34076 1 622 . 1 . 1 77 77 ALA HB3 H 1 1.355 0.002 . 1 . . . . A 77 ALA MB . 34076 1 623 . 1 . 1 77 77 ALA CA C 13 50.670 0.02 . 1 . . . . A 77 ALA CA . 34076 1 624 . 1 . 1 77 77 ALA CB C 13 22.135 0.02 . 1 . . . . A 77 ALA CB . 34076 1 625 . 1 . 1 77 77 ALA N N 15 119.917 0.04 . 1 . . . . A 77 ALA N . 34076 1 626 . 1 . 1 78 78 ALA H H 1 8.359 0.002 . 1 . . . . A 78 ALA H . 34076 1 627 . 1 . 1 78 78 ALA HA H 1 4.072 0.002 . 1 . . . . A 78 ALA HA . 34076 1 628 . 1 . 1 78 78 ALA HB1 H 1 1.358 0.002 . 1 . . . . A 78 ALA MB . 34076 1 629 . 1 . 1 78 78 ALA HB2 H 1 1.358 0.002 . 1 . . . . A 78 ALA MB . 34076 1 630 . 1 . 1 78 78 ALA HB3 H 1 1.358 0.002 . 1 . . . . A 78 ALA MB . 34076 1 631 . 1 . 1 78 78 ALA CA C 13 53.831 0.02 . 1 . . . . A 78 ALA CA . 34076 1 632 . 1 . 1 78 78 ALA CB C 13 17.627 0.02 . 1 . . . . A 78 ALA CB . 34076 1 633 . 1 . 1 78 78 ALA N N 15 120.868 0.04 . 1 . . . . A 78 ALA N . 34076 1 634 . 1 . 1 79 79 GLY H H 1 8.538 0.002 . 1 . . . . A 79 GLY H . 34076 1 635 . 1 . 1 79 79 GLY HA2 H 1 4.026 0.002 . 2 . . . . A 79 GLY HA2 . 34076 1 636 . 1 . 1 79 79 GLY HA3 H 1 3.799 0.002 . 2 . . . . A 79 GLY HA3 . 34076 1 637 . 1 . 1 79 79 GLY CA C 13 45.736 0.02 . 1 . . . . A 79 GLY CA . 34076 1 638 . 1 . 1 79 79 GLY N N 15 109.117 0.04 . 1 . . . . A 79 GLY N . 34076 1 639 . 1 . 1 80 80 SER H H 1 8.244 0.002 . 1 . . . . A 80 SER H . 34076 1 640 . 1 . 1 80 80 SER HA H 1 4.563 0.002 . 1 . . . . A 80 SER HA . 34076 1 641 . 1 . 1 80 80 SER HB2 H 1 3.640 0.002 . 2 . . . . A 80 SER HB2 . 34076 1 642 . 1 . 1 80 80 SER HB3 H 1 3.485 0.002 . 2 . . . . A 80 SER HB3 . 34076 1 643 . 1 . 1 80 80 SER CA C 13 56.558 0.02 . 1 . . . . A 80 SER CA . 34076 1 644 . 1 . 1 80 80 SER CB C 13 63.436 0.02 . 1 . . . . A 80 SER CB . 34076 1 645 . 1 . 1 80 80 SER N N 15 115.783 0.04 . 1 . . . . A 80 SER N . 34076 1 646 . 1 . 1 81 81 CYS H H 1 8.634 0.002 . 1 . . . . A 81 CYS H . 34076 1 647 . 1 . 1 81 81 CYS HA H 1 4.949 0.002 . 1 . . . . A 81 CYS HA . 34076 1 648 . 1 . 1 81 81 CYS HB2 H 1 2.795 0.002 . 2 . . . . A 81 CYS HB2 . 34076 1 649 . 1 . 1 81 81 CYS HB3 H 1 2.678 0.002 . 2 . . . . A 81 CYS HB3 . 34076 1 650 . 1 . 1 81 81 CYS CA C 13 59.211 0.02 . 1 . . . . A 81 CYS CA . 34076 1 651 . 1 . 1 81 81 CYS CB C 13 29.836 0.02 . 1 . . . . A 81 CYS CB . 34076 1 652 . 1 . 1 81 81 CYS N N 15 126.961 0.04 . 1 . . . . A 81 CYS N . 34076 1 653 . 1 . 1 82 82 LYS H H 1 10.533 0.002 . 1 . . . . A 82 LYS H . 34076 1 654 . 1 . 1 82 82 LYS HA H 1 4.447 0.002 . 1 . . . . A 82 LYS HA . 34076 1 655 . 1 . 1 82 82 LYS HB2 H 1 1.892 0.002 . 2 . . . . A 82 LYS HB2 . 34076 1 656 . 1 . 1 82 82 LYS HB3 H 1 1.885 0.002 . 2 . . . . A 82 LYS HB3 . 34076 1 657 . 1 . 1 82 82 LYS HG2 H 1 1.482 0.002 . 2 . . . . A 82 LYS HG2 . 34076 1 658 . 1 . 1 82 82 LYS HG3 H 1 1.592 0.002 . 2 . . . . A 82 LYS HG3 . 34076 1 659 . 1 . 1 82 82 LYS HD2 H 1 1.603 0.002 . 2 . . . . A 82 LYS HD2 . 34076 1 660 . 1 . 1 82 82 LYS HD3 H 1 1.603 0.002 . 2 . . . . A 82 LYS HD3 . 34076 1 661 . 1 . 1 82 82 LYS HE2 H 1 2.952 0.002 . 2 . . . . A 82 LYS HE2 . 34076 1 662 . 1 . 1 82 82 LYS HE3 H 1 2.952 0.002 . 2 . . . . A 82 LYS HE3 . 34076 1 663 . 1 . 1 82 82 LYS CA C 13 56.353 0.02 . 1 . . . . A 82 LYS CA . 34076 1 664 . 1 . 1 82 82 LYS CB C 13 33.082 0.02 . 1 . . . . A 82 LYS CB . 34076 1 665 . 1 . 1 82 82 LYS CG C 13 24.440 0.02 . 1 . . . . A 82 LYS CG . 34076 1 666 . 1 . 1 82 82 LYS CD C 13 28.704 0.02 . 1 . . . . A 82 LYS CD . 34076 1 667 . 1 . 1 82 82 LYS CE C 13 41.924 0.02 . 1 . . . . A 82 LYS CE . 34076 1 668 . 1 . 1 82 82 LYS N N 15 135.349 0.04 . 1 . . . . A 82 LYS N . 34076 1 669 . 1 . 1 83 83 CYS H H 1 8.633 0.002 . 1 . . . . A 83 CYS H . 34076 1 670 . 1 . 1 83 83 CYS HA H 1 4.788 0.002 . 1 . . . . A 83 CYS HA . 34076 1 671 . 1 . 1 83 83 CYS HB2 H 1 3.305 0.002 . 2 . . . . A 83 CYS HB2 . 34076 1 672 . 1 . 1 83 83 CYS HB3 H 1 2.505 0.002 . 2 . . . . A 83 CYS HB3 . 34076 1 673 . 1 . 1 83 83 CYS CA C 13 58.195 0.02 . 1 . . . . A 83 CYS CA . 34076 1 674 . 1 . 1 83 83 CYS CB C 13 36.423 0.02 . 1 . . . . A 83 CYS CB . 34076 1 675 . 1 . 1 83 83 CYS N N 15 119.658 0.04 . 1 . . . . A 83 CYS N . 34076 1 676 . 1 . 1 84 84 GLY H H 1 8.579 0.002 . 1 . . . . A 84 GLY H . 34076 1 677 . 1 . 1 84 84 GLY HA2 H 1 4.287 0.002 . 2 . . . . A 84 GLY HA2 . 34076 1 678 . 1 . 1 84 84 GLY HA3 H 1 3.811 0.002 . 2 . . . . A 84 GLY HA3 . 34076 1 679 . 1 . 1 84 84 GLY CA C 13 45.224 0.02 . 1 . . . . A 84 GLY CA . 34076 1 680 . 1 . 1 84 84 GLY N N 15 116.756 0.04 . 1 . . . . A 84 GLY N . 34076 1 681 . 1 . 1 85 85 LYS H H 1 8.148 0.002 . 1 . . . . A 85 LYS H . 34076 1 682 . 1 . 1 85 85 LYS HA H 1 4.392 0.002 . 1 . . . . A 85 LYS HA . 34076 1 683 . 1 . 1 85 85 LYS HB2 H 1 1.904 0.002 . 2 . . . . A 85 LYS HB2 . 34076 1 684 . 1 . 1 85 85 LYS HB3 H 1 1.993 0.002 . 2 . . . . A 85 LYS HB3 . 34076 1 685 . 1 . 1 85 85 LYS HG2 H 1 1.421 0.002 . 2 . . . . A 85 LYS HG2 . 34076 1 686 . 1 . 1 85 85 LYS HG3 H 1 1.752 0.002 . 2 . . . . A 85 LYS HG3 . 34076 1 687 . 1 . 1 85 85 LYS HD2 H 1 1.657 0.002 . 2 . . . . A 85 LYS HD2 . 34076 1 688 . 1 . 1 85 85 LYS HD3 H 1 1.656 0.002 . 2 . . . . A 85 LYS HD3 . 34076 1 689 . 1 . 1 85 85 LYS HE2 H 1 3.054 0.002 . 2 . . . . A 85 LYS HE2 . 34076 1 690 . 1 . 1 85 85 LYS HE3 H 1 3.054 0.002 . 2 . . . . A 85 LYS HE3 . 34076 1 691 . 1 . 1 85 85 LYS CA C 13 56.110 0.02 . 1 . . . . A 85 LYS CA . 34076 1 692 . 1 . 1 85 85 LYS CB C 13 31.531 0.02 . 1 . . . . A 85 LYS CB . 34076 1 693 . 1 . 1 85 85 LYS CG C 13 24.996 0.02 . 1 . . . . A 85 LYS CG . 34076 1 694 . 1 . 1 85 85 LYS CD C 13 27.305 0.02 . 1 . . . . A 85 LYS CD . 34076 1 695 . 1 . 1 85 85 LYS CE C 13 41.942 0.02 . 1 . . . . A 85 LYS CE . 34076 1 696 . 1 . 1 85 85 LYS N N 15 120.142 0.04 . 1 . . . . A 85 LYS N . 34076 1 697 . 1 . 1 86 86 GLY H H 1 9.524 0.002 . 1 . . . . A 86 GLY H . 34076 1 698 . 1 . 1 86 86 GLY HA2 H 1 4.489 0.002 . 2 . . . . A 86 GLY HA2 . 34076 1 699 . 1 . 1 86 86 GLY HA3 H 1 3.603 0.002 . 2 . . . . A 86 GLY HA3 . 34076 1 700 . 1 . 1 86 86 GLY CA C 13 44.641 0.02 . 1 . . . . A 86 GLY CA . 34076 1 701 . 1 . 1 86 86 GLY N N 15 113.681 0.04 . 1 . . . . A 86 GLY N . 34076 1 702 . 1 . 1 87 87 CYS H H 1 7.564 0.002 . 1 . . . . A 87 CYS H . 34076 1 703 . 1 . 1 87 87 CYS HA H 1 4.353 0.002 . 1 . . . . A 87 CYS HA . 34076 1 704 . 1 . 1 87 87 CYS HB2 H 1 3.782 0.002 . 2 . . . . A 87 CYS HB2 . 34076 1 705 . 1 . 1 87 87 CYS HB3 H 1 3.074 0.002 . 2 . . . . A 87 CYS HB3 . 34076 1 706 . 1 . 1 87 87 CYS CA C 13 54.351 0.02 . 1 . . . . A 87 CYS CA . 34076 1 707 . 1 . 1 87 87 CYS CB C 13 32.591 0.02 . 1 . . . . A 87 CYS CB . 34076 1 708 . 1 . 1 87 87 CYS N N 15 118.056 0.04 . 1 . . . . A 87 CYS N . 34076 1 709 . 1 . 1 88 88 THR H H 1 8.432 0.002 . 1 . . . . A 88 THR H . 34076 1 710 . 1 . 1 88 88 THR HA H 1 4.117 0.002 . 1 . . . . A 88 THR HA . 34076 1 711 . 1 . 1 88 88 THR HB H 1 4.449 0.002 . 1 . . . . A 88 THR HB . 34076 1 712 . 1 . 1 88 88 THR HG21 H 1 0.971 0.002 . 1 . . . . A 88 THR MG . 34076 1 713 . 1 . 1 88 88 THR HG22 H 1 0.971 0.002 . 1 . . . . A 88 THR MG . 34076 1 714 . 1 . 1 88 88 THR HG23 H 1 0.971 0.002 . 1 . . . . A 88 THR MG . 34076 1 715 . 1 . 1 88 88 THR CA C 13 59.423 0.02 . 1 . . . . A 88 THR CA . 34076 1 716 . 1 . 1 88 88 THR CB C 13 67.993 0.02 . 1 . . . . A 88 THR CB . 34076 1 717 . 1 . 1 88 88 THR CG2 C 13 20.680 0.02 . 1 . . . . A 88 THR CG2 . 34076 1 718 . 1 . 1 88 88 THR N N 15 112.844 0.04 . 1 . . . . A 88 THR N . 34076 1 719 . 1 . 1 89 89 GLY H H 1 6.885 0.002 . 1 . . . . A 89 GLY H . 34076 1 720 . 1 . 1 89 89 GLY HA2 H 1 4.575 0.002 . 2 . . . . A 89 GLY HA2 . 34076 1 721 . 1 . 1 89 89 GLY HA3 H 1 3.796 0.002 . 2 . . . . A 89 GLY HA3 . 34076 1 722 . 1 . 1 89 89 GLY CA C 13 44.584 0.02 . 1 . . . . A 89 GLY CA . 34076 1 723 . 1 . 1 89 89 GLY N N 15 110.219 0.04 . 1 . . . . A 89 GLY N . 34076 1 724 . 1 . 1 90 90 PRO HA H 1 4.487 0.002 . 1 . . . . A 90 PRO HA . 34076 1 725 . 1 . 1 90 90 PRO HB2 H 1 2.484 0.002 . 2 . . . . A 90 PRO HB2 . 34076 1 726 . 1 . 1 90 90 PRO HB3 H 1 1.968 0.002 . 2 . . . . A 90 PRO HB3 . 34076 1 727 . 1 . 1 90 90 PRO HG2 H 1 2.124 0.002 . 2 . . . . A 90 PRO HG2 . 34076 1 728 . 1 . 1 90 90 PRO HG3 H 1 2.182 0.002 . 2 . . . . A 90 PRO HG3 . 34076 1 729 . 1 . 1 90 90 PRO HD2 H 1 3.711 0.002 . 2 . . . . A 90 PRO HD2 . 34076 1 730 . 1 . 1 90 90 PRO HD3 H 1 3.849 0.002 . 2 . . . . A 90 PRO HD3 . 34076 1 731 . 1 . 1 90 90 PRO CA C 13 65.407 0.02 . 1 . . . . A 90 PRO CA . 34076 1 732 . 1 . 1 90 90 PRO CB C 13 32.608 0.02 . 1 . . . . A 90 PRO CB . 34076 1 733 . 1 . 1 90 90 PRO CG C 13 27.528 0.02 . 1 . . . . A 90 PRO CG . 34076 1 734 . 1 . 1 90 90 PRO CD C 13 49.443 0.02 . 1 . . . . A 90 PRO CD . 34076 1 735 . 1 . 1 91 91 ASP H H 1 8.397 0.002 . 1 . . . . A 91 ASP H . 34076 1 736 . 1 . 1 91 91 ASP HA H 1 4.420 0.002 . 1 . . . . A 91 ASP HA . 34076 1 737 . 1 . 1 91 91 ASP HB2 H 1 2.666 0.002 . 2 . . . . A 91 ASP HB2 . 34076 1 738 . 1 . 1 91 91 ASP HB3 H 1 2.556 0.002 . 2 . . . . A 91 ASP HB3 . 34076 1 739 . 1 . 1 91 91 ASP CA C 13 55.667 0.02 . 1 . . . . A 91 ASP CA . 34076 1 740 . 1 . 1 91 91 ASP CB C 13 40.032 0.02 . 1 . . . . A 91 ASP CB . 34076 1 741 . 1 . 1 91 91 ASP N N 15 113.049 0.04 . 1 . . . . A 91 ASP N . 34076 1 742 . 1 . 1 92 92 SER H H 1 7.940 0.002 . 1 . . . . A 92 SER H . 34076 1 743 . 1 . 1 92 92 SER HA H 1 4.587 0.002 . 1 . . . . A 92 SER HA . 34076 1 744 . 1 . 1 92 92 SER HB2 H 1 4.086 0.002 . 2 . . . . A 92 SER HB2 . 34076 1 745 . 1 . 1 92 92 SER HB3 H 1 3.607 0.002 . 2 . . . . A 92 SER HB3 . 34076 1 746 . 1 . 1 92 92 SER CA C 13 56.960 0.02 . 1 . . . . A 92 SER CA . 34076 1 747 . 1 . 1 92 92 SER CB C 13 64.982 0.02 . 1 . . . . A 92 SER CB . 34076 1 748 . 1 . 1 92 92 SER N N 15 110.618 0.04 . 1 . . . . A 92 SER N . 34076 1 749 . 1 . 1 93 93 CYS H H 1 7.159 0.002 . 1 . . . . A 93 CYS H . 34076 1 750 . 1 . 1 93 93 CYS HA H 1 4.261 0.002 . 1 . . . . A 93 CYS HA . 34076 1 751 . 1 . 1 93 93 CYS HB2 H 1 2.839 0.002 . 2 . . . . A 93 CYS HB2 . 34076 1 752 . 1 . 1 93 93 CYS HB3 H 1 2.839 0.002 . 2 . . . . A 93 CYS HB3 . 34076 1 753 . 1 . 1 93 93 CYS CA C 13 62.518 0.02 . 1 . . . . A 93 CYS CA . 34076 1 754 . 1 . 1 93 93 CYS CB C 13 31.653 0.02 . 1 . . . . A 93 CYS CB . 34076 1 755 . 1 . 1 93 93 CYS N N 15 125.502 0.04 . 1 . . . . A 93 CYS N . 34076 1 756 . 1 . 1 94 94 LYS H H 1 9.636 0.002 . 1 . . . . A 94 LYS H . 34076 1 757 . 1 . 1 94 94 LYS HA H 1 4.664 0.002 . 1 . . . . A 94 LYS HA . 34076 1 758 . 1 . 1 94 94 LYS HB2 H 1 2.117 0.002 . 2 . . . . A 94 LYS HB2 . 34076 1 759 . 1 . 1 94 94 LYS HB3 H 1 1.657 0.002 . 2 . . . . A 94 LYS HB3 . 34076 1 760 . 1 . 1 94 94 LYS HG2 H 1 1.411 0.002 . 2 . . . . A 94 LYS HG2 . 34076 1 761 . 1 . 1 94 94 LYS HG3 H 1 1.411 0.002 . 2 . . . . A 94 LYS HG3 . 34076 1 762 . 1 . 1 94 94 LYS HD2 H 1 1.542 0.002 . 2 . . . . A 94 LYS HD2 . 34076 1 763 . 1 . 1 94 94 LYS HD3 H 1 1.585 0.002 . 2 . . . . A 94 LYS HD3 . 34076 1 764 . 1 . 1 94 94 LYS HE2 H 1 2.779 0.002 . 2 . . . . A 94 LYS HE2 . 34076 1 765 . 1 . 1 94 94 LYS HE3 H 1 2.853 0.002 . 2 . . . . A 94 LYS HE3 . 34076 1 766 . 1 . 1 94 94 LYS CA C 13 54.899 0.02 . 1 . . . . A 94 LYS CA . 34076 1 767 . 1 . 1 94 94 LYS CB C 13 32.793 0.02 . 1 . . . . A 94 LYS CB . 34076 1 768 . 1 . 1 94 94 LYS CG C 13 23.997 0.02 . 1 . . . . A 94 LYS CG . 34076 1 769 . 1 . 1 94 94 LYS CD C 13 29.367 0.02 . 1 . . . . A 94 LYS CD . 34076 1 770 . 1 . 1 94 94 LYS CE C 13 42.092 0.02 . 1 . . . . A 94 LYS CE . 34076 1 771 . 1 . 1 94 94 LYS N N 15 130.379 0.04 . 1 . . . . A 94 LYS N . 34076 1 772 . 1 . 1 95 95 CYS H H 1 9.355 0.002 . 1 . . . . A 95 CYS H . 34076 1 773 . 1 . 1 95 95 CYS HA H 1 4.179 0.002 . 1 . . . . A 95 CYS HA . 34076 1 774 . 1 . 1 95 95 CYS HB2 H 1 3.103 0.002 . 2 . . . . A 95 CYS HB2 . 34076 1 775 . 1 . 1 95 95 CYS HB3 H 1 2.448 0.002 . 2 . . . . A 95 CYS HB3 . 34076 1 776 . 1 . 1 95 95 CYS CA C 13 61.836 0.02 . 1 . . . . A 95 CYS CA . 34076 1 777 . 1 . 1 95 95 CYS CB C 13 31.777 0.02 . 1 . . . . A 95 CYS CB . 34076 1 778 . 1 . 1 95 95 CYS N N 15 125.050 0.04 . 1 . . . . A 95 CYS N . 34076 1 779 . 1 . 1 96 96 ASP H H 1 8.220 0.002 . 1 . . . . A 96 ASP H . 34076 1 780 . 1 . 1 96 96 ASP HA H 1 4.879 0.002 . 1 . . . . A 96 ASP HA . 34076 1 781 . 1 . 1 96 96 ASP HB2 H 1 3.084 0.002 . 2 . . . . A 96 ASP HB2 . 34076 1 782 . 1 . 1 96 96 ASP HB3 H 1 2.347 0.002 . 2 . . . . A 96 ASP HB3 . 34076 1 783 . 1 . 1 96 96 ASP CA C 13 52.117 0.02 . 1 . . . . A 96 ASP CA . 34076 1 784 . 1 . 1 96 96 ASP CB C 13 40.971 0.02 . 1 . . . . A 96 ASP CB . 34076 1 785 . 1 . 1 96 96 ASP N N 15 119.251 0.04 . 1 . . . . A 96 ASP N . 34076 1 786 . 1 . 1 97 97 ARG H H 1 7.245 0.002 . 1 . . . . A 97 ARG H . 34076 1 787 . 1 . 1 97 97 ARG HA H 1 3.895 0.002 . 1 . . . . A 97 ARG HA . 34076 1 788 . 1 . 1 97 97 ARG HB2 H 1 1.988 0.002 . 2 . . . . A 97 ARG HB2 . 34076 1 789 . 1 . 1 97 97 ARG HB3 H 1 1.988 0.002 . 2 . . . . A 97 ARG HB3 . 34076 1 790 . 1 . 1 97 97 ARG HG2 H 1 1.620 0.002 . 2 . . . . A 97 ARG HG2 . 34076 1 791 . 1 . 1 97 97 ARG HD2 H 1 3.167 0.002 . 2 . . . . A 97 ARG HD2 . 34076 1 792 . 1 . 1 97 97 ARG HD3 H 1 3.279 0.002 . 2 . . . . A 97 ARG HD3 . 34076 1 793 . 1 . 1 97 97 ARG CA C 13 58.543 0.02 . 1 . . . . A 97 ARG CA . 34076 1 794 . 1 . 1 97 97 ARG CB C 13 30.144 0.02 . 1 . . . . A 97 ARG CB . 34076 1 795 . 1 . 1 97 97 ARG CG C 13 27.303 0.02 . 1 . . . . A 97 ARG CG . 34076 1 796 . 1 . 1 97 97 ARG CD C 13 43.927 0.02 . 1 . . . . A 97 ARG CD . 34076 1 797 . 1 . 1 97 97 ARG N N 15 112.116 0.04 . 1 . . . . A 97 ARG N . 34076 1 798 . 1 . 1 98 98 SER H H 1 8.590 0.002 . 1 . . . . A 98 SER H . 34076 1 799 . 1 . 1 98 98 SER HA H 1 4.396 0.002 . 1 . . . . A 98 SER HA . 34076 1 800 . 1 . 1 98 98 SER HB2 H 1 3.931 0.002 . 2 . . . . A 98 SER HB2 . 34076 1 801 . 1 . 1 98 98 SER HB3 H 1 3.765 0.002 . 2 . . . . A 98 SER HB3 . 34076 1 802 . 1 . 1 98 98 SER CA C 13 58.420 0.02 . 1 . . . . A 98 SER CA . 34076 1 803 . 1 . 1 98 98 SER CB C 13 64.201 0.02 . 1 . . . . A 98 SER CB . 34076 1 804 . 1 . 1 98 98 SER N N 15 114.090 0.04 . 1 . . . . A 98 SER N . 34076 1 805 . 1 . 1 99 99 CYS H H 1 7.205 0.002 . 1 . . . . A 99 CYS H . 34076 1 806 . 1 . 1 99 99 CYS HA H 1 4.113 0.002 . 1 . . . . A 99 CYS HA . 34076 1 807 . 1 . 1 99 99 CYS HB2 H 1 3.101 0.002 . 2 . . . . A 99 CYS HB2 . 34076 1 808 . 1 . 1 99 99 CYS HB3 H 1 2.903 0.002 . 2 . . . . A 99 CYS HB3 . 34076 1 809 . 1 . 1 99 99 CYS CA C 13 61.309 0.02 . 1 . . . . A 99 CYS CA . 34076 1 810 . 1 . 1 99 99 CYS CB C 13 29.624 0.02 . 1 . . . . A 99 CYS CB . 34076 1 811 . 1 . 1 99 99 CYS N N 15 124.369 0.04 . 1 . . . . A 99 CYS N . 34076 1 812 . 1 . 1 100 100 SER H H 1 8.417 0.002 . 1 . . . . A 100 SER H . 34076 1 813 . 1 . 1 100 100 SER HA H 1 4.382 0.002 . 1 . . . . A 100 SER HA . 34076 1 814 . 1 . 1 100 100 SER HB2 H 1 4.049 0.002 . 2 . . . . A 100 SER HB2 . 34076 1 815 . 1 . 1 100 100 SER HB3 H 1 3.924 0.002 . 2 . . . . A 100 SER HB3 . 34076 1 816 . 1 . 1 100 100 SER CA C 13 60.267 0.02 . 1 . . . . A 100 SER CA . 34076 1 817 . 1 . 1 100 100 SER CB C 13 62.774 0.02 . 1 . . . . A 100 SER CB . 34076 1 818 . 1 . 1 100 100 SER N N 15 124.061 0.04 . 1 . . . . A 100 SER N . 34076 1 819 . 1 . 1 101 101 CYS H H 1 7.428 0.002 . 1 . . . . A 101 CYS H . 34076 1 820 . 1 . 1 101 101 CYS HA H 1 4.747 0.002 . 1 . . . . A 101 CYS HA . 34076 1 821 . 1 . 1 101 101 CYS HB2 H 1 4.424 0.002 . 2 . . . . A 101 CYS HB2 . 34076 1 822 . 1 . 1 101 101 CYS HB3 H 1 3.025 0.002 . 2 . . . . A 101 CYS HB3 . 34076 1 823 . 1 . 1 101 101 CYS CA C 13 58.163 0.02 . 1 . . . . A 101 CYS CA . 34076 1 824 . 1 . 1 101 101 CYS CB C 13 33.947 0.02 . 1 . . . . A 101 CYS CB . 34076 1 825 . 1 . 1 101 101 CYS N N 15 118.250 0.04 . 1 . . . . A 101 CYS N . 34076 1 826 . 1 . 1 102 102 LYS H H 1 7.051 0.002 . 1 . . . . A 102 LYS H . 34076 1 827 . 1 . 1 102 102 LYS HA H 1 4.283 0.002 . 1 . . . . A 102 LYS HA . 34076 1 828 . 1 . 1 102 102 LYS HB2 H 1 1.734 0.002 . 2 . . . . A 102 LYS HB2 . 34076 1 829 . 1 . 1 102 102 LYS HB3 H 1 1.573 0.002 . 2 . . . . A 102 LYS HB3 . 34076 1 830 . 1 . 1 102 102 LYS HG2 H 1 1.290 0.002 . 2 . . . . A 102 LYS HG2 . 34076 1 831 . 1 . 1 102 102 LYS HG3 H 1 1.658 0.002 . 2 . . . . A 102 LYS HG3 . 34076 1 832 . 1 . 1 102 102 LYS HD2 H 1 1.254 0.002 . 2 . . . . A 102 LYS HD2 . 34076 1 833 . 1 . 1 102 102 LYS HD3 H 1 1.429 0.002 . 2 . . . . A 102 LYS HD3 . 34076 1 834 . 1 . 1 102 102 LYS HE2 H 1 2.563 0.002 . 2 . . . . A 102 LYS HE2 . 34076 1 835 . 1 . 1 102 102 LYS HE3 H 1 2.844 0.002 . 2 . . . . A 102 LYS HE3 . 34076 1 836 . 1 . 1 102 102 LYS CA C 13 55.862 0.02 . 1 . . . . A 102 LYS CA . 34076 1 837 . 1 . 1 102 102 LYS CB C 13 33.089 0.02 . 1 . . . . A 102 LYS CB . 34076 1 838 . 1 . 1 102 102 LYS CG C 13 23.932 0.02 . 1 . . . . A 102 LYS CG . 34076 1 839 . 1 . 1 102 102 LYS CD C 13 29.176 0.02 . 1 . . . . A 102 LYS CD . 34076 1 840 . 1 . 1 102 102 LYS CE C 13 43.398 0.02 . 1 . . . . A 102 LYS CE . 34076 1 841 . 1 . 1 102 102 LYS N N 15 125.753 0.04 . 1 . . . . A 102 LYS N . 34076 1 stop_ save_