################################### # 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 30727 _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 . _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-1H TOCSY' . . . 30727 1 2 '2D 1H-1H NOESY' . . . 30727 1 3 '2D DQF-COSY' . . . 30727 1 4 '2D 1H-1H TOCSY' . . . 30727 1 5 '2D 1H-1H TOCSY' . . . 30727 1 6 '2D 1H-1H TOCSY' . . . 30727 1 7 '2D 1H-1H TOCSY' . . . 30727 1 8 '2D 1H-1H TOCSY' . . . 30727 1 9 '2D 1H-1H NOESY' . . . 30727 1 10 '2D 1H-1H NOESY' . . . 30727 1 11 '2D 1H-1H NOESY' . . . 30727 1 12 '2D 1H-1H NOESY' . . . 30727 1 13 '2D 1H-1H NOESY' . . . 30727 1 14 '2D DQF-COSY' . . . 30727 1 15 '2D DQF-COSY' . . . 30727 1 16 '2D DQF-COSY' . . . 30727 1 17 '2D DQF-COSY' . . . 30727 1 18 '2D DQF-COSY' . . . 30727 1 19 '13C HMBC' . . . 30727 1 20 '13C HSQCTOCSY' . . . 30727 1 21 '2D 1H-13C HSQC' . . . 30727 1 22 '2D 1H-15N HSQC' . . . 30727 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 1 1 LYS HA H 1 4.055 0.000 . . . . . . A 1 LYS HA . 30727 1 2 . 1 . 1 1 1 LYS HB2 H 1 1.390 0.000 . . . . . . A 1 LYS HB2 . 30727 1 3 . 1 . 1 1 1 LYS HB3 H 1 1.740 0.001 . . . . . . A 1 LYS HB3 . 30727 1 4 . 1 . 1 1 1 LYS HG2 H 1 1.001 0.000 . . . . . . A 1 LYS HG2 . 30727 1 5 . 1 . 1 1 1 LYS HG3 H 1 1.231 0.001 . . . . . . A 1 LYS HG3 . 30727 1 6 . 1 . 1 1 1 LYS HD2 H 1 1.570 0.000 . . . . . . A 1 LYS HD2 . 30727 1 7 . 1 . 1 1 1 LYS HD3 H 1 1.619 0.000 . . . . . . A 1 LYS HD3 . 30727 1 8 . 1 . 1 1 1 LYS HE2 H 1 2.747 0.004 . . . . . . A 1 LYS HE2 . 30727 1 9 . 1 . 1 1 1 LYS HE3 H 1 2.795 0.004 . . . . . . A 1 LYS HE3 . 30727 1 10 . 1 . 1 1 1 LYS CA C 13 55.300 0.000 . . . . . . A 1 LYS CA . 30727 1 11 . 1 . 1 1 1 LYS CB C 13 33.050 0.000 . . . . . . A 1 LYS CB . 30727 1 12 . 1 . 1 1 1 LYS CG C 13 24.87 0.000 . . . . . . A 1 LYS CG . 30727 1 13 . 1 . 1 1 1 LYS CD C 13 29.950 0.000 . . . . . . A 1 LYS CD . 30727 1 14 . 1 . 1 1 1 LYS CE C 13 42.370 0.000 . . . . . . A 1 LYS CE . 30727 1 15 . 1 . 1 2 2 GLU H H 1 7.957 0.001 . . . . . . A 2 GLU H . 30727 1 16 . 1 . 1 2 2 GLU HB2 H 1 1.890 0.000 . . . . . . A 2 GLU HB2 . 30727 1 17 . 1 . 1 2 2 GLU HB3 H 1 2.115 0.001 . . . . . . A 2 GLU HB3 . 30727 1 18 . 1 . 1 2 2 GLU HG2 H 1 2.220 0.000 . . . . . . A 2 GLU HG2 . 30727 1 19 . 1 . 1 2 2 GLU HG3 H 1 2.312 0.006 . . . . . . A 2 GLU HG3 . 30727 1 20 . 1 . 1 2 2 GLU CB C 13 33.190 0.000 . . . . . . A 2 GLU CB . 30727 1 21 . 1 . 1 2 2 GLU CG C 13 35.700 0.000 . . . . . . A 2 GLU CG . 30727 1 22 . 1 . 1 2 2 GLU N N 15 120.510 0.000 . . . . . . A 2 GLU N . 30727 1 23 . 1 . 1 3 3 GLY H H 1 7.370 0.000 . . . . . . A 3 GLY H . 30727 1 24 . 1 . 1 3 3 GLY HA2 H 1 3.394 0.003 . . . . . . A 3 GLY HA2 . 30727 1 25 . 1 . 1 3 3 GLY HA3 H 1 1.737 0.000 . . . . . . A 3 GLY HA3 . 30727 1 26 . 1 . 1 3 3 GLY CA C 13 44.100 0.000 . . . . . . A 3 GLY CA . 30727 1 27 . 1 . 1 3 3 GLY N N 15 124.970 0.000 . . . . . . A 3 GLY N . 30727 1 28 . 1 . 1 4 4 TYR H H 1 9.176 0.000 . . . . . . A 4 TYR H . 30727 1 29 . 1 . 1 4 4 TYR HA H 1 4.944 0.000 . . . . . . A 4 TYR HA . 30727 1 30 . 1 . 1 4 4 TYR HB2 H 1 3.011 0.001 . . . . . . A 4 TYR HB2 . 30727 1 31 . 1 . 1 4 4 TYR HB3 H 1 3.125 0.002 . . . . . . A 4 TYR HB3 . 30727 1 32 . 1 . 1 4 4 TYR HD1 H 1 7.243 0.001 . . . . . . A 4 TYR HD1 . 30727 1 33 . 1 . 1 4 4 TYR HD2 H 1 7.243 0.001 . . . . . . A 4 TYR HD2 . 30727 1 34 . 1 . 1 4 4 TYR HE1 H 1 7.560 0.000 . . . . . . A 4 TYR HE1 . 30727 1 35 . 1 . 1 4 4 TYR HE2 H 1 7.560 0.000 . . . . . . A 4 TYR HE2 . 30727 1 36 . 1 . 1 4 4 TYR CA C 13 39.02 0.000 . . . . . . A 4 TYR CA . 30727 1 37 . 1 . 1 4 4 TYR CB C 13 39.1 0.000 . . . . . . A 4 TYR CB . 30727 1 38 . 1 . 1 4 4 TYR CD1 C 13 132.72 0.000 . . . . . . A 4 TYR CD1 . 30727 1 39 . 1 . 1 4 4 TYR CE1 C 13 118.2 0.000 . . . . . . A 4 TYR CE1 . 30727 1 40 . 1 . 1 4 4 TYR CZ C 13 157.6 0.000 . . . . . . A 4 TYR CZ . 30727 1 41 . 1 . 1 4 4 TYR N N 15 118.80 0.000 . . . . . . A 4 TYR N . 30727 1 42 . 1 . 1 5 5 LEU H H 1 7.655 0.000 . . . . . . A 5 LEU H . 30727 1 43 . 1 . 1 5 5 LEU HA H 1 4.506 0.000 . . . . . . A 5 LEU HA . 30727 1 44 . 1 . 1 5 5 LEU HB2 H 1 1.815 0.000 . . . . . . A 5 LEU HB2 . 30727 1 45 . 1 . 1 5 5 LEU HB3 H 1 1.666 0.000 . . . . . . A 5 LEU HB3 . 30727 1 46 . 1 . 1 5 5 LEU HG H 1 1.408 0.000 . . . . . . A 5 LEU HG . 30727 1 47 . 1 . 1 5 5 LEU HD11 H 1 0.124 0.000 . . . . . . A 5 LEU HD11 . 30727 1 48 . 1 . 1 5 5 LEU HD12 H 1 0.124 0.000 . . . . . . A 5 LEU HD12 . 30727 1 49 . 1 . 1 5 5 LEU HD13 H 1 0.124 0.000 . . . . . . A 5 LEU HD13 . 30727 1 50 . 1 . 1 5 5 LEU HD21 H 1 0.592 0.000 . . . . . . A 5 LEU HD21 . 30727 1 51 . 1 . 1 5 5 LEU HD22 H 1 0.592 0.000 . . . . . . A 5 LEU HD22 . 30727 1 52 . 1 . 1 5 5 LEU HD23 H 1 0.592 0.000 . . . . . . A 5 LEU HD23 . 30727 1 53 . 1 . 1 5 5 LEU CA C 13 55.960 0.000 . . . . . . A 5 LEU CA . 30727 1 54 . 1 . 1 5 5 LEU CB C 13 43.140 0.000 . . . . . . A 5 LEU CB . 30727 1 55 . 1 . 1 5 5 LEU CG C 13 27.770 0.000 . . . . . . A 5 LEU CG . 30727 1 56 . 1 . 1 5 5 LEU CD1 C 13 25.950 0.000 . . . . . . A 5 LEU CD1 . 30727 1 57 . 1 . 1 5 5 LEU CD2 C 13 25.180 0.000 . . . . . . A 5 LEU CD2 . 30727 1 58 . 1 . 1 5 5 LEU N N 15 123.700 0.000 . . . . . . A 5 LEU N . 30727 1 59 . 1 . 1 6 6 VAL H H 1 7.128 0.000 . . . . . . A 6 VAL H . 30727 1 60 . 1 . 1 6 6 VAL HA H 1 5.140 0.001 . . . . . . A 6 VAL HA . 30727 1 61 . 1 . 1 6 6 VAL HB H 1 2.025 0.000 . . . . . . A 6 VAL HB . 30727 1 62 . 1 . 1 6 6 VAL HG11 H 1 0.774 0.000 . . . . . . A 6 VAL HG11 . 30727 1 63 . 1 . 1 6 6 VAL HG12 H 1 0.774 0.000 . . . . . . A 6 VAL HG12 . 30727 1 64 . 1 . 1 6 6 VAL HG13 H 1 0.774 0.000 . . . . . . A 6 VAL HG13 . 30727 1 65 . 1 . 1 6 6 VAL HG21 H 1 1.037 0.004 . . . . . . A 6 VAL HG21 . 30727 1 66 . 1 . 1 6 6 VAL HG22 H 1 1.037 0.004 . . . . . . A 6 VAL HG22 . 30727 1 67 . 1 . 1 6 6 VAL HG23 H 1 1.037 0.004 . . . . . . A 6 VAL HG23 . 30727 1 68 . 1 . 1 6 6 VAL CA C 13 57.860 0.000 . . . . . . A 6 VAL CA . 30727 1 69 . 1 . 1 6 6 VAL CB C 13 35.800 0.000 . . . . . . A 6 VAL CB . 30727 1 70 . 1 . 1 6 6 VAL CG1 C 13 18.550 0.000 . . . . . . A 6 VAL CG1 . 30727 1 71 . 1 . 1 6 6 VAL CG2 C 13 21.040 0.000 . . . . . . A 6 VAL CG2 . 30727 1 72 . 1 . 1 6 6 VAL N N 15 119.770 0.000 . . . . . . A 6 VAL N . 30727 1 73 . 1 . 1 7 7 ASP H H 1 8.647 0.000 . . . . . . A 7 ASP H . 30727 1 74 . 1 . 1 7 7 ASP HA H 1 4.770 0.000 . . . . . . A 7 ASP HA . 30727 1 75 . 1 . 1 7 7 ASP HB2 H 1 2.447 0.001 . . . . . . A 7 ASP HB2 . 30727 1 76 . 1 . 1 7 7 ASP HB3 H 1 3.094 0.000 . . . . . . A 7 ASP HB3 . 30727 1 77 . 1 . 1 7 7 ASP CA C 13 53.810 0.000 . . . . . . A 7 ASP CA . 30727 1 78 . 1 . 1 7 7 ASP CB C 13 42.390 0.000 . . . . . . A 7 ASP CB . 30727 1 79 . 1 . 1 7 7 ASP N N 15 128.080 0.000 . . . . . . A 7 ASP N . 30727 1 80 . 1 . 1 8 8 TYR H H 1 8.680 0.000 . . . . . . A 8 TYR H . 30727 1 81 . 1 . 1 8 8 TYR HA H 1 4.258 0.000 . . . . . . A 8 TYR HA . 30727 1 82 . 1 . 1 8 8 TYR HB2 H 1 2.875 0.000 . . . . . . A 8 TYR HB2 . 30727 1 83 . 1 . 1 8 8 TYR HB3 H 1 3.003 0.000 . . . . . . A 8 TYR HB3 . 30727 1 84 . 1 . 1 8 8 TYR HD1 H 1 6.800 0.000 . . . . . . A 8 TYR HD1 . 30727 1 85 . 1 . 1 8 8 TYR HD2 H 1 6.800 0.000 . . . . . . A 8 TYR HD2 . 30727 1 86 . 1 . 1 8 8 TYR HE1 H 1 7.031 0.000 . . . . . . A 8 TYR HE1 . 30727 1 87 . 1 . 1 8 8 TYR HE2 H 1 7.031 0.000 . . . . . . A 8 TYR HE2 . 30727 1 88 . 1 . 1 8 8 TYR CA C 13 59.730 0.000 . . . . . . A 8 TYR CA . 30727 1 89 . 1 . 1 8 8 TYR CB C 13 37.750 0.000 . . . . . . A 8 TYR CB . 30727 1 90 . 1 . 1 8 8 TYR CG C 13 130.620 0.000 . . . . . . A 8 TYR CG . 30727 1 91 . 1 . 1 8 8 TYR CD1 C 13 133.390 0.000 . . . . . . A 8 TYR CD1 . 30727 1 92 . 1 . 1 8 8 TYR CD2 C 13 136.6 0.000 . . . . . . A 8 TYR CD2 . 30727 1 93 . 1 . 1 8 8 TYR CE1 C 13 118.400 0.000 . . . . . . A 8 TYR CE1 . 30727 1 94 . 1 . 1 8 8 TYR CZ C 13 157.400 0.000 . . . . . . A 8 TYR CZ . 30727 1 95 . 1 . 1 8 8 TYR N N 15 127.400 0.000 . . . . . . A 8 TYR N . 30727 1 96 . 1 . 1 9 9 HIS H H 1 8.839 0.000 . . . . . . A 9 HIS H . 30727 1 97 . 1 . 1 9 9 HIS HA H 1 4.608 0.000 . . . . . . A 9 HIS HA . 30727 1 98 . 1 . 1 9 9 HIS HB2 H 1 3.400 0.000 . . . . . . A 9 HIS HB2 . 30727 1 99 . 1 . 1 9 9 HIS HB3 H 1 3.431 0.000 . . . . . . A 9 HIS HB3 . 30727 1 100 . 1 . 1 9 9 HIS HD2 H 1 7.389 0.007 . . . . . . A 9 HIS HD2 . 30727 1 101 . 1 . 1 9 9 HIS HE1 H 1 8.536 0.000 . . . . . . A 9 HIS HE1 . 30727 1 102 . 1 . 1 9 9 HIS CA C 13 57.700 0.000 . . . . . . A 9 HIS CA . 30727 1 103 . 1 . 1 9 9 HIS CB C 13 28.900 0.000 . . . . . . A 9 HIS CB . 30727 1 104 . 1 . 1 9 9 HIS CG C 13 131.900 0.000 . . . . . . A 9 HIS CG . 30727 1 105 . 1 . 1 9 9 HIS CD2 C 13 136.600 0.000 . . . . . . A 9 HIS CD2 . 30727 1 106 . 1 . 1 9 9 HIS CE1 C 13 131.610 0.000 . . . . . . A 9 HIS CE1 . 30727 1 107 . 1 . 1 9 9 HIS N N 15 114.890 0.000 . . . . . . A 9 HIS N . 30727 1 108 . 1 . 1 10 10 THR H H 1 7.979 0.000 . . . . . . A 10 THR H . 30727 1 109 . 1 . 1 10 10 THR HA H 1 4.407 0.000 . . . . . . A 10 THR HA . 30727 1 110 . 1 . 1 10 10 THR HB H 1 4.553 0.000 . . . . . . A 10 THR HB . 30727 1 111 . 1 . 1 10 10 THR HG21 H 1 1.194 0.000 . . . . . . A 10 THR HG21 . 30727 1 112 . 1 . 1 10 10 THR HG22 H 1 1.194 0.000 . . . . . . A 10 THR HG22 . 30727 1 113 . 1 . 1 10 10 THR HG23 H 1 1.194 0.000 . . . . . . A 10 THR HG23 . 30727 1 114 . 1 . 1 10 10 THR CA C 13 61.830 0.000 . . . . . . A 10 THR CA . 30727 1 115 . 1 . 1 10 10 THR CB C 13 71.300 0.000 . . . . . . A 10 THR CB . 30727 1 116 . 1 . 1 10 10 THR CG2 C 13 21.130 0.000 . . . . . . A 10 THR CG2 . 30727 1 117 . 1 . 1 10 10 THR N N 15 117.960 0.000 . . . . . . A 10 THR N . 30727 1 118 . 1 . 1 11 11 GLY H H 1 8.640 0.001 . . . . . . A 11 GLY H . 30727 1 119 . 1 . 1 11 11 GLY HA2 H 1 3.571 0.002 . . . . . . A 11 GLY HA2 . 30727 1 120 . 1 . 1 11 11 GLY HA3 H 1 4.258 0.000 . . . . . . A 11 GLY HA3 . 30727 1 121 . 1 . 1 11 11 GLY CA C 13 45.550 0.000 . . . . . . A 11 GLY CA . 30727 1 122 . 1 . 1 11 11 GLY N N 15 107.750 0.000 . . . . . . A 11 GLY N . 30727 1 123 . 1 . 1 12 12 CYS H H 1 8.111 0.000 . . . . . . A 12 CYS H . 30727 1 124 . 1 . 1 12 12 CYS HA H 1 4.953 0.002 . . . . . . A 12 CYS HA . 30727 1 125 . 1 . 1 12 12 CYS HB2 H 1 2.904 0.002 . . . . . . A 12 CYS HB2 . 30727 1 126 . 1 . 1 12 12 CYS HB3 H 1 3.572 0.000 . . . . . . A 12 CYS HB3 . 30727 1 127 . 1 . 1 12 12 CYS CA C 13 60.800 0.000 . . . . . . A 12 CYS CA . 30727 1 128 . 1 . 1 12 12 CYS CB C 13 44.320 0.000 . . . . . . A 12 CYS CB . 30727 1 129 . 1 . 1 12 12 CYS N N 15 117.200 0.000 . . . . . . A 12 CYS N . 30727 1 130 . 1 . 1 13 13 LYS H H 1 8.190 0.001 . . . . . . A 13 LYS H . 30727 1 131 . 1 . 1 13 13 LYS HA H 1 4.634 0.000 . . . . . . A 13 LYS HA . 30727 1 132 . 1 . 1 13 13 LYS HB2 H 1 1.191 0.000 . . . . . . A 13 LYS HB2 . 30727 1 133 . 1 . 1 13 13 LYS HB3 H 1 1.191 0.000 . . . . . . A 13 LYS HB3 . 30727 1 134 . 1 . 1 13 13 LYS HG2 H 1 0.305 0.000 . . . . . . A 13 LYS HG2 . 30727 1 135 . 1 . 1 13 13 LYS HG3 H 1 0.305 0.000 . . . . . . A 13 LYS HG3 . 30727 1 136 . 1 . 1 13 13 LYS HD2 H 1 0.355 0.000 . . . . . . A 13 LYS HD2 . 30727 1 137 . 1 . 1 13 13 LYS HD3 H 1 0.448 0.000 . . . . . . A 13 LYS HD3 . 30727 1 138 . 1 . 1 13 13 LYS HE2 H 1 1.840 0.000 . . . . . . A 13 LYS HE2 . 30727 1 139 . 1 . 1 13 13 LYS HE3 H 1 1.840 0.000 . . . . . . A 13 LYS HE3 . 30727 1 140 . 1 . 1 13 13 LYS HZ1 H 1 7.554 0.000 . . . . . . A 13 LYS HZ1 . 30727 1 141 . 1 . 1 13 13 LYS HZ2 H 1 7.554 0.000 . . . . . . A 13 LYS HZ2 . 30727 1 142 . 1 . 1 13 13 LYS HZ3 H 1 7.554 0.000 . . . . . . A 13 LYS HZ3 . 30727 1 143 . 1 . 1 13 13 LYS CB C 13 33.660 0.000 . . . . . . A 13 LYS CB . 30727 1 144 . 1 . 1 13 13 LYS CG C 13 25.300 0.000 . . . . . . A 13 LYS CG . 30727 1 145 . 1 . 1 13 13 LYS CD C 13 29.200 0.000 . . . . . . A 13 LYS CD . 30727 1 146 . 1 . 1 13 13 LYS N N 15 119.930 0.000 . . . . . . A 13 LYS N . 30727 1 147 . 1 . 1 14 14 TYR H H 1 9.192 0.000 . . . . . . A 14 TYR H . 30727 1 148 . 1 . 1 14 14 TYR HA H 1 4.640 0.000 . . . . . . A 14 TYR HA . 30727 1 149 . 1 . 1 14 14 TYR HB2 H 1 2.881 0.000 . . . . . . A 14 TYR HB2 . 30727 1 150 . 1 . 1 14 14 TYR HB3 H 1 2.881 0.000 . . . . . . A 14 TYR HB3 . 30727 1 151 . 1 . 1 14 14 TYR HD1 H 1 7.006 0.000 . . . . . . A 14 TYR HD1 . 30727 1 152 . 1 . 1 14 14 TYR HD2 H 1 7.006 0.000 . . . . . . A 14 TYR HD2 . 30727 1 153 . 1 . 1 14 14 TYR HE1 H 1 6.599 0.000 . . . . . . A 14 TYR HE1 . 30727 1 154 . 1 . 1 14 14 TYR HE2 H 1 6.599 0.000 . . . . . . A 14 TYR HE2 . 30727 1 155 . 1 . 1 14 14 TYR CA C 13 57.310 0.000 . . . . . . A 14 TYR CA . 30727 1 156 . 1 . 1 14 14 TYR CB C 13 39.020 0.000 . . . . . . A 14 TYR CB . 30727 1 157 . 1 . 1 14 14 TYR CG C 13 132.330 0.000 . . . . . . A 14 TYR CG . 30727 1 158 . 1 . 1 14 14 TYR CD1 C 13 132.720 0.000 . . . . . . A 14 TYR CD1 . 30727 1 159 . 1 . 1 14 14 TYR CE1 C 13 118.290 0.000 . . . . . . A 14 TYR CE1 . 30727 1 160 . 1 . 1 14 14 TYR CZ C 13 157.400 0.000 . . . . . . A 14 TYR CZ . 30727 1 161 . 1 . 1 14 14 TYR N N 15 123.490 0.000 . . . . . . A 14 TYR N . 30727 1 162 . 1 . 1 15 15 THR H H 1 7.982 0.000 . . . . . . A 15 THR H . 30727 1 163 . 1 . 1 15 15 THR HA H 1 4.643 0.000 . . . . . . A 15 THR HA . 30727 1 164 . 1 . 1 15 15 THR HB H 1 4.120 0.002 . . . . . . A 15 THR HB . 30727 1 165 . 1 . 1 15 15 THR HG21 H 1 1.223 0.000 . . . . . . A 15 THR HG21 . 30727 1 166 . 1 . 1 15 15 THR HG22 H 1 1.223 0.000 . . . . . . A 15 THR HG22 . 30727 1 167 . 1 . 1 15 15 THR HG23 H 1 1.223 0.000 . . . . . . A 15 THR HG23 . 30727 1 168 . 1 . 1 15 15 THR CA C 13 62.890 0.000 . . . . . . A 15 THR CA . 30727 1 169 . 1 . 1 15 15 THR CB C 13 69.700 0.000 . . . . . . A 15 THR CB . 30727 1 170 . 1 . 1 15 15 THR CG2 C 13 22.300 0.000 . . . . . . A 15 THR CG2 . 30727 1 171 . 1 . 1 16 16 CYS H H 1 8.099 0.000 . . . . . . A 16 CYS H . 30727 1 172 . 1 . 1 16 16 CYS HA H 1 4.780 0.003 . . . . . . A 16 CYS HA . 30727 1 173 . 1 . 1 16 16 CYS HB2 H 1 3.094 0.000 . . . . . . A 16 CYS HB2 . 30727 1 174 . 1 . 1 16 16 CYS HB3 H 1 3.318 0.001 . . . . . . A 16 CYS HB3 . 30727 1 175 . 1 . 1 16 16 CYS CA C 13 53.840 0.000 . . . . . . A 16 CYS CA . 30727 1 176 . 1 . 1 16 16 CYS CB C 13 47.050 0.000 . . . . . . A 16 CYS CB . 30727 1 177 . 1 . 1 16 16 CYS N N 15 118.310 0.000 . . . . . . A 16 CYS N . 30727 1 178 . 1 . 1 17 17 ALA H H 1 8.297 0.000 . . . . . . A 17 ALA H . 30727 1 179 . 1 . 1 17 17 ALA HA H 1 4.608 0.000 . . . . . . A 17 ALA HA . 30727 1 180 . 1 . 1 17 17 ALA HB1 H 1 1.395 0.000 . . . . . . A 17 ALA HB1 . 30727 1 181 . 1 . 1 17 17 ALA HB2 H 1 1.395 0.000 . . . . . . A 17 ALA HB2 . 30727 1 182 . 1 . 1 17 17 ALA HB3 H 1 1.395 0.000 . . . . . . A 17 ALA HB3 . 30727 1 183 . 1 . 1 17 17 ALA CA C 13 53.200 0.000 . . . . . . A 17 ALA CA . 30727 1 184 . 1 . 1 17 17 ALA CB C 13 20.796 0.000 . . . . . . A 17 ALA CB . 30727 1 185 . 1 . 1 17 17 ALA N N 15 122.540 0.000 . . . . . . A 17 ALA N . 30727 1 186 . 1 . 1 18 18 LYS HA H 1 4.571 0.001 . . . . . . A 18 LYS HA . 30727 1 187 . 1 . 1 18 18 LYS HB2 H 1 1.797 0.002 . . . . . . A 18 LYS HB2 . 30727 1 188 . 1 . 1 18 18 LYS HB3 H 1 1.797 0.002 . . . . . . A 18 LYS HB3 . 30727 1 189 . 1 . 1 18 18 LYS HG2 H 1 1.437 0.000 . . . . . . A 18 LYS HG2 . 30727 1 190 . 1 . 1 18 18 LYS HG3 H 1 1.519 0.000 . . . . . . A 18 LYS HG3 . 30727 1 191 . 1 . 1 18 18 LYS HD2 H 1 1.752 0.000 . . . . . . A 18 LYS HD2 . 30727 1 192 . 1 . 1 18 18 LYS HD3 H 1 1.752 0.000 . . . . . . A 18 LYS HD3 . 30727 1 193 . 1 . 1 18 18 LYS HE2 H 1 3.092 0.001 . . . . . . A 18 LYS HE2 . 30727 1 194 . 1 . 1 18 18 LYS HE3 H 1 3.092 0.001 . . . . . . A 18 LYS HE3 . 30727 1 195 . 1 . 1 18 18 LYS CB C 13 34.070 0.000 . . . . . . A 18 LYS CB . 30727 1 196 . 1 . 1 18 18 LYS CG C 13 24.750 0.000 . . . . . . A 18 LYS CG . 30727 1 197 . 1 . 1 18 18 LYS CE C 13 42.250 0.000 . . . . . . A 18 LYS CE . 30727 1 198 . 1 . 1 19 19 LEU H H 1 8.369 0.000 . . . . . . A 19 LEU H . 30727 1 199 . 1 . 1 19 19 LEU HA H 1 3.646 0.000 . . . . . . A 19 LEU HA . 30727 1 200 . 1 . 1 19 19 LEU HB2 H 1 1.703 0.000 . . . . . . A 19 LEU HB2 . 30727 1 201 . 1 . 1 19 19 LEU HB3 H 1 1.432 0.000 . . . . . . A 19 LEU HB3 . 30727 1 202 . 1 . 1 19 19 LEU HG H 1 1.369 0.000 . . . . . . A 19 LEU HG . 30727 1 203 . 1 . 1 19 19 LEU HD11 H 1 0.024 0.000 . . . . . . A 19 LEU HD11 . 30727 1 204 . 1 . 1 19 19 LEU HD12 H 1 0.024 0.000 . . . . . . A 19 LEU HD12 . 30727 1 205 . 1 . 1 19 19 LEU HD13 H 1 0.024 0.000 . . . . . . A 19 LEU HD13 . 30727 1 206 . 1 . 1 19 19 LEU HD21 H 1 0.692 0.000 . . . . . . A 19 LEU HD21 . 30727 1 207 . 1 . 1 19 19 LEU HD22 H 1 0.692 0.000 . . . . . . A 19 LEU HD22 . 30727 1 208 . 1 . 1 19 19 LEU HD23 H 1 0.692 0.000 . . . . . . A 19 LEU HD23 . 30727 1 209 . 1 . 1 19 19 LEU CA C 13 55.870 0.000 . . . . . . A 19 LEU CA . 30727 1 210 . 1 . 1 19 19 LEU CB C 13 42.430 0.000 . . . . . . A 19 LEU CB . 30727 1 211 . 1 . 1 19 19 LEU CG C 13 26.360 0.000 . . . . . . A 19 LEU CG . 30727 1 212 . 1 . 1 19 19 LEU CD1 C 13 21.810 0.000 . . . . . . A 19 LEU CD1 . 30727 1 213 . 1 . 1 19 19 LEU CD2 C 13 24.780 0.000 . . . . . . A 19 LEU CD2 . 30727 1 214 . 1 . 1 19 19 LEU N N 15 124.570 0.000 . . . . . . A 19 LEU N . 30727 1 215 . 1 . 1 20 20 GLY H H 1 9.151 0.000 . . . . . . A 20 GLY H . 30727 1 216 . 1 . 1 20 20 GLY HA2 H 1 3.648 0.000 . . . . . . A 20 GLY HA2 . 30727 1 217 . 1 . 1 20 20 GLY HA3 H 1 4.353 0.000 . . . . . . A 20 GLY HA3 . 30727 1 218 . 1 . 1 20 20 GLY CA C 13 44.730 0.000 . . . . . . A 20 GLY CA . 30727 1 219 . 1 . 1 20 20 GLY N N 15 109.990 0.000 . . . . . . A 20 GLY N . 30727 1 220 . 1 . 1 21 21 ASP H H 1 8.568 0.000 . . . . . . A 21 ASP H . 30727 1 221 . 1 . 1 21 21 ASP HA H 1 4.708 0.000 . . . . . . A 21 ASP HA . 30727 1 222 . 1 . 1 21 21 ASP HB2 H 1 2.616 0.000 . . . . . . A 21 ASP HB2 . 30727 1 223 . 1 . 1 21 21 ASP HB3 H 1 2.723 0.000 . . . . . . A 21 ASP HB3 . 30727 1 224 . 1 . 1 21 21 ASP CA C 13 55.300 0.000 . . . . . . A 21 ASP CA . 30727 1 225 . 1 . 1 21 21 ASP CB C 13 40.480 0.000 . . . . . . A 21 ASP CB . 30727 1 226 . 1 . 1 21 21 ASP N N 15 125.520 0.000 . . . . . . A 21 ASP N . 30727 1 227 . 1 . 1 22 22 ASN H H 1 8.888 0.001 . . . . . . A 22 ASN H . 30727 1 228 . 1 . 1 22 22 ASN HA H 1 4.826 0.000 . . . . . . A 22 ASN HA . 30727 1 229 . 1 . 1 22 22 ASN HB2 H 1 2.618 0.001 . . . . . . A 22 ASN HB2 . 30727 1 230 . 1 . 1 22 22 ASN HB3 H 1 2.929 0.000 . . . . . . A 22 ASN HB3 . 30727 1 231 . 1 . 1 22 22 ASN HD21 H 1 7.739 0.000 . . . . . . A 22 ASN HD21 . 30727 1 232 . 1 . 1 22 22 ASN HD22 H 1 8.363 0.001 . . . . . . A 22 ASN HD22 . 30727 1 233 . 1 . 1 22 22 ASN C C 13 179.300 0.000 . . . . . . A 22 ASN C . 30727 1 234 . 1 . 1 22 22 ASN CA C 13 54.480 0.000 . . . . . . A 22 ASN CA . 30727 1 235 . 1 . 1 22 22 ASN CB C 13 41.140 0.000 . . . . . . A 22 ASN CB . 30727 1 236 . 1 . 1 22 22 ASN N N 15 122.180 0.000 . . . . . . A 22 ASN N . 30727 1 237 . 1 . 1 23 23 ASP H H 1 9.022 0.001 . . . . . . A 23 ASP H . 30727 1 238 . 1 . 1 23 23 ASP HA H 1 4.383 0.000 . . . . . . A 23 ASP HA . 30727 1 239 . 1 . 1 23 23 ASP HB2 H 1 2.695 0.000 . . . . . . A 23 ASP HB2 . 30727 1 240 . 1 . 1 23 23 ASP CA C 13 57.370 0.000 . . . . . . A 23 ASP CA . 30727 1 241 . 1 . 1 23 23 ASP CB C 13 41.070 0.000 . . . . . . A 23 ASP CB . 30727 1 242 . 1 . 1 23 23 ASP N N 15 112.890 0.000 . . . . . . A 23 ASP N . 30727 1 243 . 1 . 1 24 24 TYR H H 1 8.086 0.000 . . . . . . A 24 TYR H . 30727 1 244 . 1 . 1 24 24 TYR HA H 1 4.299 0.000 . . . . . . A 24 TYR HA . 30727 1 245 . 1 . 1 24 24 TYR HB2 H 1 3.276 0.000 . . . . . . A 24 TYR HB2 . 30727 1 246 . 1 . 1 24 24 TYR HB3 H 1 3.418 0.000 . . . . . . A 24 TYR HB3 . 30727 1 247 . 1 . 1 24 24 TYR HD1 H 1 7.083 0.000 . . . . . . A 24 TYR HD1 . 30727 1 248 . 1 . 1 24 24 TYR HD2 H 1 7.083 0.000 . . . . . . A 24 TYR HD2 . 30727 1 249 . 1 . 1 24 24 TYR HE1 H 1 6.859 0.000 . . . . . . A 24 TYR HE1 . 30727 1 250 . 1 . 1 24 24 TYR HE2 H 1 6.859 0.000 . . . . . . A 24 TYR HE2 . 30727 1 251 . 1 . 1 24 24 TYR CA C 13 61.390 0.000 . . . . . . A 24 TYR CA . 30727 1 252 . 1 . 1 24 24 TYR CB C 13 37.020 0.000 . . . . . . A 24 TYR CB . 30727 1 253 . 1 . 1 24 24 TYR CG C 13 130.020 0.000 . . . . . . A 24 TYR CG . 30727 1 254 . 1 . 1 24 24 TYR CD1 C 13 133.350 0.000 . . . . . . A 24 TYR CD1 . 30727 1 255 . 1 . 1 24 24 TYR CE1 C 13 118.390 0.000 . . . . . . A 24 TYR CE1 . 30727 1 256 . 1 . 1 24 24 TYR CZ C 13 157.300 0.000 . . . . . . A 24 TYR CZ . 30727 1 257 . 1 . 1 24 24 TYR N N 15 121.890 0.000 . . . . . . A 24 TYR N . 30727 1 258 . 1 . 1 25 25 CYS H H 1 7.904 0.000 . . . . . . A 25 CYS H . 30727 1 259 . 1 . 1 25 25 CYS HA H 1 4.294 0.000 . . . . . . A 25 CYS HA . 30727 1 260 . 1 . 1 25 25 CYS HB2 H 1 2.534 0.001 . . . . . . A 25 CYS HB2 . 30727 1 261 . 1 . 1 25 25 CYS HB3 H 1 2.714 0.000 . . . . . . A 25 CYS HB3 . 30727 1 262 . 1 . 1 25 25 CYS CA C 13 54.570 0.000 . . . . . . A 25 CYS CA . 30727 1 263 . 1 . 1 25 25 CYS CB C 13 32.400 0.000 . . . . . . A 25 CYS CB . 30727 1 264 . 1 . 1 25 25 CYS N N 15 115.410 0.000 . . . . . . A 25 CYS N . 30727 1 265 . 1 . 1 26 26 VAL H H 1 7.834 0.000 . . . . . . A 26 VAL H . 30727 1 266 . 1 . 1 26 26 VAL HA H 1 2.915 0.000 . . . . . . A 26 VAL HA . 30727 1 267 . 1 . 1 26 26 VAL HB H 1 2.116 0.000 . . . . . . A 26 VAL HB . 30727 1 268 . 1 . 1 26 26 VAL HG11 H 1 0.776 0.000 . . . . . . A 26 VAL HG11 . 30727 1 269 . 1 . 1 26 26 VAL HG12 H 1 0.776 0.000 . . . . . . A 26 VAL HG12 . 30727 1 270 . 1 . 1 26 26 VAL HG13 H 1 0.776 0.000 . . . . . . A 26 VAL HG13 . 30727 1 271 . 1 . 1 26 26 VAL HG21 H 1 0.835 0.000 . . . . . . A 26 VAL HG21 . 30727 1 272 . 1 . 1 26 26 VAL HG22 H 1 0.835 0.000 . . . . . . A 26 VAL HG22 . 30727 1 273 . 1 . 1 26 26 VAL HG23 H 1 0.835 0.000 . . . . . . A 26 VAL HG23 . 30727 1 274 . 1 . 1 26 26 VAL CA C 13 68.350 0.000 . . . . . . A 26 VAL CA . 30727 1 275 . 1 . 1 26 26 VAL CB C 13 31.450 0.000 . . . . . . A 26 VAL CB . 30727 1 276 . 1 . 1 26 26 VAL CG1 C 13 20.480 0.000 . . . . . . A 26 VAL CG1 . 30727 1 277 . 1 . 1 26 26 VAL CG2 C 13 23.740 0.000 . . . . . . A 26 VAL CG2 . 30727 1 278 . 1 . 1 26 26 VAL N N 15 121.400 0.000 . . . . . . A 26 VAL N . 30727 1 279 . 1 . 1 27 27 ARG H H 1 7.878 0.000 . . . . . . A 27 ARG H . 30727 1 280 . 1 . 1 27 27 ARG HA H 1 3.822 0.000 . . . . . . A 27 ARG HA . 30727 1 281 . 1 . 1 27 27 ARG HB2 H 1 1.833 0.000 . . . . . . A 27 ARG HB2 . 30727 1 282 . 1 . 1 27 27 ARG HB3 H 1 1.926 0.000 . . . . . . A 27 ARG HB3 . 30727 1 283 . 1 . 1 27 27 ARG HG2 H 1 1.442 0.000 . . . . . . A 27 ARG HG2 . 30727 1 284 . 1 . 1 27 27 ARG HG3 H 1 1.755 0.001 . . . . . . A 27 ARG HG3 . 30727 1 285 . 1 . 1 27 27 ARG HD2 H 1 3.217 0.001 . . . . . . A 27 ARG HD2 . 30727 1 286 . 1 . 1 27 27 ARG HD3 H 1 3.248 0.000 . . . . . . A 27 ARG HD3 . 30727 1 287 . 1 . 1 27 27 ARG HE H 1 7.352 0.000 . . . . . . A 27 ARG HE . 30727 1 288 . 1 . 1 27 27 ARG CA C 13 59.650 0.000 . . . . . . A 27 ARG CA . 30727 1 289 . 1 . 1 27 27 ARG CB C 13 30.140 0.000 . . . . . . A 27 ARG CB . 30727 1 290 . 1 . 1 27 27 ARG CG C 13 27.770 0.000 . . . . . . A 27 ARG CG . 30727 1 291 . 1 . 1 27 27 ARG CD C 13 43.650 0.000 . . . . . . A 27 ARG CD . 30727 1 292 . 1 . 1 27 27 ARG N N 15 117.490 0.000 . . . . . . A 27 ARG N . 30727 1 293 . 1 . 1 28 28 GLU H H 1 8.201 0.000 . . . . . . A 28 GLU H . 30727 1 294 . 1 . 1 28 28 GLU HA H 1 3.859 0.000 . . . . . . A 28 GLU HA . 30727 1 295 . 1 . 1 28 28 GLU HB2 H 1 1.286 0.000 . . . . . . A 28 GLU HB2 . 30727 1 296 . 1 . 1 28 28 GLU HB3 H 1 1.586 0.001 . . . . . . A 28 GLU HB3 . 30727 1 297 . 1 . 1 28 28 GLU HG2 H 1 1.649 0.002 . . . . . . A 28 GLU HG2 . 30727 1 298 . 1 . 1 28 28 GLU HG3 H 1 1.796 0.000 . . . . . . A 28 GLU HG3 . 30727 1 299 . 1 . 1 28 28 GLU CA C 13 58.500 0.000 . . . . . . A 28 GLU CA . 30727 1 300 . 1 . 1 28 28 GLU CB C 13 28.000 0.000 . . . . . . A 28 GLU CB . 30727 1 301 . 1 . 1 28 28 GLU CG C 13 30.740 0.000 . . . . . . A 28 GLU CG . 30727 1 302 . 1 . 1 28 28 GLU N N 15 117.200 0.000 . . . . . . A 28 GLU N . 30727 1 303 . 1 . 1 29 29 CYS H H 1 8.513 0.000 . . . . . . A 29 CYS H . 30727 1 304 . 1 . 1 29 29 CYS HA H 1 4.278 0.000 . . . . . . A 29 CYS HA . 30727 1 305 . 1 . 1 29 29 CYS HB2 H 1 2.648 0.000 . . . . . . A 29 CYS HB2 . 30727 1 306 . 1 . 1 29 29 CYS HB3 H 1 2.943 0.000 . . . . . . A 29 CYS HB3 . 30727 1 307 . 1 . 1 29 29 CYS CA C 13 59.590 0.000 . . . . . . A 29 CYS CA . 30727 1 308 . 1 . 1 29 29 CYS CB C 13 39.110 0.000 . . . . . . A 29 CYS CB . 30727 1 309 . 1 . 1 29 29 CYS N N 15 118.970 0.000 . . . . . . A 29 CYS N . 30727 1 310 . 1 . 1 30 30 ARG H H 1 7.931 0.000 . . . . . . A 30 ARG H . 30727 1 311 . 1 . 1 30 30 ARG HA H 1 4.368 0.000 . . . . . . A 30 ARG HA . 30727 1 312 . 1 . 1 30 30 ARG HB2 H 1 1.720 0.000 . . . . . . A 30 ARG HB2 . 30727 1 313 . 1 . 1 30 30 ARG HB3 H 1 1.744 0.000 . . . . . . A 30 ARG HB3 . 30727 1 314 . 1 . 1 30 30 ARG HG2 H 1 1.591 0.001 . . . . . . A 30 ARG HG2 . 30727 1 315 . 1 . 1 30 30 ARG HG3 H 1 1.591 0.001 . . . . . . A 30 ARG HG3 . 30727 1 316 . 1 . 1 30 30 ARG HD2 H 1 2.976 0.000 . . . . . . A 30 ARG HD2 . 30727 1 317 . 1 . 1 30 30 ARG HD3 H 1 3.048 0.000 . . . . . . A 30 ARG HD3 . 30727 1 318 . 1 . 1 30 30 ARG HE H 1 6.977 0.000 . . . . . . A 30 ARG HE . 30727 1 319 . 1 . 1 30 30 ARG CA C 13 58.140 0.000 . . . . . . A 30 ARG CA . 30727 1 320 . 1 . 1 30 30 ARG CB C 13 29.190 0.000 . . . . . . A 30 ARG CB . 30727 1 321 . 1 . 1 30 30 ARG CD C 13 42.200 0.000 . . . . . . A 30 ARG CD . 30727 1 322 . 1 . 1 30 30 ARG N N 15 118.940 0.000 . . . . . . A 30 ARG N . 30727 1 323 . 1 . 1 31 31 LEU H H 1 7.875 0.000 . . . . . . A 31 LEU H . 30727 1 324 . 1 . 1 31 31 LEU HA H 1 3.971 0.000 . . . . . . A 31 LEU HA . 30727 1 325 . 1 . 1 31 31 LEU HB2 H 1 1.645 0.000 . . . . . . A 31 LEU HB2 . 30727 1 326 . 1 . 1 31 31 LEU HB3 H 1 1.495 0.000 . . . . . . A 31 LEU HB3 . 30727 1 327 . 1 . 1 31 31 LEU HG H 1 1.591 0.000 . . . . . . A 31 LEU HG . 30727 1 328 . 1 . 1 31 31 LEU HD11 H 1 0.806 0.000 . . . . . . A 31 LEU HD11 . 30727 1 329 . 1 . 1 31 31 LEU HD12 H 1 0.806 0.000 . . . . . . A 31 LEU HD12 . 30727 1 330 . 1 . 1 31 31 LEU HD13 H 1 0.806 0.000 . . . . . . A 31 LEU HD13 . 30727 1 331 . 1 . 1 31 31 LEU HD21 H 1 0.833 0.000 . . . . . . A 31 LEU HD21 . 30727 1 332 . 1 . 1 31 31 LEU HD22 H 1 0.833 0.000 . . . . . . A 31 LEU HD22 . 30727 1 333 . 1 . 1 31 31 LEU HD23 H 1 0.833 0.000 . . . . . . A 31 LEU HD23 . 30727 1 334 . 1 . 1 31 31 LEU CA C 13 56.960 0.000 . . . . . . A 31 LEU CA . 30727 1 335 . 1 . 1 31 31 LEU CB C 13 42.470 0.000 . . . . . . A 31 LEU CB . 30727 1 336 . 1 . 1 31 31 LEU CG C 13 26.820 0.000 . . . . . . A 31 LEU CG . 30727 1 337 . 1 . 1 31 31 LEU CD1 C 13 24.670 0.000 . . . . . . A 31 LEU CD1 . 30727 1 338 . 1 . 1 31 31 LEU CD2 C 13 23.720 0.000 . . . . . . A 31 LEU CD2 . 30727 1 339 . 1 . 1 31 31 LEU N N 15 119.000 0.000 . . . . . . A 31 LEU N . 30727 1 340 . 1 . 1 32 32 ARG H H 1 7.493 0.000 . . . . . . A 32 ARG H . 30727 1 341 . 1 . 1 32 32 ARG HA H 1 4.030 0.000 . . . . . . A 32 ARG HA . 30727 1 342 . 1 . 1 32 32 ARG HB2 H 1 1.180 0.000 . . . . . . A 32 ARG HB2 . 30727 1 343 . 1 . 1 32 32 ARG HB3 H 1 1.397 0.000 . . . . . . A 32 ARG HB3 . 30727 1 344 . 1 . 1 32 32 ARG HG2 H 1 0.133 0.002 . . . . . . A 32 ARG HG2 . 30727 1 345 . 1 . 1 32 32 ARG HG3 H 1 0.593 0.001 . . . . . . A 32 ARG HG3 . 30727 1 346 . 1 . 1 32 32 ARG HD2 H 1 2.960 0.001 . . . . . . A 32 ARG HD2 . 30727 1 347 . 1 . 1 32 32 ARG HD3 H 1 2.960 0.001 . . . . . . A 32 ARG HD3 . 30727 1 348 . 1 . 1 32 32 ARG HE H 1 7.299 0.001 . . . . . . A 32 ARG HE . 30727 1 349 . 1 . 1 32 32 ARG CA C 13 55.930 0.000 . . . . . . A 32 ARG CA . 30727 1 350 . 1 . 1 32 32 ARG CB C 13 30.100 0.000 . . . . . . A 32 ARG CB . 30727 1 351 . 1 . 1 32 32 ARG CG C 13 27.760 0.000 . . . . . . A 32 ARG CG . 30727 1 352 . 1 . 1 32 32 ARG N N 15 115.230 0.000 . . . . . . A 32 ARG N . 30727 1 353 . 1 . 1 33 33 TYR H H 1 7.625 0.000 . . . . . . A 33 TYR H . 30727 1 354 . 1 . 1 33 33 TYR HA H 1 4.712 0.000 . . . . . . A 33 TYR HA . 30727 1 355 . 1 . 1 33 33 TYR HB2 H 1 2.715 0.000 . . . . . . A 33 TYR HB2 . 30727 1 356 . 1 . 1 33 33 TYR HB3 H 1 2.775 0.000 . . . . . . A 33 TYR HB3 . 30727 1 357 . 1 . 1 33 33 TYR HD1 H 1 7.170 0.000 . . . . . . A 33 TYR HD1 . 30727 1 358 . 1 . 1 33 33 TYR HD2 H 1 7.170 0.000 . . . . . . A 33 TYR HD2 . 30727 1 359 . 1 . 1 33 33 TYR HE1 H 1 6.803 0.003 . . . . . . A 33 TYR HE1 . 30727 1 360 . 1 . 1 33 33 TYR HE2 H 1 6.803 0.003 . . . . . . A 33 TYR HE2 . 30727 1 361 . 1 . 1 33 33 TYR CB C 13 38.060 0.000 . . . . . . A 33 TYR CB . 30727 1 362 . 1 . 1 33 33 TYR CG C 13 130.870 0.000 . . . . . . A 33 TYR CG . 30727 1 363 . 1 . 1 33 33 TYR CD1 C 13 133.360 0.000 . . . . . . A 33 TYR CD1 . 30727 1 364 . 1 . 1 33 33 TYR CE1 C 13 118.350 0.000 . . . . . . A 33 TYR CE1 . 30727 1 365 . 1 . 1 33 33 TYR CZ C 13 158.300 0.000 . . . . . . A 33 TYR CZ . 30727 1 366 . 1 . 1 33 33 TYR N N 15 122.830 0.000 . . . . . . A 33 TYR N . 30727 1 367 . 1 . 1 34 34 TYR H H 1 7.150 0.000 . . . . . . A 34 TYR H . 30727 1 368 . 1 . 1 34 34 TYR HA H 1 4.879 0.001 . . . . . . A 34 TYR HA . 30727 1 369 . 1 . 1 34 34 TYR HB2 H 1 3.487 0.000 . . . . . . A 34 TYR HB2 . 30727 1 370 . 1 . 1 34 34 TYR HB3 H 1 3.770 0.000 . . . . . . A 34 TYR HB3 . 30727 1 371 . 1 . 1 34 34 TYR HD1 H 1 7.226 0.000 . . . . . . A 34 TYR HD1 . 30727 1 372 . 1 . 1 34 34 TYR HD2 H 1 7.226 0.000 . . . . . . A 34 TYR HD2 . 30727 1 373 . 1 . 1 34 34 TYR HE1 H 1 6.871 0.000 . . . . . . A 34 TYR HE1 . 30727 1 374 . 1 . 1 34 34 TYR HE2 H 1 6.871 0.000 . . . . . . A 34 TYR HE2 . 30727 1 375 . 1 . 1 34 34 TYR CA C 13 56.610 0.000 . . . . . . A 34 TYR CA . 30727 1 376 . 1 . 1 34 34 TYR CB C 13 37.550 0.000 . . . . . . A 34 TYR CB . 30727 1 377 . 1 . 1 34 34 TYR CG C 13 130.900 0.000 . . . . . . A 34 TYR CG . 30727 1 378 . 1 . 1 34 34 TYR CD1 C 13 133.050 0.000 . . . . . . A 34 TYR CD1 . 30727 1 379 . 1 . 1 34 34 TYR CE1 C 13 118.010 0.000 . . . . . . A 34 TYR CE1 . 30727 1 380 . 1 . 1 34 34 TYR CZ C 13 157.300 0.000 . . . . . . A 34 TYR CZ . 30727 1 381 . 1 . 1 34 34 TYR N N 15 114.310 0.000 . . . . . . A 34 TYR N . 30727 1 382 . 1 . 1 35 35 GLN H H 1 8.679 0.000 . . . . . . A 35 GLN H . 30727 1 383 . 1 . 1 35 35 GLN HA H 1 3.859 0.000 . . . . . . A 35 GLN HA . 30727 1 384 . 1 . 1 35 35 GLN HB2 H 1 2.135 0.000 . . . . . . A 35 GLN HB2 . 30727 1 385 . 1 . 1 35 35 GLN HB3 H 1 2.161 0.000 . . . . . . A 35 GLN HB3 . 30727 1 386 . 1 . 1 35 35 GLN HG2 H 1 2.465 0.000 . . . . . . A 35 GLN HG2 . 30727 1 387 . 1 . 1 35 35 GLN HG3 H 1 2.465 0.000 . . . . . . A 35 GLN HG3 . 30727 1 388 . 1 . 1 35 35 GLN HE21 H 1 6.749 0.000 . . . . . . A 35 GLN HE21 . 30727 1 389 . 1 . 1 35 35 GLN HE22 H 1 7.507 0.000 . . . . . . A 35 GLN HE22 . 30727 1 390 . 1 . 1 35 35 GLN C C 13 180.070 0.000 . . . . . . A 35 GLN C . 30727 1 391 . 1 . 1 35 35 GLN CA C 13 58.790 0.000 . . . . . . A 35 GLN CA . 30727 1 392 . 1 . 1 35 35 GLN CB C 13 28.300 0.000 . . . . . . A 35 GLN CB . 30727 1 393 . 1 . 1 35 35 GLN CG C 13 33.500 0.000 . . . . . . A 35 GLN CG . 30727 1 394 . 1 . 1 35 35 GLN N N 15 117.570 0.000 . . . . . . A 35 GLN N . 30727 1 395 . 1 . 1 36 36 SER H H 1 6.938 0.000 . . . . . . A 36 SER H . 30727 1 396 . 1 . 1 36 36 SER HA H 1 4.350 0.000 . . . . . . A 36 SER HA . 30727 1 397 . 1 . 1 36 36 SER HB2 H 1 3.522 0.000 . . . . . . A 36 SER HB2 . 30727 1 398 . 1 . 1 36 36 SER HB3 H 1 3.837 0.000 . . . . . . A 36 SER HB3 . 30727 1 399 . 1 . 1 36 36 SER CA C 13 58.520 0.000 . . . . . . A 36 SER CA . 30727 1 400 . 1 . 1 36 36 SER CB C 13 62.790 0.000 . . . . . . A 36 SER CB . 30727 1 401 . 1 . 1 36 36 SER N N 15 109.740 0.000 . . . . . . A 36 SER N . 30727 1 402 . 1 . 1 37 37 ALA H H 1 7.626 0.001 . . . . . . A 37 ALA H . 30727 1 403 . 1 . 1 37 37 ALA HA H 1 4.690 0.000 . . . . . . A 37 ALA HA . 30727 1 404 . 1 . 1 37 37 ALA HB1 H 1 1.482 0.001 . . . . . . A 37 ALA HB1 . 30727 1 405 . 1 . 1 37 37 ALA HB2 H 1 1.482 0.001 . . . . . . A 37 ALA HB2 . 30727 1 406 . 1 . 1 37 37 ALA HB3 H 1 1.482 0.001 . . . . . . A 37 ALA HB3 . 30727 1 407 . 1 . 1 37 37 ALA CA C 13 52.270 0.000 . . . . . . A 37 ALA CA . 30727 1 408 . 1 . 1 37 37 ALA CB C 13 20.170 0.000 . . . . . . A 37 ALA CB . 30727 1 409 . 1 . 1 37 37 ALA N N 15 116.280 0.000 . . . . . . A 37 ALA N . 30727 1 410 . 1 . 1 38 38 HIS H H 1 8.084 0.000 . . . . . . A 38 HIS H . 30727 1 411 . 1 . 1 38 38 HIS HA H 1 4.629 0.000 . . . . . . A 38 HIS HA . 30727 1 412 . 1 . 1 38 38 HIS HB2 H 1 3.074 0.000 . . . . . . A 38 HIS HB2 . 30727 1 413 . 1 . 1 38 38 HIS HB3 H 1 3.074 0.000 . . . . . . A 38 HIS HB3 . 30727 1 414 . 1 . 1 38 38 HIS HD2 H 1 7.045 0.000 . . . . . . A 38 HIS HD2 . 30727 1 415 . 1 . 1 38 38 HIS HE1 H 1 8.115 0.000 . . . . . . A 38 HIS HE1 . 30727 1 416 . 1 . 1 38 38 HIS CA C 13 55.800 0.000 . . . . . . A 38 HIS CA . 30727 1 417 . 1 . 1 38 38 HIS CB C 13 33.000 0.000 . . . . . . A 38 HIS CB . 30727 1 418 . 1 . 1 38 38 HIS CG C 13 135.800 0.000 . . . . . . A 38 HIS CG . 30727 1 419 . 1 . 1 38 38 HIS CD2 C 13 118.460 0.000 . . . . . . A 38 HIS CD2 . 30727 1 420 . 1 . 1 38 38 HIS CE1 C 13 138.030 0.000 . . . . . . A 38 HIS CE1 . 30727 1 421 . 1 . 1 38 38 HIS N N 15 119.650 0.000 . . . . . . A 38 HIS N . 30727 1 422 . 1 . 1 39 39 GLY H H 1 7.378 0.003 . . . . . . A 39 GLY H . 30727 1 423 . 1 . 1 39 39 GLY HA2 H 1 4.911 0.000 . . . . . . A 39 GLY HA2 . 30727 1 424 . 1 . 1 39 39 GLY HA3 H 1 4.352 0.003 . . . . . . A 39 GLY HA3 . 30727 1 425 . 1 . 1 39 39 GLY CA C 13 47.660 0.000 . . . . . . A 39 GLY CA . 30727 1 426 . 1 . 1 39 39 GLY N N 15 105.640 0.000 . . . . . . A 39 GLY N . 30727 1 427 . 1 . 1 40 40 TYR H H 1 9.014 0.001 . . . . . . A 40 TYR H . 30727 1 428 . 1 . 1 40 40 TYR HA H 1 4.714 0.000 . . . . . . A 40 TYR HA . 30727 1 429 . 1 . 1 40 40 TYR HB2 H 1 2.838 0.000 . . . . . . A 40 TYR HB2 . 30727 1 430 . 1 . 1 40 40 TYR HB3 H 1 3.202 0.003 . . . . . . A 40 TYR HB3 . 30727 1 431 . 1 . 1 40 40 TYR HD1 H 1 6.906 0.001 . . . . . . A 40 TYR HD1 . 30727 1 432 . 1 . 1 40 40 TYR HD2 H 1 6.906 0.001 . . . . . . A 40 TYR HD2 . 30727 1 433 . 1 . 1 40 40 TYR HE1 H 1 6.583 0.001 . . . . . . A 40 TYR HE1 . 30727 1 434 . 1 . 1 40 40 TYR HE2 H 1 6.583 0.001 . . . . . . A 40 TYR HE2 . 30727 1 435 . 1 . 1 40 40 TYR CB C 13 39.600 0.000 . . . . . . A 40 TYR CB . 30727 1 436 . 1 . 1 40 40 TYR CG C 13 129.320 0.000 . . . . . . A 40 TYR CG . 30727 1 437 . 1 . 1 40 40 TYR CD1 C 13 133.630 0.000 . . . . . . A 40 TYR CD1 . 30727 1 438 . 1 . 1 40 40 TYR CE1 C 13 117.980 0.000 . . . . . . A 40 TYR CE1 . 30727 1 439 . 1 . 1 40 40 TYR CZ C 13 157.400 0.000 . . . . . . A 40 TYR CZ . 30727 1 440 . 1 . 1 40 40 TYR N N 15 112.890 0.000 . . . . . . A 40 TYR N . 30727 1 441 . 1 . 1 41 41 CYS H H 1 9.322 0.001 . . . . . . A 41 CYS H . 30727 1 442 . 1 . 1 41 41 CYS HA H 1 5.194 0.000 . . . . . . A 41 CYS HA . 30727 1 443 . 1 . 1 41 41 CYS HB2 H 1 2.920 0.003 . . . . . . A 41 CYS HB2 . 30727 1 444 . 1 . 1 41 41 CYS HB3 H 1 3.937 0.000 . . . . . . A 41 CYS HB3 . 30727 1 445 . 1 . 1 41 41 CYS CA C 13 56.020 0.000 . . . . . . A 41 CYS CA . 30727 1 446 . 1 . 1 41 41 CYS N N 15 121.110 0.000 . . . . . . A 41 CYS N . 30727 1 447 . 1 . 1 42 42 TYR H H 1 9.323 0.000 . . . . . . A 42 TYR H . 30727 1 448 . 1 . 1 42 42 TYR HA H 1 4.989 0.000 . . . . . . A 42 TYR HA . 30727 1 449 . 1 . 1 42 42 TYR HB2 H 1 2.708 0.000 . . . . . . A 42 TYR HB2 . 30727 1 450 . 1 . 1 42 42 TYR HB3 H 1 2.936 0.000 . . . . . . A 42 TYR HB3 . 30727 1 451 . 1 . 1 42 42 TYR HD1 H 1 6.762 0.000 . . . . . . A 42 TYR HD1 . 30727 1 452 . 1 . 1 42 42 TYR HD2 H 1 6.762 0.000 . . . . . . A 42 TYR HD2 . 30727 1 453 . 1 . 1 42 42 TYR HE1 H 1 6.347 0.003 . . . . . . A 42 TYR HE1 . 30727 1 454 . 1 . 1 42 42 TYR HE2 H 1 6.347 0.003 . . . . . . A 42 TYR HE2 . 30727 1 455 . 1 . 1 42 42 TYR CA C 13 55.650 0.000 . . . . . . A 42 TYR CA . 30727 1 456 . 1 . 1 42 42 TYR CB C 13 41.060 0.000 . . . . . . A 42 TYR CB . 30727 1 457 . 1 . 1 42 42 TYR CG C 13 128.800 0.000 . . . . . . A 42 TYR CG . 30727 1 458 . 1 . 1 42 42 TYR CD1 C 13 132.410 0.000 . . . . . . A 42 TYR CD1 . 30727 1 459 . 1 . 1 42 42 TYR CE1 C 13 117.770 0.000 . . . . . . A 42 TYR CE1 . 30727 1 460 . 1 . 1 42 42 TYR CZ C 13 157.100 0.000 . . . . . . A 42 TYR CZ . 30727 1 461 . 1 . 1 42 42 TYR N N 15 132.860 0.000 . . . . . . A 42 TYR N . 30727 1 462 . 1 . 1 43 43 ALA H H 1 9.086 0.000 . . . . . . A 43 ALA H . 30727 1 463 . 1 . 1 43 43 ALA HA H 1 3.505 0.001 . . . . . . A 43 ALA HA . 30727 1 464 . 1 . 1 43 43 ALA HB1 H 1 1.068 0.000 . . . . . . A 43 ALA HB1 . 30727 1 465 . 1 . 1 43 43 ALA HB2 H 1 1.068 0.000 . . . . . . A 43 ALA HB2 . 30727 1 466 . 1 . 1 43 43 ALA HB3 H 1 1.068 0.000 . . . . . . A 43 ALA HB3 . 30727 1 467 . 1 . 1 43 43 ALA CA C 13 53.470 0.000 . . . . . . A 43 ALA CA . 30727 1 468 . 1 . 1 43 43 ALA CB C 13 16.080 0.000 . . . . . . A 43 ALA CB . 30727 1 469 . 1 . 1 43 43 ALA N N 15 131.950 0.000 . . . . . . A 43 ALA N . 30727 1 470 . 1 . 1 44 44 PHE H H 1 6.040 0.000 . . . . . . A 44 PHE H . 30727 1 471 . 1 . 1 44 44 PHE HA H 1 4.026 0.000 . . . . . . A 44 PHE HA . 30727 1 472 . 1 . 1 44 44 PHE HB2 H 1 3.234 0.000 . . . . . . A 44 PHE HB2 . 30727 1 473 . 1 . 1 44 44 PHE HB3 H 1 3.652 0.000 . . . . . . A 44 PHE HB3 . 30727 1 474 . 1 . 1 44 44 PHE HD1 H 1 7.268 0.003 . . . . . . A 44 PHE HD1 . 30727 1 475 . 1 . 1 44 44 PHE HD2 H 1 7.268 0.003 . . . . . . A 44 PHE HD2 . 30727 1 476 . 1 . 1 44 44 PHE HE1 H 1 7.526 0.000 . . . . . . A 44 PHE HE1 . 30727 1 477 . 1 . 1 44 44 PHE HE2 H 1 7.526 0.000 . . . . . . A 44 PHE HE2 . 30727 1 478 . 1 . 1 44 44 PHE CB C 13 34.760 0.000 . . . . . . A 44 PHE CB . 30727 1 479 . 1 . 1 44 44 PHE CD1 C 13 119.160 0.000 . . . . . . A 44 PHE CD1 . 30727 1 480 . 1 . 1 44 44 PHE CD2 C 13 119.160 0.000 . . . . . . A 44 PHE CD2 . 30727 1 481 . 1 . 1 44 44 PHE CE1 C 13 133.800 0.000 . . . . . . A 44 PHE CE1 . 30727 1 482 . 1 . 1 44 44 PHE CE2 C 13 133.800 0.000 . . . . . . A 44 PHE CE2 . 30727 1 483 . 1 . 1 45 45 ALA H H 1 8.054 0.000 . . . . . . A 45 ALA H . 30727 1 484 . 1 . 1 45 45 ALA HA H 1 5.445 0.005 . . . . . . A 45 ALA HA . 30727 1 485 . 1 . 1 45 45 ALA HB1 H 1 1.288 0.000 . . . . . . A 45 ALA HB1 . 30727 1 486 . 1 . 1 45 45 ALA HB2 H 1 1.288 0.000 . . . . . . A 45 ALA HB2 . 30727 1 487 . 1 . 1 45 45 ALA HB3 H 1 1.288 0.000 . . . . . . A 45 ALA HB3 . 30727 1 488 . 1 . 1 45 45 ALA CA C 13 52.240 0.000 . . . . . . A 45 ALA CA . 30727 1 489 . 1 . 1 45 45 ALA CB C 13 23.020 0.000 . . . . . . A 45 ALA CB . 30727 1 490 . 1 . 1 45 45 ALA N N 15 122.310 0.000 . . . . . . A 45 ALA N . 30727 1 491 . 1 . 1 46 46 CYS H H 1 8.687 0.000 . . . . . . A 46 CYS H . 30727 1 492 . 1 . 1 46 46 CYS HA H 1 5.289 0.001 . . . . . . A 46 CYS HA . 30727 1 493 . 1 . 1 46 46 CYS HB2 H 1 2.673 0.002 . . . . . . A 46 CYS HB2 . 30727 1 494 . 1 . 1 46 46 CYS HB3 H 1 2.809 0.000 . . . . . . A 46 CYS HB3 . 30727 1 495 . 1 . 1 46 46 CYS CA C 13 54.300 0.000 . . . . . . A 46 CYS CA . 30727 1 496 . 1 . 1 46 46 CYS CB C 13 34.660 0.000 . . . . . . A 46 CYS CB . 30727 1 497 . 1 . 1 46 46 CYS N N 15 116.260 0.000 . . . . . . A 46 CYS N . 30727 1 498 . 1 . 1 47 47 TRP H H 1 9.782 0.001 . . . . . . A 47 TRP H . 30727 1 499 . 1 . 1 47 47 TRP HA H 1 4.616 0.000 . . . . . . A 47 TRP HA . 30727 1 500 . 1 . 1 47 47 TRP HB2 H 1 2.776 0.000 . . . . . . A 47 TRP HB2 . 30727 1 501 . 1 . 1 47 47 TRP HB3 H 1 2.652 0.005 . . . . . . A 47 TRP HB3 . 30727 1 502 . 1 . 1 47 47 TRP HD1 H 1 6.286 0.000 . . . . . . A 47 TRP HD1 . 30727 1 503 . 1 . 1 47 47 TRP HE1 H 1 10.262 0.003 . . . . . . A 47 TRP HE1 . 30727 1 504 . 1 . 1 47 47 TRP HE3 H 1 5.457 0.000 . . . . . . A 47 TRP HE3 . 30727 1 505 . 1 . 1 47 47 TRP HZ2 H 1 7.170 0.000 . . . . . . A 47 TRP HZ2 . 30727 1 506 . 1 . 1 47 47 TRP HZ3 H 1 6.660 0.000 . . . . . . A 47 TRP HZ3 . 30727 1 507 . 1 . 1 47 47 TRP HH2 H 1 7.073 0.000 . . . . . . A 47 TRP HH2 . 30727 1 508 . 1 . 1 47 47 TRP CA C 13 55.610 0.000 . . . . . . A 47 TRP CA . 30727 1 509 . 1 . 1 47 47 TRP CB C 13 31.900 0.000 . . . . . . A 47 TRP CB . 30727 1 510 . 1 . 1 47 47 TRP CG C 13 108.900 0.000 . . . . . . A 47 TRP CG . 30727 1 511 . 1 . 1 47 47 TRP CD1 C 13 128.300 0.000 . . . . . . A 47 TRP CD1 . 30727 1 512 . 1 . 1 47 47 TRP CD2 C 13 129.400 0.000 . . . . . . A 47 TRP CD2 . 30727 1 513 . 1 . 1 47 47 TRP CE2 C 13 138.600 0.000 . . . . . . A 47 TRP CE2 . 30727 1 514 . 1 . 1 47 47 TRP CE3 C 13 120.420 0.000 . . . . . . A 47 TRP CE3 . 30727 1 515 . 1 . 1 47 47 TRP CZ2 C 13 113.690 0.000 . . . . . . A 47 TRP CZ2 . 30727 1 516 . 1 . 1 47 47 TRP CZ3 C 13 123.780 0.000 . . . . . . A 47 TRP CZ3 . 30727 1 517 . 1 . 1 47 47 TRP CH2 C 13 130.345 0.000 . . . . . . A 47 TRP CH2 . 30727 1 518 . 1 . 1 47 47 TRP N N 15 133.470 0.000 . . . . . . A 47 TRP N . 30727 1 519 . 1 . 1 47 47 TRP NE1 N 15 130.320 0.000 . . . . . . A 47 TRP NE1 . 30727 1 520 . 1 . 1 48 48 CYS H H 1 8.698 0.000 . . . . . . A 48 CYS H . 30727 1 521 . 1 . 1 48 48 CYS HA H 1 5.720 0.000 . . . . . . A 48 CYS HA . 30727 1 522 . 1 . 1 48 48 CYS HB2 H 1 2.327 0.000 . . . . . . A 48 CYS HB2 . 30727 1 523 . 1 . 1 48 48 CYS HB3 H 1 3.160 0.000 . . . . . . A 48 CYS HB3 . 30727 1 524 . 1 . 1 48 48 CYS CA C 13 51.600 0.000 . . . . . . A 48 CYS CA . 30727 1 525 . 1 . 1 48 48 CYS CB C 13 38.990 0.000 . . . . . . A 48 CYS CB . 30727 1 526 . 1 . 1 48 48 CYS N N 15 124.040 0.000 . . . . . . A 48 CYS N . 30727 1 527 . 1 . 1 49 49 THR H H 1 8.545 0.002 . . . . . . A 49 THR H . 30727 1 528 . 1 . 1 49 49 THR HA H 1 4.666 0.009 . . . . . . A 49 THR HA . 30727 1 529 . 1 . 1 49 49 THR HB H 1 4.356 0.001 . . . . . . A 49 THR HB . 30727 1 530 . 1 . 1 49 49 THR HG21 H 1 1.315 0.002 . . . . . . A 49 THR HG21 . 30727 1 531 . 1 . 1 49 49 THR HG22 H 1 1.315 0.002 . . . . . . A 49 THR HG22 . 30727 1 532 . 1 . 1 49 49 THR HG23 H 1 1.315 0.002 . . . . . . A 49 THR HG23 . 30727 1 533 . 1 . 1 49 49 THR CA C 13 62.170 0.000 . . . . . . A 49 THR CA . 30727 1 534 . 1 . 1 49 49 THR CB C 13 70.750 0.000 . . . . . . A 49 THR CB . 30727 1 535 . 1 . 1 49 49 THR CG2 C 13 22.910 0.000 . . . . . . A 49 THR CG2 . 30727 1 536 . 1 . 1 49 49 THR N N 15 110.880 0.000 . . . . . . A 49 THR N . 30727 1 537 . 1 . 1 50 50 HIS H H 1 8.952 0.001 . . . . . . A 50 HIS H . 30727 1 538 . 1 . 1 50 50 HIS HA H 1 4.081 0.000 . . . . . . A 50 HIS HA . 30727 1 539 . 1 . 1 50 50 HIS HB2 H 1 3.418 0.000 . . . . . . A 50 HIS HB2 . 30727 1 540 . 1 . 1 50 50 HIS HB3 H 1 3.592 0.000 . . . . . . A 50 HIS HB3 . 30727 1 541 . 1 . 1 50 50 HIS HD2 H 1 7.266 0.000 . . . . . . A 50 HIS HD2 . 30727 1 542 . 1 . 1 50 50 HIS HE1 H 1 8.482 0.000 . . . . . . A 50 HIS HE1 . 30727 1 543 . 1 . 1 50 50 HIS CA C 13 56.330 0.000 . . . . . . A 50 HIS CA . 30727 1 544 . 1 . 1 50 50 HIS CB C 13 26.500 0.000 . . . . . . A 50 HIS CB . 30727 1 545 . 1 . 1 50 50 HIS CG C 13 133.300 0.000 . . . . . . A 50 HIS CG . 30727 1 546 . 1 . 1 50 50 HIS CD2 C 13 119.800 0.000 . . . . . . A 50 HIS CD2 . 30727 1 547 . 1 . 1 50 50 HIS CE1 C 13 136.110 0.000 . . . . . . A 50 HIS CE1 . 30727 1 548 . 1 . 1 50 50 HIS N N 15 112.950 0.000 . . . . . . A 50 HIS N . 30727 1 549 . 1 . 1 51 51 LEU H H 1 8.141 0.000 . . . . . . A 51 LEU H . 30727 1 550 . 1 . 1 51 51 LEU HA H 1 4.216 0.000 . . . . . . A 51 LEU HA . 30727 1 551 . 1 . 1 51 51 LEU HB2 H 1 0.630 0.000 . . . . . . A 51 LEU HB2 . 30727 1 552 . 1 . 1 51 51 LEU HB3 H 1 1.000 0.000 . . . . . . A 51 LEU HB3 . 30727 1 553 . 1 . 1 51 51 LEU HG H 1 0.917 0.000 . . . . . . A 51 LEU HG . 30727 1 554 . 1 . 1 51 51 LEU HD11 H 1 -0.412 0.000 . . . . . . A 51 LEU HD11 . 30727 1 555 . 1 . 1 51 51 LEU HD12 H 1 -0.412 0.000 . . . . . . A 51 LEU HD12 . 30727 1 556 . 1 . 1 51 51 LEU HD13 H 1 -0.412 0.000 . . . . . . A 51 LEU HD13 . 30727 1 557 . 1 . 1 51 51 LEU HD21 H 1 0.087 0.000 . . . . . . A 51 LEU HD21 . 30727 1 558 . 1 . 1 51 51 LEU HD22 H 1 0.087 0.000 . . . . . . A 51 LEU HD22 . 30727 1 559 . 1 . 1 51 51 LEU HD23 H 1 0.087 0.000 . . . . . . A 51 LEU HD23 . 30727 1 560 . 1 . 1 51 51 LEU CA C 13 53.240 0.000 . . . . . . A 51 LEU CA . 30727 1 561 . 1 . 1 51 51 LEU CB C 13 42.140 0.000 . . . . . . A 51 LEU CB . 30727 1 562 . 1 . 1 51 51 LEU CG C 13 25.720 0.000 . . . . . . A 51 LEU CG . 30727 1 563 . 1 . 1 51 51 LEU CD1 C 13 24.400 0.000 . . . . . . A 51 LEU CD1 . 30727 1 564 . 1 . 1 51 51 LEU CD2 C 13 22.550 0.000 . . . . . . A 51 LEU CD2 . 30727 1 565 . 1 . 1 51 51 LEU N N 15 114.240 0.000 . . . . . . A 51 LEU N . 30727 1 566 . 1 . 1 52 52 TYR H H 1 7.025 0.001 . . . . . . A 52 TYR H . 30727 1 567 . 1 . 1 52 52 TYR HA H 1 4.578 0.000 . . . . . . A 52 TYR HA . 30727 1 568 . 1 . 1 52 52 TYR HB2 H 1 3.082 0.000 . . . . . . A 52 TYR HB2 . 30727 1 569 . 1 . 1 52 52 TYR HB3 H 1 3.139 0.000 . . . . . . A 52 TYR HB3 . 30727 1 570 . 1 . 1 52 52 TYR HD1 H 1 6.799 0.000 . . . . . . A 52 TYR HD1 . 30727 1 571 . 1 . 1 52 52 TYR HD2 H 1 6.799 0.000 . . . . . . A 52 TYR HD2 . 30727 1 572 . 1 . 1 52 52 TYR HE1 H 1 6.561 0.002 . . . . . . A 52 TYR HE1 . 30727 1 573 . 1 . 1 52 52 TYR HE2 H 1 6.561 0.002 . . . . . . A 52 TYR HE2 . 30727 1 574 . 1 . 1 52 52 TYR CA C 13 55.760 0.000 . . . . . . A 52 TYR CA . 30727 1 575 . 1 . 1 52 52 TYR CB C 13 37.440 0.000 . . . . . . A 52 TYR CB . 30727 1 576 . 1 . 1 52 52 TYR CG C 13 129.470 0.000 . . . . . . A 52 TYR CG . 30727 1 577 . 1 . 1 52 52 TYR CD1 C 13 133.020 0.000 . . . . . . A 52 TYR CD1 . 30727 1 578 . 1 . 1 52 52 TYR CE1 C 13 118.560 0.000 . . . . . . A 52 TYR CE1 . 30727 1 579 . 1 . 1 52 52 TYR CZ C 13 157.500 0.000 . . . . . . A 52 TYR CZ . 30727 1 580 . 1 . 1 52 52 TYR N N 15 119.720 0.000 . . . . . . A 52 TYR N . 30727 1 581 . 1 . 1 53 53 GLU H H 1 8.673 0.000 . . . . . . A 53 GLU H . 30727 1 582 . 1 . 1 53 53 GLU HA H 1 3.787 0.001 . . . . . . A 53 GLU HA . 30727 1 583 . 1 . 1 53 53 GLU HB2 H 1 2.008 0.000 . . . . . . A 53 GLU HB2 . 30727 1 584 . 1 . 1 53 53 GLU HB3 H 1 2.031 0.000 . . . . . . A 53 GLU HB3 . 30727 1 585 . 1 . 1 53 53 GLU HG2 H 1 2.372 0.000 . . . . . . A 53 GLU HG2 . 30727 1 586 . 1 . 1 53 53 GLU HG3 H 1 2.372 0.000 . . . . . . A 53 GLU HG3 . 30727 1 587 . 1 . 1 53 53 GLU CA C 13 59.250 0.000 . . . . . . A 53 GLU CA . 30727 1 588 . 1 . 1 53 53 GLU CB C 13 29.280 0.000 . . . . . . A 53 GLU CB . 30727 1 589 . 1 . 1 53 53 GLU CG C 13 35.800 0.000 . . . . . . A 53 GLU CG . 30727 1 590 . 1 . 1 53 53 GLU CD C 13 183.170 0.000 . . . . . . A 53 GLU CD . 30727 1 591 . 1 . 1 53 53 GLU N N 15 119.270 0.000 . . . . . . A 53 GLU N . 30727 1 592 . 1 . 1 54 54 GLN H H 1 7.999 0.000 . . . . . . A 54 GLN H . 30727 1 593 . 1 . 1 54 54 GLN HA H 1 4.286 0.000 . . . . . . A 54 GLN HA . 30727 1 594 . 1 . 1 54 54 GLN HB2 H 1 2.026 0.000 . . . . . . A 54 GLN HB2 . 30727 1 595 . 1 . 1 54 54 GLN HB3 H 1 2.290 0.000 . . . . . . A 54 GLN HB3 . 30727 1 596 . 1 . 1 54 54 GLN HG2 H 1 2.422 0.000 . . . . . . A 54 GLN HG2 . 30727 1 597 . 1 . 1 54 54 GLN HG3 H 1 2.457 0.000 . . . . . . A 54 GLN HG3 . 30727 1 598 . 1 . 1 54 54 GLN HE21 H 1 6.827 0.000 . . . . . . A 54 GLN HE21 . 30727 1 599 . 1 . 1 54 54 GLN HE22 H 1 7.517 0.000 . . . . . . A 54 GLN HE22 . 30727 1 600 . 1 . 1 54 54 GLN CA C 13 56.100 0.000 . . . . . . A 54 GLN CA . 30727 1 601 . 1 . 1 54 54 GLN CB C 13 27.360 0.000 . . . . . . A 54 GLN CB . 30727 1 602 . 1 . 1 54 54 GLN CG C 13 34.160 0.000 . . . . . . A 54 GLN CG . 30727 1 603 . 1 . 1 54 54 GLN CD C 13 180.830 0.000 . . . . . . A 54 GLN CD . 30727 1 604 . 1 . 1 54 54 GLN N N 15 113.140 0.000 . . . . . . A 54 GLN N . 30727 1 605 . 1 . 1 54 54 GLN NE2 N 15 112.150 0.000 . . . . . . A 54 GLN NE2 . 30727 1 606 . 1 . 1 55 55 ALA H H 1 7.331 0.001 . . . . . . A 55 ALA H . 30727 1 607 . 1 . 1 55 55 ALA HA H 1 3.981 0.000 . . . . . . A 55 ALA HA . 30727 1 608 . 1 . 1 55 55 ALA HB1 H 1 0.751 0.000 . . . . . . A 55 ALA HB1 . 30727 1 609 . 1 . 1 55 55 ALA HB2 H 1 0.751 0.000 . . . . . . A 55 ALA HB2 . 30727 1 610 . 1 . 1 55 55 ALA HB3 H 1 0.751 0.000 . . . . . . A 55 ALA HB3 . 30727 1 611 . 1 . 1 55 55 ALA CA C 13 53.240 0.000 . . . . . . A 55 ALA CA . 30727 1 612 . 1 . 1 55 55 ALA CB C 13 20.060 0.000 . . . . . . A 55 ALA CB . 30727 1 613 . 1 . 1 55 55 ALA N N 15 124.080 0.000 . . . . . . A 55 ALA N . 30727 1 614 . 1 . 1 56 56 VAL H H 1 8.504 0.000 . . . . . . A 56 VAL H . 30727 1 615 . 1 . 1 56 56 VAL HA H 1 4.153 0.000 . . . . . . A 56 VAL HA . 30727 1 616 . 1 . 1 56 56 VAL HB H 1 2.058 0.000 . . . . . . A 56 VAL HB . 30727 1 617 . 1 . 1 56 56 VAL HG11 H 1 0.890 0.000 . . . . . . A 56 VAL HG11 . 30727 1 618 . 1 . 1 56 56 VAL HG12 H 1 0.890 0.000 . . . . . . A 56 VAL HG12 . 30727 1 619 . 1 . 1 56 56 VAL HG13 H 1 0.890 0.000 . . . . . . A 56 VAL HG13 . 30727 1 620 . 1 . 1 56 56 VAL HG21 H 1 1.027 0.001 . . . . . . A 56 VAL HG21 . 30727 1 621 . 1 . 1 56 56 VAL HG22 H 1 1.027 0.001 . . . . . . A 56 VAL HG22 . 30727 1 622 . 1 . 1 56 56 VAL HG23 H 1 1.027 0.001 . . . . . . A 56 VAL HG23 . 30727 1 623 . 1 . 1 56 56 VAL CA C 13 62.740 0.000 . . . . . . A 56 VAL CA . 30727 1 624 . 1 . 1 56 56 VAL CB C 13 31.970 0.000 . . . . . . A 56 VAL CB . 30727 1 625 . 1 . 1 56 56 VAL CG1 C 13 21.470 0.000 . . . . . . A 56 VAL CG1 . 30727 1 626 . 1 . 1 56 56 VAL CG2 C 13 21.920 0.000 . . . . . . A 56 VAL CG2 . 30727 1 627 . 1 . 1 56 56 VAL N N 15 123.380 0.000 . . . . . . A 56 VAL N . 30727 1 628 . 1 . 1 57 57 VAL H H 1 8.173 0.000 . . . . . . A 57 VAL H . 30727 1 629 . 1 . 1 57 57 VAL HA H 1 4.615 0.000 . . . . . . A 57 VAL HA . 30727 1 630 . 1 . 1 57 57 VAL HB H 1 2.270 0.000 . . . . . . A 57 VAL HB . 30727 1 631 . 1 . 1 57 57 VAL HG11 H 1 0.119 0.000 . . . . . . A 57 VAL HG11 . 30727 1 632 . 1 . 1 57 57 VAL HG12 H 1 0.119 0.000 . . . . . . A 57 VAL HG12 . 30727 1 633 . 1 . 1 57 57 VAL HG13 H 1 0.119 0.000 . . . . . . A 57 VAL HG13 . 30727 1 634 . 1 . 1 57 57 VAL HG21 H 1 0.703 0.002 . . . . . . A 57 VAL HG21 . 30727 1 635 . 1 . 1 57 57 VAL HG22 H 1 0.703 0.002 . . . . . . A 57 VAL HG22 . 30727 1 636 . 1 . 1 57 57 VAL HG23 H 1 0.703 0.002 . . . . . . A 57 VAL HG23 . 30727 1 637 . 1 . 1 57 57 VAL CB C 13 34.390 0.000 . . . . . . A 57 VAL CB . 30727 1 638 . 1 . 1 57 57 VAL CG1 C 13 20.800 0.000 . . . . . . A 57 VAL CG1 . 30727 1 639 . 1 . 1 57 57 VAL CG2 C 13 18.080 0.000 . . . . . . A 57 VAL CG2 . 30727 1 640 . 1 . 1 57 57 VAL N N 15 121.610 0.000 . . . . . . A 57 VAL N . 30727 1 641 . 1 . 1 58 58 TRP H H 1 8.539 0.000 . . . . . . A 58 TRP H . 30727 1 642 . 1 . 1 58 58 TRP HA H 1 4.035 0.002 . . . . . . A 58 TRP HA . 30727 1 643 . 1 . 1 58 58 TRP HB2 H 1 3.011 0.000 . . . . . . A 58 TRP HB2 . 30727 1 644 . 1 . 1 58 58 TRP HB3 H 1 3.429 0.009 . . . . . . A 58 TRP HB3 . 30727 1 645 . 1 . 1 58 58 TRP HD1 H 1 7.244 0.000 . . . . . . A 58 TRP HD1 . 30727 1 646 . 1 . 1 58 58 TRP HE1 H 1 9.983 0.002 . . . . . . A 58 TRP HE1 . 30727 1 647 . 1 . 1 58 58 TRP HE3 H 1 7.643 0.000 . . . . . . A 58 TRP HE3 . 30727 1 648 . 1 . 1 58 58 TRP HZ2 H 1 7.627 0.000 . . . . . . A 58 TRP HZ2 . 30727 1 649 . 1 . 1 58 58 TRP HZ3 H 1 7.300 0.000 . . . . . . A 58 TRP HZ3 . 30727 1 650 . 1 . 1 58 58 TRP HH2 H 1 7.343 0.003 . . . . . . A 58 TRP HH2 . 30727 1 651 . 1 . 1 58 58 TRP CA C 13 55.350 0.000 . . . . . . A 58 TRP CA . 30727 1 652 . 1 . 1 58 58 TRP CB C 13 38.780 0.000 . . . . . . A 58 TRP CB . 30727 1 653 . 1 . 1 58 58 TRP CG C 13 108.700 0.000 . . . . . . A 58 TRP CG . 30727 1 654 . 1 . 1 58 58 TRP CD1 C 13 127.800 0.000 . . . . . . A 58 TRP CD1 . 30727 1 655 . 1 . 1 58 58 TRP CD2 C 13 130.200 0.000 . . . . . . A 58 TRP CD2 . 30727 1 656 . 1 . 1 58 58 TRP CE2 C 13 138.300 0.000 . . . . . . A 58 TRP CE2 . 30727 1 657 . 1 . 1 58 58 TRP CE3 C 13 120.900 0.000 . . . . . . A 58 TRP CE3 . 30727 1 658 . 1 . 1 58 58 TRP CZ2 C 13 114.760 0.000 . . . . . . A 58 TRP CZ2 . 30727 1 659 . 1 . 1 58 58 TRP CZ3 C 13 125.090 0.000 . . . . . . A 58 TRP CZ3 . 30727 1 660 . 1 . 1 58 58 TRP CH2 C 13 122.710 0.000 . . . . . . A 58 TRP CH2 . 30727 1 661 . 1 . 1 58 58 TRP N N 15 118.800 0.000 . . . . . . A 58 TRP N . 30727 1 662 . 1 . 1 58 58 TRP NE1 N 15 129.960 0.000 . . . . . . A 58 TRP NE1 . 30727 1 663 . 1 . 1 59 59 PRO HA H 1 3.648 0.000 . . . . . . A 59 PRO HA . 30727 1 664 . 1 . 1 59 59 PRO HB2 H 1 1.374 0.000 . . . . . . A 59 PRO HB2 . 30727 1 665 . 1 . 1 59 59 PRO HB3 H 1 1.291 0.000 . . . . . . A 59 PRO HB3 . 30727 1 666 . 1 . 1 59 59 PRO HG2 H 1 0.103 0.000 . . . . . . A 59 PRO HG2 . 30727 1 667 . 1 . 1 59 59 PRO HG3 H 1 1.065 0.000 . . . . . . A 59 PRO HG3 . 30727 1 668 . 1 . 1 59 59 PRO HD2 H 1 3.372 0.000 . . . . . . A 59 PRO HD2 . 30727 1 669 . 1 . 1 59 59 PRO HD3 H 1 3.166 0.000 . . . . . . A 59 PRO HD3 . 30727 1 670 . 1 . 1 59 59 PRO CA C 13 61.600 0.000 . . . . . . A 59 PRO CA . 30727 1 671 . 1 . 1 59 59 PRO CB C 13 33.030 0.000 . . . . . . A 59 PRO CB . 30727 1 672 . 1 . 1 59 59 PRO CD C 13 50.100 0.000 . . . . . . A 59 PRO CD . 30727 1 673 . 1 . 1 60 60 LEU H H 1 8.771 0.000 . . . . . . A 60 LEU H . 30727 1 674 . 1 . 1 60 60 LEU HA H 1 4.526 0.000 . . . . . . A 60 LEU HA . 30727 1 675 . 1 . 1 60 60 LEU HB2 H 1 1.840 0.000 . . . . . . A 60 LEU HB2 . 30727 1 676 . 1 . 1 60 60 LEU HB3 H 1 1.580 0.001 . . . . . . A 60 LEU HB3 . 30727 1 677 . 1 . 1 60 60 LEU HG H 1 1.663 0.000 . . . . . . A 60 LEU HG . 30727 1 678 . 1 . 1 60 60 LEU HD11 H 1 0.907 0.000 . . . . . . A 60 LEU HD11 . 30727 1 679 . 1 . 1 60 60 LEU HD12 H 1 0.907 0.000 . . . . . . A 60 LEU HD12 . 30727 1 680 . 1 . 1 60 60 LEU HD13 H 1 0.907 0.000 . . . . . . A 60 LEU HD13 . 30727 1 681 . 1 . 1 60 60 LEU HD21 H 1 0.819 0.001 . . . . . . A 60 LEU HD21 . 30727 1 682 . 1 . 1 60 60 LEU HD22 H 1 0.819 0.001 . . . . . . A 60 LEU HD22 . 30727 1 683 . 1 . 1 60 60 LEU HD23 H 1 0.819 0.001 . . . . . . A 60 LEU HD23 . 30727 1 684 . 1 . 1 60 60 LEU CA C 13 52.220 0.000 . . . . . . A 60 LEU CA . 30727 1 685 . 1 . 1 60 60 LEU CB C 13 40.900 0.000 . . . . . . A 60 LEU CB . 30727 1 686 . 1 . 1 60 60 LEU CG C 13 26.980 0.000 . . . . . . A 60 LEU CG . 30727 1 687 . 1 . 1 60 60 LEU CD1 C 13 23.430 0.000 . . . . . . A 60 LEU CD1 . 30727 1 688 . 1 . 1 60 60 LEU CD2 C 13 26.530 0.000 . . . . . . A 60 LEU CD2 . 30727 1 689 . 1 . 1 60 60 LEU N N 15 120.800 0.000 . . . . . . A 60 LEU N . 30727 1 690 . 1 . 1 61 61 PRO HA H 1 4.160 0.000 . . . . . . A 61 PRO HA . 30727 1 691 . 1 . 1 61 61 PRO HB2 H 1 1.849 0.003 . . . . . . A 61 PRO HB2 . 30727 1 692 . 1 . 1 61 61 PRO HB3 H 1 2.246 0.000 . . . . . . A 61 PRO HB3 . 30727 1 693 . 1 . 1 61 61 PRO HG2 H 1 2.027 0.000 . . . . . . A 61 PRO HG2 . 30727 1 694 . 1 . 1 61 61 PRO HG3 H 1 2.027 0.000 . . . . . . A 61 PRO HG3 . 30727 1 695 . 1 . 1 61 61 PRO HD2 H 1 3.692 0.000 . . . . . . A 61 PRO HD2 . 30727 1 696 . 1 . 1 61 61 PRO HD3 H 1 3.861 0.000 . . . . . . A 61 PRO HD3 . 30727 1 697 . 1 . 1 61 61 PRO CA C 13 64.080 0.000 . . . . . . A 61 PRO CA . 30727 1 698 . 1 . 1 61 61 PRO CB C 13 31.700 0.000 . . . . . . A 61 PRO CB . 30727 1 699 . 1 . 1 61 61 PRO CG C 13 27.780 0.000 . . . . . . A 61 PRO CG . 30727 1 700 . 1 . 1 61 61 PRO CD C 13 50.400 0.000 . . . . . . A 61 PRO CD . 30727 1 701 . 1 . 1 62 62 ASN H H 1 8.247 0.000 . . . . . . A 62 ASN H . 30727 1 702 . 1 . 1 62 62 ASN HA H 1 4.639 0.000 . . . . . . A 62 ASN HA . 30727 1 703 . 1 . 1 62 62 ASN HB2 H 1 2.828 0.000 . . . . . . A 62 ASN HB2 . 30727 1 704 . 1 . 1 62 62 ASN HB3 H 1 2.857 0.000 . . . . . . A 62 ASN HB3 . 30727 1 705 . 1 . 1 62 62 ASN HD21 H 1 6.886 0.000 . . . . . . A 62 ASN HD21 . 30727 1 706 . 1 . 1 62 62 ASN HD22 H 1 7.549 0.000 . . . . . . A 62 ASN HD22 . 30727 1 707 . 1 . 1 62 62 ASN CA C 13 62.860 0.000 . . . . . . A 62 ASN CA . 30727 1 708 . 1 . 1 62 62 ASN CB C 13 38.480 0.000 . . . . . . A 62 ASN CB . 30727 1 709 . 1 . 1 62 62 ASN N N 15 112.160 0.000 . . . . . . A 62 ASN N . 30727 1 710 . 1 . 1 62 62 ASN ND2 N 15 113.100 0.000 . . . . . . A 62 ASN ND2 . 30727 1 711 . 1 . 1 63 63 LYS H H 1 7.032 0.000 . . . . . . A 63 LYS H . 30727 1 712 . 1 . 1 63 63 LYS HA H 1 4.477 0.000 . . . . . . A 63 LYS HA . 30727 1 713 . 1 . 1 63 63 LYS HB2 H 1 1.515 0.002 . . . . . . A 63 LYS HB2 . 30727 1 714 . 1 . 1 63 63 LYS HB3 H 1 1.573 0.002 . . . . . . A 63 LYS HB3 . 30727 1 715 . 1 . 1 63 63 LYS HG2 H 1 1.465 0.000 . . . . . . A 63 LYS HG2 . 30727 1 716 . 1 . 1 63 63 LYS HG3 H 1 1.465 0.000 . . . . . . A 63 LYS HG3 . 30727 1 717 . 1 . 1 63 63 LYS HD2 H 1 1.181 0.001 . . . . . . A 63 LYS HD2 . 30727 1 718 . 1 . 1 63 63 LYS HD3 H 1 1.181 0.001 . . . . . . A 63 LYS HD3 . 30727 1 719 . 1 . 1 63 63 LYS HE2 H 1 2.922 0.001 . . . . . . A 63 LYS HE2 . 30727 1 720 . 1 . 1 63 63 LYS HE3 H 1 2.922 0.001 . . . . . . A 63 LYS HE3 . 30727 1 721 . 1 . 1 63 63 LYS CA C 13 55.640 0.000 . . . . . . A 63 LYS CA . 30727 1 722 . 1 . 1 63 63 LYS CB C 13 34.090 0.000 . . . . . . A 63 LYS CB . 30727 1 723 . 1 . 1 63 63 LYS CD C 13 24.290 0.000 . . . . . . A 63 LYS CD . 30727 1 724 . 1 . 1 63 63 LYS CE C 13 42.250 0.000 . . . . . . A 63 LYS CE . 30727 1 725 . 1 . 1 63 63 LYS N N 15 120.020 0.000 . . . . . . A 63 LYS N . 30727 1 726 . 1 . 1 64 64 ARG H H 1 8.476 0.000 . . . . . . A 64 ARG H . 30727 1 727 . 1 . 1 64 64 ARG HA H 1 4.680 0.000 . . . . . . A 64 ARG HA . 30727 1 728 . 1 . 1 64 64 ARG HB2 H 1 1.678 0.000 . . . . . . A 64 ARG HB2 . 30727 1 729 . 1 . 1 64 64 ARG HB3 H 1 1.767 0.000 . . . . . . A 64 ARG HB3 . 30727 1 730 . 1 . 1 64 64 ARG HG2 H 1 1.556 0.000 . . . . . . A 64 ARG HG2 . 30727 1 731 . 1 . 1 64 64 ARG HG3 H 1 1.605 0.000 . . . . . . A 64 ARG HG3 . 30727 1 732 . 1 . 1 64 64 ARG HD2 H 1 3.164 0.000 . . . . . . A 64 ARG HD2 . 30727 1 733 . 1 . 1 64 64 ARG HE H 1 7.128 0.002 . . . . . . A 64 ARG HE . 30727 1 734 . 1 . 1 64 64 ARG CA C 13 55.000 0.000 . . . . . . A 64 ARG CA . 30727 1 735 . 1 . 1 64 64 ARG CB C 13 31.240 0.000 . . . . . . A 64 ARG CB . 30727 1 736 . 1 . 1 64 64 ARG CG C 13 27.110 0.000 . . . . . . A 64 ARG CG . 30727 1 737 . 1 . 1 64 64 ARG CD C 13 43.270 0.000 . . . . . . A 64 ARG CD . 30727 1 738 . 1 . 1 64 64 ARG N N 15 125.370 0.000 . . . . . . A 64 ARG N . 30727 1 739 . 1 . 1 65 65 CYS H H 1 8.747 0.000 . . . . . . A 65 CYS H . 30727 1 740 . 1 . 1 65 65 CYS HA H 1 4.671 0.000 . . . . . . A 65 CYS HA . 30727 1 741 . 1 . 1 65 65 CYS HB2 H 1 3.072 0.002 . . . . . . A 65 CYS HB2 . 30727 1 742 . 1 . 1 65 65 CYS HB3 H 1 3.279 0.003 . . . . . . A 65 CYS HB3 . 30727 1 743 . 1 . 1 65 65 CYS CA C 13 59.190 0.000 . . . . . . A 65 CYS CA . 30727 1 744 . 1 . 1 65 65 CYS CB C 13 42.100 0.000 . . . . . . A 65 CYS CB . 30727 1 745 . 1 . 1 65 65 CYS N N 15 123.260 0.000 . . . . . . A 65 CYS N . 30727 1 746 . 1 . 1 66 66 LYS H H 1 8.805 0.000 . . . . . . A 66 LYS H . 30727 1 747 . 1 . 1 66 66 LYS HA H 1 4.283 0.000 . . . . . . A 66 LYS HA . 30727 1 748 . 1 . 1 66 66 LYS HB2 H 1 1.826 0.001 . . . . . . A 66 LYS HB2 . 30727 1 749 . 1 . 1 66 66 LYS HB3 H 1 1.888 0.000 . . . . . . A 66 LYS HB3 . 30727 1 750 . 1 . 1 66 66 LYS HG2 H 1 1.458 0.000 . . . . . . A 66 LYS HG2 . 30727 1 751 . 1 . 1 66 66 LYS HG3 H 1 1.527 0.000 . . . . . . A 66 LYS HG3 . 30727 1 752 . 1 . 1 66 66 LYS HD2 H 1 1.706 0.000 . . . . . . A 66 LYS HD2 . 30727 1 753 . 1 . 1 66 66 LYS HD3 H 1 1.706 0.000 . . . . . . A 66 LYS HD3 . 30727 1 754 . 1 . 1 66 66 LYS HE2 H 1 3.013 0.000 . . . . . . A 66 LYS HE2 . 30727 1 755 . 1 . 1 66 66 LYS HE3 H 1 3.013 0.000 . . . . . . A 66 LYS HE3 . 30727 1 756 . 1 . 1 66 66 LYS HZ1 H 1 7.109 0.000 . . . . . . A 66 LYS HZ1 . 30727 1 757 . 1 . 1 66 66 LYS HZ2 H 1 7.428 0.000 . . . . . . A 66 LYS HZ2 . 30727 1 758 . 1 . 1 66 66 LYS HZ3 H 1 7.428 0.000 . . . . . . A 66 LYS HZ3 . 30727 1 759 . 1 . 1 66 66 LYS CA C 13 56.840 0.000 . . . . . . A 66 LYS CA . 30727 1 760 . 1 . 1 66 66 LYS CB C 13 32.900 0.000 . . . . . . A 66 LYS CB . 30727 1 761 . 1 . 1 66 66 LYS CG C 13 24.790 0.000 . . . . . . A 66 LYS CG . 30727 1 762 . 1 . 1 66 66 LYS CD C 13 29.100 0.000 . . . . . . A 66 LYS CD . 30727 1 763 . 1 . 1 66 66 LYS CE C 13 42.250 0.000 . . . . . . A 66 LYS CE . 30727 1 764 . 1 . 1 66 66 LYS N N 15 130.260 0.000 . . . . . . A 66 LYS N . 30727 1 765 . 1 . 1 66 66 LYS NZ N 15 107.990 0.000 . . . . . . A 66 LYS NZ . 30727 1 stop_ save_