################################### # 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 34963 _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 '3D 1H-15N NOESY' . . . 34963 1 2 '3D 1H-15N TOCSY' . . . 34963 1 3 '2D 1H-1H NOESY' . . . 34963 1 4 '2D 1H-1H TOCSY' . . . 34963 1 5 '2D DQF-COSY' . . . 34963 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 2 2 HIS HA H 1 4.720 0.000 . . . . . . A 18 HIS HA . 34963 1 2 . 1 . 1 2 2 HIS HB2 H 1 3.160 0.000 . . . . . . A 18 HIS HB2 . 34963 1 3 . 1 . 1 2 2 HIS HB3 H 1 3.200 0.000 . . . . . . A 18 HIS HB3 . 34963 1 4 . 1 . 1 2 2 HIS HD2 H 1 7.201 0.000 . . . . . . A 18 HIS HD2 . 34963 1 5 . 1 . 1 2 2 HIS HE1 H 1 8.307 0.000 . . . . . . A 18 HIS HE1 . 34963 1 6 . 1 . 1 3 3 MET H H 1 8.461 0.000 . . . . . . A 19 MET H . 34963 1 7 . 1 . 1 3 3 MET HA H 1 4.464 0.000 . . . . . . A 19 MET HA . 34963 1 8 . 1 . 1 3 3 MET HB2 H 1 1.975 0.000 . . . . . . A 19 MET HB2 . 34963 1 9 . 1 . 1 3 3 MET HB3 H 1 2.050 0.000 . . . . . . A 19 MET HB3 . 34963 1 10 . 1 . 1 3 3 MET HG2 H 1 2.510 0.000 . . . . . . A 19 MET HG2 . 34963 1 11 . 1 . 1 3 3 MET HG3 H 1 2.567 0.000 . . . . . . A 19 MET HG3 . 34963 1 12 . 1 . 1 3 3 MET N N 15 122.750 0.000 . . . . . . A 19 MET N . 34963 1 13 . 1 . 1 4 4 ALA H H 1 8.347 0.000 . . . . . . A 20 ALA H . 34963 1 14 . 1 . 1 4 4 ALA HA H 1 4.327 0.000 . . . . . . A 20 ALA HA . 34963 1 15 . 1 . 1 4 4 ALA HB1 H 1 1.358 0.000 . . . . . . A 20 ALA HB1 . 34963 1 16 . 1 . 1 4 4 ALA HB2 H 1 1.358 0.000 . . . . . . A 20 ALA HB2 . 34963 1 17 . 1 . 1 4 4 ALA HB3 H 1 1.358 0.000 . . . . . . A 20 ALA HB3 . 34963 1 18 . 1 . 1 4 4 ALA N N 15 126.310 0.000 . . . . . . A 20 ALA N . 34963 1 19 . 1 . 1 5 5 VAL H H 1 7.992 0.000 . . . . . . A 21 VAL H . 34963 1 20 . 1 . 1 5 5 VAL HA H 1 3.964 0.000 . . . . . . A 21 VAL HA . 34963 1 21 . 1 . 1 5 5 VAL HB H 1 1.853 0.000 . . . . . . A 21 VAL HB . 34963 1 22 . 1 . 1 5 5 VAL HG11 H 1 0.827 0.000 . . . . . . A 21 VAL HG11 . 34963 1 23 . 1 . 1 5 5 VAL HG12 H 1 0.827 0.000 . . . . . . A 21 VAL HG12 . 34963 1 24 . 1 . 1 5 5 VAL HG13 H 1 0.827 0.000 . . . . . . A 21 VAL HG13 . 34963 1 25 . 1 . 1 5 5 VAL HG21 H 1 0.527 0.000 . . . . . . A 21 VAL HG21 . 34963 1 26 . 1 . 1 5 5 VAL HG22 H 1 0.527 0.000 . . . . . . A 21 VAL HG22 . 34963 1 27 . 1 . 1 5 5 VAL HG23 H 1 0.527 0.000 . . . . . . A 21 VAL HG23 . 34963 1 28 . 1 . 1 5 5 VAL N N 15 120.650 0.000 . . . . . . A 21 VAL N . 34963 1 29 . 1 . 1 6 6 VAL H H 1 7.855 0.000 . . . . . . A 22 VAL H . 34963 1 30 . 1 . 1 6 6 VAL HA H 1 4.404 0.000 . . . . . . A 22 VAL HA . 34963 1 31 . 1 . 1 6 6 VAL HB H 1 2.055 0.000 . . . . . . A 22 VAL HB . 34963 1 32 . 1 . 1 6 6 VAL HG11 H 1 0.922 0.000 . . . . . . A 22 VAL HG11 . 34963 1 33 . 1 . 1 6 6 VAL HG12 H 1 0.922 0.000 . . . . . . A 22 VAL HG12 . 34963 1 34 . 1 . 1 6 6 VAL HG13 H 1 0.922 0.000 . . . . . . A 22 VAL HG13 . 34963 1 35 . 1 . 1 6 6 VAL HG21 H 1 0.859 0.000 . . . . . . A 22 VAL HG21 . 34963 1 36 . 1 . 1 6 6 VAL HG22 H 1 0.859 0.000 . . . . . . A 22 VAL HG22 . 34963 1 37 . 1 . 1 6 6 VAL HG23 H 1 0.859 0.000 . . . . . . A 22 VAL HG23 . 34963 1 38 . 1 . 1 6 6 VAL N N 15 122.450 0.000 . . . . . . A 22 VAL N . 34963 1 39 . 1 . 1 7 7 TYR H H 1 8.648 0.000 . . . . . . A 23 TYR H . 34963 1 40 . 1 . 1 7 7 TYR HA H 1 4.774 0.000 . . . . . . A 23 TYR HA . 34963 1 41 . 1 . 1 7 7 TYR HB2 H 1 2.626 0.000 . . . . . . A 23 TYR HB2 . 34963 1 42 . 1 . 1 7 7 TYR HB3 H 1 2.780 0.000 . . . . . . A 23 TYR HB3 . 34963 1 43 . 1 . 1 7 7 TYR HD1 H 1 7.265 0.000 . 3 . . . . A 23 TYR HD1 . 34963 1 44 . 1 . 1 7 7 TYR HD2 H 1 7.265 0.000 . 3 . . . . A 23 TYR HD2 . 34963 1 45 . 1 . 1 7 7 TYR HE1 H 1 6.779 0.000 . 3 . . . . A 23 TYR HE1 . 34963 1 46 . 1 . 1 7 7 TYR HE2 H 1 6.779 0.000 . 3 . . . . A 23 TYR HE2 . 34963 1 47 . 1 . 1 7 7 TYR N N 15 123.140 0.000 . . . . . . A 23 TYR N . 34963 1 48 . 1 . 1 8 8 ALA H H 1 8.701 0.000 . . . . . . A 24 ALA H . 34963 1 49 . 1 . 1 8 8 ALA HA H 1 4.689 0.000 . . . . . . A 24 ALA HA . 34963 1 50 . 1 . 1 8 8 ALA HB1 H 1 1.252 0.000 . . . . . . A 24 ALA HB1 . 34963 1 51 . 1 . 1 8 8 ALA HB2 H 1 1.252 0.000 . . . . . . A 24 ALA HB2 . 34963 1 52 . 1 . 1 8 8 ALA HB3 H 1 1.252 0.000 . . . . . . A 24 ALA HB3 . 34963 1 53 . 1 . 1 8 8 ALA N N 15 125.530 0.000 . . . . . . A 24 ALA N . 34963 1 54 . 1 . 1 9 9 ALA H H 1 8.793 0.000 . . . . . . A 25 ALA H . 34963 1 55 . 1 . 1 9 9 ALA HA H 1 4.796 0.000 . . . . . . A 25 ALA HA . 34963 1 56 . 1 . 1 9 9 ALA HB1 H 1 0.612 0.000 . . . . . . A 25 ALA HB1 . 34963 1 57 . 1 . 1 9 9 ALA HB2 H 1 0.612 0.000 . . . . . . A 25 ALA HB2 . 34963 1 58 . 1 . 1 9 9 ALA HB3 H 1 0.612 0.000 . . . . . . A 25 ALA HB3 . 34963 1 59 . 1 . 1 9 9 ALA N N 15 122.840 0.000 . . . . . . A 25 ALA N . 34963 1 60 . 1 . 1 10 10 ARG H H 1 9.586 0.000 . . . . . . A 26 ARG H . 34963 1 61 . 1 . 1 10 10 ARG HA H 1 4.876 0.000 . . . . . . A 26 ARG HA . 34963 1 62 . 1 . 1 10 10 ARG HB2 H 1 1.806 0.000 . . . . . . A 26 ARG HB2 . 34963 1 63 . 1 . 1 10 10 ARG HB3 H 1 1.858 0.000 . . . . . . A 26 ARG HB3 . 34963 1 64 . 1 . 1 10 10 ARG HG2 H 1 1.676 0.000 . . . . . . A 26 ARG HG2 . 34963 1 65 . 1 . 1 10 10 ARG HG3 H 1 1.701 0.000 . . . . . . A 26 ARG HG3 . 34963 1 66 . 1 . 1 10 10 ARG HD2 H 1 3.224 0.000 . . . . . . A 26 ARG HD2 . 34963 1 67 . 1 . 1 10 10 ARG HD3 H 1 3.296 0.000 . . . . . . A 26 ARG HD3 . 34963 1 68 . 1 . 1 10 10 ARG HE H 1 7.594 0.000 . . . . . . A 26 ARG HE . 34963 1 69 . 1 . 1 10 10 ARG N N 15 123.330 0.000 . . . . . . A 26 ARG N . 34963 1 70 . 1 . 1 10 10 ARG NE N 15 86.780 0.000 . . . . . . A 26 ARG NE . 34963 1 71 . 1 . 1 11 11 CYS H H 1 8.091 0.000 . . . . . . A 27 CYS H . 34963 1 72 . 1 . 1 11 11 CYS HA H 1 5.476 0.000 . . . . . . A 27 CYS HA . 34963 1 73 . 1 . 1 11 11 CYS HB2 H 1 2.625 0.000 . . . . . . A 27 CYS HB2 . 34963 1 74 . 1 . 1 11 11 CYS HB3 H 1 3.257 0.000 . . . . . . A 27 CYS HB3 . 34963 1 75 . 1 . 1 11 11 CYS N N 15 122.990 0.000 . . . . . . A 27 CYS N . 34963 1 76 . 1 . 1 12 12 LYS H H 1 9.075 0.000 . . . . . . A 28 LYS H . 34963 1 77 . 1 . 1 12 12 LYS HA H 1 5.010 0.000 . . . . . . A 28 LYS HA . 34963 1 78 . 1 . 1 12 12 LYS HB2 H 1 1.558 0.000 . . . . . . A 28 LYS HB2 . 34963 1 79 . 1 . 1 12 12 LYS HB3 H 1 1.890 0.000 . . . . . . A 28 LYS HB3 . 34963 1 80 . 1 . 1 12 12 LYS HG2 H 1 0.858 0.000 . . . . . . A 28 LYS HG2 . 34963 1 81 . 1 . 1 12 12 LYS HG3 H 1 0.900 0.000 . . . . . . A 28 LYS HG3 . 34963 1 82 . 1 . 1 12 12 LYS HD2 H 1 1.527 0.000 . . . . . . A 28 LYS HD2 . 34963 1 83 . 1 . 1 12 12 LYS HD3 H 1 1.706 0.000 . . . . . . A 28 LYS HD3 . 34963 1 84 . 1 . 1 12 12 LYS HE2 H 1 2.804 0.000 . . . . . . A 28 LYS HE2 . 34963 1 85 . 1 . 1 12 12 LYS HE3 H 1 2.897 0.000 . . . . . . A 28 LYS HE3 . 34963 1 86 . 1 . 1 12 12 LYS N N 15 127.630 0.000 . . . . . . A 28 LYS N . 34963 1 87 . 1 . 1 13 13 PHE H H 1 8.885 0.000 . . . . . . A 29 PHE H . 34963 1 88 . 1 . 1 13 13 PHE HA H 1 4.786 0.000 . . . . . . A 29 PHE HA . 34963 1 89 . 1 . 1 13 13 PHE HB2 H 1 2.972 0.000 . . . . . . A 29 PHE HB2 . 34963 1 90 . 1 . 1 13 13 PHE HB3 H 1 3.226 0.000 . . . . . . A 29 PHE HB3 . 34963 1 91 . 1 . 1 13 13 PHE HD1 H 1 7.285 0.000 . 3 . . . . A 29 PHE HD1 . 34963 1 92 . 1 . 1 13 13 PHE HD2 H 1 7.285 0.000 . 3 . . . . A 29 PHE HD2 . 34963 1 93 . 1 . 1 13 13 PHE HE1 H 1 7.137 0.000 . 3 . . . . A 29 PHE HE1 . 34963 1 94 . 1 . 1 13 13 PHE HE2 H 1 7.137 0.000 . 3 . . . . A 29 PHE HE2 . 34963 1 95 . 1 . 1 13 13 PHE HZ H 1 7.103 0.000 . . . . . . A 29 PHE HZ . 34963 1 96 . 1 . 1 13 13 PHE N N 15 117.820 0.000 . . . . . . A 29 PHE N . 34963 1 97 . 1 . 1 14 14 GLY H H 1 8.759 0.000 . . . . . . A 30 GLY H . 34963 1 98 . 1 . 1 14 14 GLY HA2 H 1 4.441 0.000 . . . . . . A 30 GLY HA2 . 34963 1 99 . 1 . 1 14 14 GLY HA3 H 1 3.752 0.000 . . . . . . A 30 GLY HA3 . 34963 1 100 . 1 . 1 14 14 GLY N N 15 108.590 0.000 . . . . . . A 30 GLY N . 34963 1 101 . 1 . 1 15 15 ASN H H 1 7.809 0.000 . . . . . . A 31 ASN H . 34963 1 102 . 1 . 1 15 15 ASN HA H 1 4.831 0.000 . . . . . . A 31 ASN HA . 34963 1 103 . 1 . 1 15 15 ASN HB2 H 1 2.641 0.000 . . . . . . A 31 ASN HB2 . 34963 1 104 . 1 . 1 15 15 ASN HB3 H 1 2.883 0.000 . . . . . . A 31 ASN HB3 . 34963 1 105 . 1 . 1 15 15 ASN HD21 H 1 7.563 0.000 . . . . . . A 31 ASN HD21 . 34963 1 106 . 1 . 1 15 15 ASN HD22 H 1 6.860 0.000 . . . . . . A 31 ASN HD22 . 34963 1 107 . 1 . 1 15 15 ASN N N 15 114.200 0.000 . . . . . . A 31 ASN N . 34963 1 108 . 1 . 1 15 15 ASN ND2 N 15 111.910 0.000 . . . . . . A 31 ASN ND2 . 34963 1 109 . 1 . 1 16 16 PRO HA H 1 4.769 0.000 . . . . . . A 32 PRO HA . 34963 1 110 . 1 . 1 16 16 PRO HB2 H 1 2.034 0.000 . . . . . . A 32 PRO HB2 . 34963 1 111 . 1 . 1 16 16 PRO HB3 H 1 2.436 0.000 . . . . . . A 32 PRO HB3 . 34963 1 112 . 1 . 1 16 16 PRO HG2 H 1 1.840 0.000 . . . . . . A 32 PRO HG2 . 34963 1 113 . 1 . 1 16 16 PRO HG3 H 1 1.949 0.000 . . . . . . A 32 PRO HG3 . 34963 1 114 . 1 . 1 16 16 PRO HD2 H 1 3.509 0.000 . . . . . . A 32 PRO HD2 . 34963 1 115 . 1 . 1 16 16 PRO HD3 H 1 3.635 0.000 . . . . . . A 32 PRO HD3 . 34963 1 116 . 1 . 1 17 17 LEU H H 1 8.320 0.000 . . . . . . A 33 LEU H . 34963 1 117 . 1 . 1 17 17 LEU HA H 1 3.984 0.000 . . . . . . A 33 LEU HA . 34963 1 118 . 1 . 1 17 17 LEU HB2 H 1 1.188 0.000 . . . . . . A 33 LEU HB2 . 34963 1 119 . 1 . 1 17 17 LEU HB3 H 1 1.712 0.000 . . . . . . A 33 LEU HB3 . 34963 1 120 . 1 . 1 17 17 LEU HG H 1 1.731 0.000 . . . . . . A 33 LEU HG . 34963 1 121 . 1 . 1 17 17 LEU HD11 H 1 0.887 0.000 . . . . . . A 33 LEU HD11 . 34963 1 122 . 1 . 1 17 17 LEU HD12 H 1 0.887 0.000 . . . . . . A 33 LEU HD12 . 34963 1 123 . 1 . 1 17 17 LEU HD13 H 1 0.887 0.000 . . . . . . A 33 LEU HD13 . 34963 1 124 . 1 . 1 17 17 LEU HD21 H 1 0.845 0.000 . . . . . . A 33 LEU HD21 . 34963 1 125 . 1 . 1 17 17 LEU HD22 H 1 0.845 0.000 . . . . . . A 33 LEU HD22 . 34963 1 126 . 1 . 1 17 17 LEU HD23 H 1 0.845 0.000 . . . . . . A 33 LEU HD23 . 34963 1 127 . 1 . 1 17 17 LEU N N 15 120.740 0.000 . . . . . . A 33 LEU N . 34963 1 128 . 1 . 1 18 18 VAL H H 1 8.957 0.000 . . . . . . A 34 VAL H . 34963 1 129 . 1 . 1 18 18 VAL HA H 1 4.608 0.000 . . . . . . A 34 VAL HA . 34963 1 130 . 1 . 1 18 18 VAL HB H 1 2.206 0.000 . . . . . . A 34 VAL HB . 34963 1 131 . 1 . 1 18 18 VAL HG11 H 1 1.061 0.000 . . . . . . A 34 VAL HG11 . 34963 1 132 . 1 . 1 18 18 VAL HG12 H 1 1.061 0.000 . . . . . . A 34 VAL HG12 . 34963 1 133 . 1 . 1 18 18 VAL HG13 H 1 1.061 0.000 . . . . . . A 34 VAL HG13 . 34963 1 134 . 1 . 1 18 18 VAL HG21 H 1 1.032 0.000 . . . . . . A 34 VAL HG21 . 34963 1 135 . 1 . 1 18 18 VAL HG22 H 1 1.032 0.000 . . . . . . A 34 VAL HG22 . 34963 1 136 . 1 . 1 18 18 VAL HG23 H 1 1.032 0.000 . . . . . . A 34 VAL HG23 . 34963 1 137 . 1 . 1 18 18 VAL N N 15 122.160 0.000 . . . . . . A 34 VAL N . 34963 1 138 . 1 . 1 19 19 GLN H H 1 9.544 0.000 . . . . . . A 35 GLN H . 34963 1 139 . 1 . 1 19 19 GLN HA H 1 4.071 0.000 . . . . . . A 35 GLN HA . 34963 1 140 . 1 . 1 19 19 GLN HB2 H 1 2.269 0.000 . . . . . . A 35 GLN HB2 . 34963 1 141 . 1 . 1 19 19 GLN HB3 H 1 2.206 0.000 . . . . . . A 35 GLN HB3 . 34963 1 142 . 1 . 1 19 19 GLN HG2 H 1 2.469 0.000 . . . . . . A 35 GLN HG2 . 34963 1 143 . 1 . 1 19 19 GLN HG3 H 1 2.491 0.000 . . . . . . A 35 GLN HG3 . 34963 1 144 . 1 . 1 19 19 GLN HE21 H 1 8.350 0.000 . . . . . . A 35 GLN HE21 . 34963 1 145 . 1 . 1 19 19 GLN HE22 H 1 7.523 0.000 . . . . . . A 35 GLN HE22 . 34963 1 146 . 1 . 1 19 19 GLN N N 15 126.550 0.000 . . . . . . A 35 GLN N . 34963 1 147 . 1 . 1 19 19 GLN NE2 N 15 115.840 0.000 . . . . . . A 35 GLN NE2 . 34963 1 148 . 1 . 1 20 20 ASN H H 1 8.107 0.000 . . . . . . A 36 ASN H . 34963 1 149 . 1 . 1 20 20 ASN HA H 1 5.167 0.000 . . . . . . A 36 ASN HA . 34963 1 150 . 1 . 1 20 20 ASN HB2 H 1 2.754 0.000 . . . . . . A 36 ASN HB2 . 34963 1 151 . 1 . 1 20 20 ASN HB3 H 1 2.802 0.000 . . . . . . A 36 ASN HB3 . 34963 1 152 . 1 . 1 20 20 ASN HD21 H 1 7.218 0.000 . . . . . . A 36 ASN HD21 . 34963 1 153 . 1 . 1 20 20 ASN HD22 H 1 6.804 0.000 . . . . . . A 36 ASN HD22 . 34963 1 154 . 1 . 1 20 20 ASN N N 15 123.870 0.000 . . . . . . A 36 ASN N . 34963 1 155 . 1 . 1 20 20 ASN ND2 N 15 113.990 0.000 . . . . . . A 36 ASN ND2 . 34963 1 156 . 1 . 1 21 21 ASN HA H 1 4.429 0.000 . . . . . . A 37 ASN HA . 34963 1 157 . 1 . 1 21 21 ASN HB2 H 1 2.964 0.000 . . . . . . A 37 ASN HB2 . 34963 1 158 . 1 . 1 21 21 ASN HB3 H 1 3.029 0.000 . . . . . . A 37 ASN HB3 . 34963 1 159 . 1 . 1 21 21 ASN HD21 H 1 7.803 0.000 . . . . . . A 37 ASN HD21 . 34963 1 160 . 1 . 1 21 21 ASN HD22 H 1 7.114 0.000 . . . . . . A 37 ASN HD22 . 34963 1 161 . 1 . 1 21 21 ASN ND2 N 15 111.870 0.000 . . . . . . A 37 ASN ND2 . 34963 1 162 . 1 . 1 22 22 ARG H H 1 8.362 0.000 . . . . . . A 38 ARG H . 34963 1 163 . 1 . 1 22 22 ARG HA H 1 3.859 0.000 . . . . . . A 38 ARG HA . 34963 1 164 . 1 . 1 22 22 ARG HB2 H 1 1.897 0.000 . . . . . . A 38 ARG HB2 . 34963 1 165 . 1 . 1 22 22 ARG HB3 H 1 1.920 0.000 . . . . . . A 38 ARG HB3 . 34963 1 166 . 1 . 1 22 22 ARG HG2 H 1 1.434 0.000 . . . . . . A 38 ARG HG2 . 34963 1 167 . 1 . 1 22 22 ARG HG3 H 1 1.631 0.000 . . . . . . A 38 ARG HG3 . 34963 1 168 . 1 . 1 22 22 ARG HD2 H 1 3.152 0.000 . . . . . . A 38 ARG HD2 . 34963 1 169 . 1 . 1 22 22 ARG HD3 H 1 3.236 0.000 . . . . . . A 38 ARG HD3 . 34963 1 170 . 1 . 1 22 22 ARG HE H 1 7.406 0.000 . . . . . . A 38 ARG HE . 34963 1 171 . 1 . 1 22 22 ARG N N 15 122.840 0.000 . . . . . . A 38 ARG N . 34963 1 172 . 1 . 1 22 22 ARG NE N 15 84.100 0.000 . . . . . . A 38 ARG NE . 34963 1 173 . 1 . 1 23 23 ILE H H 1 8.526 0.000 . . . . . . A 39 ILE H . 34963 1 174 . 1 . 1 23 23 ILE HA H 1 3.523 0.000 . . . . . . A 39 ILE HA . 34963 1 175 . 1 . 1 23 23 ILE HB H 1 1.511 0.000 . . . . . . A 39 ILE HB . 34963 1 176 . 1 . 1 23 23 ILE HG12 H 1 0.846 0.000 . . . . . . A 39 ILE HG12 . 34963 1 177 . 1 . 1 23 23 ILE HG13 H 1 1.173 0.000 . . . . . . A 39 ILE HG13 . 34963 1 178 . 1 . 1 23 23 ILE HG21 H 1 0.795 0.000 . . . . . . A 39 ILE HG21 . 34963 1 179 . 1 . 1 23 23 ILE HG22 H 1 0.795 0.000 . . . . . . A 39 ILE HG22 . 34963 1 180 . 1 . 1 23 23 ILE HG23 H 1 0.795 0.000 . . . . . . A 39 ILE HG23 . 34963 1 181 . 1 . 1 23 23 ILE HD11 H 1 0.299 0.000 . . . . . . A 39 ILE HD11 . 34963 1 182 . 1 . 1 23 23 ILE HD12 H 1 0.299 0.000 . . . . . . A 39 ILE HD12 . 34963 1 183 . 1 . 1 23 23 ILE HD13 H 1 0.299 0.000 . . . . . . A 39 ILE HD13 . 34963 1 184 . 1 . 1 23 23 ILE N N 15 119.330 0.000 . . . . . . A 39 ILE N . 34963 1 185 . 1 . 1 24 24 THR H H 1 8.637 0.000 . . . . . . A 40 THR H . 34963 1 186 . 1 . 1 24 24 THR HA H 1 3.787 0.000 . . . . . . A 40 THR HA . 34963 1 187 . 1 . 1 24 24 THR HB H 1 4.548 0.000 . . . . . . A 40 THR HB . 34963 1 188 . 1 . 1 24 24 THR HG1 H 1 5.131 0.000 . . . . . . A 40 THR HG1 . 34963 1 189 . 1 . 1 24 24 THR HG21 H 1 1.811 0.000 . . . . . . A 40 THR HG21 . 34963 1 190 . 1 . 1 24 24 THR HG22 H 1 1.811 0.000 . . . . . . A 40 THR HG22 . 34963 1 191 . 1 . 1 24 24 THR HG23 H 1 1.811 0.000 . . . . . . A 40 THR HG23 . 34963 1 192 . 1 . 1 24 24 THR N N 15 116.990 0.000 . . . . . . A 40 THR N . 34963 1 193 . 1 . 1 25 25 ARG H H 1 8.366 0.000 . . . . . . A 41 ARG H . 34963 1 194 . 1 . 1 25 25 ARG HA H 1 3.279 0.000 . . . . . . A 41 ARG HA . 34963 1 195 . 1 . 1 25 25 ARG HB2 H 1 0.389 0.000 . . . . . . A 41 ARG HB2 . 34963 1 196 . 1 . 1 25 25 ARG HB3 H 1 1.401 0.000 . . . . . . A 41 ARG HB3 . 34963 1 197 . 1 . 1 25 25 ARG HG2 H 1 0.922 0.000 . . . . . . A 41 ARG HG2 . 34963 1 198 . 1 . 1 25 25 ARG HG3 H 1 1.225 0.000 . . . . . . A 41 ARG HG3 . 34963 1 199 . 1 . 1 25 25 ARG HD2 H 1 2.886 0.000 . . . . . . A 41 ARG HD2 . 34963 1 200 . 1 . 1 25 25 ARG HD3 H 1 2.988 0.000 . . . . . . A 41 ARG HD3 . 34963 1 201 . 1 . 1 25 25 ARG HE H 1 7.870 0.000 . . . . . . A 41 ARG HE . 34963 1 202 . 1 . 1 25 25 ARG N N 15 123.430 0.000 . . . . . . A 41 ARG N . 34963 1 203 . 1 . 1 25 25 ARG NE N 15 85.970 0.000 . . . . . . A 41 ARG NE . 34963 1 204 . 1 . 1 26 26 ALA H H 1 7.378 0.000 . . . . . . A 42 ALA H . 34963 1 205 . 1 . 1 26 26 ALA HA H 1 4.112 0.000 . . . . . . A 42 ALA HA . 34963 1 206 . 1 . 1 26 26 ALA HB1 H 1 1.359 0.000 . . . . . . A 42 ALA HB1 . 34963 1 207 . 1 . 1 26 26 ALA HB2 H 1 1.359 0.000 . . . . . . A 42 ALA HB2 . 34963 1 208 . 1 . 1 26 26 ALA HB3 H 1 1.359 0.000 . . . . . . A 42 ALA HB3 . 34963 1 209 . 1 . 1 26 26 ALA N N 15 120.740 0.000 . . . . . . A 42 ALA N . 34963 1 210 . 1 . 1 27 27 VAL H H 1 8.940 0.000 . . . . . . A 43 VAL H . 34963 1 211 . 1 . 1 27 27 VAL HA H 1 3.408 0.000 . . . . . . A 43 VAL HA . 34963 1 212 . 1 . 1 27 27 VAL HB H 1 1.828 0.000 . . . . . . A 43 VAL HB . 34963 1 213 . 1 . 1 27 27 VAL HG11 H 1 0.890 0.000 . . . . . . A 43 VAL HG11 . 34963 1 214 . 1 . 1 27 27 VAL HG12 H 1 0.890 0.000 . . . . . . A 43 VAL HG12 . 34963 1 215 . 1 . 1 27 27 VAL HG13 H 1 0.890 0.000 . . . . . . A 43 VAL HG13 . 34963 1 216 . 1 . 1 27 27 VAL HG21 H 1 0.186 0.000 . . . . . . A 43 VAL HG21 . 34963 1 217 . 1 . 1 27 27 VAL HG22 H 1 0.186 0.000 . . . . . . A 43 VAL HG22 . 34963 1 218 . 1 . 1 27 27 VAL HG23 H 1 0.186 0.000 . . . . . . A 43 VAL HG23 . 34963 1 219 . 1 . 1 27 27 VAL N N 15 117.930 0.000 . . . . . . A 43 VAL N . 34963 1 220 . 1 . 1 28 28 CYS H H 1 9.129 0.000 . . . . . . A 44 CYS H . 34963 1 221 . 1 . 1 28 28 CYS HA H 1 4.330 0.000 . . . . . . A 44 CYS HA . 34963 1 222 . 1 . 1 28 28 CYS HB2 H 1 3.622 0.000 . . . . . . A 44 CYS HB2 . 34963 1 223 . 1 . 1 28 28 CYS HB3 H 1 3.787 0.000 . . . . . . A 44 CYS HB3 . 34963 1 224 . 1 . 1 28 28 CYS N N 15 127.630 0.000 . . . . . . A 44 CYS N . 34963 1 225 . 1 . 1 29 29 ASP H H 1 8.423 0.000 . . . . . . A 45 ASP H . 34963 1 226 . 1 . 1 29 29 ASP HA H 1 4.585 0.000 . . . . . . A 45 ASP HA . 34963 1 227 . 1 . 1 29 29 ASP HB2 H 1 2.759 0.000 . . . . . . A 45 ASP HB2 . 34963 1 228 . 1 . 1 29 29 ASP HB3 H 1 2.820 0.000 . . . . . . A 45 ASP HB3 . 34963 1 229 . 1 . 1 29 29 ASP N N 15 119.180 0.000 . . . . . . A 45 ASP N . 34963 1 230 . 1 . 1 30 30 LEU H H 1 8.290 0.000 . . . . . . A 46 LEU H . 34963 1 231 . 1 . 1 30 30 LEU HA H 1 3.939 0.000 . . . . . . A 46 LEU HA . 34963 1 232 . 1 . 1 30 30 LEU HB2 H 1 0.319 0.000 . . . . . . A 46 LEU HB2 . 34963 1 233 . 1 . 1 30 30 LEU HB3 H 1 1.482 0.000 . . . . . . A 46 LEU HB3 . 34963 1 234 . 1 . 1 30 30 LEU HG H 1 1.561 0.000 . . . . . . A 46 LEU HG . 34963 1 235 . 1 . 1 30 30 LEU HD11 H 1 0.582 0.000 . . . . . . A 46 LEU HD11 . 34963 1 236 . 1 . 1 30 30 LEU HD12 H 1 0.582 0.000 . . . . . . A 46 LEU HD12 . 34963 1 237 . 1 . 1 30 30 LEU HD13 H 1 0.582 0.000 . . . . . . A 46 LEU HD13 . 34963 1 238 . 1 . 1 30 30 LEU HD21 H 1 0.621 0.000 . . . . . . A 46 LEU HD21 . 34963 1 239 . 1 . 1 30 30 LEU HD22 H 1 0.621 0.000 . . . . . . A 46 LEU HD22 . 34963 1 240 . 1 . 1 30 30 LEU HD23 H 1 0.621 0.000 . . . . . . A 46 LEU HD23 . 34963 1 241 . 1 . 1 30 30 LEU N N 15 122.650 0.000 . . . . . . A 46 LEU N . 34963 1 242 . 1 . 1 31 31 THR H H 1 8.461 0.000 . . . . . . A 47 THR H . 34963 1 243 . 1 . 1 31 31 THR HA H 1 3.762 0.000 . . . . . . A 47 THR HA . 34963 1 244 . 1 . 1 31 31 THR HB H 1 4.120 0.000 . . . . . . A 47 THR HB . 34963 1 245 . 1 . 1 31 31 THR HG21 H 1 -0.170 0.000 . . . . . . A 47 THR HG21 . 34963 1 246 . 1 . 1 31 31 THR HG22 H 1 -0.170 0.000 . . . . . . A 47 THR HG22 . 34963 1 247 . 1 . 1 31 31 THR HG23 H 1 -0.170 0.000 . . . . . . A 47 THR HG23 . 34963 1 248 . 1 . 1 31 31 THR N N 15 118.940 0.000 . . . . . . A 47 THR N . 34963 1 249 . 1 . 1 32 32 ASN H H 1 8.259 0.000 . . . . . . A 48 ASN H . 34963 1 250 . 1 . 1 32 32 ASN HA H 1 4.970 0.000 . . . . . . A 48 ASN HA . 34963 1 251 . 1 . 1 32 32 ASN HB2 H 1 3.782 0.000 . . . . . . A 48 ASN HB2 . 34963 1 252 . 1 . 1 32 32 ASN HB3 H 1 3.328 0.000 . . . . . . A 48 ASN HB3 . 34963 1 253 . 1 . 1 32 32 ASN HD21 H 1 8.386 0.000 . . . . . . A 48 ASN HD21 . 34963 1 254 . 1 . 1 32 32 ASN HD22 H 1 7.462 0.000 . . . . . . A 48 ASN HD22 . 34963 1 255 . 1 . 1 32 32 ASN N N 15 121.280 0.000 . . . . . . A 48 ASN N . 34963 1 256 . 1 . 1 32 32 ASN ND2 N 15 118.450 0.000 . . . . . . A 48 ASN ND2 . 34963 1 257 . 1 . 1 33 33 GLU H H 1 8.421 0.000 . . . . . . A 49 GLU H . 34963 1 258 . 1 . 1 33 33 GLU HA H 1 3.973 0.000 . . . . . . A 49 GLU HA . 34963 1 259 . 1 . 1 33 33 GLU HB2 H 1 1.871 0.000 . . . . . . A 49 GLU HB2 . 34963 1 260 . 1 . 1 33 33 GLU HB3 H 1 2.099 0.000 . . . . . . A 49 GLU HB3 . 34963 1 261 . 1 . 1 33 33 GLU HG2 H 1 1.893 0.000 . . . . . . A 49 GLU HG2 . 34963 1 262 . 1 . 1 33 33 GLU HG3 H 1 2.039 0.000 . . . . . . A 49 GLU HG3 . 34963 1 263 . 1 . 1 33 33 GLU N N 15 118.400 0.000 . . . . . . A 49 GLU N . 34963 1 264 . 1 . 1 34 34 HIS H H 1 7.821 0.000 . . . . . . A 50 HIS H . 34963 1 265 . 1 . 1 34 34 HIS HA H 1 4.816 0.000 . . . . . . A 50 HIS HA . 34963 1 266 . 1 . 1 34 34 HIS HB2 H 1 3.044 0.000 . . . . . . A 50 HIS HB2 . 34963 1 267 . 1 . 1 34 34 HIS HB3 H 1 3.802 0.000 . . . . . . A 50 HIS HB3 . 34963 1 268 . 1 . 1 34 34 HIS HD2 H 1 7.285 0.000 . . . . . . A 50 HIS HD2 . 34963 1 269 . 1 . 1 34 34 HIS HE1 H 1 8.326 0.000 . . . . . . A 50 HIS HE1 . 34963 1 270 . 1 . 1 34 34 HIS N N 15 111.580 0.000 . . . . . . A 50 HIS N . 34963 1 271 . 1 . 1 35 35 THR H H 1 7.457 0.000 . . . . . . A 51 THR H . 34963 1 272 . 1 . 1 35 35 THR HA H 1 4.780 0.000 . . . . . . A 51 THR HA . 34963 1 273 . 1 . 1 35 35 THR HB H 1 4.760 0.000 . . . . . . A 51 THR HB . 34963 1 274 . 1 . 1 35 35 THR HG21 H 1 1.382 0.000 . . . . . . A 51 THR HG21 . 34963 1 275 . 1 . 1 35 35 THR HG22 H 1 1.382 0.000 . . . . . . A 51 THR HG22 . 34963 1 276 . 1 . 1 35 35 THR HG23 H 1 1.382 0.000 . . . . . . A 51 THR HG23 . 34963 1 277 . 1 . 1 35 35 THR N N 15 110.920 0.000 . . . . . . A 51 THR N . 34963 1 278 . 1 . 1 36 36 THR H H 1 9.468 0.000 . . . . . . A 52 THR H . 34963 1 279 . 1 . 1 36 36 THR HA H 1 4.442 0.000 . . . . . . A 52 THR HA . 34963 1 280 . 1 . 1 36 36 THR HB H 1 4.557 0.000 . . . . . . A 52 THR HB . 34963 1 281 . 1 . 1 36 36 THR HG21 H 1 1.518 0.000 . . . . . . A 52 THR HG21 . 34963 1 282 . 1 . 1 36 36 THR HG22 H 1 1.518 0.000 . . . . . . A 52 THR HG22 . 34963 1 283 . 1 . 1 36 36 THR HG23 H 1 1.518 0.000 . . . . . . A 52 THR HG23 . 34963 1 284 . 1 . 1 36 36 THR N N 15 112.490 0.000 . . . . . . A 52 THR N . 34963 1 285 . 1 . 1 37 37 LYS H H 1 8.511 0.000 . . . . . . A 53 LYS H . 34963 1 286 . 1 . 1 37 37 LYS HA H 1 3.699 0.000 . . . . . . A 53 LYS HA . 34963 1 287 . 1 . 1 37 37 LYS HB2 H 1 1.954 0.000 . . . . . . A 53 LYS HB2 . 34963 1 288 . 1 . 1 37 37 LYS HB3 H 1 2.147 0.000 . . . . . . A 53 LYS HB3 . 34963 1 289 . 1 . 1 37 37 LYS HG2 H 1 1.294 0.000 . . . . . . A 53 LYS HG2 . 34963 1 290 . 1 . 1 37 37 LYS HG3 H 1 1.532 0.000 . . . . . . A 53 LYS HG3 . 34963 1 291 . 1 . 1 37 37 LYS HD2 H 1 1.715 0.000 . 2 . . . . A 53 LYS HD2 . 34963 1 292 . 1 . 1 37 37 LYS HD3 H 1 1.715 0.000 . 2 . . . . A 53 LYS HD3 . 34963 1 293 . 1 . 1 37 37 LYS HE2 H 1 3.054 0.000 . 2 . . . . A 53 LYS HE2 . 34963 1 294 . 1 . 1 37 37 LYS HE3 H 1 3.054 0.000 . 2 . . . . A 53 LYS HE3 . 34963 1 295 . 1 . 1 37 37 LYS N N 15 117.030 0.000 . . . . . . A 53 LYS N . 34963 1 296 . 1 . 1 38 38 ASP H H 1 7.752 0.000 . . . . . . A 54 ASP H . 34963 1 297 . 1 . 1 38 38 ASP HA H 1 4.913 0.000 . . . . . . A 54 ASP HA . 34963 1 298 . 1 . 1 38 38 ASP HB2 H 1 2.600 0.000 . . . . . . A 54 ASP HB2 . 34963 1 299 . 1 . 1 38 38 ASP HB3 H 1 3.170 0.000 . . . . . . A 54 ASP HB3 . 34963 1 300 . 1 . 1 38 38 ASP N N 15 116.350 0.000 . . . . . . A 54 ASP N . 34963 1 301 . 1 . 1 39 39 GLY H H 1 9.228 0.000 . . . . . . A 55 GLY H . 34963 1 302 . 1 . 1 39 39 GLY HA2 H 1 3.710 0.000 . . . . . . A 55 GLY HA2 . 34963 1 303 . 1 . 1 39 39 GLY HA3 H 1 4.072 0.000 . . . . . . A 55 GLY HA3 . 34963 1 304 . 1 . 1 39 39 GLY N N 15 109.760 0.000 . . . . . . A 55 GLY N . 34963 1 305 . 1 . 1 40 40 SER H H 1 8.152 0.000 . . . . . . A 56 SER H . 34963 1 306 . 1 . 1 40 40 SER HA H 1 3.948 0.000 . . . . . . A 56 SER HA . 34963 1 307 . 1 . 1 40 40 SER HB2 H 1 3.454 0.000 . . . . . . A 56 SER HB2 . 34963 1 308 . 1 . 1 40 40 SER HB3 H 1 4.159 0.000 . . . . . . A 56 SER HB3 . 34963 1 309 . 1 . 1 40 40 SER N N 15 119.570 0.000 . . . . . . A 56 SER N . 34963 1 310 . 1 . 1 41 41 TRP H H 1 8.530 0.000 . . . . . . A 57 TRP H . 34963 1 311 . 1 . 1 41 41 TRP HA H 1 5.265 0.000 . . . . . . A 57 TRP HA . 34963 1 312 . 1 . 1 41 41 TRP HB2 H 1 3.121 0.000 . . . . . . A 57 TRP HB2 . 34963 1 313 . 1 . 1 41 41 TRP HB3 H 1 3.288 0.000 . . . . . . A 57 TRP HB3 . 34963 1 314 . 1 . 1 41 41 TRP HD1 H 1 7.851 0.000 . . . . . . A 57 TRP HD1 . 34963 1 315 . 1 . 1 41 41 TRP HE1 H 1 10.440 0.000 . . . . . . A 57 TRP HE1 . 34963 1 316 . 1 . 1 41 41 TRP HE3 H 1 7.595 0.000 . . . . . . A 57 TRP HE3 . 34963 1 317 . 1 . 1 41 41 TRP HZ2 H 1 7.036 0.000 . . . . . . A 57 TRP HZ2 . 34963 1 318 . 1 . 1 41 41 TRP HZ3 H 1 6.720 0.000 . . . . . . A 57 TRP HZ3 . 34963 1 319 . 1 . 1 41 41 TRP HH2 H 1 7.114 0.000 . . . . . . A 57 TRP HH2 . 34963 1 320 . 1 . 1 41 41 TRP N N 15 124.020 0.000 . . . . . . A 57 TRP N . 34963 1 321 . 1 . 1 41 41 TRP NE1 N 15 129.120 0.000 . . . . . . A 57 TRP NE1 . 34963 1 322 . 1 . 1 42 42 HIS H H 1 9.327 0.000 . . . . . . A 58 HIS H . 34963 1 323 . 1 . 1 42 42 HIS HA H 1 5.062 0.000 . . . . . . A 58 HIS HA . 34963 1 324 . 1 . 1 42 42 HIS HB2 H 1 3.112 0.000 . . . . . . A 58 HIS HB2 . 34963 1 325 . 1 . 1 42 42 HIS HB3 H 1 3.488 0.000 . . . . . . A 58 HIS HB3 . 34963 1 326 . 1 . 1 42 42 HIS HD2 H 1 7.512 0.000 . . . . . . A 58 HIS HD2 . 34963 1 327 . 1 . 1 42 42 HIS HE1 H 1 8.722 0.000 . . . . . . A 58 HIS HE1 . 34963 1 328 . 1 . 1 42 42 HIS N N 15 118.890 0.000 . . . . . . A 58 HIS N . 34963 1 329 . 1 . 1 43 43 TYR H H 1 9.395 0.000 . . . . . . A 59 TYR H . 34963 1 330 . 1 . 1 43 43 TYR HA H 1 5.119 0.000 . . . . . . A 59 TYR HA . 34963 1 331 . 1 . 1 43 43 TYR HB2 H 1 2.713 0.000 . . . . . . A 59 TYR HB2 . 34963 1 332 . 1 . 1 43 43 TYR HB3 H 1 3.214 0.000 . . . . . . A 59 TYR HB3 . 34963 1 333 . 1 . 1 43 43 TYR HD1 H 1 6.733 0.000 . 3 . . . . A 59 TYR HD1 . 34963 1 334 . 1 . 1 43 43 TYR HD2 H 1 6.733 0.000 . 3 . . . . A 59 TYR HD2 . 34963 1 335 . 1 . 1 43 43 TYR N N 15 126.410 0.000 . . . . . . A 59 TYR N . 34963 1 336 . 1 . 1 44 44 VAL H H 1 8.932 0.000 . . . . . . A 60 VAL H . 34963 1 337 . 1 . 1 44 44 VAL HA H 1 4.189 0.000 . . . . . . A 60 VAL HA . 34963 1 338 . 1 . 1 44 44 VAL HB H 1 2.081 0.000 . . . . . . A 60 VAL HB . 34963 1 339 . 1 . 1 44 44 VAL HG11 H 1 1.036 0.000 . . . . . . A 60 VAL HG11 . 34963 1 340 . 1 . 1 44 44 VAL HG12 H 1 1.036 0.000 . . . . . . A 60 VAL HG12 . 34963 1 341 . 1 . 1 44 44 VAL HG13 H 1 1.036 0.000 . . . . . . A 60 VAL HG13 . 34963 1 342 . 1 . 1 44 44 VAL HG21 H 1 0.968 0.000 . . . . . . A 60 VAL HG21 . 34963 1 343 . 1 . 1 44 44 VAL HG22 H 1 0.968 0.000 . . . . . . A 60 VAL HG22 . 34963 1 344 . 1 . 1 44 44 VAL HG23 H 1 0.968 0.000 . . . . . . A 60 VAL HG23 . 34963 1 345 . 1 . 1 44 44 VAL N N 15 132.150 0.000 . . . . . . A 60 VAL N . 34963 1 346 . 1 . 1 45 45 GLU H H 1 8.858 0.000 . . . . . . A 61 GLU H . 34963 1 347 . 1 . 1 45 45 GLU HA H 1 4.006 0.000 . . . . . . A 61 GLU HA . 34963 1 348 . 1 . 1 45 45 GLU HB2 H 1 2.133 0.000 . . . . . . A 61 GLU HB2 . 34963 1 349 . 1 . 1 45 45 GLU HB3 H 1 2.194 0.000 . . . . . . A 61 GLU HB3 . 34963 1 350 . 1 . 1 45 45 GLU HG2 H 1 2.490 0.000 . . . . . . A 61 GLU HG2 . 34963 1 351 . 1 . 1 45 45 GLU HG3 H 1 2.533 0.000 . . . . . . A 61 GLU HG3 . 34963 1 352 . 1 . 1 45 45 GLU N N 15 129.530 0.000 . . . . . . A 61 GLU N . 34963 1 353 . 1 . 1 46 46 VAL H H 1 8.438 0.000 . . . . . . A 62 VAL H . 34963 1 354 . 1 . 1 46 46 VAL HA H 1 3.851 0.000 . . . . . . A 62 VAL HA . 34963 1 355 . 1 . 1 46 46 VAL HB H 1 2.144 0.000 . . . . . . A 62 VAL HB . 34963 1 356 . 1 . 1 46 46 VAL HG11 H 1 0.995 0.000 . . . . . . A 62 VAL HG11 . 34963 1 357 . 1 . 1 46 46 VAL HG12 H 1 0.995 0.000 . . . . . . A 62 VAL HG12 . 34963 1 358 . 1 . 1 46 46 VAL HG13 H 1 0.995 0.000 . . . . . . A 62 VAL HG13 . 34963 1 359 . 1 . 1 46 46 VAL HG21 H 1 0.931 0.000 . . . . . . A 62 VAL HG21 . 34963 1 360 . 1 . 1 46 46 VAL HG22 H 1 0.931 0.000 . . . . . . A 62 VAL HG22 . 34963 1 361 . 1 . 1 46 46 VAL HG23 H 1 0.931 0.000 . . . . . . A 62 VAL HG23 . 34963 1 362 . 1 . 1 46 46 VAL N N 15 115.620 0.000 . . . . . . A 62 VAL N . 34963 1 363 . 1 . 1 47 47 ASP H H 1 6.388 0.000 . . . . . . A 63 ASP H . 34963 1 364 . 1 . 1 47 47 ASP HA H 1 4.698 0.000 . . . . . . A 63 ASP HA . 34963 1 365 . 1 . 1 47 47 ASP HB2 H 1 2.036 0.000 . . . . . . A 63 ASP HB2 . 34963 1 366 . 1 . 1 47 47 ASP HB3 H 1 2.637 0.000 . . . . . . A 63 ASP HB3 . 34963 1 367 . 1 . 1 47 47 ASP N N 15 116.230 0.000 . . . . . . A 63 ASP N . 34963 1 368 . 1 . 1 48 48 ASN H H 1 7.937 0.000 . . . . . . A 64 ASN H . 34963 1 369 . 1 . 1 48 48 ASN HA H 1 3.845 0.000 . . . . . . A 64 ASN HA . 34963 1 370 . 1 . 1 48 48 ASN HB2 H 1 2.815 0.000 . . . . . . A 64 ASN HB2 . 34963 1 371 . 1 . 1 48 48 ASN HB3 H 1 2.853 0.000 . . . . . . A 64 ASN HB3 . 34963 1 372 . 1 . 1 48 48 ASN HD21 H 1 7.907 0.000 . . . . . . A 64 ASN HD21 . 34963 1 373 . 1 . 1 48 48 ASN HD22 H 1 7.079 0.000 . . . . . . A 64 ASN HD22 . 34963 1 374 . 1 . 1 48 48 ASN N N 15 117.620 0.000 . . . . . . A 64 ASN N . 34963 1 375 . 1 . 1 48 48 ASN ND2 N 15 117.730 0.000 . . . . . . A 64 ASN ND2 . 34963 1 376 . 1 . 1 49 49 GLU H H 1 6.587 0.000 . . . . . . A 65 GLU H . 34963 1 377 . 1 . 1 49 49 GLU HA H 1 4.903 0.000 . . . . . . A 65 GLU HA . 34963 1 378 . 1 . 1 49 49 GLU HB2 H 1 1.436 0.000 . . . . . . A 65 GLU HB2 . 34963 1 379 . 1 . 1 49 49 GLU HB3 H 1 1.561 0.000 . . . . . . A 65 GLU HB3 . 34963 1 380 . 1 . 1 49 49 GLU HG2 H 1 1.935 0.000 . . . . . . A 65 GLU HG2 . 34963 1 381 . 1 . 1 49 49 GLU HG3 H 1 2.294 0.000 . . . . . . A 65 GLU HG3 . 34963 1 382 . 1 . 1 49 49 GLU N N 15 113.520 0.000 . . . . . . A 65 GLU N . 34963 1 383 . 1 . 1 50 50 CYS H H 1 9.262 0.000 . . . . . . A 66 CYS H . 34963 1 384 . 1 . 1 50 50 CYS HA H 1 5.149 0.000 . . . . . . A 66 CYS HA . 34963 1 385 . 1 . 1 50 50 CYS HB2 H 1 3.017 0.000 . . . . . . A 66 CYS HB2 . 34963 1 386 . 1 . 1 50 50 CYS HB3 H 1 4.334 0.000 . . . . . . A 66 CYS HB3 . 34963 1 387 . 1 . 1 50 50 CYS N N 15 122.600 0.000 . . . . . . A 66 CYS N . 34963 1 388 . 1 . 1 51 51 LYS H H 1 8.873 0.000 . . . . . . A 67 LYS H . 34963 1 389 . 1 . 1 51 51 LYS HA H 1 4.705 0.000 . . . . . . A 67 LYS HA . 34963 1 390 . 1 . 1 51 51 LYS HB2 H 1 1.073 0.000 . . . . . . A 67 LYS HB2 . 34963 1 391 . 1 . 1 51 51 LYS HB3 H 1 1.423 0.000 . . . . . . A 67 LYS HB3 . 34963 1 392 . 1 . 1 51 51 LYS HG2 H 1 1.248 0.000 . . . . . . A 67 LYS HG2 . 34963 1 393 . 1 . 1 51 51 LYS HG3 H 1 1.309 0.000 . . . . . . A 67 LYS HG3 . 34963 1 394 . 1 . 1 51 51 LYS HD2 H 1 1.539 0.000 . 2 . . . . A 67 LYS HD2 . 34963 1 395 . 1 . 1 51 51 LYS HD3 H 1 1.539 0.000 . 2 . . . . A 67 LYS HD3 . 34963 1 396 . 1 . 1 51 51 LYS HE2 H 1 2.809 0.000 . . . . . . A 67 LYS HE2 . 34963 1 397 . 1 . 1 51 51 LYS HE3 H 1 2.897 0.000 . . . . . . A 67 LYS HE3 . 34963 1 398 . 1 . 1 51 51 LYS N N 15 128.260 0.000 . . . . . . A 67 LYS N . 34963 1 399 . 1 . 1 52 52 TYR H H 1 8.904 0.000 . . . . . . A 68 TYR H . 34963 1 400 . 1 . 1 52 52 TYR HA H 1 4.534 0.000 . . . . . . A 68 TYR HA . 34963 1 401 . 1 . 1 52 52 TYR HB2 H 1 1.130 0.000 . . . . . . A 68 TYR HB2 . 34963 1 402 . 1 . 1 52 52 TYR HB3 H 1 2.164 0.000 . . . . . . A 68 TYR HB3 . 34963 1 403 . 1 . 1 52 52 TYR HD1 H 1 5.652 0.000 . 3 . . . . A 68 TYR HD1 . 34963 1 404 . 1 . 1 52 52 TYR HD2 H 1 5.652 0.000 . 3 . . . . A 68 TYR HD2 . 34963 1 405 . 1 . 1 52 52 TYR HE1 H 1 6.615 0.000 . 3 . . . . A 68 TYR HE1 . 34963 1 406 . 1 . 1 52 52 TYR HE2 H 1 6.615 0.000 . 3 . . . . A 68 TYR HE2 . 34963 1 407 . 1 . 1 52 52 TYR N N 15 120.890 0.000 . . . . . . A 68 TYR N . 34963 1 408 . 1 . 1 53 53 LEU H H 1 8.957 0.000 . . . . . . A 69 LEU H . 34963 1 409 . 1 . 1 53 53 LEU HA H 1 3.785 0.000 . . . . . . A 69 LEU HA . 34963 1 410 . 1 . 1 53 53 LEU HB2 H 1 1.190 0.000 . . . . . . A 69 LEU HB2 . 34963 1 411 . 1 . 1 53 53 LEU HB3 H 1 1.822 0.000 . . . . . . A 69 LEU HB3 . 34963 1 412 . 1 . 1 53 53 LEU HG H 1 0.277 0.000 . . . . . . A 69 LEU HG . 34963 1 413 . 1 . 1 53 53 LEU HD11 H 1 0.777 0.000 . . . . . . A 69 LEU HD11 . 34963 1 414 . 1 . 1 53 53 LEU HD12 H 1 0.777 0.000 . . . . . . A 69 LEU HD12 . 34963 1 415 . 1 . 1 53 53 LEU HD13 H 1 0.777 0.000 . . . . . . A 69 LEU HD13 . 34963 1 416 . 1 . 1 53 53 LEU HD21 H 1 0.633 0.000 . . . . . . A 69 LEU HD21 . 34963 1 417 . 1 . 1 53 53 LEU HD22 H 1 0.633 0.000 . . . . . . A 69 LEU HD22 . 34963 1 418 . 1 . 1 53 53 LEU HD23 H 1 0.633 0.000 . . . . . . A 69 LEU HD23 . 34963 1 419 . 1 . 1 53 53 LEU N N 15 124.990 0.000 . . . . . . A 69 LEU N . 34963 1 420 . 1 . 1 54 54 ALA H H 1 8.152 0.000 . . . . . . A 70 ALA H . 34963 1 421 . 1 . 1 54 54 ALA HA H 1 4.647 0.000 . . . . . . A 70 ALA HA . 34963 1 422 . 1 . 1 54 54 ALA HB1 H 1 1.427 0.000 . . . . . . A 70 ALA HB1 . 34963 1 423 . 1 . 1 54 54 ALA HB2 H 1 1.427 0.000 . . . . . . A 70 ALA HB2 . 34963 1 424 . 1 . 1 54 54 ALA HB3 H 1 1.427 0.000 . . . . . . A 70 ALA HB3 . 34963 1 425 . 1 . 1 54 54 ALA N N 15 125.970 0.000 . . . . . . A 70 ALA N . 34963 1 426 . 1 . 1 55 55 GLY H H 1 8.297 0.000 . . . . . . A 71 GLY H . 34963 1 427 . 1 . 1 55 55 GLY HA2 H 1 4.563 0.000 . . . . . . A 71 GLY HA2 . 34963 1 428 . 1 . 1 55 55 GLY HA3 H 1 4.030 0.000 . . . . . . A 71 GLY HA3 . 34963 1 429 . 1 . 1 55 55 GLY N N 15 106.980 0.000 . . . . . . A 71 GLY N . 34963 1 430 . 1 . 1 56 56 ASP H H 1 7.809 0.000 . . . . . . A 72 ASP H . 34963 1 431 . 1 . 1 56 56 ASP HA H 1 4.715 0.000 . . . . . . A 72 ASP HA . 34963 1 432 . 1 . 1 56 56 ASP HB2 H 1 2.492 0.000 . . . . . . A 72 ASP HB2 . 34963 1 433 . 1 . 1 56 56 ASP HB3 H 1 2.726 0.000 . . . . . . A 72 ASP HB3 . 34963 1 434 . 1 . 1 56 56 ASP N N 15 120.790 0.000 . . . . . . A 72 ASP N . 34963 1 435 . 1 . 1 57 57 ASN H H 1 8.606 0.000 . . . . . . A 73 ASN H . 34963 1 436 . 1 . 1 57 57 ASN HA H 1 3.566 0.000 . . . . . . A 73 ASN HA . 34963 1 437 . 1 . 1 57 57 ASN HB2 H 1 1.756 0.000 . . . . . . A 73 ASN HB2 . 34963 1 438 . 1 . 1 57 57 ASN HB3 H 1 2.622 0.000 . . . . . . A 73 ASN HB3 . 34963 1 439 . 1 . 1 57 57 ASN HD21 H 1 7.014 0.000 . . . . . . A 73 ASN HD21 . 34963 1 440 . 1 . 1 57 57 ASN HD22 H 1 6.393 0.000 . . . . . . A 73 ASN HD22 . 34963 1 441 . 1 . 1 57 57 ASN N N 15 118.700 0.000 . . . . . . A 73 ASN N . 34963 1 442 . 1 . 1 57 57 ASN ND2 N 15 110.710 0.000 . . . . . . A 73 ASN ND2 . 34963 1 443 . 1 . 1 58 58 PRO HA H 1 3.750 0.000 . . . . . . A 74 PRO HA . 34963 1 444 . 1 . 1 58 58 PRO HB2 H 1 1.898 0.000 . . . . . . A 74 PRO HB2 . 34963 1 445 . 1 . 1 58 58 PRO HB3 H 1 2.254 0.000 . . . . . . A 74 PRO HB3 . 34963 1 446 . 1 . 1 58 58 PRO HG2 H 1 1.525 0.000 . . . . . . A 74 PRO HG2 . 34963 1 447 . 1 . 1 58 58 PRO HG3 H 1 1.773 0.000 . . . . . . A 74 PRO HG3 . 34963 1 448 . 1 . 1 58 58 PRO HD2 H 1 3.441 0.000 . . . . . . A 74 PRO HD2 . 34963 1 449 . 1 . 1 58 58 PRO HD3 H 1 4.159 0.000 . . . . . . A 74 PRO HD3 . 34963 1 450 . 1 . 1 59 59 ARG H H 1 6.691 0.000 . . . . . . A 75 ARG H . 34963 1 451 . 1 . 1 59 59 ARG HA H 1 2.926 0.000 . . . . . . A 75 ARG HA . 34963 1 452 . 1 . 1 59 59 ARG HB2 H 1 0.947 0.000 . . . . . . A 75 ARG HB2 . 34963 1 453 . 1 . 1 59 59 ARG HB3 H 1 1.231 0.000 . . . . . . A 75 ARG HB3 . 34963 1 454 . 1 . 1 59 59 ARG HG2 H 1 -0.004 0.000 . . . . . . A 75 ARG HG2 . 34963 1 455 . 1 . 1 59 59 ARG HG3 H 1 0.509 0.000 . . . . . . A 75 ARG HG3 . 34963 1 456 . 1 . 1 59 59 ARG HD2 H 1 2.839 0.000 . . . . . . A 75 ARG HD2 . 34963 1 457 . 1 . 1 59 59 ARG HD3 H 1 2.872 0.000 . . . . . . A 75 ARG HD3 . 34963 1 458 . 1 . 1 59 59 ARG HE H 1 6.944 0.000 . . . . . . A 75 ARG HE . 34963 1 459 . 1 . 1 59 59 ARG N N 15 112.030 0.000 . . . . . . A 75 ARG N . 34963 1 460 . 1 . 1 59 59 ARG NE N 15 85.290 0.000 . . . . . . A 75 ARG NE . 34963 1 461 . 1 . 1 60 60 ASP H H 1 6.605 0.000 . . . . . . A 76 ASP H . 34963 1 462 . 1 . 1 60 60 ASP HA H 1 4.582 0.000 . . . . . . A 76 ASP HA . 34963 1 463 . 1 . 1 60 60 ASP HB2 H 1 2.349 0.000 . . . . . . A 76 ASP HB2 . 34963 1 464 . 1 . 1 60 60 ASP HB3 H 1 2.808 0.000 . . . . . . A 76 ASP HB3 . 34963 1 465 . 1 . 1 60 60 ASP N N 15 115.570 0.000 . . . . . . A 76 ASP N . 34963 1 466 . 1 . 1 61 61 GLN H H 1 7.390 0.000 . . . . . . A 77 GLN H . 34963 1 467 . 1 . 1 61 61 GLN HA H 1 4.745 0.000 . . . . . . A 77 GLN HA . 34963 1 468 . 1 . 1 61 61 GLN HB2 H 1 1.911 0.000 . . . . . . A 77 GLN HB2 . 34963 1 469 . 1 . 1 61 61 GLN HB3 H 1 2.130 0.000 . . . . . . A 77 GLN HB3 . 34963 1 470 . 1 . 1 61 61 GLN HG2 H 1 0.737 0.000 . . . . . . A 77 GLN HG2 . 34963 1 471 . 1 . 1 61 61 GLN HG3 H 1 1.948 0.000 . . . . . . A 77 GLN HG3 . 34963 1 472 . 1 . 1 61 61 GLN HE21 H 1 7.201 0.000 . . . . . . A 77 GLN HE21 . 34963 1 473 . 1 . 1 61 61 GLN HE22 H 1 6.789 0.000 . . . . . . A 77 GLN HE22 . 34963 1 474 . 1 . 1 61 61 GLN N N 15 117.280 0.000 . . . . . . A 77 GLN N . 34963 1 475 . 1 . 1 61 61 GLN NE2 N 15 113.520 0.000 . . . . . . A 77 GLN NE2 . 34963 1 476 . 1 . 1 62 62 PRO HA H 1 4.545 0.000 . . . . . . A 78 PRO HA . 34963 1 477 . 1 . 1 62 62 PRO HB2 H 1 2.175 0.000 . . . . . . A 78 PRO HB2 . 34963 1 478 . 1 . 1 62 62 PRO HB3 H 1 2.543 0.000 . . . . . . A 78 PRO HB3 . 34963 1 479 . 1 . 1 62 62 PRO HG2 H 1 2.196 0.000 . . . . . . A 78 PRO HG2 . 34963 1 480 . 1 . 1 62 62 PRO HG3 H 1 2.369 0.000 . . . . . . A 78 PRO HG3 . 34963 1 481 . 1 . 1 62 62 PRO HD2 H 1 3.938 0.000 . . . . . . A 78 PRO HD2 . 34963 1 482 . 1 . 1 62 62 PRO HD3 H 1 4.047 0.000 . . . . . . A 78 PRO HD3 . 34963 1 483 . 1 . 1 63 63 GLY H H 1 8.587 0.000 . . . . . . A 79 GLY H . 34963 1 484 . 1 . 1 63 63 GLY HA2 H 1 3.948 0.000 . . . . . . A 79 GLY HA2 . 34963 1 485 . 1 . 1 63 63 GLY HA3 H 1 4.010 0.000 . . . . . . A 79 GLY HA3 . 34963 1 486 . 1 . 1 63 63 GLY N N 15 103.410 0.000 . . . . . . A 79 GLY N . 34963 1 487 . 1 . 1 64 64 TRP H H 1 8.477 0.000 . . . . . . A 80 TRP H . 34963 1 488 . 1 . 1 64 64 TRP HA H 1 4.604 0.000 . . . . . . A 80 TRP HA . 34963 1 489 . 1 . 1 64 64 TRP HB2 H 1 4.282 0.000 . . . . . . A 80 TRP HB2 . 34963 1 490 . 1 . 1 64 64 TRP HB3 H 1 3.253 0.000 . . . . . . A 80 TRP HB3 . 34963 1 491 . 1 . 1 64 64 TRP HD1 H 1 7.236 0.000 . . . . . . A 80 TRP HD1 . 34963 1 492 . 1 . 1 64 64 TRP HE1 H 1 10.000 0.000 . . . . . . A 80 TRP HE1 . 34963 1 493 . 1 . 1 64 64 TRP HE3 H 1 7.286 0.000 . . . . . . A 80 TRP HE3 . 34963 1 494 . 1 . 1 64 64 TRP HZ2 H 1 7.268 0.000 . . . . . . A 80 TRP HZ2 . 34963 1 495 . 1 . 1 64 64 TRP HZ3 H 1 6.831 0.000 . . . . . . A 80 TRP HZ3 . 34963 1 496 . 1 . 1 64 64 TRP HH2 H 1 6.347 0.000 . . . . . . A 80 TRP HH2 . 34963 1 497 . 1 . 1 64 64 TRP N N 15 124.600 0.000 . . . . . . A 80 TRP N . 34963 1 498 . 1 . 1 64 64 TRP NE1 N 15 129.060 0.000 . . . . . . A 80 TRP NE1 . 34963 1 499 . 1 . 1 65 65 ALA H H 1 7.668 0.000 . . . . . . A 81 ALA H . 34963 1 500 . 1 . 1 65 65 ALA HA H 1 3.816 0.000 . . . . . . A 81 ALA HA . 34963 1 501 . 1 . 1 65 65 ALA HB1 H 1 1.485 0.000 . . . . . . A 81 ALA HB1 . 34963 1 502 . 1 . 1 65 65 ALA HB2 H 1 1.485 0.000 . . . . . . A 81 ALA HB2 . 34963 1 503 . 1 . 1 65 65 ALA HB3 H 1 1.485 0.000 . . . . . . A 81 ALA HB3 . 34963 1 504 . 1 . 1 65 65 ALA N N 15 115.810 0.000 . . . . . . A 81 ALA N . 34963 1 505 . 1 . 1 66 66 VAL H H 1 7.081 0.000 . . . . . . A 82 VAL H . 34963 1 506 . 1 . 1 66 66 VAL HA H 1 3.422 0.000 . . . . . . A 82 VAL HA . 34963 1 507 . 1 . 1 66 66 VAL HB H 1 2.265 0.000 . . . . . . A 82 VAL HB . 34963 1 508 . 1 . 1 66 66 VAL HG11 H 1 1.110 0.000 . . . . . . A 82 VAL HG11 . 34963 1 509 . 1 . 1 66 66 VAL HG12 H 1 1.110 0.000 . . . . . . A 82 VAL HG12 . 34963 1 510 . 1 . 1 66 66 VAL HG13 H 1 1.110 0.000 . . . . . . A 82 VAL HG13 . 34963 1 511 . 1 . 1 66 66 VAL HG21 H 1 0.997 0.000 . . . . . . A 82 VAL HG21 . 34963 1 512 . 1 . 1 66 66 VAL HG22 H 1 0.997 0.000 . . . . . . A 82 VAL HG22 . 34963 1 513 . 1 . 1 66 66 VAL HG23 H 1 0.997 0.000 . . . . . . A 82 VAL HG23 . 34963 1 514 . 1 . 1 66 66 VAL N N 15 119.870 0.000 . . . . . . A 82 VAL N . 34963 1 515 . 1 . 1 67 67 PHE H H 1 7.676 0.000 . . . . . . A 83 PHE H . 34963 1 516 . 1 . 1 67 67 PHE HA H 1 3.589 0.000 . . . . . . A 83 PHE HA . 34963 1 517 . 1 . 1 67 67 PHE HB2 H 1 2.788 0.000 . . . . . . A 83 PHE HB2 . 34963 1 518 . 1 . 1 67 67 PHE HB3 H 1 2.451 0.000 . . . . . . A 83 PHE HB3 . 34963 1 519 . 1 . 1 67 67 PHE HD1 H 1 7.268 0.000 . 3 . . . . A 83 PHE HD1 . 34963 1 520 . 1 . 1 67 67 PHE HD2 H 1 7.268 0.000 . 3 . . . . A 83 PHE HD2 . 34963 1 521 . 1 . 1 67 67 PHE HE1 H 1 6.861 0.000 . 3 . . . . A 83 PHE HE1 . 34963 1 522 . 1 . 1 67 67 PHE HE2 H 1 6.861 0.000 . 3 . . . . A 83 PHE HE2 . 34963 1 523 . 1 . 1 67 67 PHE HZ H 1 6.832 0.000 . . . . . . A 83 PHE HZ . 34963 1 524 . 1 . 1 67 67 PHE N N 15 123.870 0.000 . . . . . . A 83 PHE N . 34963 1 525 . 1 . 1 68 68 VAL H H 1 8.477 0.000 . . . . . . A 84 VAL H . 34963 1 526 . 1 . 1 68 68 VAL HA H 1 2.862 0.000 . . . . . . A 84 VAL HA . 34963 1 527 . 1 . 1 68 68 VAL HB H 1 1.654 0.000 . . . . . . A 84 VAL HB . 34963 1 528 . 1 . 1 68 68 VAL HG11 H 1 0.730 0.000 . . . . . . A 84 VAL HG11 . 34963 1 529 . 1 . 1 68 68 VAL HG12 H 1 0.730 0.000 . . . . . . A 84 VAL HG12 . 34963 1 530 . 1 . 1 68 68 VAL HG13 H 1 0.730 0.000 . . . . . . A 84 VAL HG13 . 34963 1 531 . 1 . 1 68 68 VAL HG21 H 1 0.006 0.000 . . . . . . A 84 VAL HG21 . 34963 1 532 . 1 . 1 68 68 VAL HG22 H 1 0.006 0.000 . . . . . . A 84 VAL HG22 . 34963 1 533 . 1 . 1 68 68 VAL HG23 H 1 0.006 0.000 . . . . . . A 84 VAL HG23 . 34963 1 534 . 1 . 1 68 68 VAL N N 15 118.110 0.000 . . . . . . A 84 VAL N . 34963 1 535 . 1 . 1 69 69 LYS H H 1 7.535 0.000 . . . . . . A 85 LYS H . 34963 1 536 . 1 . 1 69 69 LYS HA H 1 3.685 0.000 . . . . . . A 85 LYS HA . 34963 1 537 . 1 . 1 69 69 LYS HB2 H 1 1.641 0.000 . . . . . . A 85 LYS HB2 . 34963 1 538 . 1 . 1 69 69 LYS HB3 H 1 1.684 0.000 . . . . . . A 85 LYS HB3 . 34963 1 539 . 1 . 1 69 69 LYS HG2 H 1 1.069 0.000 . . . . . . A 85 LYS HG2 . 34963 1 540 . 1 . 1 69 69 LYS HG3 H 1 0.298 0.000 . . . . . . A 85 LYS HG3 . 34963 1 541 . 1 . 1 69 69 LYS HD2 H 1 1.050 0.000 . . . . . . A 85 LYS HD2 . 34963 1 542 . 1 . 1 69 69 LYS HD3 H 1 1.294 0.000 . . . . . . A 85 LYS HD3 . 34963 1 543 . 1 . 1 69 69 LYS HE2 H 1 2.370 0.000 . . . . . . A 85 LYS HE2 . 34963 1 544 . 1 . 1 69 69 LYS HE3 H 1 2.460 0.000 . . . . . . A 85 LYS HE3 . 34963 1 545 . 1 . 1 69 69 LYS N N 15 122.500 0.000 . . . . . . A 85 LYS N . 34963 1 546 . 1 . 1 70 70 TYR H H 1 8.069 0.000 . . . . . . A 86 TYR H . 34963 1 547 . 1 . 1 70 70 TYR HA H 1 4.220 0.000 . . . . . . A 86 TYR HA . 34963 1 548 . 1 . 1 70 70 TYR HB2 H 1 2.572 0.000 . . . . . . A 86 TYR HB2 . 34963 1 549 . 1 . 1 70 70 TYR HB3 H 1 2.865 0.000 . . . . . . A 86 TYR HB3 . 34963 1 550 . 1 . 1 70 70 TYR HD1 H 1 6.849 0.000 . 3 . . . . A 86 TYR HD1 . 34963 1 551 . 1 . 1 70 70 TYR HD2 H 1 6.849 0.000 . 3 . . . . A 86 TYR HD2 . 34963 1 552 . 1 . 1 70 70 TYR HE1 H 1 6.309 0.000 . 3 . . . . A 86 TYR HE1 . 34963 1 553 . 1 . 1 70 70 TYR HE2 H 1 6.309 0.000 . 3 . . . . A 86 TYR HE2 . 34963 1 554 . 1 . 1 70 70 TYR N N 15 116.590 0.000 . . . . . . A 86 TYR N . 34963 1 555 . 1 . 1 71 71 CYS H H 1 8.921 0.000 . . . . . . A 87 CYS H . 34963 1 556 . 1 . 1 71 71 CYS HA H 1 4.436 0.000 . . . . . . A 87 CYS HA . 34963 1 557 . 1 . 1 71 71 CYS HB2 H 1 2.358 0.000 . . . . . . A 87 CYS HB2 . 34963 1 558 . 1 . 1 71 71 CYS HB3 H 1 2.668 0.000 . . . . . . A 87 CYS HB3 . 34963 1 559 . 1 . 1 71 71 CYS N N 15 117.950 0.000 . . . . . . A 87 CYS N . 34963 1 560 . 1 . 1 72 72 THR H H 1 8.267 0.000 . . . . . . A 88 THR H . 34963 1 561 . 1 . 1 72 72 THR HA H 1 4.265 0.000 . . . . . . A 88 THR HA . 34963 1 562 . 1 . 1 72 72 THR HB H 1 4.226 0.000 . . . . . . A 88 THR HB . 34963 1 563 . 1 . 1 72 72 THR HG21 H 1 1.318 0.000 . . . . . . A 88 THR HG21 . 34963 1 564 . 1 . 1 72 72 THR HG22 H 1 1.318 0.000 . . . . . . A 88 THR HG22 . 34963 1 565 . 1 . 1 72 72 THR HG23 H 1 1.318 0.000 . . . . . . A 88 THR HG23 . 34963 1 566 . 1 . 1 72 72 THR N N 15 111.570 0.000 . . . . . . A 88 THR N . 34963 1 567 . 1 . 1 73 73 TYR H H 1 8.080 0.000 . . . . . . A 89 TYR H . 34963 1 568 . 1 . 1 73 73 TYR HA H 1 4.173 0.000 . . . . . . A 89 TYR HA . 34963 1 569 . 1 . 1 73 73 TYR HB2 H 1 3.132 0.000 . . . . . . A 89 TYR HB2 . 34963 1 570 . 1 . 1 73 73 TYR HB3 H 1 3.179 0.000 . . . . . . A 89 TYR HB3 . 34963 1 571 . 1 . 1 73 73 TYR HD1 H 1 6.520 0.000 . 3 . . . . A 89 TYR HD1 . 34963 1 572 . 1 . 1 73 73 TYR HD2 H 1 6.520 0.000 . 3 . . . . A 89 TYR HD2 . 34963 1 573 . 1 . 1 73 73 TYR HE1 H 1 6.560 0.000 . 3 . . . . A 89 TYR HE1 . 34963 1 574 . 1 . 1 73 73 TYR HE2 H 1 6.560 0.000 . 3 . . . . A 89 TYR HE2 . 34963 1 575 . 1 . 1 73 73 TYR N N 15 127.970 0.000 . . . . . . A 89 TYR N . 34963 1 576 . 1 . 1 74 74 TYR H H 1 7.314 0.000 . . . . . . A 90 TYR H . 34963 1 577 . 1 . 1 74 74 TYR HA H 1 4.346 0.000 . . . . . . A 90 TYR HA . 34963 1 578 . 1 . 1 74 74 TYR HB2 H 1 2.850 0.000 . . . . . . A 90 TYR HB2 . 34963 1 579 . 1 . 1 74 74 TYR HB3 H 1 3.659 0.000 . . . . . . A 90 TYR HB3 . 34963 1 580 . 1 . 1 74 74 TYR HD1 H 1 7.310 0.000 . 3 . . . . A 90 TYR HD1 . 34963 1 581 . 1 . 1 74 74 TYR HD2 H 1 7.310 0.000 . 3 . . . . A 90 TYR HD2 . 34963 1 582 . 1 . 1 74 74 TYR HE1 H 1 6.742 0.000 . 3 . . . . A 90 TYR HE1 . 34963 1 583 . 1 . 1 74 74 TYR HE2 H 1 6.742 0.000 . 3 . . . . A 90 TYR HE2 . 34963 1 584 . 1 . 1 74 74 TYR N N 15 117.030 0.000 . . . . . . A 90 TYR N . 34963 1 585 . 1 . 1 75 75 LYS H H 1 7.969 0.000 . . . . . . A 91 LYS H . 34963 1 586 . 1 . 1 75 75 LYS HA H 1 3.971 0.000 . . . . . . A 91 LYS HA . 34963 1 587 . 1 . 1 75 75 LYS HB2 H 1 2.130 0.000 . . . . . . A 91 LYS HB2 . 34963 1 588 . 1 . 1 75 75 LYS HB3 H 1 2.517 0.000 . . . . . . A 91 LYS HB3 . 34963 1 589 . 1 . 1 75 75 LYS HG2 H 1 1.318 0.000 . . . . . . A 91 LYS HG2 . 34963 1 590 . 1 . 1 75 75 LYS HG3 H 1 1.401 0.000 . . . . . . A 91 LYS HG3 . 34963 1 591 . 1 . 1 75 75 LYS HD2 H 1 1.708 0.000 . 2 . . . . A 91 LYS HD2 . 34963 1 592 . 1 . 1 75 75 LYS HD3 H 1 1.708 0.000 . 2 . . . . A 91 LYS HD3 . 34963 1 593 . 1 . 1 75 75 LYS HE2 H 1 3.005 0.000 . 2 . . . . A 91 LYS HE2 . 34963 1 594 . 1 . 1 75 75 LYS HE3 H 1 3.005 0.000 . 2 . . . . A 91 LYS HE3 . 34963 1 595 . 1 . 1 75 75 LYS N N 15 111.180 0.000 . . . . . . A 91 LYS N . 34963 1 596 . 1 . 1 76 76 GLY H H 1 8.141 0.000 . . . . . . A 92 GLY H . 34963 1 597 . 1 . 1 76 76 GLY HA2 H 1 3.072 0.000 . . . . . . A 92 GLY HA2 . 34963 1 598 . 1 . 1 76 76 GLY HA3 H 1 2.732 0.000 . . . . . . A 92 GLY HA3 . 34963 1 599 . 1 . 1 76 76 GLY N N 15 107.810 0.000 . . . . . . A 92 GLY N . 34963 1 600 . 1 . 1 77 77 VAL H H 1 8.639 0.000 . . . . . . A 93 VAL H . 34963 1 601 . 1 . 1 77 77 VAL HA H 1 4.480 0.000 . . . . . . A 93 VAL HA . 34963 1 602 . 1 . 1 77 77 VAL HB H 1 1.746 0.000 . . . . . . A 93 VAL HB . 34963 1 603 . 1 . 1 77 77 VAL HG11 H 1 0.917 0.000 . . . . . . A 93 VAL HG11 . 34963 1 604 . 1 . 1 77 77 VAL HG12 H 1 0.917 0.000 . . . . . . A 93 VAL HG12 . 34963 1 605 . 1 . 1 77 77 VAL HG13 H 1 0.917 0.000 . . . . . . A 93 VAL HG13 . 34963 1 606 . 1 . 1 77 77 VAL HG21 H 1 0.875 0.000 . . . . . . A 93 VAL HG21 . 34963 1 607 . 1 . 1 77 77 VAL HG22 H 1 0.875 0.000 . . . . . . A 93 VAL HG22 . 34963 1 608 . 1 . 1 77 77 VAL HG23 H 1 0.875 0.000 . . . . . . A 93 VAL HG23 . 34963 1 609 . 1 . 1 77 77 VAL N N 15 118.840 0.000 . . . . . . A 93 VAL N . 34963 1 610 . 1 . 1 78 78 PRO HA H 1 5.762 0.000 . . . . . . A 94 PRO HA . 34963 1 611 . 1 . 1 78 78 PRO HB2 H 1 1.833 0.000 . . . . . . A 94 PRO HB2 . 34963 1 612 . 1 . 1 78 78 PRO HB3 H 1 2.151 0.000 . . . . . . A 94 PRO HB3 . 34963 1 613 . 1 . 1 78 78 PRO HG2 H 1 1.902 0.000 . . . . . . A 94 PRO HG2 . 34963 1 614 . 1 . 1 78 78 PRO HG3 H 1 2.438 0.000 . . . . . . A 94 PRO HG3 . 34963 1 615 . 1 . 1 78 78 PRO HD2 H 1 3.614 0.000 . . . . . . A 94 PRO HD2 . 34963 1 616 . 1 . 1 78 78 PRO HD3 H 1 4.029 0.000 . . . . . . A 94 PRO HD3 . 34963 1 617 . 1 . 1 79 79 ASP H H 1 9.521 0.000 . . . . . . A 95 ASP H . 34963 1 618 . 1 . 1 79 79 ASP HA H 1 5.141 0.000 . . . . . . A 95 ASP HA . 34963 1 619 . 1 . 1 79 79 ASP HB2 H 1 2.501 0.000 . . . . . . A 95 ASP HB2 . 34963 1 620 . 1 . 1 79 79 ASP HB3 H 1 2.674 0.000 . . . . . . A 95 ASP HB3 . 34963 1 621 . 1 . 1 79 79 ASP N N 15 122.210 0.000 . . . . . . A 95 ASP N . 34963 1 622 . 1 . 1 80 80 ALA H H 1 8.145 0.000 . . . . . . A 96 ALA H . 34963 1 623 . 1 . 1 80 80 ALA HA H 1 4.784 0.000 . . . . . . A 96 ALA HA . 34963 1 624 . 1 . 1 80 80 ALA HB1 H 1 1.131 0.000 . . . . . . A 96 ALA HB1 . 34963 1 625 . 1 . 1 80 80 ALA HB2 H 1 1.131 0.000 . . . . . . A 96 ALA HB2 . 34963 1 626 . 1 . 1 80 80 ALA HB3 H 1 1.131 0.000 . . . . . . A 96 ALA HB3 . 34963 1 627 . 1 . 1 80 80 ALA N N 15 128.460 0.000 . . . . . . A 96 ALA N . 34963 1 stop_ save_