################################### # 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 34064 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 CBCA(CO)NH' . . . 34064 1 2 '3D HNCA' . . . 34064 1 3 '3D HNCACB' . . . 34064 1 4 '3D HN(CO)CA' . . . 34064 1 5 '3D HCCH-TOCSY' . . . 34064 1 6 '2D 1H-1H TOCSY' . . . 34064 1 7 '2D 1H-1H COSY' . . . 34064 1 8 '2D 1H-1H NOESY' . . . 34064 1 9 '2D 1H-1H TOCSY' . . . 34064 1 10 '2D 1H-1H COSY' . . . 34064 1 11 '2D 1H-15N HSQC' . . . 34064 1 12 '2D 1H-1H NOESY' . . . 34064 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 ALA H H 1 8.176 0.005 . 1 . . . . A 25 ALA H . 34064 1 2 . 1 1 1 1 ALA HA H 1 4.383 0.002 . 1 . . . . A 25 ALA HA . 34064 1 3 . 1 1 1 1 ALA HB1 H 1 1.414 0.002 . 1 . . . . A 25 ALA HB1 . 34064 1 4 . 1 1 1 1 ALA HB2 H 1 1.414 0.002 . 1 . . . . A 25 ALA HB2 . 34064 1 5 . 1 1 1 1 ALA HB3 H 1 1.414 0.002 . 1 . . . . A 25 ALA HB3 . 34064 1 6 . 1 1 1 1 ALA N N 15 124.159 0.000 . 1 . . . . A 25 ALA N . 34064 1 7 . 1 1 2 2 GLY H H 1 8.620 0.003 . 1 . . . . A 26 GLY H . 34064 1 8 . 1 1 2 2 GLY HA2 H 1 4.299 0.005 . 1 . . . . A 26 GLY HA2 . 34064 1 9 . 1 1 2 2 GLY HA3 H 1 4.045 0.001 . 1 . . . . A 26 GLY HA3 . 34064 1 10 . 1 1 2 2 GLY N N 15 107.766 0.000 . 1 . . . . A 26 GLY N . 34064 1 11 . 1 1 3 3 GLY H H 1 9.014 0.003 . 1 . . . . A 27 GLY H . 34064 1 12 . 1 1 3 3 GLY HA2 H 1 3.973 0.005 . 1 . . . . A 27 GLY HA2 . 34064 1 13 . 1 1 3 3 GLY HA3 H 1 3.618 0.002 . 1 . . . . A 27 GLY HA3 . 34064 1 14 . 1 1 3 3 GLY N N 15 107.177 0.000 . 1 . . . . A 27 GLY N . 34064 1 15 . 1 1 4 4 GLY H H 1 8.722 0.003 . 1 . . . . A 28 GLY H . 34064 1 16 . 1 1 4 4 GLY HA2 H 1 3.378 0.002 . 2 . . . . A 28 GLY HA2 . 34064 1 17 . 1 1 4 4 GLY HA3 H 1 2.213 0.006 . 2 . . . . A 28 GLY HA3 . 34064 1 18 . 1 1 4 4 GLY N N 15 108.878 0.000 . 1 . . . . A 28 GLY N . 34064 1 19 . 1 1 5 5 GLU H H 1 7.891 0.004 . 1 . . . . A 29 GLU H . 34064 1 20 . 1 1 5 5 GLU HA H 1 4.140 0.005 . 1 . . . . A 29 GLU HA . 34064 1 21 . 1 1 5 5 GLU HB2 H 1 2.202 0.004 . 1 . . . . A 29 GLU HB2 . 34064 1 22 . 1 1 5 5 GLU HB3 H 1 2.079 0.003 . 1 . . . . A 29 GLU HB3 . 34064 1 23 . 1 1 5 5 GLU HG2 H 1 2.327 0.004 . 2 . . . . A 29 GLU HG2 . 34064 1 24 . 1 1 5 5 GLU HG3 H 1 2.311 0.000 . 2 . . . . A 29 GLU HG3 . 34064 1 25 . 1 1 5 5 GLU N N 15 124.886 0.000 . 1 . . . . A 29 GLU N . 34064 1 26 . 1 1 6 6 LEU H H 1 8.248 0.003 . 1 . . . . A 30 LEU H . 34064 1 27 . 1 1 6 6 LEU HA H 1 4.203 0.004 . 1 . . . . A 30 LEU HA . 34064 1 28 . 1 1 6 6 LEU HB2 H 1 2.192 0.002 . 2 . . . . A 30 LEU HB2 . 34064 1 29 . 1 1 6 6 LEU HB3 H 1 1.487 0.004 . 2 . . . . A 30 LEU HB3 . 34064 1 30 . 1 1 6 6 LEU HG H 1 1.815 0.004 . 1 . . . . A 30 LEU HG . 34064 1 31 . 1 1 6 6 LEU HD11 H 1 0.985 0.003 . 1 . . . . A 30 LEU HD11 . 34064 1 32 . 1 1 6 6 LEU HD12 H 1 0.985 0.003 . 1 . . . . A 30 LEU HD12 . 34064 1 33 . 1 1 6 6 LEU HD13 H 1 0.985 0.003 . 1 . . . . A 30 LEU HD13 . 34064 1 34 . 1 1 6 6 LEU HD21 H 1 1.135 0.004 . 1 . . . . A 30 LEU HD21 . 34064 1 35 . 1 1 6 6 LEU HD22 H 1 1.135 0.004 . 1 . . . . A 30 LEU HD22 . 34064 1 36 . 1 1 6 6 LEU HD23 H 1 1.135 0.004 . 1 . . . . A 30 LEU HD23 . 34064 1 37 . 1 1 6 6 LEU N N 15 121.432 0.000 . 1 . . . . A 30 LEU N . 34064 1 38 . 1 1 7 7 PHE H H 1 8.736 0.003 . 1 . . . . A 31 PHE H . 34064 1 39 . 1 1 7 7 PHE HA H 1 4.259 0.002 . 1 . . . . A 31 PHE HA . 34064 1 40 . 1 1 7 7 PHE HB2 H 1 2.960 0.003 . 2 . . . . A 31 PHE HB2 . 34064 1 41 . 1 1 7 7 PHE HB3 H 1 2.942 0.003 . 2 . . . . A 31 PHE HB3 . 34064 1 42 . 1 1 7 7 PHE HD1 H 1 7.343 0.004 . 1 . . . . A 31 PHE HD1 . 34064 1 43 . 1 1 7 7 PHE HE1 H 1 6.678 0.003 . 1 . . . . A 31 PHE HE1 . 34064 1 44 . 1 1 7 7 PHE HZ H 1 6.830 0.003 . 1 . . . . A 31 PHE HZ . 34064 1 45 . 1 1 7 7 PHE N N 15 120.503 0.000 . 1 . . . . A 31 PHE N . 34064 1 46 . 1 1 8 8 ALA H H 1 8.317 0.002 . 1 . . . . A 32 ALA H . 34064 1 47 . 1 1 8 8 ALA HA H 1 4.129 0.004 . 1 . . . . A 32 ALA HA . 34064 1 48 . 1 1 8 8 ALA HB1 H 1 1.586 0.001 . 1 . . . . A 32 ALA HB1 . 34064 1 49 . 1 1 8 8 ALA HB2 H 1 1.586 0.001 . 1 . . . . A 32 ALA HB2 . 34064 1 50 . 1 1 8 8 ALA HB3 H 1 1.586 0.001 . 1 . . . . A 32 ALA HB3 . 34064 1 51 . 1 1 8 8 ALA N N 15 123.149 0.000 . 1 . . . . A 32 ALA N . 34064 1 52 . 1 1 9 9 THR H H 1 7.936 0.003 . 1 . . . . A 33 THR H . 34064 1 53 . 1 1 9 9 THR HA H 1 3.927 0.002 . 1 . . . . A 33 THR HA . 34064 1 54 . 1 1 9 9 THR HB H 1 3.986 0.003 . 1 . . . . A 33 THR HB . 34064 1 55 . 1 1 9 9 THR HG21 H 1 0.662 0.003 . 1 . . . . A 33 THR HG21 . 34064 1 56 . 1 1 9 9 THR HG22 H 1 0.662 0.003 . 1 . . . . A 33 THR HG22 . 34064 1 57 . 1 1 9 9 THR HG23 H 1 0.662 0.003 . 1 . . . . A 33 THR HG23 . 34064 1 58 . 1 1 9 9 THR N N 15 113.888 0.000 . 1 . . . . A 33 THR N . 34064 1 59 . 1 1 10 10 HIS H H 1 8.306 0.003 . 1 . . . . A 34 HIS H . 34064 1 60 . 1 1 10 10 HIS HA H 1 5.196 0.003 . 1 . . . . A 34 HIS HA . 34064 1 61 . 1 1 10 10 HIS HB2 H 1 3.539 0.006 . 2 . . . . A 34 HIS HB2 . 34064 1 62 . 1 1 10 10 HIS HB3 H 1 3.463 0.005 . 2 . . . . A 34 HIS HB3 . 34064 1 63 . 1 1 10 10 HIS HD2 H 1 7.091 0.003 . 1 . . . . A 34 HIS HD2 . 34064 1 64 . 1 1 10 10 HIS HE1 H 1 7.916 0.004 . 1 . . . . A 34 HIS HE1 . 34064 1 65 . 1 1 10 10 HIS N N 15 115.954 0.000 . 1 . . . . A 34 HIS N . 34064 1 66 . 1 1 11 11 CYS H H 1 8.545 0.005 . 1 . . . . A 35 CYS H . 34064 1 67 . 1 1 11 11 CYS HA H 1 5.667 0.005 . 1 . . . . A 35 CYS HA . 34064 1 68 . 1 1 11 11 CYS HB2 H 1 0.936 0.004 . 2 . . . . A 35 CYS HB2 . 34064 1 69 . 1 1 11 11 CYS HB3 H 1 2.062 0.003 . 2 . . . . A 35 CYS HB3 . 34064 1 70 . 1 1 11 11 CYS N N 15 117.942 0.000 . 1 . . . . A 35 CYS N . 34064 1 71 . 1 1 12 12 ALA H H 1 7.275 0.003 . 1 . . . . A 36 ALA H . 34064 1 72 . 1 1 12 12 ALA HA H 1 3.120 0.003 . 1 . . . . A 36 ALA HA . 34064 1 73 . 1 1 12 12 ALA HB1 H 1 1.475 0.002 . 1 . . . . A 36 ALA HB1 . 34064 1 74 . 1 1 12 12 ALA HB2 H 1 1.475 0.002 . 1 . . . . A 36 ALA HB2 . 34064 1 75 . 1 1 12 12 ALA HB3 H 1 1.475 0.002 . 1 . . . . A 36 ALA HB3 . 34064 1 76 . 1 1 12 12 ALA N N 15 119.652 0.000 . 1 . . . . A 36 ALA N . 34064 1 77 . 1 1 13 13 GLY H H 1 8.454 0.004 . 1 . . . . A 37 GLY H . 34064 1 78 . 1 1 13 13 GLY HA2 H 1 3.784 0.005 . 2 . . . . A 37 GLY HA2 . 34064 1 79 . 1 1 13 13 GLY HA3 H 1 3.669 0.005 . 2 . . . . A 37 GLY HA3 . 34064 1 80 . 1 1 13 13 GLY N N 15 105.550 0.000 . 1 . . . . A 37 GLY N . 34064 1 81 . 1 1 14 14 CYS H H 1 6.249 0.003 . 1 . . . . A 38 CYS H . 34064 1 82 . 1 1 14 14 CYS HA H 1 4.583 0.004 . 1 . . . . A 38 CYS HA . 34064 1 83 . 1 1 14 14 CYS HB2 H 1 0.631 0.007 . 1 . . . . A 38 CYS HB2 . 34064 1 84 . 1 1 14 14 CYS HB3 H 1 1.693 0.004 . 1 . . . . A 38 CYS HB3 . 34064 1 85 . 1 1 14 14 CYS N N 15 114.478 0.000 . 1 . . . . A 38 CYS N . 34064 1 86 . 1 1 15 15 HIS H H 1 6.481 0.004 . 1 . . . . A 39 HIS H . 34064 1 87 . 1 1 15 15 HIS HA H 1 3.493 0.005 . 1 . . . . A 39 HIS HA . 34064 1 88 . 1 1 15 15 HIS HB2 H 1 1.003 0.005 . 1 . . . . A 39 HIS HB2 . 34064 1 89 . 1 1 15 15 HIS HB3 H 1 1.278 0.006 . 1 . . . . A 39 HIS HB3 . 34064 1 90 . 1 1 15 15 HIS HD1 H 1 8.944 0.004 . 1 . . . . A 39 HIS HD1 . 34064 1 91 . 1 1 15 15 HIS HD2 H 1 0.522 0.001 . 1 . . . . A 39 HIS HD2 . 34064 1 92 . 1 1 15 15 HIS HE1 H 1 1.150 0.002 . 1 . . . . A 39 HIS HE1 . 34064 1 93 . 1 1 15 15 HIS N N 15 113.258 0.000 . 1 . . . . A 39 HIS N . 34064 1 94 . 1 1 16 16 PRO HA H 1 4.194 0.004 . 1 . . . . A 40 PRO HA . 34064 1 95 . 1 1 16 16 PRO HB2 H 1 1.989 0.006 . 2 . . . . A 40 PRO HB2 . 34064 1 96 . 1 1 16 16 PRO HB3 H 1 1.783 0.007 . 2 . . . . A 40 PRO HB3 . 34064 1 97 . 1 1 16 16 PRO HG3 H 1 1.669 0.001 . 2 . . . . A 40 PRO HG3 . 34064 1 98 . 1 1 16 16 PRO HD2 H 1 2.679 0.004 . 2 . . . . A 40 PRO HD2 . 34064 1 99 . 1 1 16 16 PRO HD3 H 1 2.576 0.003 . 2 . . . . A 40 PRO HD3 . 34064 1 100 . 1 1 17 17 GLN H H 1 9.713 0.004 . 1 . . . . A 41 GLN H . 34064 1 101 . 1 1 17 17 GLN HA H 1 3.838 0.002 . 1 . . . . A 41 GLN HA . 34064 1 102 . 1 1 17 17 GLN HB2 H 1 2.280 0.003 . 2 . . . . A 41 GLN HB2 . 34064 1 103 . 1 1 17 17 GLN HB3 H 1 1.988 0.004 . 2 . . . . A 41 GLN HB3 . 34064 1 104 . 1 1 17 17 GLN HG2 H 1 2.337 0.004 . 2 . . . . A 41 GLN HG2 . 34064 1 105 . 1 1 17 17 GLN HG3 H 1 2.300 0.000 . 2 . . . . A 41 GLN HG3 . 34064 1 106 . 1 1 17 17 GLN HE21 H 1 7.523 0.004 . 2 . . . . A 41 GLN HE21 . 34064 1 107 . 1 1 17 17 GLN HE22 H 1 6.839 0.004 . 2 . . . . A 41 GLN HE22 . 34064 1 108 . 1 1 17 17 GLN N N 15 122.057 0.000 . 1 . . . . A 41 GLN N . 34064 1 109 . 1 1 17 17 GLN NE2 N 15 112.139 0.001 . 1 . . . . A 41 GLN NE2 . 34064 1 110 . 1 1 18 18 GLY H H 1 7.488 0.004 . 1 . . . . A 42 GLY H . 34064 1 111 . 1 1 18 18 GLY HA2 H 1 2.415 0.006 . 1 . . . . A 42 GLY HA2 . 34064 1 112 . 1 1 18 18 GLY HA3 H 1 1.760 0.005 . 1 . . . . A 42 GLY HA3 . 34064 1 113 . 1 1 18 18 GLY N N 15 104.622 0.000 . 1 . . . . A 42 GLY N . 34064 1 114 . 1 1 19 19 GLY H H 1 7.138 0.003 . 1 . . . . A 43 GLY H . 34064 1 115 . 1 1 19 19 GLY HA2 H 1 3.711 0.006 . 2 . . . . A 43 GLY HA2 . 34064 1 116 . 1 1 19 19 GLY HA3 H 1 3.243 0.007 . 2 . . . . A 43 GLY HA3 . 34064 1 117 . 1 1 19 19 GLY N N 15 108.077 0.000 . 1 . . . . A 43 GLY N . 34064 1 118 . 1 1 20 20 ASN H H 1 8.289 0.002 . 1 . . . . A 44 ASN H . 34064 1 119 . 1 1 20 20 ASN HA H 1 3.983 0.007 . 1 . . . . A 44 ASN HA . 34064 1 120 . 1 1 20 20 ASN HB2 H 1 2.419 0.004 . 2 . . . . A 44 ASN HB2 . 34064 1 121 . 1 1 20 20 ASN HB3 H 1 1.436 0.001 . 2 . . . . A 44 ASN HB3 . 34064 1 122 . 1 1 20 20 ASN HD21 H 1 5.171 0.481 . 1 . . . . A 44 ASN HD21 . 34064 1 123 . 1 1 20 20 ASN HD22 H 1 7.268 0.004 . 1 . . . . A 44 ASN HD22 . 34064 1 124 . 1 1 20 20 ASN N N 15 119.661 0.000 . 1 . . . . A 44 ASN N . 34064 1 125 . 1 1 20 20 ASN ND2 N 15 112.243 0.000 . 1 . . . . A 44 ASN ND2 . 34064 1 126 . 1 1 21 21 THR H H 1 8.335 0.002 . 1 . . . . A 45 THR H . 34064 1 127 . 1 1 21 21 THR HA H 1 4.000 0.002 . 1 . . . . A 45 THR HA . 34064 1 128 . 1 1 21 21 THR HB H 1 4.319 0.000 . 1 . . . . A 45 THR HB . 34064 1 129 . 1 1 21 21 THR HG21 H 1 0.904 0.003 . 1 . . . . A 45 THR HG21 . 34064 1 130 . 1 1 21 21 THR HG22 H 1 0.904 0.003 . 1 . . . . A 45 THR HG22 . 34064 1 131 . 1 1 21 21 THR HG23 H 1 0.904 0.003 . 1 . . . . A 45 THR HG23 . 34064 1 132 . 1 1 21 21 THR N N 15 115.324 0.000 . 1 . . . . A 45 THR N . 34064 1 133 . 1 1 22 22 VAL H H 1 8.387 0.003 . 1 . . . . A 46 VAL H . 34064 1 134 . 1 1 22 22 VAL HA H 1 4.238 0.003 . 1 . . . . A 46 VAL HA . 34064 1 135 . 1 1 22 22 VAL HB H 1 2.524 0.004 . 1 . . . . A 46 VAL HB . 34064 1 136 . 1 1 22 22 VAL HG11 H 1 1.214 0.002 . 1 . . . . A 46 VAL HG11 . 34064 1 137 . 1 1 22 22 VAL HG12 H 1 1.214 0.002 . 1 . . . . A 46 VAL HG12 . 34064 1 138 . 1 1 22 22 VAL HG13 H 1 1.214 0.002 . 1 . . . . A 46 VAL HG13 . 34064 1 139 . 1 1 22 22 VAL HG21 H 1 1.410 0.002 . 1 . . . . A 46 VAL HG21 . 34064 1 140 . 1 1 22 22 VAL HG22 H 1 1.410 0.002 . 1 . . . . A 46 VAL HG22 . 34064 1 141 . 1 1 22 22 VAL HG23 H 1 1.410 0.002 . 1 . . . . A 46 VAL HG23 . 34064 1 142 . 1 1 22 22 VAL N N 15 123.215 0.000 . 1 . . . . A 46 VAL N . 34064 1 143 . 1 1 23 23 HIS H H 1 7.696 0.004 . 1 . . . . A 47 HIS H . 34064 1 144 . 1 1 23 23 HIS HA H 1 5.622 0.006 . 1 . . . . A 47 HIS HA . 34064 1 145 . 1 1 23 23 HIS HB2 H 1 3.544 0.004 . 2 . . . . A 47 HIS HB2 . 34064 1 146 . 1 1 23 23 HIS HB3 H 1 3.491 0.006 . 2 . . . . A 47 HIS HB3 . 34064 1 147 . 1 1 23 23 HIS HD2 H 1 7.640 0.004 . 1 . . . . A 47 HIS HD2 . 34064 1 148 . 1 1 23 23 HIS HE1 H 1 8.445 0.004 . 1 . . . . A 47 HIS HE1 . 34064 1 149 . 1 1 23 23 HIS N N 15 119.133 0.000 . 1 . . . . A 47 HIS N . 34064 1 150 . 1 1 24 24 PRO HA H 1 4.650 0.003 . 1 . . . . A 48 PRO HA . 34064 1 151 . 1 1 24 24 PRO HB2 H 1 2.390 0.002 . 2 . . . . A 48 PRO HB2 . 34064 1 152 . 1 1 24 24 PRO HG2 H 1 2.049 0.003 . 2 . . . . A 48 PRO HG2 . 34064 1 153 . 1 1 24 24 PRO HG3 H 1 1.905 0.002 . 2 . . . . A 48 PRO HG3 . 34064 1 154 . 1 1 24 24 PRO HD2 H 1 3.816 0.004 . 2 . . . . A 48 PRO HD2 . 34064 1 155 . 1 1 24 24 PRO HD3 H 1 3.682 0.003 . 2 . . . . A 48 PRO HD3 . 34064 1 156 . 1 1 25 25 GLU H H 1 9.001 0.003 . 1 . . . . A 49 GLU H . 34064 1 157 . 1 1 25 25 GLU HA H 1 4.345 0.003 . 1 . . . . A 49 GLU HA . 34064 1 158 . 1 1 25 25 GLU HB2 H 1 2.188 0.001 . 2 . . . . A 49 GLU HB2 . 34064 1 159 . 1 1 25 25 GLU HB3 H 1 2.056 0.003 . 2 . . . . A 49 GLU HB3 . 34064 1 160 . 1 1 25 25 GLU HG2 H 1 2.449 0.010 . 2 . . . . A 49 GLU HG2 . 34064 1 161 . 1 1 25 25 GLU HG3 H 1 2.323 0.003 . 2 . . . . A 49 GLU HG3 . 34064 1 162 . 1 1 25 25 GLU N N 15 114.675 0.000 . 1 . . . . A 49 GLU N . 34064 1 163 . 1 1 26 26 LYS H H 1 8.160 0.003 . 1 . . . . A 50 LYS H . 34064 1 164 . 1 1 26 26 LYS HA H 1 4.707 0.003 . 1 . . . . A 50 LYS HA . 34064 1 165 . 1 1 26 26 LYS HB2 H 1 2.221 0.005 . 1 . . . . A 50 LYS HB2 . 34064 1 166 . 1 1 26 26 LYS HB3 H 1 2.406 0.007 . 1 . . . . A 50 LYS HB3 . 34064 1 167 . 1 1 26 26 LYS HG2 H 1 2.041 0.004 . 2 . . . . A 50 LYS HG2 . 34064 1 168 . 1 1 26 26 LYS HG3 H 1 1.507 0.006 . 2 . . . . A 50 LYS HG3 . 34064 1 169 . 1 1 26 26 LYS HD2 H 1 1.936 0.001 . 2 . . . . A 50 LYS HD2 . 34064 1 170 . 1 1 26 26 LYS HD3 H 1 1.923 0.004 . 2 . . . . A 50 LYS HD3 . 34064 1 171 . 1 1 26 26 LYS HE2 H 1 3.278 0.002 . 2 . . . . A 50 LYS HE2 . 34064 1 172 . 1 1 26 26 LYS N N 15 123.056 0.000 . 1 . . . . A 50 LYS N . 34064 1 173 . 1 1 27 27 THR H H 1 6.937 0.002 . 1 . . . . A 51 THR H . 34064 1 174 . 1 1 27 27 THR HA H 1 3.467 0.004 . 1 . . . . A 51 THR HA . 34064 1 175 . 1 1 27 27 THR HB H 1 4.637 0.003 . 1 . . . . A 51 THR HB . 34064 1 176 . 1 1 27 27 THR HG21 H 1 1.055 0.004 . 1 . . . . A 51 THR HG21 . 34064 1 177 . 1 1 27 27 THR HG22 H 1 1.055 0.004 . 1 . . . . A 51 THR HG22 . 34064 1 178 . 1 1 27 27 THR HG23 H 1 1.055 0.004 . 1 . . . . A 51 THR HG23 . 34064 1 179 . 1 1 27 27 THR N N 15 109.389 0.000 . 1 . . . . A 51 THR N . 34064 1 180 . 1 1 28 28 LEU H H 1 8.219 0.003 . 1 . . . . A 52 LEU H . 34064 1 181 . 1 1 28 28 LEU HA H 1 3.972 0.001 . 1 . . . . A 52 LEU HA . 34064 1 182 . 1 1 28 28 LEU HB2 H 1 1.303 0.010 . 2 . . . . A 52 LEU HB2 . 34064 1 183 . 1 1 28 28 LEU HB3 H 1 0.850 0.006 . 2 . . . . A 52 LEU HB3 . 34064 1 184 . 1 1 28 28 LEU HG H 1 0.000 0.004 . 1 . . . . A 52 LEU HG . 34064 1 185 . 1 1 28 28 LEU HD11 H 1 -0.434 0.003 . 1 . . . . A 52 LEU HD11 . 34064 1 186 . 1 1 28 28 LEU HD12 H 1 -0.434 0.003 . 1 . . . . A 52 LEU HD12 . 34064 1 187 . 1 1 28 28 LEU HD13 H 1 -0.434 0.003 . 1 . . . . A 52 LEU HD13 . 34064 1 188 . 1 1 28 28 LEU HD21 H 1 -1.072 0.003 . 1 . . . . A 52 LEU HD21 . 34064 1 189 . 1 1 28 28 LEU HD22 H 1 -1.072 0.003 . 1 . . . . A 52 LEU HD22 . 34064 1 190 . 1 1 28 28 LEU HD23 H 1 -1.072 0.003 . 1 . . . . A 52 LEU HD23 . 34064 1 191 . 1 1 28 28 LEU N N 15 114.349 0.000 . 1 . . . . A 52 LEU N . 34064 1 192 . 1 1 29 29 ALA H H 1 6.915 0.009 . 1 . . . . A 53 ALA H . 34064 1 193 . 1 1 29 29 ALA HA H 1 4.020 0.004 . 1 . . . . A 53 ALA HA . 34064 1 194 . 1 1 29 29 ALA HB1 H 1 1.358 0.005 . 1 . . . . A 53 ALA HB1 . 34064 1 195 . 1 1 29 29 ALA HB2 H 1 1.358 0.005 . 1 . . . . A 53 ALA HB2 . 34064 1 196 . 1 1 29 29 ALA HB3 H 1 1.358 0.005 . 1 . . . . A 53 ALA HB3 . 34064 1 197 . 1 1 29 29 ALA N N 15 120.752 0.000 . 1 . . . . A 53 ALA N . 34064 1 198 . 1 1 30 30 ARG H H 1 7.774 0.002 . 1 . . . . A 54 ARG H . 34064 1 199 . 1 1 30 30 ARG HA H 1 3.669 0.003 . 1 . . . . A 54 ARG HA . 34064 1 200 . 1 1 30 30 ARG HB2 H 1 2.012 0.005 . 2 . . . . A 54 ARG HB2 . 34064 1 201 . 1 1 30 30 ARG HB3 H 1 1.909 0.007 . 2 . . . . A 54 ARG HB3 . 34064 1 202 . 1 1 30 30 ARG HG2 H 1 1.438 0.002 . 2 . . . . A 54 ARG HG2 . 34064 1 203 . 1 1 30 30 ARG HG3 H 1 1.661 0.007 . 2 . . . . A 54 ARG HG3 . 34064 1 204 . 1 1 30 30 ARG HD2 H 1 3.260 0.002 . 2 . . . . A 54 ARG HD2 . 34064 1 205 . 1 1 30 30 ARG HD3 H 1 3.285 0.002 . 2 . . . . A 54 ARG HD3 . 34064 1 206 . 1 1 30 30 ARG HE H 1 7.588 0.002 . 1 . . . . A 54 ARG HE . 34064 1 207 . 1 1 30 30 ARG N N 15 124.630 0.000 . 1 . . . . A 54 ARG N . 34064 1 208 . 1 1 31 31 ALA H H 1 9.500 0.004 . 1 . . . . A 55 ALA H . 34064 1 209 . 1 1 31 31 ALA HA H 1 4.113 0.003 . 1 . . . . A 55 ALA HA . 34064 1 210 . 1 1 31 31 ALA HB1 H 1 1.428 0.002 . 1 . . . . A 55 ALA HB1 . 34064 1 211 . 1 1 31 31 ALA HB2 H 1 1.428 0.002 . 1 . . . . A 55 ALA HB2 . 34064 1 212 . 1 1 31 31 ALA HB3 H 1 1.428 0.002 . 1 . . . . A 55 ALA HB3 . 34064 1 213 . 1 1 31 31 ALA N N 15 117.650 0.000 . 1 . . . . A 55 ALA N . 34064 1 214 . 1 1 32 32 ARG H H 1 7.030 0.003 . 1 . . . . A 56 ARG H . 34064 1 215 . 1 1 32 32 ARG HA H 1 4.260 0.005 . 1 . . . . A 56 ARG HA . 34064 1 216 . 1 1 32 32 ARG HB2 H 1 1.899 0.003 . 2 . . . . A 56 ARG HB2 . 34064 1 217 . 1 1 32 32 ARG HB3 H 1 1.859 0.003 . 2 . . . . A 56 ARG HB3 . 34064 1 218 . 1 1 32 32 ARG HG2 H 1 1.754 0.005 . 2 . . . . A 56 ARG HG2 . 34064 1 219 . 1 1 32 32 ARG HG3 H 1 1.801 0.001 . 2 . . . . A 56 ARG HG3 . 34064 1 220 . 1 1 32 32 ARG HD2 H 1 3.394 0.001 . 2 . . . . A 56 ARG HD2 . 34064 1 221 . 1 1 32 32 ARG HD3 H 1 3.335 0.003 . 2 . . . . A 56 ARG HD3 . 34064 1 222 . 1 1 32 32 ARG HE H 1 6.939 0.003 . 1 . . . . A 56 ARG HE . 34064 1 223 . 1 1 32 32 ARG N N 15 116.098 0.000 . 1 . . . . A 56 ARG N . 34064 1 224 . 1 1 33 33 ARG H H 1 8.505 0.003 . 1 . . . . A 57 ARG H . 34064 1 225 . 1 1 33 33 ARG HA H 1 4.139 0.004 . 1 . . . . A 57 ARG HA . 34064 1 226 . 1 1 33 33 ARG HB2 H 1 1.738 0.002 . 2 . . . . A 57 ARG HB2 . 34064 1 227 . 1 1 33 33 ARG HG2 H 1 1.447 0.003 . 2 . . . . A 57 ARG HG2 . 34064 1 228 . 1 1 33 33 ARG HD2 H 1 2.890 0.003 . 2 . . . . A 57 ARG HD2 . 34064 1 229 . 1 1 33 33 ARG HD3 H 1 2.934 0.004 . 2 . . . . A 57 ARG HD3 . 34064 1 230 . 1 1 33 33 ARG N N 15 117.980 0.000 . 1 . . . . A 57 ARG N . 34064 1 231 . 1 1 34 34 GLU H H 1 8.756 0.046 . 1 . . . . A 58 GLU H . 34064 1 232 . 1 1 34 34 GLU HA H 1 3.775 0.005 . 1 . . . . A 58 GLU HA . 34064 1 233 . 1 1 34 34 GLU HB2 H 1 2.021 0.005 . 1 . . . . A 58 GLU HB2 . 34064 1 234 . 1 1 34 34 GLU HB3 H 1 2.096 0.003 . 1 . . . . A 58 GLU HB3 . 34064 1 235 . 1 1 34 34 GLU HG2 H 1 2.909 0.004 . 2 . . . . A 58 GLU HG2 . 34064 1 236 . 1 1 34 34 GLU N N 15 119.685 0.000 . 1 . . . . A 58 GLU N . 34064 1 237 . 1 1 35 35 ALA H H 1 7.567 0.002 . 1 . . . . A 59 ALA H . 34064 1 238 . 1 1 35 35 ALA HA H 1 4.310 0.008 . 1 . . . . A 59 ALA HA . 34064 1 239 . 1 1 35 35 ALA HB1 H 1 1.653 0.003 . 1 . . . . A 59 ALA HB1 . 34064 1 240 . 1 1 35 35 ALA HB2 H 1 1.653 0.003 . 1 . . . . A 59 ALA HB2 . 34064 1 241 . 1 1 35 35 ALA HB3 H 1 1.653 0.003 . 1 . . . . A 59 ALA HB3 . 34064 1 242 . 1 1 35 35 ALA N N 15 122.903 0.000 . 1 . . . . A 59 ALA N . 34064 1 243 . 1 1 36 36 ASN H H 1 7.417 0.005 . 1 . . . . A 60 ASN H . 34064 1 244 . 1 1 36 36 ASN HA H 1 5.111 0.005 . 1 . . . . A 60 ASN HA . 34064 1 245 . 1 1 36 36 ASN HB2 H 1 2.919 0.005 . 1 . . . . A 60 ASN HB2 . 34064 1 246 . 1 1 36 36 ASN HB3 H 1 3.307 0.004 . 1 . . . . A 60 ASN HB3 . 34064 1 247 . 1 1 36 36 ASN HD21 H 1 7.867 0.006 . 2 . . . . A 60 ASN HD21 . 34064 1 248 . 1 1 36 36 ASN HD22 H 1 7.580 0.007 . 2 . . . . A 60 ASN HD22 . 34064 1 249 . 1 1 36 36 ASN N N 15 115.043 0.000 . 1 . . . . A 60 ASN N . 34064 1 250 . 1 1 36 36 ASN ND2 N 15 113.863 0.007 . 1 . . . . A 60 ASN ND2 . 34064 1 251 . 1 1 37 37 GLY H H 1 7.870 0.003 . 1 . . . . A 61 GLY H . 34064 1 252 . 1 1 37 37 GLY HA2 H 1 4.294 0.005 . 2 . . . . A 61 GLY HA2 . 34064 1 253 . 1 1 37 37 GLY HA3 H 1 3.767 0.002 . 2 . . . . A 61 GLY HA3 . 34064 1 254 . 1 1 37 37 GLY N N 15 106.237 0.000 . 1 . . . . A 61 GLY N . 34064 1 255 . 1 1 38 38 ILE H H 1 8.280 0.003 . 1 . . . . A 62 ILE H . 34064 1 256 . 1 1 38 38 ILE HA H 1 4.227 0.005 . 1 . . . . A 62 ILE HA . 34064 1 257 . 1 1 38 38 ILE HB H 1 1.940 0.003 . 1 . . . . A 62 ILE HB . 34064 1 258 . 1 1 38 38 ILE HG12 H 1 1.009 0.002 . 2 . . . . A 62 ILE HG12 . 34064 1 259 . 1 1 38 38 ILE HG13 H 1 1.480 0.006 . 2 . . . . A 62 ILE HG13 . 34064 1 260 . 1 1 38 38 ILE HG21 H 1 0.909 0.002 . 1 . . . . A 62 ILE HG21 . 34064 1 261 . 1 1 38 38 ILE HG22 H 1 0.909 0.002 . 1 . . . . A 62 ILE HG22 . 34064 1 262 . 1 1 38 38 ILE HG23 H 1 0.909 0.002 . 1 . . . . A 62 ILE HG23 . 34064 1 263 . 1 1 38 38 ILE HD11 H 1 0.786 0.003 . 1 . . . . A 62 ILE HD11 . 34064 1 264 . 1 1 38 38 ILE HD12 H 1 0.786 0.003 . 1 . . . . A 62 ILE HD12 . 34064 1 265 . 1 1 38 38 ILE HD13 H 1 0.786 0.003 . 1 . . . . A 62 ILE HD13 . 34064 1 266 . 1 1 38 38 ILE N N 15 123.687 0.000 . 1 . . . . A 62 ILE N . 34064 1 267 . 1 1 39 39 ARG H H 1 9.402 0.006 . 1 . . . . A 63 ARG H . 34064 1 268 . 1 1 39 39 ARG HA H 1 3.333 0.005 . 1 . . . . A 63 ARG HA . 34064 1 269 . 1 1 39 39 ARG HB2 H 1 2.060 0.002 . 2 . . . . A 63 ARG HB2 . 34064 1 270 . 1 1 39 39 ARG HB3 H 1 1.943 0.007 . 2 . . . . A 63 ARG HB3 . 34064 1 271 . 1 1 39 39 ARG HG2 H 1 1.468 0.003 . 2 . . . . A 63 ARG HG2 . 34064 1 272 . 1 1 39 39 ARG HG3 H 1 1.606 0.004 . 2 . . . . A 63 ARG HG3 . 34064 1 273 . 1 1 39 39 ARG HD2 H 1 3.288 0.006 . 2 . . . . A 63 ARG HD2 . 34064 1 274 . 1 1 39 39 ARG HE H 1 7.421 0.008 . 1 . . . . A 63 ARG HE . 34064 1 275 . 1 1 40 40 THR H H 1 8.592 0.006 . 1 . . . . A 64 THR H . 34064 1 276 . 1 1 40 40 THR HA H 1 4.840 0.002 . 1 . . . . A 64 THR HA . 34064 1 277 . 1 1 40 40 THR HB H 1 4.104 0.006 . 1 . . . . A 64 THR HB . 34064 1 278 . 1 1 40 40 THR HG21 H 1 1.317 0.003 . 1 . . . . A 64 THR HG21 . 34064 1 279 . 1 1 40 40 THR HG22 H 1 1.317 0.003 . 1 . . . . A 64 THR HG22 . 34064 1 280 . 1 1 40 40 THR HG23 H 1 1.317 0.003 . 1 . . . . A 64 THR HG23 . 34064 1 281 . 1 1 40 40 THR N N 15 110.971 0.000 . 1 . . . . A 64 THR N . 34064 1 282 . 1 1 41 41 VAL H H 1 8.641 0.001 . 1 . . . . A 65 VAL H . 34064 1 283 . 1 1 41 41 VAL HA H 1 3.458 0.003 . 1 . . . . A 65 VAL HA . 34064 1 284 . 1 1 41 41 VAL HB H 1 2.157 0.002 . 1 . . . . A 65 VAL HB . 34064 1 285 . 1 1 41 41 VAL HG11 H 1 1.145 0.003 . 1 . . . . A 65 VAL HG11 . 34064 1 286 . 1 1 41 41 VAL HG12 H 1 1.145 0.003 . 1 . . . . A 65 VAL HG12 . 34064 1 287 . 1 1 41 41 VAL HG13 H 1 1.145 0.003 . 1 . . . . A 65 VAL HG13 . 34064 1 288 . 1 1 41 41 VAL HG21 H 1 1.155 0.002 . 1 . . . . A 65 VAL HG21 . 34064 1 289 . 1 1 41 41 VAL HG22 H 1 1.155 0.002 . 1 . . . . A 65 VAL HG22 . 34064 1 290 . 1 1 41 41 VAL HG23 H 1 1.155 0.002 . 1 . . . . A 65 VAL HG23 . 34064 1 291 . 1 1 41 41 VAL N N 15 119.683 0.000 . 1 . . . . A 65 VAL N . 34064 1 292 . 1 1 42 42 ARG H H 1 8.034 0.003 . 1 . . . . A 66 ARG H . 34064 1 293 . 1 1 42 42 ARG HA H 1 3.950 0.003 . 1 . . . . A 66 ARG HA . 34064 1 294 . 1 1 42 42 ARG HB2 H 1 1.897 0.005 . 2 . . . . A 66 ARG HB2 . 34064 1 295 . 1 1 42 42 ARG HG2 H 1 1.863 0.003 . 2 . . . . A 66 ARG HG2 . 34064 1 296 . 1 1 42 42 ARG HG3 H 1 1.696 0.004 . 2 . . . . A 66 ARG HG3 . 34064 1 297 . 1 1 42 42 ARG HD2 H 1 3.246 0.005 . 2 . . . . A 66 ARG HD2 . 34064 1 298 . 1 1 42 42 ARG HE H 1 7.439 0.002 . 1 . . . . A 66 ARG HE . 34064 1 299 . 1 1 42 42 ARG N N 15 117.888 0.000 . 1 . . . . A 66 ARG N . 34064 1 300 . 1 1 43 43 ASP H H 1 8.233 0.002 . 1 . . . . A 67 ASP H . 34064 1 301 . 1 1 43 43 ASP HA H 1 4.591 0.002 . 1 . . . . A 67 ASP HA . 34064 1 302 . 1 1 43 43 ASP HB2 H 1 3.337 0.004 . 1 . . . . A 67 ASP HB2 . 34064 1 303 . 1 1 43 43 ASP HB3 H 1 2.900 0.002 . 1 . . . . A 67 ASP HB3 . 34064 1 304 . 1 1 43 43 ASP N N 15 120.796 0.000 . 1 . . . . A 67 ASP N . 34064 1 305 . 1 1 44 44 VAL H H 1 8.092 0.007 . 1 . . . . A 68 VAL H . 34064 1 306 . 1 1 44 44 VAL HA H 1 3.718 0.003 . 1 . . . . A 68 VAL HA . 34064 1 307 . 1 1 44 44 VAL HB H 1 2.569 0.004 . 1 . . . . A 68 VAL HB . 34064 1 308 . 1 1 44 44 VAL HG11 H 1 1.535 0.003 . 1 . . . . A 68 VAL HG11 . 34064 1 309 . 1 1 44 44 VAL HG12 H 1 1.535 0.003 . 1 . . . . A 68 VAL HG12 . 34064 1 310 . 1 1 44 44 VAL HG13 H 1 1.535 0.003 . 1 . . . . A 68 VAL HG13 . 34064 1 311 . 1 1 44 44 VAL HG21 H 1 1.207 0.004 . 1 . . . . A 68 VAL HG21 . 34064 1 312 . 1 1 44 44 VAL HG22 H 1 1.207 0.004 . 1 . . . . A 68 VAL HG22 . 34064 1 313 . 1 1 44 44 VAL HG23 H 1 1.207 0.004 . 1 . . . . A 68 VAL HG23 . 34064 1 314 . 1 1 44 44 VAL N N 15 121.772 0.000 . 1 . . . . A 68 VAL N . 34064 1 315 . 1 1 45 45 ALA H H 1 7.994 0.005 . 1 . . . . A 69 ALA H . 34064 1 316 . 1 1 45 45 ALA HA H 1 3.903 0.003 . 1 . . . . A 69 ALA HA . 34064 1 317 . 1 1 45 45 ALA HB1 H 1 1.438 0.003 . 1 . . . . A 69 ALA HB1 . 34064 1 318 . 1 1 45 45 ALA HB2 H 1 1.438 0.003 . 1 . . . . A 69 ALA HB2 . 34064 1 319 . 1 1 45 45 ALA HB3 H 1 1.438 0.003 . 1 . . . . A 69 ALA HB3 . 34064 1 320 . 1 1 45 45 ALA N N 15 119.506 0.000 . 1 . . . . A 69 ALA N . 34064 1 321 . 1 1 46 46 ALA H H 1 8.084 0.002 . 1 . . . . A 70 ALA H . 34064 1 322 . 1 1 46 46 ALA HA H 1 4.159 0.007 . 1 . . . . A 70 ALA HA . 34064 1 323 . 1 1 46 46 ALA HB1 H 1 1.516 0.002 . 1 . . . . A 70 ALA HB1 . 34064 1 324 . 1 1 46 46 ALA HB2 H 1 1.516 0.002 . 1 . . . . A 70 ALA HB2 . 34064 1 325 . 1 1 46 46 ALA HB3 H 1 1.516 0.002 . 1 . . . . A 70 ALA HB3 . 34064 1 326 . 1 1 46 46 ALA N N 15 116.954 0.000 . 1 . . . . A 70 ALA N . 34064 1 327 . 1 1 47 47 TYR H H 1 8.232 0.003 . 1 . . . . A 71 TYR H . 34064 1 328 . 1 1 47 47 TYR HA H 1 3.719 0.003 . 1 . . . . A 71 TYR HA . 34064 1 329 . 1 1 47 47 TYR HB2 H 1 3.003 0.004 . 2 . . . . A 71 TYR HB2 . 34064 1 330 . 1 1 47 47 TYR HB3 H 1 3.275 0.006 . 2 . . . . A 71 TYR HB3 . 34064 1 331 . 1 1 47 47 TYR HD1 H 1 6.883 0.002 . 1 . . . . A 71 TYR HD1 . 34064 1 332 . 1 1 47 47 TYR HE1 H 1 6.365 0.001 . 1 . . . . A 71 TYR HE1 . 34064 1 333 . 1 1 47 47 TYR N N 15 122.374 0.000 . 1 . . . . A 71 TYR N . 34064 1 334 . 1 1 48 48 ILE H H 1 7.092 0.003 . 1 . . . . A 72 ILE H . 34064 1 335 . 1 1 48 48 ILE HA H 1 2.626 0.002 . 1 . . . . A 72 ILE HA . 34064 1 336 . 1 1 48 48 ILE HB H 1 1.530 0.004 . 1 . . . . A 72 ILE HB . 34064 1 337 . 1 1 48 48 ILE HG12 H 1 1.625 0.006 . 2 . . . . A 72 ILE HG12 . 34064 1 338 . 1 1 48 48 ILE HG13 H 1 1.174 0.002 . 2 . . . . A 72 ILE HG13 . 34064 1 339 . 1 1 48 48 ILE HG21 H 1 0.827 0.018 . 1 . . . . A 72 ILE HG21 . 34064 1 340 . 1 1 48 48 ILE HG22 H 1 0.827 0.018 . 1 . . . . A 72 ILE HG22 . 34064 1 341 . 1 1 48 48 ILE HG23 H 1 0.827 0.018 . 1 . . . . A 72 ILE HG23 . 34064 1 342 . 1 1 48 48 ILE HD11 H 1 0.696 0.006 . 1 . . . . A 72 ILE HD11 . 34064 1 343 . 1 1 48 48 ILE HD12 H 1 0.696 0.006 . 1 . . . . A 72 ILE HD12 . 34064 1 344 . 1 1 48 48 ILE HD13 H 1 0.696 0.006 . 1 . . . . A 72 ILE HD13 . 34064 1 345 . 1 1 48 48 ILE N N 15 105.976 0.000 . 1 . . . . A 72 ILE N . 34064 1 346 . 1 1 49 49 ARG H H 1 6.803 0.003 . 1 . . . . A 73 ARG H . 34064 1 347 . 1 1 49 49 ARG HA H 1 3.897 0.002 . 1 . . . . A 73 ARG HA . 34064 1 348 . 1 1 49 49 ARG HB2 H 1 1.859 0.002 . 2 . . . . A 73 ARG HB2 . 34064 1 349 . 1 1 49 49 ARG HB3 H 1 1.815 0.002 . 2 . . . . A 73 ARG HB3 . 34064 1 350 . 1 1 49 49 ARG HD2 H 1 3.318 0.003 . 2 . . . . A 73 ARG HD2 . 34064 1 351 . 1 1 49 49 ARG HD3 H 1 3.089 0.002 . 2 . . . . A 73 ARG HD3 . 34064 1 352 . 1 1 49 49 ARG HE H 1 7.152 0.005 . 1 . . . . A 73 ARG HE . 34064 1 353 . 1 1 49 49 ARG N N 15 114.539 0.000 . 1 . . . . A 73 ARG N . 34064 1 354 . 1 1 50 50 ASN H H 1 6.771 0.003 . 1 . . . . A 74 ASN H . 34064 1 355 . 1 1 50 50 ASN HA H 1 4.487 0.005 . 1 . . . . A 74 ASN HA . 34064 1 356 . 1 1 50 50 ASN HB2 H 1 2.402 0.010 . 2 . . . . A 74 ASN HB2 . 34064 1 357 . 1 1 50 50 ASN HB3 H 1 2.276 0.005 . 2 . . . . A 74 ASN HB3 . 34064 1 358 . 1 1 50 50 ASN HD21 H 1 7.465 0.002 . 2 . . . . A 74 ASN HD21 . 34064 1 359 . 1 1 50 50 ASN HD22 H 1 6.615 0.002 . 2 . . . . A 74 ASN HD22 . 34064 1 360 . 1 1 50 50 ASN N N 15 112.553 0.000 . 1 . . . . A 74 ASN N . 34064 1 361 . 1 1 50 50 ASN ND2 N 15 112.444 0.001 . 1 . . . . A 74 ASN ND2 . 34064 1 362 . 1 1 51 51 PRO HA H 1 2.770 0.003 . 1 . . . . A 75 PRO HA . 34064 1 363 . 1 1 51 51 PRO HB2 H 1 0.040 0.003 . 2 . . . . A 75 PRO HB2 . 34064 1 364 . 1 1 51 51 PRO HB3 H 1 -0.283 0.002 . 2 . . . . A 75 PRO HB3 . 34064 1 365 . 1 1 51 51 PRO HG2 H 1 0.484 0.005 . 2 . . . . A 75 PRO HG2 . 34064 1 366 . 1 1 51 51 PRO HG3 H 1 0.339 0.001 . 2 . . . . A 75 PRO HG3 . 34064 1 367 . 1 1 51 51 PRO HD2 H 1 2.656 0.002 . 2 . . . . A 75 PRO HD2 . 34064 1 368 . 1 1 51 51 PRO HD3 H 1 2.504 0.004 . 2 . . . . A 75 PRO HD3 . 34064 1 369 . 1 1 52 52 GLY H H 1 6.639 0.003 . 1 . . . . A 76 GLY H . 34064 1 370 . 1 1 52 52 GLY HA2 H 1 4.030 0.009 . 2 . . . . A 76 GLY HA2 . 34064 1 371 . 1 1 52 52 GLY HA3 H 1 3.854 0.005 . 2 . . . . A 76 GLY HA3 . 34064 1 372 . 1 1 52 52 GLY N N 15 102.830 0.000 . 1 . . . . A 76 GLY N . 34064 1 373 . 1 1 53 53 PRO HA H 1 4.056 0.003 . 1 . . . . A 77 PRO HA . 34064 1 374 . 1 1 53 53 PRO HB2 H 1 2.241 0.001 . 2 . . . . A 77 PRO HB2 . 34064 1 375 . 1 1 53 53 PRO HB3 H 1 2.031 0.006 . 2 . . . . A 77 PRO HB3 . 34064 1 376 . 1 1 53 53 PRO HD2 H 1 3.657 0.003 . 2 . . . . A 77 PRO HD2 . 34064 1 377 . 1 1 53 53 PRO HD3 H 1 3.537 0.002 . 2 . . . . A 77 PRO HD3 . 34064 1 378 . 1 1 54 54 GLY H H 1 8.101 0.002 . 1 . . . . A 78 GLY H . 34064 1 379 . 1 1 54 54 GLY HA2 H 1 4.319 0.008 . 2 . . . . A 78 GLY HA2 . 34064 1 380 . 1 1 54 54 GLY HA3 H 1 3.559 0.006 . 2 . . . . A 78 GLY HA3 . 34064 1 381 . 1 1 54 54 GLY N N 15 107.962 0.000 . 1 . . . . A 78 GLY N . 34064 1 382 . 1 1 55 55 MET H H 1 7.018 0.002 . 1 . . . . A 79 MET H . 34064 1 383 . 1 1 55 55 MET HA H 1 3.834 0.002 . 1 . . . . A 79 MET HA . 34064 1 384 . 1 1 55 55 MET HB2 H 1 -2.994 0.003 . 1 . . . . A 79 MET HB2 . 34064 1 385 . 1 1 55 55 MET HB3 H 1 -0.516 0.003 . 1 . . . . A 79 MET HB3 . 34064 1 386 . 1 1 55 55 MET HG2 H 1 -1.248 0.003 . 2 . . . . A 79 MET HG2 . 34064 1 387 . 1 1 55 55 MET HG3 H 1 -3.293 0.002 . 2 . . . . A 79 MET HG3 . 34064 1 388 . 1 1 55 55 MET HE1 H 1 -2.847 0.002 . 1 . . . . A 79 MET HE1 . 34064 1 389 . 1 1 55 55 MET HE2 H 1 -2.847 0.002 . 1 . . . . A 79 MET HE2 . 34064 1 390 . 1 1 55 55 MET HE3 H 1 -2.847 0.002 . 1 . . . . A 79 MET HE3 . 34064 1 391 . 1 1 55 55 MET N N 15 122.055 0.000 . 1 . . . . A 79 MET N . 34064 1 392 . 1 1 56 56 PRO HA H 1 3.689 0.002 . 1 . . . . A 80 PRO HA . 34064 1 393 . 1 1 56 56 PRO HB2 H 1 1.692 0.005 . 2 . . . . A 80 PRO HB2 . 34064 1 394 . 1 1 56 56 PRO HB3 H 1 0.946 0.006 . 2 . . . . A 80 PRO HB3 . 34064 1 395 . 1 1 56 56 PRO HG2 H 1 1.884 0.005 . 2 . . . . A 80 PRO HG2 . 34064 1 396 . 1 1 56 56 PRO HG3 H 1 1.724 0.003 . 2 . . . . A 80 PRO HG3 . 34064 1 397 . 1 1 56 56 PRO HD2 H 1 3.575 0.004 . 2 . . . . A 80 PRO HD2 . 34064 1 398 . 1 1 56 56 PRO HD3 H 1 2.758 0.004 . 2 . . . . A 80 PRO HD3 . 34064 1 399 . 1 1 57 57 ALA H H 1 7.077 0.006 . 1 . . . . A 81 ALA H . 34064 1 400 . 1 1 57 57 ALA HA H 1 3.417 0.003 . 1 . . . . A 81 ALA HA . 34064 1 401 . 1 1 57 57 ALA HB1 H 1 0.861 0.002 . 1 . . . . A 81 ALA HB1 . 34064 1 402 . 1 1 57 57 ALA HB2 H 1 0.861 0.002 . 1 . . . . A 81 ALA HB2 . 34064 1 403 . 1 1 57 57 ALA HB3 H 1 0.861 0.002 . 1 . . . . A 81 ALA HB3 . 34064 1 404 . 1 1 57 57 ALA N N 15 117.811 0.000 . 1 . . . . A 81 ALA N . 34064 1 405 . 1 1 58 58 PHE H H 1 8.107 0.003 . 1 . . . . A 82 PHE H . 34064 1 406 . 1 1 58 58 PHE HA H 1 4.366 0.009 . 1 . . . . A 82 PHE HA . 34064 1 407 . 1 1 58 58 PHE HB2 H 1 2.433 0.005 . 1 . . . . A 82 PHE HB2 . 34064 1 408 . 1 1 58 58 PHE HB3 H 1 2.232 0.005 . 1 . . . . A 82 PHE HB3 . 34064 1 409 . 1 1 58 58 PHE HD1 H 1 6.774 0.002 . 1 . . . . A 82 PHE HD1 . 34064 1 410 . 1 1 58 58 PHE HE1 H 1 7.082 0.005 . 1 . . . . A 82 PHE HE1 . 34064 1 411 . 1 1 58 58 PHE HZ H 1 8.250 0.004 . 1 . . . . A 82 PHE HZ . 34064 1 412 . 1 1 58 58 PHE N N 15 121.994 0.000 . 1 . . . . A 82 PHE N . 34064 1 413 . 1 1 59 59 GLY H H 1 8.391 0.002 . 1 . . . . A 83 GLY H . 34064 1 414 . 1 1 59 59 GLY HA2 H 1 4.205 0.005 . 2 . . . . A 83 GLY HA2 . 34064 1 415 . 1 1 59 59 GLY HA3 H 1 3.850 0.004 . 2 . . . . A 83 GLY HA3 . 34064 1 416 . 1 1 59 59 GLY N N 15 111.498 0.000 . 1 . . . . A 83 GLY N . 34064 1 417 . 1 1 60 60 GLU H H 1 8.979 0.002 . 1 . . . . A 84 GLU H . 34064 1 418 . 1 1 60 60 GLU HA H 1 3.956 0.005 . 1 . . . . A 84 GLU HA . 34064 1 419 . 1 1 60 60 GLU HB3 H 1 1.946 0.001 . 2 . . . . A 84 GLU HB3 . 34064 1 420 . 1 1 60 60 GLU N N 15 120.282 0.000 . 1 . . . . A 84 GLU N . 34064 1 421 . 1 1 61 61 ALA H H 1 8.259 0.002 . 1 . . . . A 85 ALA H . 34064 1 422 . 1 1 61 61 ALA HA H 1 4.200 0.008 . 1 . . . . A 85 ALA HA . 34064 1 423 . 1 1 61 61 ALA HB1 H 1 1.392 0.003 . 1 . . . . A 85 ALA HB1 . 34064 1 424 . 1 1 61 61 ALA HB2 H 1 1.392 0.003 . 1 . . . . A 85 ALA HB2 . 34064 1 425 . 1 1 61 61 ALA HB3 H 1 1.392 0.003 . 1 . . . . A 85 ALA HB3 . 34064 1 426 . 1 1 61 61 ALA N N 15 118.795 0.000 . 1 . . . . A 85 ALA N . 34064 1 427 . 1 1 62 62 MET H H 1 7.326 0.003 . 1 . . . . A 86 MET H . 34064 1 428 . 1 1 62 62 MET HA H 1 4.437 0.003 . 1 . . . . A 86 MET HA . 34064 1 429 . 1 1 62 62 MET HB2 H 1 2.150 0.006 . 1 . . . . A 86 MET HB2 . 34064 1 430 . 1 1 62 62 MET HB3 H 1 2.112 0.002 . 1 . . . . A 86 MET HB3 . 34064 1 431 . 1 1 62 62 MET HG2 H 1 2.698 0.004 . 2 . . . . A 86 MET HG2 . 34064 1 432 . 1 1 62 62 MET HG3 H 1 2.593 0.005 . 2 . . . . A 86 MET HG3 . 34064 1 433 . 1 1 62 62 MET HE1 H 1 2.264 0.001 . 1 . . . . A 86 MET HE1 . 34064 1 434 . 1 1 62 62 MET HE2 H 1 2.264 0.001 . 1 . . . . A 86 MET HE2 . 34064 1 435 . 1 1 62 62 MET HE3 H 1 2.264 0.001 . 1 . . . . A 86 MET HE3 . 34064 1 436 . 1 1 62 62 MET N N 15 116.379 0.000 . 1 . . . . A 86 MET N . 34064 1 437 . 1 1 63 63 ILE H H 1 7.919 0.003 . 1 . . . . A 87 ILE H . 34064 1 438 . 1 1 63 63 ILE HA H 1 4.599 0.005 . 1 . . . . A 87 ILE HA . 34064 1 439 . 1 1 63 63 ILE HB H 1 1.460 0.002 . 1 . . . . A 87 ILE HB . 34064 1 440 . 1 1 63 63 ILE HG12 H 1 1.170 0.003 . 2 . . . . A 87 ILE HG12 . 34064 1 441 . 1 1 63 63 ILE HG13 H 1 0.734 0.005 . 2 . . . . A 87 ILE HG13 . 34064 1 442 . 1 1 63 63 ILE HG21 H 1 0.720 0.002 . 1 . . . . A 87 ILE HG21 . 34064 1 443 . 1 1 63 63 ILE HG22 H 1 0.720 0.002 . 1 . . . . A 87 ILE HG22 . 34064 1 444 . 1 1 63 63 ILE HG23 H 1 0.720 0.002 . 1 . . . . A 87 ILE HG23 . 34064 1 445 . 1 1 63 63 ILE HD11 H 1 0.135 0.002 . 1 . . . . A 87 ILE HD11 . 34064 1 446 . 1 1 63 63 ILE HD12 H 1 0.135 0.002 . 1 . . . . A 87 ILE HD12 . 34064 1 447 . 1 1 63 63 ILE HD13 H 1 0.135 0.002 . 1 . . . . A 87 ILE HD13 . 34064 1 448 . 1 1 63 63 ILE N N 15 115.122 0.000 . 1 . . . . A 87 ILE N . 34064 1 449 . 1 1 64 64 PRO HA H 1 5.071 0.005 . 1 . . . . A 88 PRO HA . 34064 1 450 . 1 1 64 64 PRO HB2 H 1 2.672 0.003 . 2 . . . . A 88 PRO HB2 . 34064 1 451 . 1 1 64 64 PRO HB3 H 1 2.023 0.007 . 2 . . . . A 88 PRO HB3 . 34064 1 452 . 1 1 64 64 PRO HG2 H 1 2.159 0.004 . 2 . . . . A 88 PRO HG2 . 34064 1 453 . 1 1 64 64 PRO HG3 H 1 2.035 0.006 . 2 . . . . A 88 PRO HG3 . 34064 1 454 . 1 1 64 64 PRO HD2 H 1 4.073 0.004 . 2 . . . . A 88 PRO HD2 . 34064 1 455 . 1 1 64 64 PRO HD3 H 1 3.601 0.003 . 2 . . . . A 88 PRO HD3 . 34064 1 456 . 1 1 65 65 PRO HA H 1 4.049 0.003 . 1 . . . . A 89 PRO HA . 34064 1 457 . 1 1 65 65 PRO HB2 H 1 2.507 0.004 . 2 . . . . A 89 PRO HB2 . 34064 1 458 . 1 1 65 65 PRO HB3 H 1 2.053 0.005 . 2 . . . . A 89 PRO HB3 . 34064 1 459 . 1 1 65 65 PRO HG2 H 1 2.312 0.003 . 2 . . . . A 89 PRO HG2 . 34064 1 460 . 1 1 65 65 PRO HG3 H 1 2.030 0.002 . 2 . . . . A 89 PRO HG3 . 34064 1 461 . 1 1 65 65 PRO HD2 H 1 3.940 0.004 . 2 . . . . A 89 PRO HD2 . 34064 1 462 . 1 1 65 65 PRO HD3 H 1 3.726 0.004 . 2 . . . . A 89 PRO HD3 . 34064 1 463 . 1 1 66 66 ALA H H 1 9.109 0.003 . 1 . . . . A 90 ALA H . 34064 1 464 . 1 1 66 66 ALA HA H 1 4.172 0.003 . 1 . . . . A 90 ALA HA . 34064 1 465 . 1 1 66 66 ALA HB1 H 1 1.481 0.002 . 1 . . . . A 90 ALA HB1 . 34064 1 466 . 1 1 66 66 ALA HB2 H 1 1.481 0.002 . 1 . . . . A 90 ALA HB2 . 34064 1 467 . 1 1 66 66 ALA HB3 H 1 1.481 0.002 . 1 . . . . A 90 ALA HB3 . 34064 1 468 . 1 1 66 66 ALA N N 15 118.212 0.000 . 1 . . . . A 90 ALA N . 34064 1 469 . 1 1 67 67 ASP H H 1 7.239 0.003 . 1 . . . . A 91 ASP H . 34064 1 470 . 1 1 67 67 ASP HA H 1 4.523 0.005 . 1 . . . . A 91 ASP HA . 34064 1 471 . 1 1 67 67 ASP HB2 H 1 2.768 0.006 . 2 . . . . A 91 ASP HB2 . 34064 1 472 . 1 1 67 67 ASP HB3 H 1 2.654 0.004 . 2 . . . . A 91 ASP HB3 . 34064 1 473 . 1 1 67 67 ASP N N 15 119.123 0.000 . 1 . . . . A 91 ASP N . 34064 1 474 . 1 1 68 68 ALA H H 1 8.315 0.003 . 1 . . . . A 92 ALA H . 34064 1 475 . 1 1 68 68 ALA HA H 1 3.894 0.004 . 1 . . . . A 92 ALA HA . 34064 1 476 . 1 1 68 68 ALA HB1 H 1 1.461 0.003 . 1 . . . . A 92 ALA HB1 . 34064 1 477 . 1 1 68 68 ALA HB2 H 1 1.461 0.003 . 1 . . . . A 92 ALA HB2 . 34064 1 478 . 1 1 68 68 ALA HB3 H 1 1.461 0.003 . 1 . . . . A 92 ALA HB3 . 34064 1 479 . 1 1 68 68 ALA N N 15 124.486 0.000 . 1 . . . . A 92 ALA N . 34064 1 480 . 1 1 69 69 LEU H H 1 7.671 0.003 . 1 . . . . A 93 LEU H . 34064 1 481 . 1 1 69 69 LEU HA H 1 4.060 0.003 . 1 . . . . A 93 LEU HA . 34064 1 482 . 1 1 69 69 LEU HB2 H 1 1.877 0.004 . 2 . . . . A 93 LEU HB2 . 34064 1 483 . 1 1 69 69 LEU HB3 H 1 1.677 0.007 . 2 . . . . A 93 LEU HB3 . 34064 1 484 . 1 1 69 69 LEU HG H 1 1.778 0.002 . 1 . . . . A 93 LEU HG . 34064 1 485 . 1 1 69 69 LEU HD11 H 1 0.955 0.005 . 1 . . . . A 93 LEU HD11 . 34064 1 486 . 1 1 69 69 LEU HD12 H 1 0.955 0.005 . 1 . . . . A 93 LEU HD12 . 34064 1 487 . 1 1 69 69 LEU HD13 H 1 0.955 0.005 . 1 . . . . A 93 LEU HD13 . 34064 1 488 . 1 1 69 69 LEU HD21 H 1 0.887 0.004 . 1 . . . . A 93 LEU HD21 . 34064 1 489 . 1 1 69 69 LEU HD22 H 1 0.887 0.004 . 1 . . . . A 93 LEU HD22 . 34064 1 490 . 1 1 69 69 LEU HD23 H 1 0.887 0.004 . 1 . . . . A 93 LEU HD23 . 34064 1 491 . 1 1 69 69 LEU N N 15 117.122 0.000 . 1 . . . . A 93 LEU N . 34064 1 492 . 1 1 70 70 LYS H H 1 7.440 0.002 . 1 . . . . A 94 LYS H . 34064 1 493 . 1 1 70 70 LYS HA H 1 4.243 0.003 . 1 . . . . A 94 LYS HA . 34064 1 494 . 1 1 70 70 LYS HB2 H 1 2.189 0.002 . 2 . . . . A 94 LYS HB2 . 34064 1 495 . 1 1 70 70 LYS HB3 H 1 1.767 0.005 . 2 . . . . A 94 LYS HB3 . 34064 1 496 . 1 1 70 70 LYS HG2 H 1 1.633 0.004 . 2 . . . . A 94 LYS HG2 . 34064 1 497 . 1 1 70 70 LYS HD2 H 1 1.742 0.003 . 2 . . . . A 94 LYS HD2 . 34064 1 498 . 1 1 70 70 LYS HD3 H 1 1.900 0.003 . 2 . . . . A 94 LYS HD3 . 34064 1 499 . 1 1 70 70 LYS HE2 H 1 3.064 0.003 . 2 . . . . A 94 LYS HE2 . 34064 1 500 . 1 1 70 70 LYS HE3 H 1 3.021 0.000 . 2 . . . . A 94 LYS HE3 . 34064 1 501 . 1 1 70 70 LYS N N 15 118.866 0.000 . 1 . . . . A 94 LYS N . 34064 1 502 . 1 1 71 71 ILE H H 1 8.370 0.003 . 1 . . . . A 95 ILE H . 34064 1 503 . 1 1 71 71 ILE HA H 1 3.923 0.003 . 1 . . . . A 95 ILE HA . 34064 1 504 . 1 1 71 71 ILE HB H 1 2.264 0.007 . 1 . . . . A 95 ILE HB . 34064 1 505 . 1 1 71 71 ILE HG12 H 1 1.186 0.003 . 2 . . . . A 95 ILE HG12 . 34064 1 506 . 1 1 71 71 ILE HG13 H 1 0.135 0.003 . 2 . . . . A 95 ILE HG13 . 34064 1 507 . 1 1 71 71 ILE HG21 H 1 1.591 0.004 . 1 . . . . A 95 ILE HG21 . 34064 1 508 . 1 1 71 71 ILE HG22 H 1 1.591 0.004 . 1 . . . . A 95 ILE HG22 . 34064 1 509 . 1 1 71 71 ILE HG23 H 1 1.591 0.004 . 1 . . . . A 95 ILE HG23 . 34064 1 510 . 1 1 71 71 ILE HD11 H 1 1.104 0.007 . 1 . . . . A 95 ILE HD11 . 34064 1 511 . 1 1 71 71 ILE HD12 H 1 1.104 0.007 . 1 . . . . A 95 ILE HD12 . 34064 1 512 . 1 1 71 71 ILE HD13 H 1 1.104 0.007 . 1 . . . . A 95 ILE HD13 . 34064 1 513 . 1 1 71 71 ILE N N 15 120.609 0.000 . 1 . . . . A 95 ILE N . 34064 1 514 . 1 1 72 72 GLY H H 1 8.836 0.001 . 1 . . . . A 96 GLY H . 34064 1 515 . 1 1 72 72 GLY HA2 H 1 4.062 0.002 . 1 . . . . A 96 GLY HA2 . 34064 1 516 . 1 1 72 72 GLY HA3 H 1 3.939 0.003 . 1 . . . . A 96 GLY HA3 . 34064 1 517 . 1 1 72 72 GLY N N 15 108.083 0.000 . 1 . . . . A 96 GLY N . 34064 1 518 . 1 1 73 73 GLU H H 1 8.951 0.003 . 1 . . . . A 97 GLU H . 34064 1 519 . 1 1 73 73 GLU HA H 1 4.044 0.004 . 1 . . . . A 97 GLU HA . 34064 1 520 . 1 1 73 73 GLU HB2 H 1 2.155 0.006 . 2 . . . . A 97 GLU HB2 . 34064 1 521 . 1 1 73 73 GLU HG2 H 1 2.581 0.005 . 1 . . . . A 97 GLU HG2 . 34064 1 522 . 1 1 73 73 GLU HG3 H 1 2.368 0.003 . 1 . . . . A 97 GLU HG3 . 34064 1 523 . 1 1 73 73 GLU N N 15 121.806 0.000 . 1 . . . . A 97 GLU N . 34064 1 524 . 1 1 74 74 TYR H H 1 8.172 0.003 . 1 . . . . A 98 TYR H . 34064 1 525 . 1 1 74 74 TYR HA H 1 4.106 0.001 . 1 . . . . A 98 TYR HA . 34064 1 526 . 1 1 74 74 TYR HB2 H 1 3.199 0.004 . 2 . . . . A 98 TYR HB2 . 34064 1 527 . 1 1 74 74 TYR HB3 H 1 3.092 0.004 . 2 . . . . A 98 TYR HB3 . 34064 1 528 . 1 1 74 74 TYR HD1 H 1 6.682 0.004 . 1 . . . . A 98 TYR HD1 . 34064 1 529 . 1 1 74 74 TYR HE1 H 1 6.162 0.003 . 1 . . . . A 98 TYR HE1 . 34064 1 530 . 1 1 74 74 TYR N N 15 121.075 0.000 . 1 . . . . A 98 TYR N . 34064 1 531 . 1 1 75 75 VAL H H 1 9.011 0.005 . 1 . . . . A 99 VAL H . 34064 1 532 . 1 1 75 75 VAL HA H 1 3.469 0.003 . 1 . . . . A 99 VAL HA . 34064 1 533 . 1 1 75 75 VAL HB H 1 2.644 0.004 . 1 . . . . A 99 VAL HB . 34064 1 534 . 1 1 75 75 VAL HG11 H 1 1.278 0.004 . 1 . . . . A 99 VAL HG11 . 34064 1 535 . 1 1 75 75 VAL HG12 H 1 1.278 0.004 . 1 . . . . A 99 VAL HG12 . 34064 1 536 . 1 1 75 75 VAL HG13 H 1 1.278 0.004 . 1 . . . . A 99 VAL HG13 . 34064 1 537 . 1 1 75 75 VAL HG21 H 1 1.677 0.003 . 1 . . . . A 99 VAL HG21 . 34064 1 538 . 1 1 75 75 VAL HG22 H 1 1.677 0.003 . 1 . . . . A 99 VAL HG22 . 34064 1 539 . 1 1 75 75 VAL HG23 H 1 1.677 0.003 . 1 . . . . A 99 VAL HG23 . 34064 1 540 . 1 1 75 75 VAL N N 15 122.113 0.000 . 1 . . . . A 99 VAL N . 34064 1 541 . 1 1 76 76 VAL H H 1 7.994 0.004 . 1 . . . . A 100 VAL H . 34064 1 542 . 1 1 76 76 VAL HA H 1 3.663 0.004 . 1 . . . . A 100 VAL HA . 34064 1 543 . 1 1 76 76 VAL HB H 1 2.079 0.004 . 1 . . . . A 100 VAL HB . 34064 1 544 . 1 1 76 76 VAL HG11 H 1 0.962 0.002 . 1 . . . . A 100 VAL HG11 . 34064 1 545 . 1 1 76 76 VAL HG12 H 1 0.962 0.002 . 1 . . . . A 100 VAL HG12 . 34064 1 546 . 1 1 76 76 VAL HG13 H 1 0.962 0.002 . 1 . . . . A 100 VAL HG13 . 34064 1 547 . 1 1 76 76 VAL HG21 H 1 1.015 0.003 . 1 . . . . A 100 VAL HG21 . 34064 1 548 . 1 1 76 76 VAL HG22 H 1 1.015 0.003 . 1 . . . . A 100 VAL HG22 . 34064 1 549 . 1 1 76 76 VAL HG23 H 1 1.015 0.003 . 1 . . . . A 100 VAL HG23 . 34064 1 550 . 1 1 76 76 VAL N N 15 116.847 0.000 . 1 . . . . A 100 VAL N . 34064 1 551 . 1 1 77 77 ALA H H 1 7.861 0.004 . 1 . . . . A 101 ALA H . 34064 1 552 . 1 1 77 77 ALA HB1 H 1 1.315 0.002 . 1 . . . . A 101 ALA HB1 . 34064 1 553 . 1 1 77 77 ALA HB2 H 1 1.315 0.002 . 1 . . . . A 101 ALA HB2 . 34064 1 554 . 1 1 77 77 ALA HB3 H 1 1.315 0.002 . 1 . . . . A 101 ALA HB3 . 34064 1 555 . 1 1 78 78 SER H H 1 7.245 0.006 . 1 . . . . A 102 SER H . 34064 1 556 . 1 1 78 78 SER HA H 1 3.768 0.002 . 1 . . . . A 102 SER HA . 34064 1 557 . 1 1 78 78 SER HB2 H 1 2.267 0.005 . 2 . . . . A 102 SER HB2 . 34064 1 558 . 1 1 78 78 SER HB3 H 1 1.594 0.003 . 2 . . . . A 102 SER HB3 . 34064 1 559 . 1 1 78 78 SER N N 15 109.532 0.000 . 1 . . . . A 102 SER N . 34064 1 560 . 1 1 79 79 PHE H H 1 6.873 0.005 . 1 . . . . A 103 PHE H . 34064 1 561 . 1 1 79 79 PHE HA H 1 5.390 0.003 . 1 . . . . A 103 PHE HA . 34064 1 562 . 1 1 79 79 PHE HB2 H 1 2.858 0.006 . 2 . . . . A 103 PHE HB2 . 34064 1 563 . 1 1 79 79 PHE HB3 H 1 2.787 0.007 . 2 . . . . A 103 PHE HB3 . 34064 1 564 . 1 1 79 79 PHE HD1 H 1 7.061 0.004 . 1 . . . . A 103 PHE HD1 . 34064 1 565 . 1 1 79 79 PHE HE1 H 1 6.502 0.005 . 1 . . . . A 103 PHE HE1 . 34064 1 566 . 1 1 79 79 PHE HZ H 1 6.533 0.002 . 1 . . . . A 103 PHE HZ . 34064 1 567 . 1 1 80 80 PRO HA H 1 4.644 0.001 . 1 . . . . A 104 PRO HA . 34064 1 568 . 1 1 80 80 PRO HB2 H 1 2.099 0.000 . 2 . . . . A 104 PRO HB2 . 34064 1 569 . 1 1 80 80 PRO HB3 H 1 2.140 0.000 . 2 . . . . A 104 PRO HB3 . 34064 1 570 . 1 1 80 80 PRO HG3 H 1 1.902 0.002 . 2 . . . . A 104 PRO HG3 . 34064 1 571 . 1 1 80 80 PRO HD2 H 1 3.479 0.005 . 2 . . . . A 104 PRO HD2 . 34064 1 572 . 1 1 80 80 PRO HD3 H 1 3.819 0.013 . 2 . . . . A 104 PRO HD3 . 34064 1 573 . 2 2 1 1 HEC HA62 H 1 4.152 0.004 . 2 . . . . A 238 HEC HA62 . 34064 1 574 . 2 2 1 1 HEC HA63 H 1 4.446 0.002 . 2 . . . . A 238 HEC HA63 . 34064 1 575 . 2 2 1 1 HEC HA72 H 1 2.693 0.002 . 2 . . . . A 238 HEC HA72 . 34064 1 576 . 2 2 1 1 HEC HA73 H 1 4.114 0.003 . 2 . . . . A 238 HEC HA73 . 34064 1 577 . 2 2 1 1 HEC HAM H 1 10.097 0.003 . 1 . . . . A 238 HEC HAM . 34064 1 578 . 2 2 1 1 HEC HB62 H 1 2.887 0.010 . 2 . . . . A 238 HEC HB62 . 34064 1 579 . 2 2 1 1 HEC HB63 H 1 3.241 0.004 . 2 . . . . A 238 HEC HB63 . 34064 1 580 . 2 2 1 1 HEC HB72 H 1 2.014 0.004 . 2 . . . . A 238 HEC HB72 . 34064 1 581 . 2 2 1 1 HEC HB73 H 1 3.119 0.002 . 2 . . . . A 238 HEC HB73 . 34064 1 582 . 2 2 1 1 HEC HBM H 1 9.417 0.002 . 1 . . . . A 238 HEC HBM . 34064 1 583 . 2 2 1 1 HEC HDM H 1 9.334 0.003 . 1 . . . . A 238 HEC HDM . 34064 1 584 . 2 2 1 1 HEC HGM H 1 9.588 0.002 . 1 . . . . A 238 HEC HGM . 34064 1 585 . 2 2 1 1 HEC HT2A H 1 5.479 0.003 . 1 . . . . A 238 HEC HT2A . 34064 1 586 . 2 2 1 1 HEC HT4A H 1 6.195 0.003 . 1 . . . . A 238 HEC HT4A . 34064 1 587 . 2 2 1 1 HEC HM1 H 1 3.638 0.002 . 1 . . . . A 238 HEC QM1 . 34064 1 588 . 2 2 1 1 HEC HM3 H 1 4.074 0.003 . 1 . . . . A 238 HEC QM3 . 34064 1 589 . 2 2 1 1 HEC HM5 H 1 3.197 0.004 . 1 . . . . A 238 HEC QM5 . 34064 1 590 . 2 2 1 1 HEC HM8 H 1 3.024 0.004 . 1 . . . . A 238 HEC QM8 . 34064 1 591 . 2 2 1 1 HEC HT2 H 1 1.141 0.003 . 1 . . . . A 238 HEC QT2 . 34064 1 592 . 2 2 1 1 HEC HT4 H 1 2.500 0.002 . 1 . . . . A 238 HEC QT4 . 34064 1 stop_ save_