################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16593 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16593 1 2 '3D 1H-15N NOESY' . . . 16593 1 6 '2D 1H-1H NOESY' . . . 16593 1 9 '2D 1H-1H NOESY' . . . 16593 1 10 '2D 1H-13C HSQC' . . . 16593 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 16593 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 LYS H H 1 8.05 0.01 . 1 . . . . 3 LYS HN . 16593 1 2 . 1 1 3 3 LYS HA H 1 4.73 0.01 . 1 . . . . 3 LYS HA . 16593 1 3 . 1 1 3 3 LYS HB2 H 1 1.99 0.01 . 2 . . . . 3 LYS HB2 . 16593 1 4 . 1 1 3 3 LYS HB3 H 1 1.99 0.01 . 2 . . . . 3 LYS HB3 . 16593 1 5 . 1 1 3 3 LYS HG2 H 1 1.62 0.01 . 2 . . . . 3 LYS HG2 . 16593 1 6 . 1 1 3 3 LYS HG3 H 1 1.54 0.01 . 2 . . . . 3 LYS HG3 . 16593 1 7 . 1 1 3 3 LYS N N 15 119.8 0.1 . 1 . . . . 3 LYS N . 16593 1 8 . 1 1 4 4 ILE H H 1 8.48 0.01 . 1 . . . . 4 ILE HN . 16593 1 9 . 1 1 4 4 ILE HA H 1 4.70 0.01 . 1 . . . . 4 ILE HA . 16593 1 10 . 1 1 4 4 ILE HB H 1 1.28 0.01 . 1 . . . . 4 ILE HB . 16593 1 11 . 1 1 4 4 ILE HD11 H 1 -0.12 0.01 . 1 . . . . 4 ILE HD1 . 16593 1 12 . 1 1 4 4 ILE HD12 H 1 -0.12 0.01 . 1 . . . . 4 ILE HD1 . 16593 1 13 . 1 1 4 4 ILE HD13 H 1 -0.12 0.01 . 1 . . . . 4 ILE HD1 . 16593 1 14 . 1 1 4 4 ILE HG12 H 1 1.11 0.01 . 2 . . . . 4 ILE HG12 . 16593 1 15 . 1 1 4 4 ILE HG13 H 1 0.55 0.01 . 2 . . . . 4 ILE HG13 . 16593 1 16 . 1 1 4 4 ILE HG21 H 1 0.35 0.01 . 1 . . . . 4 ILE HG2 . 16593 1 17 . 1 1 4 4 ILE HG22 H 1 0.35 0.01 . 1 . . . . 4 ILE HG2 . 16593 1 18 . 1 1 4 4 ILE HG23 H 1 0.35 0.01 . 1 . . . . 4 ILE HG2 . 16593 1 19 . 1 1 4 4 ILE CD1 C 13 14.5 0.1 . 1 . . . . 4 ILE CD1 . 16593 1 20 . 1 1 4 4 ILE CG2 C 13 16.7 0.1 . 1 . . . . 4 ILE CG2 . 16593 1 21 . 1 1 4 4 ILE N N 15 119.6 0.1 . 1 . . . . 4 ILE N . 16593 1 22 . 1 1 5 5 GLY H H 1 8.06 0.01 . 1 . . . . 5 GLY HN . 16593 1 23 . 1 1 5 5 GLY HA2 H 1 1.98 0.01 . 2 . . . . 5 GLY HA1 . 16593 1 24 . 1 1 5 5 GLY HA3 H 1 4.07 0.01 . 2 . . . . 5 GLY HA2 . 16593 1 25 . 1 1 5 5 GLY N N 15 117.2 0.1 . 1 . . . . 5 GLY N . 16593 1 26 . 1 1 6 6 LEU H H 1 8.70 0.01 . 1 . . . . 6 LEU HN . 16593 1 27 . 1 1 6 6 LEU HA H 1 5.94 0.01 . 1 . . . . 6 LEU HA . 16593 1 28 . 1 1 6 6 LEU HB2 H 1 1.90 0.01 . 2 . . . . 6 LEU HB2 . 16593 1 29 . 1 1 6 6 LEU HB3 H 1 1.90 0.01 . 2 . . . . 6 LEU HB3 . 16593 1 30 . 1 1 6 6 LEU HD11 H 1 1.02 0.01 . 2 . . . . 6 LEU HD1 . 16593 1 31 . 1 1 6 6 LEU HD12 H 1 1.02 0.01 . 2 . . . . 6 LEU HD1 . 16593 1 32 . 1 1 6 6 LEU HD13 H 1 1.02 0.01 . 2 . . . . 6 LEU HD1 . 16593 1 33 . 1 1 6 6 LEU HD21 H 1 1.11 0.01 . 2 . . . . 6 LEU HD2 . 16593 1 34 . 1 1 6 6 LEU HD22 H 1 1.11 0.01 . 2 . . . . 6 LEU HD2 . 16593 1 35 . 1 1 6 6 LEU HD23 H 1 1.11 0.01 . 2 . . . . 6 LEU HD2 . 16593 1 36 . 1 1 6 6 LEU N N 15 130.2 0.1 . 1 . . . . 6 LEU N . 16593 1 37 . 1 1 7 7 PHE H H 1 9.41 0.01 . 1 . . . . 7 PHE HN . 16593 1 38 . 1 1 7 7 PHE HA H 1 5.53 0.01 . 1 . . . . 7 PHE HA . 16593 1 39 . 1 1 7 7 PHE HB2 H 1 3.07 0.01 . 2 . . . . 7 PHE HB2 . 16593 1 40 . 1 1 7 7 PHE HB3 H 1 2.68 0.01 . 2 . . . . 7 PHE HB3 . 16593 1 41 . 1 1 7 7 PHE HD1 H 1 6.91 0.01 . 3 . . . . 7 PHE HD1 . 16593 1 42 . 1 1 7 7 PHE HD2 H 1 6.91 0.01 . 3 . . . . 7 PHE HD2 . 16593 1 43 . 1 1 7 7 PHE HE1 H 1 6.68 0.01 . 3 . . . . 7 PHE HE1 . 16593 1 44 . 1 1 7 7 PHE HE2 H 1 6.68 0.01 . 3 . . . . 7 PHE HE2 . 16593 1 45 . 1 1 7 7 PHE HZ H 1 6.50 0.01 . 1 . . . . 7 PHE HZ . 16593 1 46 . 1 1 7 7 PHE CA C 13 56.2 0.1 . 1 . . . . 7 PHE CA . 16593 1 47 . 1 1 7 7 PHE CE1 C 13 130.6 0.1 . 1 . . . . 7 PHE CE1 . 16593 1 48 . 1 1 7 7 PHE N N 15 128.3 0.1 . 1 . . . . 7 PHE N . 16593 1 49 . 1 1 8 8 TYR H H 1 8.53 0.01 . 1 . . . . 8 TYR HN . 16593 1 50 . 1 1 8 8 TYR HA H 1 6.48 0.01 . 1 . . . . 8 TYR HA . 16593 1 51 . 1 1 8 8 TYR HD1 H 1 6.85 0.01 . 3 . . . . 8 TYR HD1 . 16593 1 52 . 1 1 8 8 TYR HD2 H 1 6.85 0.01 . 3 . . . . 8 TYR HD2 . 16593 1 53 . 1 1 8 8 TYR HE1 H 1 6.53 0.01 . 3 . . . . 8 TYR HE1 . 16593 1 54 . 1 1 8 8 TYR HE2 H 1 6.53 0.01 . 3 . . . . 8 TYR HE2 . 16593 1 55 . 1 1 8 8 TYR CE1 C 13 117.2 0.1 . 1 . . . . 8 TYR CE1 . 16593 1 56 . 1 1 18 18 VAL H H 1 7.58 0.01 . 1 . . . . 18 VAL HN . 16593 1 57 . 1 1 18 18 VAL HA H 1 3.50 0.01 . 1 . . . . 18 VAL HA . 16593 1 58 . 1 1 18 18 VAL HB H 1 2.10 0.01 . 1 . . . . 18 VAL HB . 16593 1 59 . 1 1 18 18 VAL HG11 H 1 0.94 0.01 . 2 . . . . 18 VAL HG1 . 16593 1 60 . 1 1 18 18 VAL HG12 H 1 0.94 0.01 . 2 . . . . 18 VAL HG1 . 16593 1 61 . 1 1 18 18 VAL HG13 H 1 0.94 0.01 . 2 . . . . 18 VAL HG1 . 16593 1 62 . 1 1 18 18 VAL HG21 H 1 0.55 0.01 . 2 . . . . 18 VAL HG2 . 16593 1 63 . 1 1 18 18 VAL HG22 H 1 0.55 0.01 . 2 . . . . 18 VAL HG2 . 16593 1 64 . 1 1 18 18 VAL HG23 H 1 0.55 0.01 . 2 . . . . 18 VAL HG2 . 16593 1 65 . 1 1 18 18 VAL CA C 13 66.3 0.1 . 1 . . . . 18 VAL CA . 16593 1 66 . 1 1 19 19 ALA HA H 1 3.83 0.01 . 1 . . . . 19 ALA HA . 16593 1 67 . 1 1 20 20 GLU H H 1 7.88 0.01 . 1 . . . . 20 GLU HN . 16593 1 68 . 1 1 20 20 GLU HA H 1 3.66 0.01 . 1 . . . . 20 GLU HA . 16593 1 69 . 1 1 20 20 GLU HB2 H 1 2.13 0.01 . 2 . . . . 20 GLU HB2 . 16593 1 70 . 1 1 20 20 GLU HB3 H 1 1.99 0.01 . 2 . . . . 20 GLU HB3 . 16593 1 71 . 1 1 20 20 GLU HG2 H 1 2.47 0.01 . 2 . . . . 20 GLU HG2 . 16593 1 72 . 1 1 20 20 GLU HG3 H 1 2.47 0.01 . 2 . . . . 20 GLU HG3 . 16593 1 73 . 1 1 20 20 GLU N N 15 116.5 0.1 . 1 . . . . 20 GLU N . 16593 1 74 . 1 1 21 21 ILE H H 1 7.43 0.01 . 1 . . . . 21 ILE HN . 16593 1 75 . 1 1 21 21 ILE HA H 1 3.85 0.01 . 1 . . . . 21 ILE HA . 16593 1 76 . 1 1 21 21 ILE HB H 1 1.94 0.01 . 1 . . . . 21 ILE HB . 16593 1 77 . 1 1 21 21 ILE HD11 H 1 0.82 0.01 . 1 . . . . 21 ILE HD1 . 16593 1 78 . 1 1 21 21 ILE HD12 H 1 0.82 0.01 . 1 . . . . 21 ILE HD1 . 16593 1 79 . 1 1 21 21 ILE HD13 H 1 0.82 0.01 . 1 . . . . 21 ILE HD1 . 16593 1 80 . 1 1 21 21 ILE N N 15 120.0 0.1 . 1 . . . . 21 ILE N . 16593 1 81 . 1 1 22 22 ILE H H 1 8.19 0.01 . 1 . . . . 22 ILE HN . 16593 1 82 . 1 1 22 22 ILE HA H 1 3.30 0.01 . 1 . . . . 22 ILE HA . 16593 1 83 . 1 1 22 22 ILE HB H 1 1.82 0.01 . 1 . . . . 22 ILE HB . 16593 1 84 . 1 1 22 22 ILE HD11 H 1 0.28 0.01 . 1 . . . . 22 ILE HD1 . 16593 1 85 . 1 1 22 22 ILE HD12 H 1 0.28 0.01 . 1 . . . . 22 ILE HD1 . 16593 1 86 . 1 1 22 22 ILE HD13 H 1 0.28 0.01 . 1 . . . . 22 ILE HD1 . 16593 1 87 . 1 1 22 22 ILE HG13 H 1 0.58 0.01 . 2 . . . . 22 ILE HG13 . 16593 1 88 . 1 1 22 22 ILE HG21 H 1 0.93 0.01 . 1 . . . . 22 ILE HG2 . 16593 1 89 . 1 1 22 22 ILE HG22 H 1 0.93 0.01 . 1 . . . . 22 ILE HG2 . 16593 1 90 . 1 1 22 22 ILE HG23 H 1 0.93 0.01 . 1 . . . . 22 ILE HG2 . 16593 1 91 . 1 1 22 22 ILE CA C 13 66.5 0.1 . 1 . . . . 22 ILE CA . 16593 1 92 . 1 1 22 22 ILE CD1 C 13 14.8 0.1 . 1 . . . . 22 ILE CD1 . 16593 1 93 . 1 1 22 22 ILE N N 15 120.2 0.1 . 1 . . . . 22 ILE N . 16593 1 94 . 1 1 23 23 ARG H H 1 8.41 0.01 . 1 . . . . 23 ARG HN . 16593 1 95 . 1 1 23 23 ARG HA H 1 3.74 0.01 . 1 . . . . 23 ARG HA . 16593 1 96 . 1 1 23 23 ARG HB2 H 1 2.37 0.01 . 2 . . . . 23 ARG HB2 . 16593 1 97 . 1 1 24 24 ASP H H 1 7.97 0.01 . 1 . . . . 24 ASP HN . 16593 1 98 . 1 1 24 24 ASP HA H 1 4.45 0.01 . 1 . . . . 24 ASP HA . 16593 1 99 . 1 1 24 24 ASP HB2 H 1 2.86 0.01 . 2 . . . . 24 ASP HB2 . 16593 1 100 . 1 1 24 24 ASP HB3 H 1 2.86 0.01 . 2 . . . . 24 ASP HB3 . 16593 1 101 . 1 1 24 24 ASP N N 15 120.0 0.1 . 1 . . . . 24 ASP N . 16593 1 102 . 1 1 25 25 GLU H H 1 8.45 0.01 . 1 . . . . 25 GLU HN . 16593 1 103 . 1 1 25 25 GLU HA H 1 4.07 0.01 . 1 . . . . 25 GLU HA . 16593 1 104 . 1 1 25 25 GLU HB2 H 1 2.03 0.01 . 2 . . . . 25 GLU HB2 . 16593 1 105 . 1 1 25 25 GLU HB3 H 1 1.88 0.01 . 2 . . . . 25 GLU HB3 . 16593 1 106 . 1 1 25 25 GLU HG2 H 1 2.26 0.01 . 2 . . . . 25 GLU HG2 . 16593 1 107 . 1 1 25 25 GLU HG3 H 1 2.26 0.01 . 2 . . . . 25 GLU HG3 . 16593 1 108 . 1 1 25 25 GLU N N 15 120.7 0.1 . 1 . . . . 25 GLU N . 16593 1 109 . 1 1 26 26 PHE H H 1 8.02 0.01 . 1 . . . . 26 PHE HN . 16593 1 110 . 1 1 26 26 PHE HA H 1 4.05 0.01 . 1 . . . . 26 PHE HA . 16593 1 111 . 1 1 26 26 PHE HB2 H 1 2.99 0.01 . 2 . . . . 26 PHE HB2 . 16593 1 112 . 1 1 26 26 PHE HB3 H 1 2.99 0.01 . 2 . . . . 26 PHE HB3 . 16593 1 113 . 1 1 26 26 PHE HD1 H 1 7.28 0.01 . 3 . . . . 26 PHE HD1 . 16593 1 114 . 1 1 26 26 PHE HD2 H 1 7.28 0.01 . 3 . . . . 26 PHE HD2 . 16593 1 115 . 1 1 26 26 PHE HE1 H 1 6.85 0.01 . 3 . . . . 26 PHE HE1 . 16593 1 116 . 1 1 26 26 PHE HE2 H 1 6.85 0.01 . 3 . . . . 26 PHE HE2 . 16593 1 117 . 1 1 26 26 PHE N N 15 117.4 0.1 . 1 . . . . 26 PHE N . 16593 1 118 . 1 1 27 27 GLY H H 1 8.00 0.01 . 1 . . . . 27 GLY HN . 16593 1 119 . 1 1 27 27 GLY HA2 H 1 3.84 0.01 . 2 . . . . 27 GLY HA1 . 16593 1 120 . 1 1 27 27 GLY HA3 H 1 4.44 0.01 . 2 . . . . 27 GLY HA2 . 16593 1 121 . 1 1 27 27 GLY N N 15 106.2 0.1 . 1 . . . . 27 GLY N . 16593 1 122 . 1 1 28 28 ASN H H 1 8.93 0.01 . 1 . . . . 28 ASN HN . 16593 1 123 . 1 1 28 28 ASN HA H 1 4.37 0.01 . 1 . . . . 28 ASN HA . 16593 1 124 . 1 1 28 28 ASN HB2 H 1 2.86 0.01 . 2 . . . . 28 ASN HB2 . 16593 1 125 . 1 1 28 28 ASN HB3 H 1 2.86 0.01 . 2 . . . . 28 ASN HB3 . 16593 1 126 . 1 1 28 28 ASN HD21 H 1 7.68 0.01 . 2 . . . . 28 ASN HD21 . 16593 1 127 . 1 1 28 28 ASN HD22 H 1 6.98 0.01 . 2 . . . . 28 ASN HD22 . 16593 1 128 . 1 1 28 28 ASN ND2 N 15 113.5 0.1 . 1 . . . . 28 ASN ND2 . 16593 1 129 . 1 1 29 29 ASP H H 1 8.90 0.01 . 1 . . . . 29 ASP HN . 16593 1 130 . 1 1 29 29 ASP HA H 1 4.53 0.01 . 1 . . . . 29 ASP HA . 16593 1 131 . 1 1 29 29 ASP HB2 H 1 2.77 0.01 . 2 . . . . 29 ASP HB2 . 16593 1 132 . 1 1 29 29 ASP HB3 H 1 2.71 0.01 . 2 . . . . 29 ASP HB3 . 16593 1 133 . 1 1 30 30 VAL H H 1 7.70 0.01 . 1 . . . . 30 VAL HN . 16593 1 134 . 1 1 30 30 VAL HA H 1 4.08 0.01 . 1 . . . . 30 VAL HA . 16593 1 135 . 1 1 30 30 VAL HB H 1 2.06 0.01 . 1 . . . . 30 VAL HB . 16593 1 136 . 1 1 30 30 VAL HG11 H 1 1.02 0.01 . 2 . . . . 30 VAL HG1 . 16593 1 137 . 1 1 30 30 VAL HG12 H 1 1.02 0.01 . 2 . . . . 30 VAL HG1 . 16593 1 138 . 1 1 30 30 VAL HG13 H 1 1.02 0.01 . 2 . . . . 30 VAL HG1 . 16593 1 139 . 1 1 30 30 VAL HG21 H 1 0.87 0.01 . 2 . . . . 30 VAL HG2 . 16593 1 140 . 1 1 30 30 VAL HG22 H 1 0.87 0.01 . 2 . . . . 30 VAL HG2 . 16593 1 141 . 1 1 30 30 VAL HG23 H 1 0.87 0.01 . 2 . . . . 30 VAL HG2 . 16593 1 142 . 1 1 30 30 VAL N N 15 118.3 0.1 . 1 . . . . 30 VAL N . 16593 1 143 . 1 1 31 31 VAL H H 1 7.82 0.01 . 1 . . . . 31 VAL HN . 16593 1 144 . 1 1 31 31 VAL HA H 1 4.80 0.01 . 1 . . . . 31 VAL HA . 16593 1 145 . 1 1 31 31 VAL HB H 1 1.79 0.01 . 1 . . . . 31 VAL HB . 16593 1 146 . 1 1 31 31 VAL HG11 H 1 0.59 0.01 . 2 . . . . 31 VAL HG1 . 16593 1 147 . 1 1 31 31 VAL HG12 H 1 0.59 0.01 . 2 . . . . 31 VAL HG1 . 16593 1 148 . 1 1 31 31 VAL HG13 H 1 0.59 0.01 . 2 . . . . 31 VAL HG1 . 16593 1 149 . 1 1 31 31 VAL HG21 H 1 0.62 0.01 . 2 . . . . 31 VAL HG2 . 16593 1 150 . 1 1 31 31 VAL HG22 H 1 0.62 0.01 . 2 . . . . 31 VAL HG2 . 16593 1 151 . 1 1 31 31 VAL HG23 H 1 0.62 0.01 . 2 . . . . 31 VAL HG2 . 16593 1 152 . 1 1 32 32 THR H H 1 8.54 0.01 . 1 . . . . 32 THR HN . 16593 1 153 . 1 1 32 32 THR HA H 1 4.37 0.01 . 1 . . . . 32 THR HA . 16593 1 154 . 1 1 32 32 THR HB H 1 4.11 0.01 . 1 . . . . 32 THR HB . 16593 1 155 . 1 1 32 32 THR HG21 H 1 0.89 0.01 . 1 . . . . 32 THR HG2 . 16593 1 156 . 1 1 32 32 THR HG22 H 1 0.89 0.01 . 1 . . . . 32 THR HG2 . 16593 1 157 . 1 1 32 32 THR HG23 H 1 0.89 0.01 . 1 . . . . 32 THR HG2 . 16593 1 158 . 1 1 32 32 THR N N 15 123.8 0.1 . 1 . . . . 32 THR N . 16593 1 159 . 1 1 33 33 LEU H H 1 8.58 0.01 . 1 . . . . 33 LEU HN . 16593 1 160 . 1 1 33 33 LEU HA H 1 4.72 0.01 . 1 . . . . 33 LEU HA . 16593 1 161 . 1 1 33 33 LEU HB2 H 1 1.80 0.01 . 2 . . . . 33 LEU HB2 . 16593 1 162 . 1 1 33 33 LEU HB3 H 1 1.64 0.01 . 2 . . . . 33 LEU HB3 . 16593 1 163 . 1 1 33 33 LEU HD11 H 1 0.89 0.01 . 2 . . . . 33 LEU HD1 . 16593 1 164 . 1 1 33 33 LEU HD12 H 1 0.89 0.01 . 2 . . . . 33 LEU HD1 . 16593 1 165 . 1 1 33 33 LEU HD13 H 1 0.89 0.01 . 2 . . . . 33 LEU HD1 . 16593 1 166 . 1 1 33 33 LEU HD21 H 1 0.77 0.01 . 2 . . . . 33 LEU HD2 . 16593 1 167 . 1 1 33 33 LEU HD22 H 1 0.77 0.01 . 2 . . . . 33 LEU HD2 . 16593 1 168 . 1 1 33 33 LEU HD23 H 1 0.77 0.01 . 2 . . . . 33 LEU HD2 . 16593 1 169 . 1 1 33 33 LEU HG H 1 1.53 0.01 . 1 . . . . 33 LEU HG . 16593 1 170 . 1 1 33 33 LEU N N 15 127.4 0.1 . 1 . . . . 33 LEU N . 16593 1 171 . 1 1 34 34 HIS H H 1 9.18 0.01 . 1 . . . . 34 HIS HN . 16593 1 172 . 1 1 34 34 HIS HA H 1 4.33 0.01 . 1 . . . . 34 HIS HA . 16593 1 173 . 1 1 34 34 HIS HD2 H 1 5.83 0.01 . 1 . . . . 34 HIS HD2 . 16593 1 174 . 1 1 34 34 HIS HE1 H 1 7.84 0.01 . 1 . . . . 34 HIS HE1 . 16593 1 175 . 1 1 34 34 HIS CE1 C 13 136.7 0.1 . 1 . . . . 34 HIS CE1 . 16593 1 176 . 1 1 34 34 HIS N N 15 121.5 0.1 . 1 . . . . 34 HIS N . 16593 1 177 . 1 1 35 35 ASP H H 1 8.18 0.01 . 1 . . . . 35 ASP HN . 16593 1 178 . 1 1 35 35 ASP HA H 1 3.72 0.01 . 1 . . . . 35 ASP HA . 16593 1 179 . 1 1 35 35 ASP HB2 H 1 2.63 0.01 . 2 . . . . 35 ASP HB2 . 16593 1 180 . 1 1 35 35 ASP HB3 H 1 2.38 0.01 . 2 . . . . 35 ASP HB3 . 16593 1 181 . 1 1 35 35 ASP N N 15 125.2 0.1 . 1 . . . . 35 ASP N . 16593 1 182 . 1 1 36 36 VAL H H 1 8.25 0.01 . 1 . . . . 36 VAL HN . 16593 1 183 . 1 1 36 36 VAL HA H 1 4.18 0.01 . 1 . . . . 36 VAL HA . 16593 1 184 . 1 1 36 36 VAL HB H 1 2.15 0.01 . 1 . . . . 36 VAL HB . 16593 1 185 . 1 1 36 36 VAL HG11 H 1 0.93 0.01 . 2 . . . . 36 VAL HG1 . 16593 1 186 . 1 1 36 36 VAL HG12 H 1 0.93 0.01 . 2 . . . . 36 VAL HG1 . 16593 1 187 . 1 1 36 36 VAL HG13 H 1 0.93 0.01 . 2 . . . . 36 VAL HG1 . 16593 1 188 . 1 1 36 36 VAL HG21 H 1 0.93 0.01 . 2 . . . . 36 VAL HG2 . 16593 1 189 . 1 1 36 36 VAL HG22 H 1 0.93 0.01 . 2 . . . . 36 VAL HG2 . 16593 1 190 . 1 1 36 36 VAL HG23 H 1 0.93 0.01 . 2 . . . . 36 VAL HG2 . 16593 1 191 . 1 1 36 36 VAL N N 15 122.0 0.1 . 1 . . . . 36 VAL N . 16593 1 192 . 1 1 37 37 SER H H 1 8.71 0.01 . 1 . . . . 37 SER HN . 16593 1 193 . 1 1 37 37 SER HA H 1 4.27 0.01 . 1 . . . . 37 SER HA . 16593 1 194 . 1 1 37 37 SER HB2 H 1 3.93 0.01 . 2 . . . . 37 SER HB2 . 16593 1 195 . 1 1 37 37 SER HB3 H 1 3.93 0.01 . 2 . . . . 37 SER HB3 . 16593 1 196 . 1 1 37 37 SER N N 15 116.8 0.1 . 1 . . . . 37 SER N . 16593 1 197 . 1 1 38 38 GLN H H 1 7.68 0.01 . 1 . . . . 38 GLN HN . 16593 1 198 . 1 1 38 38 GLN HA H 1 4.56 0.01 . 1 . . . . 38 GLN HA . 16593 1 199 . 1 1 38 38 GLN HB2 H 1 1.86 0.01 . 2 . . . . 38 GLN HB2 . 16593 1 200 . 1 1 38 38 GLN HB3 H 1 1.86 0.01 . 2 . . . . 38 GLN HB3 . 16593 1 201 . 1 1 38 38 GLN HE21 H 1 7.49 0.01 . 2 . . . . 38 GLN HE21 . 16593 1 202 . 1 1 38 38 GLN HE22 H 1 6.82 0.01 . 2 . . . . 38 GLN HE22 . 16593 1 203 . 1 1 38 38 GLN HG2 H 1 2.31 0.01 . 2 . . . . 38 GLN HG2 . 16593 1 204 . 1 1 38 38 GLN HG3 H 1 2.31 0.01 . 2 . . . . 38 GLN HG3 . 16593 1 205 . 1 1 38 38 GLN N N 15 119.1 0.1 . 1 . . . . 38 GLN N . 16593 1 206 . 1 1 38 38 GLN NE2 N 15 112.6 0.1 . 1 . . . . 38 GLN NE2 . 16593 1 207 . 1 1 39 39 ALA H H 1 7.36 0.01 . 1 . . . . 39 ALA HN . 16593 1 208 . 1 1 39 39 ALA HA H 1 4.58 0.01 . 1 . . . . 39 ALA HA . 16593 1 209 . 1 1 39 39 ALA HB1 H 1 1.43 0.01 . 1 . . . . 39 ALA HB . 16593 1 210 . 1 1 39 39 ALA HB2 H 1 1.43 0.01 . 1 . . . . 39 ALA HB . 16593 1 211 . 1 1 39 39 ALA HB3 H 1 1.43 0.01 . 1 . . . . 39 ALA HB . 16593 1 212 . 1 1 39 39 ALA CB C 13 20.6 0.1 . 1 . . . . 39 ALA CB . 16593 1 213 . 1 1 39 39 ALA N N 15 122.6 0.1 . 1 . . . . 39 ALA N . 16593 1 214 . 1 1 40 40 GLU H H 1 8.56 0.01 . 1 . . . . 40 GLU HN . 16593 1 215 . 1 1 40 40 GLU HA H 1 4.64 0.01 . 1 . . . . 40 GLU HA . 16593 1 216 . 1 1 40 40 GLU HB2 H 1 2.14 0.01 . 2 . . . . 40 GLU HB2 . 16593 1 217 . 1 1 40 40 GLU HB3 H 1 1.79 0.01 . 2 . . . . 40 GLU HB3 . 16593 1 218 . 1 1 40 40 GLU HG2 H 1 2.34 0.01 . 2 . . . . 40 GLU HG2 . 16593 1 219 . 1 1 40 40 GLU HG3 H 1 2.28 0.01 . 2 . . . . 40 GLU HG3 . 16593 1 220 . 1 1 41 41 VAL H H 1 9.15 0.01 . 1 . . . . 41 VAL HN . 16593 1 221 . 1 1 41 41 VAL HA H 1 3.63 0.01 . 1 . . . . 41 VAL HA . 16593 1 222 . 1 1 41 41 VAL HB H 1 2.08 0.01 . 1 . . . . 41 VAL HB . 16593 1 223 . 1 1 41 41 VAL HG11 H 1 0.93 0.01 . 2 . . . . 41 VAL HG1 . 16593 1 224 . 1 1 41 41 VAL HG12 H 1 0.93 0.01 . 2 . . . . 41 VAL HG1 . 16593 1 225 . 1 1 41 41 VAL HG13 H 1 0.93 0.01 . 2 . . . . 41 VAL HG1 . 16593 1 226 . 1 1 41 41 VAL HG21 H 1 0.93 0.01 . 2 . . . . 41 VAL HG2 . 16593 1 227 . 1 1 41 41 VAL HG22 H 1 0.93 0.01 . 2 . . . . 41 VAL HG2 . 16593 1 228 . 1 1 41 41 VAL HG23 H 1 0.93 0.01 . 2 . . . . 41 VAL HG2 . 16593 1 229 . 1 1 41 41 VAL CA C 13 65.8 0.1 . 1 . . . . 41 VAL CA . 16593 1 230 . 1 1 41 41 VAL N N 15 122.6 0.1 . 1 . . . . 41 VAL N . 16593 1 231 . 1 1 42 42 THR H H 1 7.29 0.01 . 1 . . . . 42 THR HN . 16593 1 232 . 1 1 42 42 THR HA H 1 3.87 0.01 . 1 . . . . 42 THR HA . 16593 1 233 . 1 1 42 42 THR HG21 H 1 1.21 0.01 . 1 . . . . 42 THR HG2 . 16593 1 234 . 1 1 42 42 THR HG22 H 1 1.21 0.01 . 1 . . . . 42 THR HG2 . 16593 1 235 . 1 1 42 42 THR HG23 H 1 1.21 0.01 . 1 . . . . 42 THR HG2 . 16593 1 236 . 1 1 42 42 THR N N 15 108.0 0.1 . 1 . . . . 42 THR N . 16593 1 237 . 1 1 43 43 ASP H H 1 8.12 0.01 . 1 . . . . 43 ASP HN . 16593 1 238 . 1 1 43 43 ASP HA H 1 4.44 0.01 . 1 . . . . 43 ASP HA . 16593 1 239 . 1 1 43 43 ASP HB2 H 1 2.96 0.01 . 2 . . . . 43 ASP HB2 . 16593 1 240 . 1 1 43 43 ASP HB3 H 1 2.59 0.01 . 2 . . . . 43 ASP HB3 . 16593 1 241 . 1 1 43 43 ASP N N 15 123.0 0.1 . 1 . . . . 43 ASP N . 16593 1 242 . 1 1 44 44 LEU H H 1 7.35 0.01 . 1 . . . . 44 LEU HN . 16593 1 243 . 1 1 44 44 LEU HA H 1 3.84 0.01 . 1 . . . . 44 LEU HA . 16593 1 244 . 1 1 44 44 LEU HB2 H 1 1.65 0.01 . 2 . . . . 44 LEU HB2 . 16593 1 245 . 1 1 44 44 LEU HD11 H 1 0.66 0.01 . 2 . . . . 44 LEU HD1 . 16593 1 246 . 1 1 44 44 LEU HD12 H 1 0.66 0.01 . 2 . . . . 44 LEU HD1 . 16593 1 247 . 1 1 44 44 LEU HD13 H 1 0.66 0.01 . 2 . . . . 44 LEU HD1 . 16593 1 248 . 1 1 44 44 LEU HD21 H 1 0.07 0.01 . 2 . . . . 44 LEU HD2 . 16593 1 249 . 1 1 44 44 LEU HD22 H 1 0.07 0.01 . 2 . . . . 44 LEU HD2 . 16593 1 250 . 1 1 44 44 LEU HD23 H 1 0.07 0.01 . 2 . . . . 44 LEU HD2 . 16593 1 251 . 1 1 44 44 LEU HG H 1 1.13 0.01 . 1 . . . . 44 LEU HG . 16593 1 252 . 1 1 44 44 LEU CD2 C 13 23.2 0.1 . 1 . . . . 44 LEU CD2 . 16593 1 253 . 1 1 45 45 ASN H H 1 7.43 0.01 . 1 . . . . 45 ASN HN . 16593 1 254 . 1 1 45 45 ASN HA H 1 4.16 0.01 . 1 . . . . 45 ASN HA . 16593 1 255 . 1 1 45 45 ASN HB2 H 1 2.77 0.01 . 2 . . . . 45 ASN HB2 . 16593 1 256 . 1 1 45 45 ASN HB3 H 1 1.22 0.01 . 2 . . . . 45 ASN HB3 . 16593 1 257 . 1 1 45 45 ASN HD21 H 1 7.64 0.01 . 2 . . . . 45 ASN HD21 . 16593 1 258 . 1 1 45 45 ASN HD22 H 1 7.07 0.01 . 2 . . . . 45 ASN HD22 . 16593 1 259 . 1 1 45 45 ASN N N 15 112.6 0.1 . 1 . . . . 45 ASN N . 16593 1 260 . 1 1 45 45 ASN ND2 N 15 113.2 0.1 . 1 . . . . 45 ASN ND2 . 16593 1 261 . 1 1 46 46 ASP H H 1 7.37 0.01 . 1 . . . . 46 ASP HN . 16593 1 262 . 1 1 46 46 ASP HA H 1 4.30 0.01 . 1 . . . . 46 ASP HA . 16593 1 263 . 1 1 46 46 ASP HB2 H 1 2.31 0.01 . 2 . . . . 46 ASP HB2 . 16593 1 264 . 1 1 46 46 ASP HB3 H 1 2.14 0.01 . 2 . . . . 46 ASP HB3 . 16593 1 265 . 1 1 46 46 ASP N N 15 116.9 0.1 . 1 . . . . 46 ASP N . 16593 1 266 . 1 1 47 47 TYR H H 1 6.77 0.01 . 1 . . . . 47 TYR HN . 16593 1 267 . 1 1 47 47 TYR HA H 1 4.67 0.01 . 1 . . . . 47 TYR HA . 16593 1 268 . 1 1 47 47 TYR HB2 H 1 3.31 0.01 . 2 . . . . 47 TYR HB2 . 16593 1 269 . 1 1 47 47 TYR HB3 H 1 2.54 0.01 . 2 . . . . 47 TYR HB3 . 16593 1 270 . 1 1 47 47 TYR HD1 H 1 7.05 0.01 . 3 . . . . 47 TYR HD1 . 16593 1 271 . 1 1 47 47 TYR HD2 H 1 7.05 0.01 . 3 . . . . 47 TYR HD2 . 16593 1 272 . 1 1 47 47 TYR HE1 H 1 6.80 0.01 . 3 . . . . 47 TYR HE1 . 16593 1 273 . 1 1 47 47 TYR HE2 H 1 6.80 0.01 . 3 . . . . 47 TYR HE2 . 16593 1 274 . 1 1 47 47 TYR CE1 C 13 119.6 0.1 . 1 . . . . 47 TYR CE1 . 16593 1 275 . 1 1 47 47 TYR N N 15 115.4 0.1 . 1 . . . . 47 TYR N . 16593 1 276 . 1 1 48 48 GLN H H 1 9.42 0.01 . 1 . . . . 48 GLN HN . 16593 1 277 . 1 1 48 48 GLN HA H 1 4.14 0.01 . 1 . . . . 48 GLN HA . 16593 1 278 . 1 1 48 48 GLN HB2 H 1 1.53 0.01 . 2 . . . . 48 GLN HB2 . 16593 1 279 . 1 1 48 48 GLN HB3 H 1 1.53 0.01 . 2 . . . . 48 GLN HB3 . 16593 1 280 . 1 1 48 48 GLN HE21 H 1 7.19 0.01 . 2 . . . . 48 GLN HE21 . 16593 1 281 . 1 1 48 48 GLN HE22 H 1 6.81 0.01 . 2 . . . . 48 GLN HE22 . 16593 1 282 . 1 1 48 48 GLN HG2 H 1 2.14 0.01 . 2 . . . . 48 GLN HG2 . 16593 1 283 . 1 1 48 48 GLN HG3 H 1 2.14 0.01 . 2 . . . . 48 GLN HG3 . 16593 1 284 . 1 1 48 48 GLN N N 15 121.3 0.1 . 1 . . . . 48 GLN N . 16593 1 285 . 1 1 48 48 GLN NE2 N 15 111.1 0.1 . 1 . . . . 48 GLN NE2 . 16593 1 286 . 1 1 49 49 TYR H H 1 6.86 0.01 . 1 . . . . 49 TYR HN . 16593 1 287 . 1 1 49 49 TYR HA H 1 5.21 0.01 . 1 . . . . 49 TYR HA . 16593 1 288 . 1 1 49 49 TYR HB2 H 1 2.44 0.01 . 2 . . . . 49 TYR HB2 . 16593 1 289 . 1 1 49 49 TYR HB3 H 1 2.44 0.01 . 2 . . . . 49 TYR HB3 . 16593 1 290 . 1 1 49 49 TYR HD1 H 1 6.81 0.01 . 3 . . . . 49 TYR HD1 . 16593 1 291 . 1 1 49 49 TYR HD2 H 1 6.81 0.01 . 3 . . . . 49 TYR HD2 . 16593 1 292 . 1 1 49 49 TYR CA C 13 54.3 0.1 . 1 . . . . 49 TYR CA . 16593 1 293 . 1 1 49 49 TYR N N 15 116.7 0.1 . 1 . . . . 49 TYR N . 16593 1 294 . 1 1 50 50 LEU H H 1 8.97 0.01 . 1 . . . . 50 LEU HN . 16593 1 295 . 1 1 50 50 LEU HA H 1 5.55 0.01 . 1 . . . . 50 LEU HA . 16593 1 296 . 1 1 50 50 LEU HB2 H 1 1.89 0.01 . 2 . . . . 50 LEU HB2 . 16593 1 297 . 1 1 50 50 LEU HB3 H 1 1.32 0.01 . 2 . . . . 50 LEU HB3 . 16593 1 298 . 1 1 50 50 LEU HD11 H 1 1.06 0.01 . 2 . . . . 50 LEU HD1 . 16593 1 299 . 1 1 50 50 LEU HD12 H 1 1.06 0.01 . 2 . . . . 50 LEU HD1 . 16593 1 300 . 1 1 50 50 LEU HD13 H 1 1.06 0.01 . 2 . . . . 50 LEU HD1 . 16593 1 301 . 1 1 50 50 LEU HD21 H 1 0.91 0.01 . 2 . . . . 50 LEU HD2 . 16593 1 302 . 1 1 50 50 LEU HD22 H 1 0.91 0.01 . 2 . . . . 50 LEU HD2 . 16593 1 303 . 1 1 50 50 LEU HD23 H 1 0.91 0.01 . 2 . . . . 50 LEU HD2 . 16593 1 304 . 1 1 50 50 LEU HG H 1 1.58 0.01 . 1 . . . . 50 LEU HG . 16593 1 305 . 1 1 50 50 LEU CA C 13 52.8 0.1 . 1 . . . . 50 LEU CA . 16593 1 306 . 1 1 50 50 LEU N N 15 123.3 0.1 . 1 . . . . 50 LEU N . 16593 1 307 . 1 1 51 51 ILE H H 1 8.98 0.01 . 1 . . . . 51 ILE HN . 16593 1 308 . 1 1 51 51 ILE HA H 1 5.13 0.01 . 1 . . . . 51 ILE HA . 16593 1 309 . 1 1 51 51 ILE HB H 1 1.58 0.01 . 1 . . . . 51 ILE HB . 16593 1 310 . 1 1 51 51 ILE HD11 H 1 0.48 0.01 . 1 . . . . 51 ILE HD1 . 16593 1 311 . 1 1 51 51 ILE HD12 H 1 0.48 0.01 . 1 . . . . 51 ILE HD1 . 16593 1 312 . 1 1 51 51 ILE HD13 H 1 0.48 0.01 . 1 . . . . 51 ILE HD1 . 16593 1 313 . 1 1 51 51 ILE HG12 H 1 1.44 0.01 . 2 . . . . 51 ILE HG12 . 16593 1 314 . 1 1 51 51 ILE HG13 H 1 1.06 0.01 . 2 . . . . 51 ILE HG13 . 16593 1 315 . 1 1 51 51 ILE HG21 H 1 0.76 0.01 . 1 . . . . 51 ILE HG2 . 16593 1 316 . 1 1 51 51 ILE HG22 H 1 0.76 0.01 . 1 . . . . 51 ILE HG2 . 16593 1 317 . 1 1 51 51 ILE HG23 H 1 0.76 0.01 . 1 . . . . 51 ILE HG2 . 16593 1 318 . 1 1 51 51 ILE CG2 C 13 16.2 0.1 . 1 . . . . 51 ILE CG2 . 16593 1 319 . 1 1 51 51 ILE N N 15 119.7 0.1 . 1 . . . . 51 ILE N . 16593 1 320 . 1 1 52 52 ILE H H 1 9.44 0.01 . 1 . . . . 52 ILE HN . 16593 1 321 . 1 1 52 52 ILE HA H 1 5.14 0.01 . 1 . . . . 52 ILE HA . 16593 1 322 . 1 1 52 52 ILE HB H 1 1.75 0.01 . 1 . . . . 52 ILE HB . 16593 1 323 . 1 1 52 52 ILE HD11 H 1 0.67 0.01 . 1 . . . . 52 ILE HD1 . 16593 1 324 . 1 1 52 52 ILE HD12 H 1 0.67 0.01 . 1 . . . . 52 ILE HD1 . 16593 1 325 . 1 1 52 52 ILE HD13 H 1 0.67 0.01 . 1 . . . . 52 ILE HD1 . 16593 1 326 . 1 1 52 52 ILE HG12 H 1 1.25 0.01 . 2 . . . . 52 ILE HG12 . 16593 1 327 . 1 1 52 52 ILE HG13 H 1 1.04 0.01 . 2 . . . . 52 ILE HG13 . 16593 1 328 . 1 1 52 52 ILE HG21 H 1 0.84 0.01 . 1 . . . . 52 ILE HG2 . 16593 1 329 . 1 1 52 52 ILE HG22 H 1 0.84 0.01 . 1 . . . . 52 ILE HG2 . 16593 1 330 . 1 1 52 52 ILE HG23 H 1 0.84 0.01 . 1 . . . . 52 ILE HG2 . 16593 1 331 . 1 1 52 52 ILE N N 15 129.1 0.1 . 1 . . . . 52 ILE N . 16593 1 332 . 1 1 53 53 GLY H H 1 9.24 0.01 . 1 . . . . 53 GLY HN . 16593 1 333 . 1 1 53 53 GLY N N 15 113.2 0.1 . 1 . . . . 53 GLY N . 16593 1 334 . 1 1 70 70 TYR HB2 H 1 3.12 0.01 . 2 . . . . 70 TYR HB2 . 16593 1 335 . 1 1 71 71 SER H H 1 8.06 0.01 . 1 . . . . 71 SER HN . 16593 1 336 . 1 1 71 71 SER HA H 1 4.31 0.01 . 1 . . . . 71 SER HA . 16593 1 337 . 1 1 71 71 SER HB2 H 1 4.08 0.01 . 2 . . . . 71 SER HB2 . 16593 1 338 . 1 1 71 71 SER HB3 H 1 4.08 0.01 . 2 . . . . 71 SER HB3 . 16593 1 339 . 1 1 71 71 SER N N 15 113.1 0.1 . 1 . . . . 71 SER N . 16593 1 340 . 1 1 72 72 GLU H H 1 7.81 0.01 . 1 . . . . 72 GLU HN . 16593 1 341 . 1 1 72 72 GLU HA H 1 4.52 0.01 . 1 . . . . 72 GLU HA . 16593 1 342 . 1 1 72 72 GLU HB2 H 1 2.30 0.01 . 2 . . . . 72 GLU HB2 . 16593 1 343 . 1 1 72 72 GLU HB3 H 1 1.98 0.01 . 2 . . . . 72 GLU HB3 . 16593 1 344 . 1 1 72 72 GLU HG2 H 1 2.41 0.01 . 2 . . . . 72 GLU HG2 . 16593 1 345 . 1 1 72 72 GLU HG3 H 1 2.41 0.01 . 2 . . . . 72 GLU HG3 . 16593 1 346 . 1 1 73 73 LEU H H 1 7.51 0.01 . 1 . . . . 73 LEU HN . 16593 1 347 . 1 1 73 73 LEU HA H 1 4.03 0.01 . 1 . . . . 73 LEU HA . 16593 1 348 . 1 1 73 73 LEU HB2 H 1 1.78 0.01 . 2 . . . . 73 LEU HB2 . 16593 1 349 . 1 1 73 73 LEU HB3 H 1 1.44 0.01 . 2 . . . . 73 LEU HB3 . 16593 1 350 . 1 1 73 73 LEU HD11 H 1 0.81 0.01 . 2 . . . . 73 LEU HD1 . 16593 1 351 . 1 1 73 73 LEU HD12 H 1 0.81 0.01 . 2 . . . . 73 LEU HD1 . 16593 1 352 . 1 1 73 73 LEU HD13 H 1 0.81 0.01 . 2 . . . . 73 LEU HD1 . 16593 1 353 . 1 1 73 73 LEU HD21 H 1 0.81 0.01 . 2 . . . . 73 LEU HD2 . 16593 1 354 . 1 1 73 73 LEU HD22 H 1 0.81 0.01 . 2 . . . . 73 LEU HD2 . 16593 1 355 . 1 1 73 73 LEU HD23 H 1 0.81 0.01 . 2 . . . . 73 LEU HD2 . 16593 1 356 . 1 1 74 74 ASP H H 1 7.88 0.01 . 1 . . . . 74 ASP HN . 16593 1 357 . 1 1 74 74 ASP HA H 1 4.38 0.01 . 1 . . . . 74 ASP HA . 16593 1 358 . 1 1 74 74 ASP HB2 H 1 2.60 0.01 . 2 . . . . 74 ASP HB2 . 16593 1 359 . 1 1 74 74 ASP HB3 H 1 2.71 0.01 . 2 . . . . 74 ASP HB3 . 16593 1 360 . 1 1 75 75 ASP H H 1 7.83 0.01 . 1 . . . . 75 ASP HN . 16593 1 361 . 1 1 75 75 ASP HA H 1 4.76 0.01 . 1 . . . . 75 ASP HA . 16593 1 362 . 1 1 75 75 ASP HB2 H 1 2.82 0.01 . 2 . . . . 75 ASP HB2 . 16593 1 363 . 1 1 75 75 ASP HB3 H 1 2.62 0.01 . 2 . . . . 75 ASP HB3 . 16593 1 364 . 1 1 75 75 ASP N N 15 115.9 0.1 . 1 . . . . 75 ASP N . 16593 1 365 . 1 1 76 76 VAL H H 1 7.58 0.01 . 1 . . . . 76 VAL HN . 16593 1 366 . 1 1 76 76 VAL HA H 1 3.97 0.01 . 1 . . . . 76 VAL HA . 16593 1 367 . 1 1 76 76 VAL HB H 1 1.84 0.01 . 1 . . . . 76 VAL HB . 16593 1 368 . 1 1 76 76 VAL HG11 H 1 0.69 0.01 . 2 . . . . 76 VAL HG1 . 16593 1 369 . 1 1 76 76 VAL HG12 H 1 0.69 0.01 . 2 . . . . 76 VAL HG1 . 16593 1 370 . 1 1 76 76 VAL HG13 H 1 0.69 0.01 . 2 . . . . 76 VAL HG1 . 16593 1 371 . 1 1 76 76 VAL HG21 H 1 -0.07 0.01 . 2 . . . . 76 VAL HG2 . 16593 1 372 . 1 1 76 76 VAL HG22 H 1 -0.07 0.01 . 2 . . . . 76 VAL HG2 . 16593 1 373 . 1 1 76 76 VAL HG23 H 1 -0.07 0.01 . 2 . . . . 76 VAL HG2 . 16593 1 374 . 1 1 76 76 VAL CG2 C 13 20.5 0.1 . 1 . . . . 76 VAL CG2 . 16593 1 375 . 1 1 76 76 VAL N N 15 121.4 0.1 . 1 . . . . 76 VAL N . 16593 1 376 . 1 1 77 77 ASP H H 1 8.59 0.01 . 1 . . . . 77 ASP HN . 16593 1 377 . 1 1 77 77 ASP HA H 1 4.88 0.01 . 1 . . . . 77 ASP HA . 16593 1 378 . 1 1 77 77 ASP HB2 H 1 2.55 0.01 . 2 . . . . 77 ASP HB2 . 16593 1 379 . 1 1 77 77 ASP HB3 H 1 2.86 0.01 . 2 . . . . 77 ASP HB3 . 16593 1 380 . 1 1 78 78 PHE H H 1 8.42 0.01 . 1 . . . . 78 PHE HN . 16593 1 381 . 1 1 78 78 PHE HB2 H 1 3.08 0.01 . 2 . . . . 78 PHE HB2 . 16593 1 382 . 1 1 78 78 PHE HB3 H 1 2.57 0.01 . 2 . . . . 78 PHE HB3 . 16593 1 383 . 1 1 78 78 PHE HD1 H 1 7.03 0.01 . 3 . . . . 78 PHE HD1 . 16593 1 384 . 1 1 78 78 PHE HD2 H 1 7.03 0.01 . 3 . . . . 78 PHE HD2 . 16593 1 385 . 1 1 78 78 PHE HE1 H 1 7.12 0.01 . 3 . . . . 78 PHE HE1 . 16593 1 386 . 1 1 78 78 PHE HE2 H 1 7.12 0.01 . 3 . . . . 78 PHE HE2 . 16593 1 387 . 1 1 78 78 PHE HZ H 1 6.92 0.01 . 1 . . . . 78 PHE HZ . 16593 1 388 . 1 1 78 78 PHE N N 15 123.4 0.1 . 1 . . . . 78 PHE N . 16593 1 389 . 1 1 79 79 ASN H H 1 8.59 0.01 . 1 . . . . 79 ASN HN . 16593 1 390 . 1 1 79 79 ASN HA H 1 4.44 0.01 . 1 . . . . 79 ASN HA . 16593 1 391 . 1 1 79 79 ASN HB2 H 1 3.08 0.01 . 2 . . . . 79 ASN HB2 . 16593 1 392 . 1 1 79 79 ASN HB3 H 1 2.65 0.01 . 2 . . . . 79 ASN HB3 . 16593 1 393 . 1 1 79 79 ASN HD21 H 1 8.46 0.01 . 2 . . . . 79 ASN HD21 . 16593 1 394 . 1 1 79 79 ASN HD22 H 1 7.01 0.01 . 2 . . . . 79 ASN HD22 . 16593 1 395 . 1 1 79 79 ASN N N 15 119.3 0.1 . 1 . . . . 79 ASN N . 16593 1 396 . 1 1 79 79 ASN ND2 N 15 116.3 0.1 . 1 . . . . 79 ASN ND2 . 16593 1 397 . 1 1 80 80 GLY H H 1 8.53 0.01 . 1 . . . . 80 GLY HN . 16593 1 398 . 1 1 80 80 GLY HA2 H 1 3.72 0.01 . 2 . . . . 80 GLY HA1 . 16593 1 399 . 1 1 80 80 GLY HA3 H 1 4.28 0.01 . 2 . . . . 80 GLY HA2 . 16593 1 400 . 1 1 80 80 GLY N N 15 113.6 0.1 . 1 . . . . 80 GLY N . 16593 1 401 . 1 1 81 81 LYS H H 1 8.13 0.01 . 1 . . . . 81 LYS HN . 16593 1 402 . 1 1 81 81 LYS HA H 1 4.85 0.01 . 1 . . . . 81 LYS HA . 16593 1 403 . 1 1 81 81 LYS HB2 H 1 1.99 0.01 . 2 . . . . 81 LYS HB2 . 16593 1 404 . 1 1 81 81 LYS HB3 H 1 1.46 0.01 . 2 . . . . 81 LYS HB3 . 16593 1 405 . 1 1 81 81 LYS HG2 H 1 1.30 0.01 . 2 . . . . 81 LYS HG2 . 16593 1 406 . 1 1 81 81 LYS HG3 H 1 1.30 0.01 . 2 . . . . 81 LYS HG3 . 16593 1 407 . 1 1 81 81 LYS N N 15 119.2 0.1 . 1 . . . . 81 LYS N . 16593 1 408 . 1 1 82 82 LEU H H 1 8.13 0.01 . 1 . . . . 82 LEU HN . 16593 1 409 . 1 1 82 82 LEU HA H 1 5.59 0.01 . 1 . . . . 82 LEU HA . 16593 1 410 . 1 1 82 82 LEU HB2 H 1 2.19 0.01 . 2 . . . . 82 LEU HB2 . 16593 1 411 . 1 1 82 82 LEU HB3 H 1 1.81 0.01 . 2 . . . . 82 LEU HB3 . 16593 1 412 . 1 1 82 82 LEU HD11 H 1 1.33 0.01 . 2 . . . . 82 LEU HD1 . 16593 1 413 . 1 1 82 82 LEU HD12 H 1 1.33 0.01 . 2 . . . . 82 LEU HD1 . 16593 1 414 . 1 1 82 82 LEU HD13 H 1 1.33 0.01 . 2 . . . . 82 LEU HD1 . 16593 1 415 . 1 1 82 82 LEU HD21 H 1 1.13 0.01 . 2 . . . . 82 LEU HD2 . 16593 1 416 . 1 1 82 82 LEU HD22 H 1 1.13 0.01 . 2 . . . . 82 LEU HD2 . 16593 1 417 . 1 1 82 82 LEU HD23 H 1 1.13 0.01 . 2 . . . . 82 LEU HD2 . 16593 1 418 . 1 1 82 82 LEU HG H 1 2.07 0.01 . 1 . . . . 82 LEU HG . 16593 1 419 . 1 1 82 82 LEU CA C 13 53.9 0.1 . 1 . . . . 82 LEU CA . 16593 1 420 . 1 1 82 82 LEU N N 15 124.1 0.1 . 1 . . . . 82 LEU N . 16593 1 421 . 1 1 83 83 VAL H H 1 8.92 0.01 . 1 . . . . 83 VAL HN . 16593 1 422 . 1 1 83 83 VAL HA H 1 5.12 0.01 . 1 . . . . 83 VAL HA . 16593 1 423 . 1 1 83 83 VAL HB H 1 1.86 0.01 . 1 . . . . 83 VAL HB . 16593 1 424 . 1 1 83 83 VAL HG11 H 1 0.73 0.01 . 2 . . . . 83 VAL HG1 . 16593 1 425 . 1 1 83 83 VAL HG12 H 1 0.73 0.01 . 2 . . . . 83 VAL HG1 . 16593 1 426 . 1 1 83 83 VAL HG13 H 1 0.73 0.01 . 2 . . . . 83 VAL HG1 . 16593 1 427 . 1 1 83 83 VAL HG21 H 1 0.48 0.01 . 2 . . . . 83 VAL HG2 . 16593 1 428 . 1 1 83 83 VAL HG22 H 1 0.48 0.01 . 2 . . . . 83 VAL HG2 . 16593 1 429 . 1 1 83 83 VAL HG23 H 1 0.48 0.01 . 2 . . . . 83 VAL HG2 . 16593 1 430 . 1 1 83 83 VAL CG1 C 13 20.6 0.1 . 1 . . . . 83 VAL CG1 . 16593 1 431 . 1 1 83 83 VAL CG2 C 13 21.0 0.1 . 1 . . . . 83 VAL CG2 . 16593 1 432 . 1 1 83 83 VAL N N 15 122.9 0.1 . 1 . . . . 83 VAL N . 16593 1 433 . 1 1 84 84 ALA H H 1 8.84 0.01 . 1 . . . . 84 ALA HN . 16593 1 434 . 1 1 84 84 ALA HA H 1 5.38 0.01 . 1 . . . . 84 ALA HA . 16593 1 435 . 1 1 84 84 ALA HB1 H 1 1.44 0.01 . 1 . . . . 84 ALA HB . 16593 1 436 . 1 1 84 84 ALA HB2 H 1 1.44 0.01 . 1 . . . . 84 ALA HB . 16593 1 437 . 1 1 84 84 ALA HB3 H 1 1.44 0.01 . 1 . . . . 84 ALA HB . 16593 1 438 . 1 1 84 84 ALA CA C 13 49.5 0.1 . 1 . . . . 84 ALA CA . 16593 1 439 . 1 1 84 84 ALA N N 15 129.2 0.1 . 1 . . . . 84 ALA N . 16593 1 440 . 1 1 85 85 TYR H H 1 9.67 0.01 . 1 . . . . 85 TYR HN . 16593 1 441 . 1 1 85 85 TYR HA H 1 5.79 0.01 . 1 . . . . 85 TYR HA . 16593 1 442 . 1 1 85 85 TYR HB2 H 1 2.62 0.01 . 2 . . . . 85 TYR HB2 . 16593 1 443 . 1 1 85 85 TYR HB3 H 1 2.67 0.01 . 2 . . . . 85 TYR HB3 . 16593 1 444 . 1 1 86 86 PHE H H 1 9.03 0.01 . 1 . . . . 86 PHE HN . 16593 1 445 . 1 1 86 86 PHE HA H 1 5.15 0.01 . 1 . . . . 86 PHE HA . 16593 1 446 . 1 1 89 89 GLY H H 1 8.24 0.01 . 1 . . . . 89 GLY HN . 16593 1 447 . 1 1 89 89 GLY HA2 H 1 4.55 0.01 . 2 . . . . 89 GLY HA1 . 16593 1 448 . 1 1 89 89 GLY HA3 H 1 3.75 0.01 . 2 . . . . 89 GLY HA2 . 16593 1 449 . 1 1 89 89 GLY N N 15 108.7 0.1 . 1 . . . . 89 GLY N . 16593 1 450 . 1 1 92 92 ILE H H 1 7.92 0.01 . 1 . . . . 92 ILE HN . 16593 1 451 . 1 1 92 92 ILE HA H 1 4.12 0.01 . 1 . . . . 92 ILE HA . 16593 1 452 . 1 1 92 92 ILE HB H 1 1.88 0.01 . 1 . . . . 92 ILE HB . 16593 1 453 . 1 1 92 92 ILE HG12 H 1 1.19 0.01 . 2 . . . . 92 ILE HG12 . 16593 1 454 . 1 1 92 92 ILE HG21 H 1 0.90 0.01 . 1 . . . . 92 ILE HG2 . 16593 1 455 . 1 1 92 92 ILE HG22 H 1 0.90 0.01 . 1 . . . . 92 ILE HG2 . 16593 1 456 . 1 1 92 92 ILE HG23 H 1 0.90 0.01 . 1 . . . . 92 ILE HG2 . 16593 1 457 . 1 1 94 94 TYR HA H 1 4.81 0.01 . 1 . . . . 94 TYR HA . 16593 1 458 . 1 1 95 95 ALA H H 1 7.95 0.01 . 1 . . . . 95 ALA HN . 16593 1 459 . 1 1 95 95 ALA HA H 1 4.24 0.01 . 1 . . . . 95 ALA HA . 16593 1 460 . 1 1 95 95 ALA HB1 H 1 1.36 0.01 . 1 . . . . 95 ALA HB . 16593 1 461 . 1 1 95 95 ALA HB2 H 1 1.36 0.01 . 1 . . . . 95 ALA HB . 16593 1 462 . 1 1 95 95 ALA HB3 H 1 1.36 0.01 . 1 . . . . 95 ALA HB . 16593 1 463 . 1 1 95 95 ALA N N 15 122.9 0.1 . 1 . . . . 95 ALA N . 16593 1 464 . 1 1 102 102 ILE HB H 1 1.82 0.01 . 1 . . . . 102 ILE HB . 16593 1 465 . 1 1 102 102 ILE HG12 H 1 1.68 0.01 . 2 . . . . 102 ILE HG12 . 16593 1 466 . 1 1 102 102 ILE HG13 H 1 1.47 0.01 . 2 . . . . 102 ILE HG13 . 16593 1 467 . 1 1 103 103 GLY H H 1 7.19 0.01 . 1 . . . . 103 GLY HN . 16593 1 468 . 1 1 103 103 GLY HA2 H 1 3.36 0.01 . 2 . . . . 103 GLY HA1 . 16593 1 469 . 1 1 103 103 GLY HA3 H 1 3.05 0.01 . 2 . . . . 103 GLY HA2 . 16593 1 470 . 1 1 103 103 GLY N N 15 110.0 0.1 . 1 . . . . 103 GLY N . 16593 1 471 . 1 1 106 106 GLU H H 1 7.84 0.01 . 1 . . . . 106 GLU HN . 16593 1 472 . 1 1 106 106 GLU HA H 1 3.85 0.01 . 1 . . . . 106 GLU HA . 16593 1 473 . 1 1 106 106 GLU HB2 H 1 1.59 0.01 . 2 . . . . 106 GLU HB2 . 16593 1 474 . 1 1 108 108 LYS HA H 1 4.04 0.01 . 1 . . . . 108 LYS HA . 16593 1 475 . 1 1 109 109 ILE HA H 1 2.91 0.01 . 1 . . . . 109 ILE HA . 16593 1 476 . 1 1 109 109 ILE HB H 1 1.79 0.01 . 1 . . . . 109 ILE HB . 16593 1 477 . 1 1 109 109 ILE HD11 H 1 0.73 0.01 . 1 . . . . 109 ILE HD1 . 16593 1 478 . 1 1 109 109 ILE HD12 H 1 0.73 0.01 . 1 . . . . 109 ILE HD1 . 16593 1 479 . 1 1 109 109 ILE HD13 H 1 0.73 0.01 . 1 . . . . 109 ILE HD1 . 16593 1 480 . 1 1 109 109 ILE HG21 H 1 0.14 0.01 . 1 . . . . 109 ILE HG2 . 16593 1 481 . 1 1 109 109 ILE HG22 H 1 0.14 0.01 . 1 . . . . 109 ILE HG2 . 16593 1 482 . 1 1 109 109 ILE HG23 H 1 0.14 0.01 . 1 . . . . 109 ILE HG2 . 16593 1 483 . 1 1 109 109 ILE CG2 C 13 16.9 0.1 . 1 . . . . 109 ILE CG2 . 16593 1 484 . 1 1 110 110 SER HA H 1 4.83 0.01 . 1 . . . . 110 SER HA . 16593 1 485 . 1 1 110 110 SER HB2 H 1 4.05 0.01 . 2 . . . . 110 SER HB2 . 16593 1 486 . 1 1 110 110 SER HB3 H 1 3.95 0.01 . 2 . . . . 110 SER HB3 . 16593 1 487 . 1 1 111 111 GLN H H 1 8.25 0.01 . 1 . . . . 111 GLN HN . 16593 1 488 . 1 1 111 111 GLN HA H 1 4.16 0.01 . 1 . . . . 111 GLN HA . 16593 1 489 . 1 1 111 111 GLN HB2 H 1 2.35 0.01 . 2 . . . . 111 GLN HB2 . 16593 1 490 . 1 1 111 111 GLN HB3 H 1 2.24 0.01 . 2 . . . . 111 GLN HB3 . 16593 1 491 . 1 1 111 111 GLN HE21 H 1 7.60 0.01 . 2 . . . . 111 GLN HE21 . 16593 1 492 . 1 1 111 111 GLN HE22 H 1 6.84 0.01 . 2 . . . . 111 GLN HE22 . 16593 1 493 . 1 1 111 111 GLN HG2 H 1 2.66 0.01 . 2 . . . . 111 GLN HG2 . 16593 1 494 . 1 1 111 111 GLN HG3 H 1 2.51 0.01 . 2 . . . . 111 GLN HG3 . 16593 1 495 . 1 1 111 111 GLN N N 15 123.8 0.1 . 1 . . . . 111 GLN N . 16593 1 496 . 1 1 111 111 GLN NE2 N 15 111.7 0.1 . 1 . . . . 111 GLN NE2 . 16593 1 497 . 1 1 112 112 ARG H H 1 7.41 0.01 . 1 . . . . 112 ARG HN . 16593 1 498 . 1 1 112 112 ARG HA H 1 4.45 0.01 . 1 . . . . 112 ARG HA . 16593 1 499 . 1 1 112 112 ARG HB2 H 1 1.90 0.01 . 2 . . . . 112 ARG HB2 . 16593 1 500 . 1 1 112 112 ARG HB3 H 1 1.90 0.01 . 2 . . . . 112 ARG HB3 . 16593 1 501 . 1 1 112 112 ARG N N 15 116.8 0.1 . 1 . . . . 112 ARG N . 16593 1 502 . 1 1 113 113 GLY H H 1 7.73 0.01 . 1 . . . . 113 GLY HN . 16593 1 503 . 1 1 113 113 GLY HA2 H 1 4.51 0.01 . 2 . . . . 113 GLY HA1 . 16593 1 504 . 1 1 113 113 GLY HA3 H 1 3.72 0.01 . 2 . . . . 113 GLY HA2 . 16593 1 505 . 1 1 113 113 GLY N N 15 106.5 0.1 . 1 . . . . 113 GLY N . 16593 1 506 . 1 1 114 114 GLY H H 1 8.43 0.01 . 1 . . . . 114 GLY HN . 16593 1 507 . 1 1 114 114 GLY HA2 H 1 4.24 0.01 . 2 . . . . 114 GLY HA1 . 16593 1 508 . 1 1 114 114 GLY HA3 H 1 3.08 0.01 . 2 . . . . 114 GLY HA2 . 16593 1 509 . 1 1 114 114 GLY N N 15 110.2 0.1 . 1 . . . . 114 GLY N . 16593 1 510 . 1 1 115 115 LYS H H 1 8.12 0.01 . 1 . . . . 115 LYS HN . 16593 1 511 . 1 1 115 115 LYS HA H 1 4.82 0.01 . 1 . . . . 115 LYS HA . 16593 1 512 . 1 1 115 115 LYS HB2 H 1 2.07 0.01 . 2 . . . . 115 LYS HB2 . 16593 1 513 . 1 1 115 115 LYS HB3 H 1 1.89 0.01 . 2 . . . . 115 LYS HB3 . 16593 1 514 . 1 1 115 115 LYS HG2 H 1 1.57 0.01 . 2 . . . . 115 LYS HG2 . 16593 1 515 . 1 1 115 115 LYS HG3 H 1 1.33 0.01 . 2 . . . . 115 LYS HG3 . 16593 1 516 . 1 1 115 115 LYS N N 15 125.0 0.1 . 1 . . . . 115 LYS N . 16593 1 517 . 1 1 116 116 THR H H 1 8.80 0.01 . 1 . . . . 116 THR HN . 16593 1 518 . 1 1 116 116 THR HA H 1 5.39 0.01 . 1 . . . . 116 THR HA . 16593 1 519 . 1 1 116 116 THR HB H 1 4.15 0.01 . 1 . . . . 116 THR HB . 16593 1 520 . 1 1 116 116 THR HG21 H 1 1.23 0.01 . 1 . . . . 116 THR HG2 . 16593 1 521 . 1 1 116 116 THR HG22 H 1 1.23 0.01 . 1 . . . . 116 THR HG2 . 16593 1 522 . 1 1 116 116 THR HG23 H 1 1.23 0.01 . 1 . . . . 116 THR HG2 . 16593 1 523 . 1 1 116 116 THR CA C 13 62.8 0.1 . 1 . . . . 116 THR CA . 16593 1 524 . 1 1 116 116 THR N N 15 125.8 0.1 . 1 . . . . 116 THR N . 16593 1 525 . 1 1 117 117 VAL H H 1 9.11 0.01 . 1 . . . . 117 VAL HN . 16593 1 526 . 1 1 117 117 VAL HA H 1 4.66 0.01 . 1 . . . . 117 VAL HA . 16593 1 527 . 1 1 117 117 VAL HB H 1 2.34 0.01 . 1 . . . . 117 VAL HB . 16593 1 528 . 1 1 117 117 VAL HG11 H 1 1.04 0.01 . 2 . . . . 117 VAL HG1 . 16593 1 529 . 1 1 117 117 VAL HG12 H 1 1.04 0.01 . 2 . . . . 117 VAL HG1 . 16593 1 530 . 1 1 117 117 VAL HG13 H 1 1.04 0.01 . 2 . . . . 117 VAL HG1 . 16593 1 531 . 1 1 117 117 VAL HG21 H 1 0.53 0.01 . 2 . . . . 117 VAL HG2 . 16593 1 532 . 1 1 117 117 VAL HG22 H 1 0.53 0.01 . 2 . . . . 117 VAL HG2 . 16593 1 533 . 1 1 117 117 VAL HG23 H 1 0.53 0.01 . 2 . . . . 117 VAL HG2 . 16593 1 534 . 1 1 117 117 VAL CG2 C 13 19.4 0.1 . 1 . . . . 117 VAL CG2 . 16593 1 535 . 1 1 117 117 VAL N N 15 121.3 0.1 . 1 . . . . 117 VAL N . 16593 1 536 . 1 1 123 123 ASP H H 1 8.17 0.01 . 1 . . . . 123 ASP HN . 16593 1 537 . 1 1 123 123 ASP HA H 1 4.55 0.01 . 1 . . . . 123 ASP HA . 16593 1 538 . 1 1 123 123 ASP HB2 H 1 2.63 0.01 . 2 . . . . 123 ASP HB2 . 16593 1 539 . 1 1 123 123 ASP HB3 H 1 2.59 0.01 . 2 . . . . 123 ASP HB3 . 16593 1 540 . 1 1 123 123 ASP N N 15 122.0 0.1 . 1 . . . . 123 ASP N . 16593 1 541 . 1 1 126 126 ASP H H 1 8.24 0.01 . 1 . . . . 126 ASP HN . 16593 1 542 . 1 1 126 126 ASP HA H 1 4.56 0.01 . 1 . . . . 126 ASP HA . 16593 1 543 . 1 1 126 126 ASP HB2 H 1 2.64 0.01 . 2 . . . . 126 ASP HB2 . 16593 1 544 . 1 1 126 126 ASP HB3 H 1 2.49 0.01 . 2 . . . . 126 ASP HB3 . 16593 1 545 . 1 1 126 126 ASP N N 15 122.5 0.1 . 1 . . . . 126 ASP N . 16593 1 546 . 1 1 127 127 PHE H H 1 8.06 0.01 . 1 . . . . 127 PHE HN . 16593 1 547 . 1 1 127 127 PHE HA H 1 4.44 0.01 . 1 . . . . 127 PHE HA . 16593 1 548 . 1 1 127 127 PHE HB2 H 1 3.12 0.01 . 2 . . . . 127 PHE HB2 . 16593 1 549 . 1 1 127 127 PHE HB3 H 1 3.02 0.01 . 2 . . . . 127 PHE HB3 . 16593 1 550 . 1 1 127 127 PHE HD1 H 1 7.23 0.01 . 3 . . . . 127 PHE HD1 . 16593 1 551 . 1 1 127 127 PHE HD2 H 1 7.23 0.01 . 3 . . . . 127 PHE HD2 . 16593 1 552 . 1 1 127 127 PHE HE1 H 1 7.32 0.01 . 3 . . . . 127 PHE HE1 . 16593 1 553 . 1 1 127 127 PHE HE2 H 1 7.32 0.01 . 3 . . . . 127 PHE HE2 . 16593 1 554 . 1 1 127 127 PHE N N 15 121.2 0.1 . 1 . . . . 127 PHE N . 16593 1 555 . 1 1 128 128 ASN HB2 H 1 2.79 0.01 . 2 . . . . 128 ASN HB2 . 16593 1 556 . 1 1 128 128 ASN HB3 H 1 2.75 0.01 . 2 . . . . 128 ASN HB3 . 16593 1 557 . 1 1 128 128 ASN HD21 H 1 7.69 0.01 . 2 . . . . 128 ASN HD21 . 16593 1 558 . 1 1 128 128 ASN HD22 H 1 6.91 0.01 . 2 . . . . 128 ASN HD22 . 16593 1 559 . 1 1 128 128 ASN ND2 N 15 113.6 0.1 . 1 . . . . 128 ASN ND2 . 16593 1 560 . 1 1 141 141 LEU HA H 1 2.90 0.01 . 1 . . . . 141 LEU HA . 16593 1 561 . 1 1 141 141 LEU CA C 13 57.1 0.1 . 1 . . . . 141 LEU CA . 16593 1 562 . 1 1 144 144 ASP H H 1 8.45 0.01 . 1 . . . . 144 ASP HN . 16593 1 563 . 1 1 144 144 ASP HA H 1 4.65 0.01 . 1 . . . . 144 ASP HA . 16593 1 564 . 1 1 144 144 ASP HB2 H 1 2.78 0.01 . 2 . . . . 144 ASP HB2 . 16593 1 565 . 1 1 144 144 ASP HB3 H 1 2.65 0.01 . 2 . . . . 144 ASP HB3 . 16593 1 566 . 1 1 145 145 GLU H H 1 8.62 0.01 . 1 . . . . 145 GLU HN . 16593 1 567 . 1 1 145 145 GLU HA H 1 4.20 0.01 . 1 . . . . 145 GLU HA . 16593 1 568 . 1 1 145 145 GLU HB2 H 1 2.09 0.01 . 2 . . . . 145 GLU HB2 . 16593 1 569 . 1 1 145 145 GLU HB3 H 1 1.96 0.01 . 2 . . . . 145 GLU HB3 . 16593 1 570 . 1 1 145 145 GLU HG2 H 1 2.27 0.01 . 2 . . . . 145 GLU HG2 . 16593 1 571 . 1 1 145 145 GLU HG3 H 1 2.27 0.01 . 2 . . . . 145 GLU HG3 . 16593 1 572 . 1 1 145 145 GLU N N 15 121.5 0.1 . 1 . . . . 145 GLU N . 16593 1 573 . 1 1 146 146 ASP H H 1 8.09 0.01 . 1 . . . . 146 ASP HN . 16593 1 574 . 1 1 146 146 ASP HA H 1 4.60 0.01 . 1 . . . . 146 ASP HA . 16593 1 575 . 1 1 146 146 ASP HB2 H 1 2.76 0.01 . 2 . . . . 146 ASP HB2 . 16593 1 576 . 1 1 146 146 ASP HB3 H 1 2.64 0.01 . 2 . . . . 146 ASP HB3 . 16593 1 577 . 1 1 146 146 ASP N N 15 120.4 0.1 . 1 . . . . 146 ASP N . 16593 1 578 . 1 1 147 147 ASN H H 1 8.44 0.01 . 1 . . . . 147 ASN HN . 16593 1 579 . 1 1 147 147 ASN HB2 H 1 2.78 0.01 . 2 . . . . 147 ASN HB2 . 16593 1 580 . 1 1 147 147 ASN HB3 H 1 2.78 0.01 . 2 . . . . 147 ASN HB3 . 16593 1 581 . 1 1 147 147 ASN HD21 H 1 7.77 0.01 . 2 . . . . 147 ASN HD21 . 16593 1 582 . 1 1 147 147 ASN HD22 H 1 6.95 0.01 . 2 . . . . 147 ASN HD22 . 16593 1 583 . 1 1 147 147 ASN N N 15 122.0 0.1 . 1 . . . . 147 ASN N . 16593 1 584 . 1 1 147 147 ASN ND2 N 15 113.5 0.1 . 1 . . . . 147 ASN ND2 . 16593 1 585 . 1 1 149 149 SER H H 1 8.80 0.01 . 1 . . . . 149 SER HN . 16593 1 586 . 1 1 149 149 SER HA H 1 4.32 0.01 . 1 . . . . 149 SER HA . 16593 1 587 . 1 1 152 152 THR H H 1 8.20 0.01 . 1 . . . . 152 THR HN . 16593 1 588 . 1 1 152 152 THR HA H 1 4.23 0.01 . 1 . . . . 152 THR HA . 16593 1 589 . 1 1 152 152 THR HB H 1 4.09 0.01 . 1 . . . . 152 THR HB . 16593 1 590 . 1 1 152 152 THR HG21 H 1 1.19 0.01 . 1 . . . . 152 THR HG2 . 16593 1 591 . 1 1 152 152 THR HG22 H 1 1.19 0.01 . 1 . . . . 152 THR HG2 . 16593 1 592 . 1 1 152 152 THR HG23 H 1 1.19 0.01 . 1 . . . . 152 THR HG2 . 16593 1 593 . 1 1 153 153 ASP H H 1 8.38 0.01 . 1 . . . . 153 ASP HN . 16593 1 594 . 1 1 153 153 ASP HA H 1 4.51 0.01 . 1 . . . . 153 ASP HA . 16593 1 595 . 1 1 153 153 ASP HB2 H 1 2.75 0.01 . 2 . . . . 153 ASP HB2 . 16593 1 596 . 1 1 153 153 ASP HB3 H 1 2.66 0.01 . 2 . . . . 153 ASP HB3 . 16593 1 597 . 1 1 153 153 ASP N N 15 122.2 0.1 . 1 . . . . 153 ASP N . 16593 1 598 . 1 1 154 154 ASP H H 1 8.29 0.01 . 1 . . . . 154 ASP HN . 16593 1 599 . 1 1 154 154 ASP HA H 1 4.52 0.01 . 1 . . . . 154 ASP HA . 16593 1 600 . 1 1 154 154 ASP HB2 H 1 2.76 0.01 . 2 . . . . 154 ASP HB2 . 16593 1 601 . 1 1 154 154 ASP HB3 H 1 2.76 0.01 . 2 . . . . 154 ASP HB3 . 16593 1 602 . 1 1 154 154 ASP N N 15 120.8 0.1 . 1 . . . . 154 ASP N . 16593 1 603 . 1 1 155 155 ARG H H 1 8.37 0.01 . 1 . . . . 155 ARG HN . 16593 1 604 . 1 1 155 155 ARG HA H 1 4.17 0.01 . 1 . . . . 155 ARG HA . 16593 1 605 . 1 1 155 155 ARG HB2 H 1 1.96 0.01 . 2 . . . . 155 ARG HB2 . 16593 1 606 . 1 1 155 155 ARG HB3 H 1 1.71 0.01 . 2 . . . . 155 ARG HB3 . 16593 1 607 . 1 1 155 155 ARG HG2 H 1 1.57 0.01 . 2 . . . . 155 ARG HG2 . 16593 1 608 . 1 1 155 155 ARG HG3 H 1 1.57 0.01 . 2 . . . . 155 ARG HG3 . 16593 1 609 . 1 1 155 155 ARG N N 15 121.6 0.1 . 1 . . . . 155 ARG N . 16593 1 610 . 1 1 156 156 ILE H H 1 8.21 0.01 . 1 . . . . 156 ILE HN . 16593 1 611 . 1 1 156 156 ILE HA H 1 3.55 0.01 . 1 . . . . 156 ILE HA . 16593 1 612 . 1 1 156 156 ILE HB H 1 1.92 0.01 . 1 . . . . 156 ILE HB . 16593 1 613 . 1 1 156 156 ILE HG21 H 1 0.73 0.01 . 1 . . . . 156 ILE HG2 . 16593 1 614 . 1 1 156 156 ILE HG22 H 1 0.73 0.01 . 1 . . . . 156 ILE HG2 . 16593 1 615 . 1 1 156 156 ILE HG23 H 1 0.73 0.01 . 1 . . . . 156 ILE HG2 . 16593 1 616 . 1 1 156 156 ILE CG2 C 13 18.4 0.1 . 1 . . . . 156 ILE CG2 . 16593 1 617 . 1 1 156 156 ILE N N 15 118.5 0.1 . 1 . . . . 156 ILE N . 16593 1 618 . 1 1 157 157 LYS H H 1 8.09 0.01 . 1 . . . . 157 LYS HN . 16593 1 619 . 1 1 157 157 LYS HA H 1 3.61 0.01 . 1 . . . . 157 LYS HA . 16593 1 620 . 1 1 157 157 LYS HB2 H 1 1.86 0.01 . 2 . . . . 157 LYS HB2 . 16593 1 621 . 1 1 157 157 LYS HB3 H 1 1.79 0.01 . 2 . . . . 157 LYS HB3 . 16593 1 622 . 1 1 157 157 LYS HD2 H 1 1.66 0.01 . 2 . . . . 157 LYS HD2 . 16593 1 623 . 1 1 157 157 LYS HD3 H 1 1.66 0.01 . 2 . . . . 157 LYS HD3 . 16593 1 624 . 1 1 157 157 LYS HG2 H 1 1.53 0.01 . 2 . . . . 157 LYS HG2 . 16593 1 625 . 1 1 157 157 LYS HG3 H 1 1.53 0.01 . 2 . . . . 157 LYS HG3 . 16593 1 626 . 1 1 157 157 LYS N N 15 118.8 0.1 . 1 . . . . 157 LYS N . 16593 1 627 . 1 1 158 158 SER H H 1 8.36 0.01 . 1 . . . . 158 SER HN . 16593 1 628 . 1 1 158 158 SER HA H 1 4.46 0.01 . 1 . . . . 158 SER HA . 16593 1 629 . 1 1 158 158 SER HB2 H 1 3.95 0.01 . 2 . . . . 158 SER HB2 . 16593 1 630 . 1 1 158 158 SER HB3 H 1 3.95 0.01 . 2 . . . . 158 SER HB3 . 16593 1 631 . 1 1 158 158 SER N N 15 116.5 0.1 . 1 . . . . 158 SER N . 16593 1 632 . 1 1 159 159 TRP HE3 H 1 7.01 0.01 . 1 . . . . 159 TRP HE3 . 16593 1 633 . 1 1 159 159 TRP HH2 H 1 6.91 0.01 . 1 . . . . 159 TRP HH2 . 16593 1 634 . 1 1 159 159 TRP HZ2 H 1 7.62 0.01 . 1 . . . . 159 TRP HZ2 . 16593 1 635 . 1 1 159 159 TRP HZ3 H 1 6.55 0.01 . 1 . . . . 159 TRP HZ3 . 16593 1 636 . 1 1 160 160 VAL H H 1 8.61 0.01 . 1 . . . . 160 VAL HN . 16593 1 637 . 1 1 160 160 VAL HA H 1 2.91 0.01 . 1 . . . . 160 VAL HA . 16593 1 638 . 1 1 160 160 VAL HB H 1 1.87 0.01 . 1 . . . . 160 VAL HB . 16593 1 639 . 1 1 160 160 VAL HG11 H 1 0.85 0.01 . 2 . . . . 160 VAL HG1 . 16593 1 640 . 1 1 160 160 VAL HG12 H 1 0.85 0.01 . 2 . . . . 160 VAL HG1 . 16593 1 641 . 1 1 160 160 VAL HG13 H 1 0.85 0.01 . 2 . . . . 160 VAL HG1 . 16593 1 642 . 1 1 160 160 VAL HG21 H 1 -0.22 0.01 . 2 . . . . 160 VAL HG2 . 16593 1 643 . 1 1 160 160 VAL HG22 H 1 -0.22 0.01 . 2 . . . . 160 VAL HG2 . 16593 1 644 . 1 1 160 160 VAL HG23 H 1 -0.22 0.01 . 2 . . . . 160 VAL HG2 . 16593 1 645 . 1 1 160 160 VAL CA C 13 67.1 0.1 . 1 . . . . 160 VAL CA . 16593 1 646 . 1 1 160 160 VAL CG2 C 13 19.6 0.1 . 1 . . . . 160 VAL CG2 . 16593 1 647 . 1 1 161 161 ALA H H 1 7.57 0.01 . 1 . . . . 161 ALA HN . 16593 1 648 . 1 1 161 161 ALA HA H 1 3.86 0.01 . 1 . . . . 161 ALA HA . 16593 1 649 . 1 1 161 161 ALA HB1 H 1 1.47 0.01 . 1 . . . . 161 ALA HB . 16593 1 650 . 1 1 161 161 ALA HB2 H 1 1.47 0.01 . 1 . . . . 161 ALA HB . 16593 1 651 . 1 1 161 161 ALA HB3 H 1 1.47 0.01 . 1 . . . . 161 ALA HB . 16593 1 652 . 1 1 161 161 ALA CA C 13 55.5 0.1 . 1 . . . . 161 ALA CA . 16593 1 653 . 1 1 161 161 ALA CB C 13 17.5 0.1 . 1 . . . . 161 ALA CB . 16593 1 654 . 1 1 161 161 ALA N N 15 120.7 0.1 . 1 . . . . 161 ALA N . 16593 1 655 . 1 1 162 162 GLN H H 1 7.69 0.01 . 1 . . . . 162 GLN HN . 16593 1 656 . 1 1 162 162 GLN HA H 1 4.01 0.01 . 1 . . . . 162 GLN HA . 16593 1 657 . 1 1 162 162 GLN HB2 H 1 2.22 0.01 . 2 . . . . 162 GLN HB2 . 16593 1 658 . 1 1 162 162 GLN N N 15 120.4 0.1 . 1 . . . . 162 GLN N . 16593 1 659 . 1 1 163 163 LEU H H 1 8.54 0.01 . 1 . . . . 163 LEU HN . 16593 1 660 . 1 1 163 163 LEU HA H 1 3.38 0.01 . 1 . . . . 163 LEU HA . 16593 1 661 . 1 1 163 163 LEU HB2 H 1 1.59 0.01 . 2 . . . . 163 LEU HB2 . 16593 1 662 . 1 1 163 163 LEU HB3 H 1 0.64 0.01 . 2 . . . . 163 LEU HB3 . 16593 1 663 . 1 1 163 163 LEU HD11 H 1 -0.12 0.01 . 2 . . . . 163 LEU HD1 . 16593 1 664 . 1 1 163 163 LEU HD12 H 1 -0.12 0.01 . 2 . . . . 163 LEU HD1 . 16593 1 665 . 1 1 163 163 LEU HD13 H 1 -0.12 0.01 . 2 . . . . 163 LEU HD1 . 16593 1 666 . 1 1 163 163 LEU HD21 H 1 -0.49 0.01 . 2 . . . . 163 LEU HD2 . 16593 1 667 . 1 1 163 163 LEU HD22 H 1 -0.49 0.01 . 2 . . . . 163 LEU HD2 . 16593 1 668 . 1 1 163 163 LEU HD23 H 1 -0.49 0.01 . 2 . . . . 163 LEU HD2 . 16593 1 669 . 1 1 163 163 LEU HG H 1 0.59 0.01 . 1 . . . . 163 LEU HG . 16593 1 670 . 1 1 163 163 LEU CA C 13 57.3 0.1 . 1 . . . . 163 LEU CA . 16593 1 671 . 1 1 163 163 LEU CD1 C 13 21.9 0.1 . 1 . . . . 163 LEU CD1 . 16593 1 672 . 1 1 163 163 LEU CD2 C 13 24.0 0.1 . 1 . . . . 163 LEU CD2 . 16593 1 673 . 1 1 164 164 LYS H H 1 8.73 0.01 . 1 . . . . 164 LYS HN . 16593 1 674 . 1 1 164 164 LYS HA H 1 3.84 0.01 . 1 . . . . 164 LYS HA . 16593 1 675 . 1 1 164 164 LYS HB2 H 1 1.93 0.01 . 2 . . . . 164 LYS HB2 . 16593 1 676 . 1 1 164 164 LYS HB3 H 1 1.83 0.01 . 2 . . . . 164 LYS HB3 . 16593 1 677 . 1 1 164 164 LYS HD2 H 1 1.62 0.01 . 2 . . . . 164 LYS HD2 . 16593 1 678 . 1 1 164 164 LYS HD3 H 1 1.62 0.01 . 2 . . . . 164 LYS HD3 . 16593 1 679 . 1 1 164 164 LYS HG2 H 1 1.52 0.01 . 2 . . . . 164 LYS HG2 . 16593 1 680 . 1 1 164 164 LYS HG3 H 1 1.28 0.01 . 2 . . . . 164 LYS HG3 . 16593 1 681 . 1 1 164 164 LYS N N 15 118.7 0.1 . 1 . . . . 164 LYS N . 16593 1 682 . 1 1 165 165 SER H H 1 7.13 0.01 . 1 . . . . 165 SER HN . 16593 1 683 . 1 1 165 165 SER HA H 1 4.38 0.01 . 1 . . . . 165 SER HA . 16593 1 684 . 1 1 165 165 SER HB2 H 1 4.10 0.01 . 2 . . . . 165 SER HB2 . 16593 1 685 . 1 1 165 165 SER HB3 H 1 4.03 0.01 . 2 . . . . 165 SER HB3 . 16593 1 686 . 1 1 165 165 SER N N 15 111.8 0.1 . 1 . . . . 165 SER N . 16593 1 687 . 1 1 166 166 GLU H H 1 8.54 0.01 . 1 . . . . 166 GLU HN . 16593 1 688 . 1 1 166 166 GLU HG2 H 1 2.26 0.01 . 2 . . . . 166 GLU HG2 . 16593 1 689 . 1 1 166 166 GLU HG3 H 1 2.55 0.01 . 2 . . . . 166 GLU HG3 . 16593 1 690 . 1 1 167 167 PHE H H 1 9.23 0.01 . 1 . . . . 167 PHE HN . 16593 1 691 . 1 1 167 167 PHE HA H 1 4.72 0.01 . 1 . . . . 167 PHE HA . 16593 1 692 . 1 1 167 167 PHE HB2 H 1 2.55 0.01 . 2 . . . . 167 PHE HB2 . 16593 1 693 . 1 1 167 167 PHE HB3 H 1 2.83 0.01 . 2 . . . . 167 PHE HB3 . 16593 1 694 . 1 1 167 167 PHE HD1 H 1 7.01 0.01 . 3 . . . . 167 PHE HD1 . 16593 1 695 . 1 1 167 167 PHE HD2 H 1 7.01 0.01 . 3 . . . . 167 PHE HD2 . 16593 1 696 . 1 1 167 167 PHE HE1 H 1 6.93 0.01 . 3 . . . . 167 PHE HE1 . 16593 1 697 . 1 1 167 167 PHE HE2 H 1 6.93 0.01 . 3 . . . . 167 PHE HE2 . 16593 1 698 . 1 1 168 168 GLY H H 1 7.54 0.01 . 1 . . . . 168 GLY HN . 16593 1 699 . 1 1 168 168 GLY HA2 H 1 3.94 0.01 . 2 . . . . 168 GLY HA1 . 16593 1 700 . 1 1 168 168 GLY HA3 H 1 3.94 0.01 . 2 . . . . 168 GLY HA2 . 16593 1 701 . 1 1 168 168 GLY N N 15 107.4 0.1 . 1 . . . . 168 GLY N . 16593 1 702 . 1 1 169 169 LEU H H 1 8.00 0.01 . 1 . . . . 169 LEU HN . 16593 1 703 . 1 1 169 169 LEU HA H 1 4.18 0.01 . 1 . . . . 169 LEU HA . 16593 1 704 . 1 1 169 169 LEU HB2 H 1 1.75 0.01 . 2 . . . . 169 LEU HB2 . 16593 1 705 . 1 1 169 169 LEU HB3 H 1 1.59 0.01 . 2 . . . . 169 LEU HB3 . 16593 1 706 . 1 1 169 169 LEU HD11 H 1 0.85 0.01 . 2 . . . . 169 LEU HD1 . 16593 1 707 . 1 1 169 169 LEU HD12 H 1 0.85 0.01 . 2 . . . . 169 LEU HD1 . 16593 1 708 . 1 1 169 169 LEU HD13 H 1 0.85 0.01 . 2 . . . . 169 LEU HD1 . 16593 1 709 . 1 1 169 169 LEU HD21 H 1 0.70 0.01 . 2 . . . . 169 LEU HD2 . 16593 1 710 . 1 1 169 169 LEU HD22 H 1 0.70 0.01 . 2 . . . . 169 LEU HD2 . 16593 1 711 . 1 1 169 169 LEU HD23 H 1 0.70 0.01 . 2 . . . . 169 LEU HD2 . 16593 1 712 . 1 1 169 169 LEU HG H 1 1.53 0.01 . 1 . . . . 169 LEU HG . 16593 1 713 . 1 1 169 169 LEU N N 15 125.8 0.1 . 1 . . . . 169 LEU N . 16593 1 stop_ save_