################################### # 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 16587 _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-1H TOCSY' . . . 16587 1 2 '3D 1H-15N NOESY' . . . 16587 1 3 '3D 1H-15N TOCSY' . . . 16587 1 4 '2D 1H-15N HSQC' . . . 16587 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 $CARA . . 16587 1 3 $Felix . . 16587 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 1 1 MET HA H 1 4.01 0.02 . 1 . . . . 0 MET HA . 16587 1 2 . 1 1 1 1 MET HB2 H 1 2.11 0.02 . 1 . . . . 0 MET HB2 . 16587 1 3 . 1 1 1 1 MET HB3 H 1 2.11 0.02 . 1 . . . . 0 MET HB3 . 16587 1 4 . 1 1 1 1 MET HG2 H 1 2.6 0.02 . 1 . . . . 0 MET HG2 . 16587 1 5 . 1 1 1 1 MET HG3 H 1 2.6 0.02 . 1 . . . . 0 MET HG3 . 16587 1 6 . 1 1 2 2 ILE HA H 1 4.24 0.02 . 1 . . . . 1 ILE HA . 16587 1 7 . 1 1 2 2 ILE HB H 1 1.88 0.02 . 1 . . . . 1 ILE HB . 16587 1 8 . 1 1 2 2 ILE HD11 H 1 0.78 0.02 . 1 . . . . 1 ILE HD1 . 16587 1 9 . 1 1 2 2 ILE HD12 H 1 0.78 0.02 . 1 . . . . 1 ILE HD1 . 16587 1 10 . 1 1 2 2 ILE HD13 H 1 0.78 0.02 . 1 . . . . 1 ILE HD1 . 16587 1 11 . 1 1 2 2 ILE HG12 H 1 1.54 0.02 . 2 . . . . 1 ILE HG12 . 16587 1 12 . 1 1 2 2 ILE HG13 H 1 1.23 0.02 . 2 . . . . 1 ILE HG13 . 16587 1 13 . 1 1 2 2 ILE HG21 H 1 0.93 0.02 . 1 . . . . 1 ILE HG2 . 16587 1 14 . 1 1 2 2 ILE HG22 H 1 0.93 0.02 . 1 . . . . 1 ILE HG2 . 16587 1 15 . 1 1 2 2 ILE HG23 H 1 0.93 0.02 . 1 . . . . 1 ILE HG2 . 16587 1 16 . 1 1 5 5 THR H H 1 8.03 0.02 . 1 . . . . 4 THR HN . 16587 1 17 . 1 1 5 5 THR HA H 1 4.59 0.02 . 1 . . . . 4 THR HA . 16587 1 18 . 1 1 5 5 THR HB H 1 4.12 0.02 . 1 . . . . 4 THR HB . 16587 1 19 . 1 1 5 5 THR HG21 H 1 1.3 0.02 . 1 . . . . 4 THR HG2 . 16587 1 20 . 1 1 5 5 THR HG22 H 1 1.3 0.02 . 1 . . . . 4 THR HG2 . 16587 1 21 . 1 1 5 5 THR HG23 H 1 1.3 0.02 . 1 . . . . 4 THR HG2 . 16587 1 22 . 1 1 5 5 THR N N 15 116.32 0.2 . 1 . . . . 4 THR N . 16587 1 23 . 1 1 6 6 PRO HA H 1 4.49 0.02 . 1 . . . . 5 PRO HA . 16587 1 24 . 1 1 6 6 PRO HB2 H 1 1.49 0.02 . 2 . . . . 5 PRO HB2 . 16587 1 25 . 1 1 6 6 PRO HG2 H 1 1.68 0.02 . 2 . . . . 5 PRO HG2 . 16587 1 26 . 1 1 7 7 LYS H H 1 8.43 0.02 . 1 . . . . 6 LYS HN . 16587 1 27 . 1 1 7 7 LYS HA H 1 4.64 0.02 . 1 . . . . 6 LYS HA . 16587 1 28 . 1 1 7 7 LYS N N 15 120.8 0.2 . 1 . . . . 6 LYS N . 16587 1 29 . 1 1 8 8 ILE H H 1 7.85 0.02 . 1 . . . . 7 ILE HN . 16587 1 30 . 1 1 8 8 ILE HA H 1 5.43 0.02 . 1 . . . . 7 ILE HA . 16587 1 31 . 1 1 8 8 ILE HB H 1 1.73 0.02 . 1 . . . . 7 ILE HB . 16587 1 32 . 1 1 8 8 ILE N N 15 121.67 0.2 . 1 . . . . 7 ILE N . 16587 1 33 . 1 1 9 9 GLN H H 1 9.39 0.02 . 1 . . . . 8 GLN HN . 16587 1 34 . 1 1 9 9 GLN HA H 1 5.01 0.02 . 1 . . . . 8 GLN HA . 16587 1 35 . 1 1 9 9 GLN N N 15 125.28 0.2 . 1 . . . . 8 GLN N . 16587 1 36 . 1 1 10 10 VAL H H 1 8.96 0.02 . 1 . . . . 9 VAL HN . 16587 1 37 . 1 1 10 10 VAL HA H 1 5.47 0.02 . 1 . . . . 9 VAL HA . 16587 1 38 . 1 1 10 10 VAL HB H 1 2.05 0.02 . 1 . . . . 9 VAL HB . 16587 1 39 . 1 1 10 10 VAL HG11 H 1 0.98 0.02 . 2 . . . . 9 VAL HG1 . 16587 1 40 . 1 1 10 10 VAL HG12 H 1 0.98 0.02 . 2 . . . . 9 VAL HG1 . 16587 1 41 . 1 1 10 10 VAL HG13 H 1 0.98 0.02 . 2 . . . . 9 VAL HG1 . 16587 1 42 . 1 1 10 10 VAL N N 15 124.64 0.2 . 1 . . . . 9 VAL N . 16587 1 43 . 1 1 11 11 TYR H H 1 8.64 0.02 . 1 . . . . 10 TYR HN . 16587 1 44 . 1 1 11 11 TYR HA H 1 5.36 0.02 . 1 . . . . 10 TYR HA . 16587 1 45 . 1 1 11 11 TYR HB2 H 1 3.41 0.02 . 2 . . . . 10 TYR HB2 . 16587 1 46 . 1 1 11 11 TYR HB3 H 1 3.16 0.02 . 2 . . . . 10 TYR HB3 . 16587 1 47 . 1 1 11 11 TYR HD1 H 1 6.9 0.02 . 1 . . . . 10 TYR HD1 . 16587 1 48 . 1 1 11 11 TYR HD2 H 1 6.9 0.02 . 1 . . . . 10 TYR HD2 . 16587 1 49 . 1 1 11 11 TYR HE1 H 1 6.56 0.02 . 1 . . . . 10 TYR HE1 . 16587 1 50 . 1 1 11 11 TYR HE2 H 1 6.56 0.02 . 1 . . . . 10 TYR HE2 . 16587 1 51 . 1 1 11 11 TYR N N 15 122.75 0.2 . 1 . . . . 10 TYR N . 16587 1 52 . 1 1 12 12 SER H H 1 9.36 0.02 . 1 . . . . 11 SER HN . 16587 1 53 . 1 1 12 12 SER HA H 1 5.32 0.02 . 1 . . . . 11 SER HA . 16587 1 54 . 1 1 12 12 SER HB2 H 1 4.45 0.02 . 2 . . . . 11 SER HB2 . 16587 1 55 . 1 1 12 12 SER HB3 H 1 3.79 0.02 . 2 . . . . 11 SER HB3 . 16587 1 56 . 1 1 12 12 SER N N 15 116.78 0.2 . 1 . . . . 11 SER N . 16587 1 57 . 1 1 13 13 ARG H H 1 8.89 0.02 . 1 . . . . 12 ARG HN . 16587 1 58 . 1 1 13 13 ARG HA H 1 3.99 0.02 . 1 . . . . 12 ARG HA . 16587 1 59 . 1 1 13 13 ARG HB2 H 1 1.9 0.02 . 2 . . . . 12 ARG HB2 . 16587 1 60 . 1 1 13 13 ARG HG2 H 1 1.48 0.02 . 1 . . . . 12 ARG HG2 . 16587 1 61 . 1 1 13 13 ARG HG3 H 1 1.48 0.02 . 1 . . . . 12 ARG HG3 . 16587 1 62 . 1 1 13 13 ARG N N 15 122.64 0.2 . 1 . . . . 12 ARG N . 16587 1 63 . 1 1 14 14 HIS H H 1 8.36 0.02 . 1 . . . . 13 HIS HN . 16587 1 64 . 1 1 18 18 ASN HB2 H 1 2.75 0.02 . 2 . . . . 17 ASN HB2 . 16587 1 65 . 1 1 19 19 GLY H H 1 8.9 0.02 . 1 . . . . 18 GLY HN . 16587 1 66 . 1 1 19 19 GLY HA2 H 1 4.2 0.02 . 2 . . . . 18 GLY HA1 . 16587 1 67 . 1 1 19 19 GLY HA3 H 1 3.5 0.02 . 2 . . . . 18 GLY HA2 . 16587 1 68 . 1 1 19 19 GLY N N 15 109.68 0.2 . 1 . . . . 18 GLY N . 16587 1 69 . 1 1 20 20 LYS H H 1 7.87 0.02 . 1 . . . . 19 LYS HN . 16587 1 70 . 1 1 20 20 LYS HB2 H 1 1.86 0.02 . 2 . . . . 19 LYS HB2 . 16587 1 71 . 1 1 20 20 LYS HG2 H 1 1.35 0.02 . 2 . . . . 19 LYS HG2 . 16587 1 72 . 1 1 21 21 SER H H 1 8.32 0.02 . 1 . . . . 20 SER HN . 16587 1 73 . 1 1 21 21 SER HA H 1 4.32 0.02 . 1 . . . . 20 SER HA . 16587 1 74 . 1 1 21 21 SER HB2 H 1 3.77 0.02 . 1 . . . . 20 SER HB2 . 16587 1 75 . 1 1 21 21 SER HB3 H 1 3.77 0.02 . 1 . . . . 20 SER HB3 . 16587 1 76 . 1 1 21 21 SER N N 15 119.85 0.2 . 1 . . . . 20 SER N . 16587 1 77 . 1 1 22 22 ASN H H 1 8.92 0.02 . 1 . . . . 21 ASN HN . 16587 1 78 . 1 1 22 22 ASN HA H 1 4.88 0.02 . 1 . . . . 21 ASN HA . 16587 1 79 . 1 1 23 23 PHE H H 1 10.27 0.02 . 1 . . . . 22 PHE HN . 16587 1 80 . 1 1 23 23 PHE HA H 1 5.5 0.02 . 1 . . . . 22 PHE HA . 16587 1 81 . 1 1 23 23 PHE HB2 H 1 2.71 0.02 . 2 . . . . 22 PHE HB2 . 16587 1 82 . 1 1 23 23 PHE HD1 H 1 7.07 0.02 . 1 . . . . 22 PHE HD1 . 16587 1 83 . 1 1 23 23 PHE HD2 H 1 7.07 0.02 . 1 . . . . 22 PHE HD2 . 16587 1 84 . 1 1 23 23 PHE HE1 H 1 7.44 0.02 . 1 . . . . 22 PHE HE1 . 16587 1 85 . 1 1 23 23 PHE HE2 H 1 7.44 0.02 . 1 . . . . 22 PHE HE2 . 16587 1 86 . 1 1 23 23 PHE N N 15 119.62 0.2 . 1 . . . . 22 PHE N . 16587 1 87 . 1 1 24 24 LEU H H 1 8.94 0.02 . 1 . . . . 23 LEU HN . 16587 1 88 . 1 1 24 24 LEU HA H 1 3.72 0.02 . 1 . . . . 23 LEU HA . 16587 1 89 . 1 1 24 24 LEU HB2 H 1 -0.81 0.02 . 2 . . . . 23 LEU HB2 . 16587 1 90 . 1 1 24 24 LEU HD11 H 1 0.06 0.02 . 2 . . . . 23 LEU HD1 . 16587 1 91 . 1 1 24 24 LEU HD12 H 1 0.06 0.02 . 2 . . . . 23 LEU HD1 . 16587 1 92 . 1 1 24 24 LEU HD13 H 1 0.06 0.02 . 2 . . . . 23 LEU HD1 . 16587 1 93 . 1 1 24 24 LEU HD21 H 1 -0.58 0.02 . 2 . . . . 23 LEU HD2 . 16587 1 94 . 1 1 24 24 LEU HD22 H 1 -0.58 0.02 . 2 . . . . 23 LEU HD2 . 16587 1 95 . 1 1 24 24 LEU HD23 H 1 -0.58 0.02 . 2 . . . . 23 LEU HD2 . 16587 1 96 . 1 1 24 24 LEU HG H 1 0.71 0.02 . 1 . . . . 23 LEU HG . 16587 1 97 . 1 1 24 24 LEU N N 15 127.19 0.2 . 1 . . . . 23 LEU N . 16587 1 98 . 1 1 25 25 ASN H H 1 8.28 0.02 . 1 . . . . 24 ASN HN . 16587 1 99 . 1 1 25 25 ASN HA H 1 5.46 0.02 . 1 . . . . 24 ASN HA . 16587 1 100 . 1 1 25 25 ASN HB2 H 1 1.93 0.02 . 2 . . . . 24 ASN HB2 . 16587 1 101 . 1 1 25 25 ASN HB3 H 1 1.66 0.02 . 2 . . . . 24 ASN HB3 . 16587 1 102 . 1 1 25 25 ASN HD21 H 1 5.67 0.02 . 2 . . . . 24 ASN HD21 . 16587 1 103 . 1 1 25 25 ASN HD22 H 1 5.58 0.02 . 2 . . . . 24 ASN HD22 . 16587 1 104 . 1 1 25 25 ASN N N 15 121.71 0.2 . 1 . . . . 24 ASN N . 16587 1 105 . 1 1 25 25 ASN ND2 N 15 106.53 0.2 . 1 . . . . 24 ASN ND2 . 16587 1 106 . 1 1 26 26 CYS H H 1 9.86 0.02 . 1 . . . . 25 CYS HN . 16587 1 107 . 1 1 26 26 CYS HA H 1 5.24 0.02 . 1 . . . . 25 CYS HA . 16587 1 108 . 1 1 26 26 CYS HB2 H 1 3.43 0.02 . 2 . . . . 25 CYS HB2 . 16587 1 109 . 1 1 26 26 CYS HB3 H 1 2.65 0.02 . 2 . . . . 25 CYS HB3 . 16587 1 110 . 1 1 26 26 CYS N N 15 121.35 0.2 . 1 . . . . 25 CYS N . 16587 1 111 . 1 1 27 27 TYR H H 1 9.72 0.02 . 1 . . . . 26 TYR HN . 16587 1 112 . 1 1 27 27 TYR HA H 1 5.45 0.02 . 1 . . . . 26 TYR HA . 16587 1 113 . 1 1 27 27 TYR HB2 H 1 3.24 0.02 . 2 . . . . 26 TYR HB2 . 16587 1 114 . 1 1 27 27 TYR HB3 H 1 3.04 0.02 . 2 . . . . 26 TYR HB3 . 16587 1 115 . 1 1 27 27 TYR HD1 H 1 6.95 0.02 . 1 . . . . 26 TYR HD1 . 16587 1 116 . 1 1 27 27 TYR HD2 H 1 6.95 0.02 . 1 . . . . 26 TYR HD2 . 16587 1 117 . 1 1 27 27 TYR HE1 H 1 6.25 0.02 . 1 . . . . 26 TYR HE1 . 16587 1 118 . 1 1 27 27 TYR HE2 H 1 6.25 0.02 . 1 . . . . 26 TYR HE2 . 16587 1 119 . 1 1 27 27 TYR N N 15 131.01 0.2 . 1 . . . . 26 TYR N . 16587 1 120 . 1 1 28 28 VAL H H 1 8.73 0.02 . 1 . . . . 27 VAL HN . 16587 1 121 . 1 1 28 28 VAL HA H 1 5.04 0.02 . 1 . . . . 27 VAL HA . 16587 1 122 . 1 1 28 28 VAL HB H 1 2.09 0.02 . 1 . . . . 27 VAL HB . 16587 1 123 . 1 1 28 28 VAL HG11 H 1 1.03 0.02 . 2 . . . . 27 VAL HG1 . 16587 1 124 . 1 1 28 28 VAL HG12 H 1 1.03 0.02 . 2 . . . . 27 VAL HG1 . 16587 1 125 . 1 1 28 28 VAL HG13 H 1 1.03 0.02 . 2 . . . . 27 VAL HG1 . 16587 1 126 . 1 1 28 28 VAL HG21 H 1 0.85 0.02 . 2 . . . . 27 VAL HG2 . 16587 1 127 . 1 1 28 28 VAL HG22 H 1 0.85 0.02 . 2 . . . . 27 VAL HG2 . 16587 1 128 . 1 1 28 28 VAL HG23 H 1 0.85 0.02 . 2 . . . . 27 VAL HG2 . 16587 1 129 . 1 1 28 28 VAL N N 15 126.53 0.2 . 1 . . . . 27 VAL N . 16587 1 130 . 1 1 29 29 SER H H 1 9.07 0.02 . 1 . . . . 28 SER HN . 16587 1 131 . 1 1 29 29 SER HA H 1 5.33 0.02 . 1 . . . . 28 SER HA . 16587 1 132 . 1 1 29 29 SER HB2 H 1 3.83 0.02 . 2 . . . . 28 SER HB2 . 16587 1 133 . 1 1 29 29 SER HB3 H 1 3.63 0.02 . 2 . . . . 28 SER HB3 . 16587 1 134 . 1 1 29 29 SER N N 15 120.48 0.2 . 1 . . . . 28 SER N . 16587 1 135 . 1 1 30 30 GLY H H 1 7.75 0.02 . 1 . . . . 29 GLY HN . 16587 1 136 . 1 1 30 30 GLY HA2 H 1 3.85 0.02 . 2 . . . . 29 GLY HA1 . 16587 1 137 . 1 1 30 30 GLY HA3 H 1 3.42 0.02 . 2 . . . . 29 GLY HA2 . 16587 1 138 . 1 1 30 30 GLY N N 15 108.21 0.2 . 1 . . . . 29 GLY N . 16587 1 139 . 1 1 31 31 PHE H H 1 7.85 0.02 . 1 . . . . 30 PHE HN . 16587 1 140 . 1 1 31 31 PHE HA H 1 4.94 0.02 . 1 . . . . 30 PHE HA . 16587 1 141 . 1 1 31 31 PHE HD1 H 1 7.03 0.02 . 1 . . . . 30 PHE HD1 . 16587 1 142 . 1 1 31 31 PHE HD2 H 1 7.03 0.02 . 1 . . . . 30 PHE HD2 . 16587 1 143 . 1 1 31 31 PHE N N 15 116.9 0.2 . 1 . . . . 30 PHE N . 16587 1 144 . 1 1 36 36 ILE H H 1 7.13 0.02 . 1 . . . . 35 ILE HN . 16587 1 145 . 1 1 36 36 ILE HA H 1 5.11 0.02 . 1 . . . . 35 ILE HA . 16587 1 146 . 1 1 36 36 ILE N N 15 112.15 0.2 . 1 . . . . 35 ILE N . 16587 1 147 . 1 1 37 37 GLU H H 1 8.17 0.02 . 1 . . . . 36 GLU HN . 16587 1 148 . 1 1 37 37 GLU HA H 1 4.5 0.02 . 1 . . . . 36 GLU HA . 16587 1 149 . 1 1 37 37 GLU N N 15 122.23 0.2 . 1 . . . . 36 GLU N . 16587 1 150 . 1 1 38 38 VAL H H 1 8.1 0.02 . 1 . . . . 37 VAL HN . 16587 1 151 . 1 1 38 38 VAL HA H 1 4.8 0.02 . 1 . . . . 37 VAL HA . 16587 1 152 . 1 1 38 38 VAL HB H 1 0.53 0.02 . 1 . . . . 37 VAL HB . 16587 1 153 . 1 1 38 38 VAL HG11 H 1 0.67 0.02 . 2 . . . . 37 VAL HG1 . 16587 1 154 . 1 1 38 38 VAL HG12 H 1 0.67 0.02 . 2 . . . . 37 VAL HG1 . 16587 1 155 . 1 1 38 38 VAL HG13 H 1 0.67 0.02 . 2 . . . . 37 VAL HG1 . 16587 1 156 . 1 1 38 38 VAL HG21 H 1 0.21 0.02 . 2 . . . . 37 VAL HG2 . 16587 1 157 . 1 1 38 38 VAL HG22 H 1 0.21 0.02 . 2 . . . . 37 VAL HG2 . 16587 1 158 . 1 1 38 38 VAL HG23 H 1 0.21 0.02 . 2 . . . . 37 VAL HG2 . 16587 1 159 . 1 1 38 38 VAL N N 15 126.17 0.2 . 1 . . . . 37 VAL N . 16587 1 160 . 1 1 39 39 ASP H H 1 8.94 0.02 . 1 . . . . 38 ASP HN . 16587 1 161 . 1 1 39 39 ASP HA H 1 5.07 0.02 . 1 . . . . 38 ASP HA . 16587 1 162 . 1 1 39 39 ASP HB2 H 1 2.48 0.02 . 2 . . . . 38 ASP HB2 . 16587 1 163 . 1 1 39 39 ASP HB3 H 1 2.19 0.02 . 2 . . . . 38 ASP HB3 . 16587 1 164 . 1 1 39 39 ASP N N 15 123.38 0.2 . 1 . . . . 38 ASP N . 16587 1 165 . 1 1 40 40 LEU H H 1 8.93 0.02 . 1 . . . . 39 LEU HN . 16587 1 166 . 1 1 40 40 LEU HA H 1 5.11 0.02 . 1 . . . . 39 LEU HA . 16587 1 167 . 1 1 40 40 LEU HD11 H 1 0.77 0.02 . 1 . . . . 39 LEU HD1 . 16587 1 168 . 1 1 40 40 LEU HD12 H 1 0.77 0.02 . 1 . . . . 39 LEU HD1 . 16587 1 169 . 1 1 40 40 LEU HD13 H 1 0.77 0.02 . 1 . . . . 39 LEU HD1 . 16587 1 170 . 1 1 40 40 LEU HD21 H 1 0.77 0.02 . 1 . . . . 39 LEU HD2 . 16587 1 171 . 1 1 40 40 LEU HD22 H 1 0.77 0.02 . 1 . . . . 39 LEU HD2 . 16587 1 172 . 1 1 40 40 LEU HD23 H 1 0.77 0.02 . 1 . . . . 39 LEU HD2 . 16587 1 173 . 1 1 40 40 LEU N N 15 120.64 0.2 . 1 . . . . 39 LEU N . 16587 1 174 . 1 1 41 41 LEU HB2 H 1 0.89 0.02 . 2 . . . . 40 LEU HB2 . 16587 1 175 . 1 1 42 42 LYS HA H 1 4.5 0.02 . 1 . . . . 41 LYS HA . 16587 1 176 . 1 1 45 45 GLU H H 1 7.86 0.02 . 1 . . . . 44 GLU HN . 16587 1 177 . 1 1 45 45 GLU N N 15 120.31 0.2 . 1 . . . . 44 GLU N . 16587 1 178 . 1 1 46 46 ARG H H 1 8.65 0.02 . 1 . . . . 45 ARG HN . 16587 1 179 . 1 1 46 46 ARG HE H 1 7.47 0.02 . 1 . . . . 45 ARG HE . 16587 1 180 . 1 1 46 46 ARG N N 15 123.91 0.2 . 1 . . . . 45 ARG N . 16587 1 181 . 1 1 47 47 ILE H H 1 8.86 0.02 . 1 . . . . 46 ILE HN . 16587 1 182 . 1 1 47 47 ILE HA H 1 4.02 0.02 . 1 . . . . 46 ILE HA . 16587 1 183 . 1 1 47 47 ILE HB H 1 1.65 0.02 . 1 . . . . 46 ILE HB . 16587 1 184 . 1 1 47 47 ILE HG21 H 1 1.01 0.02 . 1 . . . . 46 ILE HG2 . 16587 1 185 . 1 1 47 47 ILE HG22 H 1 1.01 0.02 . 1 . . . . 46 ILE HG2 . 16587 1 186 . 1 1 47 47 ILE HG23 H 1 1.01 0.02 . 1 . . . . 46 ILE HG2 . 16587 1 187 . 1 1 48 48 GLU H H 1 8.54 0.02 . 1 . . . . 47 GLU HN . 16587 1 188 . 1 1 48 48 GLU HA H 1 4.18 0.02 . 1 . . . . 47 GLU HA . 16587 1 189 . 1 1 48 48 GLU HB2 H 1 2.08 0.02 . 2 . . . . 47 GLU HB2 . 16587 1 190 . 1 1 48 48 GLU HG2 H 1 2.37 0.02 . 2 . . . . 47 GLU HG2 . 16587 1 191 . 1 1 48 48 GLU N N 15 126.31 0.2 . 1 . . . . 47 GLU N . 16587 1 192 . 1 1 49 49 LYS H H 1 7.92 0.02 . 1 . . . . 48 LYS HN . 16587 1 193 . 1 1 49 49 LYS HA H 1 4.53 0.02 . 1 . . . . 48 LYS HA . 16587 1 194 . 1 1 49 49 LYS HB2 H 1 1.96 0.02 . 1 . . . . 48 LYS HB2 . 16587 1 195 . 1 1 49 49 LYS HB3 H 1 1.8 0.02 . 1 . . . . 48 LYS HB3 . 16587 1 196 . 1 1 49 49 LYS HG2 H 1 1.43 0.02 . 2 . . . . 48 LYS HG2 . 16587 1 197 . 1 1 49 49 LYS N N 15 119.3 0.2 . 1 . . . . 48 LYS N . 16587 1 198 . 1 1 50 50 VAL H H 1 7.84 0.02 . 1 . . . . 49 VAL HN . 16587 1 199 . 1 1 50 50 VAL HA H 1 4.35 0.02 . 1 . . . . 49 VAL HA . 16587 1 200 . 1 1 50 50 VAL HB H 1 2.06 0.02 . 1 . . . . 49 VAL HB . 16587 1 201 . 1 1 50 50 VAL HG11 H 1 1.14 0.02 . 2 . . . . 49 VAL HG1 . 16587 1 202 . 1 1 50 50 VAL HG12 H 1 1.14 0.02 . 2 . . . . 49 VAL HG1 . 16587 1 203 . 1 1 50 50 VAL HG13 H 1 1.14 0.02 . 2 . . . . 49 VAL HG1 . 16587 1 204 . 1 1 50 50 VAL HG21 H 1 1.02 0.02 . 2 . . . . 49 VAL HG2 . 16587 1 205 . 1 1 50 50 VAL HG22 H 1 1.02 0.02 . 2 . . . . 49 VAL HG2 . 16587 1 206 . 1 1 50 50 VAL HG23 H 1 1.02 0.02 . 2 . . . . 49 VAL HG2 . 16587 1 207 . 1 1 50 50 VAL N N 15 124.07 0.2 . 1 . . . . 49 VAL N . 16587 1 208 . 1 1 51 51 GLU H H 1 8.45 0.02 . 1 . . . . 50 GLU HN . 16587 1 209 . 1 1 51 51 GLU HA H 1 4.5 0.02 . 1 . . . . 50 GLU HA . 16587 1 210 . 1 1 51 51 GLU HB2 H 1 1.66 0.02 . 2 . . . . 50 GLU HB2 . 16587 1 211 . 1 1 51 51 GLU HB3 H 1 0.95 0.02 . 2 . . . . 50 GLU HB3 . 16587 1 212 . 1 1 51 51 GLU HG2 H 1 2.11 0.02 . 1 . . . . 50 GLU HG2 . 16587 1 213 . 1 1 51 51 GLU HG3 H 1 2.11 0.02 . 1 . . . . 50 GLU HG3 . 16587 1 214 . 1 1 51 51 GLU N N 15 126.6 0.2 . 1 . . . . 50 GLU N . 16587 1 215 . 1 1 52 52 HIS H H 1 8.1 0.02 . 1 . . . . 51 HIS HN . 16587 1 216 . 1 1 52 52 HIS HA H 1 5.63 0.02 . 1 . . . . 51 HIS HA . 16587 1 217 . 1 1 52 52 HIS HB2 H 1 2.41 0.02 . 2 . . . . 51 HIS HB2 . 16587 1 218 . 1 1 52 52 HIS HB3 H 1 2.12 0.02 . 2 . . . . 51 HIS HB3 . 16587 1 219 . 1 1 52 52 HIS HD1 H 1 7.06 0.02 . 1 . . . . 51 HIS HD1 . 16587 1 220 . 1 1 52 52 HIS N N 15 111.73 0.2 . 1 . . . . 51 HIS N . 16587 1 221 . 1 1 53 53 SER H H 1 9.15 0.02 . 1 . . . . 52 SER HN . 16587 1 222 . 1 1 53 53 SER HA H 1 4.66 0.02 . 1 . . . . 52 SER HA . 16587 1 223 . 1 1 53 53 SER HB2 H 1 4.48 0.02 . 2 . . . . 52 SER HB2 . 16587 1 224 . 1 1 53 53 SER HB3 H 1 4.02 0.02 . 2 . . . . 52 SER HB3 . 16587 1 225 . 1 1 53 53 SER N N 15 117 0.2 . 1 . . . . 52 SER N . 16587 1 226 . 1 1 54 54 ASP H H 1 8.46 0.02 . 1 . . . . 53 ASP HN . 16587 1 227 . 1 1 54 54 ASP HA H 1 4.85 0.02 . 1 . . . . 53 ASP HA . 16587 1 228 . 1 1 54 54 ASP HB2 H 1 2.79 0.02 . 2 . . . . 53 ASP HB2 . 16587 1 229 . 1 1 54 54 ASP HB3 H 1 2.56 0.02 . 2 . . . . 53 ASP HB3 . 16587 1 230 . 1 1 54 54 ASP N N 15 119.27 0.2 . 1 . . . . 53 ASP N . 16587 1 231 . 1 1 55 55 LEU H H 1 8.54 0.02 . 1 . . . . 54 LEU HN . 16587 1 232 . 1 1 55 55 LEU HA H 1 4.17 0.02 . 1 . . . . 54 LEU HA . 16587 1 233 . 1 1 55 55 LEU HB2 H 1 1.62 0.02 . 1 . . . . 54 LEU HB2 . 16587 1 234 . 1 1 55 55 LEU HB3 H 1 1.62 0.02 . 1 . . . . 54 LEU HB3 . 16587 1 235 . 1 1 55 55 LEU HD11 H 1 0.8 0.02 . 2 . . . . 54 LEU HD1 . 16587 1 236 . 1 1 55 55 LEU HD12 H 1 0.8 0.02 . 2 . . . . 54 LEU HD1 . 16587 1 237 . 1 1 55 55 LEU HD13 H 1 0.8 0.02 . 2 . . . . 54 LEU HD1 . 16587 1 238 . 1 1 55 55 LEU HD21 H 1 0.65 0.02 . 2 . . . . 54 LEU HD2 . 16587 1 239 . 1 1 55 55 LEU HD22 H 1 0.65 0.02 . 2 . . . . 54 LEU HD2 . 16587 1 240 . 1 1 55 55 LEU HD23 H 1 0.65 0.02 . 2 . . . . 54 LEU HD2 . 16587 1 241 . 1 1 55 55 LEU HG H 1 1.4 0.02 . 1 . . . . 54 LEU HG . 16587 1 242 . 1 1 55 55 LEU N N 15 125.25 0.2 . 1 . . . . 54 LEU N . 16587 1 243 . 1 1 56 56 SER H H 1 8.22 0.02 . 1 . . . . 55 SER HN . 16587 1 244 . 1 1 56 56 SER HB2 H 1 3.35 0.02 . 2 . . . . 55 SER HB2 . 16587 1 245 . 1 1 56 56 SER HB3 H 1 2.68 0.02 . 2 . . . . 55 SER HB3 . 16587 1 246 . 1 1 56 56 SER N N 15 121.36 0.2 . 1 . . . . 55 SER N . 16587 1 247 . 1 1 57 57 PHE H H 1 8.1 0.02 . 1 . . . . 56 PHE HN . 16587 1 248 . 1 1 57 57 PHE HA H 1 5.31 0.02 . 1 . . . . 56 PHE HA . 16587 1 249 . 1 1 57 57 PHE HB2 H 1 3.05 0.02 . 2 . . . . 56 PHE HB2 . 16587 1 250 . 1 1 57 57 PHE HB3 H 1 2.75 0.02 . 2 . . . . 56 PHE HB3 . 16587 1 251 . 1 1 57 57 PHE HD1 H 1 7.13 0.02 . 1 . . . . 56 PHE HD1 . 16587 1 252 . 1 1 57 57 PHE HD2 H 1 7.13 0.02 . 1 . . . . 56 PHE HD2 . 16587 1 253 . 1 1 57 57 PHE N N 15 119.21 0.2 . 1 . . . . 56 PHE N . 16587 1 254 . 1 1 58 58 SER H H 1 9 0.02 . 1 . . . . 57 SER HN . 16587 1 255 . 1 1 58 58 SER HA H 1 4.87 0.02 . 1 . . . . 57 SER HA . 16587 1 256 . 1 1 58 58 SER HB2 H 1 4.12 0.02 . 2 . . . . 57 SER HB2 . 16587 1 257 . 1 1 58 58 SER HB3 H 1 3.97 0.02 . 2 . . . . 57 SER HB3 . 16587 1 258 . 1 1 58 58 SER N N 15 119.36 0.2 . 1 . . . . 57 SER N . 16587 1 259 . 1 1 59 59 LYS HA H 1 4.16 0.02 . 1 . . . . 58 LYS HA . 16587 1 260 . 1 1 59 59 LYS HB2 H 1 1.87 0.02 . 1 . . . . 58 LYS HB2 . 16587 1 261 . 1 1 59 59 LYS HB3 H 1 1.87 0.02 . 1 . . . . 58 LYS HB3 . 16587 1 262 . 1 1 59 59 LYS HG2 H 1 1.49 0.02 . 1 . . . . 58 LYS HG2 . 16587 1 263 . 1 1 59 59 LYS HG3 H 1 1.49 0.02 . 1 . . . . 58 LYS HG3 . 16587 1 264 . 1 1 60 60 ASP H H 1 7.91 0.02 . 1 . . . . 59 ASP HN . 16587 1 265 . 1 1 60 60 ASP HA H 1 4.58 0.02 . 1 . . . . 59 ASP HA . 16587 1 266 . 1 1 60 60 ASP HB2 H 1 2.99 0.02 . 2 . . . . 59 ASP HB2 . 16587 1 267 . 1 1 60 60 ASP HB3 H 1 2.63 0.02 . 2 . . . . 59 ASP HB3 . 16587 1 268 . 1 1 60 60 ASP N N 15 115.83 0.2 . 1 . . . . 59 ASP N . 16587 1 269 . 1 1 61 61 GLY H H 1 8.07 0.02 . 1 . . . . 60 GLY HN . 16587 1 270 . 1 1 61 61 GLY HA2 H 1 4.31 0.02 . 2 . . . . 60 GLY HA1 . 16587 1 271 . 1 1 61 61 GLY HA3 H 1 3.66 0.02 . 2 . . . . 60 GLY HA2 . 16587 1 272 . 1 1 61 61 GLY N N 15 107.97 0.2 . 1 . . . . 60 GLY N . 16587 1 273 . 1 1 62 62 SER H H 1 7.84 0.02 . 1 . . . . 61 SER HN . 16587 1 274 . 1 1 62 62 SER HA H 1 4.51 0.02 . 1 . . . . 61 SER HA . 16587 1 275 . 1 1 62 62 SER HB2 H 1 3.83 0.02 . 2 . . . . 61 SER HB2 . 16587 1 276 . 1 1 62 62 SER HB3 H 1 3.74 0.02 . 2 . . . . 61 SER HB3 . 16587 1 277 . 1 1 62 62 SER N N 15 115.72 0.2 . 1 . . . . 61 SER N . 16587 1 278 . 1 1 63 63 PHE H H 1 8.16 0.02 . 1 . . . . 62 PHE HN . 16587 1 279 . 1 1 63 63 PHE HA H 1 5.59 0.02 . 1 . . . . 62 PHE HA . 16587 1 280 . 1 1 63 63 PHE HB2 H 1 2.75 0.02 . 2 . . . . 62 PHE HB2 . 16587 1 281 . 1 1 63 63 PHE HD1 H 1 7.13 0.02 . 1 . . . . 62 PHE HD1 . 16587 1 282 . 1 1 63 63 PHE HD2 H 1 7.13 0.02 . 1 . . . . 62 PHE HD2 . 16587 1 283 . 1 1 63 63 PHE N N 15 119.35 0.2 . 1 . . . . 62 PHE N . 16587 1 284 . 1 1 64 64 TYR H H 1 8.93 0.02 . 1 . . . . 63 TYR HN . 16587 1 285 . 1 1 64 64 TYR HA H 1 5.37 0.02 . 1 . . . . 63 TYR HA . 16587 1 286 . 1 1 64 64 TYR HB2 H 1 2.7 0.02 . 2 . . . . 63 TYR HB2 . 16587 1 287 . 1 1 64 64 TYR HB3 H 1 2.38 0.02 . 2 . . . . 63 TYR HB3 . 16587 1 288 . 1 1 64 64 TYR HD1 H 1 6.7 0.02 . 1 . . . . 63 TYR HD1 . 16587 1 289 . 1 1 64 64 TYR HD2 H 1 6.7 0.02 . 1 . . . . 63 TYR HD2 . 16587 1 290 . 1 1 64 64 TYR N N 15 118.66 0.2 . 1 . . . . 63 TYR N . 16587 1 291 . 1 1 65 65 LEU H H 1 8.62 0.02 . 1 . . . . 64 LEU HN . 16587 1 292 . 1 1 65 65 LEU HA H 1 4.4 0.02 . 1 . . . . 64 LEU HA . 16587 1 293 . 1 1 65 65 LEU HD11 H 1 1.04 0.02 . 2 . . . . 64 LEU HD1 . 16587 1 294 . 1 1 65 65 LEU HD12 H 1 1.04 0.02 . 2 . . . . 64 LEU HD1 . 16587 1 295 . 1 1 65 65 LEU HD13 H 1 1.04 0.02 . 2 . . . . 64 LEU HD1 . 16587 1 296 . 1 1 65 65 LEU HD21 H 1 0.83 0.02 . 2 . . . . 64 LEU HD2 . 16587 1 297 . 1 1 65 65 LEU HD22 H 1 0.83 0.02 . 2 . . . . 64 LEU HD2 . 16587 1 298 . 1 1 65 65 LEU HD23 H 1 0.83 0.02 . 2 . . . . 64 LEU HD2 . 16587 1 299 . 1 1 65 65 LEU N N 15 119.18 0.2 . 1 . . . . 64 LEU N . 16587 1 300 . 1 1 66 66 LEU H H 1 8.08 0.02 . 1 . . . . 65 LEU HN . 16587 1 301 . 1 1 66 66 LEU HA H 1 5.46 0.02 . 1 . . . . 65 LEU HA . 16587 1 302 . 1 1 66 66 LEU HB2 H 1 1.8 0.02 . 1 . . . . 65 LEU HB2 . 16587 1 303 . 1 1 66 66 LEU HB3 H 1 1.8 0.02 . 1 . . . . 65 LEU HB3 . 16587 1 304 . 1 1 66 66 LEU HD11 H 1 1.03 0.02 . 2 . . . . 65 LEU HD1 . 16587 1 305 . 1 1 66 66 LEU HD12 H 1 1.03 0.02 . 2 . . . . 65 LEU HD1 . 16587 1 306 . 1 1 66 66 LEU HD13 H 1 1.03 0.02 . 2 . . . . 65 LEU HD1 . 16587 1 307 . 1 1 66 66 LEU HD21 H 1 0.82 0.02 . 2 . . . . 65 LEU HD2 . 16587 1 308 . 1 1 66 66 LEU HD22 H 1 0.82 0.02 . 2 . . . . 65 LEU HD2 . 16587 1 309 . 1 1 66 66 LEU HD23 H 1 0.82 0.02 . 2 . . . . 65 LEU HD2 . 16587 1 310 . 1 1 66 66 LEU HG H 1 1.63 0.02 . 1 . . . . 65 LEU HG . 16587 1 311 . 1 1 66 66 LEU N N 15 121.07 0.2 . 1 . . . . 65 LEU N . 16587 1 312 . 1 1 67 67 TYR H H 1 9.18 0.02 . 1 . . . . 66 TYR HN . 16587 1 313 . 1 1 67 67 TYR HA H 1 5.31 0.02 . 1 . . . . 66 TYR HA . 16587 1 314 . 1 1 67 67 TYR HB2 H 1 2.91 0.02 . 2 . . . . 66 TYR HB2 . 16587 1 315 . 1 1 67 67 TYR HB3 H 1 2.66 0.02 . 2 . . . . 66 TYR HB3 . 16587 1 316 . 1 1 67 67 TYR HD1 H 1 7.05 0.02 . 1 . . . . 66 TYR HD1 . 16587 1 317 . 1 1 67 67 TYR HD2 H 1 7.05 0.02 . 1 . . . . 66 TYR HD2 . 16587 1 318 . 1 1 67 67 TYR HE1 H 1 6.59 0.02 . 1 . . . . 66 TYR HE1 . 16587 1 319 . 1 1 67 67 TYR HE2 H 1 6.59 0.02 . 1 . . . . 66 TYR HE2 . 16587 1 320 . 1 1 67 67 TYR N N 15 125.78 0.2 . 1 . . . . 66 TYR N . 16587 1 321 . 1 1 68 68 TYR H H 1 8.98 0.02 . 1 . . . . 67 TYR HN . 16587 1 322 . 1 1 68 68 TYR HA H 1 6.09 0.02 . 1 . . . . 67 TYR HA . 16587 1 323 . 1 1 68 68 TYR HB2 H 1 3.2 0.02 . 2 . . . . 67 TYR HB2 . 16587 1 324 . 1 1 68 68 TYR HB3 H 1 2.75 0.02 . 2 . . . . 67 TYR HB3 . 16587 1 325 . 1 1 68 68 TYR HD1 H 1 6.71 0.02 . 1 . . . . 67 TYR HD1 . 16587 1 326 . 1 1 68 68 TYR HD2 H 1 6.71 0.02 . 1 . . . . 67 TYR HD2 . 16587 1 327 . 1 1 68 68 TYR HE1 H 1 6.55 0.02 . 1 . . . . 67 TYR HE1 . 16587 1 328 . 1 1 68 68 TYR HE2 H 1 6.55 0.02 . 1 . . . . 67 TYR HE2 . 16587 1 329 . 1 1 68 68 TYR N N 15 117.75 0.2 . 1 . . . . 67 TYR N . 16587 1 330 . 1 1 69 69 THR H H 1 8.26 0.02 . 1 . . . . 68 THR HN . 16587 1 331 . 1 1 69 69 THR HA H 1 4.86 0.02 . 1 . . . . 68 THR HA . 16587 1 332 . 1 1 69 69 THR HB H 1 4.14 0.02 . 1 . . . . 68 THR HB . 16587 1 333 . 1 1 69 69 THR HG21 H 1 0.98 0.02 . 1 . . . . 68 THR HG2 . 16587 1 334 . 1 1 69 69 THR HG22 H 1 0.98 0.02 . 1 . . . . 68 THR HG2 . 16587 1 335 . 1 1 69 69 THR HG23 H 1 0.98 0.02 . 1 . . . . 68 THR HG2 . 16587 1 336 . 1 1 69 69 THR N N 15 111.4 0.2 . 1 . . . . 68 THR N . 16587 1 337 . 1 1 70 70 GLU H H 1 8.26 0.02 . 1 . . . . 69 GLU HN . 16587 1 338 . 1 1 70 70 GLU HA H 1 4.41 0.02 . 1 . . . . 69 GLU HA . 16587 1 339 . 1 1 70 70 GLU HB2 H 1 1.96 0.02 . 2 . . . . 69 GLU HB2 . 16587 1 340 . 1 1 70 70 GLU HB3 H 1 1.79 0.02 . 2 . . . . 69 GLU HB3 . 16587 1 341 . 1 1 70 70 GLU HG2 H 1 2.01 0.02 . 1 . . . . 69 GLU HG2 . 16587 1 342 . 1 1 70 70 GLU HG3 H 1 2.01 0.02 . 1 . . . . 69 GLU HG3 . 16587 1 343 . 1 1 70 70 GLU N N 15 128.88 0.2 . 1 . . . . 69 GLU N . 16587 1 344 . 1 1 71 71 PHE H H 1 8.75 0.02 . 1 . . . . 70 PHE HN . 16587 1 345 . 1 1 71 71 PHE HA H 1 4.87 0.02 . 1 . . . . 70 PHE HA . 16587 1 346 . 1 1 71 71 PHE HB3 H 1 2.78 0.02 . 2 . . . . 70 PHE HB3 . 16587 1 347 . 1 1 71 71 PHE HD1 H 1 6.25 0.02 . 1 . . . . 70 PHE HD1 . 16587 1 348 . 1 1 71 71 PHE HD2 H 1 6.25 0.02 . 1 . . . . 70 PHE HD2 . 16587 1 349 . 1 1 71 71 PHE HE1 H 1 6.25 0.02 . 1 . . . . 70 PHE HE1 . 16587 1 350 . 1 1 71 71 PHE HE2 H 1 6.25 0.02 . 1 . . . . 70 PHE HE2 . 16587 1 351 . 1 1 71 71 PHE HZ H 1 5.86 0.02 . 1 . . . . 70 PHE HZ . 16587 1 352 . 1 1 71 71 PHE N N 15 125.07 0.2 . 1 . . . . 70 PHE N . 16587 1 353 . 1 1 72 72 THR HG21 H 1 0.89 0.02 . 1 . . . . 71 THR HG2 . 16587 1 354 . 1 1 72 72 THR HG22 H 1 0.89 0.02 . 1 . . . . 71 THR HG2 . 16587 1 355 . 1 1 72 72 THR HG23 H 1 0.89 0.02 . 1 . . . . 71 THR HG2 . 16587 1 356 . 1 1 73 73 PRO HB2 H 1 2.32 0.02 . 2 . . . . 72 PRO HB2 . 16587 1 357 . 1 1 73 73 PRO HB3 H 1 2.12 0.02 . 2 . . . . 72 PRO HB3 . 16587 1 358 . 1 1 73 73 PRO HG2 H 1 1.86 0.02 . 2 . . . . 72 PRO HG2 . 16587 1 359 . 1 1 74 74 THR HG21 H 1 1.36 0.02 . 1 . . . . 73 THR HG2 . 16587 1 360 . 1 1 74 74 THR HG22 H 1 1.36 0.02 . 1 . . . . 73 THR HG2 . 16587 1 361 . 1 1 74 74 THR HG23 H 1 1.36 0.02 . 1 . . . . 73 THR HG2 . 16587 1 362 . 1 1 79 79 TYR H H 1 9.46 0.02 . 1 . . . . 78 TYR HN . 16587 1 363 . 1 1 79 79 TYR HA H 1 5.72 0.02 . 1 . . . . 78 TYR HA . 16587 1 364 . 1 1 79 79 TYR HB3 H 1 2.82 0.02 . 2 . . . . 78 TYR HB3 . 16587 1 365 . 1 1 79 79 TYR HD1 H 1 7.16 0.02 . 1 . . . . 78 TYR HD1 . 16587 1 366 . 1 1 79 79 TYR HD2 H 1 7.16 0.02 . 1 . . . . 78 TYR HD2 . 16587 1 367 . 1 1 79 79 TYR N N 15 122.6 0.2 . 1 . . . . 78 TYR N . 16587 1 368 . 1 1 80 80 ALA H H 1 8.75 0.02 . 1 . . . . 79 ALA HN . 16587 1 369 . 1 1 80 80 ALA HA H 1 5.11 0.02 . 1 . . . . 79 ALA HA . 16587 1 370 . 1 1 80 80 ALA HB1 H 1 1.24 0.02 . 1 . . . . 79 ALA HB . 16587 1 371 . 1 1 80 80 ALA HB2 H 1 1.24 0.02 . 1 . . . . 79 ALA HB . 16587 1 372 . 1 1 80 80 ALA HB3 H 1 1.24 0.02 . 1 . . . . 79 ALA HB . 16587 1 373 . 1 1 80 80 ALA N N 15 120.24 0.2 . 1 . . . . 79 ALA N . 16587 1 374 . 1 1 81 81 CYS H H 1 9.18 0.02 . 1 . . . . 80 CYS HN . 16587 1 375 . 1 1 81 81 CYS HA H 1 5.14 0.02 . 1 . . . . 80 CYS HA . 16587 1 376 . 1 1 81 81 CYS HB2 H 1 3.09 0.02 . 2 . . . . 80 CYS HB2 . 16587 1 377 . 1 1 81 81 CYS HB3 H 1 2.67 0.02 . 2 . . . . 80 CYS HB3 . 16587 1 378 . 1 1 81 81 CYS N N 15 120 0.2 . 1 . . . . 80 CYS N . 16587 1 379 . 1 1 82 82 ARG H H 1 9.41 0.02 . 1 . . . . 81 ARG HN . 16587 1 380 . 1 1 82 82 ARG HA H 1 5.41 0.02 . 1 . . . . 81 ARG HA . 16587 1 381 . 1 1 82 82 ARG HB2 H 1 1.87 0.02 . 2 . . . . 81 ARG HB2 . 16587 1 382 . 1 1 82 82 ARG HE H 1 7.37 0.02 . 1 . . . . 81 ARG HE . 16587 1 383 . 1 1 82 82 ARG N N 15 128.36 0.2 . 1 . . . . 81 ARG N . 16587 1 384 . 1 1 83 83 VAL H H 1 9.11 0.02 . 1 . . . . 82 VAL HN . 16587 1 385 . 1 1 83 83 VAL HA H 1 4.63 0.02 . 1 . . . . 82 VAL HA . 16587 1 386 . 1 1 83 83 VAL HB H 1 1.74 0.02 . 1 . . . . 82 VAL HB . 16587 1 387 . 1 1 83 83 VAL HG11 H 1 0.83 0.02 . 2 . . . . 82 VAL HG1 . 16587 1 388 . 1 1 83 83 VAL HG12 H 1 0.83 0.02 . 2 . . . . 82 VAL HG1 . 16587 1 389 . 1 1 83 83 VAL HG13 H 1 0.83 0.02 . 2 . . . . 82 VAL HG1 . 16587 1 390 . 1 1 83 83 VAL HG21 H 1 0.58 0.02 . 2 . . . . 82 VAL HG2 . 16587 1 391 . 1 1 83 83 VAL HG22 H 1 0.58 0.02 . 2 . . . . 82 VAL HG2 . 16587 1 392 . 1 1 83 83 VAL HG23 H 1 0.58 0.02 . 2 . . . . 82 VAL HG2 . 16587 1 393 . 1 1 83 83 VAL N N 15 127.38 0.2 . 1 . . . . 82 VAL N . 16587 1 394 . 1 1 84 84 ASN H H 1 8.95 0.02 . 1 . . . . 83 ASN HN . 16587 1 395 . 1 1 84 84 ASN HA H 1 5.17 0.02 . 1 . . . . 83 ASN HA . 16587 1 396 . 1 1 84 84 ASN HB2 H 1 2.81 0.02 . 2 . . . . 83 ASN HB2 . 16587 1 397 . 1 1 84 84 ASN HB3 H 1 2.37 0.02 . 2 . . . . 83 ASN HB3 . 16587 1 398 . 1 1 84 84 ASN N N 15 124.51 0.2 . 1 . . . . 83 ASN N . 16587 1 399 . 1 1 85 85 HIS H H 1 8.07 0.02 . 1 . . . . 84 HIS HN . 16587 1 400 . 1 1 85 85 HIS HA H 1 4.89 0.02 . 1 . . . . 84 HIS HA . 16587 1 401 . 1 1 85 85 HIS HB2 H 1 2.75 0.02 . 2 . . . . 84 HIS HB2 . 16587 1 402 . 1 1 85 85 HIS HB3 H 1 2.4 0.02 . 2 . . . . 84 HIS HB3 . 16587 1 403 . 1 1 85 85 HIS N N 15 123.07 0.2 . 1 . . . . 84 HIS N . 16587 1 404 . 1 1 86 86 VAL H H 1 7.69 0.02 . 1 . . . . 85 VAL HN . 16587 1 405 . 1 1 86 86 VAL HA H 1 3.96 0.02 . 1 . . . . 85 VAL HA . 16587 1 406 . 1 1 86 86 VAL HB H 1 2.07 0.02 . 1 . . . . 85 VAL HB . 16587 1 407 . 1 1 86 86 VAL HG11 H 1 0.87 0.02 . 2 . . . . 85 VAL HG1 . 16587 1 408 . 1 1 86 86 VAL HG12 H 1 0.87 0.02 . 2 . . . . 85 VAL HG1 . 16587 1 409 . 1 1 86 86 VAL HG13 H 1 0.87 0.02 . 2 . . . . 85 VAL HG1 . 16587 1 410 . 1 1 86 86 VAL N N 15 124.17 0.2 . 1 . . . . 85 VAL N . 16587 1 411 . 1 1 87 87 THR H H 1 8.96 0.02 . 1 . . . . 86 THR HN . 16587 1 412 . 1 1 87 87 THR HA H 1 4.39 0.02 . 1 . . . . 86 THR HA . 16587 1 413 . 1 1 87 87 THR HB H 1 4.45 0.02 . 1 . . . . 86 THR HB . 16587 1 414 . 1 1 87 87 THR HG21 H 1 1.42 0.02 . 1 . . . . 86 THR HG2 . 16587 1 415 . 1 1 87 87 THR HG22 H 1 1.42 0.02 . 1 . . . . 86 THR HG2 . 16587 1 416 . 1 1 87 87 THR HG23 H 1 1.42 0.02 . 1 . . . . 86 THR HG2 . 16587 1 417 . 1 1 87 87 THR N N 15 113.06 0.2 . 1 . . . . 86 THR N . 16587 1 418 . 1 1 88 88 LEU H H 1 8.02 0.02 . 1 . . . . 87 LEU HN . 16587 1 419 . 1 1 88 88 LEU HA H 1 4.96 0.02 . 1 . . . . 87 LEU HA . 16587 1 420 . 1 1 88 88 LEU HD11 H 1 0.93 0.02 . 1 . . . . 87 LEU HD1 . 16587 1 421 . 1 1 88 88 LEU HD12 H 1 0.93 0.02 . 1 . . . . 87 LEU HD1 . 16587 1 422 . 1 1 88 88 LEU HD13 H 1 0.93 0.02 . 1 . . . . 87 LEU HD1 . 16587 1 423 . 1 1 88 88 LEU HD21 H 1 0.93 0.02 . 1 . . . . 87 LEU HD2 . 16587 1 424 . 1 1 88 88 LEU HD22 H 1 0.93 0.02 . 1 . . . . 87 LEU HD2 . 16587 1 425 . 1 1 88 88 LEU HD23 H 1 0.93 0.02 . 1 . . . . 87 LEU HD2 . 16587 1 426 . 1 1 88 88 LEU N N 15 122.14 0.2 . 1 . . . . 87 LEU N . 16587 1 427 . 1 1 89 89 SER HA H 1 4.32 0.02 . 1 . . . . 88 SER HA . 16587 1 428 . 1 1 89 89 SER HB2 H 1 3.99 0.02 . 1 . . . . 88 SER HB2 . 16587 1 429 . 1 1 89 89 SER HB3 H 1 3.99 0.02 . 1 . . . . 88 SER HB3 . 16587 1 430 . 1 1 90 90 GLN H H 1 7.57 0.02 . 1 . . . . 89 GLN HN . 16587 1 431 . 1 1 90 90 GLN HA H 1 4.84 0.02 . 1 . . . . 89 GLN HA . 16587 1 432 . 1 1 90 90 GLN HB2 H 1 2.15 0.02 . 2 . . . . 89 GLN HB2 . 16587 1 433 . 1 1 90 90 GLN HB3 H 1 1.91 0.02 . 2 . . . . 89 GLN HB3 . 16587 1 434 . 1 1 90 90 GLN HG2 H 1 2.37 0.02 . 2 . . . . 89 GLN HG2 . 16587 1 435 . 1 1 90 90 GLN N N 15 118.05 0.2 . 1 . . . . 89 GLN N . 16587 1 436 . 1 1 91 91 PRO HD2 H 1 3.72 0.02 . 2 . . . . 90 PRO HD2 . 16587 1 437 . 1 1 93 93 ILE H H 1 8.42 0.02 . 1 . . . . 92 ILE HN . 16587 1 438 . 1 1 93 93 ILE HA H 1 4.89 0.02 . 1 . . . . 92 ILE HA . 16587 1 439 . 1 1 93 93 ILE HB H 1 1.73 0.02 . 1 . . . . 92 ILE HB . 16587 1 440 . 1 1 94 94 VAL H H 1 9.04 0.02 . 1 . . . . 93 VAL HN . 16587 1 441 . 1 1 94 94 VAL HA H 1 4.38 0.02 . 1 . . . . 93 VAL HA . 16587 1 442 . 1 1 94 94 VAL HB H 1 1.92 0.02 . 1 . . . . 93 VAL HB . 16587 1 443 . 1 1 94 94 VAL HG11 H 1 1.11 0.02 . 2 . . . . 93 VAL HG1 . 16587 1 444 . 1 1 94 94 VAL HG12 H 1 1.11 0.02 . 2 . . . . 93 VAL HG1 . 16587 1 445 . 1 1 94 94 VAL HG13 H 1 1.11 0.02 . 2 . . . . 93 VAL HG1 . 16587 1 446 . 1 1 94 94 VAL HG21 H 1 0.97 0.02 . 2 . . . . 93 VAL HG2 . 16587 1 447 . 1 1 94 94 VAL HG22 H 1 0.97 0.02 . 2 . . . . 93 VAL HG2 . 16587 1 448 . 1 1 94 94 VAL HG23 H 1 0.97 0.02 . 2 . . . . 93 VAL HG2 . 16587 1 449 . 1 1 94 94 VAL N N 15 128.61 0.2 . 1 . . . . 93 VAL N . 16587 1 450 . 1 1 95 95 LYS H H 1 8.79 0.02 . 1 . . . . 94 LYS HN . 16587 1 451 . 1 1 95 95 LYS N N 15 127.7 0.2 . 1 . . . . 94 LYS N . 16587 1 452 . 1 1 96 96 TRP H H 1 8.79 0.02 . 1 . . . . 95 TRP HN . 16587 1 453 . 1 1 96 96 TRP HB2 H 1 3.55 0.02 . 2 . . . . 95 TRP HB2 . 16587 1 454 . 1 1 96 96 TRP HD1 H 1 7.19 0.02 . 1 . . . . 95 TRP HD1 . 16587 1 455 . 1 1 96 96 TRP HE1 H 1 10.57 0.02 . 1 . . . . 95 TRP HE1 . 16587 1 456 . 1 1 96 96 TRP HZ3 H 1 7.55 0.02 . 1 . . . . 95 TRP HZ3 . 16587 1 457 . 1 1 96 96 TRP NE1 N 15 130.05 0.02 . 1 . . . . 95 TRP NE1 . 16587 1 458 . 1 1 97 97 ASP H H 1 8.56 0.02 . 1 . . . . 96 ASP HN . 16587 1 459 . 1 1 97 97 ASP HA H 1 4.55 0.02 . 1 . . . . 96 ASP HA . 16587 1 460 . 1 1 97 97 ASP HB2 H 1 2.78 0.02 . 2 . . . . 96 ASP HB2 . 16587 1 461 . 1 1 97 97 ASP HB3 H 1 2.53 0.02 . 2 . . . . 96 ASP HB3 . 16587 1 462 . 1 1 97 97 ASP N N 15 131.57 0.2 . 1 . . . . 96 ASP N . 16587 1 463 . 1 1 98 98 ARG H H 1 7.41 0.02 . 1 . . . . 97 ARG HN . 16587 1 stop_ save_