################################### # 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Entry_ID 2999 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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 $sample_one . 2999 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 PRO HA H 1 4.22 . . 1 . . . . . . . . 2999 1 2 . 1 1 3 3 PRO HB2 H 1 2.19 . . 2 . . . . . . . . 2999 1 3 . 1 1 3 3 PRO HB3 H 1 1.57 . . 2 . . . . . . . . 2999 1 4 . 1 1 4 4 ALA H H 1 8.7 . . 1 . . . . . . . . 2999 1 5 . 1 1 4 4 ALA HA H 1 3.97 . . 1 . . . . . . . . 2999 1 6 . 1 1 4 4 ALA HB1 H 1 1.38 . . 1 . . . . . . . . 2999 1 7 . 1 1 4 4 ALA HB2 H 1 1.38 . . 1 . . . . . . . . 2999 1 8 . 1 1 4 4 ALA HB3 H 1 1.38 . . 1 . . . . . . . . 2999 1 9 . 1 1 5 5 ASN H H 1 8.24 . . 1 . . . . . . . . 2999 1 10 . 1 1 5 5 ASN HA H 1 4.73 . . 1 . . . . . . . . 2999 1 11 . 1 1 5 5 ASN HB2 H 1 3.11 . . 2 . . . . . . . . 2999 1 12 . 1 1 5 5 ASN HB3 H 1 2.67 . . 2 . . . . . . . . 2999 1 13 . 1 1 5 5 ASN HD21 H 1 7.24 . . 2 . . . . . . . . 2999 1 14 . 1 1 5 5 ASN HD22 H 1 6.5 . . 2 . . . . . . . . 2999 1 15 . 1 1 6 6 ALA H H 1 6.97 . . 1 . . . . . . . . 2999 1 16 . 1 1 6 6 ALA HA H 1 4.56 . . 1 . . . . . . . . 2999 1 17 . 1 1 6 6 ALA HB1 H 1 .82 . . 1 . . . . . . . . 2999 1 18 . 1 1 6 6 ALA HB2 H 1 .82 . . 1 . . . . . . . . 2999 1 19 . 1 1 6 6 ALA HB3 H 1 .82 . . 1 . . . . . . . . 2999 1 20 . 1 1 7 7 VAL H H 1 8.43 . . 1 . . . . . . . . 2999 1 21 . 1 1 7 7 VAL HA H 1 3.45 . . 1 . . . . . . . . 2999 1 22 . 1 1 7 7 VAL HB H 1 1.2 . . 1 . . . . . . . . 2999 1 23 . 1 1 7 7 VAL HG11 H 1 .24 . . 2 . . . . . . . . 2999 1 24 . 1 1 7 7 VAL HG12 H 1 .24 . . 2 . . . . . . . . 2999 1 25 . 1 1 7 7 VAL HG13 H 1 .24 . . 2 . . . . . . . . 2999 1 26 . 1 1 7 7 VAL HG21 H 1 .04 . . 2 . . . . . . . . 2999 1 27 . 1 1 7 7 VAL HG22 H 1 .04 . . 2 . . . . . . . . 2999 1 28 . 1 1 7 7 VAL HG23 H 1 .04 . . 2 . . . . . . . . 2999 1 29 . 1 1 8 8 ALA H H 1 8.68 . . 1 . . . . . . . . 2999 1 30 . 1 1 8 8 ALA HA H 1 4.55 . . 1 . . . . . . . . 2999 1 31 . 1 1 8 8 ALA HB1 H 1 1.56 . . 1 . . . . . . . . 2999 1 32 . 1 1 8 8 ALA HB2 H 1 1.56 . . 1 . . . . . . . . 2999 1 33 . 1 1 8 8 ALA HB3 H 1 1.56 . . 1 . . . . . . . . 2999 1 34 . 1 1 9 9 ALA H H 1 8.43 . . 1 . . . . . . . . 2999 1 35 . 1 1 9 9 ALA HA H 1 4.13 . . 1 . . . . . . . . 2999 1 36 . 1 1 9 9 ALA HB1 H 1 1.46 . . 1 . . . . . . . . 2999 1 37 . 1 1 9 9 ALA HB2 H 1 1.46 . . 1 . . . . . . . . 2999 1 38 . 1 1 9 9 ALA HB3 H 1 1.46 . . 1 . . . . . . . . 2999 1 39 . 1 1 10 10 ASP H H 1 8.01 . . 1 . . . . . . . . 2999 1 40 . 1 1 10 10 ASP HA H 1 4.61 . . 1 . . . . . . . . 2999 1 41 . 1 1 10 10 ASP HB2 H 1 2.94 . . 2 . . . . . . . . 2999 1 42 . 1 1 10 10 ASP HB3 H 1 2.56 . . 2 . . . . . . . . 2999 1 43 . 1 1 11 11 ASP H H 1 7.49 . . 1 . . . . . . . . 2999 1 44 . 1 1 11 11 ASP HA H 1 4.53 . . 1 . . . . . . . . 2999 1 45 . 1 1 11 11 ASP HB2 H 1 3.01 . . 2 . . . . . . . . 2999 1 46 . 1 1 11 11 ASP HB3 H 1 2.88 . . 2 . . . . . . . . 2999 1 47 . 1 1 12 12 ALA H H 1 8.93 . . 1 . . . . . . . . 2999 1 48 . 1 1 12 12 ALA HA H 1 4.07 . . 1 . . . . . . . . 2999 1 49 . 1 1 12 12 ALA HB1 H 1 1.56 . . 1 . . . . . . . . 2999 1 50 . 1 1 12 12 ALA HB2 H 1 1.56 . . 1 . . . . . . . . 2999 1 51 . 1 1 12 12 ALA HB3 H 1 1.56 . . 1 . . . . . . . . 2999 1 52 . 1 1 13 13 THR H H 1 8.76 . . 1 . . . . . . . . 2999 1 53 . 1 1 13 13 THR HA H 1 4.11 . . 1 . . . . . . . . 2999 1 54 . 1 1 13 13 THR HB H 1 4.41 . . 1 . . . . . . . . 2999 1 55 . 1 1 13 13 THR HG21 H 1 1.13 . . 1 . . . . . . . . 2999 1 56 . 1 1 13 13 THR HG22 H 1 1.13 . . 1 . . . . . . . . 2999 1 57 . 1 1 13 13 THR HG23 H 1 1.13 . . 1 . . . . . . . . 2999 1 58 . 1 1 14 14 ALA H H 1 8.07 . . 1 . . . . . . . . 2999 1 59 . 1 1 14 14 ALA HA H 1 4.36 . . 1 . . . . . . . . 2999 1 60 . 1 1 14 14 ALA HB1 H 1 1.78 . . 1 . . . . . . . . 2999 1 61 . 1 1 14 14 ALA HB2 H 1 1.78 . . 1 . . . . . . . . 2999 1 62 . 1 1 14 14 ALA HB3 H 1 1.78 . . 1 . . . . . . . . 2999 1 63 . 1 1 15 15 ILE H H 1 8.47 . . 1 . . . . . . . . 2999 1 64 . 1 1 15 15 ILE HA H 1 3.91 . . 1 . . . . . . . . 2999 1 65 . 1 1 15 15 ILE HB H 1 1.88 . . 1 . . . . . . . . 2999 1 66 . 1 1 15 15 ILE HG12 H 1 1.21 . . 1 . . . . . . . . 2999 1 67 . 1 1 15 15 ILE HG13 H 1 1.21 . . 1 . . . . . . . . 2999 1 68 . 1 1 15 15 ILE HG21 H 1 .99 . . 1 . . . . . . . . 2999 1 69 . 1 1 15 15 ILE HG22 H 1 .99 . . 1 . . . . . . . . 2999 1 70 . 1 1 15 15 ILE HG23 H 1 .99 . . 1 . . . . . . . . 2999 1 71 . 1 1 15 15 ILE HD11 H 1 .9 . . 1 . . . . . . . . 2999 1 72 . 1 1 15 15 ILE HD12 H 1 .9 . . 1 . . . . . . . . 2999 1 73 . 1 1 15 15 ILE HD13 H 1 .9 . . 1 . . . . . . . . 2999 1 74 . 1 1 16 16 ALA H H 1 7.86 . . 1 . . . . . . . . 2999 1 75 . 1 1 16 16 ALA HA H 1 4.18 . . 1 . . . . . . . . 2999 1 76 . 1 1 16 16 ALA HB1 H 1 1.61 . . 1 . . . . . . . . 2999 1 77 . 1 1 16 16 ALA HB2 H 1 1.61 . . 1 . . . . . . . . 2999 1 78 . 1 1 16 16 ALA HB3 H 1 1.61 . . 1 . . . . . . . . 2999 1 79 . 1 1 17 17 LEU H H 1 8.19 . . 1 . . . . . . . . 2999 1 80 . 1 1 17 17 LEU HA H 1 4.41 . . 1 . . . . . . . . 2999 1 81 . 1 1 17 17 LEU HB2 H 1 2.34 . . 2 . . . . . . . . 2999 1 82 . 1 1 17 17 LEU HB3 H 1 2.08 . . 2 . . . . . . . . 2999 1 83 . 1 1 17 17 LEU HG H 1 2.05 . . 1 . . . . . . . . 2999 1 84 . 1 1 18 18 LYS H H 1 7.91 . . 1 . . . . . . . . 2999 1 85 . 1 1 18 18 LYS HA H 1 4.02 . . 1 . . . . . . . . 2999 1 86 . 1 1 18 18 LYS HB2 H 1 2.33 . . 2 . . . . . . . . 2999 1 87 . 1 1 18 18 LYS HB3 H 1 2.08 . . 2 . . . . . . . . 2999 1 88 . 1 1 18 18 LYS HG2 H 1 1.42 . . 1 . . . . . . . . 2999 1 89 . 1 1 18 18 LYS HG3 H 1 1.42 . . 1 . . . . . . . . 2999 1 90 . 1 1 18 18 LYS HD2 H 1 1.8 . . 1 . . . . . . . . 2999 1 91 . 1 1 18 18 LYS HD3 H 1 1.8 . . 1 . . . . . . . . 2999 1 92 . 1 1 18 18 LYS HE2 H 1 3.03 . . 1 . . . . . . . . 2999 1 93 . 1 1 18 18 LYS HE3 H 1 3.03 . . 1 . . . . . . . . 2999 1 94 . 1 1 19 19 TYR H H 1 8.4 . . 1 . . . . . . . . 2999 1 95 . 1 1 19 19 TYR HA H 1 5.1 . . 1 . . . . . . . . 2999 1 96 . 1 1 19 19 TYR HB2 H 1 3.01 . . 2 . . . . . . . . 2999 1 97 . 1 1 19 19 TYR HB3 H 1 2.6 . . 2 . . . . . . . . 2999 1 98 . 1 1 20 20 ASN H H 1 8.51 . . 1 . . . . . . . . 2999 1 99 . 1 1 20 20 ASN HA H 1 4.13 . . 1 . . . . . . . . 2999 1 100 . 1 1 20 20 ASN HB2 H 1 2.26 . . 1 . . . . . . . . 2999 1 101 . 1 1 20 20 ASN HB3 H 1 2.26 . . 1 . . . . . . . . 2999 1 102 . 1 1 20 20 ASN HD21 H 1 7.62 . . 2 . . . . . . . . 2999 1 103 . 1 1 20 20 ASN HD22 H 1 6.56 . . 2 . . . . . . . . 2999 1 104 . 1 1 21 21 GLN H H 1 8.2 . . 1 . . . . . . . . 2999 1 105 . 1 1 21 21 GLN HA H 1 3.99 . . 1 . . . . . . . . 2999 1 106 . 1 1 21 21 GLN HB2 H 1 2.45 . . 2 . . . . . . . . 2999 1 107 . 1 1 21 21 GLN HB3 H 1 2.03 . . 2 . . . . . . . . 2999 1 108 . 1 1 21 21 GLN HG2 H 1 2.45 . . 2 . . . . . . . . 2999 1 109 . 1 1 21 21 GLN HG3 H 1 2.18 . . 2 . . . . . . . . 2999 1 110 . 1 1 21 21 GLN HE21 H 1 7.78 . . 2 . . . . . . . . 2999 1 111 . 1 1 21 21 GLN HE22 H 1 7.06 . . 2 . . . . . . . . 2999 1 112 . 1 1 22 22 ASP H H 1 8.65 . . 1 . . . . . . . . 2999 1 113 . 1 1 22 22 ASP HA H 1 4.61 . . 1 . . . . . . . . 2999 1 114 . 1 1 22 22 ASP HB2 H 1 2.73 . . 2 . . . . . . . . 2999 1 115 . 1 1 22 22 ASP HB3 H 1 2.36 . . 2 . . . . . . . . 2999 1 116 . 1 1 23 23 ALA H H 1 9.74 . . 1 . . . . . . . . 2999 1 117 . 1 1 23 23 ALA HA H 1 3.87 . . 1 . . . . . . . . 2999 1 118 . 1 1 23 23 ALA HB1 H 1 1.65 . . 1 . . . . . . . . 2999 1 119 . 1 1 23 23 ALA HB2 H 1 1.65 . . 1 . . . . . . . . 2999 1 120 . 1 1 23 23 ALA HB3 H 1 1.65 . . 1 . . . . . . . . 2999 1 121 . 1 1 24 24 THR H H 1 8.41 . . 1 . . . . . . . . 2999 1 122 . 1 1 24 24 THR HA H 1 4.08 . . 1 . . . . . . . . 2999 1 123 . 1 1 24 24 THR HB H 1 4.23 . . 1 . . . . . . . . 2999 1 124 . 1 1 24 24 THR HG21 H 1 1.27 . . 1 . . . . . . . . 2999 1 125 . 1 1 24 24 THR HG22 H 1 1.27 . . 1 . . . . . . . . 2999 1 126 . 1 1 24 24 THR HG23 H 1 1.27 . . 1 . . . . . . . . 2999 1 127 . 1 1 25 25 LYS H H 1 7.57 . . 1 . . . . . . . . 2999 1 128 . 1 1 25 25 LYS HA H 1 4.46 . . 1 . . . . . . . . 2999 1 129 . 1 1 25 25 LYS HB2 H 1 2.08 . . 2 . . . . . . . . 2999 1 130 . 1 1 25 25 LYS HB3 H 1 1.64 . . 2 . . . . . . . . 2999 1 131 . 1 1 25 25 LYS HG2 H 1 1.35 . . 1 . . . . . . . . 2999 1 132 . 1 1 25 25 LYS HG3 H 1 1.35 . . 1 . . . . . . . . 2999 1 133 . 1 1 25 25 LYS HD2 H 1 1.21 . . 1 . . . . . . . . 2999 1 134 . 1 1 25 25 LYS HD3 H 1 1.21 . . 1 . . . . . . . . 2999 1 135 . 1 1 25 25 LYS HE2 H 1 2.94 . . 1 . . . . . . . . 2999 1 136 . 1 1 25 25 LYS HE3 H 1 2.94 . . 1 . . . . . . . . 2999 1 137 . 1 1 26 26 SER H H 1 7.17 . . 1 . . . . . . . . 2999 1 138 . 1 1 26 26 SER HA H 1 4.57 . . 1 . . . . . . . . 2999 1 139 . 1 1 26 26 SER HB2 H 1 5.7 . . 2 . . . . . . . . 2999 1 140 . 1 1 26 26 SER HB3 H 1 3.76 . . 2 . . . . . . . . 2999 1 141 . 1 1 27 27 GLU H H 1 8.87 . . 1 . . . . . . . . 2999 1 142 . 1 1 27 27 GLU HA H 1 4.41 . . 1 . . . . . . . . 2999 1 143 . 1 1 27 27 GLU HB2 H 1 1.87 . . 1 . . . . . . . . 2999 1 144 . 1 1 27 27 GLU HB3 H 1 1.87 . . 1 . . . . . . . . 2999 1 145 . 1 1 27 27 GLU HG2 H 1 2.54 . . 2 . . . . . . . . 2999 1 146 . 1 1 27 27 GLU HG3 H 1 2.37 . . 2 . . . . . . . . 2999 1 147 . 1 1 28 28 ARG H H 1 6.64 . . 1 . . . . . . . . 2999 1 148 . 1 1 28 28 ARG HA H 1 3.01 . . 1 . . . . . . . . 2999 1 149 . 1 1 28 28 ARG HB2 H 1 3.01 . . 2 . . . . . . . . 2999 1 150 . 1 1 28 28 ARG HB3 H 1 2.04 . . 2 . . . . . . . . 2999 1 151 . 1 1 28 28 ARG HG2 H 1 .84 . . 2 . . . . . . . . 2999 1 152 . 1 1 28 28 ARG HG3 H 1 .55 . . 2 . . . . . . . . 2999 1 153 . 1 1 28 28 ARG HD2 H 1 .55 . . 2 . . . . . . . . 2999 1 154 . 1 1 28 28 ARG HD3 H 1 .73 . . 2 . . . . . . . . 2999 1 155 . 1 1 29 29 VAL H H 1 8.17 . . 1 . . . . . . . . 2999 1 156 . 1 1 29 29 VAL HA H 1 3.38 . . 1 . . . . . . . . 2999 1 157 . 1 1 29 29 VAL HB H 1 1.85 . . 1 . . . . . . . . 2999 1 158 . 1 1 29 29 VAL HG11 H 1 .82 . . 1 . . . . . . . . 2999 1 159 . 1 1 29 29 VAL HG12 H 1 .82 . . 1 . . . . . . . . 2999 1 160 . 1 1 29 29 VAL HG13 H 1 .82 . . 1 . . . . . . . . 2999 1 161 . 1 1 29 29 VAL HG21 H 1 .82 . . 1 . . . . . . . . 2999 1 162 . 1 1 29 29 VAL HG22 H 1 .82 . . 1 . . . . . . . . 2999 1 163 . 1 1 29 29 VAL HG23 H 1 .82 . . 1 . . . . . . . . 2999 1 164 . 1 1 30 30 ALA H H 1 7.42 . . 1 . . . . . . . . 2999 1 165 . 1 1 30 30 ALA HA H 1 4.06 . . 1 . . . . . . . . 2999 1 166 . 1 1 30 30 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 2999 1 167 . 1 1 30 30 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 2999 1 168 . 1 1 30 30 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 2999 1 169 . 1 1 31 31 ALA H H 1 8.13 . . 1 . . . . . . . . 2999 1 170 . 1 1 31 31 ALA HA H 1 4.13 . . 1 . . . . . . . . 2999 1 171 . 1 1 31 31 ALA HB1 H 1 1.75 . . 1 . . . . . . . . 2999 1 172 . 1 1 31 31 ALA HB2 H 1 1.75 . . 1 . . . . . . . . 2999 1 173 . 1 1 31 31 ALA HB3 H 1 1.75 . . 1 . . . . . . . . 2999 1 174 . 1 1 32 32 ALA H H 1 7.45 . . 1 . . . . . . . . 2999 1 175 . 1 1 32 32 ALA HA H 1 3.79 . . 1 . . . . . . . . 2999 1 176 . 1 1 32 32 ALA HB1 H 1 1.34 . . 1 . . . . . . . . 2999 1 177 . 1 1 32 32 ALA HB2 H 1 1.34 . . 1 . . . . . . . . 2999 1 178 . 1 1 32 32 ALA HB3 H 1 1.34 . . 1 . . . . . . . . 2999 1 179 . 1 1 33 33 ARG H H 1 10.5 . . 1 . . . . . . . . 2999 1 180 . 1 1 33 33 ARG HA H 1 4.5 . . 1 . . . . . . . . 2999 1 181 . 1 1 33 33 ARG HB2 H 1 2.47 . . 2 . . . . . . . . 2999 1 182 . 1 1 33 33 ARG HB3 H 1 2.25 . . 2 . . . . . . . . 2999 1 183 . 1 1 33 33 ARG HG2 H 1 2.09 . . 1 . . . . . . . . 2999 1 184 . 1 1 33 33 ARG HG3 H 1 2.09 . . 1 . . . . . . . . 2999 1 185 . 1 1 34 34 PRO HA H 1 4.64 . . 1 . . . . . . . . 2999 1 186 . 1 1 34 34 PRO HB2 H 1 2.07 . . 1 . . . . . . . . 2999 1 187 . 1 1 34 34 PRO HB3 H 1 2.07 . . 1 . . . . . . . . 2999 1 188 . 1 1 34 34 PRO HD2 H 1 3.97 . . 2 . . . . . . . . 2999 1 189 . 1 1 34 34 PRO HD3 H 1 3.85 . . 2 . . . . . . . . 2999 1 190 . 1 1 35 35 GLY H H 1 8.55 . . 1 . . . . . . . . 2999 1 191 . 1 1 35 35 GLY HA2 H 1 3.61 . . 2 . . . . . . . . 2999 1 192 . 1 1 35 35 GLY HA3 H 1 4.74 . . 2 . . . . . . . . 2999 1 193 . 1 1 36 36 LEU H H 1 7.28 . . 1 . . . . . . . . 2999 1 194 . 1 1 36 36 LEU HA H 1 4.83 . . 1 . . . . . . . . 2999 1 195 . 1 1 36 36 LEU HB2 H 1 1.5 . . 1 . . . . . . . . 2999 1 196 . 1 1 36 36 LEU HB3 H 1 1.5 . . 1 . . . . . . . . 2999 1 197 . 1 1 36 36 LEU HG H 1 1.12 . . 1 . . . . . . . . 2999 1 198 . 1 1 37 37 PRO HA H 1 4.63 . . 1 . . . . . . . . 2999 1 199 . 1 1 37 37 PRO HB2 H 1 2.45 . . 2 . . . . . . . . 2999 1 200 . 1 1 37 37 PRO HB3 H 1 1.36 . . 2 . . . . . . . . 2999 1 201 . 1 1 37 37 PRO HG2 H 1 1.98 . . 1 . . . . . . . . 2999 1 202 . 1 1 37 37 PRO HG3 H 1 1.98 . . 1 . . . . . . . . 2999 1 203 . 1 1 37 37 PRO HD2 H 1 3.84 . . 2 . . . . . . . . 2999 1 204 . 1 1 37 37 PRO HD3 H 1 3.5 . . 2 . . . . . . . . 2999 1 205 . 1 1 38 38 PRO HA H 1 4.58 . . 1 . . . . . . . . 2999 1 206 . 1 1 38 38 PRO HD2 H 1 3.92 . . 2 . . . . . . . . 2999 1 207 . 1 1 38 38 PRO HD3 H 1 3.77 . . 2 . . . . . . . . 2999 1 208 . 1 1 39 39 GLU H H 1 8.94 . . 1 . . . . . . . . 2999 1 209 . 1 1 39 39 GLU HA H 1 3.63 . . 1 . . . . . . . . 2999 1 210 . 1 1 39 39 GLU HB2 H 1 1.96 . . 2 . . . . . . . . 2999 1 211 . 1 1 39 39 GLU HB3 H 1 1.86 . . 2 . . . . . . . . 2999 1 212 . 1 1 39 39 GLU HG2 H 1 2.15 . . 2 . . . . . . . . 2999 1 213 . 1 1 39 39 GLU HG3 H 1 2.05 . . 2 . . . . . . . . 2999 1 214 . 1 1 40 40 GLU H H 1 7.77 . . 1 . . . . . . . . 2999 1 215 . 1 1 40 40 GLU HA H 1 4.15 . . 1 . . . . . . . . 2999 1 216 . 1 1 40 40 GLU HB2 H 1 1.94 . . 2 . . . . . . . . 2999 1 217 . 1 1 40 40 GLU HB3 H 1 1.74 . . 2 . . . . . . . . 2999 1 218 . 1 1 40 40 GLU HG2 H 1 2.34 . . 2 . . . . . . . . 2999 1 219 . 1 1 40 40 GLU HG3 H 1 2.12 . . 2 . . . . . . . . 2999 1 220 . 1 1 41 41 GLN H H 1 7.33 . . 1 . . . . . . . . 2999 1 221 . 1 1 41 41 GLN HA H 1 3.77 . . 1 . . . . . . . . 2999 1 222 . 1 1 41 41 GLN HB2 H 1 1.7 . . 2 . . . . . . . . 2999 1 223 . 1 1 41 41 GLN HB3 H 1 .22 . . 2 . . . . . . . . 2999 1 224 . 1 1 41 41 GLN HG2 H 1 1.86 . . 2 . . . . . . . . 2999 1 225 . 1 1 41 41 GLN HG3 H 1 .05 . . 2 . . . . . . . . 2999 1 226 . 1 1 41 41 GLN HE21 H 1 6.7 . . 2 . . . . . . . . 2999 1 227 . 1 1 41 41 GLN HE22 H 1 6.5 . . 2 . . . . . . . . 2999 1 228 . 1 1 42 42 HIS H H 1 9 . . 1 . . . . . . . . 2999 1 229 . 1 1 42 42 HIS HA H 1 6.23 . . 1 . . . . . . . . 2999 1 230 . 1 1 42 42 HIS HB2 H 1 3.96 . . 2 . . . . . . . . 2999 1 231 . 1 1 42 42 HIS HB3 H 1 3.88 . . 2 . . . . . . . . 2999 1 232 . 1 1 43 43 CYS H H 1 9.22 . . 1 . . . . . . . . 2999 1 233 . 1 1 43 43 CYS HA H 1 4.82 . . 1 . . . . . . . . 2999 1 234 . 1 1 44 44 ALA H H 1 7.73 . . 1 . . . . . . . . 2999 1 235 . 1 1 44 44 ALA HA H 1 3.69 . . 1 . . . . . . . . 2999 1 236 . 1 1 44 44 ALA HB1 H 1 1.3 . . 1 . . . . . . . . 2999 1 237 . 1 1 44 44 ALA HB2 H 1 1.3 . . 1 . . . . . . . . 2999 1 238 . 1 1 44 44 ALA HB3 H 1 1.3 . . 1 . . . . . . . . 2999 1 239 . 1 1 45 45 ASN H H 1 8.13 . . 1 . . . . . . . . 2999 1 240 . 1 1 45 45 ASN HA H 1 5.06 . . 1 . . . . . . . . 2999 1 241 . 1 1 45 45 ASN HB2 H 1 3.72 . . 2 . . . . . . . . 2999 1 242 . 1 1 45 45 ASN HB3 H 1 2.83 . . 2 . . . . . . . . 2999 1 243 . 1 1 45 45 ASN HD21 H 1 7.66 . . 2 . . . . . . . . 2999 1 244 . 1 1 45 45 ASN HD22 H 1 7.24 . . 2 . . . . . . . . 2999 1 245 . 1 1 46 46 CYS H H 1 8.14 . . 1 . . . . . . . . 2999 1 246 . 1 1 46 46 CYS HA H 1 4.25 . . 1 . . . . . . . . 2999 1 247 . 1 1 47 47 GLN H H 1 8.79 . . 1 . . . . . . . . 2999 1 248 . 1 1 47 47 GLN HA H 1 4.05 . . 1 . . . . . . . . 2999 1 249 . 1 1 47 47 GLN HB2 H 1 .69 . . 1 . . . . . . . . 2999 1 250 . 1 1 47 47 GLN HB3 H 1 .69 . . 1 . . . . . . . . 2999 1 251 . 1 1 47 47 GLN HG2 H 1 1.7 . . 2 . . . . . . . . 2999 1 252 . 1 1 47 47 GLN HG3 H 1 1.61 . . 2 . . . . . . . . 2999 1 253 . 1 1 48 48 PHE H H 1 7.82 . . 1 . . . . . . . . 2999 1 254 . 1 1 48 48 PHE HA H 1 3.6 . . 1 . . . . . . . . 2999 1 255 . 1 1 48 48 PHE HB2 H 1 3.5 . . 2 . . . . . . . . 2999 1 256 . 1 1 48 48 PHE HB3 H 1 2.27 . . 2 . . . . . . . . 2999 1 257 . 1 1 50 50 GLN H H 1 8.44 . . 1 . . . . . . . . 2999 1 258 . 1 1 50 50 GLN HA H 1 4.64 . . 1 . . . . . . . . 2999 1 259 . 1 1 50 50 GLN HB2 H 1 1.85 . . 2 . . . . . . . . 2999 1 260 . 1 1 50 50 GLN HB3 H 1 1.61 . . 2 . . . . . . . . 2999 1 261 . 1 1 50 50 GLN HG2 H 1 2.3 . . 2 . . . . . . . . 2999 1 262 . 1 1 50 50 GLN HG3 H 1 2.22 . . 2 . . . . . . . . 2999 1 263 . 1 1 51 51 ALA H H 1 8.95 . . 1 . . . . . . . . 2999 1 264 . 1 1 51 51 ALA HA H 1 4.09 . . 1 . . . . . . . . 2999 1 265 . 1 1 51 51 ALA HB1 H 1 1.44 . . 1 . . . . . . . . 2999 1 266 . 1 1 51 51 ALA HB2 H 1 1.44 . . 1 . . . . . . . . 2999 1 267 . 1 1 51 51 ALA HB3 H 1 1.44 . . 1 . . . . . . . . 2999 1 268 . 1 1 52 52 ASP H H 1 8.34 . . 1 . . . . . . . . 2999 1 269 . 1 1 52 52 ASP HA H 1 4.74 . . 1 . . . . . . . . 2999 1 270 . 1 1 52 52 ASP HB2 H 1 2.73 . . 2 . . . . . . . . 2999 1 271 . 1 1 52 52 ASP HB3 H 1 2.58 . . 2 . . . . . . . . 2999 1 272 . 1 1 53 53 ALA H H 1 6.59 . . 1 . . . . . . . . 2999 1 273 . 1 1 53 53 ALA HA H 1 4.17 . . 1 . . . . . . . . 2999 1 274 . 1 1 53 53 ALA HB1 H 1 1.28 . . 1 . . . . . . . . 2999 1 275 . 1 1 53 53 ALA HB2 H 1 1.28 . . 1 . . . . . . . . 2999 1 276 . 1 1 53 53 ALA HB3 H 1 1.28 . . 1 . . . . . . . . 2999 1 277 . 1 1 54 54 ALA H H 1 8.47 . . 1 . . . . . . . . 2999 1 278 . 1 1 54 54 ALA HA H 1 4.13 . . 1 . . . . . . . . 2999 1 279 . 1 1 54 54 ALA HB1 H 1 1.26 . . 1 . . . . . . . . 2999 1 280 . 1 1 54 54 ALA HB2 H 1 1.26 . . 1 . . . . . . . . 2999 1 281 . 1 1 54 54 ALA HB3 H 1 1.26 . . 1 . . . . . . . . 2999 1 282 . 1 1 55 55 GLY H H 1 8.72 . . 1 . . . . . . . . 2999 1 283 . 1 1 55 55 GLY HA2 H 1 3.63 . . 2 . . . . . . . . 2999 1 284 . 1 1 55 55 GLY HA3 H 1 4.05 . . 2 . . . . . . . . 2999 1 285 . 1 1 56 56 ALA H H 1 7.63 . . 1 . . . . . . . . 2999 1 286 . 1 1 56 56 ALA HA H 1 4.43 . . 1 . . . . . . . . 2999 1 287 . 1 1 56 56 ALA HB1 H 1 1.61 . . 1 . . . . . . . . 2999 1 288 . 1 1 56 56 ALA HB2 H 1 1.61 . . 1 . . . . . . . . 2999 1 289 . 1 1 56 56 ALA HB3 H 1 1.61 . . 1 . . . . . . . . 2999 1 290 . 1 1 57 57 THR H H 1 9.66 . . 1 . . . . . . . . 2999 1 291 . 1 1 57 57 THR HA H 1 4.83 . . 1 . . . . . . . . 2999 1 292 . 1 1 57 57 THR HB H 1 4.93 . . 1 . . . . . . . . 2999 1 293 . 1 1 57 57 THR HG21 H 1 1.4 . . 1 . . . . . . . . 2999 1 294 . 1 1 57 57 THR HG22 H 1 1.4 . . 1 . . . . . . . . 2999 1 295 . 1 1 57 57 THR HG23 H 1 1.4 . . 1 . . . . . . . . 2999 1 296 . 1 1 58 58 ASP H H 1 8.63 . . 1 . . . . . . . . 2999 1 297 . 1 1 58 58 ASP HA H 1 4.41 . . 1 . . . . . . . . 2999 1 298 . 1 1 58 58 ASP HB2 H 1 2.73 . . 2 . . . . . . . . 2999 1 299 . 1 1 58 58 ASP HB3 H 1 2.36 . . 2 . . . . . . . . 2999 1 300 . 1 1 59 59 GLU H H 1 8.03 . . 1 . . . . . . . . 2999 1 301 . 1 1 59 59 GLU HA H 1 4.34 . . 1 . . . . . . . . 2999 1 302 . 1 1 59 59 GLU HB2 H 1 1.75 . . 2 . . . . . . . . 2999 1 303 . 1 1 59 59 GLU HB3 H 1 1.65 . . 2 . . . . . . . . 2999 1 304 . 1 1 59 59 GLU HG2 H 1 1.98 . . 1 . . . . . . . . 2999 1 305 . 1 1 59 59 GLU HG3 H 1 1.98 . . 1 . . . . . . . . 2999 1 306 . 1 1 60 60 TRP H H 1 7.22 . . 1 . . . . . . . . 2999 1 307 . 1 1 60 60 TRP HA H 1 5.62 . . 1 . . . . . . . . 2999 1 308 . 1 1 60 60 TRP HB2 H 1 3.14 . . 2 . . . . . . . . 2999 1 309 . 1 1 60 60 TRP HB3 H 1 2.98 . . 2 . . . . . . . . 2999 1 310 . 1 1 61 61 LYS H H 1 8.9 . . 1 . . . . . . . . 2999 1 311 . 1 1 61 61 LYS HA H 1 4.85 . . 1 . . . . . . . . 2999 1 312 . 1 1 61 61 LYS HB2 H 1 1.66 . . 2 . . . . . . . . 2999 1 313 . 1 1 61 61 LYS HB3 H 1 1.62 . . 2 . . . . . . . . 2999 1 314 . 1 1 61 61 LYS HG2 H 1 1.99 . . 1 . . . . . . . . 2999 1 315 . 1 1 61 61 LYS HG3 H 1 1.99 . . 1 . . . . . . . . 2999 1 316 . 1 1 62 62 GLY H H 1 7.81 . . 1 . . . . . . . . 2999 1 317 . 1 1 62 62 GLY HA2 H 1 3.58 . . 2 . . . . . . . . 2999 1 318 . 1 1 62 62 GLY HA3 H 1 4.49 . . 2 . . . . . . . . 2999 1 319 . 1 1 63 63 CYS H H 1 9.15 . . 1 . . . . . . . . 2999 1 320 . 1 1 63 63 CYS HA H 1 3.73 . . 1 . . . . . . . . 2999 1 321 . 1 1 66 66 PHE H H 1 7.35 . . 1 . . . . . . . . 2999 1 322 . 1 1 66 66 PHE HA H 1 4.97 . . 1 . . . . . . . . 2999 1 323 . 1 1 66 66 PHE HB2 H 1 2.72 . . 2 . . . . . . . . 2999 1 324 . 1 1 66 66 PHE HB3 H 1 2.32 . . 2 . . . . . . . . 2999 1 325 . 1 1 67 67 PRO HA H 1 4.39 . . 1 . . . . . . . . 2999 1 326 . 1 1 67 67 PRO HB2 H 1 2.3 . . 2 . . . . . . . . 2999 1 327 . 1 1 67 67 PRO HB3 H 1 1.95 . . 2 . . . . . . . . 2999 1 328 . 1 1 67 67 PRO HG2 H 1 2.1 . . 1 . . . . . . . . 2999 1 329 . 1 1 67 67 PRO HG3 H 1 2.1 . . 1 . . . . . . . . 2999 1 330 . 1 1 67 67 PRO HD2 H 1 3.59 . . 2 . . . . . . . . 2999 1 331 . 1 1 67 67 PRO HD3 H 1 3.37 . . 2 . . . . . . . . 2999 1 332 . 1 1 68 68 GLY H H 1 8.84 . . 1 . . . . . . . . 2999 1 333 . 1 1 68 68 GLY HA2 H 1 3.79 . . 2 . . . . . . . . 2999 1 334 . 1 1 68 68 GLY HA3 H 1 4.17 . . 2 . . . . . . . . 2999 1 335 . 1 1 69 69 LYS H H 1 7.67 . . 1 . . . . . . . . 2999 1 336 . 1 1 69 69 LYS HA H 1 5.13 . . 1 . . . . . . . . 2999 1 337 . 1 1 69 69 LYS HB2 H 1 1.88 . . 2 . . . . . . . . 2999 1 338 . 1 1 69 69 LYS HB3 H 1 1.55 . . 2 . . . . . . . . 2999 1 339 . 1 1 69 69 LYS HG2 H 1 1.33 . . 1 . . . . . . . . 2999 1 340 . 1 1 69 69 LYS HG3 H 1 1.33 . . 1 . . . . . . . . 2999 1 341 . 1 1 69 69 LYS HD2 H 1 1.55 . . 1 . . . . . . . . 2999 1 342 . 1 1 69 69 LYS HD3 H 1 1.55 . . 1 . . . . . . . . 2999 1 343 . 1 1 69 69 LYS HE2 H 1 2.98 . . 1 . . . . . . . . 2999 1 344 . 1 1 69 69 LYS HE3 H 1 2.98 . . 1 . . . . . . . . 2999 1 345 . 1 1 70 70 LEU H H 1 7.75 . . 1 . . . . . . . . 2999 1 346 . 1 1 70 70 LEU HA H 1 5.08 . . 1 . . . . . . . . 2999 1 347 . 1 1 70 70 LEU HB2 H 1 1.62 . . 2 . . . . . . . . 2999 1 348 . 1 1 70 70 LEU HB3 H 1 1.14 . . 2 . . . . . . . . 2999 1 349 . 1 1 70 70 LEU HG H 1 1.28 . . 1 . . . . . . . . 2999 1 350 . 1 1 70 70 LEU HD11 H 1 .69 . . 2 . . . . . . . . 2999 1 351 . 1 1 70 70 LEU HD12 H 1 .69 . . 2 . . . . . . . . 2999 1 352 . 1 1 70 70 LEU HD13 H 1 .69 . . 2 . . . . . . . . 2999 1 353 . 1 1 70 70 LEU HD21 H 1 .54 . . 2 . . . . . . . . 2999 1 354 . 1 1 70 70 LEU HD22 H 1 .54 . . 2 . . . . . . . . 2999 1 355 . 1 1 70 70 LEU HD23 H 1 .54 . . 2 . . . . . . . . 2999 1 356 . 1 1 71 71 ILE H H 1 9.53 . . 1 . . . . . . . . 2999 1 357 . 1 1 71 71 ILE HA H 1 4.57 . . 1 . . . . . . . . 2999 1 358 . 1 1 72 72 ASN H H 1 7.44 . . 1 . . . . . . . . 2999 1 359 . 1 1 72 72 ASN HA H 1 4.55 . . 1 . . . . . . . . 2999 1 360 . 1 1 72 72 ASN HB2 H 1 2.69 . . 2 . . . . . . . . 2999 1 361 . 1 1 72 72 ASN HB3 H 1 1.71 . . 2 . . . . . . . . 2999 1 362 . 1 1 72 72 ASN HD21 H 1 9.46 . . 2 . . . . . . . . 2999 1 363 . 1 1 72 72 ASN HD22 H 1 6.55 . . 2 . . . . . . . . 2999 1 364 . 1 1 73 73 VAL H H 1 8.44 . . 1 . . . . . . . . 2999 1 365 . 1 1 73 73 VAL HA H 1 3.82 . . 1 . . . . . . . . 2999 1 366 . 1 1 73 73 VAL HB H 1 2.15 . . 1 . . . . . . . . 2999 1 367 . 1 1 73 73 VAL HG11 H 1 1 . . 1 . . . . . . . . 2999 1 368 . 1 1 73 73 VAL HG12 H 1 1 . . 1 . . . . . . . . 2999 1 369 . 1 1 73 73 VAL HG13 H 1 1 . . 1 . . . . . . . . 2999 1 370 . 1 1 73 73 VAL HG21 H 1 1 . . 1 . . . . . . . . 2999 1 371 . 1 1 73 73 VAL HG22 H 1 1 . . 1 . . . . . . . . 2999 1 372 . 1 1 73 73 VAL HG23 H 1 1 . . 1 . . . . . . . . 2999 1 373 . 1 1 74 74 ASN H H 1 8.98 . . 1 . . . . . . . . 2999 1 374 . 1 1 74 74 ASN HA H 1 5.18 . . 1 . . . . . . . . 2999 1 375 . 1 1 74 74 ASN HB2 H 1 3.17 . . 2 . . . . . . . . 2999 1 376 . 1 1 74 74 ASN HB3 H 1 2.73 . . 2 . . . . . . . . 2999 1 377 . 1 1 74 74 ASN HD21 H 1 7.82 . . 2 . . . . . . . . 2999 1 378 . 1 1 74 74 ASN HD22 H 1 7.02 . . 2 . . . . . . . . 2999 1 379 . 1 1 75 75 GLY H H 1 8.58 . . 1 . . . . . . . . 2999 1 380 . 1 1 75 75 GLY HA2 H 1 3.9 . . 2 . . . . . . . . 2999 1 381 . 1 1 75 75 GLY HA3 H 1 4.33 . . 2 . . . . . . . . 2999 1 382 . 1 1 76 76 TRP H H 1 8.34 . . 1 . . . . . . . . 2999 1 383 . 1 1 76 76 TRP HA H 1 3.96 . . 1 . . . . . . . . 2999 1 384 . 1 1 76 76 TRP HB2 H 1 2.98 . . 2 . . . . . . . . 2999 1 385 . 1 1 76 76 TRP HB3 H 1 1.6 . . 2 . . . . . . . . 2999 1 386 . 1 1 77 77 CYS H H 1 7.61 . . 1 . . . . . . . . 2999 1 387 . 1 1 80 80 TRP H H 1 7.6 . . 1 . . . . . . . . 2999 1 388 . 1 1 80 80 TRP HA H 1 6.6 . . 1 . . . . . . . . 2999 1 389 . 1 1 80 80 TRP HB2 H 1 3.09 . . 1 . . . . . . . . 2999 1 390 . 1 1 80 80 TRP HB3 H 1 3.09 . . 1 . . . . . . . . 2999 1 391 . 1 1 81 81 THR H H 1 6.5 . . 1 . . . . . . . . 2999 1 392 . 1 1 81 81 THR HA H 1 3.99 . . 1 . . . . . . . . 2999 1 393 . 1 1 81 81 THR HB H 1 3.11 . . 1 . . . . . . . . 2999 1 394 . 1 1 81 81 THR HG21 H 1 .79 . . 1 . . . . . . . . 2999 1 395 . 1 1 81 81 THR HG22 H 1 .79 . . 1 . . . . . . . . 2999 1 396 . 1 1 81 81 THR HG23 H 1 .79 . . 1 . . . . . . . . 2999 1 397 . 1 1 82 82 LEU H H 1 7.98 . . 1 . . . . . . . . 2999 1 398 . 1 1 82 82 LEU HA H 1 3.61 . . 1 . . . . . . . . 2999 1 399 . 1 1 82 82 LEU HB2 H 1 1.64 . . 2 . . . . . . . . 2999 1 400 . 1 1 82 82 LEU HB3 H 1 1.46 . . 2 . . . . . . . . 2999 1 401 . 1 1 83 83 LYS H H 1 8.17 . . 1 . . . . . . . . 2999 1 402 . 1 1 83 83 LYS HA H 1 3.99 . . 1 . . . . . . . . 2999 1 403 . 1 1 83 83 LYS HB2 H 1 1.6 . . 2 . . . . . . . . 2999 1 404 . 1 1 83 83 LYS HB3 H 1 1.28 . . 2 . . . . . . . . 2999 1 405 . 1 1 84 84 ALA H H 1 8.37 . . 1 . . . . . . . . 2999 1 406 . 1 1 84 84 ALA HA H 1 4.36 . . 1 . . . . . . . . 2999 1 407 . 1 1 84 84 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 2999 1 408 . 1 1 84 84 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 2999 1 409 . 1 1 84 84 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 2999 1 410 . 1 1 85 85 GLY H H 1 7.9 . . 1 . . . . . . . . 2999 1 411 . 1 1 85 85 GLY HA2 H 1 3.75 . . 1 . . . . . . . . 2999 1 412 . 1 1 85 85 GLY HA3 H 1 3.75 . . 1 . . . . . . . . 2999 1 stop_ save_