################################### # 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 15830 _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' . . . 15830 1 3 '3D 1H-15N NOESY' . . . 15830 1 4 '2D 1H-1H NOESY' . . . 15830 1 5 '2D 1H-1H TOCSY' . . . 15830 1 6 '3D 1H-15N TOCSY' . . . 15830 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 $XEASY . . 15830 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 SER H H 1 8.520 0.020 . 1 . . . . 3 SER H . 15830 1 2 . 1 1 3 3 SER HA H 1 4.422 0.020 . 1 . . . . 3 SER HA . 15830 1 3 . 1 1 3 3 SER N N 15 116.257 0.400 . 1 . . . . 3 SER N . 15830 1 4 . 1 1 4 4 THR H H 1 8.319 0.020 . 1 . . . . 4 THR H . 15830 1 5 . 1 1 4 4 THR HA H 1 4.284 0.020 . 1 . . . . 4 THR HA . 15830 1 6 . 1 1 4 4 THR HB H 1 4.007 0.020 . 1 . . . . 4 THR HB . 15830 1 7 . 1 1 4 4 THR HG21 H 1 1.170 0.020 . 1 . . . . 4 THR HG1 . 15830 1 8 . 1 1 4 4 THR HG22 H 1 1.170 0.020 . 1 . . . . 4 THR HG1 . 15830 1 9 . 1 1 4 4 THR HG23 H 1 1.170 0.020 . 1 . . . . 4 THR HG1 . 15830 1 10 . 1 1 4 4 THR N N 15 116.437 0.400 . 1 . . . . 4 THR N . 15830 1 11 . 1 1 5 5 LEU H H 1 8.230 0.020 . 1 . . . . 5 LEU H . 15830 1 12 . 1 1 5 5 LEU HA H 1 4.030 0.020 . 1 . . . . 5 LEU HA . 15830 1 13 . 1 1 5 5 LEU HB2 H 1 1.249 0.020 . 2 . . . . 5 LEU HB2 . 15830 1 14 . 1 1 5 5 LEU HB3 H 1 1.419 0.020 . 2 . . . . 5 LEU HB3 . 15830 1 15 . 1 1 5 5 LEU HD11 H 1 0.792 0.020 . 2 . . . . 5 LEU HD1 . 15830 1 16 . 1 1 5 5 LEU HD12 H 1 0.792 0.020 . 2 . . . . 5 LEU HD1 . 15830 1 17 . 1 1 5 5 LEU HD13 H 1 0.792 0.020 . 2 . . . . 5 LEU HD1 . 15830 1 18 . 1 1 5 5 LEU HD21 H 1 0.720 0.020 . 2 . . . . 5 LEU HD2 . 15830 1 19 . 1 1 5 5 LEU HD22 H 1 0.720 0.020 . 2 . . . . 5 LEU HD2 . 15830 1 20 . 1 1 5 5 LEU HD23 H 1 0.720 0.020 . 2 . . . . 5 LEU HD2 . 15830 1 21 . 1 1 5 5 LEU HG H 1 1.169 0.020 . 1 . . . . 5 LEU HG . 15830 1 22 . 1 1 5 5 LEU N N 15 122.695 0.400 . 1 . . . . 5 LEU N . 15830 1 23 . 1 1 6 6 PHE H H 1 7.968 0.020 . 1 . . . . 6 PHE H . 15830 1 24 . 1 1 6 6 PHE HA H 1 4.464 0.020 . 1 . . . . 6 PHE HA . 15830 1 25 . 1 1 6 6 PHE HB2 H 1 2.962 0.020 . 2 . . . . 6 PHE HB2 . 15830 1 26 . 1 1 6 6 PHE HB3 H 1 3.185 0.020 . 2 . . . . 6 PHE HB3 . 15830 1 27 . 1 1 6 6 PHE HD1 H 1 7.187 0.020 . 1 . . . . 6 PHE HD1 . 15830 1 28 . 1 1 6 6 PHE HD2 H 1 7.187 0.020 . 1 . . . . 6 PHE HD2 . 15830 1 29 . 1 1 6 6 PHE N N 15 115.797 0.400 . 1 . . . . 6 PHE N . 15830 1 30 . 1 1 7 7 SER H H 1 8.024 0.020 . 1 . . . . 7 SER H . 15830 1 31 . 1 1 7 7 SER HA H 1 4.308 0.020 . 1 . . . . 7 SER HA . 15830 1 32 . 1 1 7 7 SER HB2 H 1 3.860 0.020 . 2 . . . . 7 SER HB2 . 15830 1 33 . 1 1 7 7 SER HB3 H 1 3.860 0.020 . 2 . . . . 7 SER HB3 . 15830 1 34 . 1 1 7 7 SER N N 15 114.836 0.400 . 1 . . . . 7 SER N . 15830 1 35 . 1 1 8 8 GLN H H 1 8.247 0.020 . 1 . . . . 8 GLN H . 15830 1 36 . 1 1 8 8 GLN HA H 1 4.279 0.020 . 1 . . . . 8 GLN HA . 15830 1 37 . 1 1 8 8 GLN HB2 H 1 1.994 0.020 . 2 . . . . 8 GLN HB2 . 15830 1 38 . 1 1 8 8 GLN HB3 H 1 2.110 0.020 . 2 . . . . 8 GLN HB3 . 15830 1 39 . 1 1 8 8 GLN HE21 H 1 7.439 0.020 . 2 . . . . 8 GLN HE21 . 15830 1 40 . 1 1 8 8 GLN HE22 H 1 7.439 0.020 . 2 . . . . 8 GLN HE22 . 15830 1 41 . 1 1 8 8 GLN HG2 H 1 2.333 0.020 . 2 . . . . 8 GLN HG2 . 15830 1 42 . 1 1 8 8 GLN HG3 H 1 2.333 0.020 . 2 . . . . 8 GLN HG3 . 15830 1 43 . 1 1 8 8 GLN N N 15 120.601 0.400 . 1 . . . . 8 GLN N . 15830 1 44 . 1 1 9 9 VAL H H 1 7.901 0.020 . 1 . . . . 9 VAL H . 15830 1 45 . 1 1 9 9 VAL HA H 1 3.944 0.020 . 1 . . . . 9 VAL HA . 15830 1 46 . 1 1 9 9 VAL HB H 1 2.049 0.020 . 1 . . . . 9 VAL HB . 15830 1 47 . 1 1 9 9 VAL HG11 H 1 0.856 0.020 . 2 . . . . 9 VAL HG1 . 15830 1 48 . 1 1 9 9 VAL HG12 H 1 0.856 0.020 . 2 . . . . 9 VAL HG1 . 15830 1 49 . 1 1 9 9 VAL HG13 H 1 0.856 0.020 . 2 . . . . 9 VAL HG1 . 15830 1 50 . 1 1 9 9 VAL HG21 H 1 0.892 0.020 . 2 . . . . 9 VAL HG2 . 15830 1 51 . 1 1 9 9 VAL HG22 H 1 0.892 0.020 . 2 . . . . 9 VAL HG2 . 15830 1 52 . 1 1 9 9 VAL HG23 H 1 0.892 0.020 . 2 . . . . 9 VAL HG2 . 15830 1 53 . 1 1 9 9 VAL N N 15 118.798 0.400 . 1 . . . . 9 VAL N . 15830 1 54 . 1 1 10 10 GLU H H 1 8.262 0.020 . 1 . . . . 10 GLU H . 15830 1 55 . 1 1 10 10 GLU HA H 1 4.086 0.020 . 1 . . . . 10 GLU HA . 15830 1 56 . 1 1 10 10 GLU HB2 H 1 1.848 0.020 . 2 . . . . 10 GLU HB2 . 15830 1 57 . 1 1 10 10 GLU HB3 H 1 1.881 0.020 . 2 . . . . 10 GLU HB3 . 15830 1 58 . 1 1 10 10 GLU HG2 H 1 2.330 0.020 . 2 . . . . 10 GLU HG2 . 15830 1 59 . 1 1 10 10 GLU HG3 H 1 2.330 0.020 . 2 . . . . 10 GLU HG3 . 15830 1 60 . 1 1 10 10 GLU N N 15 122.348 0.400 . 1 . . . . 10 GLU N . 15830 1 61 . 1 1 11 11 ASN H H 1 8.293 0.020 . 1 . . . . 11 ASN H . 15830 1 62 . 1 1 11 11 ASN HA H 1 4.513 0.020 . 1 . . . . 11 ASN HA . 15830 1 63 . 1 1 11 11 ASN HB2 H 1 2.688 0.020 . 2 . . . . 11 ASN HB2 . 15830 1 64 . 1 1 11 11 ASN HB3 H 1 2.707 0.020 . 2 . . . . 11 ASN HB3 . 15830 1 65 . 1 1 11 11 ASN HD21 H 1 7.583 0.020 . 2 . . . . 11 ASN HD21 . 15830 1 66 . 1 1 11 11 ASN HD22 H 1 7.583 0.020 . 2 . . . . 11 ASN HD22 . 15830 1 67 . 1 1 11 11 ASN N N 15 118.228 0.400 . 1 . . . . 11 ASN N . 15830 1 68 . 1 1 12 12 HIS H H 1 8.323 0.020 . 1 . . . . 12 HIS H . 15830 1 69 . 1 1 12 12 HIS HA H 1 4.571 0.020 . 1 . . . . 12 HIS HA . 15830 1 70 . 1 1 12 12 HIS HB2 H 1 3.048 0.020 . 2 . . . . 12 HIS HB2 . 15830 1 71 . 1 1 12 12 HIS HB3 H 1 3.191 0.020 . 2 . . . . 12 HIS HB3 . 15830 1 72 . 1 1 12 12 HIS HD2 H 1 7.089 0.020 . 1 . . . . 12 HIS HD2 . 15830 1 73 . 1 1 12 12 HIS N N 15 119.808 0.400 . 1 . . . . 12 HIS N . 15830 1 74 . 1 1 13 13 SER H H 1 8.176 0.020 . 1 . . . . 13 SER H . 15830 1 75 . 1 1 13 13 SER HA H 1 4.398 0.020 . 1 . . . . 13 SER HA . 15830 1 76 . 1 1 13 13 SER HB2 H 1 3.764 0.020 . 2 . . . . 13 SER HB2 . 15830 1 77 . 1 1 13 13 SER HB3 H 1 3.853 0.020 . 2 . . . . 13 SER HB3 . 15830 1 78 . 1 1 13 13 SER N N 15 115.764 0.400 . 1 . . . . 13 SER N . 15830 1 79 . 1 1 14 14 VAL H H 1 8.154 0.020 . 1 . . . . 14 VAL H . 15830 1 80 . 1 1 14 14 VAL HA H 1 4.003 0.020 . 1 . . . . 14 VAL HA . 15830 1 81 . 1 1 14 14 VAL HB H 1 2.006 0.020 . 1 . . . . 14 VAL HB . 15830 1 82 . 1 1 14 14 VAL HG11 H 1 0.806 0.020 . 2 . . . . 14 VAL HG1 . 15830 1 83 . 1 1 14 14 VAL HG12 H 1 0.806 0.020 . 2 . . . . 14 VAL HG1 . 15830 1 84 . 1 1 14 14 VAL HG13 H 1 0.806 0.020 . 2 . . . . 14 VAL HG1 . 15830 1 85 . 1 1 14 14 VAL HG21 H 1 0.806 0.020 . 2 . . . . 14 VAL HG2 . 15830 1 86 . 1 1 14 14 VAL HG22 H 1 0.806 0.020 . 2 . . . . 14 VAL HG2 . 15830 1 87 . 1 1 14 14 VAL HG23 H 1 0.806 0.020 . 2 . . . . 14 VAL HG2 . 15830 1 88 . 1 1 14 14 VAL N N 15 120.675 0.400 . 1 . . . . 14 VAL N . 15830 1 89 . 1 1 15 15 HIS H H 1 8.299 0.020 . 1 . . . . 15 HIS H . 15830 1 90 . 1 1 15 15 HIS HA H 1 4.606 0.020 . 1 . . . . 15 HIS HA . 15830 1 91 . 1 1 15 15 HIS HB2 H 1 3.033 0.020 . 2 . . . . 15 HIS HB2 . 15830 1 92 . 1 1 15 15 HIS HB3 H 1 3.144 0.020 . 2 . . . . 15 HIS HB3 . 15830 1 93 . 1 1 15 15 HIS HD2 H 1 7.049 0.020 . 1 . . . . 15 HIS HD2 . 15830 1 94 . 1 1 15 15 HIS N N 15 120.624 0.400 . 1 . . . . 15 HIS N . 15830 1 95 . 1 1 16 16 SER H H 1 8.215 0.020 . 1 . . . . 16 SER H . 15830 1 96 . 1 1 16 16 SER HA H 1 4.616 0.020 . 1 . . . . 16 SER HA . 15830 1 97 . 1 1 16 16 SER HB2 H 1 3.773 0.020 . 2 . . . . 16 SER HB2 . 15830 1 98 . 1 1 16 16 SER HB3 H 1 3.801 0.020 . 2 . . . . 16 SER HB3 . 15830 1 99 . 1 1 16 16 SER N N 15 116.218 0.400 . 1 . . . . 16 SER N . 15830 1 100 . 1 1 17 17 ASN H H 1 8.174 0.020 . 1 . . . . 17 ASN H . 15830 1 101 . 1 1 17 17 ASN HA H 1 4.186 0.020 . 1 . . . . 17 ASN HA . 15830 1 102 . 1 1 17 17 ASN HB2 H 1 2.633 0.020 . 2 . . . . 17 ASN HB2 . 15830 1 103 . 1 1 17 17 ASN HB3 H 1 2.633 0.020 . 2 . . . . 17 ASN HB3 . 15830 1 104 . 1 1 17 17 ASN HD21 H 1 7.499 0.020 . 2 . . . . 17 ASN HD21 . 15830 1 105 . 1 1 17 17 ASN HD22 H 1 7.499 0.020 . 2 . . . . 17 ASN HD22 . 15830 1 106 . 1 1 17 17 ASN N N 15 119.232 0.400 . 1 . . . . 17 ASN N . 15830 1 107 . 1 1 18 18 PHE H H 1 8.216 0.020 . 1 . . . . 18 PHE H . 15830 1 108 . 1 1 18 18 PHE HA H 1 4.496 0.020 . 1 . . . . 18 PHE HA . 15830 1 109 . 1 1 18 18 PHE HB2 H 1 2.988 0.020 . 2 . . . . 18 PHE HB2 . 15830 1 110 . 1 1 18 18 PHE HB3 H 1 3.103 0.020 . 2 . . . . 18 PHE HB3 . 15830 1 111 . 1 1 18 18 PHE HD1 H 1 7.172 0.020 . 1 . . . . 18 PHE HD1 . 15830 1 112 . 1 1 18 18 PHE HD2 H 1 7.172 0.020 . 1 . . . . 18 PHE HD2 . 15830 1 113 . 1 1 18 18 PHE HE1 H 1 7.250 0.020 . 1 . . . . 18 PHE HE1 . 15830 1 114 . 1 1 18 18 PHE HE2 H 1 7.250 0.020 . 1 . . . . 18 PHE HE2 . 15830 1 115 . 1 1 19 19 SER H H 1 8.167 0.020 . 1 . . . . 19 SER H . 15830 1 116 . 1 1 19 19 SER HA H 1 4.292 0.020 . 1 . . . . 19 SER HA . 15830 1 117 . 1 1 19 19 SER HB2 H 1 3.768 0.020 . 2 . . . . 19 SER HB2 . 15830 1 118 . 1 1 19 19 SER HB3 H 1 3.836 0.020 . 2 . . . . 19 SER HB3 . 15830 1 119 . 1 1 19 19 SER N N 15 115.898 0.400 . 1 . . . . 19 SER N . 15830 1 120 . 1 1 20 20 GLU H H 1 8.380 0.020 . 1 . . . . 20 GLU H . 15830 1 121 . 1 1 20 20 GLU HA H 1 4.136 0.020 . 1 . . . . 20 GLU HA . 15830 1 122 . 1 1 20 20 GLU HB2 H 1 1.927 0.020 . 2 . . . . 20 GLU HB2 . 15830 1 123 . 1 1 20 20 GLU HB3 H 1 2.006 0.020 . 2 . . . . 20 GLU HB3 . 15830 1 124 . 1 1 20 20 GLU HG2 H 1 2.199 0.020 . 2 . . . . 20 GLU HG2 . 15830 1 125 . 1 1 20 20 GLU HG3 H 1 2.232 0.020 . 2 . . . . 20 GLU HG3 . 15830 1 126 . 1 1 20 20 GLU N N 15 122.301 0.400 . 1 . . . . 20 GLU N . 15830 1 127 . 1 1 21 21 LYS H H 1 8.149 0.020 . 1 . . . . 21 LYS H . 15830 1 128 . 1 1 21 21 LYS HA H 1 4.170 0.020 . 1 . . . . 21 LYS HA . 15830 1 129 . 1 1 21 21 LYS HB2 H 1 1.365 0.020 . 2 . . . . 21 LYS HB2 . 15830 1 130 . 1 1 21 21 LYS HB3 H 1 1.708 0.020 . 2 . . . . 21 LYS HB3 . 15830 1 131 . 1 1 21 21 LYS HD2 H 1 2.020 0.020 . 2 . . . . 21 LYS HD2 . 15830 1 132 . 1 1 21 21 LYS HD3 H 1 1.940 0.020 . 2 . . . . 21 LYS HD3 . 15830 1 133 . 1 1 21 21 LYS HE2 H 1 2.740 0.020 . 2 . . . . 21 LYS HE2 . 15830 1 134 . 1 1 21 21 LYS HE3 H 1 2.740 0.020 . 2 . . . . 21 LYS HE3 . 15830 1 135 . 1 1 21 21 LYS HG2 H 1 1.369 0.020 . 2 . . . . 21 LYS HG2 . 15830 1 136 . 1 1 21 21 LYS HG3 H 1 1.369 0.020 . 2 . . . . 21 LYS HG3 . 15830 1 137 . 1 1 21 21 LYS N N 15 120.026 0.400 . 1 . . . . 21 LYS N . 15830 1 138 . 1 1 22 22 ASN H H 1 8.126 0.020 . 1 . . . . 22 ASN H . 15830 1 139 . 1 1 22 22 ASN HA H 1 4.571 0.020 . 1 . . . . 22 ASN HA . 15830 1 140 . 1 1 22 22 ASN HB2 H 1 2.647 0.020 . 2 . . . . 22 ASN HB2 . 15830 1 141 . 1 1 22 22 ASN HB3 H 1 2.710 0.020 . 2 . . . . 22 ASN HB3 . 15830 1 142 . 1 1 22 22 ASN HD21 H 1 7.493 0.020 . 2 . . . . 22 ASN HD21 . 15830 1 143 . 1 1 22 22 ASN HD22 H 1 7.493 0.020 . 2 . . . . 22 ASN HD22 . 15830 1 144 . 1 1 22 22 ASN N N 15 118.113 0.400 . 1 . . . . 22 ASN N . 15830 1 145 . 1 1 23 23 ALA H H 1 8.133 0.020 . 1 . . . . 23 ALA H . 15830 1 146 . 1 1 23 23 ALA HA H 1 4.109 0.020 . 1 . . . . 23 ALA HA . 15830 1 147 . 1 1 23 23 ALA HB1 H 1 1.357 0.020 . 1 . . . . 23 ALA HB . 15830 1 148 . 1 1 23 23 ALA HB2 H 1 1.357 0.020 . 1 . . . . 23 ALA HB . 15830 1 149 . 1 1 23 23 ALA HB3 H 1 1.357 0.020 . 1 . . . . 23 ALA HB . 15830 1 150 . 1 1 23 23 ALA N N 15 123.089 0.400 . 1 . . . . 23 ALA N . 15830 1 151 . 1 1 24 24 GLN H H 1 8.126 0.020 . 1 . . . . 24 GLN H . 15830 1 152 . 1 1 24 24 GLN HA H 1 4.146 0.020 . 1 . . . . 24 GLN HA . 15830 1 153 . 1 1 24 24 GLN HB2 H 1 1.991 0.020 . 2 . . . . 24 GLN HB2 . 15830 1 154 . 1 1 24 24 GLN HB3 H 1 2.043 0.020 . 2 . . . . 24 GLN HB3 . 15830 1 155 . 1 1 24 24 GLN HE21 H 1 7.485 0.020 . 2 . . . . 24 GLN HE21 . 15830 1 156 . 1 1 24 24 GLN HE22 H 1 7.485 0.020 . 2 . . . . 24 GLN HE22 . 15830 1 157 . 1 1 24 24 GLN HG2 H 1 2.332 0.020 . 2 . . . . 24 GLN HG2 . 15830 1 158 . 1 1 24 24 GLN HG3 H 1 2.295 0.020 . 2 . . . . 24 GLN HG3 . 15830 1 159 . 1 1 24 24 GLN N N 15 117.352 0.400 . 1 . . . . 24 GLN N . 15830 1 160 . 1 1 25 25 LEU H H 1 8.010 0.020 . 1 . . . . 25 LEU H . 15830 1 161 . 1 1 25 25 LEU HA H 1 4.159 0.020 . 1 . . . . 25 LEU HA . 15830 1 162 . 1 1 25 25 LEU HB2 H 1 1.640 0.020 . 2 . . . . 25 LEU HB2 . 15830 1 163 . 1 1 25 25 LEU HB3 H 1 1.640 0.020 . 2 . . . . 25 LEU HB3 . 15830 1 164 . 1 1 25 25 LEU HD11 H 1 0.879 0.020 . 2 . . . . 25 LEU HD1 . 15830 1 165 . 1 1 25 25 LEU HD12 H 1 0.879 0.020 . 2 . . . . 25 LEU HD1 . 15830 1 166 . 1 1 25 25 LEU HD13 H 1 0.879 0.020 . 2 . . . . 25 LEU HD1 . 15830 1 167 . 1 1 25 25 LEU HD21 H 1 0.812 0.020 . 2 . . . . 25 LEU HD2 . 15830 1 168 . 1 1 25 25 LEU HD22 H 1 0.812 0.020 . 2 . . . . 25 LEU HD2 . 15830 1 169 . 1 1 25 25 LEU HD23 H 1 0.812 0.020 . 2 . . . . 25 LEU HD2 . 15830 1 170 . 1 1 25 25 LEU HG H 1 1.536 0.020 . 1 . . . . 25 LEU HG . 15830 1 171 . 1 1 25 25 LEU N N 15 120.958 0.400 . 1 . . . . 25 LEU N . 15830 1 172 . 1 1 26 26 LEU H H 1 7.831 0.020 . 1 . . . . 26 LEU H . 15830 1 173 . 1 1 26 26 LEU HA H 1 4.171 0.020 . 1 . . . . 26 LEU HA . 15830 1 174 . 1 1 26 26 LEU HB2 H 1 1.566 0.020 . 2 . . . . 26 LEU HB2 . 15830 1 175 . 1 1 26 26 LEU HB3 H 1 1.566 0.020 . 2 . . . . 26 LEU HB3 . 15830 1 176 . 1 1 26 26 LEU HD11 H 1 0.832 0.020 . 2 . . . . 26 LEU HD1 . 15830 1 177 . 1 1 26 26 LEU HD12 H 1 0.832 0.020 . 2 . . . . 26 LEU HD1 . 15830 1 178 . 1 1 26 26 LEU HD13 H 1 0.832 0.020 . 2 . . . . 26 LEU HD1 . 15830 1 179 . 1 1 26 26 LEU HD21 H 1 0.794 0.020 . 2 . . . . 26 LEU HD2 . 15830 1 180 . 1 1 26 26 LEU HD22 H 1 0.794 0.020 . 2 . . . . 26 LEU HD2 . 15830 1 181 . 1 1 26 26 LEU HD23 H 1 0.794 0.020 . 2 . . . . 26 LEU HD2 . 15830 1 182 . 1 1 26 26 LEU HG H 1 1.461 0.020 . 1 . . . . 26 LEU HG . 15830 1 183 . 1 1 26 26 LEU N N 15 118.604 0.400 . 1 . . . . 26 LEU N . 15830 1 184 . 1 1 27 27 ALA H H 1 7.739 0.020 . 1 . . . . 27 ALA H . 15830 1 185 . 1 1 27 27 ALA HA H 1 4.191 0.020 . 1 . . . . 27 ALA HA . 15830 1 186 . 1 1 27 27 ALA HB1 H 1 1.232 0.020 . 1 . . . . 27 ALA HB . 15830 1 187 . 1 1 27 27 ALA HB2 H 1 1.232 0.020 . 1 . . . . 27 ALA HB . 15830 1 188 . 1 1 27 27 ALA HB3 H 1 1.232 0.020 . 1 . . . . 27 ALA HB . 15830 1 189 . 1 1 27 27 ALA N N 15 122.052 0.400 . 1 . . . . 27 ALA N . 15830 1 190 . 1 1 28 28 PHE H H 1 7.968 0.020 . 1 . . . . 28 PHE H . 15830 1 191 . 1 1 28 28 PHE HA H 1 4.546 0.020 . 1 . . . . 28 PHE HA . 15830 1 192 . 1 1 28 28 PHE HB2 H 1 2.955 0.020 . 2 . . . . 28 PHE HB2 . 15830 1 193 . 1 1 28 28 PHE HB3 H 1 3.138 0.020 . 2 . . . . 28 PHE HB3 . 15830 1 194 . 1 1 28 28 PHE HD1 H 1 7.202 0.020 . 1 . . . . 28 PHE HD1 . 15830 1 195 . 1 1 28 28 PHE HD2 H 1 7.202 0.020 . 1 . . . . 28 PHE HD2 . 15830 1 196 . 1 1 28 28 PHE HE1 H 1 7.040 0.020 . 1 . . . . 28 PHE HE1 . 15830 1 197 . 1 1 28 28 PHE HE2 H 1 7.040 0.020 . 1 . . . . 28 PHE HE2 . 15830 1 198 . 1 1 28 28 PHE N N 15 117.831 0.400 . 1 . . . . 28 PHE N . 15830 1 199 . 1 1 29 29 GLU H H 1 8.331 0.020 . 1 . . . . 29 GLU H . 15830 1 200 . 1 1 29 29 GLU HA H 1 4.195 0.020 . 1 . . . . 29 GLU HA . 15830 1 201 . 1 1 29 29 GLU HB2 H 1 1.869 0.020 . 2 . . . . 29 GLU HB2 . 15830 1 202 . 1 1 29 29 GLU HB3 H 1 1.869 0.020 . 2 . . . . 29 GLU HB3 . 15830 1 203 . 1 1 29 29 GLU HG2 H 1 2.179 0.020 . 2 . . . . 29 GLU HG2 . 15830 1 204 . 1 1 29 29 GLU HG3 H 1 2.179 0.020 . 2 . . . . 29 GLU HG3 . 15830 1 205 . 1 1 29 29 GLU N N 15 120.345 0.400 . 1 . . . . 29 GLU N . 15830 1 206 . 1 1 30 30 ASN H H 1 8.297 0.020 . 1 . . . . 30 ASN H . 15830 1 207 . 1 1 30 30 ASN HA H 1 4.623 0.020 . 1 . . . . 30 ASN HA . 15830 1 208 . 1 1 30 30 ASN HB2 H 1 2.774 0.020 . 2 . . . . 30 ASN HB2 . 15830 1 209 . 1 1 30 30 ASN HB3 H 1 2.774 0.020 . 2 . . . . 30 ASN HB3 . 15830 1 210 . 1 1 30 30 ASN HD21 H 1 7.580 0.020 . 2 . . . . 30 ASN HD21 . 15830 1 211 . 1 1 30 30 ASN HD22 H 1 7.580 0.020 . 2 . . . . 30 ASN HD22 . 15830 1 212 . 1 1 30 30 ASN N N 15 118.612 0.400 . 1 . . . . 30 ASN N . 15830 1 213 . 1 1 31 31 ASP H H 1 8.187 0.020 . 1 . . . . 31 ASP H . 15830 1 214 . 1 1 31 31 ASP HA H 1 4.504 0.020 . 1 . . . . 31 ASP HA . 15830 1 215 . 1 1 31 31 ASP HB2 H 1 2.576 0.020 . 2 . . . . 31 ASP HB2 . 15830 1 216 . 1 1 31 31 ASP HB3 H 1 2.631 0.020 . 2 . . . . 31 ASP HB3 . 15830 1 217 . 1 1 31 31 ASP N N 15 120.029 0.400 . 1 . . . . 31 ASP N . 15830 1 218 . 1 1 32 32 ASP H H 1 8.073 0.020 . 1 . . . . 32 ASP H . 15830 1 219 . 1 1 32 32 ASP HA H 1 4.294 0.020 . 1 . . . . 32 ASP HA . 15830 1 220 . 1 1 32 32 ASP HB2 H 1 2.775 0.020 . 2 . . . . 32 ASP HB2 . 15830 1 221 . 1 1 32 32 ASP HB3 H 1 2.775 0.020 . 2 . . . . 32 ASP HB3 . 15830 1 222 . 1 1 32 32 ASP N N 15 118.066 0.400 . 1 . . . . 32 ASP N . 15830 1 223 . 1 1 33 33 CYS H H 1 8.292 0.020 . 1 . . . . 33 CYS H . 15830 1 224 . 1 1 33 33 CYS HA H 1 4.750 0.020 . 1 . . . . 33 CYS HA . 15830 1 225 . 1 1 33 33 CYS HB2 H 1 2.587 0.020 . 2 . . . . 33 CYS HB2 . 15830 1 226 . 1 1 33 33 CYS HB3 H 1 2.646 0.020 . 2 . . . . 33 CYS HB3 . 15830 1 227 . 1 1 33 33 CYS N N 15 120.077 0.400 . 1 . . . . 33 CYS N . 15830 1 228 . 1 1 34 34 HIS H H 1 8.362 0.020 . 1 . . . . 34 HIS H . 15830 1 229 . 1 1 34 34 HIS HA H 1 4.655 0.020 . 1 . . . . 34 HIS HA . 15830 1 230 . 1 1 34 34 HIS HB2 H 1 3.070 0.020 . 2 . . . . 34 HIS HB2 . 15830 1 231 . 1 1 34 34 HIS HB3 H 1 3.199 0.020 . 2 . . . . 34 HIS HB3 . 15830 1 232 . 1 1 34 34 HIS HD2 H 1 7.129 0.020 . 1 . . . . 34 HIS HD2 . 15830 1 233 . 1 1 34 34 HIS N N 15 119.737 0.400 . 1 . . . . 34 HIS N . 15830 1 234 . 1 1 35 35 LEU H H 1 8.324 0.020 . 1 . . . . 35 LEU H . 15830 1 235 . 1 1 35 35 LEU HA H 1 4.515 0.020 . 1 . . . . 35 LEU HA . 15830 1 236 . 1 1 35 35 LEU HB2 H 1 1.617 0.020 . 2 . . . . 35 LEU HB2 . 15830 1 237 . 1 1 35 35 LEU HB3 H 1 1.617 0.020 . 2 . . . . 35 LEU HB3 . 15830 1 238 . 1 1 35 35 LEU HD11 H 1 0.862 0.020 . 2 . . . . 35 LEU HD1 . 15830 1 239 . 1 1 35 35 LEU HD12 H 1 0.862 0.020 . 2 . . . . 35 LEU HD1 . 15830 1 240 . 1 1 35 35 LEU HD13 H 1 0.862 0.020 . 2 . . . . 35 LEU HD1 . 15830 1 241 . 1 1 35 35 LEU HG H 1 1.439 0.020 . 1 . . . . 35 LEU HG . 15830 1 242 . 1 1 35 35 LEU N N 15 122.683 0.400 . 1 . . . . 35 LEU N . 15830 1 243 . 1 1 36 36 PRO HA H 1 4.441 0.020 . 1 . . . . 36 PRO HA . 15830 1 244 . 1 1 36 36 PRO HB2 H 1 1.909 0.020 . 2 . . . . 36 PRO HB2 . 15830 1 245 . 1 1 36 36 PRO HB3 H 1 1.960 0.020 . 2 . . . . 36 PRO HB3 . 15830 1 246 . 1 1 36 36 PRO HD2 H 1 3.830 0.020 . 2 . . . . 36 PRO HD2 . 15830 1 247 . 1 1 36 36 PRO HD3 H 1 3.780 0.020 . 2 . . . . 36 PRO HD3 . 15830 1 248 . 1 1 36 36 PRO HG2 H 1 2.220 0.020 . 2 . . . . 36 PRO HG2 . 15830 1 249 . 1 1 36 36 PRO HG3 H 1 2.190 0.020 . 2 . . . . 36 PRO HG3 . 15830 1 250 . 1 1 37 37 LEU H H 1 8.050 0.020 . 1 . . . . 37 LEU H . 15830 1 251 . 1 1 37 37 LEU HA H 1 4.179 0.020 . 1 . . . . 37 LEU HA . 15830 1 252 . 1 1 37 37 LEU HB2 H 1 1.510 0.020 . 2 . . . . 37 LEU HB2 . 15830 1 253 . 1 1 37 37 LEU HB3 H 1 1.586 0.020 . 2 . . . . 37 LEU HB3 . 15830 1 254 . 1 1 37 37 LEU HD11 H 1 0.871 0.020 . 2 . . . . 37 LEU HD1 . 15830 1 255 . 1 1 37 37 LEU HD12 H 1 0.871 0.020 . 2 . . . . 37 LEU HD1 . 15830 1 256 . 1 1 37 37 LEU HD13 H 1 0.871 0.020 . 2 . . . . 37 LEU HD1 . 15830 1 257 . 1 1 37 37 LEU HD21 H 1 0.815 0.020 . 2 . . . . 37 LEU HD2 . 15830 1 258 . 1 1 37 37 LEU HD22 H 1 0.815 0.020 . 2 . . . . 37 LEU HD2 . 15830 1 259 . 1 1 37 37 LEU HD23 H 1 0.815 0.020 . 2 . . . . 37 LEU HD2 . 15830 1 260 . 1 1 37 37 LEU N N 15 120.634 0.400 . 1 . . . . 37 LEU N . 15830 1 261 . 1 1 38 38 ALA H H 1 8.176 0.020 . 1 . . . . 38 ALA H . 15830 1 262 . 1 1 38 38 ALA HA H 1 4.272 0.020 . 1 . . . . 38 ALA HA . 15830 1 263 . 1 1 38 38 ALA HB1 H 1 1.320 0.020 . 1 . . . . 38 ALA HB . 15830 1 264 . 1 1 38 38 ALA HB2 H 1 1.320 0.020 . 1 . . . . 38 ALA HB . 15830 1 265 . 1 1 38 38 ALA HB3 H 1 1.320 0.020 . 1 . . . . 38 ALA HB . 15830 1 266 . 1 1 38 38 ALA N N 15 122.211 0.400 . 1 . . . . 38 ALA N . 15830 1 267 . 1 1 39 39 MET H H 1 8.223 0.020 . 1 . . . . 39 MET H . 15830 1 268 . 1 1 39 39 MET HA H 1 4.378 0.020 . 1 . . . . 39 MET HA . 15830 1 269 . 1 1 39 39 MET HB2 H 1 1.956 0.020 . 2 . . . . 39 MET HB2 . 15830 1 270 . 1 1 39 39 MET HB3 H 1 2.062 0.020 . 2 . . . . 39 MET HB3 . 15830 1 271 . 1 1 39 39 MET HE1 H 1 1.960 0.020 . 1 . . . . 39 MET HE . 15830 1 272 . 1 1 39 39 MET HE2 H 1 1.960 0.020 . 1 . . . . 39 MET HE . 15830 1 273 . 1 1 39 39 MET HE3 H 1 1.960 0.020 . 1 . . . . 39 MET HE . 15830 1 274 . 1 1 39 39 MET HG2 H 1 2.660 0.020 . 2 . . . . 39 MET HG2 . 15830 1 275 . 1 1 39 39 MET HG3 H 1 2.550 0.020 . 2 . . . . 39 MET HG3 . 15830 1 276 . 1 1 39 39 MET N N 15 118.148 0.400 . 1 . . . . 39 MET N . 15830 1 277 . 1 1 40 40 ILE H H 1 7.381 0.020 . 1 . . . . 40 ILE H . 15830 1 278 . 1 1 40 40 ILE HA H 1 4.009 0.020 . 1 . . . . 40 ILE HA . 15830 1 279 . 1 1 40 40 ILE HB H 1 1.790 0.020 . 1 . . . . 40 ILE HB . 15830 1 280 . 1 1 40 40 ILE HD11 H 1 0.820 0.020 . 1 . . . . 40 ILE HD1 . 15830 1 281 . 1 1 40 40 ILE HD12 H 1 0.820 0.020 . 1 . . . . 40 ILE HD1 . 15830 1 282 . 1 1 40 40 ILE HD13 H 1 0.820 0.020 . 1 . . . . 40 ILE HD1 . 15830 1 283 . 1 1 40 40 ILE HG12 H 1 1.087 0.020 . 2 . . . . 40 ILE HG12 . 15830 1 284 . 1 1 40 40 ILE HG13 H 1 1.366 0.020 . 2 . . . . 40 ILE HG13 . 15830 1 285 . 1 1 40 40 ILE N N 15 122.856 0.400 . 1 . . . . 40 ILE N . 15830 1 stop_ save_