################################### # 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 25808 _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' . . . 25808 1 3 '3D 1H-15N TOCSY' . . . 25808 1 4 '2D 1H-1H TOCSY' . . . 25808 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 N N 15 114.7400 0.0000 . 1 . . . A 1 MET N . 25808 1 2 . 1 1 2 2 LEU H H 1 8.4200 0.0000 . 1 . . . A 2 LEU H . 25808 1 3 . 1 1 2 2 LEU N N 15 126.2300 0.0000 . 1 . . . A 2 LEU N . 25808 1 4 . 1 1 3 3 ILE H H 1 8.8420 0.0000 . 1 . . . A 3 ILE H . 25808 1 5 . 1 1 3 3 ILE N N 15 120.2700 0.0000 . 1 . . . A 3 ILE N . 25808 1 6 . 1 1 4 4 LYS H H 1 8.4500 0.0000 . 1 . . . A 4 LYS H . 25808 1 7 . 1 1 4 4 LYS N N 15 118.1700 0.0000 . 1 . . . A 4 LYS N . 25808 1 8 . 1 1 5 5 VAL H H 1 8.9340 0.0000 . 1 . . . A 5 VAL H . 25808 1 9 . 1 1 5 5 VAL N N 15 121.3600 0.0000 . 1 . . . A 5 VAL N . 25808 1 10 . 1 1 6 6 LYS H H 1 8.9700 0.0000 . 1 . . . A 6 LYS H . 25808 1 11 . 1 1 6 6 LYS N N 15 128.2500 0.0000 . 1 . . . A 6 LYS N . 25808 1 12 . 1 1 7 7 THR H H 1 8.7580 0.0000 . 1 . . . A 7 THR H . 25808 1 13 . 1 1 7 7 THR N N 15 116.8780 0.0000 . 1 . . . A 7 THR N . 25808 1 14 . 1 1 8 8 LEU H H 1 9.0140 0.0000 . 1 . . . A 8 LEU H . 25808 1 15 . 1 1 8 8 LEU N N 15 121.0100 0.0000 . 1 . . . A 8 LEU N . 25808 1 16 . 1 1 9 9 THR H H 1 7.5570 0.0000 . 1 . . . A 9 THR H . 25808 1 17 . 1 1 9 9 THR N N 15 105.9480 0.0000 . 1 . . . A 9 THR N . 25808 1 18 . 1 1 10 10 GLY H H 1 7.8100 0.0000 . 1 . . . A 10 GLY H . 25808 1 19 . 1 1 10 10 GLY N N 15 109.7500 0.0000 . 1 . . . A 10 GLY N . 25808 1 20 . 1 1 11 11 LYS H H 1 8.5490 0.0000 . 1 . . . A 11 LYS H . 25808 1 21 . 1 1 11 11 LYS N N 15 121.9380 0.0000 . 1 . . . A 11 LYS N . 25808 1 22 . 1 1 12 12 GLU H H 1 8.5490 0.0000 . 1 . . . A 12 GLU H . 25808 1 23 . 1 1 12 12 GLU N N 15 124.1520 0.0000 . 1 . . . A 12 GLU N . 25808 1 24 . 1 1 13 13 ILE H H 1 9.0450 0.0000 . 1 . . . A 13 ILE H . 25808 1 25 . 1 1 13 13 ILE N N 15 124.0800 0.0000 . 1 . . . A 13 ILE N . 25808 1 26 . 1 1 14 14 GLU H H 1 8.6140 0.0000 . 1 . . . A 14 GLU H . 25808 1 27 . 1 1 14 14 GLU N N 15 126.1800 0.0000 . 1 . . . A 14 GLU N . 25808 1 28 . 1 1 16 16 ASP H H 1 8.1300 0.0000 . 1 . . . A 16 ASP H . 25808 1 29 . 1 1 16 16 ASP N N 15 124.0300 0.0000 . 1 . . . A 16 ASP N . 25808 1 30 . 1 1 17 17 ILE H H 1 9.0100 0.0000 . 1 . . . A 17 ILE H . 25808 1 31 . 1 1 17 17 ILE N N 15 116.3950 0.0000 . 1 . . . A 17 ILE N . 25808 1 32 . 1 1 20 20 THR H H 1 6.6000 0.0000 . 1 . . . A 20 THR H . 25808 1 33 . 1 1 20 20 THR N N 15 98.6800 0.0000 . 1 . . . A 20 THR N . 25808 1 34 . 1 1 21 21 ASP H H 1 7.7150 0.0000 . 1 . . . A 21 ASP H . 25808 1 35 . 1 1 21 21 ASP N N 15 123.0700 0.0000 . 1 . . . A 21 ASP N . 25808 1 36 . 1 1 22 22 LYS H H 1 8.4500 0.0000 . 1 . . . A 22 LYS H . 25808 1 37 . 1 1 22 22 LYS N N 15 119.3500 0.0000 . 1 . . . A 22 LYS N . 25808 1 38 . 1 1 23 23 VAL H H 1 9.1400 0.0000 . 1 . . . A 23 VAL H . 25808 1 39 . 1 1 23 23 VAL N N 15 125.5700 0.0000 . 1 . . . A 23 VAL N . 25808 1 40 . 1 1 24 24 GLU H H 1 8.5300 0.0000 . 1 . . . A 24 GLU H . 25808 1 41 . 1 1 24 24 GLU N N 15 117.8100 0.0000 . 1 . . . A 24 GLU N . 25808 1 42 . 1 1 25 25 ARG H H 1 7.3500 0.0000 . 1 . . . A 25 ARG H . 25808 1 43 . 1 1 25 25 ARG N N 15 118.7100 0.0000 . 1 . . . A 25 ARG N . 25808 1 44 . 1 1 26 26 ILE H H 1 7.6900 0.0000 . 1 . . . A 26 ILE H . 25808 1 45 . 1 1 26 26 ILE N N 15 120.3900 0.0000 . 1 . . . A 26 ILE N . 25808 1 46 . 1 1 27 27 LYS H H 1 7.6600 0.0000 . 1 . . . A 27 LYS H . 25808 1 47 . 1 1 27 27 LYS N N 15 116.8400 0.0000 . 1 . . . A 27 LYS N . 25808 1 48 . 1 1 28 28 GLU H H 1 7.6970 0.0000 . 1 . . . A 28 GLU H . 25808 1 49 . 1 1 28 28 GLU N N 15 121.0650 0.0000 . 1 . . . A 28 GLU N . 25808 1 50 . 1 1 29 29 ARG H H 1 7.9800 0.0000 . 1 . . . A 29 ARG H . 25808 1 51 . 1 1 29 29 ARG N N 15 120.1700 0.0000 . 1 . . . A 29 ARG N . 25808 1 52 . 1 1 30 30 VAL H H 1 8.3400 0.0000 . 1 . . . A 30 VAL H . 25808 1 53 . 1 1 30 30 VAL N N 15 121.9000 0.0000 . 1 . . . A 30 VAL N . 25808 1 54 . 1 1 32 32 GLU H H 1 7.8500 0.0000 . 1 . . . A 32 GLU H . 25808 1 55 . 1 1 32 32 GLU N N 15 119.3000 0.0000 . 1 . . . A 32 GLU N . 25808 1 56 . 1 1 33 33 LYS H H 1 7.2600 0.0000 . 1 . . . A 33 LYS H . 25808 1 57 . 1 1 33 33 LYS N N 15 115.1400 0.0000 . 1 . . . A 33 LYS N . 25808 1 58 . 1 1 34 34 GLU H H 1 8.5700 0.0000 . 1 . . . A 34 GLU H . 25808 1 59 . 1 1 34 34 GLU N N 15 115.2890 0.0000 . 1 . . . A 34 GLU N . 25808 1 60 . 1 1 35 35 GLY H H 1 8.4900 0.0000 . 1 . . . A 35 GLY H . 25808 1 61 . 1 1 35 35 GLY N N 15 108.8500 0.0000 . 1 . . . A 35 GLY N . 25808 1 62 . 1 1 36 36 ILE H H 1 6.2200 0.0000 . 1 . . . A 36 ILE H . 25808 1 63 . 1 1 36 36 ILE N N 15 120.2000 0.0000 . 1 . . . A 36 ILE N . 25808 1 64 . 1 1 39 39 GLN H H 1 8.7850 0.0000 . 1 . . . A 39 GLN H . 25808 1 65 . 1 1 39 39 GLN N N 15 114.5500 0.0000 . 1 . . . A 39 GLN N . 25808 1 66 . 1 1 40 40 GLN H H 1 7.8370 0.0000 . 1 . . . A 40 GLN H . 25808 1 67 . 1 1 40 40 GLN N N 15 116.4600 0.0000 . 1 . . . A 40 GLN N . 25808 1 68 . 1 1 41 41 GLN H H 1 7.5700 0.0000 . 1 . . . A 41 GLN H . 25808 1 69 . 1 1 41 41 GLN N N 15 118.2300 0.0000 . 1 . . . A 41 GLN N . 25808 1 70 . 1 1 42 42 ARG H H 1 8.6320 0.0000 . 1 . . . A 42 ARG H . 25808 1 71 . 1 1 42 42 ARG N N 15 122.4600 0.0000 . 1 . . . A 42 ARG N . 25808 1 72 . 1 1 43 43 LEU H H 1 8.4100 0.0000 . 1 . . . A 43 LEU H . 25808 1 73 . 1 1 43 43 LEU N N 15 123.3000 0.0000 . 1 . . . A 43 LEU N . 25808 1 74 . 1 1 44 44 ILE H H 1 9.1350 0.0000 . 1 . . . A 44 ILE H . 25808 1 75 . 1 1 44 44 ILE N N 15 123.4400 0.0000 . 1 . . . A 44 ILE N . 25808 1 76 . 1 1 45 45 TYR H H 1 8.6600 0.0000 . 1 . . . A 45 TYR H . 25808 1 77 . 1 1 45 45 TYR N N 15 125.0690 0.0000 . 1 . . . A 45 TYR N . 25808 1 78 . 1 1 46 46 SER H H 1 9.0100 0.0000 . 1 . . . A 46 SER H . 25808 1 79 . 1 1 46 46 SER N N 15 126.0300 0.0000 . 1 . . . A 46 SER N . 25808 1 80 . 1 1 47 47 GLY H H 1 8.2960 0.0000 . 1 . . . A 47 GLY H . 25808 1 81 . 1 1 47 47 GLY N N 15 103.4500 0.0000 . 1 . . . A 47 GLY N . 25808 1 82 . 1 1 48 48 LYS H H 1 7.6500 0.0000 . 1 . . . A 48 LYS H . 25808 1 83 . 1 1 48 48 LYS N N 15 120.3800 0.0000 . 1 . . . A 48 LYS N . 25808 1 84 . 1 1 49 49 GLN H H 1 8.7010 0.0000 . 1 . . . A 49 GLN H . 25808 1 85 . 1 1 49 49 GLN N N 15 123.6500 0.0000 . 1 . . . A 49 GLN N . 25808 1 86 . 1 1 50 50 MET H H 1 8.4900 0.0000 . 1 . . . A 50 MET H . 25808 1 87 . 1 1 50 50 MET N N 15 125.3600 0.0000 . 1 . . . A 50 MET N . 25808 1 88 . 1 1 51 51 ASN H H 1 8.5780 0.0000 . 1 . . . A 51 ASN H . 25808 1 89 . 1 1 51 51 ASN N N 15 122.4600 0.0000 . 1 . . . A 51 ASN N . 25808 1 90 . 1 1 52 52 ASP H H 1 8.4400 0.0000 . 1 . . . A 52 ASP H . 25808 1 91 . 1 1 52 52 ASP N N 15 123.3800 0.0000 . 1 . . . A 52 ASP N . 25808 1 92 . 1 1 53 53 GLU H H 1 8.7100 0.0000 . 1 . . . A 53 GLU H . 25808 1 93 . 1 1 53 53 GLU N N 15 114.1440 0.0000 . 1 . . . A 53 GLU N . 25808 1 94 . 1 1 54 54 LYS H H 1 7.4470 0.0000 . 1 . . . A 54 LYS H . 25808 1 95 . 1 1 54 54 LYS N N 15 120.5100 0.0000 . 1 . . . A 54 LYS N . 25808 1 96 . 1 1 55 55 THR H H 1 9.0890 0.0000 . 1 . . . A 55 THR H . 25808 1 97 . 1 1 55 55 THR N N 15 108.5080 0.0000 . 1 . . . A 55 THR N . 25808 1 98 . 1 1 56 56 ALA H H 1 8.3600 0.0000 . 1 . . . A 56 ALA H . 25808 1 99 . 1 1 56 56 ALA N N 15 121.1700 0.0000 . 1 . . . A 56 ALA N . 25808 1 100 . 1 1 57 57 ALA H H 1 8.4100 0.0000 . 1 . . . A 57 ALA H . 25808 1 101 . 1 1 57 57 ALA N N 15 119.9000 0.0000 . 1 . . . A 57 ALA N . 25808 1 102 . 1 1 58 58 ASP H H 1 7.8400 0.0000 . 1 . . . A 58 ASP H . 25808 1 103 . 1 1 58 58 ASP N N 15 120.5400 0.0000 . 1 . . . A 58 ASP N . 25808 1 104 . 1 1 59 59 TYR H H 1 7.2700 0.0000 . 1 . . . A 59 TYR H . 25808 1 105 . 1 1 59 59 TYR N N 15 116.0900 0.0000 . 1 . . . A 59 TYR N . 25808 1 106 . 1 1 60 60 LYS H H 1 7.9000 0.0000 . 1 . . . A 60 LYS H . 25808 1 107 . 1 1 60 60 LYS N N 15 115.2290 0.0000 . 1 . . . A 60 LYS N . 25808 1 108 . 1 1 61 61 ILE H H 1 7.0200 0.0000 . 1 . . . A 61 ILE H . 25808 1 109 . 1 1 61 61 ILE N N 15 118.4360 0.0000 . 1 . . . A 61 ILE N . 25808 1 110 . 1 1 62 62 LEU H H 1 7.4880 0.0000 . 1 . . . A 62 LEU H . 25808 1 111 . 1 1 62 62 LEU N N 15 125.6180 0.0000 . 1 . . . A 62 LEU N . 25808 1 112 . 1 1 63 63 GLY H H 1 8.5950 0.0000 . 1 . . . A 63 GLY H . 25808 1 113 . 1 1 63 63 GLY N N 15 107.2200 0.0000 . 1 . . . A 63 GLY N . 25808 1 114 . 1 1 64 64 GLY H H 1 9.2070 0.0000 . 1 . . . A 64 GLY H . 25808 1 115 . 1 1 64 64 GLY N N 15 113.6500 0.0000 . 1 . . . A 64 GLY N . 25808 1 116 . 1 1 65 65 SER H H 1 8.0720 0.0000 . 1 . . . A 65 SER H . 25808 1 117 . 1 1 65 65 SER N N 15 117.8700 0.0000 . 1 . . . A 65 SER N . 25808 1 118 . 1 1 66 66 VAL H H 1 8.4600 0.0000 . 1 . . . A 66 VAL H . 25808 1 119 . 1 1 66 66 VAL N N 15 122.7400 0.0000 . 1 . . . A 66 VAL N . 25808 1 120 . 1 1 67 67 LEU H H 1 9.1400 0.0000 . 1 . . . A 67 LEU H . 25808 1 121 . 1 1 67 67 LEU N N 15 127.9760 0.0000 . 1 . . . A 67 LEU N . 25808 1 122 . 1 1 68 68 HIS H H 1 9.0400 0.0000 . 1 . . . A 68 HIS H . 25808 1 123 . 1 1 68 68 HIS N N 15 119.5500 0.0000 . 1 . . . A 68 HIS N . 25808 1 124 . 1 1 69 69 LEU H H 1 8.1040 0.0000 . 1 . . . A 69 LEU H . 25808 1 125 . 1 1 69 69 LEU N N 15 123.0360 0.0000 . 1 . . . A 69 LEU N . 25808 1 126 . 1 1 70 70 VAL H H 1 8.9900 0.0000 . 1 . . . A 70 VAL H . 25808 1 127 . 1 1 70 70 VAL N N 15 125.4800 0.0000 . 1 . . . A 70 VAL N . 25808 1 128 . 1 1 71 71 LEU H H 1 8.1280 0.0000 . 1 . . . A 71 LEU H . 25808 1 129 . 1 1 71 71 LEU N N 15 121.9100 0.0000 . 1 . . . A 71 LEU N . 25808 1 130 . 1 1 72 72 ALA H H 1 8.4800 0.0000 . 1 . . . A 72 ALA H . 25808 1 131 . 1 1 72 72 ALA N N 15 126.5900 0.0000 . 1 . . . A 72 ALA N . 25808 1 132 . 1 1 73 73 LEU H H 1 8.1960 0.0000 . 1 . . . A 73 LEU H . 25808 1 133 . 1 1 73 73 LEU N N 15 121.1230 0.0000 . 1 . . . A 73 LEU N . 25808 1 134 . 1 1 74 74 ARG H H 1 8.3700 0.0000 . 1 . . . A 74 ARG H . 25808 1 135 . 1 1 74 74 ARG N N 15 122.8200 0.0000 . 1 . . . A 74 ARG N . 25808 1 136 . 1 1 75 75 GLY H H 1 8.3800 0.0000 . 1 . . . A 75 GLY H . 25808 1 137 . 1 1 75 75 GLY N N 15 111.1000 0.0000 . 1 . . . A 75 GLY N . 25808 1 138 . 1 1 76 76 GLY H H 1 7.8550 0.0000 . 1 . . . A 76 GLY H . 25808 1 139 . 1 1 76 76 GLY N N 15 115.1440 0.0000 . 1 . . . A 76 GLY N . 25808 1 140 . 2 2 1 1 GLY N N 15 119.4640 0.0000 . 1 . . . B 77 GLY N . 25808 1 141 . 2 2 2 2 GLY H H 1 8.7270 0.0000 . 1 . . . B 78 GLY H . 25808 1 142 . 2 2 2 2 GLY N N 15 113.0060 0.0000 . 1 . . . B 78 GLY N . 25808 1 143 . 2 2 3 3 ILE H H 1 8.5600 0.0000 . 1 . . . B 79 ILE H . 25808 1 144 . 2 2 3 3 ILE N N 15 122.7300 0.0000 . 1 . . . B 79 ILE N . 25808 1 145 . 2 2 4 4 ARG H H 1 8.0290 0.0000 . 1 . . . B 80 ARG H . 25808 1 146 . 2 2 4 4 ARG N N 15 119.8800 0.0000 . 1 . . . B 80 ARG N . 25808 1 147 . 2 2 5 5 LYS H H 1 8.6640 0.0000 . 1 . . . B 81 LYS H . 25808 1 148 . 2 2 5 5 LYS N N 15 119.0400 0.0000 . 1 . . . B 81 LYS N . 25808 1 149 . 2 2 6 6 THR H H 1 8.3760 0.0000 . 1 . . . B 82 THR H . 25808 1 150 . 2 2 6 6 THR N N 15 109.9500 0.0000 . 1 . . . B 82 THR N . 25808 1 151 . 2 2 7 7 ARG H H 1 8.0170 0.0000 . 1 . . . B 83 ARG H . 25808 1 152 . 2 2 7 7 ARG N N 15 120.9500 0.0000 . 1 . . . B 83 ARG N . 25808 1 153 . 2 2 8 8 GLU H H 1 7.2600 0.0000 . 1 . . . B 84 GLU H . 25808 1 154 . 2 2 8 8 GLU N N 15 118.2010 0.0000 . 1 . . . B 84 GLU N . 25808 1 155 . 2 2 9 9 THR H H 1 8.1370 0.0000 . 1 . . . B 85 THR H . 25808 1 156 . 2 2 9 9 THR N N 15 115.2740 0.0000 . 1 . . . B 85 THR N . 25808 1 157 . 2 2 10 10 GLU H H 1 8.2740 0.0000 . 1 . . . B 86 GLU H . 25808 1 158 . 2 2 10 10 GLU N N 15 115.3010 0.0000 . 1 . . . B 86 GLU N . 25808 1 159 . 2 2 11 11 ARG H H 1 7.8100 0.0000 . 1 . . . B 87 ARG H . 25808 1 160 . 2 2 11 11 ARG N N 15 120.1740 0.0000 . 1 . . . B 87 ARG N . 25808 1 161 . 2 2 12 12 LEU H H 1 8.1700 0.0000 . 1 . . . B 88 LEU H . 25808 1 162 . 2 2 12 12 LEU N N 15 120.6580 0.0000 . 1 . . . B 88 LEU N . 25808 1 163 . 2 2 13 13 ARG H H 1 7.5100 0.0000 . 1 . . . B 89 ARG H . 25808 1 164 . 2 2 13 13 ARG N N 15 116.3250 0.0000 . 1 . . . B 89 ARG N . 25808 1 165 . 2 2 14 14 ARG H H 1 7.9250 0.0000 . 1 . . . B 90 ARG H . 25808 1 166 . 2 2 14 14 ARG N N 15 117.9040 0.0000 . 1 . . . B 90 ARG N . 25808 1 167 . 2 2 15 15 GLN H H 1 8.6820 0.0000 . 1 . . . B 91 GLN H . 25808 1 168 . 2 2 15 15 GLN N N 15 118.2030 0.0000 . 1 . . . B 91 GLN N . 25808 1 169 . 2 2 17 17 LEU H H 1 7.1390 0.0000 . 1 . . . B 93 LEU H . 25808 1 170 . 2 2 17 17 LEU N N 15 119.1400 0.0000 . 1 . . . B 93 LEU N . 25808 1 171 . 2 2 18 18 GLU H H 1 8.8490 0.0000 . 1 . . . B 94 GLU H . 25808 1 172 . 2 2 18 18 GLU N N 15 120.1400 0.0000 . 1 . . . B 94 GLU N . 25808 1 173 . 2 2 19 19 VAL H H 1 7.9860 0.0000 . 1 . . . B 95 VAL H . 25808 1 174 . 2 2 19 19 VAL N N 15 119.3300 0.0000 . 1 . . . B 95 VAL N . 25808 1 175 . 2 2 20 20 PHE H H 1 8.0270 0.0000 . 1 . . . B 96 PHE H . 25808 1 176 . 2 2 20 20 PHE N N 15 115.4580 0.0000 . 1 . . . B 96 PHE N . 25808 1 177 . 2 2 21 21 TRP H H 1 7.0700 0.0000 . 1 . . . B 97 TRP H . 25808 1 178 . 2 2 21 21 TRP N N 15 120.2280 0.0000 . 1 . . . B 97 TRP N . 25808 1 179 . 2 2 22 22 GLY H H 1 8.2450 0.0000 . 1 . . . B 98 GLY H . 25808 1 180 . 2 2 22 22 GLY N N 15 108.0000 0.0000 . 1 . . . B 98 GLY N . 25808 1 181 . 2 2 23 23 GLN H H 1 7.6820 0.0000 . 1 . . . B 99 GLN H . 25808 1 182 . 2 2 23 23 GLN N N 15 119.5160 0.0000 . 1 . . . B 99 GLN N . 25808 1 183 . 2 2 24 24 ASP H H 1 7.8800 0.0000 . 1 . . . B 100 ASP H . 25808 1 184 . 2 2 24 24 ASP N N 15 114.5990 0.0000 . 1 . . . B 100 ASP N . 25808 1 185 . 2 2 25 25 HIS H H 1 8.9680 0.0000 . 1 . . . B 101 HIS H . 25808 1 186 . 2 2 25 25 HIS N N 15 126.8200 0.0000 . 1 . . . B 101 HIS N . 25808 1 187 . 2 2 26 26 LYS H H 1 7.4170 0.0000 . 1 . . . B 102 LYS H . 25808 1 188 . 2 2 26 26 LYS N N 15 119.7470 0.0000 . 1 . . . B 102 LYS N . 25808 1 189 . 2 2 27 27 VAL H H 1 8.2900 0.0000 . 1 . . . B 103 VAL H . 25808 1 190 . 2 2 27 27 VAL N N 15 120.5910 0.0000 . 1 . . . B 103 VAL N . 25808 1 191 . 2 2 28 28 ASP H H 1 7.8860 0.0000 . 1 . . . B 104 ASP H . 25808 1 192 . 2 2 28 28 ASP N N 15 119.9620 0.0000 . 1 . . . B 104 ASP N . 25808 1 193 . 2 2 29 29 PHE H H 1 8.3570 0.0000 . 1 . . . B 105 PHE H . 25808 1 194 . 2 2 29 29 PHE N N 15 123.2050 0.0000 . 1 . . . B 105 PHE N . 25808 1 195 . 2 2 30 30 ILE H H 1 7.1500 0.0000 . 1 . . . B 106 ILE H . 25808 1 196 . 2 2 30 30 ILE N N 15 122.3290 0.0000 . 1 . . . B 106 ILE N . 25808 1 197 . 2 2 31 31 LEU H H 1 9.0100 0.0000 . 1 . . . B 107 LEU H . 25808 1 198 . 2 2 31 31 LEU N N 15 123.0500 0.0000 . 1 . . . B 107 LEU N . 25808 1 199 . 2 2 32 32 GLN H H 1 6.9640 0.0000 . 1 . . . B 108 GLN H . 25808 1 200 . 2 2 32 32 GLN N N 15 114.5500 0.0000 . 1 . . . B 108 GLN N . 25808 1 201 . 2 2 33 33 ARG H H 1 7.4790 0.0000 . 1 . . . B 109 ARG H . 25808 1 202 . 2 2 33 33 ARG N N 15 116.0340 0.0000 . 1 . . . B 109 ARG N . 25808 1 203 . 2 2 34 34 GLU H H 1 8.8350 0.0000 . 1 . . . B 110 GLU H . 25808 1 204 . 2 2 34 34 GLU N N 15 117.6300 0.0000 . 1 . . . B 110 GLU N . 25808 1 205 . 2 2 36 36 TYR H H 1 8.2210 0.0000 . 1 . . . B 112 TYR H . 25808 1 206 . 2 2 36 36 TYR N N 15 119.8000 0.0000 . 1 . . . B 112 TYR N . 25808 1 207 . 2 2 37 37 CYS H H 1 8.2330 0.0000 . 1 . . . B 113 CYS H . 25808 1 208 . 2 2 37 37 CYS N N 15 118.3190 0.0000 . 1 . . . B 113 CYS N . 25808 1 209 . 2 2 38 38 ARG H H 1 7.2680 0.0000 . 1 . . . B 114 ARG H . 25808 1 210 . 2 2 38 38 ARG N N 15 114.3910 0.0000 . 1 . . . B 114 ARG N . 25808 1 211 . 2 2 39 39 ASP H H 1 8.6200 0.0000 . 1 . . . B 115 ASP H . 25808 1 212 . 2 2 39 39 ASP N N 15 122.8970 0.0000 . 1 . . . B 115 ASP N . 25808 1 213 . 2 2 40 40 ILE H H 1 6.9760 0.0000 . 1 . . . B 116 ILE H . 25808 1 214 . 2 2 40 40 ILE N N 15 116.6200 0.0000 . 1 . . . B 116 ILE N . 25808 1 215 . 2 2 41 41 ASN H H 1 7.3970 0.0000 . 1 . . . B 117 ASN H . 25808 1 216 . 2 2 41 41 ASN N N 15 124.7620 0.0000 . 1 . . . B 117 ASN N . 25808 1 217 . 2 2 42 42 GLN H H 1 7.2670 0.0000 . 1 . . . B 118 GLN H . 25808 1 218 . 2 2 42 42 GLN N N 15 114.3910 0.0000 . 1 . . . B 118 GLN N . 25808 1 219 . 2 2 43 43 LEU H H 1 8.3090 0.0000 . 1 . . . B 119 LEU H . 25808 1 220 . 2 2 43 43 LEU N N 15 121.3870 0.0000 . 1 . . . B 119 LEU N . 25808 1 221 . 2 2 44 44 SER H H 1 7.4480 0.0000 . 1 . . . B 120 SER H . 25808 1 222 . 2 2 44 44 SER N N 15 112.3050 0.0000 . 1 . . . B 120 SER N . 25808 1 223 . 2 2 45 45 GLU H H 1 7.8310 0.0000 . 1 . . . B 121 GLU H . 25808 1 224 . 2 2 45 45 GLU N N 15 120.7490 0.0000 . 1 . . . B 121 GLU N . 25808 1 225 . 2 2 46 46 ALA H H 1 7.7280 0.0000 . 1 . . . B 122 ALA H . 25808 1 226 . 2 2 46 46 ALA N N 15 119.6880 0.0000 . 1 . . . B 122 ALA N . 25808 1 227 . 2 2 47 47 LEU H H 1 8.1660 0.0000 . 1 . . . B 123 LEU H . 25808 1 228 . 2 2 47 47 LEU N N 15 119.2580 0.0000 . 1 . . . B 123 LEU N . 25808 1 229 . 2 2 48 48 LEU H H 1 7.7800 0.0000 . 1 . . . B 124 LEU H . 25808 1 230 . 2 2 48 48 LEU N N 15 121.4990 0.0000 . 1 . . . B 124 LEU N . 25808 1 231 . 2 2 49 49 SER H H 1 8.2770 0.0000 . 1 . . . B 125 SER H . 25808 1 232 . 2 2 49 49 SER N N 15 109.7420 0.0000 . 1 . . . B 125 SER N . 25808 1 233 . 2 2 50 50 LEU H H 1 7.7800 0.0000 . 1 . . . B 126 LEU H . 25808 1 234 . 2 2 50 50 LEU N N 15 121.8110 0.0000 . 1 . . . B 126 LEU N . 25808 1 235 . 2 2 51 51 ASN H H 1 7.7100 0.0000 . 1 . . . B 127 ASN H . 25808 1 236 . 2 2 51 51 ASN N N 15 122.5260 0.0000 . 1 . . . B 127 ASN N . 25808 1 237 . 2 2 52 52 PHE H H 1 9.3000 0.0000 . 1 . . . B 128 PHE H . 25808 1 238 . 2 2 52 52 PHE N N 15 128.5500 0.0000 . 1 . . . B 128 PHE N . 25808 1 stop_ save_