################################### # 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_1 _Assigned_chem_shift_list.Entry_ID 18737 _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 $SH3C_Ubi _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' . . . 18737 1 6 '2D 1H-15N HSQC' . . . 18737 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 2 2 GLN H H 1 8.9448 . . 1 . . . A 2 GLN H . 18737 1 2 . 1 1 2 2 GLN N N 15 122.4081 . . 1 . . . A 2 GLN N . 18737 1 3 . 1 1 3 3 ILE H H 1 8.2994 . . 1 . . . A 3 ILE H . 18737 1 4 . 1 1 3 3 ILE N N 15 114.6145 . . 1 . . . A 3 ILE N . 18737 1 5 . 1 1 4 4 PHE H H 1 8.5789 . . 1 . . . A 4 PHE H . 18737 1 6 . 1 1 4 4 PHE N N 15 118.3794 . . 1 . . . A 4 PHE N . 18737 1 7 . 1 1 5 5 VAL H H 1 9.2955 . . 1 . . . A 5 VAL H . 18737 1 8 . 1 1 5 5 VAL N N 15 120.9537 . . 1 . . . A 5 VAL N . 18737 1 9 . 1 1 6 6 LYS H H 1 8.8790 . . 1 . . . A 6 LYS H . 18737 1 10 . 1 1 6 6 LYS N N 15 127.4473 . . 1 . . . A 6 LYS N . 18737 1 11 . 1 1 7 7 THR H H 1 8.7443 . . 1 . . . A 7 THR H . 18737 1 12 . 1 1 7 7 THR N N 15 115.2994 . . 1 . . . A 7 THR N . 18737 1 13 . 1 1 8 8 LEU H H 1 9.0338 . . 1 . . . A 8 LEU H . 18737 1 14 . 1 1 8 8 LEU N N 15 120.6847 . . 1 . . . A 8 LEU N . 18737 1 15 . 1 1 9 9 THR H H 1 7.6694 . . 1 . . . A 9 THR H . 18737 1 16 . 1 1 9 9 THR N N 15 105.7486 . . 1 . . . A 9 THR N . 18737 1 17 . 1 1 10 10 GLY H H 1 7.8333 . . 1 . . . A 10 GLY H . 18737 1 18 . 1 1 10 10 GLY N N 15 108.8100 . . 1 . . . A 10 GLY N . 18737 1 19 . 1 1 11 11 LYS H H 1 7.2590 . . 1 . . . A 11 LYS H . 18737 1 20 . 1 1 11 11 LYS N N 15 121.3827 . . 1 . . . A 11 LYS N . 18737 1 21 . 1 1 12 12 THR H H 1 8.6514 . . 1 . . . A 12 THR H . 18737 1 22 . 1 1 12 12 THR N N 15 120.2782 . . 1 . . . A 12 THR N . 18737 1 23 . 1 1 13 13 ILE H H 1 9.5403 . . 1 . . . A 13 ILE H . 18737 1 24 . 1 1 13 13 ILE N N 15 127.4773 . . 1 . . . A 13 ILE N . 18737 1 25 . 1 1 14 14 THR H H 1 8.7501 . . 1 . . . A 14 THR H . 18737 1 26 . 1 1 14 14 THR N N 15 121.6128 . . 1 . . . A 14 THR N . 18737 1 27 . 1 1 15 15 LEU H H 1 8.7291 . . 1 . . . A 15 LEU H . 18737 1 28 . 1 1 15 15 LEU N N 15 124.9464 . . 1 . . . A 15 LEU N . 18737 1 29 . 1 1 16 16 GLU H H 1 8.1408 . . 1 . . . A 16 GLU H . 18737 1 30 . 1 1 16 16 GLU N N 15 122.2266 . . 1 . . . A 16 GLU N . 18737 1 31 . 1 1 17 17 VAL H H 1 8.9415 . . 1 . . . A 17 VAL H . 18737 1 32 . 1 1 17 17 VAL N N 15 117.2847 . . 1 . . . A 17 VAL N . 18737 1 33 . 1 1 18 18 GLU H H 1 8.6590 . . 1 . . . A 18 GLU H . 18737 1 34 . 1 1 18 18 GLU N N 15 118.9969 . . 1 . . . A 18 GLU N . 18737 1 35 . 1 1 20 20 SER H H 1 7.0348 . . 1 . . . A 20 SER H . 18737 1 36 . 1 1 20 20 SER N N 15 103.0798 . . 1 . . . A 20 SER N . 18737 1 37 . 1 1 21 21 ASP H H 1 8.0026 . . 1 . . . A 21 ASP H . 18737 1 38 . 1 1 21 21 ASP N N 15 123.1342 . . 1 . . . A 21 ASP N . 18737 1 39 . 1 1 22 22 THR H H 1 7.8934 . . 1 . . . A 22 THR H . 18737 1 40 . 1 1 22 22 THR N N 15 108.6843 . . 1 . . . A 22 THR N . 18737 1 41 . 1 1 23 23 ILE H H 1 8.5431 . . 1 . . . A 23 ILE H . 18737 1 42 . 1 1 23 23 ILE N N 15 120.9355 . . 1 . . . A 23 ILE N . 18737 1 43 . 1 1 24 24 GLU H H 1 9.7600 . . 1 . . . A 24 GLU H . 18737 1 44 . 1 1 24 24 GLU N N 15 120.8300 . . 1 . . . A 24 GLU N . 18737 1 45 . 1 1 25 25 ASN H H 1 7.9266 . . 1 . . . A 25 ASN H . 18737 1 46 . 1 1 25 25 ASN N N 15 121.0258 . . 1 . . . A 25 ASN N . 18737 1 47 . 1 1 26 26 VAL H H 1 8.1034 . . 1 . . . A 26 VAL H . 18737 1 48 . 1 1 26 26 VAL N N 15 121.8280 . . 1 . . . A 26 VAL N . 18737 1 49 . 1 1 27 27 LYS H H 1 8.5770 . . 1 . . . A 27 LYS H . 18737 1 50 . 1 1 27 27 LYS N N 15 118.6414 . . 1 . . . A 27 LYS N . 18737 1 51 . 1 1 28 28 ALA H H 1 8.0553 . . 1 . . . A 28 ALA H . 18737 1 52 . 1 1 28 28 ALA N N 15 123.5655 . . 1 . . . A 28 ALA N . 18737 1 53 . 1 1 29 29 LYS H H 1 7.8725 . . 1 . . . A 29 LYS H . 18737 1 54 . 1 1 29 29 LYS N N 15 119.9100 . . 1 . . . A 29 LYS N . 18737 1 55 . 1 1 30 30 ILE H H 1 8.2621 . . 1 . . . A 30 ILE H . 18737 1 56 . 1 1 30 30 ILE N N 15 120.9373 . . 1 . . . A 30 ILE N . 18737 1 57 . 1 1 31 31 GLN H H 1 8.5719 . . 1 . . . A 31 GLN H . 18737 1 58 . 1 1 31 31 GLN N N 15 123.2502 . . 1 . . . A 31 GLN N . 18737 1 59 . 1 1 32 32 ASP H H 1 8.0515 . . 1 . . . A 32 ASP H . 18737 1 60 . 1 1 32 32 ASP N N 15 119.4684 . . 1 . . . A 32 ASP N . 18737 1 61 . 1 1 33 33 LYS H H 1 7.4472 . . 1 . . . A 33 LYS H . 18737 1 62 . 1 1 33 33 LYS N N 15 115.1571 . . 1 . . . A 33 LYS N . 18737 1 63 . 1 1 34 34 GLU H H 1 8.7186 . . 1 . . . A 34 GLU H . 18737 1 64 . 1 1 34 34 GLU N N 15 113.8562 . . 1 . . . A 34 GLU N . 18737 1 65 . 1 1 35 35 GLY H H 1 8.5074 . . 1 . . . A 35 GLY H . 18737 1 66 . 1 1 35 35 GLY N N 15 108.5514 . . 1 . . . A 35 GLY N . 18737 1 67 . 1 1 36 36 ILE H H 1 6.1470 . . 1 . . . A 36 ILE H . 18737 1 68 . 1 1 36 36 ILE N N 15 119.9428 . . 1 . . . A 36 ILE N . 18737 1 69 . 1 1 39 39 ASP H H 1 8.5402 . . 1 . . . A 39 ASP H . 18737 1 70 . 1 1 39 39 ASP N N 15 113.2284 . . 1 . . . A 39 ASP N . 18737 1 71 . 1 1 40 40 GLN H H 1 7.7606 . . 1 . . . A 40 GLN H . 18737 1 72 . 1 1 40 40 GLN N N 15 116.6036 . . 1 . . . A 40 GLN N . 18737 1 73 . 1 1 41 41 GLN H H 1 7.4382 . . 1 . . . A 41 GLN H . 18737 1 74 . 1 1 41 41 GLN N N 15 117.2361 . . 1 . . . A 41 GLN N . 18737 1 75 . 1 1 42 42 ARG H H 1 8.3812 . . 1 . . . A 42 ARG H . 18737 1 76 . 1 1 42 42 ARG N N 15 122.2528 . . 1 . . . A 42 ARG N . 18737 1 77 . 1 1 43 43 LEU H H 1 8.8726 . . 1 . . . A 43 LEU H . 18737 1 78 . 1 1 43 43 LEU N N 15 123.9388 . . 1 . . . A 43 LEU N . 18737 1 79 . 1 1 44 44 ILE H H 1 9.1468 . . 1 . . . A 44 ILE H . 18737 1 80 . 1 1 44 44 ILE N N 15 122.1256 . . 1 . . . A 44 ILE N . 18737 1 81 . 1 1 45 45 PHE H H 1 8.8948 . . 1 . . . A 45 PHE H . 18737 1 82 . 1 1 45 45 PHE N N 15 125.5274 . . 1 . . . A 45 PHE N . 18737 1 83 . 1 1 46 46 ALA H H 1 9.0332 . . 1 . . . A 46 ALA H . 18737 1 84 . 1 1 46 46 ALA N N 15 132.6456 . . 1 . . . A 46 ALA N . 18737 1 85 . 1 1 47 47 GLY H H 1 8.2649 . . 1 . . . A 47 GLY H . 18737 1 86 . 1 1 47 47 GLY N N 15 102.8015 . . 1 . . . A 47 GLY N . 18737 1 87 . 1 1 48 48 LYS H H 1 7.9559 . . 1 . . . A 48 LYS H . 18737 1 88 . 1 1 48 48 LYS N N 15 121.1413 . . 1 . . . A 48 LYS N . 18737 1 89 . 1 1 49 49 GLN H H 1 8.6928 . . 1 . . . A 49 GLN H . 18737 1 90 . 1 1 49 49 GLN N N 15 122.7375 . . 1 . . . A 49 GLN N . 18737 1 91 . 1 1 50 50 LEU H H 1 8.5753 . . 1 . . . A 50 LEU H . 18737 1 92 . 1 1 50 50 LEU N N 15 125.5798 . . 1 . . . A 50 LEU N . 18737 1 93 . 1 1 51 51 GLU H H 1 8.4063 . . 1 . . . A 51 GLU H . 18737 1 94 . 1 1 51 51 GLU N N 15 122.9845 . . 1 . . . A 51 GLU N . 18737 1 95 . 1 1 52 52 ASP H H 1 8.1631 . . 1 . . . A 52 ASP H . 18737 1 96 . 1 1 52 52 ASP N N 15 120.1416 . . 1 . . . A 52 ASP N . 18737 1 97 . 1 1 53 53 GLY H H 1 8.2896 . . 1 . . . A 53 GLY H . 18737 1 98 . 1 1 53 53 GLY N N 15 108.2205 . . 1 . . . A 53 GLY N . 18737 1 99 . 1 1 54 54 ARG H H 1 7.4866 . . 1 . . . A 54 ARG H . 18737 1 100 . 1 1 54 54 ARG N N 15 119.0530 . . 1 . . . A 54 ARG N . 18737 1 101 . 1 1 55 55 THR H H 1 8.8328 . . 1 . . . A 55 THR H . 18737 1 102 . 1 1 55 55 THR N N 15 108.4789 . . 1 . . . A 55 THR N . 18737 1 103 . 1 1 56 56 LEU H H 1 8.1408 . . 1 . . . A 56 LEU H . 18737 1 104 . 1 1 56 56 LEU N N 15 117.7305 . . 1 . . . A 56 LEU N . 18737 1 105 . 1 1 57 57 SER H H 1 8.4930 . . 1 . . . A 57 SER H . 18737 1 106 . 1 1 57 57 SER N N 15 113.1746 . . 1 . . . A 57 SER N . 18737 1 107 . 1 1 58 58 ASP H H 1 7.9372 . . 1 . . . A 58 ASP H . 18737 1 108 . 1 1 58 58 ASP N N 15 124.1764 . . 1 . . . A 58 ASP N . 18737 1 109 . 1 1 59 59 TYR H H 1 7.2638 . . 1 . . . A 59 TYR H . 18737 1 110 . 1 1 59 59 TYR N N 15 115.4261 . . 1 . . . A 59 TYR N . 18737 1 111 . 1 1 60 60 ASN H H 1 8.1553 . . 1 . . . A 60 ASN H . 18737 1 112 . 1 1 60 60 ASN N N 15 115.6408 . . 1 . . . A 60 ASN N . 18737 1 113 . 1 1 61 61 ILE H H 1 7.2292 . . 1 . . . A 61 ILE H . 18737 1 114 . 1 1 61 61 ILE N N 15 118.5366 . . 1 . . . A 61 ILE N . 18737 1 115 . 1 1 62 62 GLN H H 1 7.6317 . . 1 . . . A 62 GLN H . 18737 1 116 . 1 1 62 62 GLN N N 15 124.6124 . . 1 . . . A 62 GLN N . 18737 1 117 . 1 1 63 63 LYS H H 1 8.4954 . . 1 . . . A 63 LYS H . 18737 1 118 . 1 1 63 63 LYS N N 15 120.1902 . . 1 . . . A 63 LYS N . 18737 1 119 . 1 1 64 64 GLU H H 1 9.3024 . . 1 . . . A 64 GLU H . 18737 1 120 . 1 1 64 64 GLU N N 15 114.2524 . . 1 . . . A 64 GLU N . 18737 1 121 . 1 1 65 65 SER H H 1 7.6544 . . 1 . . . A 65 SER H . 18737 1 122 . 1 1 65 65 SER N N 15 114.5864 . . 1 . . . A 65 SER N . 18737 1 123 . 1 1 66 66 THR H H 1 8.7349 . . 1 . . . A 66 THR H . 18737 1 124 . 1 1 66 66 THR N N 15 117.1762 . . 1 . . . A 66 THR N . 18737 1 125 . 1 1 67 67 LEU H H 1 9.3593 . . 1 . . . A 67 LEU H . 18737 1 126 . 1 1 67 67 LEU N N 15 127.1517 . . 1 . . . A 67 LEU N . 18737 1 127 . 1 1 68 68 HIS H H 1 9.1107 . . 1 . . . A 68 HIS H . 18737 1 128 . 1 1 68 68 HIS N N 15 118.4916 . . 1 . . . A 68 HIS N . 18737 1 129 . 1 1 69 69 LEU H H 1 8.7212 . . 1 . . . A 69 LEU H . 18737 1 130 . 1 1 69 69 LEU N N 15 125.2486 . . 1 . . . A 69 LEU N . 18737 1 131 . 1 1 70 70 VAL H H 1 9.1909 . . 1 . . . A 70 VAL H . 18737 1 132 . 1 1 70 70 VAL N N 15 126.5641 . . 1 . . . A 70 VAL N . 18737 1 133 . 1 1 71 71 LEU H H 1 8.0650 . . 1 . . . A 71 LEU H . 18737 1 134 . 1 1 71 71 LEU N N 15 123.1267 . . 1 . . . A 71 LEU N . 18737 1 135 . 1 1 72 72 ARG H H 1 8.7372 . . 1 . . . A 72 ARG H . 18737 1 136 . 1 1 72 72 ARG N N 15 123.5758 . . 1 . . . A 72 ARG N . 18737 1 137 . 1 1 73 73 LEU H H 1 8.2879 . . 1 . . . A 73 LEU H . 18737 1 138 . 1 1 73 73 LEU N N 15 123.5444 . . 1 . . . A 73 LEU N . 18737 1 139 . 1 1 74 74 ARG H H 1 8.4863 . . 1 . . . A 74 ARG H . 18737 1 140 . 1 1 74 74 ARG N N 15 121.6203 . . 1 . . . A 74 ARG N . 18737 1 141 . 1 1 75 75 GLY H H 1 8.4793 . . 1 . . . A 75 GLY H . 18737 1 142 . 1 1 75 75 GLY N N 15 109.8653 . . 1 . . . A 75 GLY N . 18737 1 143 . 1 1 76 76 GLY H H 1 8.2384 . . 1 . . . A 76 GLY H . 18737 1 144 . 1 1 76 76 GLY N N 15 114.9027 . . 1 . . . A 76 GLY N . 18737 1 145 . 2 2 1 1 ALA H H 1 8.6328 . . 1 . . . . 2 ALA HN . 18737 1 146 . 2 2 1 1 ALA N N 15 124.1283 . . 1 . . . . 2 ALA N . 18737 1 147 . 2 2 2 2 MET H H 1 8.5585 . . 1 . . . . 3 MET HN . 18737 1 148 . 2 2 2 2 MET N N 15 120.1743 . . 1 . . . . 3 MET N . 18737 1 149 . 2 2 3 3 GLY H H 1 8.5005 . . 1 . . . . 4 GLY HN . 18737 1 150 . 2 2 3 3 GLY N N 15 110.9082 . . 1 . . . . 4 GLY N . 18737 1 151 . 2 2 4 4 ALA H H 1 8.1156 . . 1 . . . B 5 ALA HN . 18737 1 152 . 2 2 4 4 ALA N N 15 123.6538 . . 1 . . . B 5 ALA N . 18737 1 153 . 2 2 5 5 LYS H H 1 8.3652 . . 1 . . . B 6 LYS H . 18737 1 154 . 2 2 5 5 LYS N N 15 121.2177 . . 1 . . . B 6 LYS N . 18737 1 155 . 2 2 6 6 GLU H H 1 8.5647 . . 1 . . . B 7 GLU H . 18737 1 156 . 2 2 6 6 GLU N N 15 121.3999 . . 1 . . . B 7 GLU N . 18737 1 157 . 2 2 7 7 TYR H H 1 8.7635 . . 1 . . . B 8 TYR H . 18737 1 158 . 2 2 7 7 TYR N N 15 119.2981 . . 1 . . . B 8 TYR N . 18737 1 159 . 2 2 8 8 CYS H H 1 9.4202 . . 1 . . . B 9 CYS H . 18737 1 160 . 2 2 8 8 CYS N N 15 115.2946 . . 1 . . . B 9 CYS N . 18737 1 161 . 2 2 9 9 ARG H H 1 9.0894 . . 1 . . . B 10 ARG H . 18737 1 162 . 2 2 9 9 ARG N N 15 122.6532 . . 1 . . . B 10 ARG N . 18737 1 163 . 2 2 10 10 THR H H 1 9.1378 . . 1 . . . B 11 THR H . 18737 1 164 . 2 2 10 10 THR N N 15 118.0559 . . 1 . . . B 11 THR N . 18737 1 165 . 2 2 11 11 LEU H H 1 9.2656 . . 1 . . . B 12 LEU H . 18737 1 166 . 2 2 11 11 LEU N N 15 124.8191 . . 1 . . . B 12 LEU N . 18737 1 167 . 2 2 12 12 PHE H H 1 7.4308 . . 1 . . . B 13 PHE H . 18737 1 168 . 2 2 12 12 PHE N N 15 114.9338 . . 1 . . . B 13 PHE N . 18737 1 169 . 2 2 14 14 TYR H H 1 8.1821 . . 1 . . . B 15 TYR H . 18737 1 170 . 2 2 14 14 TYR N N 15 120.8131 . . 1 . . . B 15 TYR N . 18737 1 171 . 2 2 15 15 THR H H 1 7.3925 . . 1 . . . B 16 THR H . 18737 1 172 . 2 2 15 15 THR N N 15 123.9508 . . 1 . . . B 16 THR N . 18737 1 173 . 2 2 16 16 GLY H H 1 8.2529 . . 1 . . . B 17 GLY H . 18737 1 174 . 2 2 16 16 GLY N N 15 115.1695 . . 1 . . . B 17 GLY N . 18737 1 175 . 2 2 17 17 THR H H 1 8.9421 . . 1 . . . B 18 THR H . 18737 1 176 . 2 2 17 17 THR N N 15 115.4939 . . 1 . . . B 18 THR N . 18737 1 177 . 2 2 18 18 ASN H H 1 7.5260 . . 1 . . . B 19 ASN H . 18737 1 178 . 2 2 18 18 ASN N N 15 116.2149 . . 1 . . . B 19 ASN N . 18737 1 179 . 2 2 19 19 GLU H H 1 8.9422 . . 1 . . . B 20 GLU H . 18737 1 180 . 2 2 19 19 GLU N N 15 118.5936 . . 1 . . . B 20 GLU N . 18737 1 181 . 2 2 20 20 ASP H H 1 8.4220 . . 1 . . . B 21 ASP H . 18737 1 182 . 2 2 20 20 ASP N N 15 117.5243 . . 1 . . . B 21 ASP N . 18737 1 183 . 2 2 21 21 GLU H H 1 7.5412 . . 1 . . . B 22 GLU H . 18737 1 184 . 2 2 21 21 GLU N N 15 118.8766 . . 1 . . . B 22 GLU N . 18737 1 185 . 2 2 22 22 LEU H H 1 8.5335 . . 1 . . . B 23 LEU H . 18737 1 186 . 2 2 22 22 LEU N N 15 121.9392 . . 1 . . . B 23 LEU N . 18737 1 187 . 2 2 23 23 THR H H 1 7.4464 . . 1 . . . B 24 THR H . 18737 1 188 . 2 2 23 23 THR N N 15 113.5302 . . 1 . . . B 24 THR N . 18737 1 189 . 2 2 24 24 PHE H H 1 8.7804 . . 1 . . . B 25 PHE H . 18737 1 190 . 2 2 24 24 PHE N N 15 119.9525 . . 1 . . . B 25 PHE N . 18737 1 191 . 2 2 25 25 ARG H H 1 9.6660 . . 1 . . . B 26 ARG H . 18737 1 192 . 2 2 25 25 ARG N N 15 121.2795 . . 1 . . . B 26 ARG N . 18737 1 193 . 2 2 26 26 GLU H H 1 9.3232 . . 1 . . . B 27 GLU H . 18737 1 194 . 2 2 26 26 GLU N N 15 121.6328 . . 1 . . . B 27 GLU N . 18737 1 195 . 2 2 27 27 GLY H H 1 8.1526 . . 1 . . . B 28 GLY H . 18737 1 196 . 2 2 27 27 GLY N N 15 112.9289 . . 1 . . . B 28 GLY N . 18737 1 197 . 2 2 28 28 GLU H H 1 7.9913 . . 1 . . . B 29 GLU H . 18737 1 198 . 2 2 28 28 GLU N N 15 120.4849 . . 1 . . . B 29 GLU N . 18737 1 199 . 2 2 29 29 ILE H H 1 8.4267 . . 1 . . . B 30 ILE H . 18737 1 200 . 2 2 29 29 ILE N N 15 121.1503 . . 1 . . . B 30 ILE N . 18737 1 201 . 2 2 30 30 ILE H H 1 9.0224 . . 1 . . . B 31 ILE H . 18737 1 202 . 2 2 30 30 ILE N N 15 127.4798 . . 1 . . . B 31 ILE N . 18737 1 203 . 2 2 31 31 HIS H H 1 8.5391 . . 1 . . . B 32 HIS H . 18737 1 204 . 2 2 31 31 HIS N N 15 126.0914 . . 1 . . . B 32 HIS N . 18737 1 205 . 2 2 32 32 LEU H H 1 8.7649 . . 1 . . . B 33 LEU H . 18737 1 206 . 2 2 32 32 LEU N N 15 133.7942 . . 1 . . . B 33 LEU N . 18737 1 207 . 2 2 33 33 ILE H H 1 8.7502 . . 1 . . . B 34 ILE H . 18737 1 208 . 2 2 33 33 ILE N N 15 126.7979 . . 1 . . . B 34 ILE N . 18737 1 209 . 2 2 34 34 SER H H 1 7.6519 . . 1 . . . B 35 SER H . 18737 1 210 . 2 2 34 34 SER N N 15 109.5907 . . 1 . . . B 35 SER N . 18737 1 211 . 2 2 35 35 LYS H H 1 8.7339 . . 1 . . . B 36 LYS H . 18737 1 212 . 2 2 35 35 LYS N N 15 125.0749 . . 1 . . . B 36 LYS N . 18737 1 213 . 2 2 36 36 GLU H H 1 8.2904 . . 1 . . . B 37 GLU H . 18737 1 214 . 2 2 36 36 GLU N N 15 120.5730 . . 1 . . . B 37 GLU N . 18737 1 215 . 2 2 37 37 THR H H 1 8.8816 . . 1 . . . B 38 THR H . 18737 1 216 . 2 2 37 37 THR N N 15 114.3152 . . 1 . . . B 38 THR N . 18737 1 217 . 2 2 38 38 GLY H H 1 8.6298 . . 1 . . . B 39 GLY H . 18737 1 218 . 2 2 38 38 GLY N N 15 111.2437 . . 1 . . . B 39 GLY N . 18737 1 219 . 2 2 39 39 GLU H H 1 7.5923 . . 1 . . . B 40 GLU H . 18737 1 220 . 2 2 39 39 GLU N N 15 120.2545 . . 1 . . . B 40 GLU N . 18737 1 221 . 2 2 40 40 ALA H H 1 8.7008 . . 1 . . . B 41 ALA H . 18737 1 222 . 2 2 40 40 ALA N N 15 129.5622 . . 1 . . . B 41 ALA N . 18737 1 223 . 2 2 41 41 GLY H H 1 8.8628 . . 1 . . . B 42 GLY H . 18737 1 224 . 2 2 41 41 GLY N N 15 109.6625 . . 1 . . . B 42 GLY N . 18737 1 225 . 2 2 42 42 TRP H H 1 7.4554 . . 1 . . . B 43 TRP H . 18737 1 226 . 2 2 42 42 TRP N N 15 119.7539 . . 1 . . . B 43 TRP N . 18737 1 227 . 2 2 43 43 TRP H H 1 8.6323 . . 1 . . . B 44 TRP H . 18737 1 228 . 2 2 43 43 TRP N N 15 123.5294 . . 1 . . . B 44 TRP N . 18737 1 229 . 2 2 44 44 LYS H H 1 8.7595 . . 1 . . . B 45 LYS H . 18737 1 230 . 2 2 44 44 LYS N N 15 118.0193 . . 1 . . . B 45 LYS N . 18737 1 231 . 2 2 45 45 GLY H H 1 9.5810 . . 1 . . . B 46 GLY H . 18737 1 232 . 2 2 45 45 GLY N N 15 114.5996 . . 1 . . . B 46 GLY N . 18737 1 233 . 2 2 46 46 GLU H H 1 8.9308 . . 1 . . . B 47 GLU H . 18737 1 234 . 2 2 46 46 GLU N N 15 119.3979 . . 1 . . . B 47 GLU N . 18737 1 235 . 2 2 47 47 LEU H H 1 9.0100 . . 1 . . . B 48 LEU H . 18737 1 236 . 2 2 47 47 LEU N N 15 127.4798 . . 1 . . . B 48 LEU N . 18737 1 237 . 2 2 48 48 ASN H H 1 9.8676 . . 1 . . . B 49 ASN H . 18737 1 238 . 2 2 48 48 ASN N N 15 127.6165 . . 1 . . . B 49 ASN N . 18737 1 239 . 2 2 49 49 GLY H H 1 9.3237 . . 1 . . . B 50 GLY H . 18737 1 240 . 2 2 49 49 GLY N N 15 105.2789 . . 1 . . . B 50 GLY N . 18737 1 241 . 2 2 50 50 LYS H H 1 7.8214 . . 1 . . . B 51 LYS H . 18737 1 242 . 2 2 50 50 LYS N N 15 122.5090 . . 1 . . . B 51 LYS N . 18737 1 243 . 2 2 51 51 GLU H H 1 8.6319 . . 1 . . . B 52 GLU H . 18737 1 244 . 2 2 51 51 GLU N N 15 122.9972 . . 1 . . . B 52 GLU N . 18737 1 245 . 2 2 52 52 GLY H H 1 9.0674 . . 1 . . . B 53 GLY H . 18737 1 246 . 2 2 52 52 GLY N N 15 109.6488 . . 1 . . . B 53 GLY N . 18737 1 247 . 2 2 53 53 VAL H H 1 8.9919 . . 1 . . . B 54 VAL H . 18737 1 248 . 2 2 53 53 VAL N N 15 112.3244 . . 1 . . . B 54 VAL N . 18737 1 249 . 2 2 54 54 PHE H H 1 8.9415 . . 1 . . . B 55 PHE H . 18737 1 250 . 2 2 54 54 PHE N N 15 115.7822 . . 1 . . . B 55 PHE N . 18737 1 251 . 2 2 56 56 ASP H H 1 7.8241 . . 1 . . . B 57 ASP H . 18737 1 252 . 2 2 56 56 ASP N N 15 122.5515 . . 1 . . . B 57 ASP N . 18737 1 253 . 2 2 57 57 ASN H H 1 7.8698 . . 1 . . . B 58 ASN H . 18737 1 254 . 2 2 57 57 ASN N N 15 113.8829 . . 1 . . . B 58 ASN N . 18737 1 255 . 2 2 58 58 PHE H H 1 7.9152 . . 1 . . . B 59 PHE H . 18737 1 256 . 2 2 58 58 PHE N N 15 119.1983 . . 1 . . . B 59 PHE N . 18737 1 257 . 2 2 59 59 ALA H H 1 7.8826 . . 1 . . . B 60 ALA H . 18737 1 258 . 2 2 59 59 ALA N N 15 122.2594 . . 1 . . . B 60 ALA N . 18737 1 259 . 2 2 60 60 VAL H H 1 8.4712 . . 1 . . . B 61 VAL H . 18737 1 260 . 2 2 60 60 VAL N N 15 114.5123 . . 1 . . . B 61 VAL N . 18737 1 261 . 2 2 61 61 GLN H H 1 9.3522 . . 1 . . . B 62 GLN H . 18737 1 262 . 2 2 61 61 GLN N N 15 127.9048 . . 1 . . . B 62 GLN N . 18737 1 263 . 2 2 62 62 ILE H H 1 8.5137 . . 1 . . . B 63 ILE H . 18737 1 264 . 2 2 62 62 ILE N N 15 122.2368 . . 1 . . . B 63 ILE N . 18737 1 265 . 2 2 63 63 SER H H 1 8.0698 . . 1 . . . B 64 SER H . 18737 1 266 . 2 2 63 63 SER N N 15 124.7827 . . 1 . . . B 64 SER N . 18737 1 stop_ save_