################################### # 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 17844 _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' . . . 17844 1 2 '3D HNCO' . . . 17844 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 4 4 SER C C 13 173.763 0.300 . 1 . . . . 4 SER C . 17844 1 2 . 1 1 5 5 GLU H H 1 8.363 0.030 . 1 . . . . 5 GLU H . 17844 1 3 . 1 1 5 5 GLU C C 13 176.057 0.300 . 1 . . . . 5 GLU C . 17844 1 4 . 1 1 5 5 GLU N N 15 123.127 0.300 . 1 . . . . 5 GLU N . 17844 1 5 . 1 1 6 6 LYS H H 1 8.245 0.030 . 1 . . . . 6 LYS H . 17844 1 6 . 1 1 6 6 LYS C C 13 176.206 0.300 . 1 . . . . 6 LYS C . 17844 1 7 . 1 1 6 6 LYS N N 15 122.196 0.300 . 1 . . . . 6 LYS N . 17844 1 8 . 1 1 7 7 VAL H H 1 8.173 0.030 . 1 . . . . 7 VAL H . 17844 1 9 . 1 1 7 7 VAL C C 13 175.948 0.300 . 1 . . . . 7 VAL C . 17844 1 10 . 1 1 7 7 VAL N N 15 123.121 0.300 . 1 . . . . 7 VAL N . 17844 1 11 . 1 1 8 8 ILE H H 1 8.210 0.030 . 1 . . . . 8 ILE H . 17844 1 12 . 1 1 8 8 ILE C C 13 175.511 0.300 . 1 . . . . 8 ILE C . 17844 1 13 . 1 1 8 8 ILE N N 15 125.073 0.300 . 1 . . . . 8 ILE N . 17844 1 14 . 1 1 9 9 ASP H H 1 8.269 0.030 . 1 . . . . 9 ASP H . 17844 1 15 . 1 1 9 9 ASP C C 13 175.686 0.300 . 1 . . . . 9 ASP C . 17844 1 16 . 1 1 9 9 ASP N N 15 124.433 0.300 . 1 . . . . 9 ASP N . 17844 1 17 . 1 1 10 10 HIS H H 1 8.120 0.030 . 1 . . . . 10 HIS H . 17844 1 18 . 1 1 10 10 HIS C C 13 174.770 0.300 . 1 . . . . 10 HIS C . 17844 1 19 . 1 1 10 10 HIS N N 15 119.913 0.300 . 1 . . . . 10 HIS N . 17844 1 20 . 1 1 11 11 TYR H H 1 8.098 0.030 . 1 . . . . 11 TYR H . 17844 1 21 . 1 1 11 11 TYR C C 13 175.362 0.300 . 1 . . . . 11 TYR C . 17844 1 22 . 1 1 11 11 TYR N N 15 121.513 0.300 . 1 . . . . 11 TYR N . 17844 1 23 . 1 1 12 12 GLU H H 1 8.147 0.030 . 1 . . . . 12 GLU H . 17844 1 24 . 1 1 12 12 GLU C C 13 175.363 0.300 . 1 . . . . 12 GLU C . 17844 1 25 . 1 1 12 12 GLU N N 15 122.546 0.300 . 1 . . . . 12 GLU N . 17844 1 26 . 1 1 13 13 ASN H H 1 8.336 0.030 . 1 . . . . 13 ASN H . 17844 1 27 . 1 1 13 13 ASN N N 15 120.873 0.300 . 1 . . . . 13 ASN N . 17844 1 28 . 1 1 14 14 PRO C C 13 176.936 0.300 . 1 . . . . 14 PRO C . 17844 1 29 . 1 1 15 15 ARG H H 1 8.312 0.030 . 1 . . . . 15 ARG H . 17844 1 30 . 1 1 15 15 ARG C C 13 176.083 0.300 . 1 . . . . 15 ARG C . 17844 1 31 . 1 1 15 15 ARG N N 15 120.020 0.300 . 1 . . . . 15 ARG N . 17844 1 32 . 1 1 16 16 ASN H H 1 8.319 0.030 . 1 . . . . 16 ASN H . 17844 1 33 . 1 1 16 16 ASN N N 15 119.414 0.300 . 1 . . . . 16 ASN N . 17844 1 34 . 1 1 17 17 VAL C C 13 176.499 0.300 . 1 . . . . 17 VAL C . 17844 1 35 . 1 1 18 18 GLY H H 1 8.430 0.030 . 1 . . . . 18 GLY H . 17844 1 36 . 1 1 18 18 GLY C C 13 173.859 0.300 . 1 . . . . 18 GLY C . 17844 1 37 . 1 1 18 18 GLY N N 15 112.127 0.300 . 1 . . . . 18 GLY N . 17844 1 38 . 1 1 19 19 SER H H 1 8.017 0.030 . 1 . . . . 19 SER H . 17844 1 39 . 1 1 19 19 SER C C 13 174.165 0.300 . 1 . . . . 19 SER C . 17844 1 40 . 1 1 19 19 SER N N 15 115.288 0.300 . 1 . . . . 19 SER N . 17844 1 41 . 1 1 20 20 PHE H H 1 8.285 0.030 . 1 . . . . 20 PHE H . 17844 1 42 . 1 1 20 20 PHE C C 13 175.285 0.300 . 1 . . . . 20 PHE C . 17844 1 43 . 1 1 20 20 PHE N N 15 121.844 0.300 . 1 . . . . 20 PHE N . 17844 1 44 . 1 1 21 21 ASP H H 1 8.259 0.030 . 1 . . . . 21 ASP H . 17844 1 45 . 1 1 21 21 ASP C C 13 175.640 0.300 . 1 . . . . 21 ASP C . 17844 1 46 . 1 1 21 21 ASP N N 15 121.422 0.300 . 1 . . . . 21 ASP N . 17844 1 47 . 1 1 22 22 ASN H H 1 8.281 0.030 . 1 . . . . 22 ASN H . 17844 1 48 . 1 1 22 22 ASN C C 13 174.973 0.300 . 1 . . . . 22 ASN C . 17844 1 49 . 1 1 22 22 ASN N N 15 119.041 0.300 . 1 . . . . 22 ASN N . 17844 1 50 . 1 1 23 23 ASN H H 1 8.442 0.030 . 1 . . . . 23 ASN H . 17844 1 51 . 1 1 23 23 ASN C C 13 175.012 0.300 . 1 . . . . 23 ASN C . 17844 1 52 . 1 1 23 23 ASN N N 15 119.294 0.300 . 1 . . . . 23 ASN N . 17844 1 53 . 1 1 24 24 ASP H H 1 8.278 0.030 . 1 . . . . 24 ASP H . 17844 1 54 . 1 1 24 24 ASP C C 13 176.466 0.300 . 1 . . . . 24 ASP C . 17844 1 55 . 1 1 24 24 ASP N N 15 120.670 0.300 . 1 . . . . 24 ASP N . 17844 1 56 . 1 1 25 25 GLU H H 1 8.360 0.030 . 1 . . . . 25 GLU H . 17844 1 57 . 1 1 25 25 GLU C C 13 176.437 0.300 . 1 . . . . 25 GLU C . 17844 1 58 . 1 1 25 25 GLU N N 15 120.841 0.300 . 1 . . . . 25 GLU N . 17844 1 59 . 1 1 26 26 ASN H H 1 8.428 0.030 . 1 . . . . 26 ASN H . 17844 1 60 . 1 1 26 26 ASN C C 13 175.376 0.300 . 1 . . . . 26 ASN C . 17844 1 61 . 1 1 26 26 ASN N N 15 119.104 0.300 . 1 . . . . 26 ASN N . 17844 1 62 . 1 1 27 27 VAL H H 1 7.986 0.030 . 1 . . . . 27 VAL H . 17844 1 63 . 1 1 27 27 VAL C C 13 176.815 0.300 . 1 . . . . 27 VAL C . 17844 1 64 . 1 1 27 27 VAL N N 15 119.889 0.300 . 1 . . . . 27 VAL N . 17844 1 65 . 1 1 28 28 GLY H H 1 8.444 0.030 . 1 . . . . 28 GLY H . 17844 1 66 . 1 1 28 28 GLY C C 13 174.421 0.300 . 1 . . . . 28 GLY C . 17844 1 67 . 1 1 28 28 GLY N N 15 111.902 0.300 . 1 . . . . 28 GLY N . 17844 1 68 . 1 1 29 29 SER H H 1 8.225 0.030 . 1 . . . . 29 SER H . 17844 1 69 . 1 1 29 29 SER C C 13 175.228 0.300 . 1 . . . . 29 SER C . 17844 1 70 . 1 1 29 29 SER N N 15 115.687 0.300 . 1 . . . . 29 SER N . 17844 1 71 . 1 1 30 30 GLY H H 1 8.470 0.030 . 1 . . . . 30 GLY H . 17844 1 72 . 1 1 30 30 GLY C C 13 174.032 0.300 . 1 . . . . 30 GLY C . 17844 1 73 . 1 1 30 30 GLY N N 15 110.690 0.300 . 1 . . . . 30 GLY N . 17844 1 74 . 1 1 31 31 MET H H 1 8.127 0.030 . 1 . . . . 31 MET H . 17844 1 75 . 1 1 31 31 MET C C 13 176.200 0.300 . 1 . . . . 31 MET C . 17844 1 76 . 1 1 31 31 MET N N 15 119.833 0.300 . 1 . . . . 31 MET N . 17844 1 77 . 1 1 32 32 VAL H H 1 8.168 0.030 . 1 . . . . 32 VAL H . 17844 1 78 . 1 1 32 32 VAL C C 13 176.531 0.300 . 1 . . . . 32 VAL C . 17844 1 79 . 1 1 32 32 VAL N N 15 121.783 0.300 . 1 . . . . 32 VAL N . 17844 1 80 . 1 1 33 33 GLY H H 1 8.459 0.030 . 1 . . . . 33 GLY H . 17844 1 81 . 1 1 33 33 GLY C C 13 173.251 0.300 . 1 . . . . 33 GLY C . 17844 1 82 . 1 1 33 33 GLY N N 15 112.907 0.300 . 1 . . . . 33 GLY N . 17844 1 83 . 1 1 34 34 ALA H H 1 8.068 0.030 . 1 . . . . 34 ALA H . 17844 1 84 . 1 1 34 34 ALA N N 15 124.761 0.300 . 1 . . . . 34 ALA N . 17844 1 85 . 1 1 35 35 PRO C C 13 176.732 0.300 . 1 . . . . 35 PRO C . 17844 1 86 . 1 1 36 36 ALA H H 1 8.459 0.030 . 1 . . . . 36 ALA H . 17844 1 87 . 1 1 36 36 ALA C C 13 177.750 0.300 . 1 . . . . 36 ALA C . 17844 1 88 . 1 1 36 36 ALA N N 15 124.544 0.300 . 1 . . . . 36 ALA N . 17844 1 89 . 1 1 37 37 CYS H H 1 8.328 0.030 . 1 . . . . 37 CYS H . 17844 1 90 . 1 1 37 37 CYS C C 13 175.039 0.300 . 1 . . . . 37 CYS C . 17844 1 91 . 1 1 37 37 CYS N N 15 118.367 0.300 . 1 . . . . 37 CYS N . 17844 1 92 . 1 1 38 38 GLY H H 1 8.414 0.030 . 1 . . . . 38 GLY H . 17844 1 93 . 1 1 38 38 GLY C C 13 173.746 0.300 . 1 . . . . 38 GLY C . 17844 1 94 . 1 1 38 38 GLY N N 15 111.270 0.300 . 1 . . . . 38 GLY N . 17844 1 95 . 1 1 39 39 ASP H H 1 8.202 0.030 . 1 . . . . 39 ASP H . 17844 1 96 . 1 1 39 39 ASP C C 13 176.687 0.300 . 1 . . . . 39 ASP C . 17844 1 97 . 1 1 39 39 ASP N N 15 120.780 0.300 . 1 . . . . 39 ASP N . 17844 1 98 . 1 1 40 40 VAL H H 1 8.061 0.030 . 1 . . . . 40 VAL H . 17844 1 99 . 1 1 40 40 VAL C C 13 176.574 0.300 . 1 . . . . 40 VAL C . 17844 1 100 . 1 1 40 40 VAL N N 15 120.120 0.300 . 1 . . . . 40 VAL N . 17844 1 101 . 1 1 41 41 MET H H 1 8.329 0.030 . 1 . . . . 41 MET H . 17844 1 102 . 1 1 41 41 MET C C 13 176.462 0.300 . 1 . . . . 41 MET C . 17844 1 103 . 1 1 41 41 MET N N 15 122.434 0.300 . 1 . . . . 41 MET N . 17844 1 104 . 1 1 42 42 LYS H H 1 8.092 0.030 . 1 . . . . 42 LYS H . 17844 1 105 . 1 1 42 42 LYS C C 13 176.388 0.300 . 1 . . . . 42 LYS C . 17844 1 106 . 1 1 42 42 LYS N N 15 121.904 0.300 . 1 . . . . 42 LYS N . 17844 1 107 . 1 1 43 43 LEU H H 1 8.055 0.030 . 1 . . . . 43 LEU H . 17844 1 108 . 1 1 43 43 LEU N N 15 122.452 0.300 . 1 . . . . 43 LEU N . 17844 1 109 . 1 1 44 44 GLN C C 13 175.548 0.300 . 1 . . . . 44 GLN C . 17844 1 110 . 1 1 45 45 ILE H H 1 8.072 0.030 . 1 . . . . 45 ILE H . 17844 1 111 . 1 1 45 45 ILE C C 13 175.773 0.300 . 1 . . . . 45 ILE C . 17844 1 112 . 1 1 45 45 ILE N N 15 122.446 0.300 . 1 . . . . 45 ILE N . 17844 1 113 . 1 1 46 46 LYS H H 1 8.389 0.030 . 1 . . . . 46 LYS H . 17844 1 114 . 1 1 46 46 LYS N N 15 126.279 0.300 . 1 . . . . 46 LYS N . 17844 1 115 . 1 1 47 47 VAL C C 13 175.786 0.300 . 1 . . . . 47 VAL C . 17844 1 116 . 1 1 48 48 ASN H H 1 8.502 0.030 . 1 . . . . 48 ASN H . 17844 1 117 . 1 1 48 48 ASN N N 15 122.383 0.300 . 1 . . . . 48 ASN N . 17844 1 118 . 1 1 50 50 GLU C C 13 176.982 0.300 . 1 . . . . 50 GLU C . 17844 1 119 . 1 1 51 51 GLY H H 1 8.369 0.030 . 1 . . . . 51 GLY H . 17844 1 120 . 1 1 51 51 GLY C C 13 173.908 0.300 . 1 . . . . 51 GLY C . 17844 1 121 . 1 1 51 51 GLY N N 15 109.100 0.300 . 1 . . . . 51 GLY N . 17844 1 122 . 1 1 52 52 ILE H H 1 7.852 0.030 . 1 . . . . 52 ILE H . 17844 1 123 . 1 1 52 52 ILE C C 13 176.187 0.300 . 1 . . . . 52 ILE C . 17844 1 124 . 1 1 52 52 ILE N N 15 120.280 0.300 . 1 . . . . 52 ILE N . 17844 1 125 . 1 1 53 53 ILE H H 1 8.230 0.030 . 1 . . . . 53 ILE H . 17844 1 126 . 1 1 53 53 ILE C C 13 176.158 0.300 . 1 . . . . 53 ILE C . 17844 1 127 . 1 1 53 53 ILE N N 15 125.755 0.300 . 1 . . . . 53 ILE N . 17844 1 128 . 1 1 54 54 GLU H H 1 8.498 0.030 . 1 . . . . 54 GLU H . 17844 1 129 . 1 1 54 54 GLU C C 13 175.925 0.300 . 1 . . . . 54 GLU C . 17844 1 130 . 1 1 54 54 GLU N N 15 125.979 0.300 . 1 . . . . 54 GLU N . 17844 1 131 . 1 1 55 55 ASP H H 1 8.314 0.030 . 1 . . . . 55 ASP H . 17844 1 132 . 1 1 55 55 ASP C C 13 176.384 0.300 . 1 . . . . 55 ASP C . 17844 1 133 . 1 1 55 55 ASP N N 15 122.137 0.300 . 1 . . . . 55 ASP N . 17844 1 134 . 1 1 56 56 ALA H H 1 8.371 0.030 . 1 . . . . 56 ALA H . 17844 1 135 . 1 1 56 56 ALA C C 13 178.424 0.300 . 1 . . . . 56 ALA C . 17844 1 136 . 1 1 56 56 ALA N N 15 125.651 0.300 . 1 . . . . 56 ALA N . 17844 1 137 . 1 1 57 57 ARG H H 1 8.221 0.030 . 1 . . . . 57 ARG H . 17844 1 138 . 1 1 57 57 ARG C C 13 176.760 0.300 . 1 . . . . 57 ARG C . 17844 1 139 . 1 1 57 57 ARG N N 15 118.288 0.300 . 1 . . . . 57 ARG N . 17844 1 140 . 1 1 58 58 PHE H H 1 7.902 0.030 . 1 . . . . 58 PHE H . 17844 1 141 . 1 1 58 58 PHE N N 15 118.369 0.300 . 1 . . . . 58 PHE N . 17844 1 142 . 1 1 71 71 SER C C 13 174.320 0.300 . 1 . . . . 71 SER C . 17844 1 143 . 1 1 72 72 LEU H H 1 8.114 0.030 . 1 . . . . 72 LEU H . 17844 1 144 . 1 1 72 72 LEU N N 15 123.704 0.300 . 1 . . . . 72 LEU N . 17844 1 145 . 1 1 73 73 VAL C C 13 176.304 0.300 . 1 . . . . 73 VAL C . 17844 1 146 . 1 1 74 74 THR H H 1 8.072 0.030 . 1 . . . . 74 THR H . 17844 1 147 . 1 1 74 74 THR C C 13 174.471 0.300 . 1 . . . . 74 THR C . 17844 1 148 . 1 1 74 74 THR N N 15 117.424 0.300 . 1 . . . . 74 THR N . 17844 1 149 . 1 1 75 75 GLU H H 1 8.235 0.030 . 1 . . . . 75 GLU H . 17844 1 150 . 1 1 75 75 GLU C C 13 176.014 0.300 . 1 . . . . 75 GLU C . 17844 1 151 . 1 1 75 75 GLU N N 15 122.795 0.300 . 1 . . . . 75 GLU N . 17844 1 152 . 1 1 76 76 TRP H H 1 8.153 0.030 . 1 . . . . 76 TRP H . 17844 1 153 . 1 1 76 76 TRP C C 13 176.199 0.300 . 1 . . . . 76 TRP C . 17844 1 154 . 1 1 76 76 TRP N N 15 122.700 0.300 . 1 . . . . 76 TRP N . 17844 1 155 . 1 1 77 77 VAL H H 1 7.851 0.030 . 1 . . . . 77 VAL H . 17844 1 156 . 1 1 77 77 VAL N N 15 121.951 0.300 . 1 . . . . 77 VAL N . 17844 1 157 . 1 1 78 78 LYS C C 13 177.102 0.300 . 1 . . . . 78 LYS C . 17844 1 158 . 1 1 79 79 GLY H H 1 8.339 0.030 . 1 . . . . 79 GLY H . 17844 1 159 . 1 1 79 79 GLY N N 15 110.157 0.300 . 1 . . . . 79 GLY N . 17844 1 160 . 1 1 80 80 LYS C C 13 176.613 0.300 . 1 . . . . 80 LYS C . 17844 1 161 . 1 1 81 81 SER H H 1 8.377 0.030 . 1 . . . . 81 SER H . 17844 1 162 . 1 1 81 81 SER C C 13 174.719 0.300 . 1 . . . . 81 SER C . 17844 1 163 . 1 1 81 81 SER N N 15 117.317 0.300 . 1 . . . . 81 SER N . 17844 1 164 . 1 1 82 82 LEU H H 1 8.362 0.030 . 1 . . . . 82 LEU H . 17844 1 165 . 1 1 82 82 LEU C C 13 177.326 0.300 . 1 . . . . 82 LEU C . 17844 1 166 . 1 1 82 82 LEU N N 15 124.203 0.300 . 1 . . . . 82 LEU N . 17844 1 167 . 1 1 83 83 ASP H H 1 8.225 0.030 . 1 . . . . 83 ASP H . 17844 1 168 . 1 1 83 83 ASP C C 13 176.717 0.300 . 1 . . . . 83 ASP C . 17844 1 169 . 1 1 83 83 ASP N N 15 120.388 0.300 . 1 . . . . 83 ASP N . 17844 1 170 . 1 1 84 84 GLU H H 1 8.234 0.030 . 1 . . . . 84 GLU H . 17844 1 171 . 1 1 84 84 GLU C C 13 176.757 0.300 . 1 . . . . 84 GLU C . 17844 1 172 . 1 1 84 84 GLU N N 15 121.445 0.300 . 1 . . . . 84 GLU N . 17844 1 173 . 1 1 85 85 ALA H H 1 8.232 0.030 . 1 . . . . 85 ALA H . 17844 1 174 . 1 1 85 85 ALA C C 13 178.145 0.300 . 1 . . . . 85 ALA C . 17844 1 175 . 1 1 85 85 ALA N N 15 123.782 0.300 . 1 . . . . 85 ALA N . 17844 1 176 . 1 1 86 86 GLN H H 1 8.109 0.030 . 1 . . . . 86 GLN H . 17844 1 177 . 1 1 86 86 GLN C C 13 175.831 0.300 . 1 . . . . 86 GLN C . 17844 1 178 . 1 1 86 86 GLN N N 15 118.247 0.300 . 1 . . . . 86 GLN N . 17844 1 179 . 1 1 87 87 ALA H H 1 8.092 0.030 . 1 . . . . 87 ALA H . 17844 1 180 . 1 1 87 87 ALA C C 13 177.703 0.300 . 1 . . . . 87 ALA C . 17844 1 181 . 1 1 87 87 ALA N N 15 124.534 0.300 . 1 . . . . 87 ALA N . 17844 1 182 . 1 1 88 88 ILE H H 1 8.009 0.030 . 1 . . . . 88 ILE H . 17844 1 183 . 1 1 88 88 ILE C C 13 176.224 0.300 . 1 . . . . 88 ILE C . 17844 1 184 . 1 1 88 88 ILE N N 15 119.948 0.300 . 1 . . . . 88 ILE N . 17844 1 185 . 1 1 89 89 LYS H H 1 8.292 0.030 . 1 . . . . 89 LYS H . 17844 1 186 . 1 1 89 89 LYS N N 15 125.471 0.300 . 1 . . . . 89 LYS N . 17844 1 187 . 1 1 90 90 ASN C C 13 175.461 0.300 . 1 . . . . 90 ASN C . 17844 1 188 . 1 1 91 91 THR H H 1 8.114 0.030 . 1 . . . . 91 THR H . 17844 1 189 . 1 1 91 91 THR C C 13 174.220 0.300 . 1 . . . . 91 THR C . 17844 1 190 . 1 1 91 91 THR N N 15 113.982 0.300 . 1 . . . . 91 THR N . 17844 1 191 . 1 1 92 92 ASP H H 1 8.332 0.030 . 1 . . . . 92 ASP H . 17844 1 192 . 1 1 92 92 ASP C C 13 176.050 0.300 . 1 . . . . 92 ASP C . 17844 1 193 . 1 1 92 92 ASP N N 15 122.869 0.300 . 1 . . . . 92 ASP N . 17844 1 194 . 1 1 93 93 ILE H H 1 7.946 0.030 . 1 . . . . 93 ILE H . 17844 1 195 . 1 1 93 93 ILE C C 13 175.829 0.300 . 1 . . . . 93 ILE C . 17844 1 196 . 1 1 93 93 ILE N N 15 120.657 0.300 . 1 . . . . 93 ILE N . 17844 1 197 . 1 1 94 94 ALA H H 1 8.317 0.030 . 1 . . . . 94 ALA H . 17844 1 198 . 1 1 94 94 ALA C C 13 177.669 0.300 . 1 . . . . 94 ALA C . 17844 1 199 . 1 1 94 94 ALA N N 15 128.259 0.300 . 1 . . . . 94 ALA N . 17844 1 200 . 1 1 95 95 GLU H H 1 8.309 0.030 . 1 . . . . 95 GLU H . 17844 1 201 . 1 1 95 95 GLU C C 13 176.491 0.300 . 1 . . . . 95 GLU C . 17844 1 202 . 1 1 95 95 GLU N N 15 120.436 0.300 . 1 . . . . 95 GLU N . 17844 1 203 . 1 1 96 96 GLU H H 1 8.393 0.030 . 1 . . . . 96 GLU H . 17844 1 204 . 1 1 96 96 GLU N N 15 121.835 0.300 . 1 . . . . 96 GLU N . 17844 1 205 . 1 1 101 101 PRO C C 13 176.860 0.300 . 1 . . . . 101 PRO C . 17844 1 206 . 1 1 102 102 VAL H H 1 8.128 0.030 . 1 . . . . 102 VAL H . 17844 1 207 . 1 1 102 102 VAL C C 13 175.990 0.300 . 1 . . . . 102 VAL C . 17844 1 208 . 1 1 102 102 VAL N N 15 120.273 0.300 . 1 . . . . 102 VAL N . 17844 1 209 . 1 1 103 103 LYS H H 1 8.323 0.030 . 1 . . . . 103 LYS H . 17844 1 210 . 1 1 103 103 LYS N N 15 125.661 0.300 . 1 . . . . 103 LYS N . 17844 1 211 . 1 1 107 107 SER C C 13 174.323 0.300 . 1 . . . . 107 SER C . 17844 1 212 . 1 1 108 108 ILE H H 1 8.161 0.030 . 1 . . . . 108 ILE H . 17844 1 213 . 1 1 108 108 ILE N N 15 122.891 0.300 . 1 . . . . 108 ILE N . 17844 1 214 . 1 1 109 109 LEU C C 13 177.131 0.300 . 1 . . . . 109 LEU C . 17844 1 215 . 1 1 110 110 ALA H H 1 8.267 0.030 . 1 . . . . 110 ALA H . 17844 1 216 . 1 1 110 110 ALA C C 13 178.155 0.300 . 1 . . . . 110 ALA C . 17844 1 217 . 1 1 110 110 ALA N N 15 125.209 0.300 . 1 . . . . 110 ALA N . 17844 1 218 . 1 1 111 111 GLU H H 1 8.453 0.030 . 1 . . . . 111 GLU H . 17844 1 219 . 1 1 111 111 GLU C C 13 176.785 0.300 . 1 . . . . 111 GLU C . 17844 1 220 . 1 1 111 111 GLU N N 15 119.673 0.300 . 1 . . . . 111 GLU N . 17844 1 221 . 1 1 112 112 ASP H H 1 8.218 0.030 . 1 . . . . 112 ASP H . 17844 1 222 . 1 1 112 112 ASP C C 13 176.500 0.300 . 1 . . . . 112 ASP C . 17844 1 223 . 1 1 112 112 ASP N N 15 120.218 0.300 . 1 . . . . 112 ASP N . 17844 1 224 . 1 1 113 113 ALA H H 1 7.984 0.030 . 1 . . . . 113 ALA H . 17844 1 225 . 1 1 113 113 ALA C C 13 178.323 0.300 . 1 . . . . 113 ALA C . 17844 1 226 . 1 1 113 113 ALA N N 15 123.714 0.300 . 1 . . . . 113 ALA N . 17844 1 227 . 1 1 114 114 ILE H H 1 7.928 0.030 . 1 . . . . 114 ILE H . 17844 1 228 . 1 1 114 114 ILE N N 15 119.361 0.300 . 1 . . . . 114 ILE N . 17844 1 229 . 1 1 127 127 ALA C C 13 176.448 0.300 . 1 . . . . 127 ALA C . 17844 1 230 . 1 1 128 128 LYS H H 1 7.856 0.030 . 1 . . . . 128 LYS H . 17844 1 231 . 1 1 128 128 LYS N N 15 126.113 0.300 . 1 . . . . 128 LYS N . 17844 1 stop_ save_