################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30608 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 TROSY-HNCO . . . 30608 1 2 TROSY-HN(CA)CO . . . 30608 1 3 TROSY-HNCA . . . 30608 1 4 TROSY-HN(CO)CA . . . 30608 1 5 TROSY-HNCB . . . 30608 1 6 'isotopomer-selective TOCSY' . . . 30608 1 7 'NOESY CM-NHN' . . . 30608 1 8 'NOESY HNHAro-CMHM' . . . 30608 1 9 'NOESY N-NHN' . . . 30608 1 10 'NOESY HN-NHN' . . . 30608 1 11 methyl-HSQC . . . 30608 1 12 HMQC . . . 30608 1 13 TROSY-HN(COCA)CB . . . 30608 1 14 'NOESY HM-CMHM' . . . 30608 1 15 'NOESY CM-CMHM' . . . 30608 1 16 TROSY-HSQC . . . 30608 1 17 'Dnh (NH)' . . . 30608 1 18 'DNC (NCO)' . . . 30608 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 32 32 GLY H H 1 8.270 . . 1 . . . . A 32 GLY H . 30608 1 2 . 1 . 1 32 32 GLY CA C 13 44.680 . . 1 . . . . A 32 GLY CA . 30608 1 3 . 1 . 1 32 32 GLY N N 15 107.870 . . 1 . . . . A 32 GLY N . 30608 1 4 . 1 . 1 33 33 ILE C C 13 175.110 . . 1 . . . . A 33 ILE C . 30608 1 5 . 1 . 1 33 33 ILE CA C 13 60.910 . . 1 . . . . A 33 ILE CA . 30608 1 6 . 1 . 1 33 33 ILE CB C 13 37.310 . . 1 . . . . A 33 ILE CB . 30608 1 7 . 1 . 1 34 34 ARG H H 1 8.030 . . 1 . . . . A 34 ARG H . 30608 1 8 . 1 . 1 34 34 ARG C C 13 176.660 . . 1 . . . . A 34 ARG C . 30608 1 9 . 1 . 1 34 34 ARG CA C 13 54.070 . . 1 . . . . A 34 ARG CA . 30608 1 10 . 1 . 1 34 34 ARG CB C 13 31.718 . . 1 . . . . A 34 ARG CB . 30608 1 11 . 1 . 1 34 34 ARG N N 15 125.710 . . 1 . . . . A 34 ARG N . 30608 1 12 . 1 . 1 35 35 VAL H H 1 8.790 . . 1 . . . . A 35 VAL H . 30608 1 13 . 1 . 1 35 35 VAL C C 13 175.190 . . 1 . . . . A 35 VAL C . 30608 1 14 . 1 . 1 35 35 VAL CA C 13 60.710 . . 1 . . . . A 35 VAL CA . 30608 1 15 . 1 . 1 35 35 VAL CB C 13 33.420 . . 1 . . . . A 35 VAL CB . 30608 1 16 . 1 . 1 35 35 VAL N N 15 118.600 . . 1 . . . . A 35 VAL N . 30608 1 17 . 1 . 1 36 36 MET H H 1 9.210 . . 1 . . . . A 36 MET H . 30608 1 18 . 1 . 1 36 36 MET C C 13 175.010 . . 1 . . . . A 36 MET C . 30608 1 19 . 1 . 1 36 36 MET CA C 13 53.630 . . 1 . . . . A 36 MET CA . 30608 1 20 . 1 . 1 36 36 MET CB C 13 35.740 . . 1 . . . . A 36 MET CB . 30608 1 21 . 1 . 1 36 36 MET N N 15 124.740 . . 1 . . . . A 36 MET N . 30608 1 22 . 1 . 1 37 37 ASP H H 1 9.000 . . 1 . . . . A 37 ASP H . 30608 1 23 . 1 . 1 37 37 ASP C C 13 175.470 . . 1 . . . . A 37 ASP C . 30608 1 24 . 1 . 1 37 37 ASP CA C 13 55.150 . . 1 . . . . A 37 ASP CA . 30608 1 25 . 1 . 1 37 37 ASP CB C 13 38.890 . . 1 . . . . A 37 ASP CB . 30608 1 26 . 1 . 1 37 37 ASP N N 15 125.300 . . 1 . . . . A 37 ASP N . 30608 1 27 . 1 . 1 38 38 HIS H H 1 7.940 . . 1 . . . . A 38 HIS H . 30608 1 28 . 1 . 1 38 38 HIS CA C 13 55.960 . . 1 . . . . A 38 HIS CA . 30608 1 29 . 1 . 1 38 38 HIS N N 15 125.450 . . 1 . . . . A 38 HIS N . 30608 1 30 . 1 . 1 39 39 PRO C C 13 177.720 . . 1 . . . . A 39 PRO C . 30608 1 31 . 1 . 1 39 39 PRO CA C 13 64.420 . . 1 . . . . A 39 PRO CA . 30608 1 32 . 1 . 1 39 39 PRO CB C 13 31.870 . . 1 . . . . A 39 PRO CB . 30608 1 33 . 1 . 1 40 40 THR H H 1 9.370 . . 1 . . . . A 40 THR H . 30608 1 34 . 1 . 1 40 40 THR C C 13 176.430 . . 1 . . . . A 40 THR C . 30608 1 35 . 1 . 1 40 40 THR CA C 13 61.680 . . 1 . . . . A 40 THR CA . 30608 1 36 . 1 . 1 40 40 THR CB C 13 69.220 . . 1 . . . . A 40 THR CB . 30608 1 37 . 1 . 1 40 40 THR N N 15 109.340 . . 1 . . . . A 40 THR N . 30608 1 38 . 1 . 1 41 41 MET H H 1 8.170 . . 1 . . . . A 41 MET H . 30608 1 39 . 1 . 1 41 41 MET CA C 13 56.410 . . 1 . . . . A 41 MET CA . 30608 1 40 . 1 . 1 41 41 MET N N 15 123.140 . . 1 . . . . A 41 MET N . 30608 1 41 . 1 . 1 42 42 PRO CA C 13 64.270 . . 1 . . . . A 42 PRO CA . 30608 1 42 . 1 . 1 42 42 PRO CB C 13 31.000 . . 1 . . . . A 42 PRO CB . 30608 1 43 . 1 . 1 43 43 ASP H H 1 7.800 . . 1 . . . . A 43 ASP H . 30608 1 44 . 1 . 1 43 43 ASP C C 13 175.780 . . 1 . . . . A 43 ASP C . 30608 1 45 . 1 . 1 43 43 ASP CA C 13 52.080 . . 1 . . . . A 43 ASP CA . 30608 1 46 . 1 . 1 43 43 ASP CB C 13 40.620 . . 1 . . . . A 43 ASP CB . 30608 1 47 . 1 . 1 43 43 ASP N N 15 114.270 . . 1 . . . . A 43 ASP N . 30608 1 48 . 1 . 1 44 44 THR H H 1 7.580 . . 1 . . . . A 44 THR H . 30608 1 49 . 1 . 1 44 44 THR CA C 13 62.520 . . 1 . . . . A 44 THR CA . 30608 1 50 . 1 . 1 44 44 THR CB C 13 71.210 . . 1 . . . . A 44 THR CB . 30608 1 51 . 1 . 1 44 44 THR N N 15 116.370 . . 1 . . . . A 44 THR N . 30608 1 52 . 1 . 1 45 45 GLN H H 1 8.860 . . 1 . . . . A 45 GLN H . 30608 1 53 . 1 . 1 45 45 GLN C C 13 173.570 . . 1 . . . . A 45 GLN C . 30608 1 54 . 1 . 1 45 45 GLN CA C 13 54.940 . . 1 . . . . A 45 GLN CA . 30608 1 55 . 1 . 1 45 45 GLN CB C 13 32.130 . . 1 . . . . A 45 GLN CB . 30608 1 56 . 1 . 1 45 45 GLN N N 15 126.110 . . 1 . . . . A 45 GLN N . 30608 1 57 . 1 . 1 46 46 VAL H H 1 9.550 . . 1 . . . . A 46 VAL H . 30608 1 58 . 1 . 1 46 46 VAL C C 13 173.680 . . 1 . . . . A 46 VAL C . 30608 1 59 . 1 . 1 46 46 VAL CA C 13 61.570 . . 1 . . . . A 46 VAL CA . 30608 1 60 . 1 . 1 46 46 VAL CB C 13 32.290 . . 1 . . . . A 46 VAL CB . 30608 1 61 . 1 . 1 46 46 VAL N N 15 124.250 . . 1 . . . . A 46 VAL N . 30608 1 62 . 1 . 1 47 47 VAL H H 1 9.560 . . 1 . . . . A 47 VAL H . 30608 1 63 . 1 . 1 47 47 VAL C C 13 173.980 . . 1 . . . . A 47 VAL C . 30608 1 64 . 1 . 1 47 47 VAL CA C 13 60.030 . . 1 . . . . A 47 VAL CA . 30608 1 65 . 1 . 1 47 47 VAL CB C 13 33.450 . . 1 . . . . A 47 VAL CB . 30608 1 66 . 1 . 1 47 47 VAL N N 15 128.510 . . 1 . . . . A 47 VAL N . 30608 1 67 . 1 . 1 48 48 VAL H H 1 8.940 . . 1 . . . . A 48 VAL H . 30608 1 68 . 1 . 1 48 48 VAL C C 13 175.990 . . 1 . . . . A 48 VAL C . 30608 1 69 . 1 . 1 48 48 VAL CA C 13 61.160 . . 1 . . . . A 48 VAL CA . 30608 1 70 . 1 . 1 48 48 VAL CB C 13 31.710 . . 1 . . . . A 48 VAL CB . 30608 1 71 . 1 . 1 48 48 VAL N N 15 126.790 . . 1 . . . . A 48 VAL N . 30608 1 72 . 1 . 1 49 49 ILE H H 1 8.920 . . 1 . . . . A 49 ILE H . 30608 1 73 . 1 . 1 49 49 ILE CA C 13 57.760 . . 1 . . . . A 49 ILE CA . 30608 1 74 . 1 . 1 49 49 ILE N N 15 127.680 . . 1 . . . . A 49 ILE N . 30608 1 75 . 1 . 1 50 50 PRO C C 13 176.690 . . 1 . . . . A 50 PRO C . 30608 1 76 . 1 . 1 50 50 PRO CA C 13 62.780 . . 1 . . . . A 50 PRO CA . 30608 1 77 . 1 . 1 50 50 PRO CB C 13 31.240 . . 1 . . . . A 50 PRO CB . 30608 1 78 . 1 . 1 51 51 LYS H H 1 8.350 . . 1 . . . . A 51 LYS H . 30608 1 79 . 1 . 1 51 51 LYS C C 13 176.110 . . 1 . . . . A 51 LYS C . 30608 1 80 . 1 . 1 51 51 LYS CA C 13 55.970 . . 1 . . . . A 51 LYS CA . 30608 1 81 . 1 . 1 51 51 LYS CB C 13 29.630 . . 1 . . . . A 51 LYS CB . 30608 1 82 . 1 . 1 51 51 LYS N N 15 121.390 . . 1 . . . . A 51 LYS N . 30608 1 83 . 1 . 1 52 52 SER H H 1 8.350 . . 1 . . . . A 52 SER H . 30608 1 84 . 1 . 1 52 52 SER C C 13 174.620 . . 1 . . . . A 52 SER C . 30608 1 85 . 1 . 1 52 52 SER CA C 13 58.170 . . 1 . . . . A 52 SER CA . 30608 1 86 . 1 . 1 52 52 SER CB C 13 62.550 . . 1 . . . . A 52 SER CB . 30608 1 87 . 1 . 1 52 52 SER N N 15 119.110 . . 1 . . . . A 52 SER N . 30608 1 88 . 1 . 1 53 53 ALA H H 1 7.530 . . 1 . . . . A 53 ALA H . 30608 1 89 . 1 . 1 53 53 ALA CA C 13 51.444 . . 1 . . . . A 53 ALA CA . 30608 1 90 . 1 . 1 53 53 ALA CB C 13 18.920 . . 1 . . . . A 53 ALA CB . 30608 1 91 . 1 . 1 53 53 ALA N N 15 124.880 . . 1 . . . . A 53 ALA N . 30608 1 92 . 1 . 1 54 54 ASP H H 1 8.410 . . 1 . . . . A 54 ASP H . 30608 1 93 . 1 . 1 54 54 ASP C C 13 176.190 . . 1 . . . . A 54 ASP C . 30608 1 94 . 1 . 1 54 54 ASP CA C 13 53.190 . . 1 . . . . A 54 ASP CA . 30608 1 95 . 1 . 1 54 54 ASP CB C 13 40.790 . . 1 . . . . A 54 ASP CB . 30608 1 96 . 1 . 1 54 54 ASP N N 15 120.930 . . 1 . . . . A 54 ASP N . 30608 1 97 . 1 . 1 55 55 LEU H H 1 8.540 . . 1 . . . . A 55 LEU H . 30608 1 98 . 1 . 1 55 55 LEU CA C 13 58.090 . . 1 . . . . A 55 LEU CA . 30608 1 99 . 1 . 1 55 55 LEU CB C 13 40.760 . . 1 . . . . A 55 LEU CB . 30608 1 100 . 1 . 1 55 55 LEU N N 15 129.010 . . 1 . . . . A 55 LEU N . 30608 1 101 . 1 . 1 56 56 GLN H H 1 8.290 . . 1 . . . . A 56 GLN H . 30608 1 102 . 1 . 1 56 56 GLN C C 13 179.050 . . 1 . . . . A 56 GLN C . 30608 1 103 . 1 . 1 56 56 GLN CA C 13 58.920 . . 1 . . . . A 56 GLN CA . 30608 1 104 . 1 . 1 56 56 GLN CB C 13 26.800 . . 1 . . . . A 56 GLN CB . 30608 1 105 . 1 . 1 56 56 GLN N N 15 116.780 . . 1 . . . . A 56 GLN N . 30608 1 106 . 1 . 1 57 57 SER H H 1 7.810 . . 1 . . . . A 57 SER H . 30608 1 107 . 1 . 1 57 57 SER C C 13 176.670 . . 1 . . . . A 57 SER C . 30608 1 108 . 1 . 1 57 57 SER CA C 13 61.350 . . 1 . . . . A 57 SER CA . 30608 1 109 . 1 . 1 57 57 SER CB C 13 62.010 . . 1 . . . . A 57 SER CB . 30608 1 110 . 1 . 1 57 57 SER N N 15 116.610 . . 1 . . . . A 57 SER N . 30608 1 111 . 1 . 1 58 58 VAL H H 1 7.710 . . 1 . . . . A 58 VAL H . 30608 1 112 . 1 . 1 58 58 VAL C C 13 177.690 . . 1 . . . . A 58 VAL C . 30608 1 113 . 1 . 1 58 58 VAL CA C 13 66.370 . . 1 . . . . A 58 VAL CA . 30608 1 114 . 1 . 1 58 58 VAL CB C 13 30.560 . . 1 . . . . A 58 VAL CB . 30608 1 115 . 1 . 1 58 58 VAL N N 15 122.230 . . 1 . . . . A 58 VAL N . 30608 1 116 . 1 . 1 59 59 ILE H H 1 8.530 . . 1 . . . . A 59 ILE H . 30608 1 117 . 1 . 1 59 59 ILE C C 13 179.300 . . 1 . . . . A 59 ILE C . 30608 1 118 . 1 . 1 59 59 ILE CA C 13 65.590 . . 1 . . . . A 59 ILE CA . 30608 1 119 . 1 . 1 59 59 ILE CB C 13 36.360 . . 1 . . . . A 59 ILE CB . 30608 1 120 . 1 . 1 59 59 ILE N N 15 119.830 . . 1 . . . . A 59 ILE N . 30608 1 121 . 1 . 1 60 60 SER H H 1 8.090 . . 1 . . . . A 60 SER H . 30608 1 122 . 1 . 1 60 60 SER C C 13 177.240 . . 1 . . . . A 60 SER C . 30608 1 123 . 1 . 1 60 60 SER CA C 13 62.140 . . 1 . . . . A 60 SER CA . 30608 1 124 . 1 . 1 60 60 SER N N 15 118.420 . . 1 . . . . A 60 SER N . 30608 1 125 . 1 . 1 61 61 VAL H H 1 7.650 . . 1 . . . . A 61 VAL H . 30608 1 126 . 1 . 1 61 61 VAL CA C 13 65.890 . . 1 . . . . A 61 VAL CA . 30608 1 127 . 1 . 1 61 61 VAL CB C 13 30.870 . . 1 . . . . A 61 VAL CB . 30608 1 128 . 1 . 1 61 61 VAL N N 15 123.050 . . 1 . . . . A 61 VAL N . 30608 1 129 . 1 . 1 62 62 LEU H H 1 8.340 . . 1 . . . . A 62 LEU H . 30608 1 130 . 1 . 1 62 62 LEU CA C 13 55.440 . . 1 . . . . A 62 LEU CA . 30608 1 131 . 1 . 1 62 62 LEU CB C 13 39.440 . . 1 . . . . A 62 LEU CB . 30608 1 132 . 1 . 1 62 62 LEU N N 15 119.730 . . 1 . . . . A 62 LEU N . 30608 1 133 . 1 . 1 63 63 THR H H 1 8.390 . . 1 . . . . A 63 THR H . 30608 1 134 . 1 . 1 63 63 THR C C 13 175.320 . . 1 . . . . A 63 THR C . 30608 1 135 . 1 . 1 63 63 THR CA C 13 67.330 . . 1 . . . . A 63 THR CA . 30608 1 136 . 1 . 1 63 63 THR CB C 13 68.100 . . 1 . . . . A 63 THR CB . 30608 1 137 . 1 . 1 63 63 THR N N 15 116.590 . . 1 . . . . A 63 THR N . 30608 1 138 . 1 . 1 64 64 ALA H H 1 7.050 . . 1 . . . . A 64 ALA H . 30608 1 139 . 1 . 1 64 64 ALA C C 13 180.520 . . 1 . . . . A 64 ALA C . 30608 1 140 . 1 . 1 64 64 ALA CA C 13 54.710 . . 1 . . . . A 64 ALA CA . 30608 1 141 . 1 . 1 64 64 ALA CB C 13 17.020 . . 1 . . . . A 64 ALA CB . 30608 1 142 . 1 . 1 64 64 ALA N N 15 122.450 . . 1 . . . . A 64 ALA N . 30608 1 143 . 1 . 1 65 65 LYS H H 1 7.920 . . 1 . . . . A 65 LYS H . 30608 1 144 . 1 . 1 65 65 LYS C C 13 180.320 . . 1 . . . . A 65 LYS C . 30608 1 145 . 1 . 1 65 65 LYS CA C 13 58.680 . . 1 . . . . A 65 LYS CA . 30608 1 146 . 1 . 1 65 65 LYS CB C 13 31.570 . . 1 . . . . A 65 LYS CB . 30608 1 147 . 1 . 1 65 65 LYS N N 15 119.130 . . 1 . . . . A 65 LYS N . 30608 1 148 . 1 . 1 66 66 GLY H H 1 9.280 . . 1 . . . . A 66 GLY H . 30608 1 149 . 1 . 1 66 66 GLY C C 13 176.160 . . 1 . . . . A 66 GLY C . 30608 1 150 . 1 . 1 66 66 GLY CA C 13 46.760 . . 1 . . . . A 66 GLY CA . 30608 1 151 . 1 . 1 66 66 GLY N N 15 109.500 . . 1 . . . . A 66 GLY N . 30608 1 152 . 1 . 1 67 67 LYS H H 1 8.180 . . 1 . . . . A 67 LYS H . 30608 1 153 . 1 . 1 67 67 LYS C C 13 179.980 . . 1 . . . . A 67 LYS C . 30608 1 154 . 1 . 1 67 67 LYS CA C 13 58.960 . . 1 . . . . A 67 LYS CA . 30608 1 155 . 1 . 1 67 67 LYS CB C 13 31.320 . . 1 . . . . A 67 LYS CB . 30608 1 156 . 1 . 1 67 67 LYS N N 15 119.760 . . 1 . . . . A 67 LYS N . 30608 1 157 . 1 . 1 68 68 GLU H H 1 7.720 . . 1 . . . . A 68 GLU H . 30608 1 158 . 1 . 1 68 68 GLU C C 13 177.910 . . 1 . . . . A 68 GLU C . 30608 1 159 . 1 . 1 68 68 GLU CA C 13 58.040 . . 1 . . . . A 68 GLU CA . 30608 1 160 . 1 . 1 68 68 GLU CB C 13 28.770 . . 1 . . . . A 68 GLU CB . 30608 1 161 . 1 . 1 68 68 GLU N N 15 119.370 . . 1 . . . . A 68 GLU N . 30608 1 162 . 1 . 1 69 69 ALA H H 1 7.820 . . 1 . . . . A 69 ALA H . 30608 1 163 . 1 . 1 69 69 ALA C C 13 179.886 . . 1 . . . . A 69 ALA C . 30608 1 164 . 1 . 1 69 69 ALA CA C 13 53.770 . . 1 . . . . A 69 ALA CA . 30608 1 165 . 1 . 1 69 69 ALA CB C 13 18.200 . . 1 . . . . A 69 ALA CB . 30608 1 166 . 1 . 1 69 69 ALA N N 15 123.120 . . 1 . . . . A 69 ALA N . 30608 1 167 . 1 . 1 70 70 GLY H H 1 7.680 . . 1 . . . . A 70 GLY H . 30608 1 168 . 1 . 1 70 70 GLY CA C 13 44.300 . . 1 . . . . A 70 GLY CA . 30608 1 169 . 1 . 1 70 70 GLY N N 15 103.250 . . 1 . . . . A 70 GLY N . 30608 1 170 . 1 . 1 71 71 PRO C C 13 177.950 . . 1 . . . . A 71 PRO C . 30608 1 171 . 1 . 1 71 71 PRO CA C 13 64.620 . . 1 . . . . A 71 PRO CA . 30608 1 172 . 1 . 1 71 71 PRO CB C 13 31.380 . . 1 . . . . A 71 PRO CB . 30608 1 173 . 1 . 1 72 72 GLN H H 1 8.630 . . 1 . . . . A 72 GLN H . 30608 1 174 . 1 . 1 72 72 GLN C C 13 176.090 . . 1 . . . . A 72 GLN C . 30608 1 175 . 1 . 1 72 72 GLN CA C 13 55.270 . . 1 . . . . A 72 GLN CA . 30608 1 176 . 1 . 1 72 72 GLN CB C 13 27.700 . . 1 . . . . A 72 GLN CB . 30608 1 177 . 1 . 1 72 72 GLN N N 15 115.870 . . 1 . . . . A 72 GLN N . 30608 1 178 . 1 . 1 73 73 GLY H H 1 7.250 . . 1 . . . . A 73 GLY H . 30608 1 179 . 1 . 1 73 73 GLY C C 13 172.720 . . 1 . . . . A 73 GLY C . 30608 1 180 . 1 . 1 73 73 GLY CA C 13 43.110 . . 1 . . . . A 73 GLY CA . 30608 1 181 . 1 . 1 73 73 GLY N N 15 108.960 . . 1 . . . . A 73 GLY N . 30608 1 182 . 1 . 1 74 74 ARG H H 1 8.380 . . 1 . . . . A 74 ARG H . 30608 1 183 . 1 . 1 74 74 ARG C C 13 173.380 . . 1 . . . . A 74 ARG C . 30608 1 184 . 1 . 1 74 74 ARG CA C 13 55.110 . . 1 . . . . A 74 ARG CA . 30608 1 185 . 1 . 1 74 74 ARG CB C 13 26.540 . . 1 . . . . A 74 ARG CB . 30608 1 186 . 1 . 1 74 74 ARG N N 15 119.030 . . 1 . . . . A 74 ARG N . 30608 1 187 . 1 . 1 75 75 ASN H H 1 7.290 . . 1 . . . . A 75 ASN H . 30608 1 188 . 1 . 1 75 75 ASN CA C 13 51.740 . . 1 . . . . A 75 ASN CA . 30608 1 189 . 1 . 1 75 75 ASN CB C 13 39.760 . . 1 . . . . A 75 ASN CB . 30608 1 190 . 1 . 1 75 75 ASN N N 15 119.600 . . 1 . . . . A 75 ASN N . 30608 1 191 . 1 . 1 76 76 LYS H H 1 8.010 . . 1 . . . . A 76 LYS H . 30608 1 192 . 1 . 1 76 76 LYS C C 13 174.420 . . 1 . . . . A 76 LYS C . 30608 1 193 . 1 . 1 76 76 LYS CA C 13 54.330 . . 1 . . . . A 76 LYS CA . 30608 1 194 . 1 . 1 76 76 LYS CB C 13 33.700 . . 1 . . . . A 76 LYS CB . 30608 1 195 . 1 . 1 76 76 LYS N N 15 123.220 . . 1 . . . . A 76 LYS N . 30608 1 196 . 1 . 1 77 77 PHE H H 1 8.980 . . 1 . . . . A 77 PHE H . 30608 1 197 . 1 . 1 77 77 PHE C C 13 174.960 . . 1 . . . . A 77 PHE C . 30608 1 198 . 1 . 1 77 77 PHE CA C 13 55.400 . . 1 . . . . A 77 PHE CA . 30608 1 199 . 1 . 1 77 77 PHE CB C 13 42.190 . . 1 . . . . A 77 PHE CB . 30608 1 200 . 1 . 1 77 77 PHE N N 15 118.700 . . 1 . . . . A 77 PHE N . 30608 1 201 . 1 . 1 78 78 ILE H H 1 9.060 . . 1 . . . . A 78 ILE H . 30608 1 202 . 1 . 1 78 78 ILE C C 13 174.040 . . 1 . . . . A 78 ILE C . 30608 1 203 . 1 . 1 78 78 ILE CA C 13 59.890 . . 1 . . . . A 78 ILE CA . 30608 1 204 . 1 . 1 78 78 ILE N N 15 125.200 . . 1 . . . . A 78 ILE N . 30608 1 205 . 1 . 1 79 79 LEU H H 1 9.600 . . 1 . . . . A 79 LEU H . 30608 1 206 . 1 . 1 79 79 LEU C C 13 175.390 . . 1 . . . . A 79 LEU C . 30608 1 207 . 1 . 1 79 79 LEU CA C 13 53.900 . . 1 . . . . A 79 LEU CA . 30608 1 208 . 1 . 1 79 79 LEU CB C 13 41.160 . . 1 . . . . A 79 LEU CB . 30608 1 209 . 1 . 1 79 79 LEU N N 15 128.200 . . 1 . . . . A 79 LEU N . 30608 1 210 . 1 . 1 80 80 LEU H H 1 8.950 . . 1 . . . . A 80 LEU H . 30608 1 211 . 1 . 1 80 80 LEU C C 13 175.530 . . 1 . . . . A 80 LEU C . 30608 1 212 . 1 . 1 80 80 LEU CA C 13 52.720 . . 1 . . . . A 80 LEU CA . 30608 1 213 . 1 . 1 80 80 LEU CB C 13 43.640 . . 1 . . . . A 80 LEU CB . 30608 1 214 . 1 . 1 80 80 LEU N N 15 123.340 . . 1 . . . . A 80 LEU N . 30608 1 215 . 1 . 1 81 81 SER H H 1 8.660 . . 1 . . . . A 81 SER H . 30608 1 216 . 1 . 1 81 81 SER C C 13 175.170 . . 1 . . . . A 81 SER C . 30608 1 217 . 1 . 1 81 81 SER CA C 13 56.870 . . 1 . . . . A 81 SER CA . 30608 1 218 . 1 . 1 81 81 SER CB C 13 63.840 . . 1 . . . . A 81 SER CB . 30608 1 219 . 1 . 1 81 81 SER N N 15 116.790 . . 1 . . . . A 81 SER N . 30608 1 220 . 1 . 1 82 82 GLY H H 1 8.350 . . 1 . . . . A 82 GLY H . 30608 1 221 . 1 . 1 82 82 GLY CA C 13 44.660 . . 1 . . . . A 82 GLY CA . 30608 1 222 . 1 . 1 82 82 GLY N N 15 112.380 . . 1 . . . . A 82 GLY N . 30608 1 223 . 1 . 1 83 83 ASP H H 1 8.250 . . 1 . . . . A 83 ASP H . 30608 1 224 . 1 . 1 83 83 ASP CA C 13 53.510 . . 1 . . . . A 83 ASP CA . 30608 1 225 . 1 . 1 83 83 ASP CB C 13 41.360 . . 1 . . . . A 83 ASP CB . 30608 1 226 . 1 . 1 83 83 ASP N N 15 120.450 . . 1 . . . . A 83 ASP N . 30608 1 227 . 1 . 1 84 84 THR H H 1 8.190 . . 1 . . . . A 84 THR H . 30608 1 228 . 1 . 1 84 84 THR CA C 13 61.620 . . 1 . . . . A 84 THR CA . 30608 1 229 . 1 . 1 84 84 THR CB C 13 69.240 . . 1 . . . . A 84 THR CB . 30608 1 230 . 1 . 1 84 84 THR N N 15 114.870 . . 1 . . . . A 84 THR N . 30608 1 231 . 1 . 1 85 85 SER H H 1 8.400 . . 1 . . . . A 85 SER H . 30608 1 232 . 1 . 1 85 85 SER CA C 13 58.480 . . 1 . . . . A 85 SER CA . 30608 1 233 . 1 . 1 85 85 SER CB C 13 63.460 . . 1 . . . . A 85 SER CB . 30608 1 234 . 1 . 1 85 85 SER N N 15 118.670 . . 1 . . . . A 85 SER N . 30608 1 235 . 2 . 2 2 2 ALA H H 1 8.180 . . 1 . . . . B 569 ALA H . 30608 1 236 . 2 . 2 2 2 ALA CA C 13 52.090 . . 1 . . . . B 569 ALA CA . 30608 1 237 . 2 . 2 2 2 ALA CB C 13 18.540 . . 1 . . . . B 569 ALA CB . 30608 1 238 . 2 . 2 2 2 ALA N N 15 126.410 . . 1 . . . . B 569 ALA N . 30608 1 239 . 2 . 2 3 3 GLN H H 1 8.440 . . 1 . . . . B 570 GLN H . 30608 1 240 . 2 . 2 3 3 GLN C C 13 174.560 . . 1 . . . . B 570 GLN C . 30608 1 241 . 2 . 2 3 3 GLN CA C 13 55.330 . . 1 . . . . B 570 GLN CA . 30608 1 242 . 2 . 2 3 3 GLN CB C 13 28.650 . . 1 . . . . B 570 GLN CB . 30608 1 243 . 2 . 2 3 3 GLN N N 15 120.460 . . 1 . . . . B 570 GLN N . 30608 1 244 . 2 . 2 4 4 ALA H H 1 8.370 . . 1 . . . . B 571 ALA H . 30608 1 245 . 2 . 2 4 4 ALA CA C 13 52.260 . . 1 . . . . B 571 ALA CA . 30608 1 246 . 2 . 2 4 4 ALA CB C 13 18.390 . . 1 . . . . B 571 ALA CB . 30608 1 247 . 2 . 2 4 4 ALA N N 15 126.290 . . 1 . . . . B 571 ALA N . 30608 1 248 . 2 . 2 5 5 GLY H H 1 8.340 . . 1 . . . . B 572 GLY H . 30608 1 249 . 2 . 2 5 5 GLY C C 13 173.950 . . 1 . . . . B 572 GLY C . 30608 1 250 . 2 . 2 5 5 GLY CA C 13 44.530 . . 1 . . . . B 572 GLY CA . 30608 1 251 . 2 . 2 5 5 GLY N N 15 109.020 . . 1 . . . . B 572 GLY N . 30608 1 252 . 2 . 2 6 6 ALA H H 1 8.050 . . 1 . . . . B 573 ALA H . 30608 1 253 . 2 . 2 6 6 ALA CA C 13 51.950 . . 1 . . . . B 573 ALA CA . 30608 1 254 . 2 . 2 6 6 ALA N N 15 124.130 . . 1 . . . . B 573 ALA N . 30608 1 255 . 2 . 2 7 7 ALA C C 13 177.570 . . 1 . . . . B 574 ALA C . 30608 1 256 . 2 . 2 7 7 ALA CA C 13 52.140 . . 1 . . . . B 574 ALA CA . 30608 1 257 . 2 . 2 7 7 ALA CB C 13 18.340 . . 1 . . . . B 574 ALA CB . 30608 1 258 . 2 . 2 8 8 ASN H H 1 8.260 . . 1 . . . . B 575 ASN H . 30608 1 259 . 2 . 2 8 8 ASN CA C 13 52.840 . . 1 . . . . B 575 ASN CA . 30608 1 260 . 2 . 2 8 8 ASN CB C 13 38.250 . . 1 . . . . B 575 ASN CB . 30608 1 261 . 2 . 2 8 8 ASN N N 15 117.860 . . 1 . . . . B 575 ASN N . 30608 1 262 . 2 . 2 9 9 ARG H H 1 8.130 . . 1 . . . . B 576 ARG H . 30608 1 263 . 2 . 2 9 9 ARG CA C 13 55.540 . . 1 . . . . B 576 ARG CA . 30608 1 264 . 2 . 2 9 9 ARG CB C 13 30.180 . . 1 . . . . B 576 ARG CB . 30608 1 265 . 2 . 2 9 9 ARG N N 15 121.700 . . 1 . . . . B 576 ARG N . 30608 1 266 . 2 . 2 10 10 SER H H 1 8.470 . . 1 . . . . B 577 SER H . 30608 1 267 . 2 . 2 10 10 SER C C 13 174.970 . . 1 . . . . B 577 SER C . 30608 1 268 . 2 . 2 10 10 SER CA C 13 57.800 . . 1 . . . . B 577 SER CA . 30608 1 269 . 2 . 2 10 10 SER CB C 13 63.480 . . 1 . . . . B 577 SER CB . 30608 1 270 . 2 . 2 10 10 SER N N 15 118.150 . . 1 . . . . B 577 SER N . 30608 1 271 . 2 . 2 11 11 LEU H H 1 8.100 . . 1 . . . . B 578 LEU H . 30608 1 272 . 2 . 2 11 11 LEU C C 13 176.550 . . 1 . . . . B 578 LEU C . 30608 1 273 . 2 . 2 11 11 LEU CA C 13 53.880 . . 1 . . . . B 578 LEU CA . 30608 1 274 . 2 . 2 11 11 LEU N N 15 124.110 . . 1 . . . . B 578 LEU N . 30608 1 275 . 2 . 2 12 12 THR H H 1 8.000 . . 1 . . . . B 579 THR H . 30608 1 276 . 2 . 2 12 12 THR N N 15 114.170 . . 1 . . . . B 579 THR N . 30608 1 277 . 2 . 2 13 13 GLU CA C 13 51.980 . . 1 . . . . B 580 GLU CA . 30608 1 278 . 2 . 2 14 14 GLY H H 1 8.110 . . 1 . . . . B 581 GLY H . 30608 1 279 . 2 . 2 14 14 GLY CA C 13 43.970 . . 1 . . . . B 581 GLY CA . 30608 1 280 . 2 . 2 14 14 GLY N N 15 108.390 . . 1 . . . . B 581 GLY N . 30608 1 281 . 2 . 2 15 15 PHE H H 1 8.460 . . 1 . . . . B 582 PHE H . 30608 1 282 . 2 . 2 15 15 PHE C C 13 175.070 . . 1 . . . . B 582 PHE C . 30608 1 283 . 2 . 2 15 15 PHE CA C 13 56.110 . . 1 . . . . B 582 PHE CA . 30608 1 284 . 2 . 2 15 15 PHE CB C 13 43.490 . . 1 . . . . B 582 PHE CB . 30608 1 285 . 2 . 2 15 15 PHE N N 15 117.350 . . 1 . . . . B 582 PHE N . 30608 1 286 . 2 . 2 16 16 VAL H H 1 9.430 . . 1 . . . . B 583 VAL H . 30608 1 287 . 2 . 2 16 16 VAL C C 13 174.780 . . 1 . . . . B 583 VAL C . 30608 1 288 . 2 . 2 16 16 VAL CA C 13 60.060 . . 1 . . . . B 583 VAL CA . 30608 1 289 . 2 . 2 16 16 VAL CB C 13 33.140 . . 1 . . . . B 583 VAL CB . 30608 1 290 . 2 . 2 16 16 VAL N N 15 119.540 . . 1 . . . . B 583 VAL N . 30608 1 291 . 2 . 2 17 17 LEU H H 1 9.650 . . 1 . . . . B 584 LEU H . 30608 1 292 . 2 . 2 17 17 LEU C C 13 174.100 . . 1 . . . . B 584 LEU C . 30608 1 293 . 2 . 2 17 17 LEU CA C 13 52.760 . . 1 . . . . B 584 LEU CA . 30608 1 294 . 2 . 2 17 17 LEU CB C 13 43.730 . . 1 . . . . B 584 LEU CB . 30608 1 295 . 2 . 2 17 17 LEU N N 15 133.000 . . 1 . . . . B 584 LEU N . 30608 1 296 . 2 . 2 18 18 ASP H H 1 9.070 . . 1 . . . . B 585 ASP H . 30608 1 297 . 2 . 2 18 18 ASP C C 13 177.620 . . 1 . . . . B 585 ASP C . 30608 1 298 . 2 . 2 18 18 ASP CA C 13 52.120 . . 1 . . . . B 585 ASP CA . 30608 1 299 . 2 . 2 18 18 ASP CB C 13 40.730 . . 1 . . . . B 585 ASP CB . 30608 1 300 . 2 . 2 18 18 ASP N N 15 127.950 . . 1 . . . . B 585 ASP N . 30608 1 301 . 2 . 2 19 19 THR H H 1 7.930 . . 1 . . . . B 586 THR H . 30608 1 302 . 2 . 2 19 19 THR C C 13 175.600 . . 1 . . . . B 586 THR C . 30608 1 303 . 2 . 2 19 19 THR CA C 13 64.370 . . 1 . . . . B 586 THR CA . 30608 1 304 . 2 . 2 19 19 THR CB C 13 68.530 . . 1 . . . . B 586 THR CB . 30608 1 305 . 2 . 2 19 19 THR N N 15 113.770 . . 1 . . . . B 586 THR N . 30608 1 306 . 2 . 2 20 20 MET H H 1 8.570 . . 1 . . . . B 587 MET H . 30608 1 307 . 2 . 2 20 20 MET C C 13 177.850 . . 1 . . . . B 587 MET C . 30608 1 308 . 2 . 2 20 20 MET CA C 13 55.870 . . 1 . . . . B 587 MET CA . 30608 1 309 . 2 . 2 20 20 MET CB C 13 32.160 . . 1 . . . . B 587 MET CB . 30608 1 310 . 2 . 2 20 20 MET N N 15 120.640 . . 1 . . . . B 587 MET N . 30608 1 311 . 2 . 2 21 21 ASN H H 1 7.330 . . 1 . . . . B 588 ASN H . 30608 1 312 . 2 . 2 21 21 ASN C C 13 174.030 . . 1 . . . . B 588 ASN C . 30608 1 313 . 2 . 2 21 21 ASN CA C 13 51.890 . . 1 . . . . B 588 ASN CA . 30608 1 314 . 2 . 2 21 21 ASN CB C 13 38.630 . . 1 . . . . B 588 ASN CB . 30608 1 315 . 2 . 2 21 21 ASN N N 15 115.470 . . 1 . . . . B 588 ASN N . 30608 1 316 . 2 . 2 22 22 ASP H H 1 7.610 . . 1 . . . . B 589 ASP H . 30608 1 317 . 2 . 2 22 22 ASP C C 13 173.950 . . 1 . . . . B 589 ASP C . 30608 1 318 . 2 . 2 22 22 ASP CA C 13 55.200 . . 1 . . . . B 589 ASP CA . 30608 1 319 . 2 . 2 22 22 ASP CB C 13 38.690 . . 1 . . . . B 589 ASP CB . 30608 1 320 . 2 . 2 22 22 ASP N N 15 118.160 . . 1 . . . . B 589 ASP N . 30608 1 321 . 2 . 2 23 23 SER H H 1 8.100 . . 1 . . . . B 590 SER H . 30608 1 322 . 2 . 2 23 23 SER C C 13 172.330 . . 1 . . . . B 590 SER C . 30608 1 323 . 2 . 2 23 23 SER CA C 13 56.280 . . 1 . . . . B 590 SER CA . 30608 1 324 . 2 . 2 23 23 SER CB C 13 66.120 . . 1 . . . . B 590 SER CB . 30608 1 325 . 2 . 2 23 23 SER N N 15 111.880 . . 1 . . . . B 590 SER N . 30608 1 326 . 2 . 2 24 24 LEU H H 1 8.520 . . 1 . . . . B 591 LEU H . 30608 1 327 . 2 . 2 24 24 LEU CA C 13 53.570 . . 1 . . . . B 591 LEU CA . 30608 1 328 . 2 . 2 24 24 LEU CB C 13 43.980 . . 1 . . . . B 591 LEU CB . 30608 1 329 . 2 . 2 24 24 LEU N N 15 126.820 . . 1 . . . . B 591 LEU N . 30608 1 330 . 2 . 2 25 25 SER H H 1 8.620 . . 1 . . . . B 592 SER H . 30608 1 331 . 2 . 2 25 25 SER N N 15 120.420 . . 1 . . . . B 592 SER N . 30608 1 stop_ save_