################################### # 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 19333 _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' . . . 19333 1 2 '2D 1H-13C HSQC' . . . 19333 1 3 '3D 1H-13C NOESY' . . . 19333 1 4 '3D 1H-15N NOESY' . . . 19333 1 5 '3D HCCH-TOCSY' . . . 19333 1 6 '3D HNCO' . . . 19333 1 7 '3D CBCA(CO)NH' . . . 19333 1 8 '3D HNCACB' . . . 19333 1 9 '3D HNCA' . . . 19333 1 11 '3D HNHA' . . . 19333 1 12 '3D HCCH-COSY' . . . 19333 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 HIS HA H 1 4.430 0.02 . 1 . . . . 1 HIS HA . 19333 1 2 . 1 1 1 1 HIS CA C 13 57.080 0.15 . 1 . . . . 1 HIS CA . 19333 1 3 . 1 1 1 1 HIS CB C 13 30.770 0.15 . 1 . . . . 1 HIS CB . 19333 1 4 . 1 1 2 2 ASN CB C 13 32.970 0.15 . 1 . . . . 2 ASN CB . 19333 1 5 . 1 1 3 3 LYS H H 1 8.230 0.02 . 1 . . . . 3 LYS HN . 19333 1 6 . 1 1 3 3 LYS HA H 1 4.140 0.02 . 1 . . . . 3 LYS HA . 19333 1 7 . 1 1 3 3 LYS CA C 13 56.310 0.15 . 1 . . . . 3 LYS CA . 19333 1 8 . 1 1 3 3 LYS CB C 13 30.540 0.15 . 1 . . . . 3 LYS CB . 19333 1 9 . 1 1 3 3 LYS N N 15 120.980 0.2 . 1 . . . . 3 LYS N . 19333 1 10 . 1 1 4 4 VAL H H 1 8.150 0.02 . 1 . . . . 4 VAL HN . 19333 1 11 . 1 1 4 4 VAL HA H 1 3.980 0.02 . 1 . . . . 4 VAL HA . 19333 1 12 . 1 1 4 4 VAL CA C 13 62.610 0.15 . 1 . . . . 4 VAL CA . 19333 1 13 . 1 1 4 4 VAL CB C 13 33.020 0.15 . 1 . . . . 4 VAL CB . 19333 1 14 . 1 1 4 4 VAL N N 15 121.200 0.2 . 1 . . . . 4 VAL N . 19333 1 15 . 1 1 5 5 GLY H H 1 8.380 0.02 . 1 . . . A 5 GLY HN . 19333 1 16 . 1 1 5 5 GLY HA2 H 1 4.000 0.02 . 2 . . . A 5 GLY HA . 19333 1 17 . 1 1 5 5 GLY HA3 H 1 4.000 0.02 . 2 . . . A 5 GLY HA . 19333 1 18 . 1 1 5 5 GLY CA C 13 44.990 0.15 . 1 . . . A 5 GLY CA . 19333 1 19 . 1 1 5 5 GLY N N 15 112.470 0.2 . 1 . . . A 5 GLY N . 19333 1 20 . 1 1 6 6 SER H H 1 8.190 0.02 . 1 . . . A 6 SER H . 19333 1 21 . 1 1 6 6 SER HA H 1 4.470 0.02 . 1 . . . A 6 SER HA . 19333 1 22 . 1 1 6 6 SER CA C 13 58.270 0.15 . 1 . . . A 6 SER CA . 19333 1 23 . 1 1 6 6 SER CB C 13 64.320 0.15 . 1 . . . A 6 SER CB . 19333 1 24 . 1 1 6 6 SER N N 15 115.710 0.2 . 1 . . . A 6 SER N . 19333 1 25 . 1 1 7 7 LEU H H 1 8.030 0.02 . 1 . . . A 7 LEU H . 19333 1 26 . 1 1 7 7 LEU HA H 1 4.200 0.02 . 1 . . . A 7 LEU HA . 19333 1 27 . 1 1 7 7 LEU CA C 13 55.340 0.15 . 1 . . . A 7 LEU CA . 19333 1 28 . 1 1 7 7 LEU CB C 13 42.650 0.15 . 1 . . . A 7 LEU CB . 19333 1 29 . 1 1 7 7 LEU N N 15 122.870 0.2 . 1 . . . A 7 LEU N . 19333 1 30 . 1 1 8 8 GLN H H 1 8.270 0.02 . 1 . . . A 8 GLN H . 19333 1 31 . 1 1 8 8 GLN HA H 1 4.230 0.02 . 1 . . . A 8 GLN HA . 19333 1 32 . 1 1 8 8 GLN CA C 13 56.390 0.15 . 1 . . . A 8 GLN CA . 19333 1 33 . 1 1 8 8 GLN CB C 13 29.400 0.15 . 1 . . . A 8 GLN CB . 19333 1 34 . 1 1 8 8 GLN N N 15 120.070 0.2 . 1 . . . A 8 GLN N . 19333 1 35 . 1 1 9 9 TYR CB C 13 33.060 0.15 . 1 . . . A 9 TYR CB . 19333 1 36 . 1 1 10 10 LEU H H 1 8.290 0.02 . 1 . . . A 10 LEU H . 19333 1 37 . 1 1 10 10 LEU HA H 1 4.590 0.02 . 1 . . . A 10 LEU HA . 19333 1 38 . 1 1 10 10 LEU CA C 13 55.550 0.15 . 1 . . . A 10 LEU CA . 19333 1 39 . 1 1 10 10 LEU CB C 13 42.190 0.15 . 1 . . . A 10 LEU CB . 19333 1 40 . 1 1 10 10 LEU N N 15 123.240 0.2 . 1 . . . A 10 LEU N . 19333 1 41 . 1 1 11 11 ALA H H 1 8.040 0.02 . 1 . . . A 11 ALA H . 19333 1 42 . 1 1 11 11 ALA HA H 1 4.260 0.02 . 1 . . . A 11 ALA HA . 19333 1 43 . 1 1 11 11 ALA CA C 13 52.610 0.15 . 1 . . . A 11 ALA CA . 19333 1 44 . 1 1 11 11 ALA CB C 13 19.000 0.15 . 1 . . . A 11 ALA CB . 19333 1 45 . 1 1 11 11 ALA N N 15 123.710 0.2 . 1 . . . A 11 ALA N . 19333 1 46 . 1 1 12 12 LEU H H 1 7.950 0.02 . 1 . . . A 12 LEU H . 19333 1 47 . 1 1 12 12 LEU HA H 1 4.250 0.02 . 1 . . . A 12 LEU HA . 19333 1 48 . 1 1 12 12 LEU CA C 13 55.470 0.15 . 1 . . . A 12 LEU CA . 19333 1 49 . 1 1 12 12 LEU CB C 13 42.440 0.15 . 1 . . . A 12 LEU CB . 19333 1 50 . 1 1 12 12 LEU N N 15 120.350 0.2 . 1 . . . A 12 LEU N . 19333 1 51 . 1 1 13 13 ALA H H 1 8.080 0.02 . 1 . . . A 13 ALA H . 19333 1 52 . 1 1 13 13 ALA HA H 1 4.200 0.02 . 1 . . . A 13 ALA HA . 19333 1 53 . 1 1 13 13 ALA CA C 13 52.730 0.15 . 1 . . . A 13 ALA CA . 19333 1 54 . 1 1 13 13 ALA CB C 13 19.030 0.15 . 1 . . . A 13 ALA CB . 19333 1 55 . 1 1 13 13 ALA N N 15 123.150 0.2 . 1 . . . A 13 ALA N . 19333 1 56 . 1 1 14 14 ALA H H 1 7.910 0.02 . 1 . . . A 14 ALA H . 19333 1 57 . 1 1 14 14 ALA HA H 1 4.280 0.02 . 1 . . . A 14 ALA HA . 19333 1 58 . 1 1 14 14 ALA CA C 13 52.310 0.15 . 1 . . . A 14 ALA CA . 19333 1 59 . 1 1 14 14 ALA CB C 13 19.290 0.15 . 1 . . . A 14 ALA CB . 19333 1 60 . 1 1 14 14 ALA N N 15 120.980 0.2 . 1 . . . A 14 ALA N . 19333 1 61 . 1 1 15 15 LEU H H 1 7.930 0.02 . 1 . . . A 15 LEU H . 19333 1 62 . 1 1 15 15 LEU HA H 1 4.320 0.02 . 1 . . . A 15 LEU HA . 19333 1 63 . 1 1 15 15 LEU CA C 13 54.920 0.15 . 1 . . . A 15 LEU CA . 19333 1 64 . 1 1 15 15 LEU CB C 13 42.680 0.15 . 1 . . . A 15 LEU CB . 19333 1 65 . 1 1 15 15 LEU N N 15 119.930 0.2 . 1 . . . A 15 LEU N . 19333 1 66 . 1 1 16 16 ILE H H 1 7.890 0.02 . 1 . . . A 16 ILE H . 19333 1 67 . 1 1 16 16 ILE HA H 1 4.170 0.02 . 1 . . . A 16 ILE HA . 19333 1 68 . 1 1 16 16 ILE CA C 13 60.460 0.15 . 1 . . . A 16 ILE CA . 19333 1 69 . 1 1 16 16 ILE CB C 13 38.880 0.15 . 1 . . . A 16 ILE CB . 19333 1 70 . 1 1 16 16 ILE N N 15 120.950 0.2 . 1 . . . A 16 ILE N . 19333 1 71 . 1 1 17 17 LYS H H 1 8.290 0.02 . 1 . . . A 17 LYS H . 19333 1 72 . 1 1 17 17 LYS HA H 1 4.620 0.02 . 1 . . . A 17 LYS HA . 19333 1 73 . 1 1 17 17 LYS CA C 13 54.060 0.15 . 1 . . . A 17 LYS CA . 19333 1 74 . 1 1 17 17 LYS CB C 13 33.020 0.15 . 1 . . . A 17 LYS CB . 19333 1 75 . 1 1 17 17 LYS N N 15 126.800 0.2 . 1 . . . A 17 LYS N . 19333 1 76 . 1 1 18 18 PRO HA H 1 4.470 0.02 . 1 . . . A 18 PRO HA . 19333 1 77 . 1 1 18 18 PRO CA C 13 62.240 0.15 . 1 . . . A 18 PRO CA . 19333 1 78 . 1 1 18 18 PRO CB C 13 32.290 0.15 . 1 . . . A 18 PRO CB . 19333 1 79 . 1 1 19 19 LYS H H 1 8.280 0.02 . 1 . . . A 19 LYS H . 19333 1 80 . 1 1 19 19 LYS HA H 1 4.600 0.02 . 1 . . . A 19 LYS HA . 19333 1 81 . 1 1 19 19 LYS CA C 13 52.670 0.15 . 1 . . . A 19 LYS CA . 19333 1 82 . 1 1 19 19 LYS CB C 13 41.780 0.15 . 1 . . . A 19 LYS CB . 19333 1 83 . 1 1 19 19 LYS N N 15 123.270 0.2 . 1 . . . A 19 LYS N . 19333 1 84 . 1 1 20 20 GLN HA H 1 4.240 0.02 . 1 . . . A 20 GLN HA . 19333 1 85 . 1 1 20 20 GLN CA C 13 61.790 0.15 . 1 . . . A 20 GLN CA . 19333 1 86 . 1 1 20 20 GLN CB C 13 30.590 0.15 . 1 . . . A 20 GLN CB . 19333 1 87 . 1 1 21 21 ILE H H 1 8.340 0.02 . 1 . . . A 21 ILE H . 19333 1 88 . 1 1 21 21 ILE HA H 1 4.260 0.02 . 1 . . . A 21 ILE HA . 19333 1 89 . 1 1 21 21 ILE CA C 13 56.170 0.15 . 1 . . . A 21 ILE CA . 19333 1 90 . 1 1 21 21 ILE N N 15 122.790 0.2 . 1 . . . A 21 ILE N . 19333 1 91 . 1 1 22 22 LYS H H 1 8.330 0.02 . 1 . . . A 22 LYS H . 19333 1 92 . 1 1 22 22 LYS HA H 1 4.810 0.02 . 1 . . . A 22 LYS HA . 19333 1 93 . 1 1 22 22 LYS N N 15 124.810 0.2 . 1 . . . A 22 LYS N . 19333 1 94 . 1 1 23 23 PRO HA H 1 4.700 0.02 . 1 . . . A 23 PRO HA . 19333 1 95 . 1 1 23 23 PRO CA C 13 61.150 0.15 . 1 . . . A 23 PRO CA . 19333 1 96 . 1 1 23 23 PRO CB C 13 31.220 0.15 . 1 . . . A 23 PRO CB . 19333 1 97 . 1 1 24 24 PRO HA H 1 4.400 0.02 . 1 . . . A 24 PRO HA . 19333 1 98 . 1 1 24 24 PRO CA C 13 59.110 0.15 . 1 . . . A 24 PRO CA . 19333 1 99 . 1 1 25 25 LEU H H 1 8.400 0.02 . 1 . . . A 25 LEU H . 19333 1 100 . 1 1 25 25 LEU HA H 1 4.310 0.02 . 1 . . . A 25 LEU HA . 19333 1 101 . 1 1 25 25 LEU CA C 13 55.960 0.15 . 1 . . . A 25 LEU CA . 19333 1 102 . 1 1 25 25 LEU CB C 13 32.940 0.15 . 1 . . . A 25 LEU CB . 19333 1 103 . 1 1 25 25 LEU N N 15 121.710 0.2 . 1 . . . A 25 LEU N . 19333 1 104 . 1 1 26 26 PRO HA H 1 4.440 0.02 . 1 . . . A 26 PRO HA . 19333 1 105 . 1 1 26 26 PRO CA C 13 62.730 0.15 . 1 . . . A 26 PRO CA . 19333 1 106 . 1 1 26 26 PRO CB C 13 32.410 0.15 . 1 . . . A 26 PRO CB . 19333 1 107 . 1 1 27 27 SER H H 1 8.340 0.02 . 1 . . . A 27 SER H . 19333 1 108 . 1 1 27 27 SER HA H 1 4.440 0.02 . 1 . . . A 27 SER HA . 19333 1 109 . 1 1 27 27 SER CA C 13 58.020 0.15 . 1 . . . A 27 SER CA . 19333 1 110 . 1 1 27 27 SER CB C 13 64.150 0.15 . 1 . . . A 27 SER CB . 19333 1 111 . 1 1 27 27 SER N N 15 115.780 0.2 . 1 . . . A 27 SER N . 19333 1 112 . 1 1 28 28 VAL H H 1 8.120 0.02 . 1 . . . A 28 VAL H . 19333 1 113 . 1 1 28 28 VAL HA H 1 4.140 0.02 . 1 . . . A 28 VAL HA . 19333 1 114 . 1 1 28 28 VAL CA C 13 62.160 0.15 . 1 . . . A 28 VAL CA . 19333 1 115 . 1 1 28 28 VAL CB C 13 32.930 0.15 . 1 . . . A 28 VAL CB . 19333 1 116 . 1 1 28 28 VAL N N 15 121.980 0.2 . 1 . . . A 28 VAL N . 19333 1 117 . 1 1 29 29 ARG HA H 1 4.330 0.02 . 1 . . . A 29 ARG HA . 19333 1 118 . 1 1 29 29 ARG CA C 13 56.100 0.15 . 1 . . . A 29 ARG CA . 19333 1 119 . 1 1 29 29 ARG CB C 13 31.130 0.15 . 1 . . . A 29 ARG CB . 19333 1 120 . 1 1 30 30 LYS H H 1 7.820 0.02 . 1 . . . A 30 LYS H . 19333 1 121 . 1 1 30 30 LYS HA H 1 4.650 0.02 . 1 . . . A 30 LYS HA . 19333 1 122 . 1 1 30 30 LYS CA C 13 56.860 0.15 . 1 . . . A 30 LYS CA . 19333 1 123 . 1 1 30 30 LYS CB C 13 29.500 0.15 . 1 . . . A 30 LYS CB . 19333 1 124 . 1 1 30 30 LYS N N 15 112.500 0.2 . 1 . . . A 30 LYS N . 19333 1 125 . 1 1 31 31 LEU H H 1 8.090 0.02 . 1 . . . A 31 LEU H . 19333 1 126 . 1 1 31 31 LEU HA H 1 4.610 0.02 . 1 . . . A 31 LEU HA . 19333 1 127 . 1 1 31 31 LEU CA C 13 52.900 0.15 . 1 . . . A 31 LEU CA . 19333 1 128 . 1 1 31 31 LEU CB C 13 38.860 0.15 . 1 . . . A 31 LEU CB . 19333 1 129 . 1 1 31 31 LEU N N 15 119.340 0.2 . 1 . . . A 31 LEU N . 19333 1 130 . 1 1 32 32 THR H H 1 8.030 0.02 . 1 . . . A 32 THR H . 19333 1 131 . 1 1 32 32 THR HA H 1 4.330 0.02 . 1 . . . A 32 THR HA . 19333 1 132 . 1 1 32 32 THR CA C 13 61.510 0.15 . 1 . . . A 32 THR CA . 19333 1 133 . 1 1 32 32 THR CB C 13 69.990 0.15 . 1 . . . A 32 THR CB . 19333 1 134 . 1 1 32 32 THR N N 15 114.030 0.2 . 1 . . . A 32 THR N . 19333 1 135 . 1 1 33 33 GLU H H 1 8.360 0.02 . 1 . . . A 33 GLU H . 19333 1 136 . 1 1 33 33 GLU HA H 1 5.030 0.02 . 1 . . . A 33 GLU HA . 19333 1 137 . 1 1 33 33 GLU CA C 13 55.710 0.15 . 1 . . . A 33 GLU CA . 19333 1 138 . 1 1 33 33 GLU CB C 13 30.860 0.15 . 1 . . . A 33 GLU CB . 19333 1 139 . 1 1 33 33 GLU N N 15 123.520 0.2 . 1 . . . A 33 GLU N . 19333 1 140 . 1 1 34 34 ASP HA H 1 4.480 0.02 . 1 . . . A 34 ASP HA . 19333 1 141 . 1 1 34 34 ASP CA C 13 58.420 0.15 . 1 . . . A 34 ASP CA . 19333 1 142 . 1 1 34 34 ASP CB C 13 38.800 0.15 . 1 . . . A 34 ASP CB . 19333 1 143 . 1 1 35 35 ARG H H 1 8.030 0.02 . 1 . . . A 35 ARG H . 19333 1 144 . 1 1 35 35 ARG HA H 1 4.470 0.02 . 1 . . . A 35 ARG HA . 19333 1 145 . 1 1 35 35 ARG CA C 13 56.980 0.15 . 1 . . . A 35 ARG CA . 19333 1 146 . 1 1 35 35 ARG CB C 13 29.500 0.15 . 1 . . . A 35 ARG CB . 19333 1 147 . 1 1 35 35 ARG N N 15 120.190 0.2 . 1 . . . A 35 ARG N . 19333 1 148 . 1 1 36 36 TRP H H 1 8.100 0.02 . 1 . . . A 36 TRP H . 19333 1 149 . 1 1 36 36 TRP HA H 1 4.680 0.02 . 1 . . . A 36 TRP HA . 19333 1 150 . 1 1 36 36 TRP CA C 13 57.090 0.15 . 1 . . . A 36 TRP CA . 19333 1 151 . 1 1 36 36 TRP CB C 13 29.690 0.15 . 1 . . . A 36 TRP CB . 19333 1 152 . 1 1 36 36 TRP N N 15 120.960 0.2 . 1 . . . A 36 TRP N . 19333 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 19333 _Assigned_chem_shift_list.ID 2 _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 10 '3D HNCACO' . . . 19333 2 13 '2D 1H-15N HSQC' . . . 19333 2 14 '3D HNCO' . . . 19333 2 15 '3D CBCA(CO)NH' . . . 19333 2 16 '3D HNCA' . . . 19333 2 17 '3D HNCACB' . . . 19333 2 18 '3D HNCACO' . . . 19333 2 19 '3D HNHA' . . . 19333 2 20 '3D 1H-13C NOESY' . . . 19333 2 21 '3D 1H-15N NOESY' . . . 19333 2 22 '3D HCCH-TOCSY' . . . 19333 2 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 . 2 2 2 2 ASP H H 1 8.690 0.02 . 1 . . . B 2 ASP H . 19333 2 2 . 2 2 2 2 ASP C C 13 174.770 0.15 . 1 . . . B 2 ASP C . 19333 2 3 . 2 2 2 2 ASP CA C 13 54.650 0.15 . 1 . . . B 2 ASP CA . 19333 2 4 . 2 2 2 2 ASP CB C 13 43.590 0.15 . 1 . . . B 2 ASP CB . 19333 2 5 . 2 2 2 2 ASP N N 15 119.580 0.2 . 1 . . . B 2 ASP N . 19333 2 6 . 2 2 3 3 VAL H H 1 8.510 0.02 . 1 . . . B 3 VAL H . 19333 2 7 . 2 2 3 3 VAL C C 13 172.580 0.15 . 1 . . . B 3 VAL C . 19333 2 8 . 2 2 3 3 VAL CA C 13 59.350 0.15 . 1 . . . B 3 VAL CA . 19333 2 9 . 2 2 3 3 VAL N N 15 115.870 0.2 . 1 . . . B 3 VAL N . 19333 2 10 . 2 2 4 4 PHE C C 13 173.610 0.15 . 1 . . . B 4 PHE C . 19333 2 11 . 2 2 4 4 PHE CA C 13 58.450 0.15 . 1 . . . B 4 PHE CA . 19333 2 12 . 2 2 5 5 LEU H H 1 8.630 0.02 . 1 . . . B 5 LEU H . 19333 2 13 . 2 2 5 5 LEU C C 13 176.280 0.15 . 1 . . . B 5 LEU C . 19333 2 14 . 2 2 5 5 LEU CA C 13 52.990 0.15 . 1 . . . B 5 LEU CA . 19333 2 15 . 2 2 5 5 LEU N N 15 121.430 0.2 . 1 . . . B 5 LEU N . 19333 2 16 . 2 2 6 6 MET H H 1 8.770 0.02 . 1 . . . B 6 MET H . 19333 2 17 . 2 2 6 6 MET C C 13 173.990 0.15 . 1 . . . B 6 MET C . 19333 2 18 . 2 2 6 6 MET CA C 13 54.100 0.15 . 1 . . . B 6 MET CA . 19333 2 19 . 2 2 6 6 MET CB C 13 36.340 0.15 . 1 . . . B 6 MET CB . 19333 2 20 . 2 2 6 6 MET N N 15 120.010 0.2 . 1 . . . B 6 MET N . 19333 2 21 . 2 2 7 7 ILE H H 1 9.550 0.02 . 1 . . . B 7 ILE H . 19333 2 22 . 2 2 7 7 ILE C C 13 175.670 0.15 . 1 . . . B 7 ILE C . 19333 2 23 . 2 2 7 7 ILE CA C 13 59.700 0.15 . 1 . . . B 7 ILE CA . 19333 2 24 . 2 2 7 7 ILE N N 15 126.360 0.2 . 1 . . . B 7 ILE N . 19333 2 25 . 2 2 8 8 ARG H H 1 9.000 0.02 . 1 . . . B 8 ARG H . 19333 2 26 . 2 2 8 8 ARG C C 13 172.720 0.15 . 1 . . . B 8 ARG C . 19333 2 27 . 2 2 8 8 ARG CA C 13 55.430 0.15 . 1 . . . B 8 ARG CA . 19333 2 28 . 2 2 8 8 ARG N N 15 126.240 0.2 . 1 . . . B 8 ARG N . 19333 2 29 . 2 2 9 9 ARG C C 13 175.050 0.15 . 1 . . . B 9 ARG C . 19333 2 30 . 2 2 9 9 ARG CA C 13 55.690 0.15 . 1 . . . B 9 ARG CA . 19333 2 31 . 2 2 9 9 ARG CB C 13 34.350 0.15 . 1 . . . B 9 ARG CB . 19333 2 32 . 2 2 10 10 HIS H H 1 9.990 0.02 . 1 . . . B 10 HIS H . 19333 2 33 . 2 2 10 10 HIS C C 13 175.340 0.15 . 1 . . . B 10 HIS C . 19333 2 34 . 2 2 10 10 HIS CA C 13 57.830 0.15 . 1 . . . B 10 HIS CA . 19333 2 35 . 2 2 10 10 HIS N N 15 126.210 0.2 . 1 . . . B 10 HIS N . 19333 2 36 . 2 2 11 11 LYS H H 1 8.640 0.02 . 1 . . . B 11 LYS H . 19333 2 37 . 2 2 11 11 LYS HA H 1 4.350 0.02 . 1 . . . B 11 LYS HA . 19333 2 38 . 2 2 11 11 LYS C C 13 173.420 0.15 . 1 . . . B 11 LYS C . 19333 2 39 . 2 2 11 11 LYS CA C 13 56.370 0.15 . 1 . . . B 11 LYS CA . 19333 2 40 . 2 2 11 11 LYS CB C 13 32.140 0.15 . 1 . . . B 11 LYS CB . 19333 2 41 . 2 2 11 11 LYS N N 15 127.000 0.2 . 1 . . . B 11 LYS N . 19333 2 42 . 2 2 12 12 THR H H 1 8.990 0.02 . 1 . . . B 12 THR H . 19333 2 43 . 2 2 12 12 THR C C 13 173.310 0.15 . 1 . . . B 12 THR C . 19333 2 44 . 2 2 12 12 THR CA C 13 63.300 0.15 . 1 . . . B 12 THR CA . 19333 2 45 . 2 2 12 12 THR CB C 13 72.340 0.15 . 1 . . . B 12 THR CB . 19333 2 46 . 2 2 12 12 THR N N 15 120.280 0.2 . 1 . . . B 12 THR N . 19333 2 47 . 2 2 13 13 THR H H 1 8.870 0.02 . 1 . . . B 13 THR H . 19333 2 48 . 2 2 13 13 THR C C 13 172.570 0.15 . 1 . . . B 13 THR C . 19333 2 49 . 2 2 13 13 THR CA C 13 62.730 0.15 . 1 . . . B 13 THR CA . 19333 2 50 . 2 2 13 13 THR N N 15 126.140 0.2 . 1 . . . B 13 THR N . 19333 2 51 . 2 2 14 14 ILE H H 1 9.580 0.02 . 1 . . . B 14 ILE H . 19333 2 52 . 2 2 14 14 ILE CA C 13 59.610 0.15 . 1 . . . B 14 ILE CA . 19333 2 53 . 2 2 14 14 ILE CB C 13 42.240 0.15 . 1 . . . B 14 ILE CB . 19333 2 54 . 2 2 14 14 ILE N N 15 127.570 0.2 . 1 . . . B 14 ILE N . 19333 2 55 . 2 2 15 15 PHE H H 1 9.100 0.02 . 1 . . . B 15 PHE H . 19333 2 56 . 2 2 15 15 PHE C C 13 175.270 0.15 . 1 . . . B 15 PHE C . 19333 2 57 . 2 2 15 15 PHE CA C 13 57.800 0.15 . 1 . . . B 15 PHE CA . 19333 2 58 . 2 2 15 15 PHE N N 15 128.550 0.2 . 1 . . . B 15 PHE N . 19333 2 59 . 2 2 16 16 THR H H 1 8.570 0.02 . 1 . . . B 16 THR H . 19333 2 60 . 2 2 16 16 THR CA C 13 61.200 0.15 . 1 . . . B 16 THR CA . 19333 2 61 . 2 2 16 16 THR N N 15 118.610 0.2 . 1 . . . B 16 THR N . 19333 2 62 . 2 2 17 17 ASP C C 13 174.510 0.15 . 1 . . . B 17 ASP C . 19333 2 63 . 2 2 18 18 ALA H H 1 8.480 0.02 . 1 . . . B 18 ALA H . 19333 2 64 . 2 2 18 18 ALA C C 13 175.840 0.15 . 1 . . . B 18 ALA C . 19333 2 65 . 2 2 18 18 ALA CA C 13 56.970 0.15 . 1 . . . B 18 ALA CA . 19333 2 66 . 2 2 18 18 ALA N N 15 119.610 0.2 . 1 . . . B 18 ALA N . 19333 2 67 . 2 2 20 20 GLU H H 1 9.050 0.02 . 1 . . . B 20 GLU H . 19333 2 68 . 2 2 20 20 GLU C C 13 175.960 0.15 . 1 . . . B 20 GLU C . 19333 2 69 . 2 2 20 20 GLU CA C 13 59.820 0.15 . 1 . . . B 20 GLU CA . 19333 2 70 . 2 2 20 20 GLU CB C 13 30.640 0.15 . 1 . . . B 20 GLU CB . 19333 2 71 . 2 2 20 20 GLU N N 15 122.270 0.2 . 1 . . . B 20 GLU N . 19333 2 72 . 2 2 21 21 SER H H 1 7.350 0.02 . 1 . . . B 21 SER H . 19333 2 73 . 2 2 21 21 SER C C 13 174.700 0.15 . 1 . . . B 21 SER C . 19333 2 74 . 2 2 21 21 SER CA C 13 57.580 0.15 . 1 . . . B 21 SER CA . 19333 2 75 . 2 2 21 21 SER N N 15 105.470 0.2 . 1 . . . B 21 SER N . 19333 2 76 . 2 2 22 22 SER H H 1 7.830 0.02 . 1 . . . B 22 SER H . 19333 2 77 . 2 2 22 22 SER HA H 1 4.050 0.02 . 1 . . . B 22 SER HA . 19333 2 78 . 2 2 22 22 SER C C 13 172.800 0.15 . 1 . . . B 22 SER C . 19333 2 79 . 2 2 22 22 SER CA C 13 59.120 0.15 . 1 . . . B 22 SER CA . 19333 2 80 . 2 2 22 22 SER N N 15 121.380 0.2 . 1 . . . B 22 SER N . 19333 2 81 . 2 2 23 23 THR H H 1 8.670 0.02 . 1 . . . B 23 THR H . 19333 2 82 . 2 2 23 23 THR C C 13 176.060 0.15 . 1 . . . B 23 THR C . 19333 2 83 . 2 2 23 23 THR CA C 13 60.080 0.15 . 1 . . . B 23 THR CA . 19333 2 84 . 2 2 23 23 THR CB C 13 72.330 0.15 . 1 . . . B 23 THR CB . 19333 2 85 . 2 2 23 23 THR N N 15 111.700 0.2 . 1 . . . B 23 THR N . 19333 2 86 . 2 2 24 24 VAL H H 1 8.390 0.02 . 1 . . . B 24 VAL H . 19333 2 87 . 2 2 24 24 VAL C C 13 178.000 0.15 . 1 . . . B 24 VAL C . 19333 2 88 . 2 2 24 24 VAL CA C 13 66.450 0.15 . 1 . . . B 24 VAL CA . 19333 2 89 . 2 2 24 24 VAL N N 15 123.310 0.2 . 1 . . . B 24 VAL N . 19333 2 90 . 2 2 25 25 PHE H H 1 8.690 0.02 . 1 . . . B 25 PHE H . 19333 2 91 . 2 2 25 25 PHE CA C 13 62.340 0.15 . 1 . . . B 25 PHE CA . 19333 2 92 . 2 2 25 25 PHE N N 15 120.250 0.2 . 1 . . . B 25 PHE N . 19333 2 93 . 2 2 26 26 GLU H H 1 7.830 0.02 . 1 . . . B 26 GLU H . 19333 2 94 . 2 2 26 26 GLU HA H 1 4.370 0.02 . 1 . . . B 26 GLU HA . 19333 2 95 . 2 2 26 26 GLU CA C 13 59.550 0.15 . 1 . . . B 26 GLU CA . 19333 2 96 . 2 2 26 26 GLU N N 15 117.450 0.2 . 1 . . . B 26 GLU N . 19333 2 97 . 2 2 27 27 LEU H H 1 7.880 0.02 . 1 . . . B 27 LEU H . 19333 2 98 . 2 2 27 27 LEU CA C 13 57.110 0.15 . 1 . . . B 27 LEU CA . 19333 2 99 . 2 2 27 27 LEU N N 15 122.040 0.2 . 1 . . . B 27 LEU N . 19333 2 100 . 2 2 29 29 ARG C C 13 179.120 0.15 . 1 . . . B 29 ARG C . 19333 2 101 . 2 2 29 29 ARG CA C 13 58.390 0.15 . 1 . . . B 29 ARG CA . 19333 2 102 . 2 2 29 29 ARG CB C 13 29.270 0.15 . 1 . . . B 29 ARG CB . 19333 2 103 . 2 2 30 30 ILE H H 1 7.540 0.02 . 1 . . . B 30 ILE H . 19333 2 104 . 2 2 30 30 ILE HA H 1 4.050 0.02 . 1 . . . B 30 ILE HA . 19333 2 105 . 2 2 30 30 ILE C C 13 178.760 0.15 . 1 . . . B 30 ILE C . 19333 2 106 . 2 2 30 30 ILE CA C 13 64.370 0.15 . 1 . . . B 30 ILE CA . 19333 2 107 . 2 2 30 30 ILE CB C 13 42.040 0.15 . 1 . . . B 30 ILE CB . 19333 2 108 . 2 2 30 30 ILE N N 15 123.950 0.2 . 1 . . . B 30 ILE N . 19333 2 109 . 2 2 31 31 VAL H H 1 7.930 0.02 . 1 . . . B 31 VAL H . 19333 2 110 . 2 2 31 31 VAL C C 13 177.710 0.15 . 1 . . . B 31 VAL C . 19333 2 111 . 2 2 31 31 VAL CA C 13 66.830 0.15 . 1 . . . B 31 VAL CA . 19333 2 112 . 2 2 31 31 VAL N N 15 120.780 0.2 . 1 . . . B 31 VAL N . 19333 2 113 . 2 2 32 32 GLU H H 1 8.750 0.02 . 1 . . . B 32 GLU H . 19333 2 114 . 2 2 32 32 GLU HA H 1 4.110 0.02 . 1 . . . B 32 GLU HA . 19333 2 115 . 2 2 32 32 GLU C C 13 178.490 0.15 . 1 . . . B 32 GLU C . 19333 2 116 . 2 2 32 32 GLU CA C 13 59.210 0.15 . 1 . . . B 32 GLU CA . 19333 2 117 . 2 2 32 32 GLU CB C 13 34.260 0.15 . 1 . . . B 32 GLU CB . 19333 2 118 . 2 2 32 32 GLU N N 15 123.250 0.2 . 1 . . . B 32 GLU N . 19333 2 119 . 2 2 33 33 GLY H H 1 7.570 0.02 . 1 . . . B 33 GLY H . 19333 2 120 . 2 2 33 33 GLY HA2 H 1 3.600 0.02 . 2 . . . B 33 GLY HA . 19333 2 121 . 2 2 33 33 GLY HA3 H 1 3.600 0.02 . 2 . . . B 33 GLY HA . 19333 2 122 . 2 2 33 33 GLY C C 13 173.410 0.15 . 1 . . . B 33 GLY C . 19333 2 123 . 2 2 33 33 GLY CA C 13 46.330 0.15 . 1 . . . B 33 GLY CA . 19333 2 124 . 2 2 33 33 GLY N N 15 105.650 0.2 . 1 . . . B 33 GLY N . 19333 2 125 . 2 2 34 34 ILE H H 1 7.210 0.02 . 1 . . . B 34 ILE H . 19333 2 126 . 2 2 34 34 ILE C C 13 176.270 0.15 . 1 . . . B 34 ILE C . 19333 2 127 . 2 2 34 34 ILE CA C 13 63.370 0.15 . 1 . . . B 34 ILE CA . 19333 2 128 . 2 2 34 34 ILE N N 15 119.390 0.2 . 1 . . . B 34 ILE N . 19333 2 129 . 2 2 35 35 LEU H H 1 8.820 0.02 . 1 . . . B 35 LEU H . 19333 2 130 . 2 2 35 35 LEU HA H 1 4.190 0.02 . 1 . . . B 35 LEU HA . 19333 2 131 . 2 2 35 35 LEU C C 13 176.320 0.15 . 1 . . . B 35 LEU C . 19333 2 132 . 2 2 35 35 LEU CA C 13 53.800 0.15 . 1 . . . B 35 LEU CA . 19333 2 133 . 2 2 35 35 LEU CB C 13 40.970 0.15 . 1 . . . B 35 LEU CB . 19333 2 134 . 2 2 35 35 LEU N N 15 116.290 0.2 . 1 . . . B 35 LEU N . 19333 2 135 . 2 2 36 36 LYS H H 1 7.850 0.02 . 1 . . . B 36 LYS H . 19333 2 136 . 2 2 36 36 LYS C C 13 174.990 0.15 . 1 . . . B 36 LYS C . 19333 2 137 . 2 2 36 36 LYS CA C 13 56.430 0.15 . 1 . . . B 36 LYS CA . 19333 2 138 . 2 2 36 36 LYS CB C 13 27.680 0.15 . 1 . . . B 36 LYS CB . 19333 2 139 . 2 2 36 36 LYS N N 15 113.440 0.2 . 1 . . . B 36 LYS N . 19333 2 140 . 2 2 37 37 ARG H H 1 6.300 0.02 . 1 . . . B 37 ARG H . 19333 2 141 . 2 2 37 37 ARG C C 13 172.940 0.15 . 1 . . . B 37 ARG C . 19333 2 142 . 2 2 37 37 ARG CA C 13 50.240 0.15 . 1 . . . B 37 ARG CA . 19333 2 143 . 2 2 37 37 ARG N N 15 116.660 0.2 . 1 . . . B 37 ARG N . 19333 2 144 . 2 2 39 39 PRO C C 13 177.190 0.15 . 1 . . . B 39 PRO C . 19333 2 145 . 2 2 39 39 PRO CA C 13 65.910 0.15 . 1 . . . B 39 PRO CA . 19333 2 146 . 2 2 40 40 ASP H H 1 8.540 0.02 . 1 . . . B 40 ASP H . 19333 2 147 . 2 2 40 40 ASP C C 13 176.620 0.15 . 1 . . . B 40 ASP C . 19333 2 148 . 2 2 40 40 ASP CA C 13 55.150 0.15 . 1 . . . B 40 ASP CA . 19333 2 149 . 2 2 40 40 ASP N N 15 112.670 0.2 . 1 . . . B 40 ASP N . 19333 2 150 . 2 2 41 41 GLU H H 1 8.150 0.02 . 1 . . . B 41 GLU H . 19333 2 151 . 2 2 41 41 GLU C C 13 173.090 0.15 . 1 . . . B 41 GLU C . 19333 2 152 . 2 2 41 41 GLU N N 15 118.740 0.2 . 1 . . . B 41 GLU N . 19333 2 153 . 2 2 42 42 GLN C C 13 175.720 0.15 . 1 . . . B 42 GLN C . 19333 2 154 . 2 2 42 42 GLN CA C 13 55.120 0.15 . 1 . . . B 42 GLN CA . 19333 2 155 . 2 2 42 42 GLN CB C 13 29.900 0.15 . 1 . . . B 42 GLN CB . 19333 2 156 . 2 2 43 43 ARG H H 1 9.220 0.02 . 1 . . . B 43 ARG H . 19333 2 157 . 2 2 43 43 ARG C C 13 173.200 0.15 . 1 . . . B 43 ARG C . 19333 2 158 . 2 2 43 43 ARG N N 15 123.060 0.2 . 1 . . . B 43 ARG N . 19333 2 159 . 2 2 44 44 LEU C C 13 174.710 0.15 . 1 . . . B 44 LEU C . 19333 2 160 . 2 2 44 44 LEU CA C 13 52.050 0.15 . 1 . . . B 44 LEU CA . 19333 2 161 . 2 2 45 45 TYR H H 1 9.160 0.02 . 1 . . . B 45 TYR H . 19333 2 162 . 2 2 45 45 TYR C C 13 175.600 0.15 . 1 . . . B 45 TYR C . 19333 2 163 . 2 2 45 45 TYR CA C 13 56.750 0.15 . 1 . . . B 45 TYR CA . 19333 2 164 . 2 2 45 45 TYR N N 15 118.560 0.2 . 1 . . . B 45 TYR N . 19333 2 165 . 2 2 46 46 LYS H H 1 8.710 0.02 . 1 . . . B 46 LYS H . 19333 2 166 . 2 2 46 46 LYS C C 13 175.850 0.15 . 1 . . . B 46 LYS C . 19333 2 167 . 2 2 46 46 LYS CA C 13 55.240 0.15 . 1 . . . B 46 LYS CA . 19333 2 168 . 2 2 46 46 LYS CB C 13 29.610 0.15 . 1 . . . B 46 LYS CB . 19333 2 169 . 2 2 46 46 LYS N N 15 121.400 0.2 . 1 . . . B 46 LYS N . 19333 2 170 . 2 2 47 47 ASP H H 1 9.780 0.02 . 1 . . . B 47 ASP H . 19333 2 171 . 2 2 47 47 ASP C C 13 173.760 0.15 . 1 . . . B 47 ASP C . 19333 2 172 . 2 2 47 47 ASP CA C 13 56.460 0.15 . 1 . . . B 47 ASP CA . 19333 2 173 . 2 2 47 47 ASP N N 15 129.690 0.2 . 1 . . . B 47 ASP N . 19333 2 174 . 2 2 48 48 ASP H H 1 8.360 0.02 . 1 . . . B 48 ASP H . 19333 2 175 . 2 2 48 48 ASP CA C 13 61.540 0.15 . 1 . . . B 48 ASP CA . 19333 2 176 . 2 2 48 48 ASP N N 15 117.370 0.2 . 1 . . . B 48 ASP N . 19333 2 177 . 2 2 49 49 GLN C C 13 173.820 0.15 . 1 . . . B 49 GLN C . 19333 2 178 . 2 2 49 49 GLN CA C 13 54.520 0.15 . 1 . . . B 49 GLN CA . 19333 2 179 . 2 2 49 49 GLN CB C 13 30.290 0.15 . 1 . . . B 49 GLN CB . 19333 2 180 . 2 2 50 50 LEU H H 1 8.450 0.02 . 1 . . . B 50 LEU H . 19333 2 181 . 2 2 50 50 LEU C C 13 176.570 0.15 . 1 . . . B 50 LEU C . 19333 2 182 . 2 2 50 50 LEU CA C 13 54.830 0.15 . 1 . . . B 50 LEU CA . 19333 2 183 . 2 2 50 50 LEU N N 15 128.950 0.2 . 1 . . . B 50 LEU N . 19333 2 184 . 2 2 51 51 LEU H H 1 8.800 0.02 . 1 . . . B 51 LEU H . 19333 2 185 . 2 2 51 51 LEU C C 13 175.160 0.15 . 1 . . . B 51 LEU C . 19333 2 186 . 2 2 51 51 LEU CA C 13 53.230 0.15 . 1 . . . B 51 LEU CA . 19333 2 187 . 2 2 51 51 LEU N N 15 128.710 0.2 . 1 . . . B 51 LEU N . 19333 2 188 . 2 2 52 52 ASP C C 13 175.350 0.15 . 1 . . . B 52 ASP C . 19333 2 189 . 2 2 52 52 ASP CA C 13 53.780 0.15 . 1 . . . B 52 ASP CA . 19333 2 190 . 2 2 53 53 ASP H H 1 8.150 0.02 . 1 . . . B 53 ASP H . 19333 2 191 . 2 2 53 53 ASP C C 13 176.570 0.15 . 1 . . . B 53 ASP C . 19333 2 192 . 2 2 53 53 ASP CA C 13 57.220 0.15 . 1 . . . B 53 ASP CA . 19333 2 193 . 2 2 53 53 ASP N N 15 123.010 0.2 . 1 . . . B 53 ASP N . 19333 2 194 . 2 2 54 54 GLY H H 1 8.430 0.02 . 1 . . . B 54 GLY H . 19333 2 195 . 2 2 54 54 GLY HA2 H 1 3.260 0.02 . 2 . . . B 54 GLY HA . 19333 2 196 . 2 2 54 54 GLY HA3 H 1 3.260 0.02 . 2 . . . B 54 GLY HA . 19333 2 197 . 2 2 54 54 GLY C C 13 174.610 0.15 . 1 . . . B 54 GLY C . 19333 2 198 . 2 2 54 54 GLY CA C 13 44.630 0.15 . 1 . . . B 54 GLY CA . 19333 2 199 . 2 2 54 54 GLY N N 15 103.080 0.2 . 1 . . . B 54 GLY N . 19333 2 200 . 2 2 55 55 LYS H H 1 7.550 0.02 . 1 . . . B 55 LYS H . 19333 2 201 . 2 2 55 55 LYS HA H 1 4.320 0.02 . 1 . . . B 55 LYS HA . 19333 2 202 . 2 2 55 55 LYS C C 13 175.920 0.15 . 1 . . . B 55 LYS C . 19333 2 203 . 2 2 55 55 LYS CA C 13 55.060 0.15 . 1 . . . B 55 LYS CA . 19333 2 204 . 2 2 55 55 LYS CB C 13 29.680 0.15 . 1 . . . B 55 LYS CB . 19333 2 205 . 2 2 55 55 LYS N N 15 120.880 0.2 . 1 . . . B 55 LYS N . 19333 2 206 . 2 2 56 56 THR H H 1 8.720 0.02 . 1 . . . B 56 THR H . 19333 2 207 . 2 2 56 56 THR C C 13 176.440 0.15 . 1 . . . B 56 THR C . 19333 2 208 . 2 2 56 56 THR CA C 13 59.990 0.15 . 1 . . . B 56 THR CA . 19333 2 209 . 2 2 56 56 THR N N 15 110.520 0.2 . 1 . . . B 56 THR N . 19333 2 210 . 2 2 57 57 LEU H H 1 9.100 0.02 . 1 . . . B 57 LEU H . 19333 2 211 . 2 2 57 57 LEU C C 13 180.540 0.15 . 1 . . . B 57 LEU C . 19333 2 212 . 2 2 57 57 LEU CA C 13 58.320 0.15 . 1 . . . B 57 LEU CA . 19333 2 213 . 2 2 57 57 LEU N N 15 122.100 0.2 . 1 . . . B 57 LEU N . 19333 2 214 . 2 2 58 58 GLY H H 1 9.560 0.02 . 1 . . . B 58 GLY H . 19333 2 215 . 2 2 58 58 GLY HA2 H 1 3.840 0.02 . 2 . . . B 58 GLY HA . 19333 2 216 . 2 2 58 58 GLY HA3 H 1 3.840 0.02 . 2 . . . B 58 GLY HA . 19333 2 217 . 2 2 58 58 GLY C C 13 177.930 0.15 . 1 . . . B 58 GLY C . 19333 2 218 . 2 2 58 58 GLY CA C 13 46.890 0.15 . 1 . . . B 58 GLY CA . 19333 2 219 . 2 2 58 58 GLY N N 15 108.780 0.2 . 1 . . . B 58 GLY N . 19333 2 220 . 2 2 59 59 GLU C C 13 178.310 0.15 . 1 . . . B 59 GLU C . 19333 2 221 . 2 2 59 59 GLU CA C 13 58.380 0.15 . 1 . . . B 59 GLU CA . 19333 2 222 . 2 2 60 60 CYS H H 1 7.700 0.02 . 1 . . . B 60 CYS H . 19333 2 223 . 2 2 60 60 CYS C C 13 173.100 0.15 . 1 . . . B 60 CYS C . 19333 2 224 . 2 2 60 60 CYS CA C 13 60.210 0.15 . 1 . . . B 60 CYS CA . 19333 2 225 . 2 2 60 60 CYS N N 15 116.750 0.2 . 1 . . . B 60 CYS N . 19333 2 226 . 2 2 61 61 GLY H H 1 7.610 0.02 . 1 . . . B 61 GLY H . 19333 2 227 . 2 2 61 61 GLY HA2 H 1 3.820 0.02 . 2 . . . B 61 GLY HA . 19333 2 228 . 2 2 61 61 GLY HA3 H 1 3.820 0.02 . 2 . . . B 61 GLY HA . 19333 2 229 . 2 2 61 61 GLY C C 13 173.720 0.15 . 1 . . . B 61 GLY C . 19333 2 230 . 2 2 61 61 GLY CA C 13 44.020 0.15 . 1 . . . B 61 GLY CA . 19333 2 231 . 2 2 61 61 GLY N N 15 104.660 0.2 . 1 . . . B 61 GLY N . 19333 2 232 . 2 2 62 62 PHE H H 1 8.140 0.02 . 1 . . . B 62 PHE H . 19333 2 233 . 2 2 62 62 PHE C C 13 171.770 0.15 . 1 . . . B 62 PHE C . 19333 2 234 . 2 2 62 62 PHE CA C 13 55.670 0.15 . 1 . . . B 62 PHE CA . 19333 2 235 . 2 2 62 62 PHE N N 15 123.350 0.2 . 1 . . . B 62 PHE N . 19333 2 236 . 2 2 63 63 THR H H 1 7.510 0.02 . 1 . . . B 63 THR H . 19333 2 237 . 2 2 63 63 THR C C 13 175.250 0.15 . 1 . . . B 63 THR C . 19333 2 238 . 2 2 63 63 THR CA C 13 57.900 0.15 . 1 . . . B 63 THR CA . 19333 2 239 . 2 2 63 63 THR N N 15 109.970 0.2 . 1 . . . B 63 THR N . 19333 2 240 . 2 2 64 64 SER H H 1 9.730 0.02 . 1 . . . B 64 SER H . 19333 2 241 . 2 2 64 64 SER C C 13 175.760 0.15 . 1 . . . B 64 SER C . 19333 2 242 . 2 2 64 64 SER CA C 13 60.980 0.15 . 1 . . . B 64 SER CA . 19333 2 243 . 2 2 64 64 SER N N 15 118.620 0.2 . 1 . . . B 64 SER N . 19333 2 244 . 2 2 65 65 GLN H H 1 7.990 0.02 . 1 . . . B 65 GLN H . 19333 2 245 . 2 2 65 65 GLN HA H 1 4.230 0.02 . 1 . . . B 65 GLN HA . 19333 2 246 . 2 2 65 65 GLN C C 13 176.730 0.15 . 1 . . . B 65 GLN C . 19333 2 247 . 2 2 65 65 GLN CA C 13 57.410 0.15 . 1 . . . B 65 GLN CA . 19333 2 248 . 2 2 65 65 GLN CB C 13 33.860 0.15 . 1 . . . B 65 GLN CB . 19333 2 249 . 2 2 65 65 GLN N N 15 116.340 0.2 . 1 . . . B 65 GLN N . 19333 2 250 . 2 2 66 66 THR H H 1 7.570 0.02 . 1 . . . B 66 THR H . 19333 2 251 . 2 2 66 66 THR C C 13 173.850 0.15 . 1 . . . B 66 THR C . 19333 2 252 . 2 2 66 66 THR CA C 13 61.180 0.15 . 1 . . . B 66 THR CA . 19333 2 253 . 2 2 66 66 THR CB C 13 70.860 0.15 . 1 . . . B 66 THR CB . 19333 2 254 . 2 2 66 66 THR N N 15 108.340 0.2 . 1 . . . B 66 THR N . 19333 2 255 . 2 2 67 67 ALA H H 1 8.330 0.02 . 1 . . . B 67 ALA H . 19333 2 256 . 2 2 67 67 ALA C C 13 175.000 0.15 . 1 . . . B 67 ALA C . 19333 2 257 . 2 2 67 67 ALA CA C 13 51.260 0.15 . 1 . . . B 67 ALA CA . 19333 2 258 . 2 2 67 67 ALA CB C 13 18.740 0.15 . 1 . . . B 67 ALA CB . 19333 2 259 . 2 2 67 67 ALA N N 15 131.710 0.2 . 1 . . . B 67 ALA N . 19333 2 260 . 2 2 68 68 ARG H H 1 7.400 0.02 . 1 . . . B 68 ARG H . 19333 2 261 . 2 2 68 68 ARG C C 13 175.220 0.15 . 1 . . . B 68 ARG C . 19333 2 262 . 2 2 68 68 ARG CA C 13 54.120 0.15 . 1 . . . B 68 ARG CA . 19333 2 263 . 2 2 68 68 ARG N N 15 122.600 0.2 . 1 . . . B 68 ARG N . 19333 2 264 . 2 2 69 69 PRO CB C 13 33.510 0.15 . 1 . . . B 69 PRO CB . 19333 2 265 . 2 2 70 70 GLN H H 1 7.770 0.02 . 1 . . . B 70 GLN H . 19333 2 266 . 2 2 70 70 GLN C C 13 173.480 0.15 . 1 . . . B 70 GLN C . 19333 2 267 . 2 2 70 70 GLN CA C 13 55.000 0.15 . 1 . . . B 70 GLN CA . 19333 2 268 . 2 2 70 70 GLN N N 15 117.420 0.2 . 1 . . . B 70 GLN N . 19333 2 269 . 2 2 71 71 ALA H H 1 7.450 0.02 . 1 . . . B 71 ALA H . 19333 2 270 . 2 2 71 71 ALA CA C 13 50.560 0.15 . 1 . . . B 71 ALA CA . 19333 2 271 . 2 2 71 71 ALA CB C 13 17.900 0.15 . 1 . . . B 71 ALA CB . 19333 2 272 . 2 2 71 71 ALA N N 15 122.670 0.2 . 1 . . . B 71 ALA N . 19333 2 273 . 2 2 72 72 PRO C C 13 176.640 0.15 . 1 . . . B 72 PRO C . 19333 2 274 . 2 2 72 72 PRO CA C 13 62.790 0.15 . 1 . . . B 72 PRO CA . 19333 2 275 . 2 2 73 73 ALA H H 1 8.020 0.02 . 1 . . . B 73 ALA H . 19333 2 276 . 2 2 73 73 ALA C C 13 176.150 0.15 . 1 . . . B 73 ALA C . 19333 2 277 . 2 2 73 73 ALA CA C 13 51.130 0.15 . 1 . . . B 73 ALA CA . 19333 2 278 . 2 2 73 73 ALA CB C 13 21.340 0.15 . 1 . . . B 73 ALA CB . 19333 2 279 . 2 2 73 73 ALA N N 15 122.850 0.2 . 1 . . . B 73 ALA N . 19333 2 280 . 2 2 74 74 THR H H 1 8.430 0.02 . 1 . . . B 74 THR H . 19333 2 281 . 2 2 74 74 THR C C 13 173.980 0.15 . 1 . . . B 74 THR C . 19333 2 282 . 2 2 74 74 THR CA C 13 63.660 0.15 . 1 . . . B 74 THR CA . 19333 2 283 . 2 2 74 74 THR N N 15 118.000 0.2 . 1 . . . B 74 THR N . 19333 2 284 . 2 2 75 75 VAL H H 1 9.370 0.02 . 1 . . . B 75 VAL H . 19333 2 285 . 2 2 75 75 VAL C C 13 174.730 0.15 . 1 . . . B 75 VAL C . 19333 2 286 . 2 2 75 75 VAL CA C 13 59.750 0.15 . 1 . . . B 75 VAL CA . 19333 2 287 . 2 2 75 75 VAL CB C 13 35.040 0.15 . 1 . . . B 75 VAL CB . 19333 2 288 . 2 2 75 75 VAL N N 15 132.160 0.2 . 1 . . . B 75 VAL N . 19333 2 289 . 2 2 76 76 GLY H H 1 9.370 0.02 . 1 . . . B 76 GLY H . 19333 2 290 . 2 2 76 76 GLY C C 13 171.040 0.15 . 1 . . . B 76 GLY C . 19333 2 291 . 2 2 76 76 GLY CA C 13 45.070 0.15 . 1 . . . B 76 GLY CA . 19333 2 292 . 2 2 76 76 GLY N N 15 115.980 0.2 . 1 . . . B 76 GLY N . 19333 2 293 . 2 2 77 77 LEU H H 1 8.060 0.02 . 1 . . . B 77 LEU H . 19333 2 294 . 2 2 77 77 LEU C C 13 172.410 0.15 . 1 . . . B 77 LEU C . 19333 2 295 . 2 2 77 77 LEU CA C 13 53.070 0.15 . 1 . . . B 77 LEU CA . 19333 2 296 . 2 2 77 77 LEU N N 15 126.440 0.2 . 1 . . . B 77 LEU N . 19333 2 297 . 2 2 78 78 ALA H H 1 9.040 0.02 . 1 . . . B 78 ALA H . 19333 2 298 . 2 2 78 78 ALA HA H 1 4.250 0.02 . 1 . . . B 78 ALA HA . 19333 2 299 . 2 2 78 78 ALA C C 13 175.390 0.15 . 1 . . . B 78 ALA C . 19333 2 300 . 2 2 78 78 ALA CA C 13 49.620 0.15 . 1 . . . B 78 ALA CA . 19333 2 301 . 2 2 78 78 ALA CB C 13 21.850 0.15 . 1 . . . B 78 ALA CB . 19333 2 302 . 2 2 78 78 ALA N N 15 127.660 0.2 . 1 . . . B 78 ALA N . 19333 2 303 . 2 2 79 79 PHE H H 1 8.840 0.02 . 1 . . . B 79 PHE H . 19333 2 304 . 2 2 79 79 PHE C C 13 176.500 0.15 . 1 . . . B 79 PHE C . 19333 2 305 . 2 2 79 79 PHE CA C 13 52.800 0.15 . 1 . . . B 79 PHE CA . 19333 2 306 . 2 2 79 79 PHE N N 15 118.800 0.2 . 1 . . . B 79 PHE N . 19333 2 307 . 2 2 80 80 ARG C C 13 173.920 0.15 . 1 . . . B 80 ARG C . 19333 2 308 . 2 2 80 80 ARG CA C 13 56.050 0.15 . 1 . . . B 80 ARG CA . 19333 2 309 . 2 2 80 80 ARG CB C 13 32.360 0.15 . 1 . . . B 80 ARG CB . 19333 2 310 . 2 2 81 81 ALA H H 1 8.400 0.02 . 1 . . . B 81 ALA H . 19333 2 311 . 2 2 81 81 ALA C C 13 175.460 0.15 . 1 . . . B 81 ALA C . 19333 2 312 . 2 2 81 81 ALA CA C 13 51.280 0.15 . 1 . . . B 81 ALA CA . 19333 2 313 . 2 2 81 81 ALA N N 15 131.540 0.2 . 1 . . . B 81 ALA N . 19333 2 314 . 2 2 82 82 ASP H H 1 8.610 0.02 . 1 . . . B 82 ASP H . 19333 2 315 . 2 2 82 82 ASP C C 13 174.520 0.15 . 1 . . . B 82 ASP C . 19333 2 316 . 2 2 82 82 ASP CA C 13 55.770 0.15 . 1 . . . B 82 ASP CA . 19333 2 317 . 2 2 82 82 ASP N N 15 121.990 0.2 . 1 . . . B 82 ASP N . 19333 2 318 . 2 2 83 83 ASP C C 13 175.190 0.15 . 1 . . . B 83 ASP C . 19333 2 319 . 2 2 83 83 ASP CA C 13 54.630 0.15 . 1 . . . B 83 ASP CA . 19333 2 320 . 2 2 84 84 THR H H 1 7.850 0.02 . 1 . . . B 84 THR H . 19333 2 321 . 2 2 84 84 THR C C 13 173.080 0.15 . 1 . . . B 84 THR C . 19333 2 322 . 2 2 84 84 THR CA C 13 59.600 0.15 . 1 . . . B 84 THR CA . 19333 2 323 . 2 2 84 84 THR CB C 13 71.110 0.15 . 1 . . . B 84 THR CB . 19333 2 324 . 2 2 84 84 THR N N 15 114.220 0.2 . 1 . . . B 84 THR N . 19333 2 325 . 2 2 85 85 PHE H H 1 8.930 0.02 . 1 . . . B 85 PHE H . 19333 2 326 . 2 2 85 85 PHE CA C 13 59.260 0.15 . 1 . . . B 85 PHE CA . 19333 2 327 . 2 2 85 85 PHE N N 15 122.940 0.2 . 1 . . . B 85 PHE N . 19333 2 328 . 2 2 88 88 LEU C C 13 176.480 0.15 . 1 . . . B 88 LEU C . 19333 2 329 . 2 2 88 88 LEU CA C 13 55.090 0.15 . 1 . . . B 88 LEU CA . 19333 2 330 . 2 2 89 89 CYS H H 1 9.160 0.02 . 1 . . . B 89 CYS H . 19333 2 331 . 2 2 89 89 CYS C C 13 172.280 0.15 . 1 . . . B 89 CYS C . 19333 2 332 . 2 2 89 89 CYS CA C 13 58.140 0.15 . 1 . . . B 89 CYS CA . 19333 2 333 . 2 2 89 89 CYS CB C 13 26.800 0.15 . 1 . . . B 89 CYS CB . 19333 2 334 . 2 2 89 89 CYS N N 15 130.600 0.2 . 1 . . . B 89 CYS N . 19333 2 335 . 2 2 90 90 ILE H H 1 8.700 0.02 . 1 . . . B 90 ILE H . 19333 2 336 . 2 2 90 90 ILE HA H 1 4.140 0.02 . 1 . . . B 90 ILE HA . 19333 2 337 . 2 2 90 90 ILE C C 13 175.260 0.15 . 1 . . . B 90 ILE C . 19333 2 338 . 2 2 90 90 ILE CA C 13 61.110 0.15 . 1 . . . B 90 ILE CA . 19333 2 339 . 2 2 90 90 ILE N N 15 130.830 0.2 . 1 . . . B 90 ILE N . 19333 2 340 . 2 2 91 91 GLU H H 1 8.250 0.02 . 1 . . . B 91 GLU H . 19333 2 341 . 2 2 91 91 GLU C C 13 172.730 0.15 . 1 . . . B 91 GLU C . 19333 2 342 . 2 2 91 91 GLU CA C 13 53.520 0.15 . 1 . . . B 91 GLU CA . 19333 2 343 . 2 2 91 91 GLU N N 15 131.330 0.2 . 1 . . . B 91 GLU N . 19333 2 344 . 2 2 93 93 PHE C C 13 175.520 0.15 . 1 . . . B 93 PHE C . 19333 2 345 . 2 2 93 93 PHE CA C 13 54.680 0.15 . 1 . . . B 93 PHE CA . 19333 2 346 . 2 2 94 94 SER H H 1 8.440 0.02 . 1 . . . B 94 SER H . 19333 2 347 . 2 2 94 94 SER C C 13 172.630 0.15 . 1 . . . B 94 SER C . 19333 2 348 . 2 2 94 94 SER CA C 13 58.640 0.15 . 1 . . . B 94 SER CA . 19333 2 349 . 2 2 94 94 SER N N 15 115.170 0.2 . 1 . . . B 94 SER N . 19333 2 350 . 2 2 95 95 SER H H 1 8.330 0.02 . 1 . . . B 95 SER H . 19333 2 351 . 2 2 95 95 SER C C 13 171.500 0.15 . 1 . . . B 95 SER C . 19333 2 352 . 2 2 95 95 SER CA C 13 55.680 0.15 . 1 . . . B 95 SER CA . 19333 2 353 . 2 2 95 95 SER N N 15 114.850 0.2 . 1 . . . B 95 SER N . 19333 2 354 . 2 2 97 97 PRO CA C 13 62.630 0.15 . 1 . . . B 97 PRO CA . 19333 2 355 . 2 2 98 98 GLU H H 1 8.400 0.02 . 1 . . . B 98 GLU H . 19333 2 356 . 2 2 98 98 GLU C C 13 175.530 0.15 . 1 . . . B 98 GLU C . 19333 2 357 . 2 2 98 98 GLU CA C 13 55.670 0.15 . 1 . . . B 98 GLU CA . 19333 2 358 . 2 2 98 98 GLU N N 15 121.540 0.2 . 1 . . . B 98 GLU N . 19333 2 359 . 2 2 99 99 LEU H H 1 8.330 0.02 . 1 . . . B 99 LEU H . 19333 2 360 . 2 2 99 99 LEU C C 13 174.700 0.15 . 1 . . . B 99 LEU C . 19333 2 361 . 2 2 99 99 LEU CA C 13 52.200 0.15 . 1 . . . B 99 LEU CA . 19333 2 362 . 2 2 99 99 LEU CB C 13 41.800 0.15 . 1 . . . B 99 LEU CB . 19333 2 363 . 2 2 99 99 LEU N N 15 125.670 0.2 . 1 . . . B 99 LEU N . 19333 2 364 . 2 2 100 100 PRO HA H 1 4.350 0.02 . 1 . . . B 100 PRO HA . 19333 2 365 . 2 2 100 100 PRO CA C 13 62.590 0.15 . 1 . . . B 100 PRO CA . 19333 2 366 . 2 2 100 100 PRO CB C 13 32.040 0.15 . 1 . . . B 100 PRO CB . 19333 2 367 . 2 2 101 101 ASP H H 1 8.360 0.02 . 1 . . . B 101 ASP H . 19333 2 368 . 2 2 101 101 ASP HA H 1 4.480 0.02 . 1 . . . B 101 ASP HA . 19333 2 369 . 2 2 101 101 ASP C C 13 176.020 0.15 . 1 . . . B 101 ASP C . 19333 2 370 . 2 2 101 101 ASP CA C 13 53.980 0.15 . 1 . . . B 101 ASP CA . 19333 2 371 . 2 2 101 101 ASP CB C 13 41.080 0.15 . 1 . . . B 101 ASP CB . 19333 2 372 . 2 2 101 101 ASP N N 15 120.770 0.2 . 1 . . . B 101 ASP N . 19333 2 373 . 2 2 102 102 VAL H H 1 7.980 0.02 . 1 . . . B 102 VAL H . 19333 2 374 . 2 2 102 102 VAL HA H 1 4.020 0.02 . 1 . . . B 102 VAL HA . 19333 2 375 . 2 2 102 102 VAL C C 13 175.540 0.15 . 1 . . . B 102 VAL C . 19333 2 376 . 2 2 102 102 VAL CA C 13 61.900 0.15 . 1 . . . B 102 VAL CA . 19333 2 377 . 2 2 102 102 VAL CB C 13 32.610 0.15 . 1 . . . B 102 VAL CB . 19333 2 378 . 2 2 102 102 VAL N N 15 120.180 0.2 . 1 . . . B 102 VAL N . 19333 2 379 . 2 2 103 103 MET H H 1 8.330 0.02 . 1 . . . B 103 MET H . 19333 2 380 . 2 2 103 103 MET HA H 1 4.400 0.02 . 1 . . . B 103 MET HA . 19333 2 381 . 2 2 103 103 MET C C 13 175.250 0.15 . 1 . . . B 103 MET C . 19333 2 382 . 2 2 103 103 MET CA C 13 54.650 0.15 . 1 . . . B 103 MET CA . 19333 2 383 . 2 2 103 103 MET CB C 13 32.590 0.15 . 1 . . . B 103 MET CB . 19333 2 384 . 2 2 103 103 MET N N 15 123.810 0.2 . 1 . . . B 103 MET N . 19333 2 385 . 2 2 104 104 LYS H H 1 8.210 0.02 . 1 . . . B 104 LYS H . 19333 2 386 . 2 2 104 104 LYS HA H 1 4.510 0.02 . 1 . . . B 104 LYS HA . 19333 2 387 . 2 2 104 104 LYS C C 13 173.880 0.15 . 1 . . . B 104 LYS C . 19333 2 388 . 2 2 104 104 LYS CA C 13 53.690 0.15 . 1 . . . B 104 LYS CA . 19333 2 389 . 2 2 104 104 LYS CB C 13 29.280 0.15 . 1 . . . B 104 LYS CB . 19333 2 390 . 2 2 104 104 LYS N N 15 124.830 0.2 . 1 . . . B 104 LYS N . 19333 2 391 . 2 2 105 105 PRO CA C 13 62.760 0.15 . 1 . . . B 105 PRO CA . 19333 2 392 . 2 2 105 105 PRO CB C 13 32.050 0.15 . 1 . . . B 105 PRO CB . 19333 2 393 . 2 2 106 106 GLN H H 1 8.560 0.02 . 1 . . . B 106 GLN H . 19333 2 394 . 2 2 106 106 GLN HA H 1 4.220 0.02 . 1 . . . B 106 GLN HA . 19333 2 395 . 2 2 106 106 GLN C C 13 175.300 0.15 . 1 . . . B 106 GLN C . 19333 2 396 . 2 2 106 106 GLN CA C 13 55.530 0.15 . 1 . . . B 106 GLN CA . 19333 2 397 . 2 2 106 106 GLN CB C 13 29.510 0.15 . 1 . . . B 106 GLN CB . 19333 2 398 . 2 2 106 106 GLN N N 15 121.400 0.2 . 1 . . . B 106 GLN N . 19333 2 399 . 2 2 107 107 ASP H H 1 8.360 0.02 . 1 . . . B 107 ASP H . 19333 2 400 . 2 2 107 107 ASP HA H 1 4.590 0.02 . 1 . . . B 107 ASP HA . 19333 2 401 . 2 2 107 107 ASP C C 13 175.850 0.15 . 1 . . . B 107 ASP C . 19333 2 402 . 2 2 107 107 ASP CA C 13 53.790 0.15 . 1 . . . B 107 ASP CA . 19333 2 403 . 2 2 107 107 ASP CB C 13 41.440 0.15 . 1 . . . B 107 ASP CB . 19333 2 404 . 2 2 107 107 ASP N N 15 122.640 0.2 . 1 . . . B 107 ASP N . 19333 2 405 . 2 2 108 108 SER H H 1 8.380 0.02 . 1 . . . B 108 SER H . 19333 2 406 . 2 2 108 108 SER HA H 1 4.370 0.02 . 1 . . . B 108 SER HA . 19333 2 407 . 2 2 108 108 SER C C 13 174.740 0.15 . 1 . . . B 108 SER C . 19333 2 408 . 2 2 108 108 SER CA C 13 58.230 0.15 . 1 . . . B 108 SER CA . 19333 2 409 . 2 2 108 108 SER CB C 13 63.890 0.15 . 1 . . . B 108 SER CB . 19333 2 410 . 2 2 108 108 SER N N 15 117.590 0.2 . 1 . . . B 108 SER N . 19333 2 411 . 2 2 109 109 GLY H H 1 8.510 0.02 . 1 . . . B 109 GLY H . 19333 2 412 . 2 2 109 109 GLY HA2 H 1 3.940 0.02 . 2 . . . B 109 GLY HA . 19333 2 413 . 2 2 109 109 GLY HA3 H 1 3.940 0.02 . 2 . . . B 109 GLY HA . 19333 2 414 . 2 2 109 109 GLY C C 13 173.860 0.15 . 1 . . . B 109 GLY C . 19333 2 415 . 2 2 109 109 GLY CA C 13 44.910 0.15 . 1 . . . B 109 GLY CA . 19333 2 416 . 2 2 109 109 GLY N N 15 111.570 0.2 . 1 . . . B 109 GLY N . 19333 2 417 . 2 2 110 110 SER H H 1 8.180 0.02 . 1 . . . B 110 SER H . 19333 2 418 . 2 2 110 110 SER HA H 1 4.440 0.02 . 1 . . . B 110 SER HA . 19333 2 419 . 2 2 110 110 SER C C 13 174.260 0.15 . 1 . . . B 110 SER C . 19333 2 420 . 2 2 110 110 SER CA C 13 57.790 0.15 . 1 . . . B 110 SER CA . 19333 2 421 . 2 2 110 110 SER CB C 13 63.910 0.15 . 1 . . . B 110 SER CB . 19333 2 422 . 2 2 110 110 SER N N 15 116.300 0.2 . 1 . . . B 110 SER N . 19333 2 423 . 2 2 111 111 SER H H 1 8.370 0.02 . 1 . . . B 111 SER H . 19333 2 424 . 2 2 111 111 SER HA H 1 4.410 0.02 . 1 . . . B 111 SER HA . 19333 2 425 . 2 2 111 111 SER C C 13 173.880 0.15 . 1 . . . B 111 SER C . 19333 2 426 . 2 2 111 111 SER CA C 13 57.860 0.15 . 1 . . . B 111 SER CA . 19333 2 427 . 2 2 111 111 SER N N 15 118.520 0.2 . 1 . . . B 111 SER N . 19333 2 428 . 2 2 112 112 ALA H H 1 8.300 0.02 . 1 . . . B 112 ALA H . 19333 2 429 . 2 2 112 112 ALA HA H 1 4.250 0.02 . 1 . . . B 112 ALA HA . 19333 2 430 . 2 2 112 112 ALA C C 13 177.060 0.15 . 1 . . . B 112 ALA C . 19333 2 431 . 2 2 112 112 ALA CA C 13 52.300 0.15 . 1 . . . B 112 ALA CA . 19333 2 432 . 2 2 112 112 ALA CB C 13 19.110 0.15 . 1 . . . B 112 ALA CB . 19333 2 433 . 2 2 112 112 ALA N N 15 126.070 0.2 . 1 . . . B 112 ALA N . 19333 2 434 . 2 2 113 113 ASN H H 1 8.290 0.02 . 1 . . . B 113 ASN H . 19333 2 435 . 2 2 113 113 ASN HA H 1 4.610 0.02 . 1 . . . B 113 ASN HA . 19333 2 436 . 2 2 113 113 ASN C C 13 174.770 0.15 . 1 . . . B 113 ASN C . 19333 2 437 . 2 2 113 113 ASN CA C 13 52.900 0.15 . 1 . . . B 113 ASN CA . 19333 2 438 . 2 2 113 113 ASN CB C 13 38.920 0.15 . 1 . . . B 113 ASN CB . 19333 2 439 . 2 2 113 113 ASN N N 15 118.040 0.2 . 1 . . . B 113 ASN N . 19333 2 440 . 2 2 114 114 GLU H H 1 8.300 0.02 . 1 . . . B 114 GLU H . 19333 2 441 . 2 2 114 114 GLU HA H 1 4.190 0.02 . 1 . . . B 114 GLU HA . 19333 2 442 . 2 2 114 114 GLU C C 13 175.850 0.15 . 1 . . . B 114 GLU C . 19333 2 443 . 2 2 114 114 GLU CA C 13 56.310 0.15 . 1 . . . B 114 GLU CA . 19333 2 444 . 2 2 114 114 GLU CB C 13 30.300 0.15 . 1 . . . B 114 GLU CB . 19333 2 445 . 2 2 114 114 GLU N N 15 121.790 0.2 . 1 . . . B 114 GLU N . 19333 2 446 . 2 2 115 115 GLN H H 1 8.290 0.02 . 1 . . . B 115 GLN H . 19333 2 447 . 2 2 115 115 GLN HA H 1 4.240 0.02 . 1 . . . B 115 GLN HA . 19333 2 448 . 2 2 115 115 GLN C C 13 175.010 0.15 . 1 . . . B 115 GLN C . 19333 2 449 . 2 2 115 115 GLN CA C 13 55.190 0.15 . 1 . . . B 115 GLN CA . 19333 2 450 . 2 2 115 115 GLN CB C 13 29.480 0.15 . 1 . . . B 115 GLN CB . 19333 2 451 . 2 2 115 115 GLN N N 15 121.400 0.2 . 1 . . . B 115 GLN N . 19333 2 452 . 2 2 116 116 ALA H H 1 8.250 0.02 . 1 . . . B 116 ALA H . 19333 2 453 . 2 2 116 116 ALA HA H 1 4.270 0.02 . 1 . . . B 116 ALA HA . 19333 2 454 . 2 2 116 116 ALA C C 13 177.040 0.15 . 1 . . . B 116 ALA C . 19333 2 455 . 2 2 116 116 ALA CA C 13 51.990 0.15 . 1 . . . B 116 ALA CA . 19333 2 456 . 2 2 116 116 ALA CB C 13 19.250 0.15 . 1 . . . B 116 ALA CB . 19333 2 457 . 2 2 116 116 ALA N N 15 126.050 0.2 . 1 . . . B 116 ALA N . 19333 2 458 . 2 2 117 117 VAL H H 1 8.120 0.02 . 1 . . . B 117 VAL H . 19333 2 459 . 2 2 117 117 VAL HA H 1 4.050 0.02 . 1 . . . B 117 VAL HA . 19333 2 460 . 2 2 117 117 VAL C C 13 174.880 0.15 . 1 . . . B 117 VAL C . 19333 2 461 . 2 2 117 117 VAL CA C 13 61.790 0.15 . 1 . . . B 117 VAL CA . 19333 2 462 . 2 2 117 117 VAL CB C 13 32.780 0.15 . 1 . . . B 117 VAL CB . 19333 2 463 . 2 2 117 117 VAL N N 15 120.540 0.2 . 1 . . . B 117 VAL N . 19333 2 464 . 2 2 118 118 GLN H H 1 7.970 0.02 . 1 . . . B 118 GLN H . 19333 2 465 . 2 2 118 118 GLN HA H 1 4.110 0.02 . 1 . . . B 118 GLN HA . 19333 2 466 . 2 2 118 118 GLN CA C 13 56.730 0.15 . 1 . . . B 118 GLN CA . 19333 2 467 . 2 2 118 118 GLN CB C 13 30.490 0.15 . 1 . . . B 118 GLN CB . 19333 2 468 . 2 2 118 118 GLN N N 15 129.520 0.2 . 1 . . . B 118 GLN N . 19333 2 stop_ save_ ################################### # 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_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 19333 _Assigned_chem_shift_list.ID 3 _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 10 '3D HNCACO' . . . 19333 3 13 '2D 1H-15N HSQC' . . . 19333 3 14 '3D HNCO' . . . 19333 3 15 '3D CBCA(CO)NH' . . . 19333 3 16 '3D HNCA' . . . 19333 3 17 '3D HNCACB' . . . 19333 3 19 '3D HNHA' . . . 19333 3 20 '3D 1H-13C NOESY' . . . 19333 3 21 '3D 1H-15N NOESY' . . . 19333 3 22 '3D HCCH-TOCSY' . . . 19333 3 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 . 3 3 1 1 VAL C C 13 173.13 0.15 . 1 . . . C 1 VAL C . 19333 3 2 . 3 3 1 1 VAL CA C 13 60.85 0.15 . 1 . . . C 1 VAL CA . 19333 3 3 . 3 3 1 1 VAL CB C 13 33.30 0.15 . 1 . . . C 1 VAL CB . 19333 3 4 . 3 3 2 2 LYS H H 1 9.08 0.02 . 1 . . . C 2 LYS H . 19333 3 5 . 3 3 2 2 LYS C C 13 173.85 0.15 . 1 . . . C 2 LYS C . 19333 3 6 . 3 3 2 2 LYS CA C 13 52.75 0.15 . 1 . . . C 2 LYS CA . 19333 3 7 . 3 3 2 2 LYS N N 15 124.84 0.2 . 1 . . . C 2 LYS N . 19333 3 8 . 3 3 3 3 LEU H H 1 10.49 0.02 . 1 . . . C 3 LEU H . 19333 3 9 . 3 3 3 3 LEU CA C 13 52.99 0.15 . 1 . . . C 3 LEU CA . 19333 3 10 . 3 3 3 3 LEU N N 15 127.80 0.2 . 1 . . . C 3 LEU N . 19333 3 11 . 3 3 4 4 ILE C C 13 176.09 0.15 . 1 . . . C 4 ILE C . 19333 3 12 . 3 3 4 4 ILE CA C 13 59.87 0.15 . 1 . . . C 4 ILE CA . 19333 3 13 . 3 3 5 5 SER H H 1 9.89 0.02 . 1 . . . C 5 SER H . 19333 3 14 . 3 3 5 5 SER CA C 13 58.25 0.15 . 1 . . . C 5 SER CA . 19333 3 15 . 3 3 5 5 SER CB C 13 63.77 0.15 . 1 . . . C 5 SER CB . 19333 3 16 . 3 3 5 5 SER N N 15 121.78 0.2 . 1 . . . C 5 SER N . 19333 3 17 . 3 3 6 6 SER C C 13 175.41 0.15 . 1 . . . C 6 SER C . 19333 3 18 . 3 3 6 6 SER CA C 13 61.22 0.15 . 1 . . . C 6 SER CA . 19333 3 19 . 3 3 6 6 SER CB C 13 63.24 0.15 . 1 . . . C 6 SER CB . 19333 3 20 . 3 3 7 7 ASP H H 1 10.17 0.02 . 1 . . . C 7 ASP H . 19333 3 21 . 3 3 7 7 ASP C C 13 175.55 0.15 . 1 . . . C 7 ASP C . 19333 3 22 . 3 3 7 7 ASP CA C 13 52.37 0.15 . 1 . . . C 7 ASP CA . 19333 3 23 . 3 3 7 7 ASP CB C 13 37.38 0.15 . 1 . . . C 7 ASP CB . 19333 3 24 . 3 3 7 7 ASP N N 15 116.82 0.2 . 1 . . . C 7 ASP N . 19333 3 25 . 3 3 8 8 GLY H H 1 8.66 0.02 . 1 . . . C 8 GLY H . 19333 3 26 . 3 3 8 8 GLY HA2 H 1 4.01 0.02 . 2 . . . C 8 GLY HA . 19333 3 27 . 3 3 8 8 GLY HA3 H 1 4.01 0.02 . 2 . . . C 8 GLY HA . 19333 3 28 . 3 3 8 8 GLY C C 13 174.91 0.15 . 1 . . . C 8 GLY C . 19333 3 29 . 3 3 8 8 GLY CA C 13 45.87 0.15 . 1 . . . C 8 GLY CA . 19333 3 30 . 3 3 8 8 GLY N N 15 108.98 0.2 . 1 . . . C 8 GLY N . 19333 3 31 . 3 3 9 9 HIS H H 1 8.14 0.02 . 1 . . . C 9 HIS H . 19333 3 32 . 3 3 9 9 HIS C C 13 173.70 0.15 . 1 . . . C 9 HIS C . 19333 3 33 . 3 3 9 9 HIS CA C 13 57.28 0.15 . 1 . . . C 9 HIS CA . 19333 3 34 . 3 3 9 9 HIS N N 15 119.63 0.2 . 1 . . . C 9 HIS N . 19333 3 35 . 3 3 10 10 GLU H H 1 9.53 0.02 . 1 . . . C 10 GLU H . 19333 3 36 . 3 3 10 10 GLU C C 13 174.43 0.15 . 1 . . . C 10 GLU C . 19333 3 37 . 3 3 10 10 GLU CA C 13 53.85 0.15 . 1 . . . C 10 GLU CA . 19333 3 38 . 3 3 10 10 GLU CB C 13 30.64 0.15 . 1 . . . C 10 GLU CB . 19333 3 39 . 3 3 10 10 GLU N N 15 119.11 0.2 . 1 . . . C 10 GLU N . 19333 3 40 . 3 3 11 11 PHE H H 1 10.15 0.02 . 1 . . . C 11 PHE H . 19333 3 41 . 3 3 11 11 PHE HA H 1 4.60 0.02 . 1 . . . C 11 PHE HA . 19333 3 42 . 3 3 11 11 PHE CA C 13 56.52 0.15 . 1 . . . C 11 PHE CA . 19333 3 43 . 3 3 11 11 PHE N N 15 124.35 0.2 . 1 . . . C 11 PHE N . 19333 3 44 . 3 3 12 12 ILE H H 1 10.20 0.02 . 1 . . . C 12 ILE H . 19333 3 45 . 3 3 12 12 ILE CA C 13 60.79 0.15 . 1 . . . C 12 ILE CA . 19333 3 46 . 3 3 12 12 ILE N N 15 125.89 0.2 . 1 . . . C 12 ILE N . 19333 3 47 . 3 3 17 17 HIS HA H 1 4.70 0.02 . 1 . . . C 17 HIS HA . 19333 3 48 . 3 3 17 17 HIS CA C 13 55.57 0.15 . 1 . . . C 17 HIS CA . 19333 3 49 . 3 3 17 17 HIS CB C 13 28.17 0.15 . 1 . . . C 17 HIS CB . 19333 3 50 . 3 3 21 21 SER C C 13 176.77 0.15 . 1 . . . C 21 SER C . 19333 3 51 . 3 3 21 21 SER CB C 13 60.96 0.15 . 1 . . . C 21 SER CB . 19333 3 52 . 3 3 22 22 GLY H H 1 9.04 0.02 . 1 . . . C 22 GLY H . 19333 3 53 . 3 3 22 22 GLY HA2 H 1 4.17 0.02 . 2 . . . C 22 GLY HA . 19333 3 54 . 3 3 22 22 GLY HA3 H 1 4.17 0.02 . 2 . . . C 22 GLY HA . 19333 3 55 . 3 3 22 22 GLY C C 13 173.39 0.15 . 1 . . . C 22 GLY C . 19333 3 56 . 3 3 22 22 GLY CA C 13 44.79 0.15 . 1 . . . C 22 GLY CA . 19333 3 57 . 3 3 22 22 GLY N N 15 111.03 0.2 . 1 . . . C 22 GLY N . 19333 3 58 . 3 3 23 23 THR H H 1 8.50 0.02 . 1 . . . C 23 THR H . 19333 3 59 . 3 3 23 23 THR C C 13 173.41 0.15 . 1 . . . C 23 THR C . 19333 3 60 . 3 3 23 23 THR CA C 13 55.69 0.15 . 1 . . . C 23 THR CA . 19333 3 61 . 3 3 23 23 THR N N 15 119.95 0.2 . 1 . . . C 23 THR N . 19333 3 62 . 3 3 24 24 ILE H H 1 8.58 0.02 . 1 . . . C 24 ILE H . 19333 3 63 . 3 3 24 24 ILE C C 13 174.85 0.15 . 1 . . . C 24 ILE C . 19333 3 64 . 3 3 24 24 ILE CA C 13 54.64 0.15 . 1 . . . C 24 ILE CA . 19333 3 65 . 3 3 24 24 ILE N N 15 120.50 0.2 . 1 . . . C 24 ILE N . 19333 3 66 . 3 3 25 25 LYS H H 1 8.27 0.02 . 1 . . . C 25 LYS H . 19333 3 67 . 3 3 25 25 LYS HA H 1 4.33 0.02 . 1 . . . C 25 LYS HA . 19333 3 68 . 3 3 25 25 LYS CA C 13 55.67 0.15 . 1 . . . C 25 LYS CA . 19333 3 69 . 3 3 25 25 LYS CB C 13 31.46 0.15 . 1 . . . C 25 LYS CB . 19333 3 70 . 3 3 25 25 LYS N N 15 126.12 0.2 . 1 . . . C 25 LYS N . 19333 3 71 . 3 3 26 26 ALA H H 1 8.78 0.02 . 1 . . . C 26 ALA H . 19333 3 72 . 3 3 26 26 ALA CA C 13 52.11 0.15 . 1 . . . C 26 ALA CA . 19333 3 73 . 3 3 26 26 ALA N N 15 120.58 0.2 . 1 . . . C 26 ALA N . 19333 3 74 . 3 3 28 28 LEU C C 13 176.99 0.15 . 1 . . . C 28 LEU C . 19333 3 75 . 3 3 28 28 LEU CA C 13 55.39 0.15 . 1 . . . C 28 LEU CA . 19333 3 76 . 3 3 29 29 SER H H 1 8.08 0.02 . 1 . . . C 29 SER H . 19333 3 77 . 3 3 29 29 SER C C 13 174.03 0.15 . 1 . . . C 29 SER C . 19333 3 78 . 3 3 29 29 SER CA C 13 58.58 0.15 . 1 . . . C 29 SER CA . 19333 3 79 . 3 3 29 29 SER CB C 13 62.60 0.15 . 1 . . . C 29 SER CB . 19333 3 80 . 3 3 29 29 SER N N 15 114.35 0.2 . 1 . . . C 29 SER N . 19333 3 81 . 3 3 30 30 GLY H H 1 8.47 0.02 . 1 . . . C 30 GLY H . 19333 3 82 . 3 3 30 30 GLY HA2 H 1 4.60 0.02 . 2 . . . C 30 GLY HA . 19333 3 83 . 3 3 30 30 GLY HA3 H 1 4.60 0.02 . 2 . . . C 30 GLY HA . 19333 3 84 . 3 3 30 30 GLY C C 13 171.70 0.15 . 1 . . . C 30 GLY C . 19333 3 85 . 3 3 30 30 GLY CA C 13 44.32 0.15 . 1 . . . C 30 GLY CA . 19333 3 86 . 3 3 30 30 GLY N N 15 110.72 0.2 . 1 . . . C 30 GLY N . 19333 3 87 . 3 3 31 31 PRO C C 13 177.62 0.15 . 1 . . . C 31 PRO C . 19333 3 88 . 3 3 31 31 PRO CA C 13 63.41 0.15 . 1 . . . C 31 PRO CA . 19333 3 89 . 3 3 32 32 GLY H H 1 8.94 0.02 . 1 . . . C 32 GLY H . 19333 3 90 . 3 3 32 32 GLY C C 13 173.94 0.15 . 1 . . . C 32 GLY C . 19333 3 91 . 3 3 32 32 GLY CA C 13 45.09 0.15 . 1 . . . C 32 GLY CA . 19333 3 92 . 3 3 32 32 GLY N N 15 109.77 0.2 . 1 . . . C 32 GLY N . 19333 3 93 . 3 3 33 33 GLN H H 1 8.57 0.02 . 1 . . . C 33 GLN H . 19333 3 94 . 3 3 33 33 GLN CA C 13 55.84 0.15 . 1 . . . C 33 GLN CA . 19333 3 95 . 3 3 33 33 GLN N N 15 119.88 0.2 . 1 . . . C 33 GLN N . 19333 3 96 . 3 3 34 34 PHE H H 1 8.69 0.02 . 1 . . . C 34 PHE H . 19333 3 97 . 3 3 34 34 PHE C C 13 175.40 0.15 . 1 . . . C 34 PHE C . 19333 3 98 . 3 3 34 34 PHE CA C 13 57.11 0.15 . 1 . . . C 34 PHE CA . 19333 3 99 . 3 3 34 34 PHE CB C 13 37.28 0.15 . 1 . . . C 34 PHE CB . 19333 3 100 . 3 3 34 34 PHE N N 15 120.59 0.2 . 1 . . . C 34 PHE N . 19333 3 101 . 3 3 35 35 ALA H H 1 8.76 0.02 . 1 . . . C 35 ALA H . 19333 3 102 . 3 3 35 35 ALA HA H 1 4.81 0.02 . 1 . . . C 35 ALA HA . 19333 3 103 . 3 3 35 35 ALA C C 13 177.36 0.15 . 1 . . . C 35 ALA C . 19333 3 104 . 3 3 35 35 ALA CA C 13 52.22 0.15 . 1 . . . C 35 ALA CA . 19333 3 105 . 3 3 35 35 ALA CB C 13 16.82 0.15 . 1 . . . C 35 ALA CB . 19333 3 106 . 3 3 35 35 ALA N N 15 125.48 0.2 . 1 . . . C 35 ALA N . 19333 3 107 . 3 3 36 36 GLU C C 13 175.13 0.15 . 1 . . . C 36 GLU C . 19333 3 108 . 3 3 36 36 GLU CA C 13 50.92 0.15 . 1 . . . C 36 GLU CA . 19333 3 109 . 3 3 37 37 ASN H H 1 8.81 0.02 . 1 . . . C 37 ASN H . 19333 3 110 . 3 3 37 37 ASN C C 13 179.18 0.15 . 1 . . . C 37 ASN C . 19333 3 111 . 3 3 37 37 ASN CA C 13 54.02 0.15 . 1 . . . C 37 ASN CA . 19333 3 112 . 3 3 37 37 ASN N N 15 117.59 0.2 . 1 . . . C 37 ASN N . 19333 3 113 . 3 3 38 38 GLU H H 1 8.75 0.02 . 1 . . . C 38 GLU H . 19333 3 114 . 3 3 38 38 GLU CA C 13 56.43 0.15 . 1 . . . C 38 GLU CA . 19333 3 115 . 3 3 38 38 GLU N N 15 121.84 0.2 . 1 . . . C 38 GLU N . 19333 3 116 . 3 3 39 39 THR H H 1 8.78 0.02 . 1 . . . C 39 THR H . 19333 3 117 . 3 3 39 39 THR CA C 13 61.67 0.15 . 1 . . . C 39 THR CA . 19333 3 118 . 3 3 39 39 THR N N 15 116.58 0.2 . 1 . . . C 39 THR N . 19333 3 119 . 3 3 42 42 VAL C C 13 173.83 0.15 . 1 . . . C 42 VAL C . 19333 3 120 . 3 3 43 43 ASN H H 1 8.98 0.02 . 1 . . . C 43 ASN H . 19333 3 121 . 3 3 43 43 ASN C C 13 175.87 0.15 . 1 . . . C 43 ASN C . 19333 3 122 . 3 3 43 43 ASN CA C 13 53.14 0.15 . 1 . . . C 43 ASN CA . 19333 3 123 . 3 3 43 43 ASN N N 15 122.92 0.2 . 1 . . . C 43 ASN N . 19333 3 124 . 3 3 44 44 PHE H H 1 9.50 0.02 . 1 . . . C 44 PHE H . 19333 3 125 . 3 3 44 44 PHE HA H 1 4.69 0.02 . 1 . . . C 44 PHE HA . 19333 3 126 . 3 3 44 44 PHE C C 13 172.06 0.15 . 1 . . . C 44 PHE C . 19333 3 127 . 3 3 44 44 PHE CA C 13 59.80 0.15 . 1 . . . C 44 PHE CA . 19333 3 128 . 3 3 44 44 PHE CB C 13 40.10 0.15 . 1 . . . C 44 PHE CB . 19333 3 129 . 3 3 44 44 PHE N N 15 124.47 0.2 . 1 . . . C 44 PHE N . 19333 3 130 . 3 3 45 45 ARG H H 1 8.98 0.02 . 1 . . . C 45 ARG H . 19333 3 131 . 3 3 45 45 ARG HA H 1 4.30 0.02 . 1 . . . C 45 ARG HA . 19333 3 132 . 3 3 45 45 ARG CA C 13 54.35 0.15 . 1 . . . C 45 ARG CA . 19333 3 133 . 3 3 45 45 ARG N N 15 124.48 0.2 . 1 . . . C 45 ARG N . 19333 3 134 . 3 3 46 46 GLU H H 1 9.42 0.02 . 1 . . . C 46 GLU H . 19333 3 135 . 3 3 46 46 GLU N N 15 114.57 0.2 . 1 . . . C 46 GLU N . 19333 3 136 . 3 3 48 48 PRO C C 13 178.84 0.15 . 1 . . . C 48 PRO C . 19333 3 137 . 3 3 49 49 SER H H 1 10.15 0.02 . 1 . . . C 49 SER H . 19333 3 138 . 3 3 49 49 SER CA C 13 62.43 0.15 . 1 . . . C 49 SER CA . 19333 3 139 . 3 3 49 49 SER N N 15 118.84 0.2 . 1 . . . C 49 SER N . 19333 3 140 . 3 3 50 50 HIS HA H 1 4.56 0.02 . 1 . . . C 50 HIS HA . 19333 3 141 . 3 3 50 50 HIS C C 13 175.48 0.15 . 1 . . . C 50 HIS C . 19333 3 142 . 3 3 50 50 HIS CA C 13 60.72 0.15 . 1 . . . C 50 HIS CA . 19333 3 143 . 3 3 51 51 VAL H H 1 6.85 0.02 . 1 . . . C 51 VAL H . 19333 3 144 . 3 3 51 51 VAL C C 13 175.91 0.15 . 1 . . . C 51 VAL C . 19333 3 145 . 3 3 51 51 VAL CA C 13 63.06 0.15 . 1 . . . C 51 VAL CA . 19333 3 146 . 3 3 51 51 VAL N N 15 118.80 0.2 . 1 . . . C 51 VAL N . 19333 3 147 . 3 3 52 52 LEU H H 1 8.52 0.02 . 1 . . . C 52 LEU H . 19333 3 148 . 3 3 52 52 LEU CA C 13 56.93 0.15 . 1 . . . C 52 LEU CA . 19333 3 149 . 3 3 52 52 LEU N N 15 126.28 0.2 . 1 . . . C 52 LEU N . 19333 3 150 . 3 3 53 53 SER H H 1 8.33 0.02 . 1 . . . C 53 SER H . 19333 3 151 . 3 3 53 53 SER N N 15 112.33 0.2 . 1 . . . C 53 SER N . 19333 3 152 . 3 3 54 54 LYS H H 1 6.88 0.02 . 1 . . . C 54 LYS H . 19333 3 153 . 3 3 54 54 LYS C C 13 180.74 0.15 . 1 . . . C 54 LYS C . 19333 3 154 . 3 3 54 54 LYS CA C 13 58.38 0.15 . 1 . . . C 54 LYS CA . 19333 3 155 . 3 3 54 54 LYS N N 15 121.91 0.2 . 1 . . . C 54 LYS N . 19333 3 156 . 3 3 55 55 VAL H H 1 8.21 0.02 . 1 . . . C 55 VAL H . 19333 3 157 . 3 3 55 55 VAL C C 13 179.41 0.15 . 1 . . . C 55 VAL C . 19333 3 158 . 3 3 55 55 VAL N N 15 119.96 0.2 . 1 . . . C 55 VAL N . 19333 3 159 . 3 3 60 60 THR HA H 1 4.50 0.02 . 1 . . . C 60 THR HA . 19333 3 160 . 3 3 60 60 THR CA C 13 56.14 0.15 . 1 . . . C 60 THR CA . 19333 3 161 . 3 3 61 61 TYR H H 1 8.61 0.02 . 1 . . . C 61 TYR H . 19333 3 162 . 3 3 61 61 TYR CA C 13 58.42 0.15 . 1 . . . C 61 TYR CA . 19333 3 163 . 3 3 61 61 TYR N N 15 122.82 0.2 . 1 . . . C 61 TYR N . 19333 3 164 . 3 3 62 62 LYS H H 1 8.50 0.02 . 1 . . . C 62 LYS H . 19333 3 165 . 3 3 62 62 LYS CA C 13 59.79 0.15 . 1 . . . C 62 LYS CA . 19333 3 166 . 3 3 62 62 LYS N N 15 124.00 0.2 . 1 . . . C 62 LYS N . 19333 3 167 . 3 3 64 64 ARG CB C 13 31.50 0.15 . 1 . . . C 64 ARG CB . 19333 3 168 . 3 3 65 65 TYR H H 1 8.11 0.02 . 1 . . . C 65 TYR H . 19333 3 169 . 3 3 65 65 TYR CA C 13 64.97 0.15 . 1 . . . C 65 TYR CA . 19333 3 170 . 3 3 65 65 TYR N N 15 115.32 0.2 . 1 . . . C 65 TYR N . 19333 3 171 . 3 3 78 78 ALA H H 1 8.70 0.02 . 1 . . . C 78 ALA H . 19333 3 172 . 3 3 78 78 ALA N N 15 132.14 0.2 . 1 . . . C 78 ALA N . 19333 3 173 . 3 3 80 80 GLU C C 13 180.06 0.15 . 1 . . . C 80 GLU C . 19333 3 174 . 3 3 80 80 GLU CB C 13 31.32 0.15 . 1 . . . C 80 GLU CB . 19333 3 175 . 3 3 81 81 ILE H H 1 7.90 0.02 . 1 . . . C 81 ILE H . 19333 3 176 . 3 3 81 81 ILE CA C 13 65.02 0.15 . 1 . . . C 81 ILE CA . 19333 3 177 . 3 3 81 81 ILE N N 15 112.35 0.2 . 1 . . . C 81 ILE N . 19333 3 178 . 3 3 82 82 ALA HA H 1 4.63 0.02 . 1 . . . C 82 ALA HA . 19333 3 179 . 3 3 82 82 ALA CA C 13 56.24 0.15 . 1 . . . C 82 ALA CA . 19333 3 180 . 3 3 83 83 LEU H H 1 8.72 0.02 . 1 . . . C 83 LEU H . 19333 3 181 . 3 3 83 83 LEU HA H 1 4.00 0.02 . 1 . . . C 83 LEU HA . 19333 3 182 . 3 3 83 83 LEU CA C 13 61.72 0.15 . 1 . . . C 83 LEU CA . 19333 3 183 . 3 3 83 83 LEU N N 15 115.96 0.2 . 1 . . . C 83 LEU N . 19333 3 184 . 3 3 84 84 GLU CA C 13 54.53 0.15 . 1 . . . C 84 GLU CA . 19333 3 185 . 3 3 85 85 LEU H H 1 9.36 0.02 . 1 . . . C 85 LEU H . 19333 3 186 . 3 3 85 85 LEU CA C 13 60.78 0.15 . 1 . . . C 85 LEU CA . 19333 3 187 . 3 3 85 85 LEU N N 15 122.27 0.2 . 1 . . . C 85 LEU N . 19333 3 188 . 3 3 86 86 LEU H H 1 9.38 0.02 . 1 . . . C 86 LEU H . 19333 3 189 . 3 3 86 86 LEU CA C 13 57.88 0.15 . 1 . . . C 86 LEU CA . 19333 3 190 . 3 3 86 86 LEU N N 15 121.01 0.2 . 1 . . . C 86 LEU N . 19333 3 191 . 3 3 87 87 MET C C 13 176.69 0.15 . 1 . . . C 87 MET C . 19333 3 192 . 3 3 87 87 MET CA C 13 52.97 0.15 . 1 . . . C 87 MET CA . 19333 3 193 . 3 3 88 88 ALA H H 1 8.38 0.02 . 1 . . . C 88 ALA H . 19333 3 194 . 3 3 88 88 ALA C C 13 174.13 0.15 . 1 . . . C 88 ALA C . 19333 3 195 . 3 3 88 88 ALA CA C 13 55.96 0.15 . 1 . . . C 88 ALA CA . 19333 3 196 . 3 3 88 88 ALA CB C 13 17.14 0.15 . 1 . . . C 88 ALA CB . 19333 3 197 . 3 3 88 88 ALA N N 15 122.31 0.2 . 1 . . . C 88 ALA N . 19333 3 198 . 3 3 89 89 ALA HA H 1 4.44 0.02 . 1 . . . C 89 ALA HA . 19333 3 199 . 3 3 89 89 ALA CA C 13 54.51 0.15 . 1 . . . C 89 ALA CA . 19333 3 200 . 3 3 89 89 ALA CB C 13 14.40 0.15 . 1 . . . C 89 ALA CB . 19333 3 201 . 3 3 90 90 ASN HA H 1 4.38 0.02 . 1 . . . C 90 ASN HA . 19333 3 202 . 3 3 90 90 ASN C C 13 176.05 0.15 . 1 . . . C 90 ASN C . 19333 3 203 . 3 3 90 90 ASN CA C 13 59.22 0.15 . 1 . . . C 90 ASN CA . 19333 3 204 . 3 3 91 91 PHE H H 1 8.62 0.02 . 1 . . . C 91 PHE H . 19333 3 205 . 3 3 91 91 PHE C C 13 174.11 0.15 . 1 . . . C 91 PHE C . 19333 3 206 . 3 3 91 91 PHE CA C 13 54.16 0.15 . 1 . . . C 91 PHE CA . 19333 3 207 . 3 3 91 91 PHE N N 15 121.91 0.2 . 1 . . . C 91 PHE N . 19333 3 stop_ save_