################################### # 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_Im7*_L53AI54A_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Im7*_L53AI54A_chemical_shifts _Assigned_chem_shift_list.Entry_ID 7317 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 'Backbone HN, N and C chemical shifts.' _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 1H15N_HSQC 1 $sample_1 isotropic 7317 1 2 HNCO 1 $sample_1 isotropic 7317 1 3 HNCA 1 $sample_1 isotropic 7317 1 4 HNCOCA 1 $sample_1 isotropic 7317 1 5 CBCACONH 1 $sample_1 isotropic 7317 1 7 1H-1H-15N_NOESY-HSQC 2 $sample_2 isotropic 7317 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $NMRView . . 7317 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 9 9 GLU C C 13 176.150 0.2 . 1 . . . . 2 GLU C . 7317 1 2 . 1 1 9 9 GLU CA C 13 56.170 0.2 . 1 . . . . 2 GLU CA . 7317 1 3 . 1 1 9 9 GLU CB C 13 29.990 0.2 . 1 . . . . 2 GLU CB . 7317 1 4 . 1 1 10 10 LEU H H 1 8.210 0.01 . 1 . . . . 3 LEU HN . 7317 1 5 . 1 1 10 10 LEU C C 13 177.570 0.2 . 1 . . . . 3 LEU C . 7317 1 6 . 1 1 10 10 LEU CA C 13 55.150 0.2 . 1 . . . . 3 LEU CA . 7317 1 7 . 1 1 10 10 LEU CB C 13 42.340 0.2 . 1 . . . . 3 LEU CB . 7317 1 8 . 1 1 10 10 LEU N N 15 123.870 0.1 . 1 . . . . 3 LEU N . 7317 1 9 . 1 1 11 11 LYS H H 1 7.990 0.01 . 1 . . . . 4 LYS HN . 7317 1 10 . 1 1 11 11 LYS C C 13 175.910 0.2 . 1 . . . . 4 LYS C . 7317 1 11 . 1 1 11 11 LYS CA C 13 56.220 0.2 . 1 . . . . 4 LYS CA . 7317 1 12 . 1 1 11 11 LYS N N 15 121.400 0.1 . 1 . . . . 4 LYS N . 7317 1 13 . 1 1 12 12 ASN H H 1 8.400 0.01 . 1 . . . . 5 ASN HN . 7317 1 14 . 1 1 12 12 ASN C C 13 175.240 0.2 . 1 . . . . 5 ASN C . 7317 1 15 . 1 1 12 12 ASN CA C 13 55.860 0.2 . 1 . . . . 5 ASN CA . 7317 1 16 . 1 1 12 12 ASN CB C 13 39.710 0.2 . 1 . . . . 5 ASN CB . 7317 1 17 . 1 1 12 12 ASN N N 15 116.700 0.1 . 1 . . . . 5 ASN N . 7317 1 18 . 1 1 13 13 SER H H 1 8.200 0.01 . 1 . . . . 6 SER HN . 7317 1 19 . 1 1 13 13 SER CA C 13 56.320 0.2 . 1 . . . . 6 SER CA . 7317 1 20 . 1 1 13 13 SER N N 15 112.120 0.1 . 1 . . . . 6 SER N . 7317 1 21 . 1 1 15 15 SER C C 13 174.100 0.2 . 1 . . . . 8 SER C . 7317 1 22 . 1 1 15 15 SER CA C 13 59.870 0.2 . 1 . . . . 8 SER CA . 7317 1 23 . 1 1 15 15 SER CB C 13 63.020 0.2 . 1 . . . . 8 SER CB . 7317 1 24 . 1 1 16 16 ASP H H 1 7.770 0.01 . 1 . . . . 9 ASP HN . 7317 1 25 . 1 1 16 16 ASP C C 13 175.800 0.2 . 1 . . . . 9 ASP C . 7317 1 26 . 1 1 16 16 ASP CA C 13 55.250 0.2 . 1 . . . . 9 ASP CA . 7317 1 27 . 1 1 16 16 ASP CB C 13 42.390 0.2 . 1 . . . . 9 ASP CB . 7317 1 28 . 1 1 16 16 ASP N N 15 118.410 0.1 . 1 . . . . 9 ASP N . 7317 1 29 . 1 1 17 17 TYR H H 1 8.130 0.01 . 1 . . . . 10 TYR HN . 7317 1 30 . 1 1 17 17 TYR C C 13 177.430 0.2 . 1 . . . . 10 TYR C . 7317 1 31 . 1 1 17 17 TYR CA C 13 58.130 0.2 . 1 . . . . 10 TYR CA . 7317 1 32 . 1 1 17 17 TYR CB C 13 40.970 0.2 . 1 . . . . 10 TYR CB . 7317 1 33 . 1 1 17 17 TYR N N 15 120.140 0.1 . 1 . . . . 10 TYR N . 7317 1 34 . 1 1 18 18 THR H H 1 8.800 0.01 . 1 . . . . 11 THR HN . 7317 1 35 . 1 1 18 18 THR C C 13 175.690 0.2 . 1 . . . . 11 THR C . 7317 1 36 . 1 1 18 18 THR CA C 13 60.690 0.2 . 1 . . . . 11 THR CA . 7317 1 37 . 1 1 18 18 THR CB C 13 70.540 0.2 . 1 . . . . 11 THR CB . 7317 1 38 . 1 1 18 18 THR N N 15 112.180 0.1 . 1 . . . . 11 THR N . 7317 1 39 . 1 1 19 19 GLU H H 1 9.090 0.01 . 1 . . . . 12 GLU HN . 7317 1 40 . 1 1 19 19 GLU C C 13 178.040 0.2 . 1 . . . . 12 GLU C . 7317 1 41 . 1 1 19 19 GLU CA C 13 60.670 0.2 . 1 . . . . 12 GLU CA . 7317 1 42 . 1 1 19 19 GLU CB C 13 29.530 0.2 . 1 . . . . 12 GLU CB . 7317 1 43 . 1 1 19 19 GLU N N 15 122.880 0.1 . 1 . . . . 12 GLU N . 7317 1 44 . 1 1 20 20 ALA H H 1 8.310 0.01 . 1 . . . . 13 ALA HN . 7317 1 45 . 1 1 20 20 ALA C C 13 181.500 0.2 . 1 . . . . 13 ALA C . 7317 1 46 . 1 1 20 20 ALA CA C 13 55.140 0.2 . 1 . . . . 13 ALA CA . 7317 1 47 . 1 1 20 20 ALA CB C 13 18.430 0.2 . 1 . . . . 13 ALA CB . 7317 1 48 . 1 1 20 20 ALA N N 15 118.610 0.1 . 1 . . . . 13 ALA N . 7317 1 49 . 1 1 21 21 GLU H H 1 7.970 0.01 . 1 . . . . 14 GLU HN . 7317 1 50 . 1 1 21 21 GLU C C 13 179.430 0.2 . 1 . . . . 14 GLU C . 7317 1 51 . 1 1 21 21 GLU CA C 13 58.800 0.2 . 1 . . . . 14 GLU CA . 7317 1 52 . 1 1 21 21 GLU CB C 13 31.290 0.2 . 1 . . . . 14 GLU CB . 7317 1 53 . 1 1 21 21 GLU N N 15 118.870 0.1 . 1 . . . . 14 GLU N . 7317 1 54 . 1 1 22 22 PHE H H 1 8.520 0.01 . 1 . . . . 15 PHE HN . 7317 1 55 . 1 1 22 22 PHE C C 13 177.030 0.2 . 1 . . . . 15 PHE C . 7317 1 56 . 1 1 22 22 PHE CA C 13 62.160 0.2 . 1 . . . . 15 PHE CA . 7317 1 57 . 1 1 22 22 PHE CB C 13 40.120 0.2 . 1 . . . . 15 PHE CB . 7317 1 58 . 1 1 22 22 PHE N N 15 123.730 0.1 . 1 . . . . 15 PHE N . 7317 1 59 . 1 1 23 23 VAL H H 1 8.480 0.01 . 1 . . . . 16 VAL HN . 7317 1 60 . 1 1 23 23 VAL C C 13 177.600 0.2 . 1 . . . . 16 VAL C . 7317 1 61 . 1 1 23 23 VAL CA C 13 67.350 0.2 . 1 . . . . 16 VAL CA . 7317 1 62 . 1 1 23 23 VAL CB C 13 31.770 0.2 . 1 . . . . 16 VAL CB . 7317 1 63 . 1 1 23 23 VAL N N 15 118.320 0.1 . 1 . . . . 16 VAL N . 7317 1 64 . 1 1 24 24 GLN H H 1 7.560 0.01 . 1 . . . . 17 GLN HN . 7317 1 65 . 1 1 24 24 GLN C C 13 177.870 0.2 . 1 . . . . 17 GLN C . 7317 1 66 . 1 1 24 24 GLN CA C 13 59.020 0.2 . 1 . . . . 17 GLN CA . 7317 1 67 . 1 1 24 24 GLN CB C 13 27.910 0.2 . 1 . . . . 17 GLN CB . 7317 1 68 . 1 1 24 24 GLN N N 15 117.650 0.1 . 1 . . . . 17 GLN N . 7317 1 69 . 1 1 25 25 LEU H H 1 7.640 0.01 . 1 . . . . 18 LEU HN . 7317 1 70 . 1 1 25 25 LEU C C 13 178.360 0.2 . 1 . . . . 18 LEU C . 7317 1 71 . 1 1 25 25 LEU CA C 13 58.290 0.2 . 1 . . . . 18 LEU CA . 7317 1 72 . 1 1 25 25 LEU CB C 13 41.180 0.2 . 1 . . . . 18 LEU CB . 7317 1 73 . 1 1 25 25 LEU N N 15 121.520 0.1 . 1 . . . . 18 LEU N . 7317 1 74 . 1 1 26 26 LEU H H 1 7.750 0.01 . 1 . . . . 19 LEU HN . 7317 1 75 . 1 1 26 26 LEU C C 13 179.820 0.2 . 1 . . . . 19 LEU C . 7317 1 76 . 1 1 26 26 LEU CA C 13 57.980 0.2 . 1 . . . . 19 LEU CA . 7317 1 77 . 1 1 26 26 LEU CB C 13 41.070 0.2 . 1 . . . . 19 LEU CB . 7317 1 78 . 1 1 26 26 LEU N N 15 117.500 0.1 . 1 . . . . 19 LEU N . 7317 1 79 . 1 1 27 27 LYS H H 1 8.180 0.01 . 1 . . . . 20 LYS HN . 7317 1 80 . 1 1 27 27 LYS C C 13 179.520 0.2 . 1 . . . . 20 LYS C . 7317 1 81 . 1 1 27 27 LYS CA C 13 59.620 0.2 . 1 . . . . 20 LYS CA . 7317 1 82 . 1 1 27 27 LYS CB C 13 32.540 0.2 . 1 . . . . 20 LYS CB . 7317 1 83 . 1 1 27 27 LYS N N 15 119.360 0.1 . 1 . . . . 20 LYS N . 7317 1 84 . 1 1 28 28 GLU H H 1 8.130 0.01 . 1 . . . . 21 GLU HN . 7317 1 85 . 1 1 28 28 GLU C C 13 179.270 0.2 . 1 . . . . 21 GLU C . 7317 1 86 . 1 1 28 28 GLU CA C 13 59.200 0.2 . 1 . . . . 21 GLU CA . 7317 1 87 . 1 1 28 28 GLU CB C 13 29.560 0.2 . 1 . . . . 21 GLU CB . 7317 1 88 . 1 1 28 28 GLU N N 15 120.730 0.1 . 1 . . . . 21 GLU N . 7317 1 89 . 1 1 29 29 ILE H H 1 8.070 0.01 . 1 . . . . 22 ILE HN . 7317 1 90 . 1 1 29 29 ILE C C 13 178.280 0.2 . 1 . . . . 22 ILE C . 7317 1 91 . 1 1 29 29 ILE CA C 13 64.560 0.2 . 1 . . . . 22 ILE CA . 7317 1 92 . 1 1 29 29 ILE CB C 13 37.680 0.2 . 1 . . . . 22 ILE CB . 7317 1 93 . 1 1 29 29 ILE N N 15 119.760 0.1 . 1 . . . . 22 ILE N . 7317 1 94 . 1 1 30 30 GLU H H 1 7.920 0.01 . 1 . . . . 23 GLU HN . 7317 1 95 . 1 1 30 30 GLU C C 13 178.230 0.2 . 1 . . . . 23 GLU C . 7317 1 96 . 1 1 30 30 GLU CA C 13 59.020 0.2 . 1 . . . . 23 GLU CA . 7317 1 97 . 1 1 30 30 GLU CB C 13 29.910 0.2 . 1 . . . . 23 GLU CB . 7317 1 98 . 1 1 30 30 GLU N N 15 120.410 0.1 . 1 . . . . 23 GLU N . 7317 1 99 . 1 1 31 31 LYS H H 1 7.680 0.01 . 1 . . . . 24 LYS HN . 7317 1 100 . 1 1 31 31 LYS C C 13 177.970 0.2 . 1 . . . . 24 LYS C . 7317 1 101 . 1 1 31 31 LYS CA C 13 58.260 0.2 . 1 . . . . 24 LYS CA . 7317 1 102 . 1 1 31 31 LYS N N 15 118.280 0.1 . 1 . . . . 24 LYS N . 7317 1 103 . 1 1 32 32 GLU H H 1 7.930 0.01 . 1 . . . . 25 GLU HN . 7317 1 104 . 1 1 32 32 GLU C C 13 176.840 0.2 . 1 . . . . 25 GLU C . 7317 1 105 . 1 1 32 32 GLU CA C 13 57.220 0.2 . 1 . . . . 25 GLU CA . 7317 1 106 . 1 1 32 32 GLU CB C 13 29.760 0.2 . 1 . . . . 25 GLU CB . 7317 1 107 . 1 1 32 32 GLU N N 15 117.700 0.1 . 1 . . . . 25 GLU N . 7317 1 108 . 1 1 33 33 ASN H H 1 7.990 0.01 . 1 . . . . 26 ASN HN . 7317 1 109 . 1 1 33 33 ASN CA C 13 53.560 0.2 . 1 . . . . 26 ASN CA . 7317 1 110 . 1 1 33 33 ASN N N 15 117.720 0.1 . 1 . . . . 26 ASN N . 7317 1 111 . 1 1 35 35 ALA C C 13 177.040 0.2 . 1 . . . . 28 ALA C . 7317 1 112 . 1 1 35 35 ALA CA C 13 52.590 0.2 . 1 . . . . 28 ALA CA . 7317 1 113 . 1 1 35 35 ALA CB C 13 19.340 0.2 . 1 . . . . 28 ALA CB . 7317 1 114 . 1 1 36 36 ALA H H 1 8.110 0.01 . 1 . . . . 29 ALA HN . 7317 1 115 . 1 1 36 36 ALA C C 13 177.970 0.2 . 1 . . . . 29 ALA C . 7317 1 116 . 1 1 36 36 ALA CA C 13 52.590 0.2 . 1 . . . . 29 ALA CA . 7317 1 117 . 1 1 36 36 ALA CB C 13 19.180 0.2 . 1 . . . . 29 ALA CB . 7317 1 118 . 1 1 36 36 ALA N N 15 122.250 0.1 . 1 . . . . 29 ALA N . 7317 1 119 . 1 1 37 37 THR H H 1 8.010 0.01 . 1 . . . . 30 THR HN . 7317 1 120 . 1 1 37 37 THR C C 13 175.040 0.2 . 1 . . . . 30 THR C . 7317 1 121 . 1 1 37 37 THR CA C 13 62.740 0.2 . 1 . . . . 30 THR CA . 7317 1 122 . 1 1 37 37 THR N N 15 112.120 0.1 . 1 . . . . 30 THR N . 7317 1 123 . 1 1 38 38 ASP H H 1 8.300 0.01 . 1 . . . . 31 ASP HN . 7317 1 124 . 1 1 38 38 ASP CA C 13 55.830 0.2 . 1 . . . . 31 ASP CA . 7317 1 125 . 1 1 38 38 ASP N N 15 121.110 0.1 . 1 . . . . 31 ASP N . 7317 1 126 . 1 1 39 39 ASP C C 13 177.490 0.2 . 1 . . . . 32 ASP C . 7317 1 127 . 1 1 39 39 ASP CA C 13 55.520 0.2 . 1 . . . . 32 ASP CA . 7317 1 128 . 1 1 39 39 ASP CB C 13 40.940 0.2 . 1 . . . . 32 ASP CB . 7317 1 129 . 1 1 40 40 VAL H H 1 7.840 0.01 . 1 . . . . 33 VAL HN . 7317 1 130 . 1 1 40 40 VAL C C 13 177.300 0.2 . 1 . . . . 33 VAL C . 7317 1 131 . 1 1 40 40 VAL CA C 13 65.240 0.2 . 1 . . . . 33 VAL CA . 7317 1 132 . 1 1 40 40 VAL N N 15 120.080 0.1 . 1 . . . . 33 VAL N . 7317 1 133 . 1 1 41 41 LEU H H 1 8.280 0.01 . 1 . . . . 34 LEU HN . 7317 1 134 . 1 1 41 41 LEU C C 13 178.130 0.2 . 1 . . . . 34 LEU C . 7317 1 135 . 1 1 41 41 LEU CA C 13 57.940 0.2 . 1 . . . . 34 LEU CA . 7317 1 136 . 1 1 41 41 LEU CB C 13 41.410 0.2 . 1 . . . . 34 LEU CB . 7317 1 137 . 1 1 41 41 LEU N N 15 120.710 0.1 . 1 . . . . 34 LEU N . 7317 1 138 . 1 1 42 42 ASP H H 1 7.910 0.01 . 1 . . . . 35 ASP HN . 7317 1 139 . 1 1 42 42 ASP C C 13 178.740 0.2 . 1 . . . . 35 ASP C . 7317 1 140 . 1 1 42 42 ASP CA C 13 57.730 0.2 . 1 . . . . 35 ASP CA . 7317 1 141 . 1 1 42 42 ASP CB C 13 40.710 0.2 . 1 . . . . 35 ASP CB . 7317 1 142 . 1 1 42 42 ASP N N 15 118.110 0.1 . 1 . . . . 35 ASP N . 7317 1 143 . 1 1 43 43 VAL H H 1 7.530 0.01 . 1 . . . . 36 VAL HN . 7317 1 144 . 1 1 43 43 VAL C C 13 178.630 0.2 . 1 . . . . 36 VAL C . 7317 1 145 . 1 1 43 43 VAL CA C 13 65.580 0.2 . 1 . . . . 36 VAL CA . 7317 1 146 . 1 1 43 43 VAL CB C 13 31.830 0.2 . 1 . . . . 36 VAL CB . 7317 1 147 . 1 1 43 43 VAL N N 15 118.710 0.1 . 1 . . . . 36 VAL N . 7317 1 148 . 1 1 44 44 LEU H H 1 7.930 0.01 . 1 . . . . 37 LEU HN . 7317 1 149 . 1 1 44 44 LEU C C 13 178.870 0.2 . 1 . . . . 37 LEU C . 7317 1 150 . 1 1 44 44 LEU CA C 13 58.080 0.2 . 1 . . . . 37 LEU CA . 7317 1 151 . 1 1 44 44 LEU CB C 13 42.380 0.2 . 1 . . . . 37 LEU CB . 7317 1 152 . 1 1 44 44 LEU N N 15 120.910 0.1 . 1 . . . . 37 LEU N . 7317 1 153 . 1 1 45 45 LEU H H 1 8.540 0.01 . 1 . . . . 38 LEU HN . 7317 1 154 . 1 1 45 45 LEU CA C 13 57.720 0.2 . 1 . . . . 38 LEU CA . 7317 1 155 . 1 1 45 45 LEU N N 15 118.550 0.1 . 1 . . . . 38 LEU N . 7317 1 156 . 1 1 56 56 ASP C C 13 177.080 0.2 . 1 . . . . 49 ASP C . 7317 1 157 . 1 1 56 56 ASP CA C 13 54.430 0.2 . 1 . . . . 49 ASP CA . 7317 1 158 . 1 1 56 56 ASP CB C 13 41.160 0.2 . 1 . . . . 49 ASP CB . 7317 1 159 . 1 1 57 57 GLY H H 1 8.310 0.01 . 1 . . . . 50 GLY HN . 7317 1 160 . 1 1 57 57 GLY C C 13 174.770 0.2 . 1 . . . . 50 GLY C . 7317 1 161 . 1 1 57 57 GLY CA C 13 45.640 0.2 . 1 . . . . 50 GLY CA . 7317 1 162 . 1 1 57 57 GLY N N 15 109.100 0.1 . 1 . . . . 50 GLY N . 7317 1 163 . 1 1 58 58 THR H H 1 8.110 0.01 . 1 . . . . 51 THR HN . 7317 1 164 . 1 1 58 58 THR C C 13 174.530 0.2 . 1 . . . . 51 THR C . 7317 1 165 . 1 1 58 58 THR CA C 13 62.470 0.2 . 1 . . . . 51 THR CA . 7317 1 166 . 1 1 58 58 THR CB C 13 69.530 0.2 . 1 . . . . 51 THR CB . 7317 1 167 . 1 1 58 58 THR N N 15 113.490 0.1 . 1 . . . . 51 THR N . 7317 1 168 . 1 1 59 59 ASP H H 1 8.360 0.01 . 1 . . . . 52 ASP HN . 7317 1 169 . 1 1 59 59 ASP C C 13 175.980 0.2 . 1 . . . . 52 ASP C . 7317 1 170 . 1 1 59 59 ASP CA C 13 54.620 0.2 . 1 . . . . 52 ASP CA . 7317 1 171 . 1 1 59 59 ASP CB C 13 41.260 0.2 . 1 . . . . 52 ASP CB . 7317 1 172 . 1 1 59 59 ASP N N 15 122.310 0.1 . 1 . . . . 52 ASP N . 7317 1 173 . 1 1 60 60 ALA H H 1 8.040 0.01 . 1 . . . . 53 ALA HN . 7317 1 174 . 1 1 60 60 ALA CA C 13 52.700 0.2 . 1 . . . . 53 ALA CA . 7317 1 175 . 1 1 60 60 ALA N N 15 124.130 0.1 . 1 . . . . 53 ALA N . 7317 1 176 . 1 1 61 61 ALA C C 13 176.920 0.2 . 1 . . . . 54 ALA C . 7317 1 177 . 1 1 61 61 ALA CA C 13 52.510 0.2 . 1 . . . . 54 ALA CA . 7317 1 178 . 1 1 61 61 ALA CB C 13 19.450 0.2 . 1 . . . . 54 ALA CB . 7317 1 179 . 1 1 62 62 TYR H H 1 7.840 0.01 . 1 . . . . 55 TYR HN . 7317 1 180 . 1 1 62 62 TYR C C 13 174.140 0.2 . 1 . . . . 55 TYR C . 7317 1 181 . 1 1 62 62 TYR CA C 13 57.620 0.2 . 1 . . . . 55 TYR CA . 7317 1 182 . 1 1 62 62 TYR CB C 13 38.910 0.2 . 1 . . . . 55 TYR CB . 7317 1 183 . 1 1 62 62 TYR N N 15 118.890 0.1 . 1 . . . . 55 TYR N . 7317 1 184 . 1 1 63 63 TYR H H 1 7.680 0.01 . 1 . . . . 56 TYR HN . 7317 1 185 . 1 1 63 63 TYR CA C 13 55.160 0.2 . 1 . . . . 56 TYR CA . 7317 1 186 . 1 1 63 63 TYR N N 15 124.890 0.1 . 1 . . . . 56 TYR N . 7317 1 187 . 1 1 64 64 PRO C C 13 176.650 0.2 . 1 . . . . 57 PRO C . 7317 1 188 . 1 1 64 64 PRO CA C 13 62.900 0.2 . 1 . . . . 57 PRO CA . 7317 1 189 . 1 1 64 64 PRO CB C 13 31.990 0.2 . 1 . . . . 57 PRO CB . 7317 1 190 . 1 1 65 65 SER H H 1 8.390 0.01 . 1 . . . . 58 SER HN . 7317 1 191 . 1 1 65 65 SER C C 13 174.780 0.2 . 1 . . . . 58 SER C . 7317 1 192 . 1 1 65 65 SER CA C 13 58.680 0.2 . 1 . . . . 58 SER CA . 7317 1 193 . 1 1 65 65 SER CB C 13 63.890 0.2 . 1 . . . . 58 SER CB . 7317 1 194 . 1 1 65 65 SER N N 15 116.720 0.1 . 1 . . . . 58 SER N . 7317 1 195 . 1 1 66 66 ASP H H 1 8.420 0.01 . 1 . . . . 59 ASP HN . 7317 1 196 . 1 1 66 66 ASP C C 13 176.090 0.2 . 1 . . . . 59 ASP C . 7317 1 197 . 1 1 66 66 ASP CA C 13 54.820 0.2 . 1 . . . . 59 ASP CA . 7317 1 198 . 1 1 66 66 ASP CB C 13 41.110 0.2 . 1 . . . . 59 ASP CB . 7317 1 199 . 1 1 66 66 ASP N N 15 121.730 0.1 . 1 . . . . 59 ASP N . 7317 1 200 . 1 1 67 67 ASN H H 1 8.270 0.01 . 1 . . . . 60 ASN HN . 7317 1 201 . 1 1 67 67 ASN C C 13 174.830 0.2 . 1 . . . . 60 ASN C . 7317 1 202 . 1 1 67 67 ASN CA C 13 53.080 0.2 . 1 . . . . 60 ASN CA . 7317 1 203 . 1 1 67 67 ASN CB C 13 38.740 0.2 . 1 . . . . 60 ASN CB . 7317 1 204 . 1 1 67 67 ASN N N 15 117.740 0.1 . 1 . . . . 60 ASN N . 7317 1 205 . 1 1 68 68 ARG H H 1 7.940 0.01 . 1 . . . . 61 ARG HN . 7317 1 206 . 1 1 68 68 ARG C C 13 175.700 0.2 . 1 . . . . 61 ARG C . 7317 1 207 . 1 1 68 68 ARG CA C 13 56.650 0.2 . 1 . . . . 61 ARG CA . 7317 1 208 . 1 1 68 68 ARG CB C 13 31.190 0.2 . 1 . . . . 61 ARG CB . 7317 1 209 . 1 1 68 68 ARG N N 15 120.810 0.1 . 1 . . . . 61 ARG N . 7317 1 210 . 1 1 69 69 ASP H H 1 8.420 0.01 . 1 . . . . 62 ASP HN . 7317 1 211 . 1 1 69 69 ASP C C 13 175.220 0.2 . 1 . . . . 62 ASP C . 7317 1 212 . 1 1 69 69 ASP CA C 13 54.040 0.2 . 1 . . . . 62 ASP CA . 7317 1 213 . 1 1 69 69 ASP CB C 13 41.220 0.2 . 1 . . . . 62 ASP CB . 7317 1 214 . 1 1 69 69 ASP N N 15 122.700 0.1 . 1 . . . . 62 ASP N . 7317 1 215 . 1 1 70 70 ASP H H 1 8.110 0.01 . 1 . . . . 63 ASP HN . 7317 1 216 . 1 1 70 70 ASP C C 13 175.900 0.2 . 1 . . . . 63 ASP C . 7317 1 217 . 1 1 70 70 ASP CA C 13 53.670 0.2 . 1 . . . . 63 ASP CA . 7317 1 218 . 1 1 70 70 ASP CB C 13 40.640 0.2 . 1 . . . . 63 ASP CB . 7317 1 219 . 1 1 70 70 ASP N N 15 122.500 0.1 . 1 . . . . 63 ASP N . 7317 1 220 . 1 1 71 71 SER H H 1 8.250 0.01 . 1 . . . . 64 SER HN . 7317 1 221 . 1 1 71 71 SER CA C 13 57.090 0.2 . 1 . . . . 64 SER CA . 7317 1 222 . 1 1 71 71 SER CB C 13 63.730 0.2 . 1 . . . . 64 SER CB . 7317 1 223 . 1 1 71 71 SER N N 15 116.340 0.1 . 1 . . . . 64 SER N . 7317 1 224 . 1 1 72 72 PRO C C 13 177.480 0.2 . 1 . . . . 65 PRO C . 7317 1 225 . 1 1 72 72 PRO CA C 13 65.890 0.2 . 1 . . . . 65 PRO CA . 7317 1 226 . 1 1 72 72 PRO CB C 13 34.590 0.2 . 1 . . . . 65 PRO CB . 7317 1 227 . 1 1 73 73 GLU H H 1 9.100 0.01 . 1 . . . . 66 GLU HN . 7317 1 228 . 1 1 73 73 GLU C C 13 179.470 0.2 . 1 . . . . 66 GLU C . 7317 1 229 . 1 1 73 73 GLU CA C 13 60.780 0.2 . 1 . . . . 66 GLU CA . 7317 1 230 . 1 1 73 73 GLU CB C 13 28.650 0.2 . 1 . . . . 66 GLU CB . 7317 1 231 . 1 1 73 73 GLU N N 15 115.290 0.1 . 1 . . . . 66 GLU N . 7317 1 232 . 1 1 74 74 GLY H H 1 8.170 0.01 . 1 . . . . 67 GLY HN . 7317 1 233 . 1 1 74 74 GLY C C 13 176.820 0.2 . 1 . . . . 67 GLY C . 7317 1 234 . 1 1 74 74 GLY CA C 13 47.100 0.2 . 1 . . . . 67 GLY CA . 7317 1 235 . 1 1 74 74 GLY N N 15 110.920 0.1 . 1 . . . . 67 GLY N . 7317 1 236 . 1 1 75 75 ILE H H 1 8.420 0.01 . 1 . . . . 68 ILE HN . 7317 1 237 . 1 1 75 75 ILE C C 13 178.320 0.2 . 1 . . . . 68 ILE C . 7317 1 238 . 1 1 75 75 ILE CA C 13 64.700 0.2 . 1 . . . . 68 ILE CA . 7317 1 239 . 1 1 75 75 ILE CB C 13 37.700 0.2 . 1 . . . . 68 ILE CB . 7317 1 240 . 1 1 75 75 ILE N N 15 124.180 0.1 . 1 . . . . 68 ILE N . 7317 1 241 . 1 1 76 76 VAL H H 1 8.070 0.01 . 1 . . . . 69 VAL HN . 7317 1 242 . 1 1 76 76 VAL C C 13 177.310 0.2 . 1 . . . . 69 VAL C . 7317 1 243 . 1 1 76 76 VAL CA C 13 67.820 0.2 . 1 . . . . 69 VAL CA . 7317 1 244 . 1 1 76 76 VAL CB C 13 31.530 0.2 . 1 . . . . 69 VAL CB . 7317 1 245 . 1 1 76 76 VAL N N 15 119.110 0.1 . 1 . . . . 69 VAL N . 7317 1 246 . 1 1 77 77 LYS H H 1 7.710 0.01 . 1 . . . . 70 LYS HN . 7317 1 247 . 1 1 77 77 LYS C C 13 178.600 0.2 . 1 . . . . 70 LYS C . 7317 1 248 . 1 1 77 77 LYS CA C 13 60.230 0.2 . 1 . . . . 70 LYS CA . 7317 1 249 . 1 1 77 77 LYS CB C 13 32.580 0.2 . 1 . . . . 70 LYS CB . 7317 1 250 . 1 1 77 77 LYS N N 15 119.880 0.1 . 1 . . . . 70 LYS N . 7317 1 251 . 1 1 78 78 GLU H H 1 7.840 0.01 . 1 . . . . 71 GLU HN . 7317 1 252 . 1 1 78 78 GLU C C 13 179.980 0.2 . 1 . . . . 71 GLU C . 7317 1 253 . 1 1 78 78 GLU CA C 13 59.630 0.2 . 1 . . . . 71 GLU CA . 7317 1 254 . 1 1 78 78 GLU CB C 13 29.620 0.2 . 1 . . . . 71 GLU CB . 7317 1 255 . 1 1 78 78 GLU N N 15 118.990 0.1 . 1 . . . . 71 GLU N . 7317 1 256 . 1 1 79 79 ILE H H 1 8.680 0.01 . 1 . . . . 72 ILE HN . 7317 1 257 . 1 1 79 79 ILE C C 13 177.980 0.2 . 1 . . . . 72 ILE C . 7317 1 258 . 1 1 79 79 ILE CA C 13 65.510 0.2 . 1 . . . . 72 ILE CA . 7317 1 259 . 1 1 79 79 ILE CB C 13 37.980 0.2 . 1 . . . . 72 ILE CB . 7317 1 260 . 1 1 79 79 ILE N N 15 120.830 0.1 . 1 . . . . 72 ILE N . 7317 1 261 . 1 1 80 80 LYS H H 1 8.780 0.01 . 1 . . . . 73 LYS HN . 7317 1 262 . 1 1 80 80 LYS C C 13 180.180 0.2 . 1 . . . . 73 LYS C . 7317 1 263 . 1 1 80 80 LYS CA C 13 60.680 0.2 . 1 . . . . 73 LYS CA . 7317 1 264 . 1 1 80 80 LYS CB C 13 32.850 0.2 . 1 . . . . 73 LYS CB . 7317 1 265 . 1 1 80 80 LYS N N 15 120.130 0.1 . 1 . . . . 73 LYS N . 7317 1 266 . 1 1 81 81 GLU H H 1 8.200 0.01 . 1 . . . . 74 GLU HN . 7317 1 267 . 1 1 81 81 GLU C C 13 178.920 0.2 . 1 . . . . 74 GLU C . 7317 1 268 . 1 1 81 81 GLU CA C 13 59.460 0.2 . 1 . . . . 74 GLU CA . 7317 1 269 . 1 1 81 81 GLU CB C 13 29.530 0.2 . 1 . . . . 74 GLU CB . 7317 1 270 . 1 1 81 81 GLU N N 15 119.360 0.1 . 1 . . . . 74 GLU N . 7317 1 271 . 1 1 82 82 TRP H H 1 8.530 0.01 . 1 . . . . 75 TRP HN . 7317 1 272 . 1 1 82 82 TRP C C 13 179.210 0.2 . 1 . . . . 75 TRP C . 7317 1 273 . 1 1 82 82 TRP CA C 13 61.350 0.2 . 1 . . . . 75 TRP CA . 7317 1 274 . 1 1 82 82 TRP CB C 13 29.350 0.2 . 1 . . . . 75 TRP CB . 7317 1 275 . 1 1 82 82 TRP N N 15 123.150 0.1 . 1 . . . . 75 TRP N . 7317 1 276 . 1 1 83 83 ARG H H 1 8.830 0.01 . 1 . . . . 76 ARG HN . 7317 1 277 . 1 1 83 83 ARG C C 13 178.360 0.2 . 1 . . . . 76 ARG C . 7317 1 278 . 1 1 83 83 ARG CA C 13 58.730 0.2 . 1 . . . . 76 ARG CA . 7317 1 279 . 1 1 83 83 ARG N N 15 118.510 0.1 . 1 . . . . 76 ARG N . 7317 1 280 . 1 1 84 84 ALA H H 1 7.740 0.01 . 1 . . . . 77 ALA HN . 7317 1 281 . 1 1 84 84 ALA C C 13 181.500 0.2 . 1 . . . . 77 ALA C . 7317 1 282 . 1 1 84 84 ALA CA C 13 55.190 0.2 . 1 . . . . 77 ALA CA . 7317 1 283 . 1 1 84 84 ALA N N 15 120.670 0.1 . 1 . . . . 77 ALA N . 7317 1 284 . 1 1 85 85 ALA H H 1 8.120 0.01 . 1 . . . . 78 ALA HN . 7317 1 285 . 1 1 85 85 ALA C C 13 178.530 0.2 . 1 . . . . 78 ALA C . 7317 1 286 . 1 1 85 85 ALA CA C 13 54.430 0.2 . 1 . . . . 78 ALA CA . 7317 1 287 . 1 1 85 85 ALA CB C 13 18.430 0.2 . 1 . . . . 78 ALA CB . 7317 1 288 . 1 1 85 85 ALA N N 15 121.120 0.1 . 1 . . . . 78 ALA N . 7317 1 289 . 1 1 86 86 ASN H H 1 7.160 0.01 . 1 . . . . 79 ASN HN . 7317 1 290 . 1 1 86 86 ASN C C 13 174.560 0.2 . 1 . . . . 79 ASN C . 7317 1 291 . 1 1 86 86 ASN CA C 13 53.370 0.2 . 1 . . . . 79 ASN CA . 7317 1 292 . 1 1 86 86 ASN CB C 13 39.900 0.2 . 1 . . . . 79 ASN CB . 7317 1 293 . 1 1 86 86 ASN N N 15 113.650 0.1 . 1 . . . . 79 ASN N . 7317 1 294 . 1 1 87 87 GLY H H 1 7.720 0.01 . 1 . . . . 80 GLY HN . 7317 1 295 . 1 1 87 87 GLY C C 13 174.450 0.2 . 1 . . . . 80 GLY C . 7317 1 296 . 1 1 87 87 GLY CA C 13 47.090 0.2 . 1 . . . . 80 GLY CA . 7317 1 297 . 1 1 87 87 GLY N N 15 108.830 0.1 . 1 . . . . 80 GLY N . 7317 1 298 . 1 1 88 88 LYS H H 1 8.000 0.01 . 1 . . . . 81 LYS HN . 7317 1 299 . 1 1 88 88 LYS CA C 13 52.670 0.2 . 1 . . . . 81 LYS CA . 7317 1 300 . 1 1 88 88 LYS N N 15 119.460 0.1 . 1 . . . . 81 LYS N . 7317 1 301 . 1 1 89 89 PRO C C 13 176.600 0.2 . 1 . . . . 82 PRO C . 7317 1 302 . 1 1 89 89 PRO CA C 13 62.750 0.2 . 1 . . . . 82 PRO CA . 7317 1 303 . 1 1 89 89 PRO CB C 13 32.440 0.2 . 1 . . . . 82 PRO CB . 7317 1 304 . 1 1 90 90 GLY H H 1 8.280 0.01 . 1 . . . . 83 GLY HN . 7317 1 305 . 1 1 90 90 GLY C C 13 173.930 0.2 . 1 . . . . 83 GLY C . 7317 1 306 . 1 1 90 90 GLY CA C 13 43.530 0.2 . 1 . . . . 83 GLY CA . 7317 1 307 . 1 1 90 90 GLY N N 15 109.900 0.1 . 1 . . . . 83 GLY N . 7317 1 308 . 1 1 91 91 PHE H H 1 8.080 0.01 . 1 . . . . 84 PHE HN . 7317 1 309 . 1 1 91 91 PHE C C 13 176.430 0.2 . 1 . . . . 84 PHE C . 7317 1 310 . 1 1 91 91 PHE CA C 13 59.610 0.2 . 1 . . . . 84 PHE CA . 7317 1 311 . 1 1 91 91 PHE CB C 13 39.850 0.2 . 1 . . . . 84 PHE CB . 7317 1 312 . 1 1 91 91 PHE N N 15 119.300 0.1 . 1 . . . . 84 PHE N . 7317 1 313 . 1 1 92 92 LYS H H 1 8.450 0.01 . 1 . . . . 85 LYS HN . 7317 1 314 . 1 1 92 92 LYS C C 13 176.590 0.2 . 1 . . . . 85 LYS C . 7317 1 315 . 1 1 92 92 LYS CA C 13 57.290 0.2 . 1 . . . . 85 LYS CA . 7317 1 316 . 1 1 92 92 LYS CB C 13 32.870 0.2 . 1 . . . . 85 LYS CB . 7317 1 317 . 1 1 92 92 LYS N N 15 123.880 0.1 . 1 . . . . 85 LYS N . 7317 1 318 . 1 1 93 93 GLN H H 1 8.650 0.01 . 1 . . . . 86 GLN HN . 7317 1 319 . 1 1 93 93 GLN C C 13 175.470 0.2 . 1 . . . . 86 GLN C . 7317 1 320 . 1 1 93 93 GLN CA C 13 56.360 0.2 . 1 . . . . 86 GLN CA . 7317 1 321 . 1 1 93 93 GLN CB C 13 29.680 0.2 . 1 . . . . 86 GLN CB . 7317 1 322 . 1 1 93 93 GLN N N 15 124.450 0.1 . 1 . . . . 86 GLN N . 7317 1 323 . 1 1 94 94 GLY H H 1 8.050 0.01 . 1 . . . . 87 GLY HN . 7317 1 324 . 1 1 94 94 GLY CA C 13 46.510 0.2 . 1 . . . . 87 GLY CA . 7317 1 325 . 1 1 94 94 GLY N N 15 116.860 0.1 . 1 . . . . 87 GLY N . 7317 1 stop_ save_