################################### # 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 19773 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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' . . . 19773 1 2 '3D CBCA(CO)NH' . . . 19773 1 3 '3D HNCACB' . . . 19773 1 4 '3D HNCO' . . . 19773 1 5 '3D HBHA(CO)NH' . . . 19773 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 3 3 LEU H H 1 8.698 0.020 . 1 . . . A -2 LEU H . 19773 1 2 . 1 1 3 3 LEU HA H 1 4.278 0.020 . 1 . . . A -2 LEU HA . 19773 1 3 . 1 1 3 3 LEU CA C 13 55.285 0.3 . 1 . . . A -2 LEU CA . 19773 1 4 . 1 1 3 3 LEU CB C 13 41.838 0.3 . 1 . . . A -2 LEU CB . 19773 1 5 . 1 1 3 3 LEU N N 15 122.671 0.3 . 1 . . . A -2 LEU N . 19773 1 6 . 1 1 4 4 GLY H H 1 8.535 0.020 . 1 . . . A -1 GLY H . 19773 1 7 . 1 1 4 4 GLY HA2 H 1 3.899 0.020 . 1 . . . A -1 GLY HA2 . 19773 1 8 . 1 1 4 4 GLY HA3 H 1 3.899 0.020 . 1 . . . A -1 GLY HA3 . 19773 1 9 . 1 1 4 4 GLY CA C 13 45.098 0.3 . 1 . . . A -1 GLY CA . 19773 1 10 . 1 1 4 4 GLY N N 15 109.817 0.3 . 1 . . . A -1 GLY N . 19773 1 11 . 1 1 5 5 SER H H 1 8.320 0.020 . 1 . . . A 0 SER H . 19773 1 12 . 1 1 5 5 SER HA H 1 4.361 0.020 . 1 . . . A 0 SER HA . 19773 1 13 . 1 1 5 5 SER CA C 13 58.330 0.3 . 1 . . . A 0 SER CA . 19773 1 14 . 1 1 5 5 SER CB C 13 63.425 0.3 . 1 . . . A 0 SER CB . 19773 1 15 . 1 1 5 5 SER N N 15 115.797 0.3 . 1 . . . A 0 SER N . 19773 1 16 . 1 1 6 6 ARG H H 1 8.299 0.020 . 1 . . . A 74 ARG H . 19773 1 17 . 1 1 6 6 ARG CA C 13 58.395 0.3 . 1 . . . A 74 ARG CA . 19773 1 18 . 1 1 6 6 ARG CB C 13 27.468 0.3 . 1 . . . A 74 ARG CB . 19773 1 19 . 1 1 6 6 ARG N N 15 120.410 0.3 . 1 . . . A 74 ARG N . 19773 1 20 . 1 1 7 7 LYS H H 1 8.411 0.020 . 1 . . . A 75 LYS H . 19773 1 21 . 1 1 7 7 LYS HA H 1 4.216 0.020 . 1 . . . A 75 LYS HA . 19773 1 22 . 1 1 7 7 LYS CA C 13 56.371 0.3 . 1 . . . A 75 LYS CA . 19773 1 23 . 1 1 7 7 LYS CB C 13 32.488 0.3 . 1 . . . A 75 LYS CB . 19773 1 24 . 1 1 7 7 LYS N N 15 122.983 0.3 . 1 . . . A 75 LYS N . 19773 1 25 . 1 1 8 8 ILE H H 1 8.242 0.020 . 1 . . . A 76 ILE H . 19773 1 26 . 1 1 8 8 ILE HA H 1 4.059 0.020 . 1 . . . A 76 ILE HA . 19773 1 27 . 1 1 8 8 ILE CA C 13 61.181 0.3 . 1 . . . A 76 ILE CA . 19773 1 28 . 1 1 8 8 ILE CB C 13 38.371 0.3 . 1 . . . A 76 ILE CB . 19773 1 29 . 1 1 8 8 ILE N N 15 122.749 0.3 . 1 . . . A 76 ILE N . 19773 1 30 . 1 1 9 9 ALA H H 1 8.463 0.020 . 1 . . . A 77 ALA H . 19773 1 31 . 1 1 9 9 ALA HA H 1 4.183 0.020 . 1 . . . A 77 ALA HA . 19773 1 32 . 1 1 9 9 ALA CA C 13 52.609 0.3 . 1 . . . A 77 ALA CA . 19773 1 33 . 1 1 9 9 ALA CB C 13 18.812 0.3 . 1 . . . A 77 ALA CB . 19773 1 34 . 1 1 9 9 ALA N N 15 127.358 0.3 . 1 . . . A 77 ALA N . 19773 1 35 . 1 1 10 10 GLN H H 1 8.359 0.020 . 1 . . . A 78 GLN H . 19773 1 36 . 1 1 10 10 GLN HA H 1 4.214 0.020 . 1 . . . A 78 GLN HA . 19773 1 37 . 1 1 10 10 GLN CA C 13 55.596 0.3 . 1 . . . A 78 GLN CA . 19773 1 38 . 1 1 10 10 GLN CB C 13 29.016 0.3 . 1 . . . A 78 GLN CB . 19773 1 39 . 1 1 10 10 GLN N N 15 119.077 0.3 . 1 . . . A 78 GLN N . 19773 1 40 . 1 1 11 11 MET H H 1 8.360 0.020 . 1 . . . A 79 MET H . 19773 1 41 . 1 1 11 11 MET HA H 1 4.450 0.020 . 1 . . . A 79 MET HA . 19773 1 42 . 1 1 11 11 MET CA C 13 55.906 0.3 . 1 . . . A 79 MET CA . 19773 1 43 . 1 1 11 11 MET CB C 13 34.019 0.3 . 1 . . . A 79 MET CB . 19773 1 44 . 1 1 11 11 MET N N 15 121.781 0.3 . 1 . . . A 79 MET N . 19773 1 45 . 1 1 12 12 THR H H 1 8.444 0.020 . 1 . . . A 80 THR H . 19773 1 46 . 1 1 12 12 THR HA H 1 4.330 0.020 . 1 . . . A 80 THR HA . 19773 1 47 . 1 1 12 12 THR CA C 13 61.229 0.3 . 1 . . . A 80 THR CA . 19773 1 48 . 1 1 12 12 THR CB C 13 70.232 0.3 . 1 . . . A 80 THR CB . 19773 1 49 . 1 1 12 12 THR N N 15 114.156 0.3 . 1 . . . A 80 THR N . 19773 1 50 . 1 1 13 13 GLU H H 1 8.972 0.020 . 1 . . . A 82 GLU H . 19773 1 51 . 1 1 13 13 GLU HA H 1 4.100 0.020 . 1 . . . A 82 GLU HA . 19773 1 52 . 1 1 13 13 GLU CA C 13 59.179 0.3 . 1 . . . A 82 GLU CA . 19773 1 53 . 1 1 13 13 GLU CB C 13 29.180 0.3 . 1 . . . A 82 GLU CB . 19773 1 54 . 1 1 13 13 GLU N N 15 121.811 0.3 . 1 . . . A 82 GLU N . 19773 1 55 . 1 1 14 14 GLU H H 1 8.776 0.020 . 1 . . . A 83 GLU H . 19773 1 56 . 1 1 14 14 GLU HA H 1 4.056 0.020 . 1 . . . A 83 GLU HA . 19773 1 57 . 1 1 14 14 GLU CA C 13 58.801 0.3 . 1 . . . A 83 GLU CA . 19773 1 58 . 1 1 14 14 GLU CB C 13 29.315 0.3 . 1 . . . A 83 GLU CB . 19773 1 59 . 1 1 14 14 GLU N N 15 120.249 0.3 . 1 . . . A 83 GLU N . 19773 1 60 . 1 1 15 15 GLN H H 1 8.037 0.020 . 1 . . . A 84 GLN H . 19773 1 61 . 1 1 15 15 GLN HA H 1 3.985 0.020 . 1 . . . A 84 GLN HA . 19773 1 62 . 1 1 15 15 GLN CA C 13 57.908 0.3 . 1 . . . A 84 GLN CA . 19773 1 63 . 1 1 15 15 GLN CB C 13 28.390 0.3 . 1 . . . A 84 GLN CB . 19773 1 64 . 1 1 15 15 GLN N N 15 119.958 0.3 . 1 . . . A 84 GLN N . 19773 1 65 . 1 1 16 16 PHE H H 1 8.652 0.020 . 1 . . . A 85 PHE H . 19773 1 66 . 1 1 16 16 PHE HA H 1 4.305 0.020 . 1 . . . A 85 PHE HA . 19773 1 67 . 1 1 16 16 PHE CA C 13 60.256 0.3 . 1 . . . A 85 PHE CA . 19773 1 68 . 1 1 16 16 PHE CB C 13 38.716 0.3 . 1 . . . A 85 PHE CB . 19773 1 69 . 1 1 16 16 PHE N N 15 121.733 0.3 . 1 . . . A 85 PHE N . 19773 1 70 . 1 1 17 17 ALA H H 1 8.209 0.020 . 1 . . . A 86 ALA H . 19773 1 71 . 1 1 17 17 ALA HA H 1 4.052 0.020 . 1 . . . A 86 ALA HA . 19773 1 72 . 1 1 17 17 ALA CA C 13 54.315 0.3 . 1 . . . A 86 ALA CA . 19773 1 73 . 1 1 17 17 ALA CB C 13 18.074 0.3 . 1 . . . A 86 ALA CB . 19773 1 74 . 1 1 17 17 ALA N N 15 121.811 0.3 . 1 . . . A 86 ALA N . 19773 1 75 . 1 1 18 18 LEU H H 1 7.877 0.020 . 1 . . . A 87 LEU H . 19773 1 76 . 1 1 18 18 LEU HA H 1 4.137 0.020 . 1 . . . A 87 LEU HA . 19773 1 77 . 1 1 18 18 LEU CA C 13 56.826 0.3 . 1 . . . A 87 LEU CA . 19773 1 78 . 1 1 18 18 LEU CB C 13 41.605 0.3 . 1 . . . A 87 LEU CB . 19773 1 79 . 1 1 18 18 LEU N N 15 119.780 0.3 . 1 . . . A 87 LEU N . 19773 1 80 . 1 1 19 19 ALA H H 1 8.020 0.020 . 1 . . . A 88 ALA H . 19773 1 81 . 1 1 19 19 ALA HA H 1 4.052 0.020 . 1 . . . A 88 ALA HA . 19773 1 82 . 1 1 19 19 ALA CA C 13 54.021 0.3 . 1 . . . A 88 ALA CA . 19773 1 83 . 1 1 19 19 ALA CB C 13 17.768 0.3 . 1 . . . A 88 ALA CB . 19773 1 84 . 1 1 19 19 ALA N N 15 122.593 0.3 . 1 . . . A 88 ALA N . 19773 1 85 . 1 1 20 20 LEU H H 1 8.021 0.020 . 1 . . . A 89 LEU H . 19773 1 86 . 1 1 20 20 LEU HA H 1 4.052 0.020 . 1 . . . A 89 LEU HA . 19773 1 87 . 1 1 20 20 LEU CA C 13 56.502 0.3 . 1 . . . A 89 LEU CA . 19773 1 88 . 1 1 20 20 LEU CB C 13 41.538 0.3 . 1 . . . A 89 LEU CB . 19773 1 89 . 1 1 20 20 LEU N N 15 120.028 0.3 . 1 . . . A 89 LEU N . 19773 1 90 . 1 1 21 21 LYS H H 1 7.896 0.020 . 1 . . . A 90 LYS H . 19773 1 91 . 1 1 21 21 LYS HA H 1 4.148 0.020 . 1 . . . A 90 LYS HA . 19773 1 92 . 1 1 21 21 LYS CA C 13 57.557 0.3 . 1 . . . A 90 LYS CA . 19773 1 93 . 1 1 21 21 LYS CB C 13 32.215 0.3 . 1 . . . A 90 LYS CB . 19773 1 94 . 1 1 21 21 LYS N N 15 120.483 0.3 . 1 . . . A 90 LYS N . 19773 1 95 . 1 1 22 22 MET H H 1 8.320 0.020 . 1 . . . A 91 MET H . 19773 1 96 . 1 1 22 22 MET HA H 1 4.291 0.020 . 1 . . . A 91 MET HA . 19773 1 97 . 1 1 22 22 MET CA C 13 56.541 0.3 . 1 . . . A 91 MET CA . 19773 1 98 . 1 1 22 22 MET N N 15 119.156 0.3 . 1 . . . A 91 MET N . 19773 1 99 . 1 1 23 23 SER H H 1 8.297 0.020 . 1 . . . A 92 SER H . 19773 1 100 . 1 1 23 23 SER HA H 1 4.291 0.020 . 1 . . . A 92 SER HA . 19773 1 101 . 1 1 23 23 SER CA C 13 59.584 0.3 . 1 . . . A 92 SER CA . 19773 1 102 . 1 1 23 23 SER CB C 13 63.074 0.3 . 1 . . . A 92 SER CB . 19773 1 103 . 1 1 23 23 SER N N 15 116.382 0.3 . 1 . . . A 92 SER N . 19773 1 104 . 1 1 24 24 GLU H H 1 8.313 0.020 . 1 . . . A 93 GLU H . 19773 1 105 . 1 1 24 24 GLU HA H 1 4.135 0.020 . 1 . . . A 93 GLU HA . 19773 1 106 . 1 1 24 24 GLU CA C 13 57.508 0.3 . 1 . . . A 93 GLU CA . 19773 1 107 . 1 1 24 24 GLU CB C 13 29.613 0.3 . 1 . . . A 93 GLU CB . 19773 1 108 . 1 1 24 24 GLU N N 15 122.202 0.3 . 1 . . . A 93 GLU N . 19773 1 109 . 1 1 25 25 GLN H H 1 8.177 0.020 . 1 . . . A 94 GLN H . 19773 1 110 . 1 1 25 25 GLN HA H 1 4.135 0.020 . 1 . . . A 94 GLN HA . 19773 1 111 . 1 1 25 25 GLN CA C 13 56.877 0.3 . 1 . . . A 94 GLN CA . 19773 1 112 . 1 1 25 25 GLN CB C 13 28.826 0.3 . 1 . . . A 94 GLN CB . 19773 1 113 . 1 1 25 25 GLN N N 15 119.546 0.3 . 1 . . . A 94 GLN N . 19773 1 114 . 1 1 26 26 GLU H H 1 8.281 0.020 . 1 . . . A 95 GLU H . 19773 1 115 . 1 1 26 26 GLU HA H 1 4.066 0.020 . 1 . . . A 95 GLU HA . 19773 1 116 . 1 1 26 26 GLU CA C 13 57.161 0.3 . 1 . . . A 95 GLU CA . 19773 1 117 . 1 1 26 26 GLU CB C 13 29.906 0.3 . 1 . . . A 95 GLU CB . 19773 1 118 . 1 1 26 26 GLU N N 15 121.030 0.3 . 1 . . . A 95 GLU N . 19773 1 119 . 1 1 27 27 ALA H H 1 8.242 0.020 . 1 . . . A 96 ALA H . 19773 1 120 . 1 1 27 27 ALA HA H 1 4.183 0.020 . 1 . . . A 96 ALA HA . 19773 1 121 . 1 1 27 27 ALA CA C 13 52.759 0.3 . 1 . . . A 96 ALA CA . 19773 1 122 . 1 1 27 27 ALA CB C 13 18.405 0.3 . 1 . . . A 96 ALA CB . 19773 1 123 . 1 1 27 27 ALA N N 15 123.530 0.3 . 1 . . . A 96 ALA N . 19773 1 124 . 1 1 28 28 ARG H H 1 8.131 0.020 . 1 . . . A 97 ARG H . 19773 1 125 . 1 1 28 28 ARG HA H 1 4.209 0.020 . 1 . . . A 97 ARG HA . 19773 1 126 . 1 1 28 28 ARG CA C 13 56.469 0.3 . 1 . . . A 97 ARG CA . 19773 1 127 . 1 1 28 28 ARG CB C 13 30.641 0.3 . 1 . . . A 97 ARG CB . 19773 1 128 . 1 1 28 28 ARG N N 15 119.624 0.3 . 1 . . . A 97 ARG N . 19773 1 129 . 1 1 29 29 GLU H H 1 8.374 0.020 . 1 . . . A 98 GLU H . 19773 1 130 . 1 1 29 29 GLU HA H 1 4.177 0.020 . 1 . . . A 98 GLU HA . 19773 1 131 . 1 1 29 29 GLU CA C 13 56.531 0.3 . 1 . . . A 98 GLU CA . 19773 1 132 . 1 1 29 29 GLU CB C 13 29.665 0.3 . 1 . . . A 98 GLU CB . 19773 1 133 . 1 1 29 29 GLU N N 15 121.837 0.3 . 1 . . . A 98 GLU N . 19773 1 134 . 1 1 30 30 VAL H H 1 8.261 0.020 . 1 . . . A 99 VAL H . 19773 1 135 . 1 1 30 30 VAL HA H 1 3.974 0.020 . 1 . . . A 99 VAL HA . 19773 1 136 . 1 1 30 30 VAL CA C 13 62.503 0.3 . 1 . . . A 99 VAL CA . 19773 1 137 . 1 1 30 30 VAL CB C 13 32.457 0.3 . 1 . . . A 99 VAL CB . 19773 1 138 . 1 1 30 30 VAL N N 15 121.265 0.3 . 1 . . . A 99 VAL N . 19773 1 139 . 1 1 31 31 ASN H H 1 8.639 0.020 . 1 . . . A 100 ASN H . 19773 1 140 . 1 1 31 31 ASN HA H 1 4.718 0.020 . 1 . . . A 100 ASN HA . 19773 1 141 . 1 1 31 31 ASN CA C 13 53.117 0.3 . 1 . . . A 100 ASN CA . 19773 1 142 . 1 1 31 31 ASN CB C 13 38.768 0.3 . 1 . . . A 100 ASN CB . 19773 1 143 . 1 1 31 31 ASN N N 15 122.280 0.3 . 1 . . . A 100 ASN N . 19773 1 144 . 1 1 32 32 SER H H 1 8.542 0.020 . 1 . . . A 101 SER H . 19773 1 145 . 1 1 32 32 SER HA H 1 4.349 0.020 . 1 . . . A 101 SER HA . 19773 1 146 . 1 1 32 32 SER CA C 13 58.970 0.3 . 1 . . . A 101 SER CA . 19773 1 147 . 1 1 32 32 SER CB C 13 63.397 0.3 . 1 . . . A 101 SER CB . 19773 1 148 . 1 1 32 32 SER N N 15 117.046 0.3 . 1 . . . A 101 SER N . 19773 1 149 . 1 1 33 33 GLN H H 1 8.594 0.020 . 1 . . . A 102 GLN H . 19773 1 150 . 1 1 33 33 GLN HA H 1 4.203 0.020 . 1 . . . A 102 GLN HA . 19773 1 151 . 1 1 33 33 GLN CA C 13 57.170 0.3 . 1 . . . A 102 GLN CA . 19773 1 152 . 1 1 33 33 GLN CB C 13 28.389 0.3 . 1 . . . A 102 GLN CB . 19773 1 153 . 1 1 33 33 GLN N N 15 122.514 0.3 . 1 . . . A 102 GLN N . 19773 1 154 . 1 1 34 34 GLU H H 1 8.496 0.020 . 1 . . . A 103 GLU H . 19773 1 155 . 1 1 34 34 GLU HA H 1 4.093 0.020 . 1 . . . A 103 GLU HA . 19773 1 156 . 1 1 34 34 GLU CA C 13 57.993 0.3 . 1 . . . A 103 GLU CA . 19773 1 157 . 1 1 34 34 GLU CB C 13 29.489 0.3 . 1 . . . A 103 GLU CB . 19773 1 158 . 1 1 34 34 GLU N N 15 120.874 0.3 . 1 . . . A 103 GLU N . 19773 1 159 . 1 1 35 35 GLU H H 1 8.379 0.020 . 1 . . . A 104 GLU H . 19773 1 160 . 1 1 35 35 GLU HA H 1 4.122 0.020 . 1 . . . A 104 GLU HA . 19773 1 161 . 1 1 35 35 GLU CA C 13 57.847 0.3 . 1 . . . A 104 GLU CA . 19773 1 162 . 1 1 35 35 GLU CB C 13 29.643 0.3 . 1 . . . A 104 GLU CB . 19773 1 163 . 1 1 35 35 GLU N N 15 120.874 0.3 . 1 . . . A 104 GLU N . 19773 1 164 . 1 1 36 36 GLU H H 1 8.437 0.020 . 1 . . . A 105 GLU H . 19773 1 165 . 1 1 36 36 GLU HA H 1 4.121 0.020 . 1 . . . A 105 GLU HA . 19773 1 166 . 1 1 36 36 GLU CA C 13 58.082 0.3 . 1 . . . A 105 GLU CA . 19773 1 167 . 1 1 36 36 GLU N N 15 121.421 0.3 . 1 . . . A 105 GLU N . 19773 1 168 . 1 1 37 37 GLU H H 1 8.463 0.020 . 1 . . . A 106 GLU H . 19773 1 169 . 1 1 37 37 GLU HA H 1 4.004 0.020 . 1 . . . A 106 GLU HA . 19773 1 170 . 1 1 37 37 GLU CA C 13 58.675 0.3 . 1 . . . A 106 GLU CA . 19773 1 171 . 1 1 37 37 GLU CB C 13 29.321 0.3 . 1 . . . A 106 GLU CB . 19773 1 172 . 1 1 37 37 GLU N N 15 120.640 0.3 . 1 . . . A 106 GLU N . 19773 1 173 . 1 1 38 38 GLU H H 1 8.385 0.020 . 1 . . . A 107 GLU H . 19773 1 174 . 1 1 38 38 GLU HA H 1 4.045 0.020 . 1 . . . A 107 GLU HA . 19773 1 175 . 1 1 38 38 GLU CA C 13 59.002 0.3 . 1 . . . A 107 GLU CA . 19773 1 176 . 1 1 38 38 GLU CB C 13 29.036 0.3 . 1 . . . A 107 GLU CB . 19773 1 177 . 1 1 38 38 GLU N N 15 120.249 0.3 . 1 . . . A 107 GLU N . 19773 1 178 . 1 1 39 39 GLU H H 1 8.125 0.020 . 1 . . . A 108 GLU H . 19773 1 179 . 1 1 39 39 GLU HA H 1 4.128 0.020 . 1 . . . A 108 GLU HA . 19773 1 180 . 1 1 39 39 GLU CA C 13 58.402 0.3 . 1 . . . A 108 GLU CA . 19773 1 181 . 1 1 39 39 GLU CB C 13 28.820 0.3 . 1 . . . A 108 GLU CB . 19773 1 182 . 1 1 39 39 GLU N N 15 120.902 0.3 . 1 . . . A 108 GLU N . 19773 1 183 . 1 1 40 40 LEU H H 1 8.085 0.020 . 1 . . . A 109 LEU H . 19773 1 184 . 1 1 40 40 LEU HA H 1 3.994 0.020 . 1 . . . A 109 LEU HA . 19773 1 185 . 1 1 40 40 LEU CA C 13 57.460 0.3 . 1 . . . A 109 LEU CA . 19773 1 186 . 1 1 40 40 LEU CB C 13 41.485 0.3 . 1 . . . A 109 LEU CB . 19773 1 187 . 1 1 40 40 LEU N N 15 120.327 0.3 . 1 . . . A 109 LEU N . 19773 1 188 . 1 1 41 41 LEU H H 1 7.948 0.020 . 1 . . . A 110 LEU H . 19773 1 189 . 1 1 41 41 LEU HA H 1 4.155 0.020 . 1 . . . A 110 LEU HA . 19773 1 190 . 1 1 41 41 LEU CA C 13 57.197 0.3 . 1 . . . A 110 LEU CA . 19773 1 191 . 1 1 41 41 LEU CB C 13 41.472 0.3 . 1 . . . A 110 LEU CB . 19773 1 192 . 1 1 41 41 LEU N N 15 121.108 0.3 . 1 . . . A 110 LEU N . 19773 1 193 . 1 1 42 42 ARG H H 1 8.111 0.020 . 1 . . . A 111 ARG H . 19773 1 194 . 1 1 42 42 ARG HA H 1 3.902 0.020 . 1 . . . A 111 ARG HA . 19773 1 195 . 1 1 42 42 ARG CA C 13 59.013 0.3 . 1 . . . A 111 ARG CA . 19773 1 196 . 1 1 42 42 ARG CB C 13 29.965 0.3 . 1 . . . A 111 ARG CB . 19773 1 197 . 1 1 42 42 ARG N N 15 119.390 0.3 . 1 . . . A 111 ARG N . 19773 1 198 . 1 1 43 43 LYS H H 1 8.273 0.020 . 1 . . . A 112 LYS H . 19773 1 199 . 1 1 43 43 LYS HA H 1 4.059 0.020 . 1 . . . A 112 LYS HA . 19773 1 200 . 1 1 43 43 LYS CA C 13 58.715 0.3 . 1 . . . A 112 LYS CA . 19773 1 201 . 1 1 43 43 LYS CB C 13 32.443 0.3 . 1 . . . A 112 LYS CB . 19773 1 202 . 1 1 43 43 LYS N N 15 120.418 0.3 . 1 . . . A 112 LYS N . 19773 1 203 . 1 1 44 44 ALA H H 1 7.978 0.020 . 1 . . . A 113 ALA H . 19773 1 204 . 1 1 44 44 ALA HA H 1 4.169 0.020 . 1 . . . A 113 ALA HA . 19773 1 205 . 1 1 44 44 ALA CA C 13 54.293 0.3 . 1 . . . A 113 ALA CA . 19773 1 206 . 1 1 44 44 ALA CB C 13 18.053 0.3 . 1 . . . A 113 ALA CB . 19773 1 207 . 1 1 44 44 ALA N N 15 122.758 0.3 . 1 . . . A 113 ALA N . 19773 1 208 . 1 1 45 45 ILE H H 1 8.229 0.020 . 1 . . . A 114 ILE H . 19773 1 209 . 1 1 45 45 ILE HA H 1 3.766 0.020 . 1 . . . A 114 ILE HA . 19773 1 210 . 1 1 45 45 ILE CA C 13 63.420 0.3 . 1 . . . A 114 ILE CA . 19773 1 211 . 1 1 45 45 ILE CB C 13 38.078 0.3 . 1 . . . A 114 ILE CB . 19773 1 212 . 1 1 45 45 ILE N N 15 120.171 0.3 . 1 . . . A 114 ILE N . 19773 1 213 . 1 1 46 46 ALA H H 1 8.072 0.020 . 1 . . . A 115 ALA H . 19773 1 214 . 1 1 46 46 ALA HA H 1 4.107 0.020 . 1 . . . A 115 ALA HA . 19773 1 215 . 1 1 46 46 ALA CA C 13 54.321 0.3 . 1 . . . A 115 ALA CA . 19773 1 216 . 1 1 46 46 ALA CB C 13 18.054 0.3 . 1 . . . A 115 ALA CB . 19773 1 217 . 1 1 46 46 ALA N N 15 123.999 0.3 . 1 . . . A 115 ALA N . 19773 1 218 . 1 1 47 47 GLU H H 1 8.313 0.020 . 1 . . . A 116 GLU H . 19773 1 219 . 1 1 47 47 GLU HA H 1 4.120 0.020 . 1 . . . A 116 GLU HA . 19773 1 220 . 1 1 47 47 GLU CA C 13 57.776 0.3 . 1 . . . A 116 GLU CA . 19773 1 221 . 1 1 47 47 GLU CB C 13 29.311 0.3 . 1 . . . A 116 GLU CB . 19773 1 222 . 1 1 47 47 GLU N N 15 118.140 0.3 . 1 . . . A 116 GLU N . 19773 1 223 . 1 1 48 48 SER H H 1 8.040 0.020 . 1 . . . A 117 SER H . 19773 1 224 . 1 1 48 48 SER HA H 1 4.291 0.020 . 1 . . . A 117 SER HA . 19773 1 225 . 1 1 48 48 SER CA C 13 59.647 0.3 . 1 . . . A 117 SER CA . 19773 1 226 . 1 1 48 48 SER CB C 13 63.022 0.3 . 1 . . . A 117 SER CB . 19773 1 227 . 1 1 48 48 SER N N 15 115.640 0.3 . 1 . . . A 117 SER N . 19773 1 228 . 1 1 49 49 LEU H H 1 7.968 0.020 . 1 . . . A 118 LEU H . 19773 1 229 . 1 1 49 49 LEU HA H 1 4.224 0.020 . 1 . . . A 118 LEU HA . 19773 1 230 . 1 1 49 49 LEU CA C 13 55.875 0.3 . 1 . . . A 118 LEU CA . 19773 1 231 . 1 1 49 49 LEU CB C 13 41.794 0.3 . 1 . . . A 118 LEU CB . 19773 1 232 . 1 1 49 49 LEU N N 15 122.593 0.3 . 1 . . . A 118 LEU N . 19773 1 233 . 1 1 50 50 ASN H H 1 8.183 0.020 . 1 . . . A 119 ASN H . 19773 1 234 . 1 1 50 50 ASN HA H 1 4.634 0.020 . 1 . . . A 119 ASN HA . 19773 1 235 . 1 1 50 50 ASN CA C 13 53.533 0.3 . 1 . . . A 119 ASN CA . 19773 1 236 . 1 1 50 50 ASN CB C 13 38.545 0.3 . 1 . . . A 119 ASN CB . 19773 1 237 . 1 1 50 50 ASN N N 15 117.828 0.3 . 1 . . . A 119 ASN N . 19773 1 238 . 1 1 51 51 SER H H 1 8.183 0.020 . 1 . . . A 120 SER H . 19773 1 239 . 1 1 51 51 SER HA H 1 4.332 0.020 . 1 . . . A 120 SER HA . 19773 1 240 . 1 1 51 51 SER CA C 13 58.417 0.3 . 1 . . . A 120 SER CA . 19773 1 241 . 1 1 51 51 SER CB C 13 63.386 0.3 . 1 . . . A 120 SER CB . 19773 1 242 . 1 1 51 51 SER N N 15 115.484 0.3 . 1 . . . A 120 SER N . 19773 1 243 . 1 1 52 52 CYS H H 1 8.450 0.020 . 1 . . . A 121 CYS H . 19773 1 244 . 1 1 52 52 CYS CA C 13 55.898 0.3 . 1 . . . A 121 CYS CA . 19773 1 245 . 1 1 52 52 CYS CB C 13 30.564 0.3 . 1 . . . A 121 CYS CB . 19773 1 246 . 1 1 52 52 CYS N N 15 123.139 0.3 . 1 . . . A 121 CYS N . 19773 1 247 . 1 1 55 55 SER H H 1 8.587 0.020 . 1 . . . A 124 SER H . 19773 1 248 . 1 1 55 55 SER HA H 1 4.311 0.020 . 1 . . . A 124 SER HA . 19773 1 249 . 1 1 55 55 SER CA C 13 58.360 0.3 . 1 . . . A 124 SER CA . 19773 1 250 . 1 1 55 55 SER CB C 13 63.486 0.3 . 1 . . . A 124 SER CB . 19773 1 251 . 1 1 55 55 SER N N 15 116.031 0.3 . 1 . . . A 124 SER N . 19773 1 252 . 1 1 56 56 ASP H H 1 8.424 0.020 . 1 . . . A 125 ASP H . 19773 1 253 . 1 1 56 56 ASP HA H 1 4.555 0.020 . 1 . . . A 125 ASP HA . 19773 1 254 . 1 1 56 56 ASP CA C 13 54.016 0.3 . 1 . . . A 125 ASP CA . 19773 1 255 . 1 1 56 56 ASP CB C 13 40.864 0.3 . 1 . . . A 125 ASP CB . 19773 1 256 . 1 1 56 56 ASP N N 15 122.514 0.3 . 1 . . . A 125 ASP N . 19773 1 257 . 1 1 57 57 ALA H H 1 8.398 0.020 . 1 . . . A 126 ALA H . 19773 1 258 . 1 1 57 57 ALA HA H 1 4.223 0.020 . 1 . . . A 126 ALA HA . 19773 1 259 . 1 1 57 57 ALA CA C 13 52.755 0.3 . 1 . . . A 126 ALA CA . 19773 1 260 . 1 1 57 57 ALA CB C 13 18.695 0.3 . 1 . . . A 126 ALA CB . 19773 1 261 . 1 1 57 57 ALA N N 15 124.858 0.3 . 1 . . . A 126 ALA N . 19773 1 262 . 1 1 58 58 SER H H 1 8.398 0.020 . 1 . . . A 127 SER H . 19773 1 263 . 1 1 58 58 SER HA H 1 4.296 0.020 . 1 . . . A 127 SER HA . 19773 1 264 . 1 1 58 58 SER CA C 13 58.476 0.3 . 1 . . . A 127 SER CA . 19773 1 265 . 1 1 58 58 SER CB C 13 63.408 0.3 . 1 . . . A 127 SER CB . 19773 1 266 . 1 1 58 58 SER N N 15 114.781 0.3 . 1 . . . A 127 SER N . 19773 1 267 . 1 1 59 59 ALA H H 1 8.261 0.020 . 1 . . . A 128 ALA H . 19773 1 268 . 1 1 59 59 ALA HA H 1 4.286 0.020 . 1 . . . A 128 ALA HA . 19773 1 269 . 1 1 59 59 ALA CA C 13 52.412 0.3 . 1 . . . A 128 ALA CA . 19773 1 270 . 1 1 59 59 ALA CB C 13 19.000 0.3 . 1 . . . A 128 ALA CB . 19773 1 271 . 1 1 59 59 ALA N N 15 125.639 0.3 . 1 . . . A 128 ALA N . 19773 1 272 . 1 1 60 60 THR H H 1 8.196 0.020 . 1 . . . A 129 THR H . 19773 1 273 . 1 1 60 60 THR HA H 1 4.223 0.020 . 1 . . . A 129 THR HA . 19773 1 274 . 1 1 60 60 THR CA C 13 61.793 0.3 . 1 . . . A 129 THR CA . 19773 1 275 . 1 1 60 60 THR CB C 13 69.378 0.3 . 1 . . . A 129 THR CB . 19773 1 276 . 1 1 60 60 THR N N 15 113.687 0.3 . 1 . . . A 129 THR N . 19773 1 277 . 1 1 61 61 ARG H H 1 8.450 0.020 . 1 . . . A 130 ARG H . 19773 1 278 . 1 1 61 61 ARG HA H 1 4.373 0.020 . 1 . . . A 130 ARG HA . 19773 1 279 . 1 1 61 61 ARG CA C 13 55.568 0.3 . 1 . . . A 130 ARG CA . 19773 1 280 . 1 1 61 61 ARG CB C 13 30.647 0.3 . 1 . . . A 130 ARG CB . 19773 1 281 . 1 1 61 61 ARG N N 15 124.467 0.3 . 1 . . . A 130 ARG N . 19773 1 282 . 1 1 62 62 SER H H 1 8.170 0.020 . 1 . . . A 131 SER H . 19773 1 283 . 1 1 62 62 SER CA C 13 59.610 0.3 . 1 . . . A 131 SER CA . 19773 1 284 . 1 1 62 62 SER CB C 13 64.344 0.3 . 1 . . . A 131 SER CB . 19773 1 285 . 1 1 62 62 SER N N 15 123.296 0.3 . 1 . . . A 131 SER N . 19773 1 stop_ save_