################################### # 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 16893 _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' . . . 16893 1 2 '3D HNCO' . . . 16893 1 3 '3D HNCA' . . . 16893 1 4 '3D HNCACB' . . . 16893 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 $CARA . . 16893 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 5 5 ASP H H 1 8.169 0.020 . 1 . . . . 14 ASP H . 16893 1 2 . 1 1 5 5 ASP C C 13 175.966 0.3 . 1 . . . . 14 ASP C . 16893 1 3 . 1 1 5 5 ASP CA C 13 53.949 0.3 . 1 . . . . 14 ASP CA . 16893 1 4 . 1 1 5 5 ASP CB C 13 40.823 0.3 . 1 . . . . 14 ASP CB . 16893 1 5 . 1 1 5 5 ASP N N 15 122.094 0.3 . 1 . . . . 14 ASP N . 16893 1 6 . 1 1 6 6 SER H H 1 8.097 0.020 . 1 . . . . 15 SER H . 16893 1 7 . 1 1 6 6 SER CA C 13 58.419 0.3 . 1 . . . . 15 SER CA . 16893 1 8 . 1 1 6 6 SER CB C 13 62.947 0.3 . 1 . . . . 15 SER CB . 16893 1 9 . 1 1 6 6 SER N N 15 116.621 0.3 . 1 . . . . 15 SER N . 16893 1 10 . 1 1 7 7 ALA H H 1 8.109 0.020 . 1 . . . . 16 ALA H . 16893 1 11 . 1 1 7 7 ALA C C 13 177.455 0.3 . 1 . . . . 16 ALA C . 16893 1 12 . 1 1 7 7 ALA CA C 13 52.378 0.3 . 1 . . . . 16 ALA CA . 16893 1 13 . 1 1 7 7 ALA CB C 13 18.366 0.3 . 1 . . . . 16 ALA CB . 16893 1 14 . 1 1 7 7 ALA N N 15 125.501 0.3 . 1 . . . . 16 ALA N . 16893 1 15 . 1 1 8 8 SER H H 1 7.902 0.020 . 1 . . . . 17 SER H . 16893 1 16 . 1 1 8 8 SER C C 13 173.919 0.3 . 1 . . . . 17 SER C . 16893 1 17 . 1 1 8 8 SER CA C 13 58.103 0.3 . 1 . . . . 17 SER CA . 16893 1 18 . 1 1 8 8 SER CB C 13 62.939 0.3 . 1 . . . . 17 SER CB . 16893 1 19 . 1 1 8 8 SER N N 15 114.23 0.3 . 1 . . . . 17 SER N . 16893 1 20 . 1 1 9 9 ARG H H 1 7.931 0.020 . 1 . . . . 18 ARG H . 16893 1 21 . 1 1 9 9 ARG C C 13 175.383 0.3 . 1 . . . . 18 ARG C . 16893 1 22 . 1 1 9 9 ARG CA C 13 55.461 0.3 . 1 . . . . 18 ARG CA . 16893 1 23 . 1 1 9 9 ARG CB C 13 30.261 0.3 . 1 . . . . 18 ARG CB . 16893 1 24 . 1 1 9 9 ARG N N 15 122.544 0.3 . 1 . . . . 18 ARG N . 16893 1 25 . 1 1 10 10 ILE H H 1 7.865 0.020 . 1 . . . . 19 ILE H . 16893 1 26 . 1 1 10 10 ILE C C 13 175.203 0.3 . 1 . . . . 19 ILE C . 16893 1 27 . 1 1 10 10 ILE CA C 13 60.211 0.3 . 1 . . . . 19 ILE CA . 16893 1 28 . 1 1 10 10 ILE CB C 13 37.821 0.3 . 1 . . . . 19 ILE CB . 16893 1 29 . 1 1 10 10 ILE N N 15 121.495 0.3 . 1 . . . . 19 ILE N . 16893 1 30 . 1 1 11 11 SER H H 1 8.133 0.020 . 1 . . . . 20 SER H . 16893 1 31 . 1 1 11 11 SER CA C 13 55.517 0.3 . 1 . . . . 20 SER CA . 16893 1 32 . 1 1 11 11 SER CB C 13 62.824 0.3 . 1 . . . . 20 SER CB . 16893 1 33 . 1 1 11 11 SER N N 15 121.209 0.3 . 1 . . . . 20 SER N . 16893 1 34 . 1 1 12 12 PRO C C 13 176.931 0.3 . 1 . . . . 21 PRO C . 16893 1 35 . 1 1 12 12 PRO CA C 13 63.288 0.3 . 1 . . . . 21 PRO CA . 16893 1 36 . 1 1 12 12 PRO CB C 13 30.929 0.3 . 1 . . . . 21 PRO CB . 16893 1 37 . 1 1 13 13 GLY H H 1 8.218 0.020 . 1 . . . . 22 GLY H . 16893 1 38 . 1 1 13 13 GLY C C 13 173.612 0.3 . 1 . . . . 22 GLY C . 16893 1 39 . 1 1 13 13 GLY CA C 13 44.599 0.3 . 1 . . . . 22 GLY CA . 16893 1 40 . 1 1 13 13 GLY N N 15 108.47 0.3 . 1 . . . . 22 GLY N . 16893 1 41 . 1 1 14 14 GLN H H 1 7.857 0.020 . 1 . . . . 23 GLN H . 16893 1 42 . 1 1 14 14 GLN C C 13 175.587 0.3 . 1 . . . . 23 GLN C . 16893 1 43 . 1 1 14 14 GLN CA C 13 55.414 0.3 . 1 . . . . 23 GLN CA . 16893 1 44 . 1 1 14 14 GLN CB C 13 29.039 0.3 . 1 . . . . 23 GLN CB . 16893 1 45 . 1 1 14 14 GLN N N 15 119.811 0.3 . 1 . . . . 23 GLN N . 16893 1 46 . 1 1 15 15 ILE H H 1 7.973 0.020 . 1 . . . . 24 ILE H . 16893 1 47 . 1 1 15 15 ILE C C 13 175.128 0.3 . 1 . . . . 24 ILE C . 16893 1 48 . 1 1 15 15 ILE CA C 13 60.632 0.3 . 1 . . . . 24 ILE CA . 16893 1 49 . 1 1 15 15 ILE CB C 13 38.233 0.3 . 1 . . . . 24 ILE CB . 16893 1 50 . 1 1 15 15 ILE N N 15 120.837 0.3 . 1 . . . . 24 ILE N . 16893 1 51 . 1 1 16 16 ASN H H 1 8.234 0.020 . 1 . . . . 25 ASN H . 16893 1 52 . 1 1 16 16 ASN C C 13 174.27 0.3 . 1 . . . . 25 ASN C . 16893 1 53 . 1 1 16 16 ASN CA C 13 52.947 0.3 . 1 . . . . 25 ASN CA . 16893 1 54 . 1 1 16 16 ASN CB C 13 38.488 0.3 . 1 . . . . 25 ASN CB . 16893 1 55 . 1 1 16 16 ASN N N 15 121.578 0.3 . 1 . . . . 25 ASN N . 16893 1 56 . 1 1 17 17 GLN H H 1 8.091 0.020 . 1 . . . . 26 GLN H . 16893 1 57 . 1 1 17 17 GLN C C 13 174.709 0.3 . 1 . . . . 26 GLN C . 16893 1 58 . 1 1 17 17 GLN CA C 13 55.026 0.3 . 1 . . . . 26 GLN CA . 16893 1 59 . 1 1 17 17 GLN CB C 13 31.151 0.3 . 1 . . . . 26 GLN CB . 16893 1 60 . 1 1 17 17 GLN N N 15 119.561 0.3 . 1 . . . . 26 GLN N . 16893 1 61 . 1 1 18 18 VAL H H 1 9.282 0.020 . 1 . . . . 27 VAL H . 16893 1 62 . 1 1 18 18 VAL C C 13 173.216 0.3 . 1 . . . . 27 VAL C . 16893 1 63 . 1 1 18 18 VAL CA C 13 58.503 0.3 . 1 . . . . 27 VAL CA . 16893 1 64 . 1 1 18 18 VAL CB C 13 34.628 0.3 . 1 . . . . 27 VAL CB . 16893 1 65 . 1 1 18 18 VAL N N 15 115.167 0.3 . 1 . . . . 27 VAL N . 16893 1 66 . 1 1 19 19 ARG H H 1 8.733 0.020 . 1 . . . . 28 ARG H . 16893 1 67 . 1 1 19 19 ARG CA C 13 51.909 0.3 . 1 . . . . 28 ARG CA . 16893 1 68 . 1 1 19 19 ARG CB C 13 32.307 0.3 . 1 . . . . 28 ARG CB . 16893 1 69 . 1 1 19 19 ARG N N 15 122.603 0.3 . 1 . . . . 28 ARG N . 16893 1 70 . 1 1 20 20 PRO C C 13 175.777 0.3 . 1 . . . . 29 PRO C . 16893 1 71 . 1 1 20 20 PRO CA C 13 61.391 0.3 . 1 . . . . 29 PRO CA . 16893 1 72 . 1 1 20 20 PRO CB C 13 31.87 0.3 . 1 . . . . 29 PRO CB . 16893 1 73 . 1 1 21 21 LYS H H 1 8.249 0.020 . 1 . . . . 30 LYS H . 16893 1 74 . 1 1 21 21 LYS C C 13 176.786 0.3 . 1 . . . . 30 LYS C . 16893 1 75 . 1 1 21 21 LYS CA C 13 56.542 0.3 . 1 . . . . 30 LYS CA . 16893 1 76 . 1 1 21 21 LYS CB C 13 33.529 0.3 . 1 . . . . 30 LYS CB . 16893 1 77 . 1 1 21 21 LYS N N 15 121.241 0.3 . 1 . . . . 30 LYS N . 16893 1 78 . 1 1 22 22 LEU H H 1 8.454 0.020 . 1 . . . . 31 LEU H . 16893 1 79 . 1 1 22 22 LEU CA C 13 59.351 0.3 . 1 . . . . 31 LEU CA . 16893 1 80 . 1 1 22 22 LEU CB C 13 39.044 0.3 . 1 . . . . 31 LEU CB . 16893 1 81 . 1 1 22 22 LEU N N 15 122.106 0.3 . 1 . . . . 31 LEU N . 16893 1 82 . 1 1 23 23 PRO C C 13 177.612 0.3 . 1 . . . . 32 PRO C . 16893 1 83 . 1 1 24 24 LEU H H 1 6.475 0.020 . 1 . . . . 33 LEU H . 16893 1 84 . 1 1 24 24 LEU C C 13 177.088 0.3 . 1 . . . . 33 LEU C . 16893 1 85 . 1 1 24 24 LEU CA C 13 55.367 0.3 . 1 . . . . 33 LEU CA . 16893 1 86 . 1 1 24 24 LEU CB C 13 40.686 0.3 . 1 . . . . 33 LEU CB . 16893 1 87 . 1 1 24 24 LEU N N 15 113.758 0.3 . 1 . . . . 33 LEU N . 16893 1 88 . 1 1 25 25 LEU H H 1 8.258 0.020 . 1 . . . . 34 LEU H . 16893 1 89 . 1 1 25 25 LEU C C 13 176.936 0.3 . 1 . . . . 34 LEU C . 16893 1 90 . 1 1 25 25 LEU CA C 13 57.359 0.3 . 1 . . . . 34 LEU CA . 16893 1 91 . 1 1 25 25 LEU CB C 13 40.823 0.3 . 1 . . . . 34 LEU CB . 16893 1 92 . 1 1 25 25 LEU N N 15 122.267 0.3 . 1 . . . . 34 LEU N . 16893 1 93 . 1 1 26 26 LYS H H 1 7.898 0.020 . 1 . . . . 35 LYS H . 16893 1 94 . 1 1 26 26 LYS C C 13 179.643 0.3 . 1 . . . . 35 LYS C . 16893 1 95 . 1 1 26 26 LYS CA C 13 59.244 0.3 . 1 . . . . 35 LYS CA . 16893 1 96 . 1 1 26 26 LYS CB C 13 31.291 0.3 . 1 . . . . 35 LYS CB . 16893 1 97 . 1 1 26 26 LYS N N 15 115.766 0.3 . 1 . . . . 35 LYS N . 16893 1 98 . 1 1 27 27 ILE H H 1 6.626 0.020 . 1 . . . . 36 ILE H . 16893 1 99 . 1 1 27 27 ILE C C 13 175.845 0.3 . 1 . . . . 36 ILE C . 16893 1 100 . 1 1 27 27 ILE CA C 13 63.541 0.3 . 1 . . . . 36 ILE CA . 16893 1 101 . 1 1 27 27 ILE CB C 13 36.492 0.3 . 1 . . . . 36 ILE CB . 16893 1 102 . 1 1 27 27 ILE N N 15 120.681 0.3 . 1 . . . . 36 ILE N . 16893 1 103 . 1 1 28 28 LEU H H 1 7.537 0.020 . 1 . . . . 37 LEU H . 16893 1 104 . 1 1 28 28 LEU C C 13 179.574 0.3 . 1 . . . . 37 LEU C . 16893 1 105 . 1 1 28 28 LEU CA C 13 57.014 0.3 . 1 . . . . 37 LEU CA . 16893 1 106 . 1 1 28 28 LEU CB C 13 38.505 0.3 . 1 . . . . 37 LEU CB . 16893 1 107 . 1 1 28 28 LEU N N 15 117.534 0.3 . 1 . . . . 37 LEU N . 16893 1 108 . 1 1 29 29 HIS H H 1 8.843 0.020 . 1 . . . . 38 HIS H . 16893 1 109 . 1 1 29 29 HIS C C 13 179.278 0.3 . 1 . . . . 38 HIS C . 16893 1 110 . 1 1 29 29 HIS CA C 13 56.552 0.3 . 1 . . . . 38 HIS CA . 16893 1 111 . 1 1 29 29 HIS CB C 13 29.483 0.3 . 1 . . . . 38 HIS CB . 16893 1 112 . 1 1 29 29 HIS N N 15 118.315 0.3 . 1 . . . . 38 HIS N . 16893 1 113 . 1 1 30 30 ALA H H 1 7.848 0.020 . 1 . . . . 39 ALA H . 16893 1 114 . 1 1 30 30 ALA C C 13 178.046 0.3 . 1 . . . . 39 ALA C . 16893 1 115 . 1 1 30 30 ALA CA C 13 54.228 0.3 . 1 . . . . 39 ALA CA . 16893 1 116 . 1 1 30 30 ALA CB C 13 16.92 0.3 . 1 . . . . 39 ALA CB . 16893 1 117 . 1 1 30 30 ALA N N 15 124.613 0.3 . 1 . . . . 39 ALA N . 16893 1 118 . 1 1 31 31 ALA H H 1 7.514 0.020 . 1 . . . . 40 ALA H . 16893 1 119 . 1 1 31 31 ALA C C 13 175.571 0.3 . 1 . . . . 40 ALA C . 16893 1 120 . 1 1 31 31 ALA CA C 13 51.192 0.3 . 1 . . . . 40 ALA CA . 16893 1 121 . 1 1 31 31 ALA CB C 13 20.256 0.3 . 1 . . . . 40 ALA CB . 16893 1 122 . 1 1 31 31 ALA N N 15 118.671 0.3 . 1 . . . . 40 ALA N . 16893 1 123 . 1 1 32 32 GLY H H 1 7.545 0.020 . 1 . . . . 41 GLY H . 16893 1 124 . 1 1 32 32 GLY C C 13 173.829 0.3 . 1 . . . . 41 GLY C . 16893 1 125 . 1 1 32 32 GLY CA C 13 44.059 0.3 . 1 . . . . 41 GLY CA . 16893 1 126 . 1 1 32 32 GLY N N 15 104.531 0.3 . 1 . . . . 41 GLY N . 16893 1 127 . 1 1 33 33 ALA H H 1 7.45 0.020 . 1 . . . . 42 ALA H . 16893 1 128 . 1 1 33 33 ALA C C 13 175.399 0.3 . 1 . . . . 42 ALA C . 16893 1 129 . 1 1 33 33 ALA CA C 13 51.856 0.3 . 1 . . . . 42 ALA CA . 16893 1 130 . 1 1 33 33 ALA CB C 13 18.699 0.3 . 1 . . . . 42 ALA CB . 16893 1 131 . 1 1 33 33 ALA N N 15 124.155 0.3 . 1 . . . . 42 ALA N . 16893 1 132 . 1 1 34 34 GLN H H 1 8.427 0.020 . 1 . . . . 43 GLN H . 16893 1 133 . 1 1 34 34 GLN C C 13 174.913 0.3 . 1 . . . . 43 GLN C . 16893 1 134 . 1 1 34 34 GLN CA C 13 53.754 0.3 . 1 . . . . 43 GLN CA . 16893 1 135 . 1 1 34 34 GLN CB C 13 31.484 0.3 . 1 . . . . 43 GLN CB . 16893 1 136 . 1 1 34 34 GLN N N 15 118.232 0.3 . 1 . . . . 43 GLN N . 16893 1 137 . 1 1 35 35 GLY H H 1 8.413 0.020 . 1 . . . . 44 GLY H . 16893 1 138 . 1 1 35 35 GLY C C 13 173.552 0.3 . 1 . . . . 44 GLY C . 16893 1 139 . 1 1 35 35 GLY CA C 13 43.756 0.3 . 1 . . . . 44 GLY CA . 16893 1 140 . 1 1 35 35 GLY N N 15 108.728 0.3 . 1 . . . . 44 GLY N . 16893 1 141 . 1 1 36 36 GLU H H 1 8.16 0.020 . 1 . . . . 45 GLU H . 16893 1 142 . 1 1 36 36 GLU C C 13 173.52 0.3 . 1 . . . . 45 GLU C . 16893 1 143 . 1 1 36 36 GLU CA C 13 55.983 0.3 . 1 . . . . 45 GLU CA . 16893 1 144 . 1 1 36 36 GLU CB C 13 32.263 0.3 . 1 . . . . 45 GLU CB . 16893 1 145 . 1 1 36 36 GLU N N 15 115.178 0.3 . 1 . . . . 45 GLU N . 16893 1 146 . 1 1 37 37 MET H H 1 6.721 0.020 . 1 . . . . 46 MET H . 16893 1 147 . 1 1 37 37 MET C C 13 174.037 0.3 . 1 . . . . 46 MET C . 16893 1 148 . 1 1 37 37 MET CA C 13 53.326 0.3 . 1 . . . . 46 MET CA . 16893 1 149 . 1 1 37 37 MET CB C 13 34.82 0.3 . 1 . . . . 46 MET CB . 16893 1 150 . 1 1 37 37 MET N N 15 116.107 0.3 . 1 . . . . 46 MET N . 16893 1 151 . 1 1 38 38 PHE H H 1 8.465 0.020 . 1 . . . . 47 PHE H . 16893 1 152 . 1 1 38 38 PHE C C 13 175.152 0.3 . 1 . . . . 47 PHE C . 16893 1 153 . 1 1 38 38 PHE CA C 13 56.471 0.3 . 1 . . . . 47 PHE CA . 16893 1 154 . 1 1 38 38 PHE CB C 13 46.048 0.3 . 1 . . . . 47 PHE CB . 16893 1 155 . 1 1 38 38 PHE N N 15 119.307 0.3 . 1 . . . . 47 PHE N . 16893 1 156 . 1 1 39 39 THR H H 1 9.085 0.020 . 1 . . . . 48 THR H . 16893 1 157 . 1 1 39 39 THR C C 13 175.908 0.3 . 1 . . . . 48 THR C . 16893 1 158 . 1 1 39 39 THR CA C 13 60.254 0.3 . 1 . . . . 48 THR CA . 16893 1 159 . 1 1 39 39 THR CB C 13 70.132 0.3 . 1 . . . . 48 THR CB . 16893 1 160 . 1 1 39 39 THR N N 15 111.829 0.3 . 1 . . . . 48 THR N . 16893 1 161 . 1 1 40 40 VAL H H 1 8.953 0.020 . 1 . . . . 49 VAL H . 16893 1 162 . 1 1 40 40 VAL C C 13 177.094 0.3 . 1 . . . . 49 VAL C . 16893 1 163 . 1 1 40 40 VAL CA C 13 67.503 0.3 . 1 . . . . 49 VAL CA . 16893 1 164 . 1 1 40 40 VAL CB C 13 30.321 0.3 . 1 . . . . 49 VAL CB . 16893 1 165 . 1 1 40 40 VAL N N 15 122.421 0.3 . 1 . . . . 49 VAL N . 16893 1 166 . 1 1 41 41 LYS H H 1 8.052 0.020 . 1 . . . . 50 LYS H . 16893 1 167 . 1 1 41 41 LYS C C 13 179.409 0.3 . 1 . . . . 50 LYS C . 16893 1 168 . 1 1 41 41 LYS CA C 13 59.464 0.3 . 1 . . . . 50 LYS CA . 16893 1 169 . 1 1 41 41 LYS CB C 13 31.744 0.3 . 1 . . . . 50 LYS CB . 16893 1 170 . 1 1 41 41 LYS N N 15 118.904 0.3 . 1 . . . . 50 LYS N . 16893 1 171 . 1 1 42 42 GLU H H 1 7.79 0.020 . 1 . . . . 51 GLU H . 16893 1 172 . 1 1 42 42 GLU C C 13 178.102 0.3 . 1 . . . . 51 GLU C . 16893 1 173 . 1 1 42 42 GLU CA C 13 58.955 0.3 . 1 . . . . 51 GLU CA . 16893 1 174 . 1 1 42 42 GLU CB C 13 30.595 0.3 . 1 . . . . 51 GLU CB . 16893 1 175 . 1 1 42 42 GLU N N 15 120.402 0.3 . 1 . . . . 51 GLU N . 16893 1 176 . 1 1 43 43 VAL H H 1 8.237 0.020 . 1 . . . . 52 VAL H . 16893 1 177 . 1 1 43 43 VAL C C 13 177.14 0.3 . 1 . . . . 52 VAL C . 16893 1 178 . 1 1 43 43 VAL CA C 13 67.083 0.3 . 1 . . . . 52 VAL CA . 16893 1 179 . 1 1 43 43 VAL CB C 13 30.373 0.3 . 1 . . . . 52 VAL CB . 16893 1 180 . 1 1 43 43 VAL N N 15 119.701 0.3 . 1 . . . . 52 VAL N . 16893 1 181 . 1 1 44 44 MET H H 1 8.128 0.020 . 1 . . . . 53 MET H . 16893 1 182 . 1 1 44 44 MET C C 13 179.194 0.3 . 1 . . . . 53 MET C . 16893 1 183 . 1 1 44 44 MET CA C 13 56.647 0.3 . 1 . . . . 53 MET CA . 16893 1 184 . 1 1 44 44 MET CB C 13 29.087 0.3 . 1 . . . . 53 MET CB . 16893 1 185 . 1 1 44 44 MET N N 15 115.659 0.3 . 1 . . . . 53 MET N . 16893 1 186 . 1 1 45 45 HIS H H 1 8.085 0.020 . 1 . . . . 54 HIS H . 16893 1 187 . 1 1 45 45 HIS C C 13 177.973 0.3 . 1 . . . . 54 HIS C . 16893 1 188 . 1 1 45 45 HIS CA C 13 59.304 0.3 . 1 . . . . 54 HIS CA . 16893 1 189 . 1 1 45 45 HIS N N 15 121.751 0.3 . 1 . . . . 54 HIS N . 16893 1 190 . 1 1 46 46 TYR H H 1 8.479 0.020 . 1 . . . . 55 TYR H . 16893 1 191 . 1 1 46 46 TYR CA C 13 62.946 0.3 . 1 . . . . 55 TYR CA . 16893 1 192 . 1 1 46 46 TYR CB C 13 38.155 0.3 . 1 . . . . 55 TYR CB . 16893 1 193 . 1 1 46 46 TYR N N 15 118.412 0.3 . 1 . . . . 55 TYR N . 16893 1 194 . 1 1 47 47 LEU C C 13 178.116 0.3 . 1 . . . . 56 LEU C . 16893 1 195 . 1 1 47 47 LEU CA C 13 57.643 0.3 . 1 . . . . 56 LEU CA . 16893 1 196 . 1 1 48 48 GLY H H 1 7.663 0.020 . 1 . . . . 57 GLY H . 16893 1 197 . 1 1 48 48 GLY C C 13 176.421 0.3 . 1 . . . . 57 GLY C . 16893 1 198 . 1 1 48 48 GLY CA C 13 46.654 0.3 . 1 . . . . 57 GLY CA . 16893 1 199 . 1 1 48 48 GLY N N 15 105.294 0.3 . 1 . . . . 57 GLY N . 16893 1 200 . 1 1 49 49 GLN H H 1 7.775 0.020 . 1 . . . . 58 GLN H . 16893 1 201 . 1 1 49 49 GLN C C 13 177.542 0.3 . 1 . . . . 58 GLN C . 16893 1 202 . 1 1 49 49 GLN CA C 13 57.738 0.3 . 1 . . . . 58 GLN CA . 16893 1 203 . 1 1 49 49 GLN CB C 13 28.149 0.3 . 1 . . . . 58 GLN CB . 16893 1 204 . 1 1 49 49 GLN N N 15 121.094 0.3 . 1 . . . . 58 GLN N . 16893 1 205 . 1 1 50 50 TYR H H 1 8.486 0.020 . 1 . . . . 59 TYR H . 16893 1 206 . 1 1 50 50 TYR CA C 13 61.77 0.3 . 1 . . . . 59 TYR CA . 16893 1 207 . 1 1 50 50 TYR CB C 13 37.821 0.3 . 1 . . . . 59 TYR CB . 16893 1 208 . 1 1 50 50 TYR N N 15 121.645 0.3 . 1 . . . . 59 TYR N . 16893 1 209 . 1 1 51 51 ILE C C 13 176.594 0.3 . 1 . . . . 60 ILE C . 16893 1 210 . 1 1 51 51 ILE CA C 13 65.138 0.3 . 1 . . . . 60 ILE CA . 16893 1 211 . 1 1 51 51 ILE CB C 13 37.821 0.3 . 1 . . . . 60 ILE CB . 16893 1 212 . 1 1 52 52 MET H H 1 7.609 0.020 . 1 . . . . 61 MET H . 16893 1 213 . 1 1 52 52 MET CA C 13 59.067 0.3 . 1 . . . . 61 MET CA . 16893 1 214 . 1 1 52 52 MET CB C 13 32.707 0.3 . 1 . . . . 61 MET CB . 16893 1 215 . 1 1 52 52 MET N N 15 116.903 0.3 . 1 . . . . 61 MET N . 16893 1 216 . 1 1 53 53 VAL CA C 13 65.328 0.3 . 1 . . . . 62 VAL CA . 16893 1 217 . 1 1 53 53 VAL CB C 13 30.929 0.3 . 1 . . . . 62 VAL CB . 16893 1 218 . 1 1 54 54 LYS C C 13 174.338 0.3 . 1 . . . . 63 LYS C . 16893 1 219 . 1 1 55 55 GLN H H 1 7.522 0.020 . 1 . . . . 64 GLN H . 16893 1 220 . 1 1 55 55 GLN CA C 13 55.983 0.3 . 1 . . . . 64 GLN CA . 16893 1 221 . 1 1 55 55 GLN CB C 13 25.37 0.3 . 1 . . . . 64 GLN CB . 16893 1 222 . 1 1 55 55 GLN N N 15 115.842 0.3 . 1 . . . . 64 GLN N . 16893 1 223 . 1 1 56 56 LEU CA C 13 54.465 0.3 . 1 . . . . 65 LEU CA . 16893 1 224 . 1 1 56 56 LEU CB C 13 41.49 0.3 . 1 . . . . 65 LEU CB . 16893 1 225 . 1 1 57 57 TYR C C 13 175.3 0.3 . 1 . . . . 66 TYR C . 16893 1 226 . 1 1 58 58 ASP H H 1 8.207 0.020 . 1 . . . . 67 ASP H . 16893 1 227 . 1 1 58 58 ASP CA C 13 53.152 0.3 . 1 . . . . 67 ASP CA . 16893 1 228 . 1 1 58 58 ASP N N 15 126.525 0.3 . 1 . . . . 67 ASP N . 16893 1 229 . 1 1 59 59 GLN CA C 13 58.45 0.3 . 1 . . . . 68 GLN CA . 16893 1 230 . 1 1 59 59 GLN CB C 13 27.758 0.3 . 1 . . . . 68 GLN CB . 16893 1 231 . 1 1 60 60 GLN CA C 13 56.315 0.3 . 1 . . . . 69 GLN CA . 16893 1 232 . 1 1 60 60 GLN CB C 13 29.087 0.3 . 1 . . . . 69 GLN CB . 16893 1 233 . 1 1 61 61 GLU C C 13 175.243 0.3 . 1 . . . . 70 GLU C . 16893 1 234 . 1 1 62 62 GLN H H 1 8.065 0.020 . 1 . . . . 71 GLN H . 16893 1 235 . 1 1 62 62 GLN CA C 13 58.023 0.3 . 1 . . . . 71 GLN CA . 16893 1 236 . 1 1 62 62 GLN N N 15 119.799 0.3 . 1 . . . . 71 GLN N . 16893 1 237 . 1 1 63 63 HIS CA C 13 54.987 0.3 . 1 . . . . 72 HIS CA . 16893 1 238 . 1 1 63 63 HIS CB C 13 30.817 0.3 . 1 . . . . 72 HIS CB . 16893 1 239 . 1 1 64 64 MET CA C 13 52.163 0.3 . 1 . . . . 73 MET CA . 16893 1 240 . 1 1 64 64 MET CB C 13 30.15 0.3 . 1 . . . . 73 MET CB . 16893 1 241 . 1 1 65 65 VAL CA C 13 60.679 0.3 . 1 . . . . 74 VAL CA . 16893 1 242 . 1 1 65 65 VAL CB C 13 31.484 0.3 . 1 . . . . 74 VAL CB . 16893 1 243 . 1 1 66 66 TYR C C 13 176.126 0.3 . 1 . . . . 75 TYR C . 16893 1 244 . 1 1 66 66 TYR CA C 13 57.406 0.3 . 1 . . . . 75 TYR CA . 16893 1 245 . 1 1 67 67 CYS H H 1 8.184 0.020 . 1 . . . . 76 CYS H . 16893 1 246 . 1 1 67 67 CYS CA C 13 56.322 0.3 . 1 . . . . 76 CYS CA . 16893 1 247 . 1 1 67 67 CYS CB C 13 29.261 0.3 . 1 . . . . 76 CYS CB . 16893 1 248 . 1 1 67 67 CYS N N 15 117.1 0.3 . 1 . . . . 76 CYS N . 16893 1 249 . 1 1 68 68 GLY CA C 13 46.354 0.3 . 1 . . . . 77 GLY CA . 16893 1 250 . 1 1 69 69 GLY C C 13 172.332 0.3 . 1 . . . . 78 GLY C . 16893 1 251 . 1 1 69 69 GLY CA C 13 44.883 0.3 . 1 . . . . 78 GLY CA . 16893 1 252 . 1 1 70 70 ASP H H 1 7.627 0.020 . 1 . . . . 79 ASP H . 16893 1 253 . 1 1 70 70 ASP CA C 13 52.426 0.3 . 1 . . . . 79 ASP CA . 16893 1 254 . 1 1 70 70 ASP CB C 13 46.16 0.3 . 1 . . . . 79 ASP CB . 16893 1 255 . 1 1 70 70 ASP N N 15 120.272 0.3 . 1 . . . . 79 ASP N . 16893 1 256 . 1 1 71 71 LEU C C 13 178.501 0.3 . 1 . . . . 80 LEU C . 16893 1 257 . 1 1 71 71 LEU CA C 13 57.691 0.3 . 1 . . . . 80 LEU CA . 16893 1 258 . 1 1 71 71 LEU CB C 13 41.824 0.3 . 1 . . . . 80 LEU CB . 16893 1 259 . 1 1 72 72 LEU H H 1 9.802 0.020 . 1 . . . . 81 LEU H . 16893 1 260 . 1 1 72 72 LEU CA C 13 57.691 0.3 . 1 . . . . 81 LEU CA . 16893 1 261 . 1 1 72 72 LEU CB C 13 41.713 0.3 . 1 . . . . 81 LEU CB . 16893 1 262 . 1 1 72 72 LEU N N 15 119.118 0.3 . 1 . . . . 81 LEU N . 16893 1 263 . 1 1 73 73 GLY C C 13 176.213 0.3 . 1 . . . . 82 GLY C . 16893 1 264 . 1 1 73 73 GLY CA C 13 47.169 0.3 . 1 . . . . 82 GLY CA . 16893 1 265 . 1 1 74 74 GLU H H 1 7.385 0.020 . 1 . . . . 83 GLU H . 16893 1 266 . 1 1 74 74 GLU C C 13 178.517 0.3 . 1 . . . . 83 GLU C . 16893 1 267 . 1 1 74 74 GLU CA C 13 58.121 0.3 . 1 . . . . 83 GLU CA . 16893 1 268 . 1 1 74 74 GLU CB C 13 28.816 0.3 . 1 . . . . 83 GLU CB . 16893 1 269 . 1 1 74 74 GLU N N 15 122.219 0.3 . 1 . . . . 83 GLU N . 16893 1 270 . 1 1 75 75 LEU H H 1 7.618 0.020 . 1 . . . . 84 LEU H . 16893 1 271 . 1 1 75 75 LEU C C 13 178.366 0.3 . 1 . . . . 84 LEU C . 16893 1 272 . 1 1 75 75 LEU CA C 13 56.505 0.3 . 1 . . . . 84 LEU CA . 16893 1 273 . 1 1 75 75 LEU CB C 13 41.601 0.3 . 1 . . . . 84 LEU CB . 16893 1 274 . 1 1 75 75 LEU N N 15 119.012 0.3 . 1 . . . . 84 LEU N . 16893 1 275 . 1 1 76 76 LEU H H 1 7.936 0.020 . 1 . . . . 85 LEU H . 16893 1 276 . 1 1 76 76 LEU C C 13 177.262 0.3 . 1 . . . . 85 LEU C . 16893 1 277 . 1 1 76 76 LEU CA C 13 55.215 0.3 . 1 . . . . 85 LEU CA . 16893 1 278 . 1 1 76 76 LEU CB C 13 43.158 0.3 . 1 . . . . 85 LEU CB . 16893 1 279 . 1 1 76 76 LEU N N 15 115.766 0.3 . 1 . . . . 85 LEU N . 16893 1 280 . 1 1 77 77 GLY H H 1 7.85 0.020 . 1 . . . . 86 GLY H . 16893 1 281 . 1 1 77 77 GLY CA C 13 45.547 0.3 . 1 . . . . 86 GLY CA . 16893 1 282 . 1 1 77 77 GLY N N 15 108.32 0.3 . 1 . . . . 86 GLY N . 16893 1 283 . 1 1 86 86 PRO C C 13 176.637 0.3 . 1 . . . . 95 PRO C . 16893 1 284 . 1 1 86 86 PRO CA C 13 62.599 0.3 . 1 . . . . 95 PRO CA . 16893 1 285 . 1 1 86 86 PRO CB C 13 31.151 0.3 . 1 . . . . 95 PRO CB . 16893 1 286 . 1 1 87 87 SER H H 1 8.037 0.020 . 1 . . . . 96 SER H . 16893 1 287 . 1 1 87 87 SER CA C 13 63.472 0.3 . 1 . . . . 96 SER CA . 16893 1 288 . 1 1 87 87 SER CB C 13 60.946 0.3 . 1 . . . . 96 SER CB . 16893 1 289 . 1 1 87 87 SER N N 15 119.273 0.3 . 1 . . . . 96 SER N . 16893 1 290 . 1 1 88 88 PRO C C 13 177.876 0.3 . 1 . . . . 97 PRO C . 16893 1 291 . 1 1 88 88 PRO CA C 13 64.845 0.3 . 1 . . . . 97 PRO CA . 16893 1 292 . 1 1 89 89 LEU H H 1 7.1 0.020 . 1 . . . . 98 LEU H . 16893 1 293 . 1 1 89 89 LEU C C 13 177.648 0.3 . 1 . . . . 98 LEU C . 16893 1 294 . 1 1 89 89 LEU CA C 13 56.695 0.3 . 1 . . . . 98 LEU CA . 16893 1 295 . 1 1 89 89 LEU CB C 13 40.823 0.3 . 1 . . . . 98 LEU CB . 16893 1 296 . 1 1 89 89 LEU N N 15 115.579 0.3 . 1 . . . . 98 LEU N . 16893 1 297 . 1 1 90 90 TYR H H 1 7.442 0.020 . 1 . . . . 99 TYR H . 16893 1 298 . 1 1 90 90 TYR C C 13 177.974 0.3 . 1 . . . . 99 TYR C . 16893 1 299 . 1 1 90 90 TYR CA C 13 60.822 0.3 . 1 . . . . 99 TYR CA . 16893 1 300 . 1 1 90 90 TYR CB C 13 36.703 0.3 . 1 . . . . 99 TYR CB . 16893 1 301 . 1 1 90 90 TYR N N 15 118.938 0.3 . 1 . . . . 99 TYR N . 16893 1 302 . 1 1 91 91 ASP H H 1 8.097 0.020 . 1 . . . . 100 ASP H . 16893 1 303 . 1 1 91 91 ASP C C 13 177.355 0.3 . 1 . . . . 100 ASP C . 16893 1 304 . 1 1 91 91 ASP CA C 13 56.857 0.3 . 1 . . . . 100 ASP CA . 16893 1 305 . 1 1 91 91 ASP CB C 13 40.267 0.3 . 1 . . . . 100 ASP CB . 16893 1 306 . 1 1 91 91 ASP N N 15 119.977 0.3 . 1 . . . . 100 ASP N . 16893 1 307 . 1 1 92 92 MET H H 1 7.209 0.020 . 1 . . . . 101 MET H . 16893 1 308 . 1 1 92 92 MET C C 13 178.953 0.3 . 1 . . . . 101 MET C . 16893 1 309 . 1 1 92 92 MET CA C 13 58.231 0.3 . 1 . . . . 101 MET CA . 16893 1 310 . 1 1 92 92 MET CB C 13 30.484 0.3 . 1 . . . . 101 MET CB . 16893 1 311 . 1 1 92 92 MET N N 15 119.08 0.3 . 1 . . . . 101 MET N . 16893 1 312 . 1 1 93 93 LEU H H 1 8.198 0.020 . 1 . . . . 102 LEU H . 16893 1 313 . 1 1 93 93 LEU C C 13 178.105 0.3 . 1 . . . . 102 LEU C . 16893 1 314 . 1 1 93 93 LEU CA C 13 58.023 0.3 . 1 . . . . 102 LEU CA . 16893 1 315 . 1 1 93 93 LEU CB C 13 40.712 0.3 . 1 . . . . 102 LEU CB . 16893 1 316 . 1 1 93 93 LEU N N 15 122.464 0.3 . 1 . . . . 102 LEU N . 16893 1 317 . 1 1 94 94 ARG H H 1 7.783 0.020 . 1 . . . . 103 ARG H . 16893 1 318 . 1 1 94 94 ARG C C 13 178.04 0.3 . 1 . . . . 103 ARG C . 16893 1 319 . 1 1 94 94 ARG N N 15 117.29 0.3 . 1 . . . . 103 ARG N . 16893 1 320 . 1 1 95 95 LYS H H 1 7.065 0.020 . 1 . . . . 104 LYS H . 16893 1 321 . 1 1 95 95 LYS C C 13 175.44 0.3 . 1 . . . . 104 LYS C . 16893 1 322 . 1 1 95 95 LYS CA C 13 56.736 0.3 . 1 . . . . 104 LYS CA . 16893 1 323 . 1 1 95 95 LYS N N 15 115.012 0.3 . 1 . . . . 104 LYS N . 16893 1 324 . 1 1 96 96 ASN H H 1 7.609 0.020 . 1 . . . . 105 ASN H . 16893 1 325 . 1 1 96 96 ASN C C 13 172.157 0.3 . 1 . . . . 105 ASN C . 16893 1 326 . 1 1 96 96 ASN CA C 13 53.773 0.3 . 1 . . . . 105 ASN CA . 16893 1 327 . 1 1 96 96 ASN CB C 13 41.045 0.3 . 1 . . . . 105 ASN CB . 16893 1 328 . 1 1 96 96 ASN N N 15 116.842 0.3 . 1 . . . . 105 ASN N . 16893 1 329 . 1 1 97 97 LEU H H 1 7.42 0.020 . 1 . . . . 106 LEU H . 16893 1 330 . 1 1 97 97 LEU CA C 13 53.69 0.3 . 1 . . . . 106 LEU CA . 16893 1 331 . 1 1 97 97 LEU CB C 13 42.491 0.3 . 1 . . . . 106 LEU CB . 16893 1 332 . 1 1 97 97 LEU N N 15 119.049 0.3 . 1 . . . . 106 LEU N . 16893 1 333 . 1 1 99 99 THR C C 13 173.533 0.3 . 1 . . . . 108 THR C . 16893 1 334 . 1 1 99 99 THR CA C 13 61.554 0.3 . 1 . . . . 108 THR CA . 16893 1 335 . 1 1 99 99 THR CB C 13 69.174 0.3 . 1 . . . . 108 THR CB . 16893 1 336 . 1 1 100 100 LEU H H 1 8.186 0.020 . 1 . . . . 109 LEU H . 16893 1 337 . 1 1 100 100 LEU CA C 13 54.276 0.3 . 1 . . . . 109 LEU CA . 16893 1 338 . 1 1 100 100 LEU CB C 13 41.601 0.3 . 1 . . . . 109 LEU CB . 16893 1 339 . 1 1 100 100 LEU N N 15 126.112 0.3 . 1 . . . . 109 LEU N . 16893 1 340 . 1 1 101 101 ALA H H 1 8.124 0.020 . 1 . . . . 110 ALA H . 16893 1 341 . 1 1 101 101 ALA CA C 13 51.667 0.3 . 1 . . . . 110 ALA CA . 16893 1 342 . 1 1 101 101 ALA CB C 13 18.922 0.3 . 1 . . . . 110 ALA CB . 16893 1 343 . 1 1 101 101 ALA N N 15 125.736 0.3 . 1 . . . . 110 ALA N . 16893 1 344 . 1 1 102 102 THR H H 1 7.539 0.020 . 1 . . . . 111 THR H . 16893 1 345 . 1 1 102 102 THR CA C 13 62.432 0.3 . 1 . . . . 111 THR CA . 16893 1 346 . 1 1 102 102 THR CB C 13 70.285 0.3 . 1 . . . . 111 THR CB . 16893 1 347 . 1 1 102 102 THR N N 15 118.891 0.3 . 1 . . . . 111 THR N . 16893 1 stop_ save_