################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51395 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'pAbp RRM3 backbone' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 2 '3D HNCA' . . . 51395 1 3 '3D HNCACB' . . . 51395 1 4 '3D CBCA(CO)NH' . . . 51395 1 5 '3D HNCO' . . . 51395 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 1 $software_1 . . 51395 1 2 $software_2 . . 51395 1 3 $software_3 . . 51395 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 LYS H H 1 8.346 0.020 . 1 . . . . . 3 LYS H . 51395 1 2 . 1 . 1 1 1 LYS CA C 13 56.585 0.3 . 1 . . . . . 3 LYS CA . 51395 1 3 . 1 . 1 1 1 LYS CB C 13 32.850 0.3 . 1 . . . . . 3 LYS CB . 51395 1 4 . 1 . 1 1 1 LYS N N 15 121.136 0.3 . 1 . . . . . 3 LYS N . 51395 1 5 . 1 . 1 2 2 ASN H H 1 8.629 0.020 . 1 . . . . . 4 ASN H . 51395 1 6 . 1 . 1 2 2 ASN CA C 13 53.636 0.3 . 1 . . . . . 4 ASN CA . 51395 1 7 . 1 . 1 2 2 ASN CB C 13 38.608 0.3 . 1 . . . . . 4 ASN CB . 51395 1 8 . 1 . 1 2 2 ASN N N 15 119.782 0.3 . 1 . . . . . 4 ASN N . 51395 1 9 . 1 . 1 3 3 SER H H 1 8.281 0.020 . 1 . . . . . 5 SER H . 51395 1 10 . 1 . 1 3 3 SER CA C 13 59.043 0.3 . 1 . . . . . 5 SER CA . 51395 1 11 . 1 . 1 3 3 SER CB C 13 63.467 0.3 . 1 . . . . . 5 SER CB . 51395 1 12 . 1 . 1 3 3 SER N N 15 115.960 0.3 . 1 . . . . . 5 SER N . 51395 1 13 . 1 . 1 4 4 GLU H H 1 8.575 0.020 . 1 . . . . . 6 GLU H . 51395 1 14 . 1 . 1 4 4 GLU CA C 13 57.709 0.3 . 1 . . . . . 6 GLU CA . 51395 1 15 . 1 . 1 4 4 GLU CB C 13 29.620 0.3 . 1 . . . . . 6 GLU CB . 51395 1 16 . 1 . 1 4 4 GLU N N 15 123.218 0.3 . 1 . . . . . 6 GLU N . 51395 1 17 . 1 . 1 5 5 LYS H H 1 8.172 0.020 . 1 . . . . . 7 LYS H . 51395 1 18 . 1 . 1 5 5 LYS CA C 13 57.098 0.3 . 1 . . . . . 7 LYS CA . 51395 1 19 . 1 . 1 5 5 LYS CB C 13 32.520 0.3 . 1 . . . . . 7 LYS CB . 51395 1 20 . 1 . 1 5 5 LYS N N 15 120.665 0.3 . 1 . . . . . 7 LYS N . 51395 1 21 . 1 . 1 6 6 LEU H H 1 8.075 0.020 . 1 . . . . . 8 LEU H . 51395 1 22 . 1 . 1 6 6 LEU CA C 13 56.515 0.3 . 1 . . . . . 8 LEU CA . 51395 1 23 . 1 . 1 6 6 LEU CB C 13 41.698 0.3 . 1 . . . . . 8 LEU CB . 51395 1 24 . 1 . 1 6 6 LEU N N 15 122.398 0.3 . 1 . . . . . 8 LEU N . 51395 1 25 . 1 . 1 7 7 ILE H H 1 8.286 0.020 . 1 . . . . . 9 ILE H . 51395 1 26 . 1 . 1 7 7 ILE CA C 13 63.326 0.3 . 1 . . . . . 9 ILE CA . 51395 1 27 . 1 . 1 7 7 ILE CB C 13 37.484 0.3 . 1 . . . . . 9 ILE CB . 51395 1 28 . 1 . 1 7 7 ILE N N 15 121.088 0.3 . 1 . . . . . 9 ILE N . 51395 1 29 . 1 . 1 8 8 ALA H H 1 8.342 0.020 . 1 . . . . . 10 ALA H . 51395 1 30 . 1 . 1 8 8 ALA CA C 13 55.061 0.3 . 1 . . . . . 10 ALA CA . 51395 1 31 . 1 . 1 8 8 ALA CB C 13 18.195 0.3 . 1 . . . . . 10 ALA CB . 51395 1 32 . 1 . 1 8 8 ALA N N 15 123.215 0.3 . 1 . . . . . 10 ALA N . 51395 1 33 . 1 . 1 9 9 SER H H 1 7.828 0.020 . 1 . . . . . 11 SER H . 51395 1 34 . 1 . 1 9 9 SER CA C 13 60.588 0.3 . 1 . . . . . 11 SER CA . 51395 1 35 . 1 . 1 9 9 SER CB C 13 62.905 0.3 . 1 . . . . . 11 SER CB . 51395 1 36 . 1 . 1 9 9 SER N N 15 113.445 0.3 . 1 . . . . . 11 SER N . 51395 1 37 . 1 . 1 10 10 LEU H H 1 7.825 0.020 . 1 . . . . . 12 LEU H . 51395 1 38 . 1 . 1 10 10 LEU CA C 13 56.936 0.3 . 1 . . . . . 12 LEU CA . 51395 1 39 . 1 . 1 10 10 LEU CB C 13 42.049 0.3 . 1 . . . . . 12 LEU CB . 51395 1 40 . 1 . 1 10 10 LEU N N 15 122.391 0.3 . 1 . . . . . 12 LEU N . 51395 1 41 . 1 . 1 11 11 LEU H H 1 8.030 0.020 . 1 . . . . . 13 LEU H . 51395 1 42 . 1 . 1 11 11 LEU CA C 13 56.655 0.3 . 1 . . . . . 13 LEU CA . 51395 1 43 . 1 . 1 11 11 LEU CB C 13 41.979 0.3 . 1 . . . . . 13 LEU CB . 51395 1 44 . 1 . 1 11 11 LEU N N 15 117.474 0.3 . 1 . . . . . 13 LEU N . 51395 1 45 . 1 . 1 12 12 ALA H H 1 7.555 0.020 . 1 . . . . . 14 ALA H . 51395 1 46 . 1 . 1 12 12 ALA CA C 13 54.197 0.3 . 1 . . . . . 14 ALA CA . 51395 1 47 . 1 . 1 12 12 ALA CB C 13 18.524 0.3 . 1 . . . . . 14 ALA CB . 51395 1 48 . 1 . 1 12 12 ALA N N 15 119.920 0.3 . 1 . . . . . 14 ALA N . 51395 1 49 . 1 . 1 13 13 ASN H H 1 7.770 0.020 . 1 . . . . . 15 ASN H . 51395 1 50 . 1 . 1 13 13 ASN CA C 13 52.863 0.3 . 1 . . . . . 15 ASN CA . 51395 1 51 . 1 . 1 13 13 ASN CB C 13 39.310 0.3 . 1 . . . . . 15 ASN CB . 51395 1 52 . 1 . 1 13 13 ASN N N 15 114.145 0.3 . 1 . . . . . 15 ASN N . 51395 1 53 . 1 . 1 14 14 ALA H H 1 7.509 0.020 . 1 . . . . . 16 ALA H . 51395 1 54 . 1 . 1 14 14 ALA CA C 13 51.340 0.3 . 1 . . . . . 16 ALA CA . 51395 1 55 . 1 . 1 14 14 ALA CB C 13 20.372 0.3 . 1 . . . . . 16 ALA CB . 51395 1 56 . 1 . 1 14 14 ALA N N 15 123.320 0.3 . 1 . . . . . 16 ALA N . 51395 1 57 . 1 . 1 15 15 LYS H H 1 8.761 0.020 . 1 . . . . . 17 LYS H . 51395 1 58 . 1 . 1 15 15 LYS CA C 13 55.110 0.3 . 1 . . . . . 17 LYS CA . 51395 1 59 . 1 . 1 15 15 LYS CB C 13 31.164 0.3 . 1 . . . . . 17 LYS CB . 51395 1 60 . 1 . 1 15 15 LYS N N 15 122.225 0.3 . 1 . . . . . 17 LYS N . 51395 1 61 . 1 . 1 17 17 GLN H H 1 9.050 0.020 . 1 . . . . . 19 GLN H . 51395 1 62 . 1 . 1 17 17 GLN CA C 13 58.481 0.3 . 1 . . . . . 19 GLN CA . 51395 1 63 . 1 . 1 17 17 GLN CB C 13 27.934 0.3 . 1 . . . . . 19 GLN CB . 51395 1 64 . 1 . 1 17 17 GLN N N 15 116.408 0.3 . 1 . . . . . 19 GLN N . 51395 1 65 . 1 . 1 18 18 GLU H H 1 7.545 0.020 . 1 . . . . . 20 GLU H . 51395 1 66 . 1 . 1 18 18 GLU CA C 13 58.130 0.3 . 1 . . . . . 20 GLU CA . 51395 1 67 . 1 . 1 18 18 GLU CB C 13 29.971 0.3 . 1 . . . . . 20 GLU CB . 51395 1 68 . 1 . 1 18 18 GLU N N 15 120.277 0.3 . 1 . . . . . 20 GLU N . 51395 1 69 . 1 . 1 19 19 GLN H H 1 8.246 0.020 . 1 . . . . . 21 GLN H . 51395 1 70 . 1 . 1 19 19 GLN CA C 13 59.345 0.3 . 1 . . . . . 21 GLN CA . 51395 1 71 . 1 . 1 19 19 GLN CB C 13 28.307 0.3 . 1 . . . . . 21 GLN CB . 51395 1 72 . 1 . 1 19 19 GLN N N 15 118.065 0.3 . 1 . . . . . 21 GLN N . 51395 1 73 . 1 . 1 20 20 LYS H H 1 7.677 0.020 . 1 . . . . . 22 LYS H . 51395 1 74 . 1 . 1 20 20 LYS CA C 13 58.200 0.3 . 1 . . . . . 22 LYS CA . 51395 1 75 . 1 . 1 20 20 LYS CB C 13 31.796 0.3 . 1 . . . . . 22 LYS CB . 51395 1 76 . 1 . 1 20 20 LYS N N 15 114.886 0.3 . 1 . . . . . 22 LYS N . 51395 1 77 . 1 . 1 21 21 GLN H H 1 7.608 0.020 . 1 . . . . . 23 GLN H . 51395 1 78 . 1 . 1 21 21 GLN CA C 13 58.988 0.3 . 1 . . . . . 23 GLN CA . 51395 1 79 . 1 . 1 21 21 GLN CB C 13 27.885 0.3 . 1 . . . . . 23 GLN CB . 51395 1 80 . 1 . 1 21 21 GLN N N 15 118.915 0.3 . 1 . . . . . 23 GLN N . 51395 1 81 . 1 . 1 22 22 ILE H H 1 8.066 0.020 . 1 . . . . . 24 ILE H . 51395 1 82 . 1 . 1 22 22 ILE CA C 13 64.752 0.3 . 1 . . . . . 24 ILE CA . 51395 1 83 . 1 . 1 22 22 ILE CB C 13 38.348 0.3 . 1 . . . . . 24 ILE CB . 51395 1 84 . 1 . 1 22 22 ILE N N 15 120.600 0.3 . 1 . . . . . 24 ILE N . 51395 1 85 . 1 . 1 23 23 LEU H H 1 8.030 0.020 . 1 . . . . . 25 LEU H . 51395 1 86 . 1 . 1 23 23 LEU CA C 13 58.221 0.3 . 1 . . . . . 25 LEU CA . 51395 1 87 . 1 . 1 23 23 LEU CB C 13 41.508 0.3 . 1 . . . . . 25 LEU CB . 51395 1 88 . 1 . 1 23 23 LEU N N 15 119.179 0.3 . 1 . . . . . 25 LEU N . 51395 1 89 . 1 . 1 24 24 GLY H H 1 8.925 0.020 . 1 . . . . . 26 GLY H . 51395 1 90 . 1 . 1 24 24 GLY CA C 13 48.229 0.3 . 1 . . . . . 26 GLY CA . 51395 1 91 . 1 . 1 24 24 GLY N N 15 107.810 0.3 . 1 . . . . . 26 GLY N . 51395 1 92 . 1 . 1 25 25 GLU H H 1 8.051 0.020 . 1 . . . . . 27 GLU H . 51395 1 93 . 1 . 1 25 25 GLU CA C 13 58.783 0.3 . 1 . . . . . 27 GLU CA . 51395 1 94 . 1 . 1 25 25 GLU CB C 13 29.430 0.3 . 1 . . . . . 27 GLU CB . 51395 1 95 . 1 . 1 25 25 GLU N N 15 120.105 0.3 . 1 . . . . . 27 GLU N . 51395 1 96 . 1 . 1 26 26 ARG H H 1 7.445 0.020 . 1 . . . . . 28 ARG H . 51395 1 97 . 1 . 1 26 26 ARG CA C 13 56.606 0.3 . 1 . . . . . 28 ARG CA . 51395 1 98 . 1 . 1 26 26 ARG CB C 13 30.132 0.3 . 1 . . . . . 28 ARG CB . 51395 1 99 . 1 . 1 26 26 ARG N N 15 116.517 0.3 . 1 . . . . . 28 ARG N . 51395 1 100 . 1 . 1 27 27 LEU H H 1 8.417 0.020 . 1 . . . . . 29 LEU H . 51395 1 101 . 1 . 1 27 27 LEU CA C 13 57.308 0.3 . 1 . . . . . 29 LEU CA . 51395 1 102 . 1 . 1 27 27 LEU CB C 13 44.036 0.3 . 1 . . . . . 29 LEU CB . 51395 1 103 . 1 . 1 27 27 LEU N N 15 118.692 0.3 . 1 . . . . . 29 LEU N . 51395 1 104 . 1 . 1 28 28 TYR H H 1 8.427 0.020 . 1 . . . . . 30 TYR H . 51395 1 105 . 1 . 1 28 28 TYR CA C 13 63.980 0.3 . 1 . . . . . 30 TYR CA . 51395 1 106 . 1 . 1 28 28 TYR CB C 13 35.610 0.3 . 1 . . . . . 30 TYR CB . 51395 1 107 . 1 . 1 28 28 TYR N N 15 118.248 0.3 . 1 . . . . . 30 TYR N . 51395 1 108 . 1 . 1 30 30 MET H H 1 7.017 0.020 . 1 . . . . . 32 MET H . 51395 1 109 . 1 . 1 30 30 MET CA C 13 58.622 0.3 . 1 . . . . . 32 MET CA . 51395 1 110 . 1 . 1 30 30 MET CB C 13 32.990 0.3 . 1 . . . . . 32 MET CB . 51395 1 111 . 1 . 1 30 30 MET N N 15 114.890 0.3 . 1 . . . . . 32 MET N . 51395 1 112 . 1 . 1 31 31 ILE H H 1 7.902 0.020 . 1 . . . . . 33 ILE H . 51395 1 113 . 1 . 1 31 31 ILE CA C 13 64.380 0.3 . 1 . . . . . 33 ILE CA . 51395 1 114 . 1 . 1 31 31 ILE CB C 13 37.133 0.3 . 1 . . . . . 33 ILE CB . 51395 1 115 . 1 . 1 31 31 ILE N N 15 120.094 0.3 . 1 . . . . . 33 ILE N . 51395 1 116 . 1 . 1 32 32 GLU H H 1 8.891 0.020 . 1 . . . . . 34 GLU H . 51395 1 117 . 1 . 1 32 32 GLU CA C 13 59.043 0.3 . 1 . . . . . 34 GLU CA . 51395 1 118 . 1 . 1 32 32 GLU CB C 13 29.339 0.3 . 1 . . . . . 34 GLU CB . 51395 1 119 . 1 . 1 32 32 GLU N N 15 123.060 0.3 . 1 . . . . . 34 GLU N . 51395 1 120 . 1 . 1 33 33 HIS H H 1 7.145 0.020 . 1 . . . . . 35 HIS H . 51395 1 121 . 1 . 1 33 33 HIS CA C 13 57.638 0.3 . 1 . . . . . 35 HIS CA . 51395 1 122 . 1 . 1 33 33 HIS CB C 13 29.339 0.3 . 1 . . . . . 35 HIS CB . 51395 1 123 . 1 . 1 33 33 HIS N N 15 112.520 0.3 . 1 . . . . . 35 HIS N . 51395 1 124 . 1 . 1 34 34 MET H H 1 7.410 0.020 . 1 . . . . . 36 MET H . 51395 1 125 . 1 . 1 34 34 MET CA C 13 57.944 0.3 . 1 . . . . . 36 MET CA . 51395 1 126 . 1 . 1 34 34 MET CB C 13 34.697 0.3 . 1 . . . . . 36 MET CB . 51395 1 127 . 1 . 1 34 34 MET N N 15 116.384 0.3 . 1 . . . . . 36 MET N . 51395 1 128 . 1 . 1 35 35 HIS H H 1 8.207 0.020 . 1 . . . . . 37 HIS H . 51395 1 129 . 1 . 1 35 35 HIS CA C 13 54.991 0.3 . 1 . . . . . 37 HIS CA . 51395 1 130 . 1 . 1 35 35 HIS CB C 13 31.186 0.3 . 1 . . . . . 37 HIS CB . 51395 1 131 . 1 . 1 35 35 HIS N N 15 117.660 0.3 . 1 . . . . . 37 HIS N . 51395 1 132 . 1 . 1 36 36 ALA H H 1 8.616 0.020 . 1 . . . . . 38 ALA H . 51395 1 133 . 1 . 1 36 36 ALA CA C 13 56.515 0.3 . 1 . . . . . 38 ALA CA . 51395 1 134 . 1 . 1 36 36 ALA CB C 13 18.384 0.3 . 1 . . . . . 38 ALA CB . 51395 1 135 . 1 . 1 36 36 ALA N N 15 127.552 0.3 . 1 . . . . . 38 ALA N . 51395 1 136 . 1 . 1 37 37 ASN H H 1 8.715 0.020 . 1 . . . . . 39 ASN H . 51395 1 137 . 1 . 1 37 37 ASN CA C 13 55.181 0.3 . 1 . . . . . 39 ASN CA . 51395 1 138 . 1 . 1 37 37 ASN CB C 13 37.765 0.3 . 1 . . . . . 39 ASN CB . 51395 1 139 . 1 . 1 37 37 ASN N N 15 113.867 0.3 . 1 . . . . . 39 ASN N . 51395 1 140 . 1 . 1 38 38 LEU H H 1 7.668 0.020 . 1 . . . . . 40 LEU H . 51395 1 141 . 1 . 1 38 38 LEU CA C 13 53.868 0.3 . 1 . . . . . 40 LEU CA . 51395 1 142 . 1 . 1 38 38 LEU CB C 13 43.404 0.3 . 1 . . . . . 40 LEU CB . 51395 1 143 . 1 . 1 38 38 LEU N N 15 117.803 0.3 . 1 . . . . . 40 LEU N . 51395 1 144 . 1 . 1 39 39 ALA H H 1 7.527 0.020 . 1 . . . . . 41 ALA H . 51395 1 145 . 1 . 1 39 39 ALA CA C 13 56.445 0.3 . 1 . . . . . 41 ALA CA . 51395 1 146 . 1 . 1 39 39 ALA CB C 13 17.682 0.3 . 1 . . . . . 41 ALA CB . 51395 1 147 . 1 . 1 39 39 ALA N N 15 121.969 0.3 . 1 . . . . . 41 ALA N . 51395 1 148 . 1 . 1 40 40 GLY H H 1 9.127 0.020 . 1 . . . . . 42 GLY H . 51395 1 149 . 1 . 1 40 40 GLY CA C 13 47.547 0.3 . 1 . . . . . 42 GLY CA . 51395 1 150 . 1 . 1 40 40 GLY N N 15 109.368 0.3 . 1 . . . . . 42 GLY N . 51395 1 151 . 1 . 1 41 41 LYS H H 1 7.911 0.020 . 1 . . . . . 43 LYS H . 51395 1 152 . 1 . 1 41 41 LYS CA C 13 58.502 0.3 . 1 . . . . . 43 LYS CA . 51395 1 153 . 1 . 1 41 41 LYS CB C 13 32.941 0.3 . 1 . . . . . 43 LYS CB . 51395 1 154 . 1 . 1 41 41 LYS N N 15 123.765 0.3 . 1 . . . . . 43 LYS N . 51395 1 155 . 1 . 1 42 42 ILE H H 1 8.660 0.020 . 1 . . . . . 44 ILE H . 51395 1 156 . 1 . 1 42 42 ILE CA C 13 65.082 0.3 . 1 . . . . . 44 ILE CA . 51395 1 157 . 1 . 1 42 42 ILE CB C 13 38.748 0.3 . 1 . . . . . 44 ILE CB . 51395 1 158 . 1 . 1 42 42 ILE N N 15 118.507 0.3 . 1 . . . . . 44 ILE N . 51395 1 159 . 1 . 1 43 43 THR H H 1 8.406 0.020 . 1 . . . . . 45 THR H . 51395 1 160 . 1 . 1 43 43 THR CA C 13 69.036 0.3 . 1 . . . . . 45 THR CA . 51395 1 161 . 1 . 1 43 43 THR CB C 13 68.053 0.3 . 1 . . . . . 45 THR CB . 51395 1 162 . 1 . 1 43 43 THR N N 15 116.644 0.3 . 1 . . . . . 45 THR N . 51395 1 163 . 1 . 1 44 44 GLY H H 1 7.690 0.020 . 1 . . . . . 46 GLY H . 51395 1 164 . 1 . 1 44 44 GLY CA C 13 47.423 0.3 . 1 . . . . . 46 GLY CA . 51395 1 165 . 1 . 1 44 44 GLY N N 15 104.395 0.3 . 1 . . . . . 46 GLY N . 51395 1 166 . 1 . 1 45 45 MET H H 1 7.563 0.020 . 1 . . . . . 47 MET H . 51395 1 167 . 1 . 1 45 45 MET CA C 13 58.832 0.3 . 1 . . . . . 47 MET CA . 51395 1 168 . 1 . 1 45 45 MET CB C 13 33.903 0.3 . 1 . . . . . 47 MET CB . 51395 1 169 . 1 . 1 45 45 MET N N 15 119.543 0.3 . 1 . . . . . 47 MET N . 51395 1 170 . 1 . 1 47 47 LEU H H 1 7.856 0.020 . 1 . . . . . 49 LEU H . 51395 1 171 . 1 . 1 47 47 LEU CA C 13 56.655 0.3 . 1 . . . . . 49 LEU CA . 51395 1 172 . 1 . 1 47 47 LEU CB C 13 41.557 0.3 . 1 . . . . . 49 LEU CB . 51395 1 173 . 1 . 1 47 47 LEU N N 15 115.124 0.3 . 1 . . . . . 49 LEU N . 51395 1 174 . 1 . 1 48 48 GLU H H 1 7.181 0.020 . 1 . . . . . 50 GLU H . 51395 1 175 . 1 . 1 48 48 GLU CA C 13 57.147 0.3 . 1 . . . . . 50 GLU CA . 51395 1 176 . 1 . 1 48 48 GLU CB C 13 29.830 0.3 . 1 . . . . . 50 GLU CB . 51395 1 177 . 1 . 1 48 48 GLU N N 15 116.355 0.3 . 1 . . . . . 50 GLU N . 51395 1 178 . 1 . 1 49 49 ILE H H 1 7.815 0.020 . 1 . . . . . 51 ILE H . 51395 1 179 . 1 . 1 49 49 ILE CA C 13 61.928 0.3 . 1 . . . . . 51 ILE CA . 51395 1 180 . 1 . 1 49 49 ILE CB C 13 37.484 0.3 . 1 . . . . . 51 ILE CB . 51395 1 181 . 1 . 1 49 49 ILE N N 15 122.165 0.3 . 1 . . . . . 51 ILE N . 51395 1 182 . 1 . 1 50 50 GLU H H 1 7.957 0.020 . 1 . . . . . 52 GLU H . 51395 1 183 . 1 . 1 50 50 GLU CA C 13 57.341 0.3 . 1 . . . . . 52 GLU CA . 51395 1 184 . 1 . 1 50 50 GLU CB C 13 30.132 0.3 . 1 . . . . . 52 GLU CB . 51395 1 185 . 1 . 1 50 50 GLU N N 15 121.160 0.3 . 1 . . . . . 52 GLU N . 51395 1 186 . 1 . 1 51 51 ASN H H 1 8.659 0.020 . 1 . . . . . 53 ASN H . 51395 1 187 . 1 . 1 51 51 ASN CA C 13 56.655 0.3 . 1 . . . . . 53 ASN CA . 51395 1 188 . 1 . 1 51 51 ASN CB C 13 37.274 0.3 . 1 . . . . . 53 ASN CB . 51395 1 189 . 1 . 1 51 51 ASN N N 15 122.225 0.3 . 1 . . . . . 53 ASN N . 51395 1 190 . 1 . 1 52 52 SER H H 1 8.864 0.020 . 1 . . . . . 54 SER H . 51395 1 191 . 1 . 1 52 52 SER CA C 13 61.571 0.3 . 1 . . . . . 54 SER CA . 51395 1 192 . 1 . 1 52 52 SER CB C 13 61.700 0.3 . 1 . . . . . 54 SER CB . 51395 1 193 . 1 . 1 52 52 SER N N 15 114.015 0.3 . 1 . . . . . 54 SER N . 51395 1 194 . 1 . 1 53 53 GLU H H 1 7.262 0.020 . 1 . . . . . 55 GLU H . 51395 1 195 . 1 . 1 53 53 GLU CA C 13 58.341 0.3 . 1 . . . . . 55 GLU CA . 51395 1 196 . 1 . 1 53 53 GLU CB C 13 29.198 0.3 . 1 . . . . . 55 GLU CB . 51395 1 197 . 1 . 1 53 53 GLU N N 15 123.687 0.3 . 1 . . . . . 55 GLU N . 51395 1 198 . 1 . 1 54 54 LEU H H 1 7.952 0.020 . 1 . . . . . 56 LEU H . 51395 1 199 . 1 . 1 54 54 LEU CA C 13 58.130 0.3 . 1 . . . . . 56 LEU CA . 51395 1 200 . 1 . 1 54 54 LEU CB C 13 42.541 0.3 . 1 . . . . . 56 LEU CB . 51395 1 201 . 1 . 1 54 54 LEU N N 15 121.801 0.3 . 1 . . . . . 56 LEU N . 51395 1 202 . 1 . 1 55 55 LEU H H 1 8.373 0.020 . 1 . . . . . 57 LEU H . 51395 1 203 . 1 . 1 55 55 LEU CA C 13 57.990 0.3 . 1 . . . . . 57 LEU CA . 51395 1 204 . 1 . 1 55 55 LEU CB C 13 41.347 0.3 . 1 . . . . . 57 LEU CB . 51395 1 205 . 1 . 1 55 55 LEU N N 15 117.529 0.3 . 1 . . . . . 57 LEU N . 51395 1 206 . 1 . 1 56 56 HIS H H 1 7.378 0.020 . 1 . . . . . 58 HIS H . 51395 1 207 . 1 . 1 56 56 HIS CA C 13 58.200 0.3 . 1 . . . . . 58 HIS CA . 51395 1 208 . 1 . 1 56 56 HIS CB C 13 28.145 0.3 . 1 . . . . . 58 HIS CB . 51395 1 209 . 1 . 1 56 56 HIS N N 15 116.398 0.3 . 1 . . . . . 58 HIS N . 51395 1 210 . 1 . 1 57 57 MET H H 1 8.065 0.020 . 1 . . . . . 59 MET H . 51395 1 211 . 1 . 1 57 57 MET CA C 13 58.713 0.3 . 1 . . . . . 59 MET CA . 51395 1 212 . 1 . 1 57 57 MET CB C 13 33.644 0.3 . 1 . . . . . 59 MET CB . 51395 1 213 . 1 . 1 57 57 MET N N 15 118.387 0.3 . 1 . . . . . 59 MET N . 51395 1 214 . 1 . 1 58 58 ILE H H 1 7.628 0.020 . 1 . . . . . 60 ILE H . 51395 1 215 . 1 . 1 58 58 ILE CA C 13 64.471 0.3 . 1 . . . . . 60 ILE CA . 51395 1 216 . 1 . 1 58 58 ILE CB C 13 38.046 0.3 . 1 . . . . . 60 ILE CB . 51395 1 217 . 1 . 1 58 58 ILE N N 15 115.695 0.3 . 1 . . . . . 60 ILE N . 51395 1 218 . 1 . 1 59 59 GLU H H 1 7.206 0.020 . 1 . . . . . 61 GLU H . 51395 1 219 . 1 . 1 59 59 GLU CA C 13 56.936 0.3 . 1 . . . . . 61 GLU CA . 51395 1 220 . 1 . 1 59 59 GLU CB C 13 30.462 0.3 . 1 . . . . . 61 GLU CB . 51395 1 221 . 1 . 1 59 59 GLU N N 15 116.754 0.3 . 1 . . . . . 61 GLU N . 51395 1 222 . 1 . 1 60 60 ASP H H 1 7.829 0.020 . 1 . . . . . 62 ASP H . 51395 1 223 . 1 . 1 60 60 ASP CA C 13 52.442 0.3 . 1 . . . . . 62 ASP CA . 51395 1 224 . 1 . 1 60 60 ASP CB C 13 41.417 0.3 . 1 . . . . . 62 ASP CB . 51395 1 225 . 1 . 1 60 60 ASP N N 15 120.304 0.3 . 1 . . . . . 62 ASP N . 51395 1 226 . 1 . 1 61 61 GLN H H 1 8.612 0.020 . 1 . . . . . 63 GLN H . 51395 1 227 . 1 . 1 61 61 GLN CA C 13 58.762 0.3 . 1 . . . . . 63 GLN CA . 51395 1 228 . 1 . 1 61 61 GLN CB C 13 28.496 0.3 . 1 . . . . . 63 GLN CB . 51395 1 229 . 1 . 1 61 61 GLN N N 15 122.880 0.3 . 1 . . . . . 63 GLN N . 51395 1 230 . 1 . 1 62 62 GLU H H 1 8.232 0.020 . 1 . . . . . 64 GLU H . 51395 1 231 . 1 . 1 62 62 GLU CA C 13 59.058 0.3 . 1 . . . . . 64 GLU CA . 51395 1 232 . 1 . 1 62 62 GLU CB C 13 28.636 0.3 . 1 . . . . . 64 GLU CB . 51395 1 233 . 1 . 1 62 62 GLU N N 15 119.462 0.3 . 1 . . . . . 64 GLU N . 51395 1 234 . 1 . 1 63 63 ALA H H 1 7.762 0.020 . 1 . . . . . 65 ALA H . 51395 1 235 . 1 . 1 63 63 ALA CA C 13 54.127 0.3 . 1 . . . . . 65 ALA CA . 51395 1 236 . 1 . 1 63 63 ALA CB C 13 17.752 0.3 . 1 . . . . . 65 ALA CB . 51395 1 237 . 1 . 1 63 63 ALA N N 15 124.555 0.3 . 1 . . . . . 65 ALA N . 51395 1 238 . 1 . 1 64 64 LEU H H 1 7.947 0.020 . 1 . . . . . 66 LEU H . 51395 1 239 . 1 . 1 64 64 LEU CA C 13 58.221 0.3 . 1 . . . . . 66 LEU CA . 51395 1 240 . 1 . 1 64 64 LEU CB C 13 40.244 0.3 . 1 . . . . . 66 LEU CB . 51395 1 241 . 1 . 1 64 64 LEU N N 15 118.915 0.3 . 1 . . . . . 66 LEU N . 51395 1 242 . 1 . 1 65 65 LYS H H 1 8.334 0.020 . 1 . . . . . 67 LYS H . 51395 1 243 . 1 . 1 65 65 LYS CA C 13 60.166 0.3 . 1 . . . . . 67 LYS CA . 51395 1 244 . 1 . 1 65 65 LYS CB C 13 32.358 0.3 . 1 . . . . . 67 LYS CB . 51395 1 245 . 1 . 1 65 65 LYS N N 15 118.318 0.3 . 1 . . . . . 67 LYS N . 51395 1 246 . 1 . 1 66 66 ALA H H 1 7.591 0.020 . 1 . . . . . 68 ALA H . 51395 1 247 . 1 . 1 66 66 ALA CA C 13 55.052 0.3 . 1 . . . . . 68 ALA CA . 51395 1 248 . 1 . 1 66 66 ALA CB C 13 17.914 0.3 . 1 . . . . . 68 ALA CB . 51395 1 249 . 1 . 1 66 66 ALA N N 15 118.866 0.3 . 1 . . . . . 68 ALA N . 51395 1 250 . 1 . 1 67 67 LYS H H 1 7.597 0.020 . 1 . . . . . 69 LYS H . 51395 1 251 . 1 . 1 67 67 LYS CA C 13 56.957 0.3 . 1 . . . . . 69 LYS CA . 51395 1 252 . 1 . 1 67 67 LYS CB C 13 31.888 0.3 . 1 . . . . . 69 LYS CB . 51395 1 253 . 1 . 1 67 67 LYS N N 15 118.180 0.3 . 1 . . . . . 69 LYS N . 51395 1 254 . 1 . 1 68 68 VAL H H 1 8.865 0.020 . 1 . . . . . 70 VAL H . 51395 1 255 . 1 . 1 68 68 VAL CA C 13 67.118 0.3 . 1 . . . . . 70 VAL CA . 51395 1 256 . 1 . 1 68 68 VAL CB C 13 31.445 0.3 . 1 . . . . . 70 VAL CB . 51395 1 257 . 1 . 1 68 68 VAL N N 15 121.638 0.3 . 1 . . . . . 70 VAL N . 51395 1 258 . 1 . 1 72 72 VAL H H 1 8.553 0.020 . 1 . . . . . 74 VAL H . 51395 1 259 . 1 . 1 72 72 VAL CA C 13 66.908 0.3 . 1 . . . . . 74 VAL CA . 51395 1 260 . 1 . 1 72 72 VAL CB C 13 31.305 0.3 . 1 . . . . . 74 VAL CB . 51395 1 261 . 1 . 1 72 72 VAL N N 15 117.777 0.3 . 1 . . . . . 74 VAL N . 51395 1 262 . 1 . 1 73 73 ALA H H 1 7.476 0.020 . 1 . . . . . 75 ALA H . 51395 1 263 . 1 . 1 73 73 ALA CA C 13 54.970 0.3 . 1 . . . . . 75 ALA CA . 51395 1 264 . 1 . 1 73 73 ALA CB C 13 17.682 0.3 . 1 . . . . . 75 ALA CB . 51395 1 265 . 1 . 1 73 73 ALA N N 15 120.297 0.3 . 1 . . . . . 75 ALA N . 51395 1 266 . 1 . 1 74 74 VAL H H 1 7.581 0.020 . 1 . . . . . 76 VAL H . 51395 1 267 . 1 . 1 74 74 VAL CA C 13 65.372 0.3 . 1 . . . . . 76 VAL CA . 51395 1 268 . 1 . 1 74 74 VAL N N 15 117.635 0.3 . 1 . . . . . 76 VAL N . 51395 1 269 . 1 . 1 79 79 ARG H H 1 8.225 0.020 . 1 . . . . . 81 ARG H . 51395 1 270 . 1 . 1 79 79 ARG CA C 13 55.904 0.3 . 1 . . . . . 81 ARG CA . 51395 1 271 . 1 . 1 79 79 ARG CB C 13 30.835 0.3 . 1 . . . . . 81 ARG CB . 51395 1 272 . 1 . 1 79 79 ARG N N 15 122.886 0.3 . 1 . . . . . 81 ARG N . 51395 1 273 . 1 . 1 80 80 VAL H H 1 8.284 0.020 . 1 . . . . . 82 VAL H . 51395 1 274 . 1 . 1 80 80 VAL CA C 13 62.414 0.3 . 1 . . . . . 82 VAL CA . 51395 1 275 . 1 . 1 80 80 VAL CB C 13 32.639 0.3 . 1 . . . . . 82 VAL CB . 51395 1 276 . 1 . 1 80 80 VAL N N 15 121.657 0.3 . 1 . . . . . 82 VAL N . 51395 1 277 . 1 . 1 81 81 THR H H 1 8.191 0.020 . 1 . . . . . 83 THR H . 51395 1 278 . 1 . 1 81 81 THR CA C 13 61.592 0.3 . 1 . . . . . 83 THR CA . 51395 1 279 . 1 . 1 81 81 THR CB C 13 69.668 0.3 . 1 . . . . . 83 THR CB . 51395 1 280 . 1 . 1 81 81 THR N N 15 117.769 0.3 . 1 . . . . . 83 THR N . 51395 1 281 . 1 . 1 82 82 GLU H H 1 8.357 0.020 . 1 . . . . . 84 GLU H . 51395 1 282 . 1 . 1 82 82 GLU CA C 13 54.198 0.3 . 1 . . . . . 84 GLU CA . 51395 1 283 . 1 . 1 82 82 GLU CB C 13 29.549 0.3 . 1 . . . . . 84 GLU CB . 51395 1 284 . 1 . 1 82 82 GLU N N 15 124.953 0.3 . 1 . . . . . 84 GLU N . 51395 1 285 . 1 . 1 84 84 ALA H H 1 8.414 0.020 . 1 . . . . . 86 ALA H . 51395 1 286 . 1 . 1 84 84 ALA CA C 13 52.231 0.3 . 1 . . . . . 86 ALA CA . 51395 1 287 . 1 . 1 84 84 ALA CB C 13 19.156 0.3 . 1 . . . . . 86 ALA CB . 51395 1 288 . 1 . 1 84 84 ALA N N 15 124.956 0.3 . 1 . . . . . 86 ALA N . 51395 1 289 . 1 . 1 85 85 ASN H H 1 7.952 0.020 . 1 . . . . . 87 ASN H . 51395 1 290 . 1 . 1 85 85 ASN CA C 13 54.640 0.3 . 1 . . . . . 87 ASN CA . 51395 1 291 . 1 . 1 85 85 ASN CB C 13 40.385 0.3 . 1 . . . . . 87 ASN CB . 51395 1 292 . 1 . 1 85 85 ASN N N 15 123.302 0.3 . 1 . . . . . 87 ASN N . 51395 1 stop_ save_