################################### # 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 19336 _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 2 '3D HNCO' 1 $sample_1 . 19336 1 3 '3D CBCANH' 1 $sample_1 . 19336 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.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 GLN H H 1 7.751 . . . . . . . . 0 Gln H . 19336 1 2 . 1 1 1 1 GLN C C 13 177.948 . . . . . . . . 0 Gln C . 19336 1 3 . 1 1 1 1 GLN CA C 13 59.888 . . . . . . . . 0 Gln CA . 19336 1 4 . 1 1 1 1 GLN CB C 13 28.014 . . . . . . . . 0 Gln CB . 19336 1 5 . 1 1 1 1 GLN N N 15 124.812 . . . . . . . . 0 Gln N . 19336 1 6 . 1 1 2 2 GLY H H 1 8.163 . . . . . . . . 1 Gly H . 19336 1 7 . 1 1 2 2 GLY CA C 13 44.422 . . . . . . . . 1 Gly CA . 19336 1 8 . 1 1 2 2 GLY N N 15 108.818 . . . . . . . . 1 Gly N . 19336 1 9 . 1 1 4 4 PRO C C 13 176.743 . . . . . . . . 3 Pro CA . 19336 1 10 . 1 1 4 4 PRO CB C 13 31.803 . . . . . . . . 3 Pro N . 19336 1 11 . 1 1 5 5 LEU H H 1 8.083 . . . . . . . . 4 Leu H . 19336 1 12 . 1 1 5 5 LEU C C 13 177.365 . . . . . . . . 4 Leu C . 19336 1 13 . 1 1 5 5 LEU CA C 13 55.735 . . . . . . . . 4 Leu CA . 19336 1 14 . 1 1 5 5 LEU CB C 13 42.629 . . . . . . . . 4 Leu CB . 19336 1 15 . 1 1 5 5 LEU N N 15 121.358 . . . . . . . . 4 Leu N . 19336 1 16 . 1 1 6 6 MET H H 1 8.152 . . . . . . . . 5 Met H . 19336 1 17 . 1 1 6 6 MET C C 13 175.931 . . . . . . . . 5 Met C . 19336 1 18 . 1 1 6 6 MET CA C 13 55.744 . . . . . . . . 5 Met CA . 19336 1 19 . 1 1 6 6 MET CB C 13 33.198 . . . . . . . . 5 Met CB . 19336 1 20 . 1 1 6 6 MET N N 15 119.529 . . . . . . . . 5 Met N . 19336 1 21 . 1 1 7 7 ALA H H 1 8.109 . . . . . . . . 6 Ala H . 19336 1 22 . 1 1 7 7 ALA C C 13 177.792 . . . . . . . . 6 Ala C . 19336 1 23 . 1 1 7 7 ALA CA C 13 52.950 . . . . . . . . 6 Ala CA . 19336 1 24 . 1 1 7 7 ALA CB C 13 19.427 . . . . . . . . 6 Ala CB . 19336 1 25 . 1 1 7 7 ALA N N 15 124.068 . . . . . . . . 6 Ala N . 19336 1 26 . 1 1 8 8 THR H H 1 7.859 . . . . . . . . 7 Thr H . 19336 1 27 . 1 1 8 8 THR C C 13 174.789 . . . . . . . . 7 Thr C . 19336 1 28 . 1 1 8 8 THR CA C 13 62.262 . . . . . . . . 7 Thr CA . 19336 1 29 . 1 1 8 8 THR CB C 13 69.791 . . . . . . . . 7 Thr CB . 19336 1 30 . 1 1 8 8 THR N N 15 111.725 . . . . . . . . 7 Thr N . 19336 1 31 . 1 1 9 9 GLN H H 1 8.184 . . . . . . . . 8 Gln H . 19336 1 32 . 1 1 9 9 GLN C C 13 176.074 . . . . . . . . 8 Gln C . 19336 1 33 . 1 1 9 9 GLN CA C 13 56.410 . . . . . . . . 8 Gln CA . 19336 1 34 . 1 1 9 9 GLN CB C 13 29.613 . . . . . . . . 8 Gln CB . 19336 1 35 . 1 1 9 9 GLN N N 15 121.381 . . . . . . . . 8 Gln N . 19336 1 36 . 1 1 10 10 SER H H 1 8.127 . . . . . . . . 9 Ser H . 19336 1 37 . 1 1 10 10 SER C C 13 174.776 . . . . . . . . 9 Ser C . 19336 1 38 . 1 1 10 10 SER CA C 13 59.027 . . . . . . . . 9 Ser CA . 19336 1 39 . 1 1 10 10 SER CB C 13 64.145 . . . . . . . . 9 Ser CB . 19336 1 40 . 1 1 10 10 SER N N 15 115.660 . . . . . . . . 9 Ser N . 19336 1 41 . 1 1 11 11 CYS H H 1 8.336 . . . . . . . . 10 Cys H . 19336 1 42 . 1 1 11 11 CYS CA C 13 56.015 . . . . . . . . 10 Cys CA . 19336 1 43 . 1 1 11 11 CYS CB C 13 41.540 . . . . . . . . 10 Cys CB . 19336 1 44 . 1 1 11 11 CYS N N 15 119.586 . . . . . . . . 10 Cys N . 19336 1 45 . 1 1 12 12 CYS H H 1 8.291 . . . . . . . . 11 Cys H . 19336 1 46 . 1 1 12 12 CYS CA C 13 56.658 . . . . . . . . 11 Cys CA . 19336 1 47 . 1 1 12 12 CYS CB C 13 41.526 . . . . . . . . 11 Cys CB . 19336 1 48 . 1 1 12 12 CYS N N 15 119.133 . . . . . . . . 11 Cys N . 19336 1 49 . 1 1 13 13 PHE C C 13 175.066 . . . . . . . . 12 Phe H . 19336 1 50 . 1 1 14 14 ALA H H 1 7.883 . . . . . . . . 13 Ala H . 19336 1 51 . 1 1 14 14 ALA C C 13 177.074 . . . . . . . . 13 Ala C . 19336 1 52 . 1 1 14 14 ALA CA C 13 53.091 . . . . . . . . 13 Ala CA . 19336 1 53 . 1 1 14 14 ALA CB C 13 19.869 . . . . . . . . 13 Ala CB . 19336 1 54 . 1 1 14 14 ALA N N 15 122.472 . . . . . . . . 13 Ala N . 19336 1 55 . 1 1 15 15 TYR H H 1 7.782 . . . . . . . . 14 Tyr H . 19336 1 56 . 1 1 15 15 TYR CA C 13 58.482 . . . . . . . . 14 Tyr CA . 19336 1 57 . 1 1 15 15 TYR CB C 13 40.170 . . . . . . . . 14 Tyr CB . 19336 1 58 . 1 1 15 15 TYR N N 15 117.029 . . . . . . . . 14 Tyr N . 19336 1 59 . 1 1 16 16 ILE C C 13 174.747 . . . . . . . . 15 Ile H . 19336 1 60 . 1 1 17 17 ALA H H 1 7.873 . . . . . . . . 16 Ala H . 19336 1 61 . 1 1 17 17 ALA C C 13 176.845 . . . . . . . . 16 Ala C . 19336 1 62 . 1 1 17 17 ALA CA C 13 52.283 . . . . . . . . 16 Ala CA . 19336 1 63 . 1 1 17 17 ALA CB C 13 19.670 . . . . . . . . 16 Ala CB . 19336 1 64 . 1 1 17 17 ALA N N 15 124.077 . . . . . . . . 16 Ala N . 19336 1 65 . 1 1 18 18 ARG H H 1 7.706 . . . . . . . . 17 Arg H . 19336 1 66 . 1 1 18 18 ARG CA C 13 54.997 . . . . . . . . 17 Arg CA . 19336 1 67 . 1 1 18 18 ARG CB C 13 30.503 . . . . . . . . 17 Arg CB . 19336 1 68 . 1 1 18 18 ARG N N 15 119.255 . . . . . . . . 17 Arg N . 19336 1 69 . 1 1 19 19 PRO C C 13 176.146 . . . . . . . . 18 Pro CA . 19336 1 70 . 1 1 19 19 PRO CB C 13 31.860 . . . . . . . . 18 Pro N . 19336 1 71 . 1 1 20 20 LEU H H 1 7.854 . . . . . . . . 19 Leu H . 19336 1 72 . 1 1 20 20 LEU CA C 13 53.227 . . . . . . . . 19 Leu CA . 19336 1 73 . 1 1 20 20 LEU CB C 13 42.359 . . . . . . . . 19 Leu CB . 19336 1 74 . 1 1 20 20 LEU N N 15 121.444 . . . . . . . . 19 Leu N . 19336 1 75 . 1 1 21 21 PRO C C 13 176.937 . . . . . . . . 20 Pro CA . 19336 1 76 . 1 1 21 21 PRO CB C 13 31.761 . . . . . . . . 20 Pro N . 19336 1 77 . 1 1 22 22 ARG H H 1 8.124 . . . . . . . . 21 Arg H . 19336 1 78 . 1 1 22 22 ARG C C 13 176.069 . . . . . . . . 21 Arg C . 19336 1 79 . 1 1 22 22 ARG CA C 13 56.882 . . . . . . . . 21 Arg CA . 19336 1 80 . 1 1 22 22 ARG CB C 13 30.462 . . . . . . . . 21 Arg CB . 19336 1 81 . 1 1 22 22 ARG N N 15 118.299 . . . . . . . . 21 Arg N . 19336 1 82 . 1 1 23 23 ALA H H 1 7.951 . . . . . . . . 22 Ala H . 19336 1 83 . 1 1 23 23 ALA C C 13 177.350 . . . . . . . . 22 Ala C . 19336 1 84 . 1 1 23 23 ALA CA C 13 52.834 . . . . . . . . 22 Ala CA . 19336 1 85 . 1 1 23 23 ALA CB C 13 19.746 . . . . . . . . 22 Ala CB . 19336 1 86 . 1 1 23 23 ALA N N 15 121.559 . . . . . . . . 22 Ala N . 19336 1 87 . 1 1 24 24 HIS H H 1 8.297 . . . . . . . . 23 His H . 19336 1 88 . 1 1 24 24 HIS C C 13 174.977 . . . . . . . . 23 His C . 19336 1 89 . 1 1 24 24 HIS CA C 13 55.868 . . . . . . . . 23 His CA . 19336 1 90 . 1 1 24 24 HIS CB C 13 28.675 . . . . . . . . 23 His CB . 19336 1 91 . 1 1 24 24 HIS N N 15 115.398 . . . . . . . . 23 His N . 19336 1 92 . 1 1 25 25 ILE H H 1 8.011 . . . . . . . . 24 Ile H . 19336 1 93 . 1 1 25 25 ILE C C 13 176.250 . . . . . . . . 24 Ile C . 19336 1 94 . 1 1 25 25 ILE CA C 13 62.717 . . . . . . . . 24 Ile CA . 19336 1 95 . 1 1 25 25 ILE CB C 13 38.741 . . . . . . . . 24 Ile CB . 19336 1 96 . 1 1 25 25 ILE N N 15 119.252 . . . . . . . . 24 Ile N . 19336 1 97 . 1 1 26 26 LYS H H 1 8.264 . . . . . . . . 25 Lys H . 19336 1 98 . 1 1 26 26 LYS C C 13 176.780 . . . . . . . . 25 Lys C . 19336 1 99 . 1 1 26 26 LYS CA C 13 58.463 . . . . . . . . 25 Lys CA . 19336 1 100 . 1 1 26 26 LYS CB C 13 32.737 . . . . . . . . 25 Lys CB . 19336 1 101 . 1 1 26 26 LYS N N 15 121.267 . . . . . . . . 25 Lys N . 19336 1 102 . 1 1 27 27 GLU H H 1 7.939 . . . . . . . . 26 Glu H . 19336 1 103 . 1 1 27 27 GLU C C 13 176.507 . . . . . . . . 26 Glu C . 19336 1 104 . 1 1 27 27 GLU CA C 13 57.318 . . . . . . . . 26 Glu CA . 19336 1 105 . 1 1 27 27 GLU CB C 13 29.244 . . . . . . . . 26 Glu CB . 19336 1 106 . 1 1 27 27 GLU N N 15 117.557 . . . . . . . . 26 Glu N . 19336 1 107 . 1 1 28 28 TYR H H 1 7.848 . . . . . . . . 27 Tyr H . 19336 1 108 . 1 1 28 28 TYR C C 13 175.600 . . . . . . . . 27 Tyr C . 19336 1 109 . 1 1 28 28 TYR CA C 13 59.379 . . . . . . . . 27 Tyr CA . 19336 1 110 . 1 1 28 28 TYR CB C 13 39.015 . . . . . . . . 27 Tyr CB . 19336 1 111 . 1 1 28 28 TYR N N 15 118.673 . . . . . . . . 27 Tyr N . 19336 1 112 . 1 1 29 29 PHE H H 1 7.783 . . . . . . . . 28 Phe H . 19336 1 113 . 1 1 29 29 PHE C C 13 175.199 . . . . . . . . 28 Phe C . 19336 1 114 . 1 1 29 29 PHE CA C 13 58.482 . . . . . . . . 28 Phe CA . 19336 1 115 . 1 1 29 29 PHE CB C 13 40.170 . . . . . . . . 28 Phe CB . 19336 1 116 . 1 1 29 29 PHE N N 15 117.133 . . . . . . . . 28 Phe N . 19336 1 117 . 1 1 30 30 TYR H H 1 7.937 . . . . . . . . 29 Tyr H . 19336 1 118 . 1 1 30 30 TYR C C 13 175.802 . . . . . . . . 29 Tyr C . 19336 1 119 . 1 1 30 30 TYR CA C 13 58.280 . . . . . . . . 29 Tyr CA . 19336 1 120 . 1 1 30 30 TYR CB C 13 39.271 . . . . . . . . 29 Tyr CB . 19336 1 121 . 1 1 30 30 TYR N N 15 118.997 . . . . . . . . 29 Tyr N . 19336 1 122 . 1 1 31 31 THR H H 1 7.873 . . . . . . . . 30 Thr H . 19336 1 123 . 1 1 31 31 THR C C 13 174.430 . . . . . . . . 30 Thr C . 19336 1 124 . 1 1 31 31 THR CA C 13 61.907 . . . . . . . . 30 Thr CA . 19336 1 125 . 1 1 31 31 THR CB C 13 69.987 . . . . . . . . 30 Thr CB . 19336 1 126 . 1 1 31 31 THR N N 15 113.544 . . . . . . . . 30 Thr N . 19336 1 127 . 1 1 32 32 SER H H 1 8.028 . . . . . . . . 31 Ser H . 19336 1 128 . 1 1 32 32 SER C C 13 175.007 . . . . . . . . 31 Ser C . 19336 1 129 . 1 1 32 32 SER CA C 13 58.803 . . . . . . . . 31 Ser CA . 19336 1 130 . 1 1 32 32 SER CB C 13 64.195 . . . . . . . . 31 Ser CB . 19336 1 131 . 1 1 32 32 SER N N 15 116.863 . . . . . . . . 31 Ser N . 19336 1 132 . 1 1 33 33 GLY H H 1 8.206 . . . . . . . . 32 Gly H . 19336 1 133 . 1 1 33 33 GLY C C 13 174.146 . . . . . . . . 32 Gly C . 19336 1 134 . 1 1 33 33 GLY CA C 13 45.750 . . . . . . . . 32 Gly CA . 19336 1 135 . 1 1 33 33 GLY N N 15 109.943 . . . . . . . . 32 Gly N . 19336 1 136 . 1 1 34 34 LYS H H 1 8.004 . . . . . . . . 33 Lys H . 19336 1 137 . 1 1 34 34 LYS C C 13 176.493 . . . . . . . . 33 Lys C . 19336 1 138 . 1 1 34 34 LYS CA C 13 56.673 . . . . . . . . 33 Lys CA . 19336 1 139 . 1 1 34 34 LYS CB C 13 33.070 . . . . . . . . 33 Lys CB . 19336 1 140 . 1 1 34 34 LYS N N 15 119.922 . . . . . . . . 33 Lys N . 19336 1 141 . 1 1 35 35 CYS H H 1 8.229 . . . . . . . . 34 Cys H . 19336 1 142 . 1 1 35 35 CYS C C 13 174.260 . . . . . . . . 34 Cys C . 19336 1 143 . 1 1 35 35 CYS CA C 13 55.539 . . . . . . . . 34 Cys CA . 19336 1 144 . 1 1 35 35 CYS CB C 13 41.677 . . . . . . . . 34 Cys CB . 19336 1 145 . 1 1 35 35 CYS N N 15 118.132 . . . . . . . . 34 Cys N . 19336 1 146 . 1 1 36 36 SER H H 1 8.130 . . . . . . . . 35 Ser H . 19336 1 147 . 1 1 36 36 SER C C 13 173.594 . . . . . . . . 35 Ser C . 19336 1 148 . 1 1 36 36 SER CA C 13 58.686 . . . . . . . . 35 Ser CA . 19336 1 149 . 1 1 36 36 SER CB C 13 64.067 . . . . . . . . 35 Ser CB . 19336 1 150 . 1 1 36 36 SER N N 15 116.429 . . . . . . . . 35 Ser N . 19336 1 151 . 1 1 37 37 ASN H H 1 8.006 . . . . . . . . 36 Asn H . 19336 1 152 . 1 1 37 37 ASN CA C 13 51.526 . . . . . . . . 36 Asn CA . 19336 1 153 . 1 1 37 37 ASN CB C 13 39.449 . . . . . . . . 36 Asn CB . 19336 1 154 . 1 1 37 37 ASN N N 15 120.209 . . . . . . . . 36 Asn N . 19336 1 155 . 1 1 38 38 PRO C C 13 176.610 . . . . . . . . 37 Pro CA . 19336 1 156 . 1 1 38 38 PRO CB C 13 32.302 . . . . . . . . 37 Pro N . 19336 1 157 . 1 1 39 39 ALA H H 1 8.075 . . . . . . . . 38 Ala H . 19336 1 158 . 1 1 39 39 ALA C C 13 177.942 . . . . . . . . 38 Ala C . 19336 1 159 . 1 1 39 39 ALA CA C 13 53.501 . . . . . . . . 38 Ala CA . 19336 1 160 . 1 1 39 39 ALA CB C 13 19.296 . . . . . . . . 38 Ala CB . 19336 1 161 . 1 1 39 39 ALA N N 15 120.629 . . . . . . . . 38 Ala N . 19336 1 162 . 1 1 40 40 VAL H H 1 7.624 . . . . . . . . 39 Val H . 19336 1 163 . 1 1 40 40 VAL C C 13 176.363 . . . . . . . . 39 Val C . 19336 1 164 . 1 1 40 40 VAL CA C 13 63.282 . . . . . . . . 39 Val CA . 19336 1 165 . 1 1 40 40 VAL CB C 13 32.634 . . . . . . . . 39 Val CB . 19336 1 166 . 1 1 40 40 VAL N N 15 115.992 . . . . . . . . 39 Val N . 19336 1 167 . 1 1 41 41 VAL H H 1 7.703 . . . . . . . . 40 Val H . 19336 1 168 . 1 1 41 41 VAL C C 13 175.895 . . . . . . . . 40 Val C . 19336 1 169 . 1 1 41 41 VAL CA C 13 63.439 . . . . . . . . 40 Val CA . 19336 1 170 . 1 1 41 41 VAL CB C 13 32.624 . . . . . . . . 40 Val CB . 19336 1 171 . 1 1 41 41 VAL N N 15 120.114 . . . . . . . . 40 Val N . 19336 1 172 . 1 1 42 42 PHE H H 1 7.939 . . . . . . . . 41 Phe H . 19336 1 173 . 1 1 42 42 PHE C C 13 175.886 . . . . . . . . 41 Phe C . 19336 1 174 . 1 1 42 42 PHE CA C 13 58.594 . . . . . . . . 41 Phe CA . 19336 1 175 . 1 1 42 42 PHE CB C 13 39.765 . . . . . . . . 41 Phe CB . 19336 1 176 . 1 1 42 42 PHE N N 15 120.280 . . . . . . . . 41 Phe N . 19336 1 177 . 1 1 43 43 VAL H H 1 7.795 . . . . . . . . 42 Val H . 19336 1 178 . 1 1 43 43 VAL C C 13 176.121 . . . . . . . . 42 Val C . 19336 1 179 . 1 1 43 43 VAL CA C 13 63.111 . . . . . . . . 42 Val CA . 19336 1 180 . 1 1 43 43 VAL CB C 13 32.707 . . . . . . . . 42 Val CB . 19336 1 181 . 1 1 43 43 VAL N N 15 118.186 . . . . . . . . 42 Val N . 19336 1 182 . 1 1 44 44 THR H H 1 7.967 . . . . . . . . 43 Thr H . 19336 1 183 . 1 1 44 44 THR C C 13 174.889 . . . . . . . . 43 Thr C . 19336 1 184 . 1 1 44 44 THR CA C 13 62.256 . . . . . . . . 43 Thr CA . 19336 1 185 . 1 1 44 44 THR CB C 13 70.028 . . . . . . . . 43 Thr CB . 19336 1 186 . 1 1 44 44 THR N N 15 114.524 . . . . . . . . 43 Thr N . 19336 1 187 . 1 1 45 45 ARG H H 1 8.120 . . . . . . . . 44 Arg H . 19336 1 188 . 1 1 45 45 ARG C C 13 176.569 . . . . . . . . 44 Arg C . 19336 1 189 . 1 1 45 45 ARG CA C 13 57.058 . . . . . . . . 44 Arg CA . 19336 1 190 . 1 1 45 45 ARG CB C 13 30.590 . . . . . . . . 44 Arg CB . 19336 1 191 . 1 1 45 45 ARG N N 15 121.417 . . . . . . . . 44 Arg N . 19336 1 192 . 1 1 46 46 LYS H H 1 8.036 . . . . . . . . 45 Lys H . 19336 1 193 . 1 1 46 46 LYS C C 13 176.277 . . . . . . . . 45 Lys C . 19336 1 194 . 1 1 46 46 LYS CA C 13 57.024 . . . . . . . . 45 Lys CA . 19336 1 195 . 1 1 46 46 LYS CB C 13 32.708 . . . . . . . . 45 Lys CB . 19336 1 196 . 1 1 46 46 LYS N N 15 119.563 . . . . . . . . 45 Lys N . 19336 1 197 . 1 1 47 47 ASN H H 1 8.044 . . . . . . . . 46 Asn H . 19336 1 198 . 1 1 47 47 ASN C C 13 174.932 . . . . . . . . 46 Asn C . 19336 1 199 . 1 1 47 47 ASN CA C 13 53.602 . . . . . . . . 46 Asn CA . 19336 1 200 . 1 1 47 47 ASN CB C 13 38.940 . . . . . . . . 46 Asn CB . 19336 1 201 . 1 1 47 47 ASN N N 15 117.512 . . . . . . . . 46 Asn N . 19336 1 202 . 1 1 48 48 ARG H H 1 8.016 . . . . . . . . 47 Arg H . 19336 1 203 . 1 1 48 48 ARG C C 13 175.923 . . . . . . . . 47 Arg C . 19336 1 204 . 1 1 48 48 ARG CA C 13 56.662 . . . . . . . . 47 Arg CA . 19336 1 205 . 1 1 48 48 ARG CB C 13 30.753 . . . . . . . . 47 Arg CB . 19336 1 206 . 1 1 48 48 ARG N N 15 119.816 . . . . . . . . 47 Arg N . 19336 1 207 . 1 1 49 49 GLN H H 1 8.191 . . . . . . . . 48 Gln H . 19336 1 208 . 1 1 49 49 GLN C C 13 175.968 . . . . . . . . 48 Gln C . 19336 1 209 . 1 1 49 49 GLN CA C 13 56.120 . . . . . . . . 48 Gln CA . 19336 1 210 . 1 1 49 49 GLN CB C 13 29.754 . . . . . . . . 48 Gln CB . 19336 1 211 . 1 1 49 49 GLN N N 15 120.120 . . . . . . . . 48 Gln N . 19336 1 212 . 1 1 50 50 VAL H H 1 8.029 . . . . . . . . 49 Val H . 19336 1 213 . 1 1 50 50 VAL CA C 13 62.713 . . . . . . . . 49 Val CA . 19336 1 214 . 1 1 50 50 VAL C C 13 175.751 . . . . . . . . 49 Val CB . 19336 1 215 . 1 1 50 50 VAL N N 15 119.420 . . . . . . . . 49 Val N . 19336 1 216 . 1 1 51 51 CYS H H 1 8.203 . . . . . . . . 50 Cys H . 19336 1 217 . 1 1 51 51 CYS C C 13 173.734 . . . . . . . . 50 Cys C . 19336 1 218 . 1 1 51 51 CYS CA C 13 55.256 . . . . . . . . 50 Cys CA . 19336 1 219 . 1 1 51 51 CYS CB C 13 41.651 . . . . . . . . 50 Cys CB . 19336 1 220 . 1 1 51 51 CYS N N 15 120.125 . . . . . . . . 50 Cys N . 19336 1 221 . 1 1 52 52 ALA H H 1 8.146 . . . . . . . . 51 Ala H . 19336 1 222 . 1 1 52 52 ALA C C 13 176.404 . . . . . . . . 51 Ala C . 19336 1 223 . 1 1 52 52 ALA CA C 13 52.280 . . . . . . . . 51 Ala CA . 19336 1 224 . 1 1 52 52 ALA CB C 13 20.041 . . . . . . . . 51 Ala CB . 19336 1 225 . 1 1 52 52 ALA N N 15 124.050 . . . . . . . . 51 Ala N . 19336 1 226 . 1 1 53 53 ASN H H 1 8.261 . . . . . . . . 52 Asn H . 19336 1 227 . 1 1 53 53 ASN CA C 13 52.374 . . . . . . . . 52 Asn CA . 19336 1 228 . 1 1 53 53 ASN CB C 13 39.028 . . . . . . . . 52 Asn CB . 19336 1 229 . 1 1 53 53 ASN N N 15 118.021 . . . . . . . . 52 Asn N . 19336 1 230 . 1 1 54 54 PRO CB C 13 31.847 . . . . . . . . 53 Pro N . 19336 1 231 . 1 1 55 55 GLU H H 1 7.833 . . . . . . . . 54 Glu H . 19336 1 232 . 1 1 55 55 GLU C C 13 176.832 . . . . . . . . 54 Glu C . 19336 1 233 . 1 1 55 55 GLU CA C 13 57.362 . . . . . . . . 54 Glu CA . 19336 1 234 . 1 1 55 55 GLU CB C 13 29.106 . . . . . . . . 54 Glu CB . 19336 1 235 . 1 1 55 55 GLU N N 15 117.825 . . . . . . . . 54 Glu N . 19336 1 236 . 1 1 56 56 LYS H H 1 8.141 . . . . . . . . 55 Lys H . 19336 1 237 . 1 1 56 56 LYS C C 13 177.655 . . . . . . . . 55 Lys C . 19336 1 238 . 1 1 56 56 LYS CA C 13 58.610 . . . . . . . . 55 Lys CA . 19336 1 239 . 1 1 56 56 LYS CB C 13 32.729 . . . . . . . . 55 Lys CB . 19336 1 240 . 1 1 56 56 LYS N N 15 120.270 . . . . . . . . 55 Lys N . 19336 1 241 . 1 1 57 57 LYS H H 1 8.035 . . . . . . . . 56 Lys H . 19336 1 242 . 1 1 57 57 LYS CA C 13 58.856 . . . . . . . . 56 Lys CA . 19336 1 243 . 1 1 57 57 LYS CB C 13 32.708 . . . . . . . . 56 Lys CB . 19336 1 244 . 1 1 57 57 LYS N N 15 119.435 . . . . . . . . 56 Lys N . 19336 1 245 . 1 1 58 58 TRP CA C 13 59.402 . . . . . . . . 57 Trp H . 19336 1 246 . 1 1 58 58 TRP C C 13 177.913 . . . . . . . . 57 Trp CA . 19336 1 247 . 1 1 58 58 TRP CB C 13 29.298 . . . . . . . . 57 Trp N . 19336 1 248 . 1 1 59 59 VAL H H 1 7.620 . . . . . . . . 58 Val H . 19336 1 249 . 1 1 59 59 VAL C C 13 177.268 . . . . . . . . 58 Val C . 19336 1 250 . 1 1 59 59 VAL CA C 13 66.285 . . . . . . . . 58 Val CA . 19336 1 251 . 1 1 59 59 VAL CB C 13 31.731 . . . . . . . . 58 Val CB . 19336 1 252 . 1 1 59 59 VAL N N 15 118.183 . . . . . . . . 58 Val N . 19336 1 253 . 1 1 60 60 ARG H H 1 7.816 . . . . . . . . 59 Arg H . 19336 1 254 . 1 1 60 60 ARG C C 13 177.939 . . . . . . . . 59 Arg C . 19336 1 255 . 1 1 60 60 ARG CA C 13 59.278 . . . . . . . . 59 Arg CA . 19336 1 256 . 1 1 60 60 ARG CB C 13 29.977 . . . . . . . . 59 Arg CB . 19336 1 257 . 1 1 60 60 ARG N N 15 118.654 . . . . . . . . 59 Arg N . 19336 1 258 . 1 1 61 61 GLU H H 1 7.977 . . . . . . . . 60 Glu H . 19336 1 259 . 1 1 61 61 GLU C C 13 178.310 . . . . . . . . 60 Glu C . 19336 1 260 . 1 1 61 61 GLU CA C 13 58.851 . . . . . . . . 60 Glu CA . 19336 1 261 . 1 1 61 61 GLU CB C 13 28.635 . . . . . . . . 60 Glu CB . 19336 1 262 . 1 1 61 61 GLU N N 15 117.232 . . . . . . . . 60 Glu N . 19336 1 263 . 1 1 62 62 TYR H H 1 8.019 . . . . . . . . 61 Tyr H . 19336 1 264 . 1 1 62 62 TYR C C 13 178.021 . . . . . . . . 61 Tyr C . 19336 1 265 . 1 1 62 62 TYR CA C 13 61.274 . . . . . . . . 61 Tyr CA . 19336 1 266 . 1 1 62 62 TYR CB C 13 38.838 . . . . . . . . 61 Tyr CB . 19336 1 267 . 1 1 62 62 TYR N N 15 119.359 . . . . . . . . 61 Tyr N . 19336 1 268 . 1 1 63 63 ILE H H 1 8.124 . . . . . . . . 62 Ile H . 19336 1 269 . 1 1 63 63 ILE C C 13 177.519 . . . . . . . . 62 Ile C . 19336 1 270 . 1 1 63 63 ILE CA C 13 64.049 . . . . . . . . 62 Ile CA . 19336 1 271 . 1 1 63 63 ILE CB C 13 37.558 . . . . . . . . 62 Ile CB . 19336 1 272 . 1 1 63 63 ILE N N 15 118.196 . . . . . . . . 62 Ile N . 19336 1 273 . 1 1 64 64 ASN H H 1 8.114 . . . . . . . . 63 Asn H . 19336 1 274 . 1 1 64 64 ASN C C 13 176.747 . . . . . . . . 63 Asn C . 19336 1 275 . 1 1 64 64 ASN CA C 13 55.485 . . . . . . . . 63 Asn CA . 19336 1 276 . 1 1 64 64 ASN CB C 13 38.726 . . . . . . . . 63 Asn CB . 19336 1 277 . 1 1 64 64 ASN N N 15 118.209 . . . . . . . . 63 Asn N . 19336 1 278 . 1 1 65 65 SER H H 1 7.822 . . . . . . . . 64 Ser H . 19336 1 279 . 1 1 65 65 SER C C 13 174.777 . . . . . . . . 64 Ser C . 19336 1 280 . 1 1 65 65 SER CA C 13 60.267 . . . . . . . . 64 Ser CA . 19336 1 281 . 1 1 65 65 SER CB C 13 63.766 . . . . . . . . 64 Ser CB . 19336 1 282 . 1 1 65 65 SER N N 15 114.565 . . . . . . . . 64 Ser N . 19336 1 283 . 1 1 66 66 LEU H H 1 7.556 . . . . . . . . 65 Leu H . 19336 1 284 . 1 1 66 66 LEU C C 13 176.804 . . . . . . . . 65 Leu C . 19336 1 285 . 1 1 66 66 LEU CA C 13 55.846 . . . . . . . . 65 Leu CA . 19336 1 286 . 1 1 66 66 LEU CB C 13 42.543 . . . . . . . . 65 Leu CB . 19336 1 287 . 1 1 66 66 LEU N N 15 121.528 . . . . . . . . 65 Leu N . 19336 1 288 . 1 1 67 67 SER H H 1 7.837 . . . . . . . . 66 Ser H . 19336 1 289 . 1 1 67 67 SER C C 13 174.246 . . . . . . . . 66 Ser C . 19336 1 290 . 1 1 67 67 SER CA C 13 58.662 . . . . . . . . 66 Ser CA . 19336 1 291 . 1 1 67 67 SER CB C 13 64.138 . . . . . . . . 66 Ser CB . 19336 1 292 . 1 1 67 67 SER N N 15 113.399 . . . . . . . . 66 Ser N . 19336 1 293 . 1 1 68 68 MET H H 1 8.037 . . . . . . . . 67 Met H . 19336 1 294 . 1 1 68 68 MET C C 13 175.268 . . . . . . . . 67 Met C . 19336 1 295 . 1 1 68 68 MET CA C 13 55.697 . . . . . . . . 67 Met CA . 19336 1 296 . 1 1 68 68 MET CB C 13 33.552 . . . . . . . . 67 Met CB . 19336 1 297 . 1 1 68 68 MET N N 15 120.895 . . . . . . . . 67 Met N . 19336 1 298 . 1 1 69 69 SER H H 1 7.848 . . . . . . . . 68 Ser H . 19336 1 299 . 1 1 69 69 SER CA C 13 59.397 . . . . . . . . 68 Ser CA . 19336 1 300 . 1 1 69 69 SER CB C 13 64.859 . . . . . . . . 68 Ser CB . 19336 1 301 . 1 1 69 69 SER N N 15 119.147 . . . . . . . . 68 Ser N . 19336 1 stop_ save_