################################### # 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 26764 _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' . . . 26764 1 2 '3D CBCA(CO)NH' . . . 26764 1 3 '3D HNCACB' . . . 26764 1 4 '3D HNCO' . . . 26764 1 5 '3D HBHA(CO)NH' . . . 26764 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 ARG HA H 1 4.145 . . 1 . . . . 3 ARG HA . 26764 1 2 . 1 1 4 4 GLN H H 1 8.374 . . 1 . . . . 4 GLN H . 26764 1 3 . 1 1 4 4 GLN HA H 1 4.245 . . 1 . . . . 4 GLN HA . 26764 1 4 . 1 1 4 4 GLN C C 13 175.731 . . 1 . . . . 4 GLN C . 26764 1 5 . 1 1 4 4 GLN CA C 13 56.404 . . 1 . . . . 4 GLN CA . 26764 1 6 . 1 1 4 4 GLN CB C 13 29.316 . . 1 . . . . 4 GLN CB . 26764 1 7 . 1 1 4 4 GLN N N 15 120.331 . . 1 . . . . 4 GLN N . 26764 1 8 . 1 1 5 5 ALA H H 1 8.242 . . 1 . . . . 5 ALA H . 26764 1 9 . 1 1 5 5 ALA HA H 1 4.175 . . 1 . . . . 5 ALA HA . 26764 1 10 . 1 1 5 5 ALA C C 13 177.291 . . 1 . . . . 5 ALA C . 26764 1 11 . 1 1 5 5 ALA CA C 13 52.947 . . 1 . . . . 5 ALA CA . 26764 1 12 . 1 1 5 5 ALA CB C 13 19.309 . . 1 . . . . 5 ALA CB . 26764 1 13 . 1 1 5 5 ALA N N 15 124.665 . . 1 . . . . 5 ALA N . 26764 1 14 . 1 1 6 6 TRP H H 1 7.945 . . 1 . . . . 6 TRP H . 26764 1 15 . 1 1 6 6 TRP HA H 1 4.662 . . 1 . . . . 6 TRP HA . 26764 1 16 . 1 1 6 6 TRP C C 13 175.957 . . 1 . . . . 6 TRP C . 26764 1 17 . 1 1 6 6 TRP CA C 13 57.040 . . 1 . . . . 6 TRP CA . 26764 1 18 . 1 1 6 6 TRP CB C 13 29.529 . . 1 . . . . 6 TRP CB . 26764 1 19 . 1 1 6 6 TRP N N 15 119.070 . . 1 . . . . 6 TRP N . 26764 1 20 . 1 1 7 7 LEU H H 1 7.867 . . 1 . . . . 7 LEU H . 26764 1 21 . 1 1 7 7 LEU HA H 1 4.248 . . 1 . . . . 7 LEU HA . 26764 1 22 . 1 1 7 7 LEU C C 13 176.729 . . 1 . . . . 7 LEU C . 26764 1 23 . 1 1 7 7 LEU CA C 13 55.344 . . 1 . . . . 7 LEU CA . 26764 1 24 . 1 1 7 7 LEU CB C 13 42.506 . . 1 . . . . 7 LEU CB . 26764 1 25 . 1 1 7 7 LEU N N 15 123.467 . . 1 . . . . 7 LEU N . 26764 1 26 . 1 1 8 8 TRP H H 1 7.872 . . 1 . . . . 8 TRP H . 26764 1 27 . 1 1 8 8 TRP HA H 1 4.658 . . 1 . . . . 8 TRP HA . 26764 1 28 . 1 1 8 8 TRP C C 13 176.152 . . 1 . . . . 8 TRP C . 26764 1 29 . 1 1 8 8 TRP CA C 13 57.378 . . 1 . . . . 8 TRP CA . 26764 1 30 . 1 1 8 8 TRP CB C 13 29.666 . . 1 . . . . 8 TRP CB . 26764 1 31 . 1 1 8 8 TRP N N 15 120.946 . . 1 . . . . 8 TRP N . 26764 1 32 . 1 1 9 9 GLU H H 1 8.165 . . 1 . . . . 9 GLU H . 26764 1 33 . 1 1 9 9 GLU HA H 1 4.246 . . 1 . . . . 9 GLU HA . 26764 1 34 . 1 1 9 9 GLU C C 13 176.231 . . 1 . . . . 9 GLU C . 26764 1 35 . 1 1 9 9 GLU CA C 13 56.837 . . 1 . . . . 9 GLU CA . 26764 1 36 . 1 1 9 9 GLU CB C 13 30.725 . . 1 . . . . 9 GLU CB . 26764 1 37 . 1 1 9 9 GLU N N 15 122.169 . . 1 . . . . 9 GLU N . 26764 1 38 . 1 1 10 10 GLU H H 1 8.233 . . 1 . . . . 10 GLU H . 26764 1 39 . 1 1 10 10 GLU HA H 1 4.191 . . 1 . . . . 10 GLU HA . 26764 1 40 . 1 1 10 10 GLU C C 13 176.309 . . 1 . . . . 10 GLU C . 26764 1 41 . 1 1 10 10 GLU CA C 13 56.874 . . 1 . . . . 10 GLU CA . 26764 1 42 . 1 1 10 10 GLU CB C 13 30.671 . . 1 . . . . 10 GLU CB . 26764 1 43 . 1 1 10 10 GLU N N 15 121.499 . . 1 . . . . 10 GLU N . 26764 1 44 . 1 1 11 11 ASP H H 1 8.363 . . 1 . . . . 11 ASP H . 26764 1 45 . 1 1 11 11 ASP HA H 1 4.599 . . 1 . . . . 11 ASP HA . 26764 1 46 . 1 1 11 11 ASP C C 13 176.942 . . 1 . . . . 11 ASP C . 26764 1 47 . 1 1 11 11 ASP CA C 13 54.639 . . 1 . . . . 11 ASP CA . 26764 1 48 . 1 1 11 11 ASP CB C 13 41.421 . . 1 . . . . 11 ASP CB . 26764 1 49 . 1 1 11 11 ASP N N 15 121.456 . . 1 . . . . 11 ASP N . 26764 1 50 . 1 1 12 12 LYS H H 1 8.297 . . 1 . . . . 12 LYS H . 26764 1 51 . 1 1 12 12 LYS HA H 1 4.220 . . 1 . . . . 12 LYS HA . 26764 1 52 . 1 1 12 12 LYS C C 13 176.888 . . 1 . . . . 12 LYS C . 26764 1 53 . 1 1 12 12 LYS CA C 13 57.274 . . 1 . . . . 12 LYS CA . 26764 1 54 . 1 1 12 12 LYS CB C 13 32.717 . . 1 . . . . 12 LYS CB . 26764 1 55 . 1 1 12 12 LYS N N 15 122.246 . . 1 . . . . 12 LYS N . 26764 1 56 . 1 1 13 13 ASN H H 1 8.454 . . 1 . . . . 13 ASN H . 26764 1 57 . 1 1 13 13 ASN HA H 1 4.721 . . 1 . . . . 13 ASN HA . 26764 1 58 . 1 1 13 13 ASN CA C 13 53.819 . . 1 . . . . 13 ASN CA . 26764 1 59 . 1 1 13 13 ASN CB C 13 38.898 . . 1 . . . . 13 ASN CB . 26764 1 60 . 1 1 13 13 ASN N N 15 118.113 . . 1 . . . . 13 ASN N . 26764 1 61 . 1 1 14 14 LEU H H 1 7.988 . . 1 . . . . 14 LEU H . 26764 1 62 . 1 1 14 14 LEU HA H 1 4.318 . . 1 . . . . 14 LEU HA . 26764 1 63 . 1 1 14 14 LEU C C 13 177.544 . . 1 . . . . 14 LEU C . 26764 1 64 . 1 1 14 14 LEU CA C 13 55.862 . . 1 . . . . 14 LEU CA . 26764 1 65 . 1 1 14 14 LEU CB C 13 42.334 . . 1 . . . . 14 LEU CB . 26764 1 66 . 1 1 14 14 LEU N N 15 121.629 . . 1 . . . . 14 LEU N . 26764 1 67 . 1 1 15 15 ARG H H 1 8.265 . . 1 . . . . 15 ARG H . 26764 1 68 . 1 1 15 15 ARG HA H 1 4.393 . . 1 . . . . 15 ARG HA . 26764 1 69 . 1 1 15 15 ARG C C 13 176.452 . . 1 . . . . 15 ARG C . 26764 1 70 . 1 1 15 15 ARG CA C 13 56.320 . . 1 . . . . 15 ARG CA . 26764 1 71 . 1 1 15 15 ARG CB C 13 30.744 . . 1 . . . . 15 ARG CB . 26764 1 72 . 1 1 15 15 ARG N N 15 120.789 . . 1 . . . . 15 ARG N . 26764 1 73 . 1 1 16 16 SER H H 1 8.217 . . 1 . . . . 16 SER H . 26764 1 74 . 1 1 16 16 SER HA H 1 4.493 . . 1 . . . . 16 SER HA . 26764 1 75 . 1 1 16 16 SER C C 13 175.060 . . 1 . . . . 16 SER C . 26764 1 76 . 1 1 16 16 SER CA C 13 58.604 . . 1 . . . . 16 SER CA . 26764 1 77 . 1 1 16 16 SER CB C 13 63.997 . . 1 . . . . 16 SER CB . 26764 1 78 . 1 1 16 16 SER N N 15 116.004 . . 1 . . . . 16 SER N . 26764 1 79 . 1 1 17 17 GLY H H 1 8.388 . . 1 . . . . 17 GLY H . 26764 1 80 . 1 1 17 17 GLY HA2 H 1 4.052 . . 1 . . . . 17 GLY HA . 26764 1 81 . 1 1 17 17 GLY HA3 H 1 4.052 . . 1 . . . . 17 GLY HA . 26764 1 82 . 1 1 17 17 GLY C C 13 173.969 . . 1 . . . . 17 GLY C . 26764 1 83 . 1 1 17 17 GLY CA C 13 45.472 . . 1 . . . . 17 GLY CA . 26764 1 84 . 1 1 17 17 GLY N N 15 110.657 . . 1 . . . . 17 GLY N . 26764 1 85 . 1 1 18 18 VAL H H 1 7.933 . . 1 . . . . 18 VAL H . 26764 1 86 . 1 1 18 18 VAL HA H 1 4.146 . . 1 . . . . 18 VAL HA . 26764 1 87 . 1 1 18 18 VAL C C 13 176.027 . . 1 . . . . 18 VAL C . 26764 1 88 . 1 1 18 18 VAL CA C 13 62.400 . . 1 . . . . 18 VAL CA . 26764 1 89 . 1 1 18 18 VAL CB C 13 32.926 . . 1 . . . . 18 VAL CB . 26764 1 90 . 1 1 18 18 VAL N N 15 119.122 . . 1 . . . . 18 VAL N . 26764 1 91 . 1 1 19 19 ARG H H 1 8.373 . . 1 . . . . 19 ARG H . 26764 1 92 . 1 1 19 19 ARG HA H 1 4.357 . . 1 . . . . 19 ARG HA . 26764 1 93 . 1 1 19 19 ARG C C 13 175.868 . . 1 . . . . 19 ARG C . 26764 1 94 . 1 1 19 19 ARG CA C 13 56.003 . . 1 . . . . 19 ARG CA . 26764 1 95 . 1 1 19 19 ARG CB C 13 31.052 . . 1 . . . . 19 ARG CB . 26764 1 96 . 1 1 19 19 ARG N N 15 124.947 . . 1 . . . . 19 ARG N . 26764 1 97 . 1 1 20 20 LYS H H 1 8.329 . . 1 . . . . 20 LYS H . 26764 1 98 . 1 1 20 20 LYS HA H 1 4.323 . . 1 . . . . 20 LYS HA . 26764 1 99 . 1 1 20 20 LYS C C 13 176.114 . . 1 . . . . 20 LYS C . 26764 1 100 . 1 1 20 20 LYS CA C 13 56.204 . . 1 . . . . 20 LYS CA . 26764 1 101 . 1 1 20 20 LYS CB C 13 33.506 . . 1 . . . . 20 LYS CB . 26764 1 102 . 1 1 20 20 LYS N N 15 123.125 . . 1 . . . . 20 LYS N . 26764 1 103 . 1 1 21 21 TYR H H 1 8.305 . . 1 . . . . 21 TYR H . 26764 1 104 . 1 1 21 21 TYR HA H 1 4.582 . . 1 . . . . 21 TYR HA . 26764 1 105 . 1 1 21 21 TYR C C 13 176.351 . . 1 . . . . 21 TYR C . 26764 1 106 . 1 1 21 21 TYR CA C 13 58.101 . . 1 . . . . 21 TYR CA . 26764 1 107 . 1 1 21 21 TYR CB C 13 39.085 . . 1 . . . . 21 TYR CB . 26764 1 108 . 1 1 21 21 TYR N N 15 121.462 . . 1 . . . . 21 TYR N . 26764 1 109 . 1 1 22 22 GLY H H 1 8.280 . . 1 . . . . 22 GLY H . 26764 1 110 . 1 1 22 22 GLY HA2 H 1 3.945 . . 1 . . . . 22 GLY HA . 26764 1 111 . 1 1 22 22 GLY HA3 H 1 3.945 . . 1 . . . . 22 GLY HA . 26764 1 112 . 1 1 22 22 GLY C C 13 173.885 . . 1 . . . . 22 GLY C . 26764 1 113 . 1 1 22 22 GLY CA C 13 45.361 . . 1 . . . . 22 GLY CA . 26764 1 114 . 1 1 22 22 GLY N N 15 110.602 . . 1 . . . . 22 GLY N . 26764 1 115 . 1 1 23 23 GLU H H 1 8.245 . . 1 . . . . 23 GLU H . 26764 1 116 . 1 1 23 23 GLU HA H 1 4.342 . . 1 . . . . 23 GLU HA . 26764 1 117 . 1 1 23 23 GLU C C 13 176.941 . . 1 . . . . 23 GLU C . 26764 1 118 . 1 1 23 23 GLU CA C 13 56.762 . . 1 . . . . 23 GLU CA . 26764 1 119 . 1 1 23 23 GLU CB C 13 30.644 . . 1 . . . . 23 GLU CB . 26764 1 120 . 1 1 23 23 GLU N N 15 120.441 . . 1 . . . . 23 GLU N . 26764 1 121 . 1 1 24 24 GLY H H 1 8.329 . . 1 . . . . 24 GLY H . 26764 1 122 . 1 1 24 24 GLY HA2 H 1 3.865 . . 1 . . . . 24 GLY HA . 26764 1 123 . 1 1 24 24 GLY HA3 H 1 3.865 . . 1 . . . . 24 GLY HA . 26764 1 124 . 1 1 24 24 GLY C C 13 173.841 . . 1 . . . . 24 GLY C . 26764 1 125 . 1 1 24 24 GLY CA C 13 45.404 . . 1 . . . . 24 GLY CA . 26764 1 126 . 1 1 24 24 GLY N N 15 109.365 . . 1 . . . . 24 GLY N . 26764 1 127 . 1 1 25 25 ASN H H 1 8.248 . . 1 . . . . 25 ASN H . 26764 1 128 . 1 1 25 25 ASN HA H 1 4.714 . . 1 . . . . 25 ASN HA . 26764 1 129 . 1 1 25 25 ASN CA C 13 53.360 . . 1 . . . . 25 ASN CA . 26764 1 130 . 1 1 25 25 ASN CB C 13 38.827 . . 1 . . . . 25 ASN CB . 26764 1 131 . 1 1 25 25 ASN N N 15 118.742 . . 1 . . . . 25 ASN N . 26764 1 132 . 1 1 26 26 TRP H H 1 8.073 . . 1 . . . . 26 TRP H . 26764 1 133 . 1 1 26 26 TRP HA H 1 4.681 . . 1 . . . . 26 TRP HA . 26764 1 134 . 1 1 26 26 TRP C C 13 176.370 . . 1 . . . . 26 TRP C . 26764 1 135 . 1 1 26 26 TRP CA C 13 57.678 . . 1 . . . . 26 TRP CA . 26764 1 136 . 1 1 26 26 TRP CB C 13 29.628 . . 1 . . . . 26 TRP CB . 26764 1 137 . 1 1 26 26 TRP N N 15 121.257 . . 1 . . . . 26 TRP N . 26764 1 138 . 1 1 27 27 SER H H 1 8.079 . . 1 . . . . 27 SER H . 26764 1 139 . 1 1 27 27 SER HA H 1 3.787 . . 1 . . . . 27 SER HA . 26764 1 140 . 1 1 27 27 SER C C 13 174.550 . . 1 . . . . 27 SER C . 26764 1 141 . 1 1 27 27 SER CA C 13 58.800 . . 1 . . . . 27 SER CA . 26764 1 142 . 1 1 27 27 SER CB C 13 63.741 . . 1 . . . . 27 SER CB . 26764 1 143 . 1 1 27 27 SER N N 15 116.307 . . 1 . . . . 27 SER N . 26764 1 144 . 1 1 28 28 LYS H H 1 8.115 . . 1 . . . . 28 LYS H . 26764 1 145 . 1 1 28 28 LYS HA H 1 4.291 . . 1 . . . . 28 LYS HA . 26764 1 146 . 1 1 28 28 LYS C C 13 176.482 . . 1 . . . . 28 LYS C . 26764 1 147 . 1 1 28 28 LYS CA C 13 56.831 . . 1 . . . . 28 LYS CA . 26764 1 148 . 1 1 28 28 LYS CB C 13 33.100 . . 1 . . . . 28 LYS CB . 26764 1 149 . 1 1 28 28 LYS N N 15 122.726 . . 1 . . . . 28 LYS N . 26764 1 150 . 1 1 29 29 ILE H H 1 7.962 . . 1 . . . . 29 ILE H . 26764 1 151 . 1 1 29 29 ILE HA H 1 4.136 . . 1 . . . . 29 ILE HA . 26764 1 152 . 1 1 29 29 ILE C C 13 176.009 . . 1 . . . . 29 ILE C . 26764 1 153 . 1 1 29 29 ILE CA C 13 61.419 . . 1 . . . . 29 ILE CA . 26764 1 154 . 1 1 29 29 ILE CB C 13 38.771 . . 1 . . . . 29 ILE CB . 26764 1 155 . 1 1 29 29 ILE N N 15 120.896 . . 1 . . . . 29 ILE N . 26764 1 156 . 1 1 30 30 LEU H H 1 8.153 . . 1 . . . . 30 LEU H . 26764 1 157 . 1 1 30 30 LEU HA H 1 4.371 . . 1 . . . . 30 LEU HA . 26764 1 158 . 1 1 30 30 LEU C C 13 176.935 . . 1 . . . . 30 LEU C . 26764 1 159 . 1 1 30 30 LEU CA C 13 55.083 . . 1 . . . . 30 LEU CA . 26764 1 160 . 1 1 30 30 LEU CB C 13 42.323 . . 1 . . . . 30 LEU CB . 26764 1 161 . 1 1 30 30 LEU N N 15 125.508 . . 1 . . . . 30 LEU N . 26764 1 162 . 1 1 31 31 LEU H H 1 8.096 . . 1 . . . . 31 LEU H . 26764 1 163 . 1 1 31 31 LEU HA H 1 4.307 . . 1 . . . . 31 LEU HA . 26764 1 164 . 1 1 31 31 LEU C C 13 176.941 . . 1 . . . . 31 LEU C . 26764 1 165 . 1 1 31 31 LEU CA C 13 55.188 . . 1 . . . . 31 LEU CA . 26764 1 166 . 1 1 31 31 LEU CB C 13 42.511 . . 1 . . . . 31 LEU CB . 26764 1 167 . 1 1 31 31 LEU N N 15 122.651 . . 1 . . . . 31 LEU N . 26764 1 168 . 1 1 32 32 HIS H H 1 8.239 . . 1 . . . . 32 HIS H . 26764 1 169 . 1 1 32 32 HIS HA H 1 4.635 . . 1 . . . . 32 HIS HA . 26764 1 170 . 1 1 32 32 HIS C C 13 175.109 . . 1 . . . . 32 HIS C . 26764 1 171 . 1 1 32 32 HIS CA C 13 56.023 . . 1 . . . . 32 HIS CA . 26764 1 172 . 1 1 32 32 HIS CB C 13 30.494 . . 1 . . . . 32 HIS CB . 26764 1 173 . 1 1 32 32 HIS N N 15 119.114 . . 1 . . . . 32 HIS N . 26764 1 174 . 1 1 33 33 TYR H H 1 8.033 . . 1 . . . . 33 TYR H . 26764 1 175 . 1 1 33 33 TYR HA H 1 4.533 . . 1 . . . . 33 TYR HA . 26764 1 176 . 1 1 33 33 TYR C C 13 175.516 . . 1 . . . . 33 TYR C . 26764 1 177 . 1 1 33 33 TYR CA C 13 57.678 . . 1 . . . . 33 TYR CA . 26764 1 178 . 1 1 33 33 TYR CB C 13 39.059 . . 1 . . . . 33 TYR CB . 26764 1 179 . 1 1 33 33 TYR N N 15 121.318 . . 1 . . . . 33 TYR N . 26764 1 180 . 1 1 34 34 LYS H H 1 8.217 . . 1 . . . . 34 LYS H . 26764 1 181 . 1 1 34 34 LYS HA H 1 4.270 . . 1 . . . . 34 LYS HA . 26764 1 182 . 1 1 34 34 LYS C C 13 175.925 . . 1 . . . . 34 LYS C . 26764 1 183 . 1 1 34 34 LYS CA C 13 56.408 . . 1 . . . . 34 LYS CA . 26764 1 184 . 1 1 34 34 LYS CB C 13 33.287 . . 1 . . . . 34 LYS CB . 26764 1 185 . 1 1 34 34 LYS N N 15 122.911 . . 1 . . . . 34 LYS N . 26764 1 186 . 1 1 35 35 PHE H H 1 8.124 . . 1 . . . . 35 PHE H . 26764 1 187 . 1 1 35 35 PHE HA H 1 4.652 . . 1 . . . . 35 PHE HA . 26764 1 188 . 1 1 35 35 PHE C C 13 175.452 . . 1 . . . . 35 PHE C . 26764 1 189 . 1 1 35 35 PHE CA C 13 57.625 . . 1 . . . . 35 PHE CA . 26764 1 190 . 1 1 35 35 PHE CB C 13 39.774 . . 1 . . . . 35 PHE CB . 26764 1 191 . 1 1 35 35 PHE N N 15 120.907 . . 1 . . . . 35 PHE N . 26764 1 192 . 1 1 36 36 ASN H H 1 8.403 . . 1 . . . . 36 ASN H . 26764 1 193 . 1 1 36 36 ASN HA H 1 4.737 . . 1 . . . . 36 ASN HA . 26764 1 194 . 1 1 36 36 ASN CA C 13 53.194 . . 1 . . . . 36 ASN CA . 26764 1 195 . 1 1 36 36 ASN CB C 13 39.285 . . 1 . . . . 36 ASN CB . 26764 1 196 . 1 1 36 36 ASN N N 15 120.470 . . 1 . . . . 36 ASN N . 26764 1 197 . 1 1 37 37 ASN H H 1 8.361 . . 1 . . . . 37 ASN H . 26764 1 198 . 1 1 37 37 ASN HA H 1 4.721 . . 1 . . . . 37 ASN HA . 26764 1 199 . 1 1 37 37 ASN CA C 13 53.422 . . 1 . . . . 37 ASN CA . 26764 1 200 . 1 1 37 37 ASN CB C 13 38.996 . . 1 . . . . 37 ASN CB . 26764 1 201 . 1 1 37 37 ASN N N 15 119.585 . . 1 . . . . 37 ASN N . 26764 1 202 . 1 1 38 38 ARG H H 1 8.337 . . 1 . . . . 38 ARG H . 26764 1 203 . 1 1 38 38 ARG HA H 1 4.439 . . 1 . . . . 38 ARG HA . 26764 1 204 . 1 1 38 38 ARG C C 13 176.511 . . 1 . . . . 38 ARG C . 26764 1 205 . 1 1 38 38 ARG CA C 13 56.562 . . 1 . . . . 38 ARG CA . 26764 1 206 . 1 1 38 38 ARG CB C 13 30.872 . . 1 . . . . 38 ARG CB . 26764 1 207 . 1 1 38 38 ARG N N 15 120.994 . . 1 . . . . 38 ARG N . 26764 1 208 . 1 1 39 39 THR H H 1 8.149 . . 1 . . . . 39 THR H . 26764 1 209 . 1 1 39 39 THR HA H 1 4.406 . . 1 . . . . 39 THR HA . 26764 1 210 . 1 1 39 39 THR C C 13 174.646 . . 1 . . . . 39 THR C . 26764 1 211 . 1 1 39 39 THR CA C 13 62.068 . . 1 . . . . 39 THR CA . 26764 1 212 . 1 1 39 39 THR CB C 13 69.852 . . 1 . . . . 39 THR CB . 26764 1 213 . 1 1 39 39 THR N N 15 114.494 . . 1 . . . . 39 THR N . 26764 1 214 . 1 1 40 40 SER H H 1 8.317 . . 1 . . . . 40 SER H . 26764 1 215 . 1 1 40 40 SER HA H 1 4.535 . . 1 . . . . 40 SER HA . 26764 1 216 . 1 1 40 40 SER C C 13 174.584 . . 1 . . . . 40 SER C . 26764 1 217 . 1 1 40 40 SER CA C 13 58.480 . . 1 . . . . 40 SER CA . 26764 1 218 . 1 1 40 40 SER CB C 13 63.948 . . 1 . . . . 40 SER CB . 26764 1 219 . 1 1 40 40 SER N N 15 118.016 . . 1 . . . . 40 SER N . 26764 1 220 . 1 1 41 41 VAL H H 1 8.100 . . 1 . . . . 41 VAL H . 26764 1 221 . 1 1 41 41 VAL HA H 1 4.167 . . 1 . . . . 41 VAL HA . 26764 1 222 . 1 1 41 41 VAL C C 13 175.951 . . 1 . . . . 41 VAL C . 26764 1 223 . 1 1 41 41 VAL CA C 13 62.525 . . 1 . . . . 41 VAL CA . 26764 1 224 . 1 1 41 41 VAL CB C 13 32.874 . . 1 . . . . 41 VAL CB . 26764 1 225 . 1 1 41 41 VAL N N 15 121.402 . . 1 . . . . 41 VAL N . 26764 1 226 . 1 1 42 42 MET H H 1 8.371 . . 1 . . . . 42 MET H . 26764 1 227 . 1 1 42 42 MET HA H 1 4.518 . . 1 . . . . 42 MET HA . 26764 1 228 . 1 1 42 42 MET CA C 13 55.566 . . 1 . . . . 42 MET CA . 26764 1 229 . 1 1 42 42 MET CB C 13 33.040 . . 1 . . . . 42 MET CB . 26764 1 230 . 1 1 42 42 MET N N 15 123.677 . . 1 . . . . 42 MET N . 26764 1 231 . 1 1 43 43 LEU H H 1 8.253 . . 1 . . . . 43 LEU H . 26764 1 232 . 1 1 43 43 LEU HA H 1 4.313 . . 1 . . . . 43 LEU HA . 26764 1 233 . 1 1 43 43 LEU C C 13 177.367 . . 1 . . . . 43 LEU C . 26764 1 234 . 1 1 43 43 LEU CA C 13 55.459 . . 1 . . . . 43 LEU CA . 26764 1 235 . 1 1 43 43 LEU CB C 13 42.455 . . 1 . . . . 43 LEU CB . 26764 1 236 . 1 1 43 43 LEU N N 15 124.019 . . 1 . . . . 43 LEU N . 26764 1 237 . 1 1 44 44 LYS H H 1 8.286 . . 1 . . . . 44 LYS H . 26764 1 238 . 1 1 44 44 LYS C C 13 176.315 . . 1 . . . . 44 LYS C . 26764 1 239 . 1 1 44 44 LYS CA C 13 56.957 . . 1 . . . . 44 LYS CA . 26764 1 240 . 1 1 44 44 LYS CB C 13 33.030 . . 1 . . . . 44 LYS CB . 26764 1 241 . 1 1 44 44 LYS N N 15 121.502 . . 1 . . . . 44 LYS N . 26764 1 242 . 1 1 45 45 ASP H H 1 8.271 . . 1 . . . . 45 ASP H . 26764 1 243 . 1 1 45 45 ASP HA H 1 4.609 . . 1 . . . . 45 ASP HA . 26764 1 244 . 1 1 45 45 ASP C C 13 176.527 . . 1 . . . . 45 ASP C . 26764 1 245 . 1 1 45 45 ASP CA C 13 54.577 . . 1 . . . . 45 ASP CA . 26764 1 246 . 1 1 45 45 ASP CB C 13 41.466 . . 1 . . . . 45 ASP CB . 26764 1 247 . 1 1 45 45 ASP N N 15 120.567 . . 1 . . . . 45 ASP N . 26764 1 248 . 1 1 46 46 ARG H H 1 8.174 . . 1 . . . . 46 ARG H . 26764 1 249 . 1 1 46 46 ARG HA H 1 4.200 . . 1 . . . . 46 ARG HA . 26764 1 250 . 1 1 46 46 ARG C C 13 176.298 . . 1 . . . . 46 ARG C . 26764 1 251 . 1 1 46 46 ARG CA C 13 56.978 . . 1 . . . . 46 ARG CA . 26764 1 252 . 1 1 46 46 ARG CB C 13 30.528 . . 1 . . . . 46 ARG CB . 26764 1 253 . 1 1 46 46 ARG N N 15 121.025 . . 1 . . . . 46 ARG N . 26764 1 254 . 1 1 47 47 TRP H H 1 8.063 . . 1 . . . . 47 TRP H . 26764 1 255 . 1 1 47 47 TRP HA H 1 4.697 . . 1 . . . . 47 TRP HA . 26764 1 256 . 1 1 47 47 TRP C C 13 176.327 . . 1 . . . . 47 TRP C . 26764 1 257 . 1 1 47 47 TRP CA C 13 57.274 . . 1 . . . . 47 TRP CA . 26764 1 258 . 1 1 47 47 TRP CB C 13 29.723 . . 1 . . . . 47 TRP CB . 26764 1 259 . 1 1 47 47 TRP N N 15 120.192 . . 1 . . . . 47 TRP N . 26764 1 260 . 1 1 48 48 ARG H H 1 7.966 . . 1 . . . . 48 ARG H . 26764 1 261 . 1 1 48 48 ARG HA H 1 4.320 . . 1 . . . . 48 ARG HA . 26764 1 262 . 1 1 48 48 ARG C C 13 176.333 . . 1 . . . . 48 ARG C . 26764 1 263 . 1 1 48 48 ARG CA C 13 56.579 . . 1 . . . . 48 ARG CA . 26764 1 264 . 1 1 48 48 ARG CB C 13 30.978 . . 1 . . . . 48 ARG CB . 26764 1 265 . 1 1 48 48 ARG N N 15 121.457 . . 1 . . . . 48 ARG N . 26764 1 266 . 1 1 49 49 THR H H 1 8.085 . . 1 . . . . 49 THR H . 26764 1 267 . 1 1 49 49 THR HA H 1 4.365 . . 1 . . . . 49 THR HA . 26764 1 268 . 1 1 49 49 THR C C 13 174.487 . . 1 . . . . 49 THR C . 26764 1 269 . 1 1 49 49 THR CA C 13 61.980 . . 1 . . . . 49 THR CA . 26764 1 270 . 1 1 49 49 THR CB C 13 69.822 . . 1 . . . . 49 THR CB . 26764 1 271 . 1 1 49 49 THR N N 15 114.097 . . 1 . . . . 49 THR N . 26764 1 272 . 1 1 50 50 MET H H 1 8.281 . . 1 . . . . 50 MET H . 26764 1 273 . 1 1 50 50 MET HA H 1 4.543 . . 1 . . . . 50 MET HA . 26764 1 274 . 1 1 50 50 MET CA C 13 55.639 . . 1 . . . . 50 MET CA . 26764 1 275 . 1 1 50 50 MET CB C 13 33.462 . . 1 . . . . 50 MET CB . 26764 1 276 . 1 1 50 50 MET N N 15 122.573 . . 1 . . . . 50 MET N . 26764 1 277 . 1 1 51 51 LYS H H 1 8.362 . . 1 . . . . 51 LYS H . 26764 1 278 . 1 1 51 51 LYS HA H 1 4.400 . . 1 . . . . 51 LYS HA . 26764 1 279 . 1 1 51 51 LYS C C 13 176.066 . . 1 . . . . 51 LYS C . 26764 1 280 . 1 1 51 51 LYS CA C 13 56.392 . . 1 . . . . 51 LYS CA . 26764 1 281 . 1 1 51 51 LYS CB C 13 33.355 . . 1 . . . . 51 LYS CB . 26764 1 282 . 1 1 51 51 LYS N N 15 122.662 . . 1 . . . . 51 LYS N . 26764 1 283 . 1 1 52 52 CYS H H 1 8.391 . . 1 . . . . 52 CYS H . 26764 1 284 . 1 1 52 52 CYS HA H 1 4.592 . . 1 . . . . 52 CYS HA . 26764 1 285 . 1 1 52 52 CYS CA C 13 58.546 . . 1 . . . . 52 CYS CA . 26764 1 286 . 1 1 52 52 CYS CB C 13 33.339 . . 1 . . . . 52 CYS CB . 26764 1 287 . 1 1 52 52 CYS N N 15 121.256 . . 1 . . . . 52 CYS N . 26764 1 288 . 1 1 53 53 LEU H H 1 7.912 . . 1 . . . . 53 LEU H . 26764 1 289 . 1 1 53 53 LEU CA C 13 56.927 . . 1 . . . . 53 LEU CA . 26764 1 290 . 1 1 53 53 LEU CB C 13 43.603 . . 1 . . . . 53 LEU CB . 26764 1 291 . 1 1 53 53 LEU N N 15 129.500 . . 1 . . . . 53 LEU N . 26764 1 stop_ save_