################################### # 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 16221 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $label1 _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' . . . 16221 1 2 '2D 1H-13C HSQC' . . . 16221 1 3 '3D HNCACB' . . . 16221 1 4 '3D CBCA(CO)NH' . . . 16221 1 5 '3D C(CO)NH' . . . 16221 1 7 '3D HNCO' . . . 16221 1 9 '3D HCACO' . . . 16221 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 9 9 HIS C C 13 175.169 . . 1 . . . . 9 HIS C . 16221 1 2 . 1 1 10 10 HIS H H 1 7.835 . . 1 . . . . 10 HIS HN . 16221 1 3 . 1 1 10 10 HIS HA H 1 4.156 . . 1 . . . . 10 HIS HA . 16221 1 4 . 1 1 10 10 HIS C C 13 175.015 . . 1 . . . . 10 HIS C . 16221 1 5 . 1 1 10 10 HIS CA C 13 57.242 . . 1 . . . . 10 HIS CA . 16221 1 6 . 1 1 10 10 HIS CB C 13 30.946 . . 1 . . . . 10 HIS CB . 16221 1 7 . 1 1 10 10 HIS N N 15 124.418 . . 1 . . . . 10 HIS N . 16221 1 8 . 1 1 11 11 ILE H H 1 7.966 . . 1 . . . . 11 ILE HN . 16221 1 9 . 1 1 11 11 ILE HA H 1 4.052 . . 1 . . . . 11 ILE HA . 16221 1 10 . 1 1 11 11 ILE C C 13 175.903 . . 1 . . . . 11 ILE C . 16221 1 11 . 1 1 11 11 ILE CA C 13 61.110 . . 1 . . . . 11 ILE CA . 16221 1 12 . 1 1 11 11 ILE CB C 13 38.990 . . 1 . . . . 11 ILE CB . 16221 1 13 . 1 1 11 11 ILE N N 15 122.919 . . 1 . . . . 11 ILE N . 16221 1 14 . 1 1 12 12 GLU H H 1 8.442 . . 1 . . . . 12 GLU HN . 16221 1 15 . 1 1 12 12 GLU HA H 1 4.182 . . 1 . . . . 12 GLU HA . 16221 1 16 . 1 1 12 12 GLU C C 13 176.908 . . 1 . . . . 12 GLU C . 16221 1 17 . 1 1 12 12 GLU CA C 13 57.165 . . 1 . . . . 12 GLU CA . 16221 1 18 . 1 1 12 12 GLU CB C 13 30.250 . . 1 . . . . 12 GLU CB . 16221 1 19 . 1 1 12 12 GLU N N 15 125.020 . . 1 . . . . 12 GLU N . 16221 1 20 . 1 1 13 13 GLY H H 1 8.389 . . 1 . . . . 13 GLY HN . 16221 1 21 . 1 1 13 13 GLY C C 13 174.024 . . 1 . . . . 13 GLY C . 16221 1 22 . 1 1 13 13 GLY CA C 13 45.641 . . 1 . . . . 13 GLY CA . 16221 1 23 . 1 1 13 13 GLY N N 15 110.366 . . 1 . . . . 13 GLY N . 16221 1 24 . 1 1 14 14 ARG H H 1 8.017 . . 1 . . . . 14 ARG HN . 16221 1 25 . 1 1 14 14 ARG HA H 1 7.822 . . 1 . . . . 14 ARG HA . 16221 1 26 . 1 1 14 14 ARG C C 13 175.710 . . 1 . . . . 14 ARG C . 16221 1 27 . 1 1 14 14 ARG CA C 13 56.082 . . 1 . . . . 14 ARG CA . 16221 1 28 . 1 1 14 14 ARG CB C 13 31.255 . . 1 . . . . 14 ARG CB . 16221 1 29 . 1 1 14 14 ARG N N 15 120.242 . . 1 . . . . 14 ARG N . 16221 1 30 . 1 1 15 15 ALA H H 1 8.298 . . 1 . . . . 15 ALA HN . 16221 1 31 . 1 1 15 15 ALA C C 13 173.418 . . 1 . . . . 15 ALA C . 16221 1 32 . 1 1 15 15 ALA CA C 13 52.370 . . 1 . . . . 15 ALA CA . 16221 1 33 . 1 1 15 15 ALA CB C 13 19.731 . . 1 . . . . 15 ALA CB . 16221 1 34 . 1 1 15 15 ALA N N 15 125.328 . . 1 . . . . 15 ALA N . 16221 1 35 . 1 1 16 16 SER H H 1 8.308 . . 1 . . . . 16 SER HN . 16221 1 36 . 1 1 16 16 SER HA H 1 5.270 . . 1 . . . . 16 SER HA . 16221 1 37 . 1 1 16 16 SER C C 13 174.024 . . 1 . . . . 16 SER C . 16221 1 38 . 1 1 16 16 SER CA C 13 56.778 . . 1 . . . . 16 SER CA . 16221 1 39 . 1 1 16 16 SER CB C 13 40.150 . . 1 . . . . 16 SER CB . 16221 1 40 . 1 1 16 16 SER N N 15 115.960 . . 1 . . . . 16 SER N . 16221 1 41 . 1 1 17 17 VAL H H 1 8.102 . . 1 . . . . 17 VAL HN . 16221 1 42 . 1 1 17 17 VAL HA H 1 9.506 . . 1 . . . . 17 VAL HA . 16221 1 43 . 1 1 17 17 VAL C C 13 175.388 . . 1 . . . . 17 VAL C . 16221 1 44 . 1 1 17 17 VAL CA C 13 62.192 . . 1 . . . . 17 VAL CA . 16221 1 45 . 1 1 17 17 VAL CB C 13 32.725 . . 1 . . . . 17 VAL CB . 16221 1 46 . 1 1 17 17 VAL N N 15 122.598 . . 1 . . . . 17 VAL N . 16221 1 47 . 1 1 18 18 VAL H H 1 8.773 . . 1 . . . . 18 VAL HN . 16221 1 48 . 1 1 18 18 VAL HA H 1 4.156 . . 1 . . . . 18 VAL HA . 16221 1 49 . 1 1 18 18 VAL C C 13 178.208 . . 1 . . . . 18 VAL C . 16221 1 50 . 1 1 18 18 VAL CA C 13 62.038 . . 1 . . . . 18 VAL CA . 16221 1 51 . 1 1 18 18 VAL CB C 13 35.586 . . 1 . . . . 18 VAL CB . 16221 1 52 . 1 1 18 18 VAL N N 15 127.629 . . 1 . . . . 18 VAL N . 16221 1 53 . 1 1 19 19 ARG H H 1 8.419 . . 1 . . . . 19 ARG HN . 16221 1 54 . 1 1 19 19 ARG HA H 1 4.791 . . 1 . . . . 19 ARG HA . 16221 1 55 . 1 1 19 19 ARG C C 13 176.406 . . 1 . . . . 19 ARG C . 16221 1 56 . 1 1 19 19 ARG CA C 13 55.154 . . 1 . . . . 19 ARG CA . 16221 1 57 . 1 1 19 19 ARG CB C 13 31.410 . . 1 . . . . 19 ARG CB . 16221 1 58 . 1 1 19 19 ARG N N 15 129.958 . . 1 . . . . 19 ARG N . 16221 1 59 . 1 1 20 20 VAL H H 1 8.431 . . 1 . . . . 20 VAL HN . 16221 1 60 . 1 1 20 20 VAL HA H 1 4.920 . . 1 . . . . 20 VAL HA . 16221 1 61 . 1 1 20 20 VAL C C 13 176.496 . . 1 . . . . 20 VAL C . 16221 1 62 . 1 1 20 20 VAL CA C 13 60.723 . . 1 . . . . 20 VAL CA . 16221 1 63 . 1 1 20 20 VAL CB C 13 33.730 . . 1 . . . . 20 VAL CB . 16221 1 64 . 1 1 20 20 VAL N N 15 119.506 . . 1 . . . . 20 VAL N . 16221 1 65 . 1 1 21 21 LYS H H 1 8.718 . . 1 . . . . 21 LYS HN . 16221 1 66 . 1 1 21 21 LYS HA H 1 4.700 . . 1 . . . . 21 LYS HA . 16221 1 67 . 1 1 21 21 LYS C C 13 174.963 . . 1 . . . . 21 LYS C . 16221 1 68 . 1 1 21 21 LYS CA C 13 53.453 . . 1 . . . . 21 LYS CA . 16221 1 69 . 1 1 21 21 LYS CB C 13 36.205 . . 1 . . . . 21 LYS CB . 16221 1 70 . 1 1 21 21 LYS N N 15 120.590 . . 1 . . . . 21 LYS N . 16221 1 71 . 1 1 22 22 TYR H H 1 9.456 . . 1 . . . . 22 TYR HN . 16221 1 72 . 1 1 22 22 TYR HA H 1 4.842 . . 1 . . . . 22 TYR HA . 16221 1 73 . 1 1 22 22 TYR CA C 13 57.320 . . 1 . . . . 22 TYR CA . 16221 1 74 . 1 1 22 22 TYR CB C 13 35.509 . . 1 . . . . 22 TYR CB . 16221 1 75 . 1 1 22 22 TYR N N 15 118.383 . . 1 . . . . 22 TYR N . 16221 1 76 . 1 1 23 23 GLY C C 13 175.903 . . 1 . . . . 23 GLY C . 16221 1 77 . 1 1 24 24 ASN H H 1 8.718 . . 1 . . . . 24 ASN HN . 16221 1 78 . 1 1 24 24 ASN HA H 1 4.881 . . 1 . . . . 24 ASN HA . 16221 1 79 . 1 1 24 24 ASN C C 13 176.290 . . 1 . . . . 24 ASN C . 16221 1 80 . 1 1 24 24 ASN CA C 13 59.021 . . 1 . . . . 24 ASN CA . 16221 1 81 . 1 1 24 24 ASN CB C 13 38.139 . . 1 . . . . 24 ASN CB . 16221 1 82 . 1 1 24 24 ASN N N 15 121.634 . . 1 . . . . 24 ASN N . 16221 1 83 . 1 1 25 25 ALA H H 1 7.255 . . 1 . . . . 25 ALA HN . 16221 1 84 . 1 1 25 25 ALA HA H 1 4.454 . . 1 . . . . 25 ALA HA . 16221 1 85 . 1 1 25 25 ALA C C 13 173.933 . . 1 . . . . 25 ALA C . 16221 1 86 . 1 1 25 25 ALA CA C 13 51.132 . . 1 . . . . 25 ALA CA . 16221 1 87 . 1 1 25 25 ALA CB C 13 19.886 . . 1 . . . . 25 ALA CB . 16221 1 88 . 1 1 25 25 ALA N N 15 122.517 . . 1 . . . . 25 ALA N . 16221 1 89 . 1 1 26 26 ASP H H 1 7.112 . . 1 . . . . 26 ASP HN . 16221 1 90 . 1 1 26 26 ASP HA H 1 5.024 . . 1 . . . . 26 ASP HA . 16221 1 91 . 1 1 26 26 ASP C C 13 177.140 . . 1 . . . . 26 ASP C . 16221 1 92 . 1 1 26 26 ASP CA C 13 57.397 . . 1 . . . . 26 ASP CA . 16221 1 93 . 1 1 26 26 ASP CB C 13 43.630 . . 1 . . . . 26 ASP CB . 16221 1 94 . 1 1 26 26 ASP N N 15 118.182 . . 1 . . . . 26 ASP N . 16221 1 95 . 1 1 27 27 GLY H H 1 8.076 . . 1 . . . . 27 GLY HN . 16221 1 96 . 1 1 27 27 GLY HA2 H 1 4.182 . . 1 . . . . 27 GLY HA1 . 16221 1 97 . 1 1 27 27 GLY HA3 H 1 4.182 . . 1 . . . . 27 GLY HA2 . 16221 1 98 . 1 1 27 27 GLY C C 13 174.706 . . 1 . . . . 27 GLY C . 16221 1 99 . 1 1 27 27 GLY CA C 13 45.486 . . 1 . . . . 27 GLY CA . 16221 1 100 . 1 1 27 27 GLY N N 15 113.980 . . 1 . . . . 27 GLY N . 16221 1 101 . 1 1 28 28 GLU H H 1 7.947 . . 1 . . . . 28 GLU HN . 16221 1 102 . 1 1 28 28 GLU HA H 1 4.260 . . 1 . . . . 28 GLU HA . 16221 1 103 . 1 1 28 28 GLU C C 13 173.418 . . 1 . . . . 28 GLU C . 16221 1 104 . 1 1 28 28 GLU CA C 13 55.773 . . 1 . . . . 28 GLU CA . 16221 1 105 . 1 1 28 28 GLU CB C 13 29.786 . . 1 . . . . 28 GLU CB . 16221 1 106 . 1 1 28 28 GLU N N 15 120.403 . . 1 . . . . 28 GLU N . 16221 1 107 . 1 1 29 29 TYR H H 1 8.272 . . 1 . . . . 29 TYR HN . 16221 1 108 . 1 1 29 29 TYR HA H 1 5.283 . . 1 . . . . 29 TYR HA . 16221 1 109 . 1 1 29 29 TYR C C 13 177.088 . . 1 . . . . 29 TYR C . 16221 1 110 . 1 1 29 29 TYR CA C 13 56.624 . . 1 . . . . 29 TYR CA . 16221 1 111 . 1 1 29 29 TYR CB C 13 40.150 . . 1 . . . . 29 TYR CB . 16221 1 112 . 1 1 29 29 TYR N N 15 115.960 . . 1 . . . . 29 TYR N . 16221 1 113 . 1 1 30 30 CYS H H 1 8.435 . . 1 . . . . 30 CYS HN . 16221 1 114 . 1 1 30 30 CYS HA H 1 1.216 . . 1 . . . . 30 CYS HA . 16221 1 115 . 1 1 30 30 CYS C C 13 175.041 . . 1 . . . . 30 CYS C . 16221 1 116 . 1 1 30 30 CYS CA C 13 53.994 . . 1 . . . . 30 CYS CA . 16221 1 117 . 1 1 30 30 CYS CB C 13 38.603 . . 1 . . . . 30 CYS CB . 16221 1 118 . 1 1 30 30 CYS N N 15 117.325 . . 1 . . . . 30 CYS N . 16221 1 119 . 1 1 31 31 LYS H H 1 8.389 . . 1 . . . . 31 LYS HN . 16221 1 120 . 1 1 31 31 LYS HA H 1 4.260 . . 1 . . . . 31 LYS HA . 16221 1 121 . 1 1 31 31 LYS C C 13 176.354 . . 1 . . . . 31 LYS C . 16221 1 122 . 1 1 31 31 LYS CA C 13 53.762 . . 1 . . . . 31 LYS CA . 16221 1 123 . 1 1 31 31 LYS CB C 13 31.797 . . 1 . . . . 31 LYS CB . 16221 1 124 . 1 1 31 31 LYS N N 15 126.184 . . 1 . . . . 31 LYS N . 16221 1 125 . 1 1 32 32 PHE H H 1 8.059 . . 1 . . . . 32 PHE HN . 16221 1 126 . 1 1 32 32 PHE HA H 1 5.684 . . 1 . . . . 32 PHE HA . 16221 1 127 . 1 1 32 32 PHE CA C 13 51.674 . . 1 . . . . 32 PHE CA . 16221 1 128 . 1 1 32 32 PHE CB C 13 41.155 . . 1 . . . . 32 PHE CB . 16221 1 129 . 1 1 32 32 PHE N N 15 119.868 . . 1 . . . . 32 PHE N . 16221 1 130 . 1 1 33 33 PRO C C 13 175.994 . . 1 . . . . 33 PRO C . 16221 1 131 . 1 1 34 34 PHE H H 1 8.495 . . 1 . . . . 34 PHE HN . 16221 1 132 . 1 1 34 34 PHE HA H 1 5.322 . . 1 . . . . 34 PHE HA . 16221 1 133 . 1 1 34 34 PHE C C 13 172.453 . . 1 . . . . 34 PHE C . 16221 1 134 . 1 1 34 34 PHE CA C 13 56.082 . . 1 . . . . 34 PHE CA . 16221 1 135 . 1 1 34 34 PHE CB C 13 41.232 . . 1 . . . . 34 PHE CB . 16221 1 136 . 1 1 34 34 PHE N N 15 112.695 . . 1 . . . . 34 PHE N . 16221 1 137 . 1 1 35 35 LEU H H 1 9.097 . . 1 . . . . 35 LEU HN . 16221 1 138 . 1 1 35 35 LEU HA H 1 4.946 . . 1 . . . . 35 LEU HA . 16221 1 139 . 1 1 35 35 LEU C C 13 173.277 . . 1 . . . . 35 LEU C . 16221 1 140 . 1 1 35 35 LEU CA C 13 53.917 . . 1 . . . . 35 LEU CA . 16221 1 141 . 1 1 35 35 LEU CB C 13 44.790 . . 1 . . . . 35 LEU CB . 16221 1 142 . 1 1 35 35 LEU N N 15 124.551 . . 1 . . . . 35 LEU N . 16221 1 143 . 1 1 36 36 PHE H H 1 9.546 . . 1 . . . . 36 PHE HN . 16221 1 144 . 1 1 36 36 PHE HA H 1 5.257 . . 1 . . . . 36 PHE HA . 16221 1 145 . 1 1 36 36 PHE C C 13 181.659 . . 1 . . . . 36 PHE C . 16221 1 146 . 1 1 36 36 PHE CA C 13 57.475 . . 1 . . . . 36 PHE CA . 16221 1 147 . 1 1 36 36 PHE CB C 13 42.083 . . 1 . . . . 36 PHE CB . 16221 1 148 . 1 1 36 36 PHE N N 15 126.733 . . 1 . . . . 36 PHE N . 16221 1 149 . 1 1 37 37 ASN H H 1 9.626 . . 1 . . . . 37 ASN HN . 16221 1 150 . 1 1 37 37 ASN HA H 1 4.661 . . 1 . . . . 37 ASN HA . 16221 1 151 . 1 1 37 37 ASN C C 13 176.560 . . 1 . . . . 37 ASN C . 16221 1 152 . 1 1 37 37 ASN CA C 13 57.320 . . 1 . . . . 37 ASN CA . 16221 1 153 . 1 1 37 37 ASN CB C 13 41.851 . . 1 . . . . 37 ASN CB . 16221 1 154 . 1 1 37 37 ASN N N 15 130.826 . . 1 . . . . 37 ASN N . 16221 1 155 . 1 1 38 38 GLY H H 1 8.655 . . 1 . . . . 38 GLY HN . 16221 1 156 . 1 1 38 38 GLY HA2 H 1 3.612 . . 1 . . . . 38 GLY HA1 . 16221 1 157 . 1 1 38 38 GLY HA3 H 1 4.778 . . 1 . . . . 38 GLY HA2 . 16221 1 158 . 1 1 38 38 GLY C C 13 173.212 . . 1 . . . . 38 GLY C . 16221 1 159 . 1 1 38 38 GLY CA C 13 45.950 . . 1 . . . . 38 GLY CA . 16221 1 160 . 1 1 38 38 GLY N N 15 130.011 . . 1 . . . . 38 GLY N . 16221 1 161 . 1 1 39 39 LYS H H 1 7.778 . . 1 . . . . 39 LYS HN . 16221 1 162 . 1 1 39 39 LYS HA H 1 4.558 . . 1 . . . . 39 LYS HA . 16221 1 163 . 1 1 39 39 LYS C C 13 173.817 . . 1 . . . . 39 LYS C . 16221 1 164 . 1 1 39 39 LYS CA C 13 54.613 . . 1 . . . . 39 LYS CA . 16221 1 165 . 1 1 39 39 LYS CB C 13 35.973 . . 1 . . . . 39 LYS CB . 16221 1 166 . 1 1 39 39 LYS N N 15 121.741 . . 1 . . . . 39 LYS N . 16221 1 167 . 1 1 40 40 GLU H H 1 8.195 . . 1 . . . . 40 GLU HN . 16221 1 168 . 1 1 40 40 GLU HA H 1 5.179 . . 1 . . . . 40 GLU HA . 16221 1 169 . 1 1 40 40 GLU C C 13 176.586 . . 1 . . . . 40 GLU C . 16221 1 170 . 1 1 40 40 GLU CA C 13 55.000 . . 1 . . . . 40 GLU CA . 16221 1 171 . 1 1 40 40 GLU CB C 13 35.741 . . 1 . . . . 40 GLU CB . 16221 1 172 . 1 1 40 40 GLU N N 15 120.202 . . 1 . . . . 40 GLU N . 16221 1 173 . 1 1 41 41 TYR H H 1 9.158 . . 1 . . . . 41 TYR HN . 16221 1 174 . 1 1 41 41 TYR HA H 1 4.169 . . 1 . . . . 41 TYR HA . 16221 1 175 . 1 1 41 41 TYR C C 13 175.569 . . 1 . . . . 41 TYR C . 16221 1 176 . 1 1 41 41 TYR CA C 13 58.248 . . 1 . . . . 41 TYR CA . 16221 1 177 . 1 1 41 41 TYR CB C 13 40.923 . . 1 . . . . 41 TYR CB . 16221 1 178 . 1 1 41 41 TYR N N 15 122.718 . . 1 . . . . 41 TYR N . 16221 1 179 . 1 1 42 42 ASN H H 1 7.443 . . 1 . . . . 42 ASN HN . 16221 1 180 . 1 1 42 42 ASN HA H 1 4.298 . . 1 . . . . 42 ASN HA . 16221 1 181 . 1 1 42 42 ASN C C 13 172.053 . . 1 . . . . 42 ASN C . 16221 1 182 . 1 1 42 42 ASN N N 15 119.627 . . 1 . . . . 42 ASN N . 16221 1 183 . 1 1 43 43 SER H H 1 7.440 . . 1 . . . . 43 SER HN . 16221 1 184 . 1 1 43 43 SER HA H 1 5.646 . . 1 . . . . 43 SER HA . 16221 1 185 . 1 1 43 43 SER C C 13 173.290 . . 1 . . . . 43 SER C . 16221 1 186 . 1 1 43 43 SER CA C 13 56.701 . . 1 . . . . 43 SER CA . 16221 1 187 . 1 1 43 43 SER CB C 13 65.596 . . 1 . . . . 43 SER CB . 16221 1 188 . 1 1 43 43 SER N N 15 110.995 . . 1 . . . . 43 SER N . 16221 1 189 . 1 1 44 44 CYS H H 1 8.490 . . 1 . . . . 44 CYS HN . 16221 1 190 . 1 1 44 44 CYS HA H 1 3.845 . . 1 . . . . 44 CYS HA . 16221 1 191 . 1 1 44 44 CYS C C 13 173.071 . . 1 . . . . 44 CYS C . 16221 1 192 . 1 1 44 44 CYS N N 15 115.572 . . 1 . . . . 44 CYS N . 16221 1 193 . 1 1 45 45 THR H H 1 8.776 . . 1 . . . . 45 THR HN . 16221 1 194 . 1 1 45 45 THR HA H 1 4.830 . . 1 . . . . 45 THR HA . 16221 1 195 . 1 1 45 45 THR CA C 13 59.408 . . 1 . . . . 45 THR CA . 16221 1 196 . 1 1 45 45 THR CB C 13 70.313 . . 1 . . . . 45 THR CB . 16221 1 197 . 1 1 45 45 THR N N 15 116.442 . . 1 . . . . 45 THR N . 16221 1 198 . 1 1 46 46 ASP H H 1 8.137 . . 1 . . . . 46 ASP HN . 16221 1 199 . 1 1 46 46 ASP HA H 1 5.283 . . 1 . . . . 46 ASP HA . 16221 1 200 . 1 1 46 46 ASP C C 13 177.449 . . 1 . . . . 46 ASP C . 16221 1 201 . 1 1 46 46 ASP CA C 13 53.143 . . 1 . . . . 46 ASP CA . 16221 1 202 . 1 1 46 46 ASP CB C 13 40.846 . . 1 . . . . 46 ASP CB . 16221 1 203 . 1 1 46 46 ASP N N 15 123.280 . . 1 . . . . 46 ASP N . 16221 1 204 . 1 1 47 47 THR H H 1 8.308 . . 1 . . . . 47 THR HN . 16221 1 205 . 1 1 47 47 THR HA H 1 4.855 . . 1 . . . . 47 THR HA . 16221 1 206 . 1 1 47 47 THR C C 13 175.144 . . 1 . . . . 47 THR C . 16221 1 207 . 1 1 47 47 THR CA C 13 65.596 . . 1 . . . . 47 THR CA . 16221 1 208 . 1 1 47 47 THR CB C 13 69.540 . . 1 . . . . 47 THR CB . 16221 1 209 . 1 1 47 47 THR N N 15 118.369 . . 1 . . . . 47 THR N . 16221 1 210 . 1 1 48 48 GLY HA2 H 1 4.713 . . 1 . . . . 48 GLY HA1 . 16221 1 211 . 1 1 48 48 GLY HA3 H 1 4.713 . . 1 . . . . 48 GLY HA2 . 16221 1 212 . 1 1 48 48 GLY C C 13 173.817 . . 1 . . . . 48 GLY C . 16221 1 213 . 1 1 49 49 ARG H H 1 8.004 . . 1 . . . . 49 ARG HN . 16221 1 214 . 1 1 49 49 ARG HA H 1 4.661 . . 1 . . . . 49 ARG HA . 16221 1 215 . 1 1 49 49 ARG CA C 13 55.464 . . 1 . . . . 49 ARG CA . 16221 1 216 . 1 1 49 49 ARG CB C 13 32.957 . . 1 . . . . 49 ARG CB . 16221 1 217 . 1 1 49 49 ARG N N 15 117.606 . . 1 . . . . 49 ARG N . 16221 1 218 . 1 1 51 51 ASP C C 13 174.165 . . 1 . . . . 51 ASP C . 16221 1 219 . 1 1 52 52 GLY H H 1 8.809 . . 1 . . . . 52 GLY HN . 16221 1 220 . 1 1 52 52 GLY HA2 H 1 4.726 . . 1 . . . . 52 GLY HA1 . 16221 1 221 . 1 1 52 52 GLY HA3 H 1 4.726 . . 1 . . . . 52 GLY HA2 . 16221 1 222 . 1 1 52 52 GLY C C 13 178.157 . . 1 . . . . 52 GLY C . 16221 1 223 . 1 1 52 52 GLY CA C 13 44.945 . . 1 . . . . 52 GLY CA . 16221 1 224 . 1 1 52 52 GLY N N 15 106.218 . . 1 . . . . 52 GLY N . 16221 1 225 . 1 1 53 53 PHE H H 1 8.900 . . 1 . . . . 53 PHE HN . 16221 1 226 . 1 1 53 53 PHE HA H 1 5.218 . . 1 . . . . 53 PHE HA . 16221 1 227 . 1 1 53 53 PHE C C 13 176.676 . . 1 . . . . 53 PHE C . 16221 1 228 . 1 1 53 53 PHE CA C 13 59.640 . . 1 . . . . 53 PHE CA . 16221 1 229 . 1 1 53 53 PHE CB C 13 38.680 . . 1 . . . . 53 PHE CB . 16221 1 230 . 1 1 53 53 PHE N N 15 116.670 . . 1 . . . . 53 PHE N . 16221 1 231 . 1 1 54 54 LEU H H 1 8.583 . . 1 . . . . 54 LEU HN . 16221 1 232 . 1 1 54 54 LEU HA H 1 4.868 . . 1 . . . . 54 LEU HA . 16221 1 233 . 1 1 54 54 LEU C C 13 177.783 . . 1 . . . . 54 LEU C . 16221 1 234 . 1 1 54 54 LEU CA C 13 54.535 . . 1 . . . . 54 LEU CA . 16221 1 235 . 1 1 54 54 LEU CB C 13 43.785 . . 1 . . . . 54 LEU CB . 16221 1 236 . 1 1 54 54 LEU N N 15 119.935 . . 1 . . . . 54 LEU N . 16221 1 237 . 1 1 55 55 TRP H H 1 9.810 . . 1 . . . . 55 TRP HN . 16221 1 238 . 1 1 55 55 TRP HA H 1 5.620 . . 1 . . . . 55 TRP HA . 16221 1 239 . 1 1 55 55 TRP C C 13 175.775 . . 1 . . . . 55 TRP C . 16221 1 240 . 1 1 55 55 TRP CA C 13 55.928 . . 1 . . . . 55 TRP CA . 16221 1 241 . 1 1 55 55 TRP CB C 13 32.725 . . 1 . . . . 55 TRP CB . 16221 1 242 . 1 1 55 55 TRP N N 15 123.601 . . 1 . . . . 55 TRP N . 16221 1 243 . 1 1 56 56 CYS H H 1 8.530 . . 1 . . . . 56 CYS HN . 16221 1 244 . 1 1 56 56 CYS HA H 1 3.703 . . 1 . . . . 56 CYS HA . 16221 1 245 . 1 1 56 56 CYS C C 13 181.067 . . 1 . . . . 56 CYS C . 16221 1 246 . 1 1 56 56 CYS CA C 13 45.718 . . 1 . . . . 56 CYS CA . 16221 1 247 . 1 1 56 56 CYS CB C 13 35.277 . . 1 . . . . 56 CYS CB . 16221 1 248 . 1 1 56 56 CYS N N 15 110.366 . . 1 . . . . 56 CYS N . 16221 1 249 . 1 1 57 57 SER C C 13 175.066 . . 1 . . . . 57 SER C . 16221 1 250 . 1 1 58 58 THR H H 1 7.846 . . 1 . . . . 58 THR HN . 16221 1 251 . 1 1 58 58 THR HA H 1 4.661 . . 1 . . . . 58 THR HA . 16221 1 252 . 1 1 58 58 THR C C 13 175.195 . . 1 . . . . 58 THR C . 16221 1 253 . 1 1 58 58 THR CA C 13 60.182 . . 1 . . . . 58 THR CA . 16221 1 254 . 1 1 58 58 THR CB C 13 70.700 . . 1 . . . . 58 THR CB . 16221 1 255 . 1 1 58 58 THR N N 15 111.477 . . 1 . . . . 58 THR N . 16221 1 stop_ save_