################################### # 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 17757 _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' . . . 17757 1 3 '3D CBCA(CO)NH' . . . 17757 1 4 '3D HNCACB' . . . 17757 1 5 '3D HN(CA)CO' . . . 17757 1 6 '3D HNN' . . . 17757 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 4 4 VAL H H 1 8.569 0.05 . 1 . . . . 121 VAL H . 17757 1 2 . 1 1 4 4 VAL HA H 1 4.179 0.05 . 1 . . . . 121 VAL HA . 17757 1 3 . 1 1 4 4 VAL C C 13 176.117 0.2 . 1 . . . . 121 VAL C . 17757 1 4 . 1 1 4 4 VAL CA C 13 62.516 0.2 . 1 . . . . 121 VAL CA . 17757 1 5 . 1 1 4 4 VAL CB C 13 32.919 0.2 . 1 . . . . 121 VAL CB . 17757 1 6 . 1 1 5 5 VAL H H 1 8.357 0.05 . 1 . . . . 122 VAL H . 17757 1 7 . 1 1 5 5 VAL HA H 1 4.179 0.05 . 1 . . . . 122 VAL HA . 17757 1 8 . 1 1 5 5 VAL C C 13 176.444 0.2 . 1 . . . . 122 VAL C . 17757 1 9 . 1 1 5 5 VAL CA C 13 62.436 0.2 . 1 . . . . 122 VAL CA . 17757 1 10 . 1 1 5 5 VAL CB C 13 32.929 0.2 . 1 . . . . 122 VAL CB . 17757 1 11 . 1 1 6 6 GLY H H 1 8.471 0.05 . 1 . . . . 123 GLY H . 17757 1 12 . 1 1 6 6 GLY HA2 H 1 3.984 0.05 . 2 . . . . 123 GLY HA . 17757 1 13 . 1 1 6 6 GLY HA3 H 1 3.984 0.05 . 2 . . . . 123 GLY HA . 17757 1 14 . 1 1 6 6 GLY C C 13 174.406 0.2 . 1 . . . . 123 GLY C . 17757 1 15 . 1 1 6 6 GLY CA C 13 45.134 0.2 . 1 . . . . 123 GLY CA . 17757 1 16 . 1 1 7 7 GLY H H 1 8.244 0.05 . 1 . . . . 124 GLY H . 17757 1 17 . 1 1 7 7 GLY HA2 H 1 3.988 0.05 . 2 . . . . 124 GLY HA . 17757 1 18 . 1 1 7 7 GLY HA3 H 1 3.988 0.05 . 2 . . . . 124 GLY HA . 17757 1 19 . 1 1 7 7 GLY C C 13 174.258 0.2 . 1 . . . . 124 GLY C . 17757 1 20 . 1 1 7 7 GLY CA C 13 45.225 0.2 . 1 . . . . 124 GLY CA . 17757 1 21 . 1 1 8 8 LEU H H 1 8.258 0.05 . 1 . . . . 125 LEU H . 17757 1 22 . 1 1 8 8 LEU HA H 1 4.395 0.05 . 1 . . . . 125 LEU HA . 17757 1 23 . 1 1 8 8 LEU C C 13 178.074 0.2 . 1 . . . . 125 LEU C . 17757 1 24 . 1 1 8 8 LEU CA C 13 55.408 0.2 . 1 . . . . 125 LEU CA . 17757 1 25 . 1 1 8 8 LEU CB C 13 42.474 0.2 . 1 . . . . 125 LEU CB . 17757 1 26 . 1 1 9 9 GLY H H 1 8.462 0.05 . 1 . . . . 126 GLY H . 17757 1 27 . 1 1 9 9 GLY HA2 H 1 3.974 0.05 . 2 . . . . 126 GLY HA . 17757 1 28 . 1 1 9 9 GLY HA3 H 1 3.974 0.05 . 2 . . . . 126 GLY HA . 17757 1 29 . 1 1 9 9 GLY C C 13 174.497 0.2 . 1 . . . . 126 GLY C . 17757 1 30 . 1 1 9 9 GLY CA C 13 45.348 0.2 . 1 . . . . 126 GLY CA . 17757 1 31 . 1 1 10 10 GLY H H 1 8.235 0.05 . 1 . . . . 127 GLY H . 17757 1 32 . 1 1 10 10 GLY HA2 H 1 3.95 0.05 . 2 . . . . 127 GLY HA . 17757 1 33 . 1 1 10 10 GLY HA3 H 1 3.95 0.05 . 2 . . . . 127 GLY HA . 17757 1 34 . 1 1 10 10 GLY C C 13 173.87 0.2 . 1 . . . . 127 GLY C . 17757 1 35 . 1 1 10 10 GLY CA C 13 45.227 0.2 . 1 . . . . 127 GLY CA . 17757 1 36 . 1 1 11 11 TYR H H 1 8.138 0.05 . 1 . . . . 128 TYR H . 17757 1 37 . 1 1 11 11 TYR HA H 1 4.534 0.05 . 1 . . . . 128 TYR HA . 17757 1 38 . 1 1 11 11 TYR C C 13 175.969 0.2 . 1 . . . . 128 TYR C . 17757 1 39 . 1 1 11 11 TYR CA C 13 58.141 0.2 . 1 . . . . 128 TYR CA . 17757 1 40 . 1 1 11 11 TYR CB C 13 38.895 0.2 . 1 . . . . 128 TYR CB . 17757 1 41 . 1 1 12 12 MET HA H 1 4.527 0.05 . 1 . . . . 129 MET HA . 17757 1 42 . 1 1 13 13 LEU C C 13 177.781 0.2 . 1 . . . . 130 LEU C . 17757 1 43 . 1 1 13 13 LEU CA C 13 55.551 0.2 . 1 . . . . 130 LEU CA . 17757 1 44 . 1 1 13 13 LEU CB C 13 42.53 0.2 . 1 . . . . 130 LEU CB . 17757 1 45 . 1 1 14 14 GLY H H 1 8.509 0.05 . 1 . . . . 131 GLY H . 17757 1 46 . 1 1 14 14 GLY HA2 H 1 3.994 0.05 . 2 . . . . 131 GLY HA . 17757 1 47 . 1 1 14 14 GLY HA3 H 1 3.994 0.05 . 2 . . . . 131 GLY HA . 17757 1 48 . 1 1 14 14 GLY C C 13 174.031 0.2 . 1 . . . . 131 GLY C . 17757 1 49 . 1 1 14 14 GLY CA C 13 45.195 0.2 . 1 . . . . 131 GLY CA . 17757 1 50 . 1 1 15 15 SER H H 1 8.241 0.05 . 1 . . . . 132 SER H . 17757 1 51 . 1 1 15 15 SER HA H 1 4.497 0.05 . 1 . . . . 132 SER HA . 17757 1 52 . 1 1 15 15 SER C C 13 174.578 0.2 . 1 . . . . 132 SER C . 17757 1 53 . 1 1 15 15 SER CA C 13 58.261 0.2 . 1 . . . . 132 SER CA . 17757 1 54 . 1 1 15 15 SER CB C 13 64.217 0.2 . 1 . . . . 132 SER CB . 17757 1 55 . 1 1 16 16 ALA H H 1 8.461 0.05 . 1 . . . . 133 ALA H . 17757 1 56 . 1 1 16 16 ALA HA H 1 4.321 0.05 . 1 . . . . 133 ALA HA . 17757 1 57 . 1 1 16 16 ALA C C 13 177.926 0.2 . 1 . . . . 133 ALA C . 17757 1 58 . 1 1 16 16 ALA CA C 13 52.854 0.2 . 1 . . . . 133 ALA CA . 17757 1 59 . 1 1 16 16 ALA CB C 13 19.099 0.2 . 1 . . . . 133 ALA CB . 17757 1 60 . 1 1 17 17 MET HA H 1 4.632 0.05 . 1 . . . . 134 MET HA . 17757 1 61 . 1 1 18 18 SER H H 1 8.456 0.05 . 1 . . . . 135 SER H . 17757 1 62 . 1 1 18 18 SER HA H 1 4.477 0.05 . 1 . . . . 135 SER HA . 17757 1 63 . 1 1 18 18 SER C C 13 174.013 0.2 . 1 . . . . 135 SER C . 17757 1 64 . 1 1 18 18 SER CA C 13 58.451 0.2 . 1 . . . . 135 SER CA . 17757 1 65 . 1 1 18 18 SER CB C 13 64.125 0.2 . 1 . . . . 135 SER CB . 17757 1 66 . 1 1 19 19 ARG H H 1 8.467 0.05 . 1 . . . . 136 ARG H . 17757 1 67 . 1 1 19 19 ARG HA H 1 4.632 0.05 . 1 . . . . 136 ARG HA . 17757 1 68 . 1 1 19 19 ARG C C 13 174.123 0.2 . 1 . . . . 136 ARG C . 17757 1 69 . 1 1 19 19 ARG CA C 13 54.279 0.2 . 1 . . . . 136 ARG CA . 17757 1 70 . 1 1 19 19 ARG CB C 13 30.3 0.2 . 1 . . . . 136 ARG CB . 17757 1 71 . 1 1 20 20 PRO C C 13 176.444 0.2 . 1 . . . . 137 PRO C . 17757 1 72 . 1 1 20 20 PRO CA C 13 63.053 0.2 . 1 . . . . 137 PRO CA . 17757 1 73 . 1 1 20 20 PRO CB C 13 32.111 0.2 . 1 . . . . 137 PRO CB . 17757 1 74 . 1 1 21 21 ILE H H 1 8.288 0.05 . 1 . . . . 138 ILE H . 17757 1 75 . 1 1 21 21 ILE HA H 1 4.082 0.05 . 1 . . . . 138 ILE HA . 17757 1 76 . 1 1 21 21 ILE C C 13 175.969 0.2 . 1 . . . . 138 ILE C . 17757 1 77 . 1 1 21 21 ILE CA C 13 61.042 0.2 . 1 . . . . 138 ILE CA . 17757 1 78 . 1 1 21 21 ILE CB C 13 38.576 0.2 . 1 . . . . 138 ILE CB . 17757 1 79 . 1 1 22 22 ILE H H 1 8.235 0.05 . 1 . . . . 139 ILE H . 17757 1 80 . 1 1 22 22 ILE HA H 1 4.086 0.05 . 1 . . . . 139 ILE HA . 17757 1 81 . 1 1 22 22 ILE C C 13 175.582 0.2 . 1 . . . . 139 ILE C . 17757 1 82 . 1 1 22 22 ILE CA C 13 60.558 0.2 . 1 . . . . 139 ILE CA . 17757 1 83 . 1 1 22 22 ILE CB C 13 38.664 0.2 . 1 . . . . 139 ILE CB . 17757 1 84 . 1 1 23 23 HIS H H 1 8.567 0.05 . 1 . . . . 140 HIS H . 17757 1 85 . 1 1 23 23 HIS HA H 1 4.736 0.05 . 1 . . . . 140 HIS HA . 17757 1 86 . 1 1 23 23 HIS C C 13 173.88 0.2 . 1 . . . . 140 HIS C . 17757 1 87 . 1 1 23 23 HIS CA C 13 54.694 0.2 . 1 . . . . 140 HIS CA . 17757 1 88 . 1 1 23 23 HIS CB C 13 29.194 0.2 . 1 . . . . 140 HIS CB . 17757 1 89 . 1 1 24 24 PHE H H 1 8.46 0.05 . 1 . . . . 141 PHE H . 17757 1 90 . 1 1 24 24 PHE HA H 1 4.631 0.05 . 1 . . . . 141 PHE HA . 17757 1 91 . 1 1 24 24 PHE C C 13 176.129 0.2 . 1 . . . . 141 PHE C . 17757 1 92 . 1 1 24 24 PHE CA C 13 57.958 0.2 . 1 . . . . 141 PHE CA . 17757 1 93 . 1 1 24 24 PHE CB C 13 39.976 0.2 . 1 . . . . 141 PHE CB . 17757 1 94 . 1 1 25 25 GLY H H 1 8.482 0.05 . 1 . . . . 142 GLY H . 17757 1 95 . 1 1 25 25 GLY HA2 H 1 3.984 0.05 . 2 . . . . 142 GLY HA . 17757 1 96 . 1 1 25 25 GLY HA3 H 1 3.984 0.05 . 2 . . . . 142 GLY HA . 17757 1 97 . 1 1 25 25 GLY C C 13 174.023 0.2 . 1 . . . . 142 GLY C . 17757 1 98 . 1 1 25 25 GLY CA C 13 45.14 0.2 . 1 . . . . 142 GLY CA . 17757 1 99 . 1 1 26 26 SER H H 1 8.258 0.05 . 1 . . . . 143 SER H . 17757 1 100 . 1 1 26 26 SER HA H 1 4.439 0.05 . 1 . . . . 143 SER HA . 17757 1 101 . 1 1 26 26 SER C C 13 174.56 0.2 . 1 . . . . 143 SER C . 17757 1 102 . 1 1 26 26 SER CA C 13 58.566 0.2 . 1 . . . . 143 SER CA . 17757 1 103 . 1 1 26 26 SER CB C 13 64.044 0.2 . 1 . . . . 143 SER CB . 17757 1 104 . 1 1 27 27 ASP HA H 1 4.743 0.05 . 1 . . . . 144 ASP HA . 17757 1 105 . 1 1 28 28 TYR H H 1 8.13 0.05 . 1 . . . . 145 TYR H . 17757 1 106 . 1 1 28 28 TYR HA H 1 4.465 0.05 . 1 . . . . 145 TYR HA . 17757 1 107 . 1 1 28 28 TYR C C 13 175.825 0.2 . 1 . . . . 145 TYR C . 17757 1 108 . 1 1 28 28 TYR CA C 13 58.593 0.2 . 1 . . . . 145 TYR CA . 17757 1 109 . 1 1 28 28 TYR CB C 13 38.636 0.2 . 1 . . . . 145 TYR CB . 17757 1 110 . 1 1 29 29 GLU HA H 1 4.289 0.05 . 1 . . . . 146 GLU HA . 17757 1 111 . 1 1 30 30 ASP HA H 1 4.637 0.05 . 1 . . . . 147 ASP HA . 17757 1 112 . 1 1 31 31 ARG H H 1 8.204 0.05 . 1 . . . . 148 ARG H . 17757 1 113 . 1 1 31 31 ARG HA H 1 4.208 0.05 . 1 . . . . 148 ARG HA . 17757 1 114 . 1 1 31 31 ARG C C 13 175.763 0.2 . 1 . . . . 148 ARG C . 17757 1 115 . 1 1 31 31 ARG CA C 13 56.625 0.2 . 1 . . . . 148 ARG CA . 17757 1 116 . 1 1 31 31 ARG CB C 13 30.723 0.2 . 1 . . . . 148 ARG CB . 17757 1 117 . 1 1 32 32 TYR H H 1 8.027 0.05 . 1 . . . . 149 TYR H . 17757 1 118 . 1 1 32 32 TYR HA H 1 4.524 0.05 . 1 . . . . 149 TYR HA . 17757 1 119 . 1 1 32 32 TYR C C 13 175.497 0.2 . 1 . . . . 149 TYR C . 17757 1 120 . 1 1 32 32 TYR CA C 13 57.867 0.2 . 1 . . . . 149 TYR CA . 17757 1 121 . 1 1 32 32 TYR CB C 13 38.798 0.2 . 1 . . . . 149 TYR CB . 17757 1 122 . 1 1 33 33 TYR H H 1 8.034 0.05 . 1 . . . . 150 TYR H . 17757 1 123 . 1 1 33 33 TYR HA H 1 4.521 0.05 . 1 . . . . 150 TYR HA . 17757 1 124 . 1 1 33 33 TYR C C 13 175.494 0.2 . 1 . . . . 150 TYR C . 17757 1 125 . 1 1 33 33 TYR CA C 13 57.932 0.2 . 1 . . . . 150 TYR CA . 17757 1 126 . 1 1 33 33 TYR CB C 13 38.994 0.2 . 1 . . . . 150 TYR CB . 17757 1 127 . 1 1 34 34 ARG H H 1 8.242 0.05 . 1 . . . . 151 ARG H . 17757 1 128 . 1 1 34 34 ARG HA H 1 4.281 0.05 . 1 . . . . 151 ARG HA . 17757 1 129 . 1 1 34 34 ARG C C 13 175.911 0.2 . 1 . . . . 151 ARG C . 17757 1 130 . 1 1 34 34 ARG CA C 13 56.105 0.2 . 1 . . . . 151 ARG CA . 17757 1 131 . 1 1 34 34 ARG CB C 13 30.916 0.2 . 1 . . . . 151 ARG CB . 17757 1 132 . 1 1 35 35 GLU HA H 1 4.342 0.05 . 1 . . . . 152 GLU HA . 17757 1 133 . 1 1 36 36 ASN H H 1 8.547 0.05 . 1 . . . . 153 ASN H . 17757 1 134 . 1 1 36 36 ASN HA H 1 4.663 0.05 . 1 . . . . 153 ASN HA . 17757 1 135 . 1 1 36 36 ASN C C 13 175.432 0.2 . 1 . . . . 153 ASN C . 17757 1 136 . 1 1 36 36 ASN CA C 13 53.344 0.2 . 1 . . . . 153 ASN CA . 17757 1 137 . 1 1 36 36 ASN CB C 13 38.872 0.2 . 1 . . . . 153 ASN CB . 17757 1 138 . 1 1 37 37 MET HA H 1 4.544 0.05 . 1 . . . . 154 MET HA . 17757 1 139 . 1 1 38 38 HIS H H 1 8.681 0.05 . 1 . . . . 155 HIS H . 17757 1 140 . 1 1 38 38 HIS HA H 1 4.623 0.05 . 1 . . . . 155 HIS HA . 17757 1 141 . 1 1 38 38 HIS C C 13 174.033 0.2 . 1 . . . . 155 HIS C . 17757 1 142 . 1 1 38 38 HIS CA C 13 55.516 0.2 . 1 . . . . 155 HIS CA . 17757 1 143 . 1 1 38 38 HIS CB C 13 29.135 0.2 . 1 . . . . 155 HIS CB . 17757 1 144 . 1 1 39 39 ARG H H 1 8.461 0.05 . 1 . . . . 156 ARG H . 17757 1 145 . 1 1 39 39 ARG HA H 1 4.296 0.05 . 1 . . . . 156 ARG HA . 17757 1 146 . 1 1 39 39 ARG C C 13 175.597 0.2 . 1 . . . . 156 ARG C . 17757 1 147 . 1 1 39 39 ARG CA C 13 56.127 0.2 . 1 . . . . 156 ARG CA . 17757 1 148 . 1 1 39 39 ARG CB C 13 31.157 0.2 . 1 . . . . 156 ARG CB . 17757 1 149 . 1 1 40 40 TYR H H 1 8.464 0.05 . 1 . . . . 157 TYR H . 17757 1 150 . 1 1 40 40 TYR HA H 1 4.836 0.05 . 1 . . . . 157 TYR HA . 17757 1 151 . 1 1 40 40 TYR C C 13 174.197 0.2 . 1 . . . . 157 TYR C . 17757 1 152 . 1 1 40 40 TYR CA C 13 56.03 0.2 . 1 . . . . 157 TYR CA . 17757 1 153 . 1 1 40 40 TYR CB C 13 38.222 0.2 . 1 . . . . 157 TYR CB . 17757 1 154 . 1 1 41 41 PRO C C 13 176.525 0.2 . 1 . . . . 158 PRO C . 17757 1 155 . 1 1 41 41 PRO CA C 13 63.415 0.2 . 1 . . . . 158 PRO CA . 17757 1 156 . 1 1 41 41 PRO CB C 13 32.098 0.2 . 1 . . . . 158 PRO CB . 17757 1 157 . 1 1 42 42 ASN H H 1 8.461 0.05 . 1 . . . . 159 ASN H . 17757 1 158 . 1 1 42 42 ASN HA H 1 4.667 0.05 . 1 . . . . 159 ASN HA . 17757 1 159 . 1 1 42 42 ASN C C 13 175.19 0.2 . 1 . . . . 159 ASN C . 17757 1 160 . 1 1 42 42 ASN CA C 13 53.485 0.2 . 1 . . . . 159 ASN CA . 17757 1 161 . 1 1 42 42 ASN CB C 13 38.799 0.2 . 1 . . . . 159 ASN CB . 17757 1 162 . 1 1 43 43 GLN H H 1 8.312 0.05 . 1 . . . . 160 GLN H . 17757 1 163 . 1 1 43 43 GLN HA H 1 4.319 0.05 . 1 . . . . 160 GLN HA . 17757 1 164 . 1 1 43 43 GLN C C 13 175.489 0.2 . 1 . . . . 160 GLN C . 17757 1 165 . 1 1 43 43 GLN CA C 13 55.968 0.2 . 1 . . . . 160 GLN CA . 17757 1 166 . 1 1 43 43 GLN CB C 13 29.734 0.2 . 1 . . . . 160 GLN CB . 17757 1 167 . 1 1 44 44 VAL H H 1 8.131 0.05 . 1 . . . . 161 VAL H . 17757 1 168 . 1 1 44 44 VAL HA H 1 4.006 0.05 . 1 . . . . 161 VAL HA . 17757 1 169 . 1 1 44 44 VAL C C 13 175.437 0.2 . 1 . . . . 161 VAL C . 17757 1 170 . 1 1 44 44 VAL CA C 13 62.358 0.2 . 1 . . . . 161 VAL CA . 17757 1 171 . 1 1 44 44 VAL CB C 13 32.879 0.2 . 1 . . . . 161 VAL CB . 17757 1 172 . 1 1 45 45 TYR H H 1 8.243 0.05 . 1 . . . . 162 TYR H . 17757 1 173 . 1 1 45 45 TYR HA H 1 4.56 0.05 . 1 . . . . 162 TYR HA . 17757 1 174 . 1 1 45 45 TYR C C 13 175.111 0.2 . 1 . . . . 162 TYR C . 17757 1 175 . 1 1 45 45 TYR CA C 13 57.581 0.2 . 1 . . . . 162 TYR CA . 17757 1 176 . 1 1 45 45 TYR CB C 13 39.227 0.2 . 1 . . . . 162 TYR CB . 17757 1 177 . 1 1 46 46 TYR H H 1 8.224 0.05 . 1 . . . . 163 TYR H . 17757 1 178 . 1 1 46 46 TYR HA H 1 4.533 0.05 . 1 . . . . 163 TYR HA . 17757 1 179 . 1 1 46 46 TYR C C 13 174.874 0.2 . 1 . . . . 163 TYR C . 17757 1 180 . 1 1 46 46 TYR CA C 13 57.588 0.2 . 1 . . . . 163 TYR CA . 17757 1 181 . 1 1 46 46 TYR CB C 13 39.227 0.2 . 1 . . . . 163 TYR CB . 17757 1 182 . 1 1 47 47 ARG H H 1 8.247 0.05 . 1 . . . . 164 ARG H . 17757 1 183 . 1 1 47 47 ARG HA H 1 4.525 0.05 . 1 . . . . 164 ARG HA . 17757 1 184 . 1 1 47 47 ARG C C 13 173.636 0.2 . 1 . . . . 164 ARG C . 17757 1 185 . 1 1 47 47 ARG CA C 13 53.628 0.2 . 1 . . . . 164 ARG CA . 17757 1 186 . 1 1 47 47 ARG CB C 13 30.655 0.2 . 1 . . . . 164 ARG CB . 17757 1 187 . 1 1 48 48 PRO C C 13 176.928 0.2 . 1 . . . . 165 PRO C . 17757 1 188 . 1 1 48 48 PRO CA C 13 63.12 0.2 . 1 . . . . 165 PRO CA . 17757 1 189 . 1 1 48 48 PRO CB C 13 32.188 0.2 . 1 . . . . 165 PRO CB . 17757 1 190 . 1 1 49 49 MET HA H 1 4.533 0.05 . 1 . . . . 166 MET HA . 17757 1 191 . 1 1 50 50 ASP HA H 1 4.722 0.05 . 1 . . . . 167 ASP HA . 17757 1 192 . 1 1 51 51 GLU HA H 1 4.319 0.05 . 1 . . . . 168 GLU HA . 17757 1 193 . 1 1 52 52 TYR H H 1 8.24 0.05 . 1 . . . . 169 TYR H . 17757 1 194 . 1 1 52 52 TYR HA H 1 4.628 0.05 . 1 . . . . 169 TYR HA . 17757 1 195 . 1 1 52 52 TYR C C 13 175.819 0.2 . 1 . . . . 169 TYR C . 17757 1 196 . 1 1 52 52 TYR CA C 13 57.768 0.2 . 1 . . . . 169 TYR CA . 17757 1 197 . 1 1 52 52 TYR CB C 13 38.9 0.2 . 1 . . . . 169 TYR CB . 17757 1 198 . 1 1 53 53 SER H H 1 8.247 0.05 . 1 . . . . 170 SER H . 17757 1 199 . 1 1 53 53 SER HA H 1 4.477 0.05 . 1 . . . . 170 SER HA . 17757 1 200 . 1 1 53 53 SER C C 13 174.261 0.2 . 1 . . . . 170 SER C . 17757 1 201 . 1 1 53 53 SER CA C 13 58.173 0.2 . 1 . . . . 170 SER CA . 17757 1 202 . 1 1 53 53 SER CB C 13 64.091 0.2 . 1 . . . . 170 SER CB . 17757 1 203 . 1 1 54 54 ASN C C 13 175.337 0.2 . 1 . . . . 171 ASN C . 17757 1 204 . 1 1 54 54 ASN CA C 13 53.327 0.2 . 1 . . . . 171 ASN CA . 17757 1 205 . 1 1 54 54 ASN CB C 13 38.812 0.2 . 1 . . . . 171 ASN CB . 17757 1 206 . 1 1 55 55 GLN H H 1 8.351 0.05 . 1 . . . . 172 GLN H . 17757 1 207 . 1 1 55 55 GLN HA H 1 4.3 0.05 . 1 . . . . 172 GLN HA . 17757 1 208 . 1 1 55 55 GLN C C 13 175.735 0.2 . 1 . . . . 172 GLN C . 17757 1 209 . 1 1 55 55 GLN CA C 13 56.23 0.2 . 1 . . . . 172 GLN CA . 17757 1 210 . 1 1 55 55 GLN CB C 13 29.353 0.2 . 1 . . . . 172 GLN CB . 17757 1 211 . 1 1 56 56 ASN H H 1 8.436 0.05 . 1 . . . . 173 ASN H . 17757 1 212 . 1 1 56 56 ASN HA H 1 4.65 0.05 . 1 . . . . 173 ASN HA . 17757 1 213 . 1 1 56 56 ASN C C 13 174.882 0.2 . 1 . . . . 173 ASN C . 17757 1 214 . 1 1 56 56 ASN CA C 13 53.361 0.2 . 1 . . . . 173 ASN CA . 17757 1 215 . 1 1 56 56 ASN CB C 13 38.906 0.2 . 1 . . . . 173 ASN CB . 17757 1 216 . 1 1 57 57 ASN H H 1 8.259 0.05 . 1 . . . . 174 ASN H . 17757 1 217 . 1 1 57 57 ASN HA H 1 4.66 0.05 . 1 . . . . 174 ASN HA . 17757 1 218 . 1 1 57 57 ASN C C 13 174.818 0.2 . 1 . . . . 174 ASN C . 17757 1 219 . 1 1 57 57 ASN CA C 13 53.305 0.2 . 1 . . . . 174 ASN CA . 17757 1 220 . 1 1 57 57 ASN CB C 13 38.842 0.2 . 1 . . . . 174 ASN CB . 17757 1 221 . 1 1 58 58 PHE H H 1 8.13 0.05 . 1 . . . . 175 PHE H . 17757 1 222 . 1 1 58 58 PHE HA H 1 4.638 0.05 . 1 . . . . 175 PHE HA . 17757 1 223 . 1 1 58 58 PHE C C 13 175.59 0.2 . 1 . . . . 175 PHE C . 17757 1 224 . 1 1 58 58 PHE CA C 13 57.676 0.2 . 1 . . . . 175 PHE CA . 17757 1 225 . 1 1 58 58 PHE CB C 13 39.448 0.2 . 1 . . . . 175 PHE CB . 17757 1 226 . 1 1 59 59 VAL H H 1 8.025 0.05 . 1 . . . . 176 VAL H . 17757 1 227 . 1 1 59 59 VAL HA H 1 4.039 0.05 . 1 . . . . 176 VAL HA . 17757 1 228 . 1 1 59 59 VAL C C 13 175.819 0.2 . 1 . . . . 176 VAL C . 17757 1 229 . 1 1 59 59 VAL CA C 13 62.502 0.2 . 1 . . . . 176 VAL CA . 17757 1 230 . 1 1 59 59 VAL CB C 13 32.747 0.2 . 1 . . . . 176 VAL CB . 17757 1 231 . 1 1 60 60 HIS H H 1 8.572 0.05 . 1 . . . . 177 HIS H . 17757 1 232 . 1 1 60 60 HIS HA H 1 4.748 0.05 . 1 . . . . 177 HIS HA . 17757 1 233 . 1 1 60 60 HIS C C 13 174.09 0.2 . 1 . . . . 177 HIS C . 17757 1 234 . 1 1 60 60 HIS CA C 13 55.112 0.2 . 1 . . . . 177 HIS CA . 17757 1 235 . 1 1 60 60 HIS CB C 13 28.963 0.2 . 1 . . . . 177 HIS CB . 17757 1 236 . 1 1 61 61 ASP HA H 1 4.753 0.05 . 1 . . . . 178 ASP HA . 17757 1 237 . 1 1 62 62 SMC C C 13 174.335 0.2 . 1 . . . . 179 CYS C . 17757 1 238 . 1 1 62 62 SMC CA C 13 58.609 0.2 . 1 . . . . 179 CYS CA . 17757 1 239 . 1 1 62 62 SMC CB C 13 28.149 0.2 . 1 . . . . 179 CYS CB . 17757 1 240 . 1 1 63 63 VAL C C 13 175.574 0.2 . 1 . . . . 180 VAL C . 17757 1 241 . 1 1 63 63 VAL CA C 13 62.344 0.2 . 1 . . . . 180 VAL CA . 17757 1 242 . 1 1 63 63 VAL CB C 13 32.883 0.2 . 1 . . . . 180 VAL CB . 17757 1 243 . 1 1 64 64 ASN H H 1 8.478 0.05 . 1 . . . . 181 ASN H . 17757 1 244 . 1 1 64 64 ASN HA H 1 4.775 0.05 . 1 . . . . 181 ASN HA . 17757 1 245 . 1 1 64 64 ASN C C 13 174.954 0.2 . 1 . . . . 181 ASN C . 17757 1 246 . 1 1 64 64 ASN CA C 13 53.122 0.2 . 1 . . . . 181 ASN CA . 17757 1 247 . 1 1 64 64 ASN CB C 13 38.986 0.2 . 1 . . . . 181 ASN CB . 17757 1 248 . 1 1 65 65 ILE H H 1 8.134 0.05 . 1 . . . . 182 ILE H . 17757 1 249 . 1 1 65 65 ILE HA H 1 4.283 0.05 . 1 . . . . 182 ILE HA . 17757 1 250 . 1 1 65 65 ILE C C 13 176.155 0.2 . 1 . . . . 182 ILE C . 17757 1 251 . 1 1 65 65 ILE CA C 13 61.168 0.2 . 1 . . . . 182 ILE CA . 17757 1 252 . 1 1 65 65 ILE CB C 13 38.999 0.2 . 1 . . . . 182 ILE CB . 17757 1 253 . 1 1 66 66 THR H H 1 8.341 0.05 . 1 . . . . 183 THR H . 17757 1 254 . 1 1 66 66 THR HA H 1 4.395 0.05 . 1 . . . . 183 THR HA . 17757 1 255 . 1 1 66 66 THR C C 13 174.393 0.2 . 1 . . . . 183 THR C . 17757 1 256 . 1 1 66 66 THR CA C 13 62.121 0.2 . 1 . . . . 183 THR CA . 17757 1 257 . 1 1 66 66 THR CB C 13 69.952 0.2 . 1 . . . . 183 THR CB . 17757 1 258 . 1 1 67 67 ILE H H 1 8.231 0.05 . 1 . . . . 184 ILE H . 17757 1 259 . 1 1 67 67 ILE HA H 1 4.197 0.05 . 1 . . . . 184 ILE HA . 17757 1 260 . 1 1 67 67 ILE C C 13 176.043 0.2 . 1 . . . . 184 ILE C . 17757 1 261 . 1 1 67 67 ILE CA C 13 60.935 0.2 . 1 . . . . 184 ILE CA . 17757 1 262 . 1 1 67 67 ILE CB C 13 38.708 0.2 . 1 . . . . 184 ILE CB . 17757 1 263 . 1 1 68 68 LYS H H 1 8.461 0.05 . 1 . . . . 185 LYS H . 17757 1 264 . 1 1 68 68 LYS HA H 1 4.322 0.05 . 1 . . . . 185 LYS HA . 17757 1 265 . 1 1 68 68 LYS C C 13 176.374 0.2 . 1 . . . . 185 LYS C . 17757 1 266 . 1 1 68 68 LYS CA C 13 56.244 0.2 . 1 . . . . 185 LYS CA . 17757 1 267 . 1 1 68 68 LYS CB C 13 33.076 0.2 . 1 . . . . 185 LYS CB . 17757 1 268 . 1 1 69 69 GLN H H 1 8.461 0.05 . 1 . . . . 186 GLN H . 17757 1 269 . 1 1 69 69 GLN HA H 1 4.315 0.05 . 1 . . . . 186 GLN HA . 17757 1 270 . 1 1 69 69 GLN C C 13 175.884 0.2 . 1 . . . . 186 GLN C . 17757 1 271 . 1 1 69 69 GLN CA C 13 55.946 0.2 . 1 . . . . 186 GLN CA . 17757 1 272 . 1 1 69 69 GLN CB C 13 29.715 0.2 . 1 . . . . 186 GLN CB . 17757 1 273 . 1 1 70 70 HIS H H 1 8.773 0.05 . 1 . . . . 187 HIS H . 17757 1 274 . 1 1 70 70 HIS HA H 1 4.812 0.05 . 1 . . . . 187 HIS HA . 17757 1 275 . 1 1 70 70 HIS C C 13 174.445 0.2 . 1 . . . . 187 HIS C . 17757 1 276 . 1 1 70 70 HIS CA C 13 55.334 0.2 . 1 . . . . 187 HIS CA . 17757 1 277 . 1 1 70 70 HIS CB C 13 29.086 0.2 . 1 . . . . 187 HIS CB . 17757 1 278 . 1 1 71 71 THR C C 13 174.333 0.2 . 1 . . . . 188 THR C . 17757 1 279 . 1 1 71 71 THR CA C 13 62.016 0.2 . 1 . . . . 188 THR CA . 17757 1 280 . 1 1 71 71 THR CB C 13 70.152 0.2 . 1 . . . . 188 THR CB . 17757 1 281 . 1 1 72 72 VAL H H 1 8.408 0.05 . 1 . . . . 189 VAL H . 17757 1 282 . 1 1 72 72 VAL HA H 1 4.297 0.05 . 1 . . . . 189 VAL HA . 17757 1 283 . 1 1 72 72 VAL C C 13 176.21 0.2 . 1 . . . . 189 VAL C . 17757 1 284 . 1 1 72 72 VAL CA C 13 62.195 0.2 . 1 . . . . 189 VAL CA . 17757 1 285 . 1 1 72 72 VAL CB C 13 33.069 0.2 . 1 . . . . 189 VAL CB . 17757 1 286 . 1 1 73 73 THR H H 1 8.354 0.05 . 1 . . . . 190 THR H . 17757 1 287 . 1 1 73 73 THR HA H 1 4.518 0.05 . 1 . . . . 190 THR HA . 17757 1 288 . 1 1 73 73 THR C C 13 174.681 0.2 . 1 . . . . 190 THR C . 17757 1 289 . 1 1 73 73 THR CA C 13 61.733 0.2 . 1 . . . . 190 THR CA . 17757 1 290 . 1 1 73 73 THR CB C 13 70.026 0.2 . 1 . . . . 190 THR CB . 17757 1 291 . 1 1 74 74 THR H H 1 8.259 0.05 . 1 . . . . 191 THR H . 17757 1 292 . 1 1 74 74 THR HA H 1 4.517 0.05 . 1 . . . . 191 THR HA . 17757 1 293 . 1 1 74 74 THR C C 13 174.653 0.2 . 1 . . . . 191 THR C . 17757 1 294 . 1 1 74 74 THR CA C 13 61.67 0.2 . 1 . . . . 191 THR CA . 17757 1 295 . 1 1 74 74 THR CB C 13 70.041 0.2 . 1 . . . . 191 THR CB . 17757 1 296 . 1 1 75 75 THR H H 1 8.247 0.05 . 1 . . . . 192 THR H . 17757 1 297 . 1 1 75 75 THR HA H 1 4.52 0.05 . 1 . . . . 192 THR HA . 17757 1 298 . 1 1 75 75 THR C C 13 174.717 0.2 . 1 . . . . 192 THR C . 17757 1 299 . 1 1 75 75 THR CA C 13 61.643 0.2 . 1 . . . . 192 THR CA . 17757 1 300 . 1 1 75 75 THR CB C 13 70.059 0.2 . 1 . . . . 192 THR CB . 17757 1 301 . 1 1 76 76 THR H H 1 8.246 0.05 . 1 . . . . 193 THR H . 17757 1 302 . 1 1 76 76 THR HA H 1 4.527 0.05 . 1 . . . . 193 THR HA . 17757 1 303 . 1 1 76 76 THR C C 13 174.635 0.2 . 1 . . . . 193 THR C . 17757 1 304 . 1 1 76 76 THR CA C 13 61.817 0.2 . 1 . . . . 193 THR CA . 17757 1 305 . 1 1 76 76 THR CB C 13 69.992 0.2 . 1 . . . . 193 THR CB . 17757 1 306 . 1 1 77 77 LYS H H 1 8.362 0.05 . 1 . . . . 194 LYS H . 17757 1 307 . 1 1 77 77 LYS HA H 1 4.317 0.05 . 1 . . . . 194 LYS HA . 17757 1 308 . 1 1 77 77 LYS C C 13 176.924 0.2 . 1 . . . . 194 LYS C . 17757 1 309 . 1 1 77 77 LYS CA C 13 56.724 0.2 . 1 . . . . 194 LYS CA . 17757 1 310 . 1 1 77 77 LYS CB C 13 33.158 0.2 . 1 . . . . 194 LYS CB . 17757 1 311 . 1 1 78 78 GLY H H 1 8.445 0.05 . 1 . . . . 195 GLY H . 17757 1 312 . 1 1 78 78 GLY C C 13 173.95 0.2 . 1 . . . . 195 GLY C . 17757 1 313 . 1 1 78 78 GLY CA C 13 45.181 0.2 . 1 . . . . 195 GLY CA . 17757 1 314 . 1 1 79 79 GLU HA H 1 4.317 0.05 . 1 . . . . 196 GLU HA . 17757 1 315 . 1 1 80 80 ASN C C 13 174.886 0.2 . 1 . . . . 197 ASN C . 17757 1 316 . 1 1 80 80 ASN CA C 13 53.07 0.2 . 1 . . . . 197 ASN CA . 17757 1 317 . 1 1 80 80 ASN CB C 13 38.929 0.2 . 1 . . . . 197 ASN CB . 17757 1 318 . 1 1 81 81 PHE H H 1 8.25 0.05 . 1 . . . . 198 PHE H . 17757 1 319 . 1 1 81 81 PHE HA H 1 4.708 0.05 . 1 . . . . 198 PHE HA . 17757 1 320 . 1 1 81 81 PHE C C 13 175.844 0.2 . 1 . . . . 198 PHE C . 17757 1 321 . 1 1 81 81 PHE CA C 13 57.92 0.2 . 1 . . . . 198 PHE CA . 17757 1 322 . 1 1 81 81 PHE CB C 13 39.647 0.2 . 1 . . . . 198 PHE CB . 17757 1 323 . 1 1 82 82 THR H H 1 8.155 0.05 . 1 . . . . 199 THR H . 17757 1 324 . 1 1 82 82 THR HA H 1 4.324 0.05 . 1 . . . . 199 THR HA . 17757 1 325 . 1 1 82 82 THR C C 13 174.409 0.2 . 1 . . . . 199 THR C . 17757 1 326 . 1 1 82 82 THR CA C 13 62.052 0.2 . 1 . . . . 199 THR CA . 17757 1 327 . 1 1 82 82 THR CB C 13 70.034 0.2 . 1 . . . . 199 THR CB . 17757 1 328 . 1 1 83 83 GLU HA H 1 4.417 0.05 . 1 . . . . 200 GLU HA . 17757 1 329 . 1 1 84 84 THR H H 1 8.219 0.05 . 1 . . . . 201 THR H . 17757 1 330 . 1 1 84 84 THR HA H 1 4.331 0.05 . 1 . . . . 201 THR HA . 17757 1 331 . 1 1 84 84 THR C C 13 174.259 0.2 . 1 . . . . 201 THR C . 17757 1 332 . 1 1 84 84 THR CA C 13 62.061 0.2 . 1 . . . . 201 THR CA . 17757 1 333 . 1 1 84 84 THR CB C 13 69.891 0.2 . 1 . . . . 201 THR CB . 17757 1 334 . 1 1 86 86 VAL H H 1 8.03 0.05 . 1 . . . . 203 VAL H . 17757 1 335 . 1 1 86 86 VAL HA H 1 4.096 0.05 . 1 . . . . 203 VAL HA . 17757 1 336 . 1 1 86 86 VAL C C 13 176.147 0.2 . 1 . . . . 203 VAL C . 17757 1 337 . 1 1 86 86 VAL CA C 13 62.555 0.2 . 1 . . . . 203 VAL CA . 17757 1 338 . 1 1 86 86 VAL CB C 13 32.705 0.2 . 1 . . . . 203 VAL CB . 17757 1 339 . 1 1 87 87 LYS H H 1 8.394 0.05 . 1 . . . . 204 LYS H . 17757 1 340 . 1 1 87 87 LYS HA H 1 4.31 0.05 . 1 . . . . 204 LYS HA . 17757 1 341 . 1 1 87 87 LYS C C 13 176.906 0.2 . 1 . . . . 204 LYS C . 17757 1 342 . 1 1 87 87 LYS CA C 13 56.535 0.2 . 1 . . . . 204 LYS CA . 17757 1 343 . 1 1 87 87 LYS CB C 13 32.943 0.2 . 1 . . . . 204 LYS CB . 17757 1 344 . 1 1 88 88 MET HA H 1 4.574 0.05 . 1 . . . . 205 MET HA . 17757 1 345 . 1 1 89 89 MET HA H 1 4.565 0.05 . 1 . . . . 206 MET HA . 17757 1 346 . 1 1 90 90 GLU HA H 1 4.414 0.05 . 1 . . . . 207 GLU HA . 17757 1 347 . 1 1 91 91 ARG H H 1 8.574 0.05 . 1 . . . . 208 ARG H . 17757 1 348 . 1 1 91 91 ARG HA H 1 4.386 0.05 . 1 . . . . 208 ARG HA . 17757 1 349 . 1 1 91 91 ARG C C 13 176.045 0.2 . 1 . . . . 208 ARG C . 17757 1 350 . 1 1 91 91 ARG CA C 13 56.309 0.2 . 1 . . . . 208 ARG CA . 17757 1 351 . 1 1 91 91 ARG CB C 13 30.941 0.2 . 1 . . . . 208 ARG CB . 17757 1 352 . 1 1 92 92 VAL C C 13 175.968 0.2 . 1 . . . . 209 VAL C . 17757 1 353 . 1 1 92 92 VAL CA C 13 62.302 0.2 . 1 . . . . 209 VAL CA . 17757 1 354 . 1 1 92 92 VAL CB C 13 32.937 0.2 . 1 . . . . 209 VAL CB . 17757 1 355 . 1 1 93 93 VAL H H 1 8.35 0.05 . 1 . . . . 210 VAL H . 17757 1 356 . 1 1 93 93 VAL HA H 1 4.121 0.05 . 1 . . . . 210 VAL HA . 17757 1 357 . 1 1 93 93 VAL C C 13 175.967 0.2 . 1 . . . . 210 VAL C . 17757 1 358 . 1 1 93 93 VAL CA C 13 62.316 0.2 . 1 . . . . 210 VAL CA . 17757 1 359 . 1 1 93 93 VAL CB C 13 32.874 0.2 . 1 . . . . 210 VAL CB . 17757 1 360 . 1 1 94 94 GLU HA H 1 4.419 0.05 . 1 . . . . 211 GLU HA . 17757 1 361 . 1 1 95 95 GLN H H 1 8.566 0.05 . 1 . . . . 212 GLN H . 17757 1 362 . 1 1 95 95 GLN HA H 1 4.316 0.05 . 1 . . . . 212 GLN HA . 17757 1 363 . 1 1 95 95 GLN C C 13 176.135 0.2 . 1 . . . . 212 GLN C . 17757 1 364 . 1 1 95 95 GLN CA C 13 55.77 0.2 . 1 . . . . 212 GLN CA . 17757 1 365 . 1 1 95 95 GLN CB C 13 29.185 0.2 . 1 . . . . 212 GLN CB . 17757 1 366 . 1 1 96 96 MET HA H 1 4.634 0.05 . 1 . . . . 213 MET HA . 17757 1 367 . 1 1 97 97 SMC C C 13 174.492 0.2 . 1 . . . . 214 CYS C . 17757 1 368 . 1 1 97 97 SMC CA C 13 58.641 0.2 . 1 . . . . 214 CYS CA . 17757 1 369 . 1 1 97 97 SMC CB C 13 28.273 0.2 . 1 . . . . 214 CYS CB . 17757 1 370 . 1 1 98 98 ILE C C 13 176.368 0.2 . 1 . . . . 215 ILE C . 17757 1 371 . 1 1 98 98 ILE CA C 13 61.38 0.2 . 1 . . . . 215 ILE CA . 17757 1 372 . 1 1 98 98 ILE CB C 13 38.797 0.2 . 1 . . . . 215 ILE CB . 17757 1 373 . 1 1 99 99 THR H H 1 8.227 0.05 . 1 . . . . 216 THR H . 17757 1 374 . 1 1 99 99 THR HA H 1 4.318 0.05 . 1 . . . . 216 THR HA . 17757 1 375 . 1 1 99 99 THR C C 13 174.401 0.2 . 1 . . . . 216 THR C . 17757 1 376 . 1 1 99 99 THR CA C 13 62.013 0.2 . 1 . . . . 216 THR CA . 17757 1 377 . 1 1 99 99 THR CB C 13 69.96 0.2 . 1 . . . . 216 THR CB . 17757 1 378 . 1 1 100 100 GLN C C 13 175.59 0.2 . 1 . . . . 217 GLN C . 17757 1 379 . 1 1 100 100 GLN CA C 13 56.111 0.2 . 1 . . . . 217 GLN CA . 17757 1 380 . 1 1 100 100 GLN CB C 13 29.514 0.2 . 1 . . . . 217 GLN CB . 17757 1 381 . 1 1 101 101 TYR H H 1 8.228 0.05 . 1 . . . . 218 TYR H . 17757 1 382 . 1 1 101 101 TYR HA H 1 4.537 0.05 . 1 . . . . 218 TYR HA . 17757 1 383 . 1 1 101 101 TYR C C 13 175.897 0.2 . 1 . . . . 218 TYR C . 17757 1 384 . 1 1 101 101 TYR CA C 13 58.129 0.2 . 1 . . . . 218 TYR CA . 17757 1 385 . 1 1 101 101 TYR CB C 13 38.793 0.2 . 1 . . . . 218 TYR CB . 17757 1 386 . 1 1 102 102 GLU HA H 1 4.3 0.05 . 1 . . . . 219 GLU HA . 17757 1 387 . 1 1 103 103 ARG H H 1 8.353 0.05 . 1 . . . . 220 ARG H . 17757 1 388 . 1 1 103 103 ARG HA H 1 4.29 0.05 . 1 . . . . 220 ARG HA . 17757 1 389 . 1 1 103 103 ARG C C 13 176.44 0.2 . 1 . . . . 220 ARG C . 17757 1 390 . 1 1 103 103 ARG CA C 13 56.486 0.2 . 1 . . . . 220 ARG CA . 17757 1 391 . 1 1 103 103 ARG CB C 13 30.797 0.2 . 1 . . . . 220 ARG CB . 17757 1 392 . 1 1 104 104 GLU HA H 1 4.413 0.05 . 1 . . . . 221 GLU HA . 17757 1 393 . 1 1 105 105 SER H H 1 8.358 0.05 . 1 . . . . 222 SER H . 17757 1 394 . 1 1 105 105 SER HA H 1 4.417 0.05 . 1 . . . . 222 SER HA . 17757 1 395 . 1 1 105 105 SER C C 13 174.631 0.2 . 1 . . . . 222 SER C . 17757 1 396 . 1 1 105 105 SER CA C 13 58.596 0.2 . 1 . . . . 222 SER CA . 17757 1 397 . 1 1 105 105 SER CB C 13 63.965 0.2 . 1 . . . . 222 SER CB . 17757 1 398 . 1 1 106 106 GLN H H 1 8.424 0.05 . 1 . . . . 223 GLN H . 17757 1 399 . 1 1 106 106 GLN HA H 1 4.32 0.05 . 1 . . . . 223 GLN HA . 17757 1 400 . 1 1 106 106 GLN C C 13 175.724 0.2 . 1 . . . . 223 GLN C . 17757 1 401 . 1 1 106 106 GLN CA C 13 56.092 0.2 . 1 . . . . 223 GLN CA . 17757 1 402 . 1 1 106 106 GLN CB C 13 29.441 0.2 . 1 . . . . 223 GLN CB . 17757 1 403 . 1 1 107 107 ALA C C 13 177.311 0.2 . 1 . . . . 224 ALA C . 17757 1 404 . 1 1 107 107 ALA CA C 13 52.715 0.2 . 1 . . . . 224 ALA CA . 17757 1 405 . 1 1 107 107 ALA CB C 13 19.159 0.2 . 1 . . . . 224 ALA CB . 17757 1 406 . 1 1 108 108 TYR H H 1 8.023 0.05 . 1 . . . . 225 TYR H . 17757 1 407 . 1 1 108 108 TYR HA H 1 4.429 0.05 . 1 . . . . 225 TYR HA . 17757 1 408 . 1 1 108 108 TYR C C 13 175.498 0.2 . 1 . . . . 225 TYR C . 17757 1 409 . 1 1 108 108 TYR CA C 13 58.183 0.2 . 1 . . . . 225 TYR CA . 17757 1 410 . 1 1 108 108 TYR CB C 13 38.974 0.2 . 1 . . . . 225 TYR CB . 17757 1 411 . 1 1 109 109 TYR H H 1 7.962 0.05 . 1 . . . . 226 TYR H . 17757 1 412 . 1 1 109 109 TYR HA H 1 4.523 0.05 . 1 . . . . 226 TYR HA . 17757 1 413 . 1 1 109 109 TYR C C 13 175.353 0.2 . 1 . . . . 226 TYR C . 17757 1 414 . 1 1 109 109 TYR CA C 13 57.738 0.2 . 1 . . . . 226 TYR CA . 17757 1 415 . 1 1 109 109 TYR CB C 13 38.967 0.2 . 1 . . . . 226 TYR CB . 17757 1 416 . 1 1 110 110 GLN H H 1 8.24 0.05 . 1 . . . . 227 GLN H . 17757 1 417 . 1 1 110 110 GLN HA H 1 4.297 0.05 . 1 . . . . 227 GLN HA . 17757 1 418 . 1 1 110 110 GLN C C 13 175.634 0.2 . 1 . . . . 227 GLN C . 17757 1 419 . 1 1 110 110 GLN CA C 13 55.773 0.2 . 1 . . . . 227 GLN CA . 17757 1 420 . 1 1 110 110 GLN CB C 13 29.59 0.2 . 1 . . . . 227 GLN CB . 17757 1 421 . 1 1 111 111 ARG H H 1 8.355 0.05 . 1 . . . . 228 ARG H . 17757 1 422 . 1 1 111 111 ARG HA H 1 4.196 0.05 . 1 . . . . 228 ARG HA . 17757 1 423 . 1 1 111 111 ARG C C 13 176.704 0.2 . 1 . . . . 228 ARG C . 17757 1 424 . 1 1 111 111 ARG CA C 13 56.465 0.2 . 1 . . . . 228 ARG CA . 17757 1 425 . 1 1 111 111 ARG CB C 13 30.94 0.2 . 1 . . . . 228 ARG CB . 17757 1 426 . 1 1 112 112 GLY H H 1 8.465 0.05 . 1 . . . . 229 GLY H . 17757 1 427 . 1 1 112 112 GLY C C 13 173.788 0.2 . 1 . . . . 229 GLY C . 17757 1 428 . 1 1 113 113 SER H H 1 8.239 0.05 . 1 . . . . 230 SER H . 17757 1 429 . 1 1 113 113 SER HA H 1 4.51 0.05 . 1 . . . . 230 SER HA . 17757 1 430 . 1 1 113 113 SER CA C 13 57.861 0.2 . 1 . . . . 230 SER CA . 17757 1 431 . 1 1 113 113 SER CB C 13 64.087 0.2 . 1 . . . . 230 SER CB . 17757 1 stop_ save_