################################### # 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 19216 _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' . . . 19216 1 2 '3D 1H-15N NOESY-HSQC' . . . 19216 1 3 '3D 1H-15N TOCSY-HSQC' . . . 19216 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 1 1 GLY HA2 H 1 3.7850 0.05 . 2 . . . A 120 GLY HA2 . 19216 1 2 . 1 1 1 1 GLY HA3 H 1 3.9130 0.05 . 2 . . . A 120 GLY HA3 . 19216 1 3 . 1 1 2 2 SER H H 1 8.8500 0.05 . 1 . . . A 121 SER HN . 19216 1 4 . 1 1 2 2 SER HA H 1 4.3370 0.05 . 1 . . . A 121 SER HA . 19216 1 5 . 1 1 2 2 SER N N 15 115.7570 0.05 . 1 . . . A 121 SER N . 19216 1 6 . 1 1 3 3 LYS H H 1 8.7530 0.05 . 1 . . . A 122 LYS HN . 19216 1 7 . 1 1 3 3 LYS HA H 1 4.0340 0.05 . 1 . . . A 122 LYS HA . 19216 1 8 . 1 1 3 3 LYS HB2 H 1 1.8080 0.05 . 2 . . . A 122 LYS HB1 . 19216 1 9 . 1 1 3 3 LYS N N 15 123.2380 0.05 . 1 . . . A 122 LYS N . 19216 1 10 . 1 1 4 4 LYS H H 1 7.9100 0.05 . 1 . . . A 123 LYS HN . 19216 1 11 . 1 1 4 4 LYS HA H 1 3.8620 0.05 . 1 . . . A 123 LYS HA . 19216 1 12 . 1 1 4 4 LYS HB2 H 1 1.7440 0.05 . 2 . . . A 123 LYS HB1 . 19216 1 13 . 1 1 4 4 LYS HG2 H 1 1.4410 0.05 . 2 . . . A 123 LYS HG1 . 19216 1 14 . 1 1 4 4 LYS N N 15 117.9810 0.05 . 1 . . . A 123 LYS N . 19216 1 15 . 1 1 5 5 LYS H H 1 7.4450 0.05 . 1 . . . A 124 LYS HN . 19216 1 16 . 1 1 5 5 LYS HA H 1 4.0770 0.05 . 1 . . . A 124 LYS HA . 19216 1 17 . 1 1 5 5 LYS HB2 H 1 1.7650 0.05 . 2 . . . A 124 LYS HB1 . 19216 1 18 . 1 1 5 5 LYS HG2 H 1 1.4130 0.05 . 2 . . . A 124 LYS HG1 . 19216 1 19 . 1 1 5 5 LYS N N 15 115.4790 0.05 . 1 . . . A 124 LYS N . 19216 1 20 . 1 1 6 6 LEU H H 1 7.6870 0.05 . 1 . . . A 125 LEU HN . 19216 1 21 . 1 1 6 6 LEU HA H 1 4.2100 0.05 . 1 . . . A 125 LEU HA . 19216 1 22 . 1 1 6 6 LEU HB2 H 1 1.3860 0.05 . 2 . . . A 125 LEU HB2 . 19216 1 23 . 1 1 6 6 LEU HB3 H 1 1.6050 0.05 . 2 . . . A 125 LEU HB3 . 19216 1 24 . 1 1 6 6 LEU HG H 1 1.5130 0.05 . 1 . . . A 125 LEU HG . 19216 1 25 . 1 1 6 6 LEU HD11 H 1 0.7690 0.05 . 2 . . . A 125 LEU HD11 . 19216 1 26 . 1 1 6 6 LEU HD12 H 1 0.7690 0.05 . 2 . . . A 125 LEU HD12 . 19216 1 27 . 1 1 6 6 LEU HD13 H 1 0.7690 0.05 . 2 . . . A 125 LEU HD13 . 19216 1 28 . 1 1 6 6 LEU N N 15 117.3260 0.05 . 1 . . . A 125 LEU N . 19216 1 29 . 1 1 7 7 PHE H H 1 7.8190 0.05 . 1 . . . A 126 PHE H . 19216 1 30 . 1 1 7 7 PHE HA H 1 4.5540 0.05 . 1 . . . A 126 PHE HA . 19216 1 31 . 1 1 7 7 PHE HB2 H 1 3.1360 0.05 . 2 . . . A 126 PHE HB2 . 19216 1 32 . 1 1 7 7 PHE N N 15 117.0800 0.05 . 1 . . . A 126 PHE N . 19216 1 33 . 1 1 8 8 PRO HD2 H 1 3.7450 0.05 . 2 . . . A 127 PRO HD2 . 19216 1 34 . 1 1 9 9 GLN H H 1 8.2350 0.05 . 1 . . . A 128 GLN H . 19216 1 35 . 1 1 9 9 GLN HA H 1 4.0120 0.05 . 1 . . . A 128 GLN HA . 19216 1 36 . 1 1 9 9 GLN HB2 H 1 2.1370 0.05 . 2 . . . A 128 GLN HB2 . 19216 1 37 . 1 1 9 9 GLN N N 15 116.3660 0.05 . 1 . . . A 128 GLN N . 19216 1 38 . 1 1 10 10 ILE H H 1 7.9790 0.05 . 1 . . . A 129 ILE H . 19216 1 39 . 1 1 10 10 ILE HA H 1 3.6970 0.05 . 1 . . . A 129 ILE HA . 19216 1 40 . 1 1 10 10 ILE HB H 1 1.8800 0.05 . 1 . . . A 129 ILE HB . 19216 1 41 . 1 1 10 10 ILE HG21 H 1 0.8470 0.05 . 2 . . . A 129 ILE HG21 . 19216 1 42 . 1 1 10 10 ILE HG22 H 1 0.8470 0.05 . 1 . . . A 129 ILE HG22 . 19216 1 43 . 1 1 10 10 ILE HG23 H 1 0.8470 0.05 . 1 . . . A 129 ILE HG23 . 19216 1 44 . 1 1 10 10 ILE HG12 H 1 1.6010 0.05 . 1 . . . A 129 ILE HG12 . 19216 1 45 . 1 1 10 10 ILE HG13 H 1 2.1670 0.05 . 1 . . . A 129 ILE HG13 . 19216 1 46 . 1 1 10 10 ILE N N 15 119.0300 0.05 . 1 . . . A 129 ILE N . 19216 1 47 . 1 1 11 11 ASN H H 1 7.9470 0.05 . 1 . . . A 130 ASN H . 19216 1 48 . 1 1 11 11 ASN HA H 1 4.3690 0.05 . 1 . . . A 130 ASN HA . 19216 1 49 . 1 1 11 11 ASN HB3 H 1 2.5140 0.05 . 2 . . . A 130 ASN HB3 . 19216 1 50 . 1 1 11 11 ASN N N 15 117.8620 0.05 . 1 . . . A 130 ASN N . 19216 1 51 . 1 1 12 12 PHE H H 1 8.1910 0.05 . 1 . . . A 131 PHE H . 19216 1 52 . 1 1 12 12 PHE HA H 1 4.1920 0.05 . 1 . . . A 131 PHE HA . 19216 1 53 . 1 1 12 12 PHE HB2 H 1 3.1560 0.05 . 2 . . . A 131 PHE HB2 . 19216 1 54 . 1 1 12 12 PHE N N 15 121.2640 0.05 . 1 . . . A 131 PHE N . 19216 1 55 . 1 1 13 13 LEU H H 1 8.1330 0.05 . 1 . . . A 132 LEU H . 19216 1 56 . 1 1 13 13 LEU HA H 1 3.8170 0.05 . 1 . . . A 132 LEU HA . 19216 1 57 . 1 1 13 13 LEU HB3 H 1 1.7880 0.05 . 2 . . . A 132 LEU HB3 . 19216 1 58 . 1 1 13 13 LEU HG H 1 1.5810 0.05 . 1 . . . A 132 LEU HG . 19216 1 59 . 1 1 13 13 LEU HD11 H 1 0.8620 0.05 . 2 . . . A 132 LEU HD11 . 19216 1 60 . 1 1 13 13 LEU HD12 H 1 0.8620 0.05 . 2 . . . A 132 LEU HD12 . 19216 1 61 . 1 1 13 13 LEU HD13 H 1 0.8620 0.05 . 2 . . . A 132 LEU HD13 . 19216 1 62 . 1 1 13 13 LEU N N 15 119.1360 0.05 . 1 . . . A 132 LEU N . 19216 1 63 . 1 1 14 14 GLY H H 1 8.5520 0.05 . 1 . . . A 133 GLY H . 19216 1 64 . 1 1 14 14 GLY HA3 H 1 3.6850 0.05 . 2 . . . A 133 GLY HA3 . 19216 1 65 . 1 1 14 14 GLY N N 15 104.7750 0.05 . 1 . . . A 133 GLY N . 19216 1 66 . 1 1 15 15 SER H H 1 7.8940 0.05 . 1 . . . A 134 SER H . 19216 1 67 . 1 1 15 15 SER HA H 1 4.0000 0.05 . 1 . . . A 134 SER HA . 19216 1 68 . 1 1 15 15 SER HB3 H 1 3.7860 0.05 . 2 . . . A 134 SER HB3 . 19216 1 69 . 1 1 15 15 SER N N 15 117.1800 0.05 . 1 . . . A 134 SER N . 19216 1 70 . 1 1 16 16 LEU H H 1 7.6170 0.05 . 1 . . . A 135 LEU H . 19216 1 71 . 1 1 16 16 LEU HA H 1 3.8270 0.05 . 1 . . . A 135 LEU HA . 19216 1 72 . 1 1 16 16 LEU HB3 H 1 1.6390 0.05 . 2 . . . A 135 LEU HB3 . 19216 1 73 . 1 1 16 16 LEU HG H 1 1.4110 0.05 . 1 . . . A 135 LEU HG . 19216 1 74 . 1 1 16 16 LEU HD11 H 1 0.6210 0.05 . 2 . . . A 135 LEU HD11 . 19216 1 75 . 1 1 16 16 LEU HD12 H 1 0.6210 0.05 . 2 . . . A 135 LEU HD12 . 19216 1 76 . 1 1 16 16 LEU HD13 H 1 0.6210 0.05 . 2 . . . A 135 LEU HD13 . 19216 1 77 . 1 1 16 16 LEU N N 15 122.7470 0.05 . 1 . . . A 135 LEU N . 19216 1 78 . 1 1 17 17 LEU H H 1 7.9060 0.05 . 1 . . . A 136 LEU H . 19216 1 79 . 1 1 17 17 LEU HA H 1 3.9840 0.05 . 1 . . . A 136 LEU HA . 19216 1 80 . 1 1 17 17 LEU HB3 H 1 1.7340 0.05 . 2 . . . A 136 LEU HB3 . 19216 1 81 . 1 1 17 17 LEU HD11 H 1 0.7950 0.05 . 2 . . . A 136 LEU HD11 . 19216 1 82 . 1 1 17 17 LEU HD12 H 1 0.7950 0.05 . 2 . . . A 136 LEU HD12 . 19216 1 83 . 1 1 17 17 LEU HD13 H 1 0.7950 0.05 . 2 . . . A 136 LEU HD13 . 19216 1 84 . 1 1 17 17 LEU N N 15 119.7370 0.05 . 1 . . . A 136 LEU N . 19216 1 85 . 1 1 18 18 ILE H H 1 8.1160 0.05 . 1 . . . A 137 ILE H . 19216 1 86 . 1 1 18 18 ILE HA H 1 3.5070 0.05 . 1 . . . A 137 ILE HA . 19216 1 87 . 1 1 18 18 ILE HB H 1 1.8610 0.05 . 1 . . . A 137 ILE HB . 19216 1 88 . 1 1 18 18 ILE HG12 H 1 1.0790 0.05 . 2 . . . A 137 ILE HG12 . 19216 1 89 . 1 1 18 18 ILE HG13 H 1 0.8290 0.05 . 2 . . . A 137 ILE HG13 . 19216 1 90 . 1 1 18 18 ILE HG21 H 1 1.0790 0.05 . 1 . . . A 137 ILE HG21 . 19216 1 91 . 1 1 18 18 ILE HG22 H 1 1.0790 0.05 . 1 . . . A 137 ILE HG22 . 19216 1 92 . 1 1 18 18 ILE HG23 H 1 1.0790 0.05 . 1 . . . A 137 ILE HG23 . 19216 1 93 . 1 1 18 18 ILE N N 15 119.4850 0.05 . 1 . . . A 137 ILE N . 19216 1 94 . 1 1 19 19 ALA H H 1 8.3150 0.05 . 1 . . . A 138 ALA H . 19216 1 95 . 1 1 19 19 ALA HA H 1 3.9110 0.05 . 1 . . . A 138 ALA HA . 19216 1 96 . 1 1 19 19 ALA HB1 H 1 1.4400 0.05 . 1 . . . A 138 ALA HB1 . 19216 1 97 . 1 1 19 19 ALA HB2 H 1 1.4400 0.05 . 1 . . . A 138 ALA HB2 . 19216 1 98 . 1 1 19 19 ALA HB3 H 1 1.4400 0.05 . 1 . . . A 138 ALA HB3 . 19216 1 99 . 1 1 19 19 ALA N N 15 121.2940 0.05 . 1 . . . A 138 ALA N . 19216 1 100 . 1 1 20 20 GLY H H 1 8.7420 0.05 . 1 . . . A 139 GLY H . 19216 1 101 . 1 1 20 20 GLY HA2 H 1 3.7450 0.05 . 2 . . . A 139 GLY HA2 . 19216 1 102 . 1 1 20 20 GLY HA3 H 1 3.8020 0.05 . 2 . . . A 139 GLY HA3 . 19216 1 103 . 1 1 20 20 GLY N N 15 108.0740 0.05 . 1 . . . A 139 GLY N . 19216 1 104 . 1 1 21 21 CYS H H 1 8.3350 0.05 . 1 . . . A 140 CYS H . 19216 1 105 . 1 1 21 21 CYS HA H 1 4.0550 0.05 . 1 . . . A 140 CYS HA . 19216 1 106 . 1 1 21 21 CYS HB2 H 1 2.7370 0.05 . 2 . . . A 140 CYS HB2 . 19216 1 107 . 1 1 21 21 CYS HB3 H 1 3.1460 0.05 . 2 . . . A 140 CYS HB3 . 19216 1 108 . 1 1 21 21 CYS HG H 1 2.4690 0.05 . 1 . . . A 140 CYS HG . 19216 1 109 . 1 1 21 21 CYS N N 15 122.3050 0.05 . 1 . . . A 140 CYS N . 19216 1 110 . 1 1 22 22 ILE H H 1 8.4340 0.05 . 1 . . . A 141 ILE H . 19216 1 111 . 1 1 22 22 ILE HA H 1 3.6060 0.05 . 1 . . . A 141 ILE HA . 19216 1 112 . 1 1 22 22 ILE HB H 1 1.8230 0.05 . 1 . . . A 141 ILE HB . 19216 1 113 . 1 1 22 22 ILE HG12 H 1 1.0410 0.05 . 2 . . . A 141 ILE HG12 . 19216 1 114 . 1 1 22 22 ILE HG13 H 1 1.6950 0.05 . 2 . . . A 141 ILE HG13 . 19216 1 115 . 1 1 22 22 ILE HG21 H 1 0.8240 0.05 . 1 . . . A 141 ILE HG21 . 19216 1 116 . 1 1 22 22 ILE HG22 H 1 0.8240 0.05 . 1 . . . A 141 ILE HG22 . 19216 1 117 . 1 1 22 22 ILE HG23 H 1 0.8240 0.05 . 1 . . . A 141 ILE HG23 . 19216 1 118 . 1 1 22 22 ILE N N 15 119.7900 0.05 . 1 . . . A 141 ILE N . 19216 1 119 . 1 1 23 23 THR H H 1 8.1350 0.05 . 1 . . . A 142 THR H . 19216 1 120 . 1 1 23 23 THR HA H 1 3.8260 0.05 . 1 . . . A 142 THR HA . 19216 1 121 . 1 1 23 23 THR HB H 1 4.1590 0.05 . 1 . . . A 142 THR HB . 19216 1 122 . 1 1 23 23 THR HG21 H 1 1.1860 0.05 . 1 . . . A 142 THR HG21 . 19216 1 123 . 1 1 23 23 THR HG22 H 1 1.1860 0.05 . 1 . . . A 142 THR HG22 . 19216 1 124 . 1 1 23 23 THR HG23 H 1 1.1860 0.05 . 1 . . . A 142 THR HG23 . 19216 1 125 . 1 1 23 23 THR N N 15 113.8810 0.05 . 1 . . . A 142 THR N . 19216 1 126 . 1 1 24 24 SER H H 1 7.6450 0.05 . 1 . . . A 143 SER H . 19216 1 127 . 1 1 24 24 SER HA H 1 4.1860 0.05 . 1 . . . A 143 SER HA . 19216 1 128 . 1 1 24 24 SER HB3 H 1 3.8890 0.05 . 2 . . . A 143 SER HB3 . 19216 1 129 . 1 1 24 24 SER N N 15 113.3410 0.05 . 1 . . . A 143 SER N . 19216 1 130 . 1 1 25 25 THR H H 1 7.3450 0.05 . 1 . . . A 144 THR H . 19216 1 131 . 1 1 25 25 THR HA H 1 4.1950 0.05 . 1 . . . A 144 THR HA . 19216 1 132 . 1 1 25 25 THR HG21 H 1 1.2280 0.05 . 1 . . . A 144 THR HG21 . 19216 1 133 . 1 1 25 25 THR HG22 H 1 1.2280 0.05 . 1 . . . A 144 THR HG22 . 19216 1 134 . 1 1 25 25 THR HG23 H 1 1.2280 0.05 . 1 . . . A 144 THR HG23 . 19216 1 135 . 1 1 25 25 THR N N 15 109.9090 0.05 . 1 . . . A 144 THR N . 19216 1 136 . 1 1 26 26 ASP H H 1 7.8810 0.05 . 1 . . . A 145 ASP H . 19216 1 137 . 1 1 26 26 ASP HA H 1 4.8200 0.05 . 1 . . . A 145 ASP HA . 19216 1 138 . 1 1 26 26 ASP HB2 H 1 2.8490 0.05 . 2 . . . A 145 ASP HB2 . 19216 1 139 . 1 1 26 26 ASP HB3 H 1 2.9890 0.05 . 2 . . . A 145 ASP HB3 . 19216 1 140 . 1 1 26 26 ASP N N 15 117.9090 0.05 . 1 . . . A 145 ASP N . 19216 1 141 . 1 1 27 27 PRO HA H 1 3.7660 0.05 . 1 . . . A 146 PRO HA . 19216 1 142 . 1 1 27 27 PRO HB2 H 1 1.8480 0.05 . 2 . . . A 146 PRO HB2 . 19216 1 143 . 1 1 28 28 VAL H H 1 7.2020 0.05 . 1 . . . A 147 VAL H . 19216 1 144 . 1 1 28 28 VAL HA H 1 3.5680 0.05 . 1 . . . A 147 VAL HA . 19216 1 145 . 1 1 28 28 VAL HB H 1 2.0500 0.05 . 1 . . . A 147 VAL HB . 19216 1 146 . 1 1 28 28 VAL HG11 H 1 0.9730 0.05 . 2 . . . A 147 VAL HG11 . 19216 1 147 . 1 1 28 28 VAL HG12 H 1 0.9730 0.05 . 2 . . . A 147 VAL HG12 . 19216 1 148 . 1 1 28 28 VAL HG13 H 1 0.9730 0.05 . 2 . . . A 147 VAL HG13 . 19216 1 149 . 1 1 28 28 VAL N N 15 115.6980 0.05 . 1 . . . A 147 VAL N . 19216 1 150 . 1 1 29 29 LEU H H 1 7.2530 0.05 . 1 . . . A 148 LEU H . 19216 1 151 . 1 1 29 29 LEU HA H 1 3.9570 0.05 . 1 . . . A 148 LEU HA . 19216 1 152 . 1 1 29 29 LEU HB3 H 1 1.5890 0.05 . 2 . . . A 148 LEU HB3 . 19216 1 153 . 1 1 29 29 LEU HD11 H 1 0.8540 0.05 . 2 . . . A 148 LEU HD11 . 19216 1 154 . 1 1 29 29 LEU HD12 H 1 0.8540 0.05 . 2 . . . A 148 LEU HD12 . 19216 1 155 . 1 1 29 29 LEU HD13 H 1 0.8540 0.05 . 2 . . . A 148 LEU HD13 . 19216 1 156 . 1 1 29 29 LEU N N 15 117.8720 0.05 . 1 . . . A 148 LEU N . 19216 1 157 . 1 1 30 30 SER H H 1 7.9140 0.05 . 1 . . . A 149 SER H . 19216 1 158 . 1 1 30 30 SER HA H 1 3.9330 0.05 . 1 . . . A 149 SER HA . 19216 1 159 . 1 1 30 30 SER HB3 H 1 3.7460 0.05 . 2 . . . A 149 SER HB3 . 19216 1 160 . 1 1 30 30 SER N N 15 112.2190 0.05 . 1 . . . A 149 SER N . 19216 1 161 . 1 1 31 31 ALA H H 1 7.6950 0.05 . 1 . . . A 150 ALA H . 19216 1 162 . 1 1 31 31 ALA HA H 1 3.9050 0.05 . 1 . . . A 150 ALA HA . 19216 1 163 . 1 1 31 31 ALA HB1 H 1 1.4640 0.05 . 1 . . . A 150 ALA HB1 . 19216 1 164 . 1 1 31 31 ALA HB2 H 1 1.4640 0.05 . 1 . . . A 150 ALA HB2 . 19216 1 165 . 1 1 31 31 ALA HB3 H 1 1.4640 0.05 . 1 . . . A 150 ALA HB3 . 19216 1 166 . 1 1 31 31 ALA N N 15 122.2080 0.05 . 1 . . . A 150 ALA N . 19216 1 167 . 1 1 32 32 LEU H H 1 7.7430 0.05 . 1 . . . A 151 LEU H . 19216 1 168 . 1 1 32 32 LEU HA H 1 3.9430 0.05 . 1 . . . A 151 LEU HA . 19216 1 169 . 1 1 32 32 LEU HB3 H 1 1.8830 0.05 . 2 . . . A 151 LEU HB3 . 19216 1 170 . 1 1 32 32 LEU HD11 H 1 0.7820 0.05 . 2 . . . A 151 LEU HD11 . 19216 1 171 . 1 1 32 32 LEU HD12 H 1 0.7820 0.05 . 2 . . . A 151 LEU HD12 . 19216 1 172 . 1 1 32 32 LEU HD13 H 1 0.7820 0.05 . 2 . . . A 151 LEU HD13 . 19216 1 173 . 1 1 32 32 LEU N N 15 117.3680 0.05 . 1 . . . A 151 LEU N . 19216 1 174 . 1 1 33 33 ILE H H 1 7.8610 0.05 . 1 . . . A 152 ILE H . 19216 1 175 . 1 1 33 33 ILE HA H 1 3.6340 0.05 . 1 . . . A 152 ILE HA . 19216 1 176 . 1 1 33 33 ILE HB H 1 1.8710 0.05 . 1 . . . A 152 ILE HB . 19216 1 177 . 1 1 33 33 ILE HG12 H 1 1.0320 0.05 . 2 . . . A 152 ILE HG12 . 19216 1 178 . 1 1 33 33 ILE HG13 H 1 1.6820 0.05 . 2 . . . A 152 ILE HG13 . 19216 1 179 . 1 1 33 33 ILE HG21 H 1 0.7880 0.05 . 1 . . . A 152 ILE HG21 . 19216 1 180 . 1 1 33 33 ILE HG22 H 1 0.7880 0.05 . 1 . . . A 152 ILE HG22 . 19216 1 181 . 1 1 33 33 ILE HG23 H 1 0.7880 0.05 . 1 . . . A 152 ILE HG23 . 19216 1 182 . 1 1 33 33 ILE N N 15 117.3890 0.05 . 1 . . . A 152 ILE N . 19216 1 183 . 1 1 34 34 VAL H H 1 8.0520 0.05 . 1 . . . A 153 VAL H . 19216 1 184 . 1 1 34 34 VAL HA H 1 3.6660 0.05 . 1 . . . A 153 VAL HA . 19216 1 185 . 1 1 34 34 VAL HB H 1 2.0490 0.05 . 1 . . . A 153 VAL HB . 19216 1 186 . 1 1 34 34 VAL HG11 H 1 0.9470 0.05 . 2 . . . A 153 VAL HG11 . 19216 1 187 . 1 1 34 34 VAL HG12 H 1 0.9470 0.05 . 2 . . . A 153 VAL HG12 . 19216 1 188 . 1 1 34 34 VAL HG13 H 1 0.9470 0.05 . 2 . . . A 153 VAL HG13 . 19216 1 189 . 1 1 34 34 VAL HG21 H 1 0.8340 0.05 . 2 . . . A 153 VAL HG21 . 19216 1 190 . 1 1 34 34 VAL HG22 H 1 0.8340 0.05 . 2 . . . A 153 VAL HG22 . 19216 1 191 . 1 1 34 34 VAL HG23 H 1 0.8340 0.05 . 2 . . . A 153 VAL HG23 . 19216 1 192 . 1 1 34 34 VAL N N 15 117.2970 0.05 . 1 . . . A 153 VAL N . 19216 1 193 . 1 1 35 35 GLY H H 1 8.0620 0.05 . 1 . . . A 154 GLY H . 19216 1 194 . 1 1 35 35 GLY HA2 H 1 3.6900 0.05 . 2 . . . A 154 GLY HA2 . 19216 1 195 . 1 1 35 35 GLY HA3 H 1 3.8210 0.05 . 2 . . . A 154 GLY HA3 . 19216 1 196 . 1 1 35 35 GLY N N 15 106.2630 0.05 . 1 . . . A 154 GLY N . 19216 1 197 . 1 1 36 36 LYS H H 1 7.6370 0.05 . 1 . . . A 155 LYS HN . 19216 1 198 . 1 1 36 36 LYS HA H 1 4.1840 0.05 . 1 . . . A 155 LYS HA . 19216 1 199 . 1 1 36 36 LYS HB2 H 1 1.8230 0.05 . 2 . . . A 155 LYS HB1 . 19216 1 200 . 1 1 36 36 LYS HG2 H 1 1.4490 0.05 . 2 . . . A 155 LYS HG1 . 19216 1 201 . 1 1 36 36 LYS N N 15 118.4340 0.05 . 1 . . . A 155 LYS N . 19216 1 202 . 1 1 37 37 LYS H H 1 8.0300 0.05 . 1 . . . A 156 LYS HN . 19216 1 203 . 1 1 37 37 LYS HA H 1 4.1800 0.05 . 1 . . . A 156 LYS HA . 19216 1 204 . 1 1 37 37 LYS HB2 H 1 1.8080 0.05 . 2 . . . A 156 LYS HB1 . 19216 1 205 . 1 1 37 37 LYS HG2 H 1 1.4430 0.05 . 2 . . . A 156 LYS HG1 . 19216 1 206 . 1 1 37 37 LYS N N 15 119.2630 0.05 . 1 . . . A 156 LYS N . 19216 1 207 . 1 1 38 38 LYS H H 1 7.9020 0.05 . 1 . . . A 157 LYS HN . 19216 1 208 . 1 1 38 38 LYS HA H 1 4.2890 0.05 . 1 . . . A 157 LYS HA . 19216 1 209 . 1 1 38 38 LYS HB2 H 1 1.7470 0.05 . 2 . . . A 157 LYS HB2 . 19216 1 210 . 1 1 38 38 LYS HG2 H 1 1.3750 0.05 . 2 . . . A 157 LYS HG1 . 19216 1 211 . 1 1 38 38 LYS N N 15 118.1550 0.05 . 1 . . . A 157 LYS N . 19216 1 stop_ save_