################################### # 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 18185 _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 '3D HNCO' . . . 18185 1 2 '3D HN(CO)CA' . . . 18185 1 3 '2D 1H-15N HSQC' . . . 18185 1 4 '3D 1H-13C NOESY' . . . 18185 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 MET H H 1 8.3950 . . 1 . . . . 6 MET H . 18185 1 2 . 1 1 3 3 MET N N 15 121.0020 . . 1 . . . . 6 MET N . 18185 1 3 . 1 1 4 4 GLY H H 1 8.2970 . . 1 . . . . 7 GLY H . 18185 1 4 . 1 1 4 4 GLY N N 15 111.2400 . . 1 . . . . 7 GLY N . 18185 1 5 . 1 1 5 5 MET H H 1 7.9810 . . 1 . . . . 8 MET H . 18185 1 6 . 1 1 5 5 MET N N 15 122.0230 . . 1 . . . . 8 MET N . 18185 1 7 . 1 1 7 7 LEU H H 1 8.1440 . . 1 . . . . 10 LEU H . 18185 1 8 . 1 1 7 7 LEU N N 15 122.9370 . . 1 . . . . 10 LEU N . 18185 1 9 . 1 1 8 8 PHE H H 1 8.0370 . . 1 . . . . 11 PHE H . 18185 1 10 . 1 1 8 8 PHE N N 15 121.7070 . . 1 . . . . 11 PHE N . 18185 1 11 . 1 1 9 9 THR H H 1 7.9010 . . 1 . . . . 12 THR H . 18185 1 12 . 1 1 9 9 THR N N 15 117.9730 . . 1 . . . . 12 THR N . 18185 1 13 . 1 1 10 10 ALA H H 1 8.1130 . . 1 . . . . 13 ALA H . 18185 1 14 . 1 1 10 10 ALA N N 15 127.7710 . . 1 . . . . 13 ALA N . 18185 1 15 . 1 1 11 11 ASN H H 1 8.4770 . . 1 . . . . 14 ASN H . 18185 1 16 . 1 1 11 11 ASN N N 15 121.5910 . . 1 . . . . 14 ASN N . 18185 1 17 . 1 1 13 13 PHE H H 1 8.6490 . . 1 . . . . 16 PHE H . 18185 1 18 . 1 1 13 13 PHE N N 15 116.7050 . . 1 . . . . 16 PHE N . 18185 1 19 . 1 1 14 14 GLU H H 1 7.4250 . . 1 . . . . 17 GLU H . 18185 1 20 . 1 1 14 14 GLU N N 15 121.3090 . . 1 . . . . 17 GLU N . 18185 1 21 . 1 1 15 15 GLN H H 1 8.3380 . . 1 . . . . 18 GLN H . 18185 1 22 . 1 1 15 15 GLN N N 15 119.1100 . . 1 . . . . 18 GLN N . 18185 1 23 . 1 1 16 16 ASP H H 1 8.4090 . . 1 . . . . 19 ASP H . 18185 1 24 . 1 1 16 16 ASP N N 15 122.0870 . . 1 . . . . 19 ASP N . 18185 1 25 . 1 1 17 17 VAL H H 1 8.3090 . . 1 . . . . 20 VAL H . 18185 1 26 . 1 1 17 17 VAL N N 15 119.4980 . . 1 . . . . 20 VAL N . 18185 1 27 . 1 1 18 18 GLU H H 1 8.3320 . . 1 . . . . 21 GLU H . 18185 1 28 . 1 1 18 18 GLU N N 15 125.0080 . . 1 . . . . 21 GLU N . 18185 1 29 . 1 1 19 19 LYS H H 1 7.6080 . . 1 . . . . 22 LYS H . 18185 1 30 . 1 1 19 19 LYS N N 15 119.9760 . . 1 . . . . 22 LYS N . 18185 1 31 . 1 1 20 20 ALA H H 1 8.0130 . . 1 . . . . 23 ALA H . 18185 1 32 . 1 1 20 20 ALA N N 15 120.7100 . . 1 . . . . 23 ALA N . 18185 1 33 . 1 1 21 21 THR H H 1 7.0660 . . 1 . . . . 24 THR H . 18185 1 34 . 1 1 21 21 THR N N 15 105.1180 . . 1 . . . . 24 THR N . 18185 1 35 . 1 1 22 22 ASN H H 1 6.3280 . . 1 . . . . 25 ASN H . 18185 1 36 . 1 1 22 22 ASN N N 15 123.1610 . . 1 . . . . 25 ASN N . 18185 1 37 . 1 1 23 23 GLU H H 1 9.1760 . . 1 . . . . 26 GLU H . 18185 1 38 . 1 1 23 23 GLU N N 15 128.0450 . . 1 . . . . 26 GLU N . 18185 1 39 . 1 1 24 24 TYR H H 1 8.1230 . . 1 . . . . 27 TYR H . 18185 1 40 . 1 1 24 24 TYR N N 15 117.0870 . . 1 . . . . 27 TYR N . 18185 1 41 . 1 1 25 25 ASN H H 1 7.3640 . . 1 . . . . 28 ASN H . 18185 1 42 . 1 1 25 25 ASN N N 15 120.6500 . . 1 . . . . 28 ASN N . 18185 1 43 . 1 1 26 26 THR H H 1 9.0200 . . 1 . . . . 29 THR H . 18185 1 44 . 1 1 26 26 THR N N 15 115.5070 . . 1 . . . . 29 THR N . 18185 1 45 . 1 1 27 27 THR H H 1 7.4390 . . 1 . . . . 30 THR H . 18185 1 46 . 1 1 27 27 THR N N 15 115.4810 . . 1 . . . . 30 THR N . 18185 1 47 . 1 1 28 28 GLU H H 1 8.5110 . . 1 . . . . 31 GLU H . 18185 1 48 . 1 1 28 28 GLU N N 15 124.2850 . . 1 . . . . 31 GLU N . 18185 1 49 . 1 1 29 29 ASP H H 1 8.6800 . . 1 . . . . 32 ASP H . 18185 1 50 . 1 1 29 29 ASP N N 15 124.8250 . . 1 . . . . 32 ASP N . 18185 1 51 . 1 1 30 30 TRP H H 1 8.4800 . . 1 . . . . 33 TRP H . 18185 1 52 . 1 1 30 30 TRP N N 15 125.5280 . . 1 . . . . 33 TRP N . 18185 1 53 . 1 1 31 31 SER H H 1 8.2180 . . 1 . . . . 34 SER H . 18185 1 54 . 1 1 31 31 SER N N 15 118.0360 . . 1 . . . . 34 SER N . 18185 1 55 . 1 1 32 32 LEU H H 1 7.0550 . . 1 . . . . 35 LEU H . 18185 1 56 . 1 1 32 32 LEU N N 15 124.7610 . . 1 . . . . 35 LEU N . 18185 1 57 . 1 1 33 33 ILE H H 1 7.6640 . . 1 . . . . 36 ILE H . 18185 1 58 . 1 1 33 33 ILE N N 15 119.4640 . . 1 . . . . 36 ILE N . 18185 1 59 . 1 1 35 35 ASP H H 1 7.7740 . . 1 . . . . 38 ASP H . 18185 1 60 . 1 1 35 35 ASP N N 15 123.0650 . . 1 . . . . 38 ASP N . 18185 1 61 . 1 1 37 37 CYS H H 1 7.8390 . . 1 . . . . 40 CYS H . 18185 1 62 . 1 1 37 37 CYS N N 15 117.3390 . . 1 . . . . 40 CYS N . 18185 1 63 . 1 1 40 40 VAL H H 1 8.2120 . . 1 . . . . 43 VAL H . 18185 1 64 . 1 1 40 40 VAL N N 15 122.9780 . . 1 . . . . 43 VAL N . 18185 1 65 . 1 1 41 41 GLY H H 1 7.2950 . . 1 . . . . 44 GLY H . 18185 1 66 . 1 1 41 41 GLY N N 15 103.0640 . . 1 . . . . 44 GLY N . 18185 1 67 . 1 1 42 42 SER H H 1 7.5860 . . 1 . . . . 45 SER H . 18185 1 68 . 1 1 42 42 SER N N 15 113.5970 . . 1 . . . . 45 SER N . 18185 1 69 . 1 1 43 43 THR H H 1 7.2410 . . 1 . . . . 46 THR H . 18185 1 70 . 1 1 43 43 THR N N 15 118.5520 . . 1 . . . . 46 THR N . 18185 1 71 . 1 1 46 46 GLY H H 1 8.1390 . . 1 . . . . 49 GLY H . 18185 1 72 . 1 1 46 46 GLY N N 15 107.9410 . . 1 . . . . 49 GLY N . 18185 1 73 . 1 1 47 47 ALA H H 1 8.3370 . . 1 . . . . 50 ALA H . 18185 1 74 . 1 1 47 47 ALA N N 15 122.6970 . . 1 . . . . 50 ALA N . 18185 1 75 . 1 1 48 48 LYS H H 1 7.5020 . . 1 . . . . 51 LYS H . 18185 1 76 . 1 1 48 48 LYS N N 15 119.2000 . . 1 . . . . 51 LYS N . 18185 1 77 . 1 1 50 50 CYS H H 1 8.3130 . . 1 . . . . 53 CYS H . 18185 1 78 . 1 1 50 50 CYS N N 15 123.1480 . . 1 . . . . 53 CYS N . 18185 1 79 . 1 1 51 51 LEU H H 1 7.6640 . . 1 . . . . 54 LEU H . 18185 1 80 . 1 1 51 51 LEU N N 15 119.4640 . . 1 . . . . 54 LEU N . 18185 1 81 . 1 1 52 52 LYS H H 1 7.5680 . . 1 . . . . 55 LYS H . 18185 1 82 . 1 1 52 52 LYS N N 15 118.0100 . . 1 . . . . 55 LYS N . 18185 1 83 . 1 1 53 53 ALA H H 1 7.5550 . . 1 . . . . 56 ALA H . 18185 1 84 . 1 1 53 53 ALA N N 15 121.5900 . . 1 . . . . 56 ALA N . 18185 1 85 . 1 1 55 55 MET H H 1 8.5890 . . 1 . . . . 58 MET H . 18185 1 86 . 1 1 55 55 MET N N 15 117.9240 . . 1 . . . . 58 MET N . 18185 1 87 . 1 1 56 56 LYS H H 1 7.3420 . . 1 . . . . 59 LYS H . 18185 1 88 . 1 1 56 56 LYS N N 15 119.9760 . . 1 . . . . 59 LYS N . 18185 1 89 . 1 1 57 57 ARG H H 1 7.1220 . . 1 . . . . 60 ARG H . 18185 1 90 . 1 1 57 57 ARG N N 15 117.5750 . . 1 . . . . 60 ARG N . 18185 1 91 . 1 1 59 59 ASN H H 1 6.7800 . . 1 . . . . 62 ASN H . 18185 1 92 . 1 1 59 59 ASN N N 15 113.2540 . . 1 . . . . 62 ASN N . 18185 1 93 . 1 1 60 60 HIS H H 1 7.2700 . . 1 . . . . 63 HIS H . 18185 1 94 . 1 1 60 60 HIS N N 15 123.7810 . . 1 . . . . 63 HIS N . 18185 1 95 . 1 1 61 61 LYS H H 1 7.6270 . . 1 . . . . 64 LYS H . 18185 1 96 . 1 1 61 61 LYS N N 15 123.8910 . . 1 . . . . 64 LYS N . 18185 1 97 . 1 1 62 62 VAL H H 1 11.3000 . . 1 . . . . 65 VAL H . 18185 1 98 . 1 1 62 62 VAL N N 15 130.4230 . . 1 . . . . 65 VAL N . 18185 1 99 . 1 1 64 64 HIS H H 1 8.0290 . . 1 . . . . 67 HIS H . 18185 1 100 . 1 1 64 64 HIS N N 15 114.1410 . . 1 . . . . 67 HIS N . 18185 1 101 . 1 1 65 65 VAL H H 1 7.1040 . . 1 . . . . 68 VAL H . 18185 1 102 . 1 1 65 65 VAL N N 15 120.2900 . . 1 . . . . 68 VAL N . 18185 1 103 . 1 1 66 66 ALA H H 1 6.7980 . . 1 . . . . 69 ALA H . 18185 1 104 . 1 1 66 66 ALA N N 15 123.2320 . . 1 . . . . 69 ALA N . 18185 1 105 . 1 1 67 67 LEU H H 1 9.0360 . . 1 . . . . 70 LEU H . 18185 1 106 . 1 1 67 67 LEU N N 15 117.7280 . . 1 . . . . 70 LEU N . 18185 1 107 . 1 1 68 68 GLN H H 1 7.1980 . . 1 . . . . 71 GLN H . 18185 1 108 . 1 1 68 68 GLN N N 15 119.8840 . . 1 . . . . 71 GLN N . 18185 1 109 . 1 1 69 69 ALA H H 1 8.3040 . . 1 . . . . 72 ALA H . 18185 1 110 . 1 1 69 69 ALA N N 15 124.7730 . . 1 . . . . 72 ALA N . 18185 1 111 . 1 1 70 70 LEU H H 1 7.9240 . . 1 . . . . 73 LEU H . 18185 1 112 . 1 1 70 70 LEU N N 15 119.3250 . . 1 . . . . 73 LEU N . 18185 1 113 . 1 1 71 71 THR H H 1 7.8280 . . 1 . . . . 74 THR H . 18185 1 114 . 1 1 71 71 THR N N 15 120.6710 . . 1 . . . . 74 THR N . 18185 1 115 . 1 1 72 72 LEU H H 1 7.5920 . . 1 . . . . 75 LEU H . 18185 1 116 . 1 1 72 72 LEU N N 15 124.4160 . . 1 . . . . 75 LEU N . 18185 1 117 . 1 1 73 73 LEU H H 1 8.7170 . . 1 . . . . 76 LEU H . 18185 1 118 . 1 1 73 73 LEU N N 15 121.5870 . . 1 . . . . 76 LEU N . 18185 1 119 . 1 1 74 74 GLY H H 1 8.5570 . . 1 . . . . 77 GLY H . 18185 1 120 . 1 1 74 74 GLY N N 15 104.4220 . . 1 . . . . 77 GLY N . 18185 1 121 . 1 1 75 75 ALA H H 1 8.0230 . . 1 . . . . 78 ALA H . 18185 1 122 . 1 1 75 75 ALA N N 15 126.2920 . . 1 . . . . 78 ALA N . 18185 1 123 . 1 1 76 76 CYS H H 1 8.4230 . . 1 . . . . 79 CYS H . 18185 1 124 . 1 1 76 76 CYS N N 15 119.2730 . . 1 . . . . 79 CYS N . 18185 1 125 . 1 1 78 78 ALA H H 1 7.6020 . . 1 . . . . 81 ALA H . 18185 1 126 . 1 1 78 78 ALA N N 15 119.8770 . . 1 . . . . 81 ALA N . 18185 1 127 . 1 1 79 79 ASN H H 1 7.9060 . . 1 . . . . 82 ASN H . 18185 1 128 . 1 1 79 79 ASN N N 15 112.4900 . . 1 . . . . 82 ASN N . 18185 1 129 . 1 1 80 80 CYS H H 1 8.1010 . . 1 . . . . 83 CYS H . 18185 1 130 . 1 1 80 80 CYS N N 15 116.3360 . . 1 . . . . 83 CYS N . 18185 1 131 . 1 1 81 81 GLY H H 1 8.0850 . . 1 . . . . 84 GLY H . 18185 1 132 . 1 1 81 81 GLY N N 15 107.9700 . . 1 . . . . 84 GLY N . 18185 1 133 . 1 1 82 82 LYS H H 1 8.4790 . . 1 . . . . 85 LYS H . 18185 1 134 . 1 1 82 82 LYS N N 15 121.4110 . . 1 . . . . 85 LYS N . 18185 1 135 . 1 1 83 83 ILE H H 1 8.3670 . . 1 . . . . 86 ILE H . 18185 1 136 . 1 1 83 83 ILE N N 15 117.4420 . . 1 . . . . 86 ILE N . 18185 1 137 . 1 1 84 84 PHE H H 1 7.1630 . . 1 . . . . 87 PHE H . 18185 1 138 . 1 1 84 84 PHE N N 15 121.0100 . . 1 . . . . 87 PHE N . 18185 1 139 . 1 1 85 85 ARG H H 1 7.5870 . . 1 . . . . 88 ARG H . 18185 1 140 . 1 1 85 85 ARG N N 15 119.6860 . . 1 . . . . 88 ARG N . 18185 1 141 . 1 1 86 86 LEU H H 1 7.8570 . . 1 . . . . 89 LEU H . 18185 1 142 . 1 1 86 86 LEU N N 15 119.3490 . . 1 . . . . 89 LEU N . 18185 1 143 . 1 1 87 87 GLY H H 1 6.8920 . . 1 . . . . 90 GLY H . 18185 1 144 . 1 1 87 87 GLY N N 15 105.1790 . . 1 . . . . 90 GLY N . 18185 1 145 . 1 1 88 88 VAL H H 1 6.3880 . . 1 . . . . 91 VAL H . 18185 1 146 . 1 1 88 88 VAL N N 15 115.4670 . . 1 . . . . 91 VAL N . 18185 1 147 . 1 1 89 89 CYS H H 1 6.7780 . . 1 . . . . 92 CYS H . 18185 1 148 . 1 1 89 89 CYS N N 15 116.5310 . . 1 . . . . 92 CYS N . 18185 1 149 . 1 1 90 90 SER H H 1 7.0420 . . 1 . . . . 93 SER H . 18185 1 150 . 1 1 90 90 SER N N 15 114.2720 . . 1 . . . . 93 SER N . 18185 1 151 . 1 1 91 91 ARG H H 1 9.0160 . . 1 . . . . 94 ARG H . 18185 1 152 . 1 1 91 91 ARG N N 15 124.7670 . . 1 . . . . 94 ARG N . 18185 1 153 . 1 1 92 92 ASP H H 1 8.3090 . . 1 . . . . 95 ASP H . 18185 1 154 . 1 1 92 92 ASP N N 15 119.4980 . . 1 . . . . 95 ASP N . 18185 1 155 . 1 1 93 93 PHE H H 1 7.7430 . . 1 . . . . 96 PHE H . 18185 1 156 . 1 1 93 93 PHE N N 15 123.2370 . . 1 . . . . 96 PHE N . 18185 1 157 . 1 1 94 94 ALA H H 1 7.6670 . . 1 . . . . 97 ALA H . 18185 1 158 . 1 1 94 94 ALA N N 15 121.7130 . . 1 . . . . 97 ALA N . 18185 1 159 . 1 1 95 95 THR H H 1 8.0570 . . 1 . . . . 98 THR H . 18185 1 160 . 1 1 95 95 THR N N 15 114.6060 . . 1 . . . . 98 THR N . 18185 1 161 . 1 1 96 96 GLU H H 1 7.5280 . . 1 . . . . 99 GLU H . 18185 1 162 . 1 1 96 96 GLU N N 15 124.1210 . . 1 . . . . 99 GLU N . 18185 1 163 . 1 1 97 97 VAL H H 1 8.2710 . . 1 . . . . 100 VAL H . 18185 1 164 . 1 1 97 97 VAL N N 15 117.8660 . . 1 . . . . 100 VAL N . 18185 1 165 . 1 1 98 98 ARG H H 1 7.5870 . . 1 . . . . 101 ARG H . 18185 1 166 . 1 1 98 98 ARG N N 15 119.6860 . . 1 . . . . 101 ARG N . 18185 1 167 . 1 1 99 99 ALA H H 1 7.3300 . . 1 . . . . 102 ALA H . 18185 1 168 . 1 1 99 99 ALA N N 15 121.3700 . . 1 . . . . 102 ALA N . 18185 1 169 . 1 1 100 100 VAL H H 1 7.6640 . . 1 . . . . 103 VAL H . 18185 1 170 . 1 1 100 100 VAL N N 15 119.4640 . . 1 . . . . 103 VAL N . 18185 1 171 . 1 1 101 101 ILE H H 1 7.3650 . . 1 . . . . 104 ILE H . 18185 1 172 . 1 1 101 101 ILE N N 15 117.9420 . . 1 . . . . 104 ILE N . 18185 1 173 . 1 1 102 102 LYS H H 1 8.3950 . . 1 . . . . 105 LYS H . 18185 1 174 . 1 1 102 102 LYS N N 15 121.0020 . . 1 . . . . 105 LYS N . 18185 1 175 . 1 1 103 103 ASN H H 1 7.8810 . . 1 . . . . 106 ASN H . 18185 1 176 . 1 1 103 103 ASN N N 15 116.9320 . . 1 . . . . 106 ASN N . 18185 1 177 . 1 1 104 104 LYS H H 1 7.5820 . . 1 . . . . 107 LYS H . 18185 1 178 . 1 1 104 104 LYS N N 15 116.3220 . . 1 . . . . 107 LYS N . 18185 1 179 . 1 1 105 105 ALA H H 1 7.4660 . . 1 . . . . 108 ALA H . 18185 1 180 . 1 1 105 105 ALA N N 15 122.0630 . . 1 . . . . 108 ALA N . 18185 1 181 . 1 1 106 106 HIS H H 1 8.5690 . . 1 . . . . 109 HIS H . 18185 1 182 . 1 1 106 106 HIS N N 15 119.4320 . . 1 . . . . 109 HIS N . 18185 1 183 . 1 1 108 108 LYS H H 1 10.0100 . . 1 . . . . 111 LYS H . 18185 1 184 . 1 1 108 108 LYS N N 15 119.2520 . . 1 . . . . 111 LYS N . 18185 1 185 . 1 1 109 109 VAL H H 1 7.3430 . . 1 . . . . 112 VAL H . 18185 1 186 . 1 1 109 109 VAL N N 15 121.9660 . . 1 . . . . 112 VAL N . 18185 1 187 . 1 1 110 110 CYS H H 1 7.6920 . . 1 . . . . 113 CYS H . 18185 1 188 . 1 1 110 110 CYS N N 15 117.3980 . . 1 . . . . 113 CYS N . 18185 1 189 . 1 1 111 111 GLU H H 1 8.2710 . . 1 . . . . 114 GLU H . 18185 1 190 . 1 1 111 111 GLU N N 15 117.8660 . . 1 . . . . 114 GLU N . 18185 1 191 . 1 1 112 112 LYS H H 1 7.4480 . . 1 . . . . 115 LYS H . 18185 1 192 . 1 1 112 112 LYS N N 15 121.4150 . . 1 . . . . 115 LYS N . 18185 1 193 . 1 1 114 114 LYS H H 1 7.9600 . . 1 . . . . 117 LYS H . 18185 1 194 . 1 1 114 114 LYS N N 15 117.3630 . . 1 . . . . 117 LYS N . 18185 1 195 . 1 1 115 115 SER H H 1 7.8890 . . 1 . . . . 118 SER H . 18185 1 196 . 1 1 115 115 SER N N 15 114.1910 . . 1 . . . . 118 SER N . 18185 1 197 . 1 1 117 117 MET H H 1 7.3200 . . 1 . . . . 120 MET H . 18185 1 198 . 1 1 117 117 MET N N 15 114.7040 . . 1 . . . . 120 MET N . 18185 1 199 . 1 1 119 119 GLU H H 1 8.0290 . . 1 . . . . 122 GLU H . 18185 1 200 . 1 1 119 119 GLU N N 15 122.9470 . . 1 . . . . 122 GLU N . 18185 1 201 . 1 1 120 120 TRP H H 1 8.8110 . . 1 . . . . 123 TRP H . 18185 1 202 . 1 1 120 120 TRP N N 15 122.0180 . . 1 . . . . 123 TRP N . 18185 1 203 . 1 1 121 121 SER H H 1 8.2630 . . 1 . . . . 124 SER H . 18185 1 204 . 1 1 121 121 SER N N 15 113.8730 . . 1 . . . . 124 SER N . 18185 1 205 . 1 1 122 122 GLU H H 1 7.3800 . . 1 . . . . 125 GLU H . 18185 1 206 . 1 1 122 122 GLU N N 15 120.0390 . . 1 . . . . 125 GLU N . 18185 1 207 . 1 1 125 125 GLN H H 1 6.9180 . . 1 . . . . 128 GLN H . 18185 1 208 . 1 1 125 125 GLN N N 15 117.6450 . . 1 . . . . 128 GLN N . 18185 1 209 . 1 1 126 126 LYS H H 1 8.1290 . . 1 . . . . 129 LYS H . 18185 1 210 . 1 1 126 126 LYS N N 15 117.2140 . . 1 . . . . 129 LYS N . 18185 1 211 . 1 1 127 127 ASP H H 1 7.7430 . . 1 . . . . 130 ASP H . 18185 1 212 . 1 1 127 127 ASP N N 15 122.0940 . . 1 . . . . 130 ASP N . 18185 1 213 . 1 1 129 129 GLN H H 1 8.4230 . . 1 . . . . 132 GLN H . 18185 1 214 . 1 1 129 129 GLN N N 15 117.8890 . . 1 . . . . 132 GLN N . 18185 1 215 . 1 1 130 130 PHE H H 1 7.7930 . . 1 . . . . 133 PHE H . 18185 1 216 . 1 1 130 130 PHE N N 15 118.7470 . . 1 . . . . 133 PHE N . 18185 1 217 . 1 1 131 131 SER H H 1 7.4510 . . 1 . . . . 134 SER H . 18185 1 218 . 1 1 131 131 SER N N 15 117.0120 . . 1 . . . . 134 SER N . 18185 1 219 . 1 1 132 132 LEU H H 1 8.1070 . . 1 . . . . 135 LEU H . 18185 1 220 . 1 1 132 132 LEU N N 15 123.7080 . . 1 . . . . 135 LEU N . 18185 1 221 . 1 1 133 133 ILE H H 1 7.3430 . . 1 . . . . 136 ILE H . 18185 1 222 . 1 1 133 133 ILE N N 15 121.9660 . . 1 . . . . 136 ILE N . 18185 1 223 . 1 1 135 135 ALA H H 1 7.9890 . . 1 . . . . 138 ALA H . 18185 1 224 . 1 1 135 135 ALA N N 15 125.0560 . . 1 . . . . 138 ALA N . 18185 1 225 . 1 1 136 136 THR H H 1 8.0890 . . 1 . . . . 139 THR H . 18185 1 226 . 1 1 136 136 THR N N 15 119.4820 . . 1 . . . . 139 THR N . 18185 1 227 . 1 1 137 137 ILE H H 1 7.8690 . . 1 . . . . 140 ILE H . 18185 1 228 . 1 1 137 137 ILE N N 15 123.2760 . . 1 . . . . 140 ILE N . 18185 1 229 . 1 1 138 138 LYS H H 1 7.5020 . . 1 . . . . 141 LYS H . 18185 1 230 . 1 1 138 138 LYS N N 15 119.2000 . . 1 . . . . 141 LYS N . 18185 1 231 . 1 1 139 139 SER H H 1 7.8620 . . 1 . . . . 142 SER H . 18185 1 232 . 1 1 139 139 SER N N 15 114.2810 . . 1 . . . . 142 SER N . 18185 1 233 . 1 1 141 141 LYS H H 1 8.7140 . . 1 . . . . 144 LYS H . 18185 1 234 . 1 1 141 141 LYS N N 15 122.8390 . . 1 . . . . 144 LYS N . 18185 1 235 . 1 1 142 142 GLU H H 1 7.7510 . . 1 . . . . 145 GLU H . 18185 1 236 . 1 1 142 142 GLU N N 15 121.3640 . . 1 . . . . 145 GLU N . 18185 1 237 . 1 1 143 143 GLU H H 1 7.3190 . . 1 . . . . 146 GLU H . 18185 1 238 . 1 1 143 143 GLU N N 15 117.7180 . . 1 . . . . 146 GLU N . 18185 1 239 . 1 1 144 144 GLY H H 1 7.7260 . . 1 . . . . 147 GLY H . 18185 1 240 . 1 1 144 144 GLY N N 15 107.9540 . . 1 . . . . 147 GLY N . 18185 1 241 . 1 1 145 145 ILE H H 1 7.6650 . . 1 . . . . 148 ILE H . 18185 1 242 . 1 1 145 145 ILE N N 15 124.0110 . . 1 . . . . 148 ILE N . 18185 1 243 . 1 1 146 146 THR H H 1 8.1200 . . 1 . . . . 149 THR H . 18185 1 244 . 1 1 146 146 THR N N 15 120.7970 . . 1 . . . . 149 THR N . 18185 1 245 . 1 1 147 147 PHE H H 1 8.8220 . . 1 . . . . 150 PHE H . 18185 1 246 . 1 1 147 147 PHE N N 15 123.1780 . . 1 . . . . 150 PHE N . 18185 1 247 . 1 1 150 150 ALA H H 1 8.2670 . . 1 . . . . 153 ALA H . 18185 1 248 . 1 1 150 150 ALA N N 15 124.8270 . . 1 . . . . 153 ALA N . 18185 1 249 . 1 1 151 151 GLY H H 1 8.8610 . . 1 . . . . 154 GLY H . 18185 1 250 . 1 1 151 151 GLY N N 15 110.9960 . . 1 . . . . 154 GLY N . 18185 1 251 . 1 1 152 152 SER H H 1 8.0630 . . 1 . . . . 155 SER H . 18185 1 252 . 1 1 152 152 SER N N 15 116.0090 . . 1 . . . . 155 SER N . 18185 1 253 . 1 1 153 153 GLN H H 1 8.3370 . . 1 . . . . 156 GLN H . 18185 1 254 . 1 1 153 153 GLN N N 15 122.6970 . . 1 . . . . 156 GLN N . 18185 1 255 . 1 1 154 154 THR H H 1 8.0440 . . 1 . . . . 157 THR H . 18185 1 256 . 1 1 154 154 THR N N 15 117.0560 . . 1 . . . . 157 THR N . 18185 1 257 . 1 1 155 155 VAL H H 1 8.0820 . . 1 . . . . 158 VAL H . 18185 1 258 . 1 1 155 155 VAL N N 15 123.9160 . . 1 . . . . 158 VAL N . 18185 1 259 . 1 1 156 156 SER H H 1 8.2430 . . 1 . . . . 159 SER H . 18185 1 260 . 1 1 156 156 SER N N 15 120.5100 . . 1 . . . . 159 SER N . 18185 1 261 . 1 1 157 157 ALA H H 1 8.2050 . . 1 . . . . 160 ALA H . 18185 1 262 . 1 1 157 157 ALA N N 15 127.1790 . . 1 . . . . 160 ALA N . 18185 1 263 . 1 1 158 158 ALA H H 1 7.9420 . . 1 . . . . 161 ALA H . 18185 1 264 . 1 1 158 158 ALA N N 15 123.0970 . . 1 . . . . 161 ALA N . 18185 1 265 . 1 1 159 159 ALA H H 1 7.8950 . . 1 . . . . 162 ALA H . 18185 1 266 . 1 1 159 159 ALA N N 15 123.4730 . . 1 . . . . 162 ALA N . 18185 1 267 . 1 1 160 160 LYS H H 1 8.0110 . . 1 . . . . 163 LYS H . 18185 1 268 . 1 1 160 160 LYS N N 15 121.0260 . . 1 . . . . 163 LYS N . 18185 1 269 . 1 1 161 161 ASN H H 1 8.1830 . . 1 . . . . 164 ASN H . 18185 1 270 . 1 1 161 161 ASN N N 15 119.8380 . . 1 . . . . 164 ASN N . 18185 1 271 . 1 1 162 162 GLY H H 1 8.1560 . . 1 . . . . 165 GLY H . 18185 1 272 . 1 1 162 162 GLY N N 15 109.9650 . . 1 . . . . 165 GLY N . 18185 1 273 . 1 1 163 163 THR H H 1 7.9550 . . 1 . . . . 166 THR H . 18185 1 274 . 1 1 163 163 THR N N 15 114.1120 . . 1 . . . . 166 THR N . 18185 1 275 . 1 1 164 164 SER H H 1 8.2520 . . 1 . . . . 167 SER H . 18185 1 276 . 1 1 164 164 SER N N 15 118.7760 . . 1 . . . . 167 SER N . 18185 1 277 . 1 1 165 165 SER H H 1 8.2520 . . 1 . . . . 168 SER H . 18185 1 278 . 1 1 165 165 SER N N 15 118.7760 . . 1 . . . . 168 SER N . 18185 1 279 . 1 1 166 166 ASN H H 1 8.2780 . . 1 . . . . 169 ASN H . 18185 1 280 . 1 1 166 166 ASN N N 15 121.6440 . . 1 . . . . 169 ASN N . 18185 1 281 . 1 1 167 167 LYS H H 1 8.1440 . . 1 . . . . 170 LYS H . 18185 1 282 . 1 1 167 167 LYS N N 15 122.9370 . . 1 . . . . 170 LYS N . 18185 1 283 . 1 1 168 168 ASN H H 1 8.3590 . . 1 . . . . 171 ASN H . 18185 1 284 . 1 1 168 168 ASN N N 15 120.4820 . . 1 . . . . 171 ASN N . 18185 1 285 . 1 1 169 169 LYS H H 1 8.1440 . . 1 . . . . 172 LYS H . 18185 1 286 . 1 1 169 169 LYS N N 15 122.9370 . . 1 . . . . 172 LYS N . 18185 1 287 . 1 1 170 170 GLU H H 1 8.3240 . . 1 . . . . 173 GLU H . 18185 1 288 . 1 1 170 170 GLU N N 15 121.5300 . . 1 . . . . 173 GLU N . 18185 1 289 . 1 1 171 171 ASP H H 1 8.1200 . . 1 . . . . 174 ASP H . 18185 1 290 . 1 1 171 171 ASP N N 15 120.7970 . . 1 . . . . 174 ASP N . 18185 1 291 . 1 1 172 172 GLU H H 1 8.0710 . . 1 . . . . 175 GLU H . 18185 1 292 . 1 1 172 172 GLU N N 15 122.4470 . . 1 . . . . 175 GLU N . 18185 1 293 . 1 1 173 173 ASP H H 1 8.2430 . . 1 . . . . 176 ASP H . 18185 1 294 . 1 1 173 173 ASP N N 15 122.0590 . . 1 . . . . 176 ASP N . 18185 1 295 . 1 1 174 174 ILE H H 1 7.8690 . . 1 . . . . 177 ILE H . 18185 1 296 . 1 1 174 174 ILE N N 15 123.2760 . . 1 . . . . 177 ILE N . 18185 1 297 . 1 1 175 175 ALA H H 1 7.9070 . . 1 . . . . 178 ALA H . 18185 1 298 . 1 1 175 175 ALA N N 15 125.0300 . . 1 . . . . 178 ALA N . 18185 1 299 . 1 1 176 176 LYS H H 1 7.9420 . . 1 . . . . 179 LYS H . 18185 1 300 . 1 1 176 176 LYS N N 15 120.3230 . . 1 . . . . 179 LYS N . 18185 1 301 . 1 1 177 177 ALA H H 1 7.7880 . . 1 . . . . 180 ALA H . 18185 1 302 . 1 1 177 177 ALA N N 15 124.2700 . . 1 . . . . 180 ALA N . 18185 1 303 . 1 1 178 178 ILE H H 1 7.9270 . . 1 . . . . 181 ILE H . 18185 1 304 . 1 1 178 178 ILE N N 15 121.2850 . . 1 . . . . 181 ILE N . 18185 1 305 . 1 1 179 179 GLU H H 1 7.9850 . . 1 . . . . 182 GLU H . 18185 1 306 . 1 1 179 179 GLU N N 15 123.6580 . . 1 . . . . 182 GLU N . 18185 1 307 . 1 1 180 180 LEU H H 1 8.0710 . . 1 . . . . 183 LEU H . 18185 1 308 . 1 1 180 180 LEU N N 15 122.2930 . . 1 . . . . 183 LEU N . 18185 1 309 . 1 1 181 181 SER H H 1 7.9910 . . 1 . . . . 184 SER H . 18185 1 310 . 1 1 181 181 SER N N 15 116.8080 . . 1 . . . . 184 SER N . 18185 1 311 . 1 1 182 182 LEU H H 1 7.8950 . . 1 . . . . 185 LEU H . 18185 1 312 . 1 1 182 182 LEU N N 15 123.4730 . . 1 . . . . 185 LEU N . 18185 1 313 . 1 1 183 183 GLN H H 1 7.8720 . . 1 . . . . 186 GLN H . 18185 1 314 . 1 1 183 183 GLN N N 15 120.0100 . . 1 . . . . 186 GLN N . 18185 1 315 . 1 1 184 184 GLU H H 1 8.0310 . . 1 . . . . 187 GLU H . 18185 1 316 . 1 1 184 184 GLU N N 15 121.4080 . . 1 . . . . 187 GLU N . 18185 1 317 . 1 1 185 185 GLN H H 1 8.0570 . . 1 . . . . 188 GLN H . 18185 1 318 . 1 1 185 185 GLN N N 15 121.1160 . . 1 . . . . 188 GLN N . 18185 1 319 . 1 1 186 186 LYS H H 1 7.9810 . . 1 . . . . 189 LYS H . 18185 1 320 . 1 1 186 186 LYS N N 15 122.0230 . . 1 . . . . 189 LYS N . 18185 1 321 . 1 1 187 187 GLN H H 1 8.1360 . . 1 . . . . 190 GLN H . 18185 1 322 . 1 1 187 187 GLN N N 15 121.7240 . . 1 . . . . 190 GLN N . 18185 1 323 . 1 1 188 188 GLN H H 1 8.1360 . . 1 . . . . 191 GLN H . 18185 1 324 . 1 1 188 188 GLN N N 15 121.7240 . . 1 . . . . 191 GLN N . 18185 1 325 . 1 1 190 190 THR H H 1 8.0400 . . 1 . . . . 193 THR H . 18185 1 326 . 1 1 190 190 THR N N 15 117.2820 . . 1 . . . . 193 THR N . 18185 1 327 . 1 1 191 191 GLU H H 1 8.4390 . . 1 . . . . 194 GLU H . 18185 1 328 . 1 1 191 191 GLU N N 15 124.8370 . . 1 . . . . 194 GLU N . 18185 1 329 . 1 1 192 192 THR H H 1 7.7080 . . 1 . . . . 195 THR H . 18185 1 330 . 1 1 192 192 THR N N 15 121.1470 . . 1 . . . . 195 THR N . 18185 1 stop_ save_