################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52010 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'y109A mutant assignments' _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 $chem_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 1H-15N NOESY' . . . 52010 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52010 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 7 7 THR H H 1 7.8170 0.0000 . 1 . . . . . 49 THR H . 52010 1 2 . 1 . 1 7 7 THR N N 15 110.6700 0.0000 . 1 . . . . . 49 THR N . 52010 1 3 . 1 . 1 9 9 SER H H 1 8.3140 0.0000 . 1 . . . . . 51 SER H . 52010 1 4 . 1 . 1 9 9 SER N N 15 113.8310 0.0000 . 1 . . . . . 51 SER N . 52010 1 5 . 1 . 1 10 10 TRP H H 1 10.1320 0.0000 . 1 . . . . . 52 TRP H . 52010 1 6 . 1 . 1 10 10 TRP N N 15 128.1740 0.0000 . 1 . . . . . 52 TRP N . 52010 1 7 . 1 . 1 11 11 PHE H H 1 8.1330 0.0000 . 1 . . . . . 53 PHE H . 52010 1 8 . 1 . 1 11 11 PHE N N 15 113.9620 0.0000 . 1 . . . . . 53 PHE N . 52010 1 9 . 1 . 1 14 14 LEU H H 1 8.6120 0.0000 . 1 . . . . . 56 LEU H . 52010 1 10 . 1 . 1 14 14 LEU N N 15 117.9650 0.0000 . 1 . . . . . 56 LEU N . 52010 1 11 . 1 . 1 17 17 HIS H H 1 8.4650 0.0000 . 1 . . . . . 59 HIS H . 52010 1 12 . 1 . 1 17 17 HIS N N 15 124.6880 0.0000 . 1 . . . . . 59 HIS N . 52010 1 13 . 1 . 1 18 18 GLY H H 1 7.7220 0.0000 . 1 . . . . . 60 GLY H . 52010 1 14 . 1 . 1 18 18 GLY N N 15 108.1490 0.0000 . 1 . . . . . 60 GLY N . 52010 1 15 . 1 . 1 19 19 LYS H H 1 8.4850 0.0000 . 1 . . . . . 61 LYS H . 52010 1 16 . 1 . 1 19 19 LYS N N 15 117.5080 0.0000 . 1 . . . . . 61 LYS N . 52010 1 17 . 1 . 1 20 20 GLU H H 1 7.9620 0.0000 . 1 . . . . . 62 GLU H . 52010 1 18 . 1 . 1 20 20 GLU N N 15 120.3820 0.0000 . 1 . . . . . 62 GLU N . 52010 1 19 . 1 . 1 21 21 ASP H H 1 8.3080 0.0000 . 1 . . . . . 63 ASP H . 52010 1 20 . 1 . 1 21 21 ASP N N 15 119.7010 0.0000 . 1 . . . . . 63 ASP N . 52010 1 21 . 1 . 1 22 22 LEU H H 1 5.3360 0.0000 . 1 . . . . . 64 LEU H . 52010 1 22 . 1 . 1 22 22 LEU N N 15 121.4260 0.0000 . 1 . . . . . 64 LEU N . 52010 1 23 . 1 . 1 23 23 LYS H H 1 5.8680 0.0000 . 1 . . . . . 65 LYS H . 52010 1 24 . 1 . 1 23 23 LYS N N 15 120.2530 0.0000 . 1 . . . . . 65 LYS N . 52010 1 25 . 1 . 1 24 24 PHE H H 1 8.1000 0.0000 . 1 . . . . . 66 PHE H . 52010 1 26 . 1 . 1 24 24 PHE N N 15 119.1560 0.0000 . 1 . . . . . 66 PHE N . 52010 1 27 . 1 . 1 26 26 ARG H H 1 8.4100 0.0000 . 1 . . . . . 68 ARG H . 52010 1 28 . 1 . 1 26 26 ARG N N 15 121.6410 0.0000 . 1 . . . . . 68 ARG N . 52010 1 29 . 1 . 1 27 27 GLY H H 1 8.9410 0.0000 . 1 . . . . . 69 GLY H . 52010 1 30 . 1 . 1 27 27 GLY N N 15 115.7440 0.0000 . 1 . . . . . 69 GLY N . 52010 1 31 . 1 . 1 28 28 GLN H H 1 8.1460 0.0000 . 1 . . . . . 70 GLN H . 52010 1 32 . 1 . 1 28 28 GLN N N 15 119.5380 0.0000 . 1 . . . . . 70 GLN N . 52010 1 33 . 1 . 1 29 29 GLY H H 1 8.3990 0.0000 . 1 . . . . . 71 GLY H . 52010 1 34 . 1 . 1 29 29 GLY N N 15 102.7460 0.0000 . 1 . . . . . 71 GLY N . 52010 1 35 . 1 . 1 30 30 VAL H H 1 7.3780 0.0000 . 1 . . . . . 72 VAL H . 52010 1 36 . 1 . 1 30 30 VAL N N 15 122.8690 0.0000 . 1 . . . . . 72 VAL N . 52010 1 37 . 1 . 1 32 32 ILE H H 1 7.9100 0.0000 . 1 . . . . . 74 ILE H . 52010 1 38 . 1 . 1 32 32 ILE N N 15 118.9050 0.0000 . 1 . . . . . 74 ILE N . 52010 1 39 . 1 . 1 33 33 ASN H H 1 8.8510 0.0000 . 1 . . . . . 75 ASN H . 52010 1 40 . 1 . 1 33 33 ASN N N 15 124.4620 0.0000 . 1 . . . . . 75 ASN N . 52010 1 41 . 1 . 1 34 34 THR H H 1 9.1910 0.0000 . 1 . . . . . 76 THR H . 52010 1 42 . 1 . 1 34 34 THR N N 15 120.1620 0.0000 . 1 . . . . . 76 THR N . 52010 1 43 . 1 . 1 35 35 ASN H H 1 7.7060 0.0000 . 1 . . . . . 77 ASN H . 52010 1 44 . 1 . 1 35 35 ASN N N 15 119.3310 0.0000 . 1 . . . . . 77 ASN N . 52010 1 45 . 1 . 1 36 36 SER H H 1 7.5890 0.0000 . 1 . . . . . 78 SER H . 52010 1 46 . 1 . 1 36 36 SER N N 15 113.3110 0.0000 . 1 . . . . . 78 SER N . 52010 1 47 . 1 . 1 37 37 SER H H 1 9.5420 0.0000 . 1 . . . . . 79 SER H . 52010 1 48 . 1 . 1 37 37 SER N N 15 119.3000 0.0000 . 1 . . . . . 79 SER N . 52010 1 49 . 1 . 1 39 39 ASP H H 1 8.0570 0.0000 . 1 . . . . . 81 ASP H . 52010 1 50 . 1 . 1 39 39 ASP N N 15 115.3350 0.0000 . 1 . . . . . 81 ASP N . 52010 1 51 . 1 . 1 40 40 ASP H H 1 7.9990 0.0000 . 1 . . . . . 82 ASP H . 52010 1 52 . 1 . 1 40 40 ASP N N 15 114.7830 0.0000 . 1 . . . . . 82 ASP N . 52010 1 53 . 1 . 1 41 41 GLN H H 1 6.7710 0.0000 . 1 . . . . . 83 GLN H . 52010 1 54 . 1 . 1 41 41 GLN N N 15 113.9610 0.0000 . 1 . . . . . 83 GLN N . 52010 1 55 . 1 . 1 42 42 ILE H H 1 9.1540 0.0000 . 1 . . . . . 84 ILE H . 52010 1 56 . 1 . 1 42 42 ILE N N 15 122.9900 0.0000 . 1 . . . . . 84 ILE N . 52010 1 57 . 1 . 1 43 43 GLY H H 1 9.6360 0.0000 . 1 . . . . . 85 GLY H . 52010 1 58 . 1 . 1 43 43 GLY N N 15 113.3180 0.0000 . 1 . . . . . 85 GLY N . 52010 1 59 . 1 . 1 44 44 TYR H H 1 8.4390 0.0000 . 1 . . . . . 86 TYR H . 52010 1 60 . 1 . 1 44 44 TYR N N 15 117.0530 0.0000 . 1 . . . . . 86 TYR N . 52010 1 61 . 1 . 1 45 45 TYR H H 1 9.1270 0.0000 . 1 . . . . . 87 TYR H . 52010 1 62 . 1 . 1 45 45 TYR N N 15 115.5600 0.0000 . 1 . . . . . 87 TYR N . 52010 1 63 . 1 . 1 46 46 ARG H H 1 9.7160 0.0000 . 1 . . . . . 88 ARG H . 52010 1 64 . 1 . 1 46 46 ARG N N 15 122.5720 0.0000 . 1 . . . . . 88 ARG N . 52010 1 65 . 1 . 1 47 47 ARG H H 1 8.8010 0.0000 . 1 . . . . . 89 ARG H . 52010 1 66 . 1 . 1 47 47 ARG N N 15 132.2870 0.0000 . 1 . . . . . 89 ARG N . 52010 1 67 . 1 . 1 49 49 THR H H 1 8.3880 0.0000 . 1 . . . . . 91 THR H . 52010 1 68 . 1 . 1 49 49 THR N N 15 116.3180 0.0000 . 1 . . . . . 91 THR N . 52010 1 69 . 1 . 1 50 50 ARG H H 1 8.7600 0.0000 . 1 . . . . . 92 ARG H . 52010 1 70 . 1 . 1 50 50 ARG N N 15 124.6270 0.0000 . 1 . . . . . 92 ARG N . 52010 1 71 . 1 . 1 51 51 ARG H H 1 8.3780 0.0000 . 1 . . . . . 93 ARG H . 52010 1 72 . 1 . 1 51 51 ARG N N 15 123.1430 0.0000 . 1 . . . . . 93 ARG N . 52010 1 73 . 1 . 1 52 52 ILE H H 1 8.6770 0.0000 . 1 . . . . . 94 ILE H . 52010 1 74 . 1 . 1 52 52 ILE N N 15 120.3770 0.0000 . 1 . . . . . 94 ILE N . 52010 1 75 . 1 . 1 53 53 ARG H H 1 8.5070 0.0000 . 1 . . . . . 95 ARG H . 52010 1 76 . 1 . 1 53 53 ARG N N 15 125.1030 0.0000 . 1 . . . . . 95 ARG N . 52010 1 77 . 1 . 1 54 54 GLY H H 1 8.6940 0.0000 . 1 . . . . . 96 GLY H . 52010 1 78 . 1 . 1 54 54 GLY N N 15 113.4500 0.0000 . 1 . . . . . 96 GLY N . 52010 1 79 . 1 . 1 56 56 ASP H H 1 8.0860 0.0000 . 1 . . . . . 98 ASP H . 52010 1 80 . 1 . 1 56 56 ASP N N 15 118.0260 0.0000 . 1 . . . . . 98 ASP N . 52010 1 81 . 1 . 1 57 57 GLY H H 1 8.1380 0.0000 . 1 . . . . . 99 GLY H . 52010 1 82 . 1 . 1 57 57 GLY N N 15 107.9930 0.0000 . 1 . . . . . 99 GLY N . 52010 1 83 . 1 . 1 58 58 LYS H H 1 7.8730 0.0000 . 1 . . . . . 100 LYS H . 52010 1 84 . 1 . 1 58 58 LYS N N 15 120.8060 0.0000 . 1 . . . . . 100 LYS N . 52010 1 85 . 1 . 1 59 59 MET H H 1 8.6450 0.0000 . 1 . . . . . 101 MET H . 52010 1 86 . 1 . 1 59 59 MET N N 15 121.6420 0.0000 . 1 . . . . . 101 MET N . 52010 1 87 . 1 . 1 60 60 LYS H H 1 9.0070 0.0000 . 1 . . . . . 102 LYS H . 52010 1 88 . 1 . 1 60 60 LYS N N 15 123.3600 0.0000 . 1 . . . . . 102 LYS N . 52010 1 89 . 1 . 1 61 61 ASP H H 1 8.4150 0.0000 . 1 . . . . . 103 ASP H . 52010 1 90 . 1 . 1 61 61 ASP N N 15 122.3100 0.0000 . 1 . . . . . 103 ASP N . 52010 1 91 . 1 . 1 62 62 LEU H H 1 8.3620 0.0000 . 1 . . . . . 104 LEU H . 52010 1 92 . 1 . 1 62 62 LEU N N 15 123.2480 0.0000 . 1 . . . . . 104 LEU N . 52010 1 93 . 1 . 1 63 63 SER H H 1 8.2770 0.0000 . 1 . . . . . 105 SER H . 52010 1 94 . 1 . 1 63 63 SER N N 15 117.8030 0.0000 . 1 . . . . . 105 SER N . 52010 1 95 . 1 . 1 65 65 ARG H H 1 8.2110 0.0000 . 1 . . . . . 107 ARG H . 52010 1 96 . 1 . 1 65 65 ARG N N 15 119.8570 0.0000 . 1 . . . . . 107 ARG N . 52010 1 97 . 1 . 1 66 66 TRP H H 1 9.0980 0.0000 . 1 . . . . . 108 TRP H . 52010 1 98 . 1 . 1 66 66 TRP N N 15 120.8010 0.0000 . 1 . . . . . 108 TRP N . 52010 1 99 . 1 . 1 67 67 ALA H H 1 8.4254 0.0000 . 1 . . . . . 109 ALA H . 52010 1 100 . 1 . 1 67 67 ALA N N 15 124.7915 0.0000 . 1 . . . . . 109 ALA N . 52010 1 101 . 1 . 1 68 68 PHE H H 1 9.5320 0.0000 . 1 . . . . . 110 PHE H . 52010 1 102 . 1 . 1 68 68 PHE N N 15 121.6510 0.0000 . 1 . . . . . 110 PHE N . 52010 1 103 . 1 . 1 69 69 TYR H H 1 8.2440 0.0000 . 1 . . . . . 111 TYR H . 52010 1 104 . 1 . 1 69 69 TYR N N 15 128.3090 0.0000 . 1 . . . . . 111 TYR N . 52010 1 105 . 1 . 1 70 70 TYR H H 1 6.8370 0.0000 . 1 . . . . . 112 TYR H . 52010 1 106 . 1 . 1 70 70 TYR N N 15 116.4230 0.0000 . 1 . . . . . 112 TYR N . 52010 1 107 . 1 . 1 71 71 LEU H H 1 9.0490 0.0000 . 1 . . . . . 113 LEU H . 52010 1 108 . 1 . 1 71 71 LEU N N 15 124.8960 0.0000 . 1 . . . . . 113 LEU N . 52010 1 109 . 1 . 1 72 72 GLY H H 1 9.9390 0.0000 . 1 . . . . . 114 GLY H . 52010 1 110 . 1 . 1 72 72 GLY N N 15 114.4920 0.0000 . 1 . . . . . 114 GLY N . 52010 1 111 . 1 . 1 73 73 THR H H 1 8.1530 0.0000 . 1 . . . . . 115 THR H . 52010 1 112 . 1 . 1 73 73 THR N N 15 108.8270 0.0000 . 1 . . . . . 115 THR N . 52010 1 113 . 1 . 1 74 74 GLY H H 1 9.1720 0.0000 . 1 . . . . . 116 GLY H . 52010 1 114 . 1 . 1 74 74 GLY N N 15 107.1050 0.0000 . 1 . . . . . 116 GLY N . 52010 1 115 . 1 . 1 76 76 GLU H H 1 7.6280 0.0000 . 1 . . . . . 118 GLU H . 52010 1 116 . 1 . 1 76 76 GLU N N 15 114.7650 0.0000 . 1 . . . . . 118 GLU N . 52010 1 117 . 1 . 1 77 77 ALA H H 1 6.9880 0.0000 . 1 . . . . . 119 ALA H . 52010 1 118 . 1 . 1 77 77 ALA N N 15 123.1240 0.0000 . 1 . . . . . 119 ALA N . 52010 1 119 . 1 . 1 78 78 GLY H H 1 8.2400 0.0000 . 1 . . . . . 120 GLY H . 52010 1 120 . 1 . 1 78 78 GLY N N 15 100.9880 0.0000 . 1 . . . . . 120 GLY N . 52010 1 121 . 1 . 1 79 79 LEU H H 1 7.5290 0.0000 . 1 . . . . . 121 LEU H . 52010 1 122 . 1 . 1 79 79 LEU N N 15 122.8740 0.0000 . 1 . . . . . 121 LEU N . 52010 1 123 . 1 . 1 81 81 TYR H H 1 8.5310 0.0000 . 1 . . . . . 123 TYR H . 52010 1 124 . 1 . 1 81 81 TYR N N 15 119.0270 0.0000 . 1 . . . . . 123 TYR N . 52010 1 125 . 1 . 1 83 83 ALA H H 1 7.3390 0.0000 . 1 . . . . . 125 ALA H . 52010 1 126 . 1 . 1 83 83 ALA N N 15 123.6640 0.0000 . 1 . . . . . 125 ALA N . 52010 1 127 . 1 . 1 84 84 ASN H H 1 8.7940 0.0000 . 1 . . . . . 126 ASN H . 52010 1 128 . 1 . 1 84 84 ASN N N 15 121.8780 0.0000 . 1 . . . . . 126 ASN N . 52010 1 129 . 1 . 1 85 85 LYS H H 1 8.7380 0.0000 . 1 . . . . . 127 LYS H . 52010 1 130 . 1 . 1 85 85 LYS N N 15 128.3100 0.0000 . 1 . . . . . 127 LYS N . 52010 1 131 . 1 . 1 86 86 ASP H H 1 8.5560 0.0000 . 1 . . . . . 128 ASP H . 52010 1 132 . 1 . 1 86 86 ASP N N 15 126.2750 0.0000 . 1 . . . . . 128 ASP N . 52010 1 133 . 1 . 1 87 87 GLY H H 1 9.1590 0.0000 . 1 . . . . . 129 GLY H . 52010 1 134 . 1 . 1 87 87 GLY N N 15 113.5210 0.0000 . 1 . . . . . 129 GLY N . 52010 1 135 . 1 . 1 88 88 ILE H H 1 7.7820 0.0000 . 1 . . . . . 130 ILE H . 52010 1 136 . 1 . 1 88 88 ILE N N 15 118.6410 0.0000 . 1 . . . . . 130 ILE N . 52010 1 137 . 1 . 1 89 89 ILE H H 1 8.8510 0.0000 . 1 . . . . . 131 ILE H . 52010 1 138 . 1 . 1 89 89 ILE N N 15 123.7150 0.0000 . 1 . . . . . 131 ILE N . 52010 1 139 . 1 . 1 90 90 TRP H H 1 8.6410 0.0000 . 1 . . . . . 132 TRP H . 52010 1 140 . 1 . 1 90 90 TRP N N 15 125.0440 0.0000 . 1 . . . . . 132 TRP N . 52010 1 141 . 1 . 1 91 91 VAL H H 1 9.4880 0.0000 . 1 . . . . . 133 VAL H . 52010 1 142 . 1 . 1 91 91 VAL N N 15 116.1580 0.0000 . 1 . . . . . 133 VAL N . 52010 1 143 . 1 . 1 92 92 ALA H H 1 8.5870 0.0000 . 1 . . . . . 134 ALA H . 52010 1 144 . 1 . 1 92 92 ALA N N 15 120.0260 0.0000 . 1 . . . . . 134 ALA N . 52010 1 145 . 1 . 1 93 93 THR H H 1 8.2340 0.0000 . 1 . . . . . 135 THR H . 52010 1 146 . 1 . 1 93 93 THR N N 15 117.0300 0.0000 . 1 . . . . . 135 THR N . 52010 1 147 . 1 . 1 94 94 GLU H H 1 8.9990 0.0000 . 1 . . . . . 136 GLU H . 52010 1 148 . 1 . 1 94 94 GLU N N 15 126.0060 0.0000 . 1 . . . . . 136 GLU N . 52010 1 149 . 1 . 1 95 95 GLY H H 1 8.5810 0.0000 . 1 . . . . . 137 GLY H . 52010 1 150 . 1 . 1 95 95 GLY N N 15 112.5820 0.0000 . 1 . . . . . 137 GLY N . 52010 1 151 . 1 . 1 96 96 ALA H H 1 7.4440 0.0000 . 1 . . . . . 138 ALA H . 52010 1 152 . 1 . 1 96 96 ALA N N 15 122.8740 0.0000 . 1 . . . . . 138 ALA N . 52010 1 153 . 1 . 1 97 97 LEU H H 1 8.6310 0.0000 . 1 . . . . . 139 LEU H . 52010 1 154 . 1 . 1 97 97 LEU N N 15 120.7890 0.0000 . 1 . . . . . 139 LEU N . 52010 1 155 . 1 . 1 98 98 ASN H H 1 8.9940 0.0000 . 1 . . . . . 140 ASN H . 52010 1 156 . 1 . 1 98 98 ASN N N 15 124.7700 0.0000 . 1 . . . . . 140 ASN N . 52010 1 157 . 1 . 1 99 99 THR H H 1 7.6890 0.0000 . 1 . . . . . 141 THR H . 52010 1 158 . 1 . 1 99 99 THR N N 15 114.7860 0.0000 . 1 . . . . . 141 THR N . 52010 1 159 . 1 . 1 101 101 LYS H H 1 8.8600 0.0000 . 1 . . . . . 143 LYS H . 52010 1 160 . 1 . 1 101 101 LYS N N 15 119.8220 0.0000 . 1 . . . . . 143 LYS N . 52010 1 161 . 1 . 1 102 102 ASP H H 1 8.1500 0.0000 . 1 . . . . . 144 ASP H . 52010 1 162 . 1 . 1 102 102 ASP N N 15 121.6020 0.0000 . 1 . . . . . 144 ASP N . 52010 1 163 . 1 . 1 103 103 HIS H H 1 8.7110 0.0000 . 1 . . . . . 145 HIS H . 52010 1 164 . 1 . 1 103 103 HIS N N 15 114.2720 0.0000 . 1 . . . . . 145 HIS N . 52010 1 165 . 1 . 1 104 104 ILE H H 1 6.6730 0.0000 . 1 . . . . . 146 ILE H . 52010 1 166 . 1 . 1 104 104 ILE N N 15 122.2050 0.0000 . 1 . . . . . 146 ILE N . 52010 1 167 . 1 . 1 105 105 GLY H H 1 7.7630 0.0000 . 1 . . . . . 147 GLY H . 52010 1 168 . 1 . 1 105 105 GLY N N 15 104.7810 0.0000 . 1 . . . . . 147 GLY N . 52010 1 169 . 1 . 1 106 106 THR H H 1 8.3510 0.0000 . 1 . . . . . 148 THR H . 52010 1 170 . 1 . 1 106 106 THR N N 15 111.3580 0.0000 . 1 . . . . . 148 THR N . 52010 1 171 . 1 . 1 107 107 ARG H H 1 7.6450 0.0000 . 1 . . . . . 149 ARG H . 52010 1 172 . 1 . 1 107 107 ARG N N 15 120.4950 0.0000 . 1 . . . . . 149 ARG N . 52010 1 173 . 1 . 1 108 108 ASN H H 1 8.8340 0.0000 . 1 . . . . . 150 ASN H . 52010 1 174 . 1 . 1 108 108 ASN N N 15 124.8970 0.0000 . 1 . . . . . 150 ASN N . 52010 1 175 . 1 . 1 110 110 ALA H H 1 7.7840 0.0000 . 1 . . . . . 152 ALA H . 52010 1 176 . 1 . 1 110 110 ALA N N 15 118.1940 0.0000 . 1 . . . . . 152 ALA N . 52010 1 177 . 1 . 1 111 111 ASN H H 1 7.6390 0.0000 . 1 . . . . . 153 ASN H . 52010 1 178 . 1 . 1 111 111 ASN N N 15 113.0250 0.0000 . 1 . . . . . 153 ASN N . 52010 1 179 . 1 . 1 112 112 ASN H H 1 7.7550 0.0000 . 1 . . . . . 154 ASN H . 52010 1 180 . 1 . 1 112 112 ASN N N 15 116.4810 0.0000 . 1 . . . . . 154 ASN N . 52010 1 181 . 1 . 1 113 113 ALA H H 1 8.5730 0.0000 . 1 . . . . . 155 ALA H . 52010 1 182 . 1 . 1 113 113 ALA N N 15 127.3600 0.0000 . 1 . . . . . 155 ALA N . 52010 1 183 . 1 . 1 114 114 ALA H H 1 8.3680 0.0000 . 1 . . . . . 156 ALA H . 52010 1 184 . 1 . 1 114 114 ALA N N 15 122.4420 0.0000 . 1 . . . . . 156 ALA N . 52010 1 185 . 1 . 1 115 115 ILE H H 1 9.4880 0.0000 . 1 . . . . . 157 ILE H . 52010 1 186 . 1 . 1 115 115 ILE N N 15 126.5040 0.0000 . 1 . . . . . 157 ILE N . 52010 1 187 . 1 . 1 116 116 VAL H H 1 8.5940 0.0000 . 1 . . . . . 158 VAL H . 52010 1 188 . 1 . 1 116 116 VAL N N 15 128.8600 0.0000 . 1 . . . . . 158 VAL N . 52010 1 189 . 1 . 1 117 117 LEU H H 1 8.3660 0.0000 . 1 . . . . . 159 LEU H . 52010 1 190 . 1 . 1 117 117 LEU N N 15 133.2340 0.0000 . 1 . . . . . 159 LEU N . 52010 1 191 . 1 . 1 118 118 GLN H H 1 9.3090 0.0000 . 1 . . . . . 160 GLN H . 52010 1 192 . 1 . 1 118 118 GLN N N 15 129.9590 0.0000 . 1 . . . . . 160 GLN N . 52010 1 193 . 1 . 1 119 119 LEU H H 1 8.5460 0.0000 . 1 . . . . . 161 LEU H . 52010 1 194 . 1 . 1 119 119 LEU N N 15 123.5010 0.0000 . 1 . . . . . 161 LEU N . 52010 1 195 . 1 . 1 121 121 GLN H H 1 8.6330 0.0000 . 1 . . . . . 163 GLN H . 52010 1 196 . 1 . 1 121 121 GLN N N 15 122.2670 0.0000 . 1 . . . . . 163 GLN N . 52010 1 197 . 1 . 1 122 122 GLY H H 1 8.8760 0.0000 . 1 . . . . . 164 GLY H . 52010 1 198 . 1 . 1 122 122 GLY N N 15 113.5580 0.0000 . 1 . . . . . 164 GLY N . 52010 1 199 . 1 . 1 123 123 THR H H 1 7.9270 0.0000 . 1 . . . . . 165 THR H . 52010 1 200 . 1 . 1 123 123 THR N N 15 117.3770 0.0000 . 1 . . . . . 165 THR N . 52010 1 201 . 1 . 1 124 124 THR H H 1 8.6480 0.0000 . 1 . . . . . 166 THR H . 52010 1 202 . 1 . 1 124 124 THR N N 15 121.3360 0.0000 . 1 . . . . . 166 THR N . 52010 1 203 . 1 . 1 125 125 LEU H H 1 8.4470 0.0000 . 1 . . . . . 167 LEU H . 52010 1 204 . 1 . 1 125 125 LEU N N 15 125.9820 0.0000 . 1 . . . . . 167 LEU N . 52010 1 205 . 1 . 1 127 127 LYS H H 1 8.2380 0.0000 . 1 . . . . . 169 LYS H . 52010 1 206 . 1 . 1 127 127 LYS N N 15 121.4310 0.0000 . 1 . . . . . 169 LYS N . 52010 1 207 . 1 . 1 128 128 GLY H H 1 8.7260 0.0000 . 1 . . . . . 170 GLY H . 52010 1 208 . 1 . 1 128 128 GLY N N 15 110.7980 0.0000 . 1 . . . . . 170 GLY N . 52010 1 209 . 1 . 1 129 129 PHE H H 1 7.4900 0.0000 . 1 . . . . . 171 PHE H . 52010 1 210 . 1 . 1 129 129 PHE N N 15 117.6220 0.0000 . 1 . . . . . 171 PHE N . 52010 1 211 . 1 . 1 131 131 ALA H H 1 8.8120 0.0000 . 1 . . . . . 173 ALA H . 52010 1 212 . 1 . 1 131 131 ALA N N 15 126.0230 0.0000 . 1 . . . . . 173 ALA N . 52010 1 stop_ save_