################################### # 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 50829 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Q50C_YM4A_Lu _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 0.002 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.005 _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 'Backbone amide NH assignments of the Q50C YM4A mutant tagged with the diamagnetic tag Lu-4R4S-DOTA-M8.' _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' . . . 50829 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 . . 50829 1 2 $software_2 . . 50829 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 3 3 LEU H H 1 8.859 0.000 . 1 . . . . . 3 LEU H . 50829 1 2 . 1 . 1 3 3 LEU N N 15 121.769 0.000 . 1 . . . . . 3 LEU N . 50829 1 3 . 1 . 1 5 5 GLN H H 1 7.652 0.000 . 1 . . . . . 5 GLN H . 50829 1 4 . 1 . 1 5 5 GLN N N 15 117.217 0.000 . 1 . . . . . 5 GLN N . 50829 1 5 . 1 . 1 6 6 MET H H 1 7.887 0.000 . 1 . . . . . 6 MET H . 50829 1 6 . 1 . 1 6 6 MET N N 15 120.212 0.000 . 1 . . . . . 6 MET N . 50829 1 7 . 1 . 1 7 7 VAL H H 1 7.894 0.000 . 1 . . . . . 7 VAL H . 50829 1 8 . 1 . 1 7 7 VAL N N 15 116.991 0.000 . 1 . . . . . 7 VAL N . 50829 1 9 . 1 . 1 8 8 GLN H H 1 7.750 0.000 . 1 . . . . . 8 GLN H . 50829 1 10 . 1 . 1 8 8 GLN N N 15 120.139 0.000 . 1 . . . . . 8 GLN N . 50829 1 11 . 1 . 1 9 9 GLN H H 1 7.782 0.000 . 1 . . . . . 9 GLN H . 50829 1 12 . 1 . 1 9 9 GLN N N 15 118.755 0.000 . 1 . . . . . 9 GLN N . 50829 1 13 . 1 . 1 10 10 LEU H H 1 7.490 0.000 . 1 . . . . . 10 LEU H . 50829 1 14 . 1 . 1 10 10 LEU N N 15 116.442 0.000 . 1 . . . . . 10 LEU N . 50829 1 15 . 1 . 1 11 11 ASN H H 1 7.206 0.000 . 1 . . . . . 11 ASN H . 50829 1 16 . 1 . 1 11 11 ASN N N 15 113.717 0.000 . 1 . . . . . 11 ASN N . 50829 1 17 . 1 . 1 12 12 SER H H 1 7.156 0.000 . 1 . . . . . 12 SER H . 50829 1 18 . 1 . 1 12 12 SER N N 15 116.242 0.000 . 1 . . . . . 12 SER N . 50829 1 19 . 1 . 1 14 14 ASP H H 1 8.444 0.000 . 1 . . . . . 14 ASP H . 50829 1 20 . 1 . 1 14 14 ASP N N 15 122.521 0.000 . 1 . . . . . 14 ASP N . 50829 1 21 . 1 . 1 15 15 GLN H H 1 9.008 0.000 . 1 . . . . . 15 GLN H . 50829 1 22 . 1 . 1 15 15 GLN N N 15 126.092 0.000 . 1 . . . . . 15 GLN N . 50829 1 23 . 1 . 1 16 16 GLN H H 1 8.309 0.000 . 1 . . . . . 16 GLN H . 50829 1 24 . 1 . 1 16 16 GLN N N 15 118.640 0.000 . 1 . . . . . 16 GLN N . 50829 1 25 . 1 . 1 17 17 GLU H H 1 7.965 0.000 . 1 . . . . . 17 GLU H . 50829 1 26 . 1 . 1 17 17 GLU N N 15 123.090 0.000 . 1 . . . . . 17 GLU N . 50829 1 27 . 1 . 1 18 18 LEU H H 1 8.256 0.000 . 1 . . . . . 18 LEU H . 50829 1 28 . 1 . 1 18 18 LEU N N 15 121.996 0.000 . 1 . . . . . 18 LEU N . 50829 1 29 . 1 . 1 19 19 GLN H H 1 8.379 0.000 . 1 . . . . . 19 GLN H . 50829 1 30 . 1 . 1 19 19 GLN N N 15 116.960 0.000 . 1 . . . . . 19 GLN N . 50829 1 31 . 1 . 1 20 20 SER H H 1 8.007 0.000 . 1 . . . . . 20 SER H . 50829 1 32 . 1 . 1 20 20 SER N N 15 114.155 0.000 . 1 . . . . . 20 SER N . 50829 1 33 . 1 . 1 21 21 ALA H H 1 7.953 0.000 . 1 . . . . . 21 ALA H . 50829 1 34 . 1 . 1 21 21 ALA N N 15 125.359 0.000 . 1 . . . . . 21 ALA N . 50829 1 35 . 1 . 1 22 22 LEU H H 1 8.485 0.000 . 1 . . . . . 22 LEU H . 50829 1 36 . 1 . 1 22 22 LEU N N 15 118.691 0.000 . 1 . . . . . 22 LEU N . 50829 1 37 . 1 . 1 23 23 ARG H H 1 8.130 0.000 . 1 . . . . . 23 ARG H . 50829 1 38 . 1 . 1 23 23 ARG N N 15 118.944 0.000 . 1 . . . . . 23 ARG N . 50829 1 39 . 1 . 1 24 24 LYS H H 1 7.731 0.000 . 1 . . . . . 24 LYS H . 50829 1 40 . 1 . 1 24 24 LYS N N 15 120.114 0.000 . 1 . . . . . 24 LYS N . 50829 1 41 . 1 . 1 25 25 LEU H H 1 8.624 0.000 . 1 . . . . . 25 LEU H . 50829 1 42 . 1 . 1 25 25 LEU N N 15 120.896 0.000 . 1 . . . . . 25 LEU N . 50829 1 43 . 1 . 1 26 26 SER H H 1 8.639 0.000 . 1 . . . . . 26 SER H . 50829 1 44 . 1 . 1 26 26 SER N N 15 115.066 0.000 . 1 . . . . . 26 SER N . 50829 1 45 . 1 . 1 27 27 GLN H H 1 7.778 0.000 . 1 . . . . . 27 GLN H . 50829 1 46 . 1 . 1 27 27 GLN N N 15 120.349 0.000 . 1 . . . . . 27 GLN N . 50829 1 47 . 1 . 1 28 28 ILE H H 1 8.329 0.000 . 1 . . . . . 28 ILE H . 50829 1 48 . 1 . 1 28 28 ILE N N 15 123.182 0.000 . 1 . . . . . 28 ILE N . 50829 1 49 . 1 . 1 29 29 ALA H H 1 8.395 0.000 . 1 . . . . . 29 ALA H . 50829 1 50 . 1 . 1 29 29 ALA N N 15 119.534 0.000 . 1 . . . . . 29 ALA N . 50829 1 51 . 1 . 1 30 30 SER H H 1 7.464 0.000 . 1 . . . . . 30 SER H . 50829 1 52 . 1 . 1 30 30 SER N N 15 111.074 0.000 . 1 . . . . . 30 SER N . 50829 1 53 . 1 . 1 31 31 GLY H H 1 8.097 0.000 . 1 . . . . . 31 GLY H . 50829 1 54 . 1 . 1 31 31 GLY N N 15 108.851 0.000 . 1 . . . . . 31 GLY N . 50829 1 55 . 1 . 1 32 32 GLY H H 1 7.976 0.000 . 1 . . . . . 32 GLY H . 50829 1 56 . 1 . 1 32 32 GLY N N 15 108.955 0.000 . 1 . . . . . 32 GLY N . 50829 1 57 . 1 . 1 35 35 GLN H H 1 7.789 0.000 . 1 . . . . . 35 GLN H . 50829 1 58 . 1 . 1 35 35 GLN N N 15 120.564 0.000 . 1 . . . . . 35 GLN N . 50829 1 59 . 1 . 1 36 36 ILE H H 1 8.193 0.000 . 1 . . . . . 36 ILE H . 50829 1 60 . 1 . 1 36 36 ILE N N 15 119.677 0.000 . 1 . . . . . 36 ILE N . 50829 1 61 . 1 . 1 37 37 GLN H H 1 8.173 0.000 . 1 . . . . . 37 GLN H . 50829 1 62 . 1 . 1 37 37 GLN N N 15 118.885 0.000 . 1 . . . . . 37 GLN N . 50829 1 63 . 1 . 1 38 38 ALA H H 1 7.599 0.000 . 1 . . . . . 38 ALA H . 50829 1 64 . 1 . 1 38 38 ALA N N 15 120.597 0.000 . 1 . . . . . 38 ALA N . 50829 1 65 . 1 . 1 39 39 VAL H H 1 7.706 0.000 . 1 . . . . . 39 VAL H . 50829 1 66 . 1 . 1 39 39 VAL N N 15 118.694 0.000 . 1 . . . . . 39 VAL N . 50829 1 67 . 1 . 1 40 40 ILE H H 1 7.882 0.000 . 1 . . . . . 40 ILE H . 50829 1 68 . 1 . 1 40 40 ILE N N 15 120.234 0.000 . 1 . . . . . 40 ILE N . 50829 1 69 . 1 . 1 41 41 ASP H H 1 9.468 0.000 . 1 . . . . . 41 ASP H . 50829 1 70 . 1 . 1 41 41 ASP N N 15 123.631 0.000 . 1 . . . . . 41 ASP N . 50829 1 71 . 1 . 1 42 42 ALA H H 1 7.529 0.000 . 1 . . . . . 42 ALA H . 50829 1 72 . 1 . 1 42 42 ALA N N 15 119.720 0.000 . 1 . . . . . 42 ALA N . 50829 1 73 . 1 . 1 43 43 GLY H H 1 8.123 0.000 . 1 . . . . . 43 GLY H . 50829 1 74 . 1 . 1 43 43 GLY N N 15 104.502 0.000 . 1 . . . . . 43 GLY N . 50829 1 75 . 1 . 1 44 44 ALA H H 1 7.104 0.000 . 1 . . . . . 44 ALA H . 50829 1 76 . 1 . 1 44 44 ALA N N 15 117.003 0.000 . 1 . . . . . 44 ALA N . 50829 1 77 . 1 . 1 45 45 LEU H H 1 9.181 0.000 . 1 . . . . . 45 LEU H . 50829 1 78 . 1 . 1 45 45 LEU N N 15 113.736 0.000 . 1 . . . . . 45 LEU N . 50829 1 79 . 1 . 1 47 47 ALA H H 1 7.087 0.000 . 1 . . . . . 47 ALA H . 50829 1 80 . 1 . 1 47 47 ALA N N 15 118.890 0.000 . 1 . . . . . 47 ALA N . 50829 1 81 . 1 . 1 48 48 LEU H H 1 8.138 0.000 . 1 . . . . . 48 LEU H . 50829 1 82 . 1 . 1 48 48 LEU N N 15 118.103 0.000 . 1 . . . . . 48 LEU N . 50829 1 83 . 1 . 1 49 49 VAL H H 1 8.401 0.000 . 1 . . . . . 49 VAL H . 50829 1 84 . 1 . 1 49 49 VAL N N 15 116.102 0.000 . 1 . . . . . 49 VAL N . 50829 1 85 . 1 . 1 50 50 CYS H H 1 7.774 0.000 . 1 . . . . . 50 CYS H . 50829 1 86 . 1 . 1 50 50 CYS N N 15 120.969 0.000 . 1 . . . . . 50 CYS N . 50829 1 87 . 1 . 1 51 51 LEU H H 1 7.786 0.000 . 1 . . . . . 51 LEU H . 50829 1 88 . 1 . 1 51 51 LEU N N 15 120.497 0.000 . 1 . . . . . 51 LEU N . 50829 1 89 . 1 . 1 52 52 LEU H H 1 7.580 0.000 . 1 . . . . . 52 LEU H . 50829 1 90 . 1 . 1 52 52 LEU N N 15 117.262 0.000 . 1 . . . . . 52 LEU N . 50829 1 91 . 1 . 1 53 53 SER H H 1 7.459 0.000 . 1 . . . . . 53 SER H . 50829 1 92 . 1 . 1 53 53 SER N N 15 111.064 0.000 . 1 . . . . . 53 SER N . 50829 1 93 . 1 . 1 54 54 SER H H 1 7.658 0.000 . 1 . . . . . 54 SER H . 50829 1 94 . 1 . 1 54 54 SER N N 15 119.519 0.000 . 1 . . . . . 54 SER N . 50829 1 95 . 1 . 1 56 56 ASN H H 1 8.255 0.000 . 1 . . . . . 56 ASN H . 50829 1 96 . 1 . 1 56 56 ASN N N 15 119.994 0.000 . 1 . . . . . 56 ASN N . 50829 1 97 . 1 . 1 57 57 GLU H H 1 9.090 0.000 . 1 . . . . . 57 GLU H . 50829 1 98 . 1 . 1 57 57 GLU N N 15 126.612 0.000 . 1 . . . . . 57 GLU N . 50829 1 99 . 1 . 1 58 58 GLN H H 1 8.105 0.000 . 1 . . . . . 58 GLN H . 50829 1 100 . 1 . 1 58 58 GLN N N 15 118.894 0.000 . 1 . . . . . 58 GLN N . 50829 1 101 . 1 . 1 59 59 ILE H H 1 7.530 0.000 . 1 . . . . . 59 ILE H . 50829 1 102 . 1 . 1 59 59 ILE N N 15 119.833 0.000 . 1 . . . . . 59 ILE N . 50829 1 103 . 1 . 1 60 60 LEU H H 1 8.005 0.000 . 1 . . . . . 60 LEU H . 50829 1 104 . 1 . 1 60 60 LEU N N 15 121.049 0.000 . 1 . . . . . 60 LEU N . 50829 1 105 . 1 . 1 61 61 GLN H H 1 8.066 0.000 . 1 . . . . . 61 GLN H . 50829 1 106 . 1 . 1 61 61 GLN N N 15 115.758 0.000 . 1 . . . . . 61 GLN N . 50829 1 107 . 1 . 1 62 62 GLU H H 1 7.607 0.000 . 1 . . . . . 62 GLU H . 50829 1 108 . 1 . 1 62 62 GLU N N 15 118.798 0.000 . 1 . . . . . 62 GLU N . 50829 1 109 . 1 . 1 63 63 ALA H H 1 8.923 0.000 . 1 . . . . . 63 ALA H . 50829 1 110 . 1 . 1 63 63 ALA N N 15 123.462 0.000 . 1 . . . . . 63 ALA N . 50829 1 111 . 1 . 1 64 64 LEU H H 1 8.618 0.000 . 1 . . . . . 64 LEU H . 50829 1 112 . 1 . 1 64 64 LEU N N 15 118.634 0.000 . 1 . . . . . 64 LEU N . 50829 1 113 . 1 . 1 65 65 TRP H H 1 8.241 0.000 . 1 . . . . . 65 TRP H . 50829 1 114 . 1 . 1 65 65 TRP N N 15 122.052 0.000 . 1 . . . . . 65 TRP N . 50829 1 115 . 1 . 1 66 66 ALA H H 1 8.053 0.000 . 1 . . . . . 66 ALA H . 50829 1 116 . 1 . 1 66 66 ALA N N 15 121.389 0.000 . 1 . . . . . 66 ALA N . 50829 1 117 . 1 . 1 67 67 LEU H H 1 8.529 0.000 . 1 . . . . . 67 LEU H . 50829 1 118 . 1 . 1 67 67 LEU N N 15 117.465 0.000 . 1 . . . . . 67 LEU N . 50829 1 119 . 1 . 1 68 68 SER H H 1 8.871 0.000 . 1 . . . . . 68 SER H . 50829 1 120 . 1 . 1 68 68 SER N N 15 115.449 0.000 . 1 . . . . . 68 SER N . 50829 1 121 . 1 . 1 69 69 ASN H H 1 7.916 0.000 . 1 . . . . . 69 ASN H . 50829 1 122 . 1 . 1 69 69 ASN N N 15 119.017 0.000 . 1 . . . . . 69 ASN N . 50829 1 123 . 1 . 1 70 70 ILE H H 1 8.081 0.000 . 1 . . . . . 70 ILE H . 50829 1 124 . 1 . 1 70 70 ILE N N 15 122.855 0.000 . 1 . . . . . 70 ILE N . 50829 1 125 . 1 . 1 71 71 ALA H H 1 8.123 0.000 . 1 . . . . . 71 ALA H . 50829 1 126 . 1 . 1 71 71 ALA N N 15 117.565 0.000 . 1 . . . . . 71 ALA N . 50829 1 127 . 1 . 1 72 72 SER H H 1 6.994 0.000 . 1 . . . . . 72 SER H . 50829 1 128 . 1 . 1 72 72 SER N N 15 110.747 0.000 . 1 . . . . . 72 SER N . 50829 1 129 . 1 . 1 73 73 GLY H H 1 7.701 0.000 . 1 . . . . . 73 GLY H . 50829 1 130 . 1 . 1 73 73 GLY N N 15 108.959 0.000 . 1 . . . . . 73 GLY N . 50829 1 131 . 1 . 1 74 74 GLY H H 1 7.867 0.000 . 1 . . . . . 74 GLY H . 50829 1 132 . 1 . 1 74 74 GLY N N 15 105.607 0.000 . 1 . . . . . 74 GLY N . 50829 1 133 . 1 . 1 76 76 GLU H H 1 9.307 0.000 . 1 . . . . . 76 GLU H . 50829 1 134 . 1 . 1 76 76 GLU N N 15 118.920 0.000 . 1 . . . . . 76 GLU N . 50829 1 135 . 1 . 1 77 77 GLN H H 1 7.516 0.000 . 1 . . . . . 77 GLN H . 50829 1 136 . 1 . 1 77 77 GLN N N 15 122.073 0.000 . 1 . . . . . 77 GLN N . 50829 1 137 . 1 . 1 78 78 ILE H H 1 8.297 0.000 . 1 . . . . . 78 ILE H . 50829 1 138 . 1 . 1 78 78 ILE N N 15 119.328 0.000 . 1 . . . . . 78 ILE N . 50829 1 139 . 1 . 1 79 79 GLN H H 1 8.281 0.000 . 1 . . . . . 79 GLN H . 50829 1 140 . 1 . 1 79 79 GLN N N 15 118.383 0.000 . 1 . . . . . 79 GLN N . 50829 1 141 . 1 . 1 80 80 ALA H H 1 7.463 0.000 . 1 . . . . . 80 ALA H . 50829 1 142 . 1 . 1 80 80 ALA N N 15 120.584 0.000 . 1 . . . . . 80 ALA N . 50829 1 143 . 1 . 1 81 81 VAL H H 1 7.577 0.000 . 1 . . . . . 81 VAL H . 50829 1 144 . 1 . 1 81 81 VAL N N 15 119.612 0.000 . 1 . . . . . 81 VAL N . 50829 1 145 . 1 . 1 82 82 ILE H H 1 7.906 0.000 . 1 . . . . . 82 ILE H . 50829 1 146 . 1 . 1 82 82 ILE N N 15 120.240 0.000 . 1 . . . . . 82 ILE N . 50829 1 147 . 1 . 1 83 83 ASP H H 1 9.468 0.000 . 1 . . . . . 83 ASP H . 50829 1 148 . 1 . 1 83 83 ASP N N 15 123.698 0.000 . 1 . . . . . 83 ASP N . 50829 1 149 . 1 . 1 84 84 ALA H H 1 7.527 0.000 . 1 . . . . . 84 ALA H . 50829 1 150 . 1 . 1 84 84 ALA N N 15 119.739 0.000 . 1 . . . . . 84 ALA N . 50829 1 151 . 1 . 1 85 85 GLY H H 1 8.118 0.000 . 1 . . . . . 85 GLY H . 50829 1 152 . 1 . 1 85 85 GLY N N 15 104.489 0.000 . 1 . . . . . 85 GLY N . 50829 1 153 . 1 . 1 86 86 ALA H H 1 7.090 0.000 . 1 . . . . . 86 ALA H . 50829 1 154 . 1 . 1 86 86 ALA N N 15 117.057 0.000 . 1 . . . . . 86 ALA N . 50829 1 155 . 1 . 1 87 87 LEU H H 1 9.356 0.000 . 1 . . . . . 87 LEU H . 50829 1 156 . 1 . 1 87 87 LEU N N 15 113.642 0.000 . 1 . . . . . 87 LEU N . 50829 1 157 . 1 . 1 89 89 ALA H H 1 6.880 0.000 . 1 . . . . . 89 ALA H . 50829 1 158 . 1 . 1 89 89 ALA N N 15 118.796 0.000 . 1 . . . . . 89 ALA N . 50829 1 159 . 1 . 1 90 90 LEU H H 1 8.132 0.000 . 1 . . . . . 90 LEU H . 50829 1 160 . 1 . 1 90 90 LEU N N 15 117.462 0.000 . 1 . . . . . 90 LEU N . 50829 1 161 . 1 . 1 91 91 VAL H H 1 8.413 0.000 . 1 . . . . . 91 VAL H . 50829 1 162 . 1 . 1 91 91 VAL N N 15 116.092 0.000 . 1 . . . . . 91 VAL N . 50829 1 163 . 1 . 1 92 92 GLN H H 1 7.629 0.000 . 1 . . . . . 92 GLN H . 50829 1 164 . 1 . 1 92 92 GLN N N 15 118.893 0.000 . 1 . . . . . 92 GLN N . 50829 1 165 . 1 . 1 93 93 LEU H H 1 7.653 0.000 . 1 . . . . . 93 LEU H . 50829 1 166 . 1 . 1 93 93 LEU N N 15 119.453 0.000 . 1 . . . . . 93 LEU N . 50829 1 167 . 1 . 1 95 95 SER H H 1 7.454 0.000 . 1 . . . . . 95 SER H . 50829 1 168 . 1 . 1 95 95 SER N N 15 111.099 0.000 . 1 . . . . . 95 SER N . 50829 1 169 . 1 . 1 98 98 ASN H H 1 8.338 0.000 . 1 . . . . . 98 ASN H . 50829 1 170 . 1 . 1 98 98 ASN N N 15 120.682 0.000 . 1 . . . . . 98 ASN N . 50829 1 171 . 1 . 1 99 99 GLU H H 1 9.010 0.000 . 1 . . . . . 99 GLU H . 50829 1 172 . 1 . 1 99 99 GLU N N 15 126.077 0.000 . 1 . . . . . 99 GLU N . 50829 1 173 . 1 . 1 100 100 GLN H H 1 8.114 0.000 . 1 . . . . . 100 GLN H . 50829 1 174 . 1 . 1 100 100 GLN N N 15 118.964 0.000 . 1 . . . . . 100 GLN N . 50829 1 175 . 1 . 1 101 101 ILE H H 1 7.400 0.000 . 1 . . . . . 101 ILE H . 50829 1 176 . 1 . 1 101 101 ILE N N 15 121.422 0.000 . 1 . . . . . 101 ILE N . 50829 1 177 . 1 . 1 102 102 LEU H H 1 8.235 0.000 . 1 . . . . . 102 LEU H . 50829 1 178 . 1 . 1 102 102 LEU N N 15 120.593 0.000 . 1 . . . . . 102 LEU N . 50829 1 179 . 1 . 1 103 103 GLN H H 1 8.058 0.000 . 1 . . . . . 103 GLN H . 50829 1 180 . 1 . 1 103 103 GLN N N 15 115.751 0.000 . 1 . . . . . 103 GLN N . 50829 1 181 . 1 . 1 104 104 GLU H H 1 7.611 0.000 . 1 . . . . . 104 GLU H . 50829 1 182 . 1 . 1 104 104 GLU N N 15 118.793 0.000 . 1 . . . . . 104 GLU N . 50829 1 183 . 1 . 1 105 105 ALA H H 1 8.930 0.000 . 1 . . . . . 105 ALA H . 50829 1 184 . 1 . 1 105 105 ALA N N 15 123.474 0.000 . 1 . . . . . 105 ALA N . 50829 1 185 . 1 . 1 106 106 LEU H H 1 8.449 0.000 . 1 . . . . . 106 LEU H . 50829 1 186 . 1 . 1 106 106 LEU N N 15 118.232 0.000 . 1 . . . . . 106 LEU N . 50829 1 187 . 1 . 1 107 107 TRP H H 1 8.275 0.000 . 1 . . . . . 107 TRP H . 50829 1 188 . 1 . 1 107 107 TRP N N 15 122.416 0.000 . 1 . . . . . 107 TRP N . 50829 1 189 . 1 . 1 108 108 ALA H H 1 8.173 0.000 . 1 . . . . . 108 ALA H . 50829 1 190 . 1 . 1 108 108 ALA N N 15 121.170 0.000 . 1 . . . . . 108 ALA N . 50829 1 191 . 1 . 1 109 109 LEU H H 1 8.356 0.000 . 1 . . . . . 109 LEU H . 50829 1 192 . 1 . 1 109 109 LEU N N 15 117.469 0.000 . 1 . . . . . 109 LEU N . 50829 1 193 . 1 . 1 110 110 SER H H 1 8.808 0.000 . 1 . . . . . 110 SER H . 50829 1 194 . 1 . 1 110 110 SER N N 15 115.526 0.000 . 1 . . . . . 110 SER N . 50829 1 195 . 1 . 1 111 111 ASN H H 1 7.755 0.000 . 1 . . . . . 111 ASN H . 50829 1 196 . 1 . 1 111 111 ASN N N 15 118.793 0.000 . 1 . . . . . 111 ASN N . 50829 1 197 . 1 . 1 112 112 ILE H H 1 8.081 0.000 . 1 . . . . . 112 ILE H . 50829 1 198 . 1 . 1 112 112 ILE N N 15 122.817 0.000 . 1 . . . . . 112 ILE N . 50829 1 199 . 1 . 1 113 113 ALA H H 1 8.133 0.000 . 1 . . . . . 113 ALA H . 50829 1 200 . 1 . 1 113 113 ALA N N 15 117.519 0.000 . 1 . . . . . 113 ALA N . 50829 1 201 . 1 . 1 114 114 SER H H 1 7.004 0.000 . 1 . . . . . 114 SER H . 50829 1 202 . 1 . 1 114 114 SER N N 15 110.821 0.000 . 1 . . . . . 114 SER N . 50829 1 203 . 1 . 1 115 115 GLY H H 1 7.704 0.000 . 1 . . . . . 115 GLY H . 50829 1 204 . 1 . 1 115 115 GLY N N 15 109.136 0.000 . 1 . . . . . 115 GLY N . 50829 1 205 . 1 . 1 116 116 GLY H H 1 7.927 0.000 . 1 . . . . . 116 GLY H . 50829 1 206 . 1 . 1 116 116 GLY N N 15 105.362 0.000 . 1 . . . . . 116 GLY N . 50829 1 207 . 1 . 1 118 118 GLU H H 1 9.300 0.000 . 1 . . . . . 118 GLU H . 50829 1 208 . 1 . 1 118 118 GLU N N 15 118.767 0.000 . 1 . . . . . 118 GLU N . 50829 1 209 . 1 . 1 119 119 GLN H H 1 7.516 0.000 . 1 . . . . . 119 GLN H . 50829 1 210 . 1 . 1 119 119 GLN N N 15 122.144 0.000 . 1 . . . . . 119 GLN N . 50829 1 211 . 1 . 1 120 120 ILE H H 1 8.201 0.000 . 1 . . . . . 120 ILE H . 50829 1 212 . 1 . 1 120 120 ILE N N 15 119.650 0.000 . 1 . . . . . 120 ILE N . 50829 1 213 . 1 . 1 121 121 GLN H H 1 8.275 0.000 . 1 . . . . . 121 GLN H . 50829 1 214 . 1 . 1 121 121 GLN N N 15 118.356 0.000 . 1 . . . . . 121 GLN N . 50829 1 215 . 1 . 1 122 122 ALA H H 1 7.463 0.000 . 1 . . . . . 122 ALA H . 50829 1 216 . 1 . 1 122 122 ALA N N 15 120.620 0.000 . 1 . . . . . 122 ALA N . 50829 1 217 . 1 . 1 123 123 VAL H H 1 7.615 0.000 . 1 . . . . . 123 VAL H . 50829 1 218 . 1 . 1 123 123 VAL N N 15 119.475 0.000 . 1 . . . . . 123 VAL N . 50829 1 219 . 1 . 1 124 124 ILE H H 1 7.905 0.000 . 1 . . . . . 124 ILE H . 50829 1 220 . 1 . 1 124 124 ILE N N 15 119.600 0.000 . 1 . . . . . 124 ILE N . 50829 1 221 . 1 . 1 125 125 ASP H H 1 9.467 0.000 . 1 . . . . . 125 ASP H . 50829 1 222 . 1 . 1 125 125 ASP N N 15 123.639 0.000 . 1 . . . . . 125 ASP N . 50829 1 223 . 1 . 1 126 126 ALA H H 1 7.524 0.000 . 1 . . . . . 126 ALA H . 50829 1 224 . 1 . 1 126 126 ALA N N 15 119.750 0.000 . 1 . . . . . 126 ALA N . 50829 1 225 . 1 . 1 127 127 GLY H H 1 8.122 0.000 . 1 . . . . . 127 GLY H . 50829 1 226 . 1 . 1 127 127 GLY N N 15 104.546 0.000 . 1 . . . . . 127 GLY N . 50829 1 227 . 1 . 1 128 128 ALA H H 1 7.092 0.000 . 1 . . . . . 128 ALA H . 50829 1 228 . 1 . 1 128 128 ALA N N 15 117.026 0.000 . 1 . . . . . 128 ALA N . 50829 1 229 . 1 . 1 129 129 LEU H H 1 9.360 0.000 . 1 . . . . . 129 LEU H . 50829 1 230 . 1 . 1 129 129 LEU N N 15 113.643 0.000 . 1 . . . . . 129 LEU N . 50829 1 231 . 1 . 1 131 131 ALA H H 1 6.850 0.000 . 1 . . . . . 131 ALA H . 50829 1 232 . 1 . 1 131 131 ALA N N 15 118.730 0.000 . 1 . . . . . 131 ALA N . 50829 1 233 . 1 . 1 132 132 LEU H H 1 8.172 0.000 . 1 . . . . . 132 LEU H . 50829 1 234 . 1 . 1 132 132 LEU N N 15 118.126 0.000 . 1 . . . . . 132 LEU N . 50829 1 235 . 1 . 1 133 133 VAL H H 1 8.362 0.000 . 1 . . . . . 133 VAL H . 50829 1 236 . 1 . 1 133 133 VAL N N 15 115.868 0.000 . 1 . . . . . 133 VAL N . 50829 1 237 . 1 . 1 134 134 GLN H H 1 7.614 0.000 . 1 . . . . . 134 GLN H . 50829 1 238 . 1 . 1 134 134 GLN N N 15 119.555 0.000 . 1 . . . . . 134 GLN N . 50829 1 239 . 1 . 1 135 135 LEU H H 1 7.684 0.000 . 1 . . . . . 135 LEU H . 50829 1 240 . 1 . 1 135 135 LEU N N 15 119.546 0.000 . 1 . . . . . 135 LEU N . 50829 1 241 . 1 . 1 137 137 SER H H 1 8.169 0.000 . 1 . . . . . 137 SER H . 50829 1 242 . 1 . 1 137 137 SER N N 15 123.274 0.000 . 1 . . . . . 137 SER N . 50829 1 243 . 1 . 1 138 138 SER H H 1 7.577 0.000 . 1 . . . . . 138 SER H . 50829 1 244 . 1 . 1 138 138 SER N N 15 118.362 0.000 . 1 . . . . . 138 SER N . 50829 1 245 . 1 . 1 139 139 PRO N N 15 119.408 0.000 . 1 . . . . . 139 PRO N . 50829 1 246 . 1 . 1 140 140 ASN H H 1 8.327 0.000 . 1 . . . . . 140 ASN H . 50829 1 247 . 1 . 1 140 140 ASN N N 15 120.698 0.000 . 1 . . . . . 140 ASN N . 50829 1 248 . 1 . 1 141 141 GLU H H 1 8.999 0.000 . 1 . . . . . 141 GLU H . 50829 1 249 . 1 . 1 141 141 GLU N N 15 126.069 0.000 . 1 . . . . . 141 GLU N . 50829 1 250 . 1 . 1 142 142 GLN H H 1 8.221 0.000 . 1 . . . . . 142 GLN H . 50829 1 251 . 1 . 1 142 142 GLN N N 15 119.677 0.000 . 1 . . . . . 142 GLN N . 50829 1 252 . 1 . 1 143 143 ILE H H 1 7.384 0.000 . 1 . . . . . 143 ILE H . 50829 1 253 . 1 . 1 143 143 ILE N N 15 121.332 0.000 . 1 . . . . . 143 ILE N . 50829 1 254 . 1 . 1 144 144 LEU H H 1 8.247 0.000 . 1 . . . . . 144 LEU H . 50829 1 255 . 1 . 1 144 144 LEU N N 15 120.577 0.000 . 1 . . . . . 144 LEU N . 50829 1 256 . 1 . 1 145 145 GLN H H 1 7.999 0.000 . 1 . . . . . 145 GLN H . 50829 1 257 . 1 . 1 145 145 GLN N N 15 115.725 0.000 . 1 . . . . . 145 GLN N . 50829 1 258 . 1 . 1 146 146 GLU H H 1 7.784 0.000 . 1 . . . . . 146 GLU H . 50829 1 259 . 1 . 1 146 146 GLU N N 15 118.652 0.000 . 1 . . . . . 146 GLU N . 50829 1 260 . 1 . 1 147 147 ALA H H 1 8.923 0.000 . 1 . . . . . 147 ALA H . 50829 1 261 . 1 . 1 147 147 ALA N N 15 123.502 0.000 . 1 . . . . . 147 ALA N . 50829 1 262 . 1 . 1 148 148 LEU H H 1 8.433 0.000 . 1 . . . . . 148 LEU H . 50829 1 263 . 1 . 1 148 148 LEU N N 15 118.227 0.000 . 1 . . . . . 148 LEU N . 50829 1 264 . 1 . 1 149 149 TRP H H 1 8.276 0.000 . 1 . . . . . 149 TRP H . 50829 1 265 . 1 . 1 149 149 TRP N N 15 122.481 0.000 . 1 . . . . . 149 TRP N . 50829 1 266 . 1 . 1 150 150 ALA H H 1 8.176 0.000 . 1 . . . . . 150 ALA H . 50829 1 267 . 1 . 1 150 150 ALA N N 15 121.149 0.000 . 1 . . . . . 150 ALA N . 50829 1 268 . 1 . 1 151 151 LEU H H 1 8.425 0.000 . 1 . . . . . 151 LEU H . 50829 1 269 . 1 . 1 151 151 LEU N N 15 116.938 0.000 . 1 . . . . . 151 LEU N . 50829 1 270 . 1 . 1 152 152 SER H H 1 8.812 0.000 . 1 . . . . . 152 SER H . 50829 1 271 . 1 . 1 152 152 SER N N 15 115.525 0.000 . 1 . . . . . 152 SER N . 50829 1 272 . 1 . 1 153 153 ASN H H 1 7.908 0.000 . 1 . . . . . 153 ASN H . 50829 1 273 . 1 . 1 153 153 ASN N N 15 118.942 0.000 . 1 . . . . . 153 ASN N . 50829 1 274 . 1 . 1 154 154 ILE H H 1 8.013 0.000 . 1 . . . . . 154 ILE H . 50829 1 275 . 1 . 1 154 154 ILE N N 15 122.550 0.000 . 1 . . . . . 154 ILE N . 50829 1 276 . 1 . 1 155 155 ALA H H 1 8.129 0.000 . 1 . . . . . 155 ALA H . 50829 1 277 . 1 . 1 155 155 ALA N N 15 117.549 0.000 . 1 . . . . . 155 ALA N . 50829 1 278 . 1 . 1 156 156 SER H H 1 7.492 0.000 . 1 . . . . . 156 SER H . 50829 1 279 . 1 . 1 156 156 SER N N 15 112.242 0.000 . 1 . . . . . 156 SER N . 50829 1 280 . 1 . 1 157 157 GLY H H 1 7.705 0.000 . 1 . . . . . 157 GLY H . 50829 1 281 . 1 . 1 157 157 GLY N N 15 108.972 0.000 . 1 . . . . . 157 GLY N . 50829 1 282 . 1 . 1 158 158 GLY H H 1 7.821 0.000 . 1 . . . . . 158 GLY H . 50829 1 283 . 1 . 1 158 158 GLY N N 15 105.039 0.000 . 1 . . . . . 158 GLY N . 50829 1 284 . 1 . 1 160 160 GLU H H 1 9.303 0.000 . 1 . . . . . 160 GLU H . 50829 1 285 . 1 . 1 160 160 GLU N N 15 118.746 0.000 . 1 . . . . . 160 GLU N . 50829 1 286 . 1 . 1 161 161 GLN H H 1 7.502 0.000 . 1 . . . . . 161 GLN H . 50829 1 287 . 1 . 1 161 161 GLN N N 15 122.127 0.000 . 1 . . . . . 161 GLN N . 50829 1 288 . 1 . 1 162 162 ILE H H 1 8.314 0.000 . 1 . . . . . 162 ILE H . 50829 1 289 . 1 . 1 162 162 ILE N N 15 119.317 0.000 . 1 . . . . . 162 ILE N . 50829 1 290 . 1 . 1 163 163 GLN H H 1 8.454 0.000 . 1 . . . . . 163 GLN H . 50829 1 291 . 1 . 1 163 163 GLN N N 15 118.226 0.000 . 1 . . . . . 163 GLN N . 50829 1 292 . 1 . 1 164 164 ALA H H 1 7.466 0.000 . 1 . . . . . 164 ALA H . 50829 1 293 . 1 . 1 164 164 ALA N N 15 120.674 0.000 . 1 . . . . . 164 ALA N . 50829 1 294 . 1 . 1 165 165 VAL H H 1 7.598 0.000 . 1 . . . . . 165 VAL H . 50829 1 295 . 1 . 1 165 165 VAL N N 15 119.573 0.000 . 1 . . . . . 165 VAL N . 50829 1 296 . 1 . 1 166 166 ILE H H 1 7.894 0.000 . 1 . . . . . 166 ILE H . 50829 1 297 . 1 . 1 166 166 ILE N N 15 120.240 0.000 . 1 . . . . . 166 ILE N . 50829 1 298 . 1 . 1 167 167 ASP H H 1 9.513 0.000 . 1 . . . . . 167 ASP H . 50829 1 299 . 1 . 1 167 167 ASP N N 15 123.729 0.000 . 1 . . . . . 167 ASP N . 50829 1 300 . 1 . 1 168 168 ALA H H 1 7.530 0.000 . 1 . . . . . 168 ALA H . 50829 1 301 . 1 . 1 168 168 ALA N N 15 119.781 0.000 . 1 . . . . . 168 ALA N . 50829 1 302 . 1 . 1 169 169 GLY H H 1 8.122 0.000 . 1 . . . . . 169 GLY H . 50829 1 303 . 1 . 1 169 169 GLY N N 15 104.486 0.000 . 1 . . . . . 169 GLY N . 50829 1 304 . 1 . 1 170 170 ALA H H 1 7.102 0.000 . 1 . . . . . 170 ALA H . 50829 1 305 . 1 . 1 170 170 ALA N N 15 117.008 0.000 . 1 . . . . . 170 ALA N . 50829 1 306 . 1 . 1 171 171 LEU H H 1 9.385 0.000 . 1 . . . . . 171 LEU H . 50829 1 307 . 1 . 1 171 171 LEU N N 15 113.257 0.000 . 1 . . . . . 171 LEU N . 50829 1 308 . 1 . 1 173 173 ALA H H 1 6.874 0.000 . 1 . . . . . 173 ALA H . 50829 1 309 . 1 . 1 173 173 ALA N N 15 118.789 0.000 . 1 . . . . . 173 ALA N . 50829 1 310 . 1 . 1 174 174 LEU H H 1 8.200 0.000 . 1 . . . . . 174 LEU H . 50829 1 311 . 1 . 1 174 174 LEU N N 15 118.237 0.000 . 1 . . . . . 174 LEU N . 50829 1 312 . 1 . 1 175 175 VAL H H 1 8.427 0.000 . 1 . . . . . 175 VAL H . 50829 1 313 . 1 . 1 175 175 VAL N N 15 115.979 0.000 . 1 . . . . . 175 VAL N . 50829 1 314 . 1 . 1 176 176 GLN H H 1 7.796 0.000 . 1 . . . . . 176 GLN H . 50829 1 315 . 1 . 1 176 176 GLN N N 15 120.170 0.000 . 1 . . . . . 176 GLN N . 50829 1 316 . 1 . 1 177 177 LEU H H 1 7.792 0.000 . 1 . . . . . 177 LEU H . 50829 1 317 . 1 . 1 177 177 LEU N N 15 120.162 0.000 . 1 . . . . . 177 LEU N . 50829 1 318 . 1 . 1 178 178 LEU H H 1 7.451 0.000 . 1 . . . . . 178 LEU H . 50829 1 319 . 1 . 1 178 178 LEU N N 15 116.567 0.000 . 1 . . . . . 178 LEU N . 50829 1 320 . 1 . 1 179 179 SER H H 1 7.461 0.000 . 1 . . . . . 179 SER H . 50829 1 321 . 1 . 1 179 179 SER N N 15 111.023 0.000 . 1 . . . . . 179 SER N . 50829 1 322 . 1 . 1 180 180 SER H H 1 7.573 0.000 . 1 . . . . . 180 SER H . 50829 1 323 . 1 . 1 180 180 SER N N 15 118.315 0.000 . 1 . . . . . 180 SER N . 50829 1 324 . 1 . 1 182 182 ASN H H 1 8.333 0.000 . 1 . . . . . 182 ASN H . 50829 1 325 . 1 . 1 182 182 ASN N N 15 120.694 0.000 . 1 . . . . . 182 ASN N . 50829 1 326 . 1 . 1 183 183 GLU H H 1 9.060 0.000 . 1 . . . . . 183 GLU H . 50829 1 327 . 1 . 1 183 183 GLU N N 15 126.254 0.000 . 1 . . . . . 183 GLU N . 50829 1 328 . 1 . 1 184 184 GLN H H 1 8.228 0.000 . 1 . . . . . 184 GLN H . 50829 1 329 . 1 . 1 184 184 GLN N N 15 119.633 0.000 . 1 . . . . . 184 GLN N . 50829 1 330 . 1 . 1 185 185 ILE H H 1 7.410 0.000 . 1 . . . . . 185 ILE H . 50829 1 331 . 1 . 1 185 185 ILE N N 15 121.466 0.000 . 1 . . . . . 185 ILE N . 50829 1 332 . 1 . 1 186 186 LEU H H 1 8.246 0.000 . 1 . . . . . 186 LEU H . 50829 1 333 . 1 . 1 186 186 LEU N N 15 120.605 0.000 . 1 . . . . . 186 LEU N . 50829 1 334 . 1 . 1 187 187 GLN H H 1 7.903 0.000 . 1 . . . . . 187 GLN H . 50829 1 335 . 1 . 1 187 187 GLN N N 15 115.656 0.000 . 1 . . . . . 187 GLN N . 50829 1 336 . 1 . 1 188 188 GLU H H 1 7.801 0.000 . 1 . . . . . 188 GLU H . 50829 1 337 . 1 . 1 188 188 GLU N N 15 118.726 0.000 . 1 . . . . . 188 GLU N . 50829 1 338 . 1 . 1 189 189 ALA H H 1 8.873 0.000 . 1 . . . . . 189 ALA H . 50829 1 339 . 1 . 1 189 189 ALA N N 15 123.601 0.000 . 1 . . . . . 189 ALA N . 50829 1 340 . 1 . 1 190 190 LEU H H 1 8.401 0.000 . 1 . . . . . 190 LEU H . 50829 1 341 . 1 . 1 190 190 LEU N N 15 119.242 0.000 . 1 . . . . . 190 LEU N . 50829 1 342 . 1 . 1 191 191 TRP H H 1 8.368 0.000 . 1 . . . . . 191 TRP H . 50829 1 343 . 1 . 1 191 191 TRP N N 15 121.620 0.000 . 1 . . . . . 191 TRP N . 50829 1 344 . 1 . 1 192 192 ALA H H 1 8.174 0.000 . 1 . . . . . 192 ALA H . 50829 1 345 . 1 . 1 192 192 ALA N N 15 121.161 0.000 . 1 . . . . . 192 ALA N . 50829 1 346 . 1 . 1 193 193 LEU H H 1 8.424 0.000 . 1 . . . . . 193 LEU H . 50829 1 347 . 1 . 1 193 193 LEU N N 15 116.961 0.000 . 1 . . . . . 193 LEU N . 50829 1 348 . 1 . 1 194 194 SER H H 1 8.852 0.000 . 1 . . . . . 194 SER H . 50829 1 349 . 1 . 1 194 194 SER N N 15 115.007 0.000 . 1 . . . . . 194 SER N . 50829 1 350 . 1 . 1 195 195 ASN H H 1 7.796 0.000 . 1 . . . . . 195 ASN H . 50829 1 351 . 1 . 1 195 195 ASN N N 15 118.820 0.000 . 1 . . . . . 195 ASN N . 50829 1 352 . 1 . 1 196 196 ILE H H 1 8.019 0.000 . 1 . . . . . 196 ILE H . 50829 1 353 . 1 . 1 196 196 ILE N N 15 122.978 0.000 . 1 . . . . . 196 ILE N . 50829 1 354 . 1 . 1 197 197 ALA H H 1 8.371 0.000 . 1 . . . . . 197 ALA H . 50829 1 355 . 1 . 1 197 197 ALA N N 15 118.345 0.000 . 1 . . . . . 197 ALA N . 50829 1 356 . 1 . 1 198 198 SER H H 1 7.445 0.000 . 1 . . . . . 198 SER H . 50829 1 357 . 1 . 1 198 198 SER N N 15 111.757 0.000 . 1 . . . . . 198 SER N . 50829 1 358 . 1 . 1 199 199 GLY H H 1 8.006 0.000 . 1 . . . . . 199 GLY H . 50829 1 359 . 1 . 1 199 199 GLY N N 15 108.815 0.000 . 1 . . . . . 199 GLY N . 50829 1 360 . 1 . 1 200 200 GLY H H 1 7.940 0.000 . 1 . . . . . 200 GLY H . 50829 1 361 . 1 . 1 200 200 GLY N N 15 104.452 0.000 . 1 . . . . . 200 GLY N . 50829 1 362 . 1 . 1 201 201 ASN H H 1 8.912 0.000 . 1 . . . . . 201 ASN H . 50829 1 363 . 1 . 1 201 201 ASN N N 15 118.677 0.000 . 1 . . . . . 201 ASN N . 50829 1 364 . 1 . 1 202 202 GLU H H 1 9.492 0.000 . 1 . . . . . 202 GLU H . 50829 1 365 . 1 . 1 202 202 GLU N N 15 119.034 0.000 . 1 . . . . . 202 GLU N . 50829 1 366 . 1 . 1 203 203 GLN H H 1 7.523 0.000 . 1 . . . . . 203 GLN H . 50829 1 367 . 1 . 1 203 203 GLN N N 15 122.100 0.000 . 1 . . . . . 203 GLN N . 50829 1 368 . 1 . 1 204 204 LYS H H 1 8.272 0.000 . 1 . . . . . 204 LYS H . 50829 1 369 . 1 . 1 204 204 LYS N N 15 118.386 0.000 . 1 . . . . . 204 LYS N . 50829 1 370 . 1 . 1 205 205 GLN H H 1 8.273 0.000 . 1 . . . . . 205 GLN H . 50829 1 371 . 1 . 1 205 205 GLN N N 15 117.835 0.000 . 1 . . . . . 205 GLN N . 50829 1 372 . 1 . 1 206 206 ALA H H 1 7.477 0.000 . 1 . . . . . 206 ALA H . 50829 1 373 . 1 . 1 206 206 ALA N N 15 121.547 0.000 . 1 . . . . . 206 ALA N . 50829 1 374 . 1 . 1 207 207 VAL H H 1 7.636 0.000 . 1 . . . . . 207 VAL H . 50829 1 375 . 1 . 1 207 207 VAL N N 15 118.845 0.000 . 1 . . . . . 207 VAL N . 50829 1 376 . 1 . 1 208 208 LYS H H 1 7.915 0.000 . 1 . . . . . 208 LYS H . 50829 1 377 . 1 . 1 208 208 LYS N N 15 118.943 0.000 . 1 . . . . . 208 LYS N . 50829 1 378 . 1 . 1 209 209 GLU H H 1 8.853 0.000 . 1 . . . . . 209 GLU H . 50829 1 379 . 1 . 1 209 209 GLU N N 15 121.418 0.000 . 1 . . . . . 209 GLU N . 50829 1 380 . 1 . 1 210 210 ALA H H 1 7.433 0.000 . 1 . . . . . 210 ALA H . 50829 1 381 . 1 . 1 210 210 ALA N N 15 118.965 0.000 . 1 . . . . . 210 ALA N . 50829 1 382 . 1 . 1 211 211 GLY H H 1 7.827 0.000 . 1 . . . . . 211 GLY H . 50829 1 383 . 1 . 1 211 211 GLY N N 15 104.118 0.000 . 1 . . . . . 211 GLY N . 50829 1 384 . 1 . 1 212 212 ALA H H 1 7.149 0.000 . 1 . . . . . 212 ALA H . 50829 1 385 . 1 . 1 212 212 ALA N N 15 117.163 0.000 . 1 . . . . . 212 ALA N . 50829 1 386 . 1 . 1 213 213 LEU H H 1 8.994 0.000 . 1 . . . . . 213 LEU H . 50829 1 387 . 1 . 1 213 213 LEU N N 15 116.251 0.000 . 1 . . . . . 213 LEU N . 50829 1 388 . 1 . 1 214 214 GLU H H 1 8.377 0.000 . 1 . . . . . 214 GLU H . 50829 1 389 . 1 . 1 214 214 GLU N N 15 116.951 0.000 . 1 . . . . . 214 GLU N . 50829 1 390 . 1 . 1 215 215 LYS H H 1 6.828 0.000 . 1 . . . . . 215 LYS H . 50829 1 391 . 1 . 1 215 215 LYS N N 15 115.969 0.000 . 1 . . . . . 215 LYS N . 50829 1 392 . 1 . 1 216 216 LEU H H 1 8.447 0.000 . 1 . . . . . 216 LEU H . 50829 1 393 . 1 . 1 216 216 LEU N N 15 119.800 0.000 . 1 . . . . . 216 LEU N . 50829 1 394 . 1 . 1 217 217 GLU H H 1 8.086 0.000 . 1 . . . . . 217 GLU H . 50829 1 395 . 1 . 1 217 217 GLU N N 15 116.987 0.000 . 1 . . . . . 217 GLU N . 50829 1 396 . 1 . 1 218 218 GLN H H 1 7.565 0.000 . 1 . . . . . 218 GLN H . 50829 1 397 . 1 . 1 218 218 GLN N N 15 118.342 0.000 . 1 . . . . . 218 GLN N . 50829 1 398 . 1 . 1 219 219 LEU H H 1 7.957 0.000 . 1 . . . . . 219 LEU H . 50829 1 399 . 1 . 1 219 219 LEU N N 15 119.979 0.000 . 1 . . . . . 219 LEU N . 50829 1 400 . 1 . 1 220 220 GLN H H 1 7.529 0.000 . 1 . . . . . 220 GLN H . 50829 1 401 . 1 . 1 220 220 GLN N N 15 116.296 0.000 . 1 . . . . . 220 GLN N . 50829 1 402 . 1 . 1 221 221 SER H H 1 7.580 0.000 . 1 . . . . . 221 SER H . 50829 1 403 . 1 . 1 221 221 SER N N 15 111.391 0.000 . 1 . . . . . 221 SER N . 50829 1 404 . 1 . 1 222 222 HIS H H 1 7.637 0.000 . 1 . . . . . 222 HIS H . 50829 1 405 . 1 . 1 222 222 HIS N N 15 125.505 0.000 . 1 . . . . . 222 HIS N . 50829 1 406 . 1 . 1 223 223 GLU H H 1 8.052 0.000 . 1 . . . . . 223 GLU H . 50829 1 407 . 1 . 1 223 223 GLU N N 15 124.272 0.000 . 1 . . . . . 223 GLU N . 50829 1 408 . 1 . 1 224 224 ASN H H 1 11.664 0.000 . 1 . . . . . 224 ASN H . 50829 1 409 . 1 . 1 224 224 ASN N N 15 124.838 0.000 . 1 . . . . . 224 ASN N . 50829 1 410 . 1 . 1 225 225 GLU H H 1 9.101 0.000 . 1 . . . . . 225 GLU H . 50829 1 411 . 1 . 1 225 225 GLU N N 15 127.892 0.000 . 1 . . . . . 225 GLU N . 50829 1 412 . 1 . 1 226 226 LYS H H 1 8.213 0.000 . 1 . . . . . 226 LYS H . 50829 1 413 . 1 . 1 226 226 LYS N N 15 119.681 0.000 . 1 . . . . . 226 LYS N . 50829 1 414 . 1 . 1 227 227 ILE H H 1 7.218 0.000 . 1 . . . . . 227 ILE H . 50829 1 415 . 1 . 1 227 227 ILE N N 15 120.391 0.000 . 1 . . . . . 227 ILE N . 50829 1 416 . 1 . 1 228 228 GLN H H 1 8.201 0.000 . 1 . . . . . 228 GLN H . 50829 1 417 . 1 . 1 228 228 GLN N N 15 118.053 0.000 . 1 . . . . . 228 GLN N . 50829 1 418 . 1 . 1 229 229 LYS H H 1 7.812 0.000 . 1 . . . . . 229 LYS H . 50829 1 419 . 1 . 1 229 229 LYS N N 15 117.758 0.000 . 1 . . . . . 229 LYS N . 50829 1 420 . 1 . 1 230 230 GLU H H 1 8.240 0.000 . 1 . . . . . 230 GLU H . 50829 1 421 . 1 . 1 230 230 GLU N N 15 119.539 0.000 . 1 . . . . . 230 GLU N . 50829 1 422 . 1 . 1 231 231 ALA H H 1 8.956 0.000 . 1 . . . . . 231 ALA H . 50829 1 423 . 1 . 1 231 231 ALA N N 15 122.757 0.000 . 1 . . . . . 231 ALA N . 50829 1 424 . 1 . 1 232 232 GLN H H 1 8.203 0.000 . 1 . . . . . 232 GLN H . 50829 1 425 . 1 . 1 232 232 GLN N N 15 118.266 0.000 . 1 . . . . . 232 GLN N . 50829 1 426 . 1 . 1 233 233 GLU H H 1 8.304 0.000 . 1 . . . . . 233 GLU H . 50829 1 427 . 1 . 1 233 233 GLU N N 15 119.364 0.000 . 1 . . . . . 233 GLU N . 50829 1 428 . 1 . 1 234 234 ALA H H 1 8.156 0.000 . 1 . . . . . 234 ALA H . 50829 1 429 . 1 . 1 234 234 ALA N N 15 122.073 0.000 . 1 . . . . . 234 ALA N . 50829 1 430 . 1 . 1 235 235 LEU H H 1 8.269 0.000 . 1 . . . . . 235 LEU H . 50829 1 431 . 1 . 1 235 235 LEU N N 15 118.358 0.000 . 1 . . . . . 235 LEU N . 50829 1 432 . 1 . 1 236 236 GLU H H 1 8.024 0.000 . 1 . . . . . 236 GLU H . 50829 1 433 . 1 . 1 236 236 GLU N N 15 119.139 0.000 . 1 . . . . . 236 GLU N . 50829 1 434 . 1 . 1 237 237 LYS H H 1 7.802 0.000 . 1 . . . . . 237 LYS H . 50829 1 435 . 1 . 1 237 237 LYS N N 15 118.815 0.000 . 1 . . . . . 237 LYS N . 50829 1 436 . 1 . 1 238 238 LEU H H 1 7.821 0.000 . 1 . . . . . 238 LEU H . 50829 1 437 . 1 . 1 238 238 LEU N N 15 117.220 0.000 . 1 . . . . . 238 LEU N . 50829 1 438 . 1 . 1 239 239 GLN H H 1 7.688 0.000 . 1 . . . . . 239 GLN H . 50829 1 439 . 1 . 1 239 239 GLN N N 15 116.419 0.000 . 1 . . . . . 239 GLN N . 50829 1 440 . 1 . 1 240 240 SER H H 1 7.695 0.000 . 1 . . . . . 240 SER H . 50829 1 441 . 1 . 1 240 240 SER N N 15 116.404 0.000 . 1 . . . . . 240 SER N . 50829 1 442 . 1 . 1 241 241 HIS H H 1 8.262 0.000 . 1 . . . . . 241 HIS H . 50829 1 443 . 1 . 1 241 241 HIS N N 15 125.695 0.000 . 1 . . . . . 241 HIS N . 50829 1 stop_ save_