data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr50077_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -1.39 _LACS_plot.Line_1_terminator_val_y_1 -1.15 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.53 _LACS_plot.Line_2_terminator_val_x_2 1.71 _LACS_plot.Line_2_terminator_val_y_2 0.49 _LACS_plot.Y_axis_chem_shift_offset 0.44 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 104 HIS -0.57 0.48 0 120 HIS -1.13 0.12 0 172 GLU 0.27 0.97 0 133 HIS -0.10 0.88 0 10 ASN 0.41 -0.29 1 11 TYR 0.06 -0.54 1 12 GLU -1.27 -0.83 1 14 ASN 0.66 -0.27 1 15 LEU 0.59 -0.18 1 16 PHE 0.34 -0.49 1 17 LYS -0.17 -0.71 1 18 THR 0.41 -0.28 1 20 GLN -0.21 -0.50 1 21 ARG -0.10 -0.66 1 22 LYS 0.32 -0.39 1 24 SER -0.35 -0.73 1 25 TYR 0.25 -0.32 1 26 ASN 0.06 -0.54 1 27 GLN 0.50 -0.04 1 28 LEU 0.20 -0.46 1 29 ALA -0.10 -0.45 1 30 SER -0.16 -0.65 1 31 THR 0.22 -0.29 1 33 ILE 0.37 -0.41 1 34 ILE -0.14 -1.07 1 35 PHE 0.05 -0.38 1 36 LYS -0.31 -0.55 1 37 GLU 0.01 -0.36 1 38 GLN 0.25 -0.07 1 40 LEU -0.15 -0.49 1 41 THR -0.01 -0.48 1 42 LEU -0.21 -0.55 1 44 LEU 0.13 -0.37 1 45 TYR -0.06 -0.60 1 46 GLN -1.39 -1.22 1 47 SER 0.11 -0.29 1 49 VAL 0.68 -0.11 1 51 GLU -0.13 -0.32 1 52 LEU 0.49 -0.06 1 53 ASP 0.59 0.00 1 54 LYS 1.71 0.58 1 55 PHE 1.12 0.04 1 56 LYS 0.58 -0.05 1 57 LEU 0.20 -0.21 1 58 ASP -0.02 -0.50 1 59 LEU 1.03 0.10 1 61 ARG 0.33 -0.31 1 62 ASN 0.29 -0.38 1 63 VAL 0.32 -0.23 1 65 ASN 0.51 -0.16 1 70 SER 0.16 -0.37 1 71 LEU 0.21 -0.40 1 72 ARG 0.17 -0.38 1 73 THR 0.05 -0.37 1 74 VAL 0.00 -0.50 1 75 LYS -0.03 -0.37 1 76 THR -0.17 -0.41 1 77 LYS 0.50 -0.06 1 78 MET 0.36 -0.29 1 79 ASP 0.28 -0.12 1 80 GLN -0.09 -0.38 1 81 ALA 0.10 -0.26 1 82 ASP 0.17 -0.24 1 83 ASP 0.07 -0.41 1 84 VAL 0.61 -0.33 1 85 SER 0.08 -0.33 1 86 ALA 0.39 -0.09 1 88 LEU 0.24 -0.47 1 89 LEU 0.02 -0.56 1 90 ASN 0.33 -0.31 1 91 SER 0.55 -0.05 1 92 ALA 0.26 -0.25 1 93 LEU 0.29 -0.39 1 94 SER 0.09 -0.39 1 95 GLU -0.92 -0.80 1 96 SER 0.11 -0.43 1 98 VAL 0.89 -0.03 1 99 VAL 0.26 -0.40 1 100 LEU -0.04 -0.60 1 101 GLN -0.14 -0.58 1 102 ALA -0.03 -0.38 1 103 THR 0.12 -0.39 1 105 VAL -0.18 -0.68 1 106 THR 0.32 -0.32 1 108 GLN 0.06 -0.40 1 109 ARG 0.19 -0.21 1 110 ASP 0.03 -0.38 1 111 LYS 0.83 -0.11 1 112 SER 0.70 0.14 1 113 VAL 0.38 -0.30 1 114 VAL 0.30 -0.39 1 115 ALA 0.42 -0.07 1 117 SER 0.07 -0.31 1 118 LEU 0.48 -0.30 1 119 PHE -0.15 -0.54 1 121 THR 0.29 -0.33 1 123 LYS 0.22 -0.26 1 124 PHE -0.34 -0.61 1 125 VAL -0.60 -0.75 1 126 LYS 0.83 0.18 1 128 ARG -0.06 -0.46 1 129 GLN -0.35 -0.65 1 130 THR 0.54 -0.21 1 132 LYS 0.70 0.00 1 134 ILE 0.60 -0.13 1 135 SER 0.61 -0.03 1 136 GLU 0.05 -0.15 1 137 SER 0.22 -0.33 1 138 LEU 0.54 -0.16 1 140 ALA -0.42 -0.55 1 141 GLU -0.32 -0.55 1 142 VAL -0.55 -0.83 1 143 ASP -0.33 -0.52 1 145 ASP 0.66 -0.01 1 146 MET 0.75 -0.54 1 147 SER 1.22 0.51 1 148 TRP 0.40 -0.32 1 149 SER 0.27 -0.33 1 150 SER 0.61 0.01 1 151 SER 0.54 -0.06 1 152 LEU 0.15 -0.50 1 153 ALA -0.26 -0.63 1 154 THR 0.05 -0.50 1 157 THR 0.05 -0.37 1 158 LEU 0.02 -0.45 1 159 SER 0.15 -0.38 1 160 SER 0.17 -0.34 1 161 THR 0.58 -0.07 1 162 VAL 0.43 -0.30 1 163 LEU -0.04 -0.63 1 164 ILE -0.08 -0.87 1 165 VAL 0.13 -0.47 1 166 ARG -0.47 -0.76 1 167 ASN 0.16 -0.30 1 168 GLU -0.06 -0.29 1 169 GLU -0.51 -0.65 1 170 ALA -0.51 -0.62 1 171 SER -0.23 -0.46 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr50077_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -1.39 _LACS_plot.Line_1_terminator_val_y_1 0.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.41 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.47 _LACS_plot.Line_2_terminator_val_x_2 1.71 _LACS_plot.Line_2_terminator_val_y_2 -1.22 _LACS_plot.Y_axis_chem_shift_offset 0.44 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 104 HIS -0.57 1.05 0 120 HIS -1.13 1.25 0 172 GLU 0.27 0.70 0 133 HIS -0.10 0.98 0 10 ASN 0.41 -0.70 1 11 TYR 0.06 -0.60 1 12 GLU -1.27 0.44 1 14 ASN 0.66 -0.93 1 15 LEU 0.59 -0.77 1 16 PHE 0.34 -0.83 1 17 LYS -0.17 -0.54 1 18 THR 0.41 -0.69 1 20 GLN -0.21 -0.29 1 21 ARG -0.10 -0.56 1 22 LYS 0.32 -0.71 1 24 SER -0.35 -0.38 1 25 TYR 0.25 -0.57 1 26 ASN 0.06 -0.60 1 27 GLN 0.50 -0.54 1 28 LEU 0.20 -0.66 1 29 ALA -0.10 -0.35 1 30 SER -0.16 -0.49 1 31 THR 0.22 -0.51 1 33 ILE 0.37 -0.78 1 34 ILE -0.14 -0.93 1 35 PHE 0.05 -0.43 1 36 LYS -0.31 -0.24 1 37 GLU 0.01 -0.37 1 38 GLN 0.25 -0.32 1 40 LEU -0.15 -0.34 1 41 THR -0.01 -0.47 1 42 LEU -0.21 -0.34 1 44 LEU 0.13 -0.50 1 45 TYR -0.06 -0.54 1 46 GLN -1.39 0.17 1 47 SER 0.11 -0.40 1 49 VAL 0.68 -0.79 1 51 GLU -0.13 -0.19 1 52 LEU 0.49 -0.55 1 53 ASP 0.59 -0.59 1 54 LYS 1.71 -1.13 1 55 PHE 1.12 -1.08 1 56 LYS 0.58 -0.63 1 57 LEU 0.20 -0.41 1 58 ASP -0.02 -0.48 1 59 LEU 1.03 -0.93 1 61 ARG 0.33 -0.64 1 62 ASN 0.29 -0.67 1 63 VAL 0.32 -0.55 1 65 ASN 0.51 -0.67 1 70 SER 0.16 -0.53 1 71 LEU 0.21 -0.61 1 72 ARG 0.17 -0.55 1 73 THR 0.05 -0.42 1 74 VAL 0.00 -0.50 1 75 LYS -0.03 -0.34 1 76 THR -0.17 -0.24 1 77 LYS 0.50 -0.56 1 78 MET 0.36 -0.65 1 79 ASP 0.28 -0.40 1 80 GLN -0.09 -0.29 1 81 ALA 0.10 -0.36 1 82 ASP 0.17 -0.41 1 83 ASP 0.07 -0.48 1 84 VAL 0.61 -0.94 1 85 SER 0.08 -0.41 1 86 ALA 0.39 -0.48 1 88 LEU 0.24 -0.71 1 89 LEU 0.02 -0.58 1 90 ASN 0.33 -0.64 1 91 SER 0.55 -0.60 1 92 ALA 0.26 -0.51 1 93 LEU 0.29 -0.68 1 94 SER 0.09 -0.48 1 95 GLU -0.92 0.12 1 96 SER 0.11 -0.54 1 98 VAL 0.89 -0.92 1 99 VAL 0.26 -0.66 1 100 LEU -0.04 -0.56 1 101 GLN -0.14 -0.44 1 102 ALA -0.03 -0.35 1 103 THR 0.12 -0.51 1 105 VAL -0.18 -0.50 1 106 THR 0.32 -0.64 1 108 GLN 0.06 -0.46 1 109 ARG 0.19 -0.40 1 110 ASP 0.03 -0.41 1 111 LYS 0.83 -0.94 1 112 SER 0.70 -0.56 1 113 VAL 0.38 -0.68 1 114 VAL 0.30 -0.69 1 115 ALA 0.42 -0.49 1 117 SER 0.07 -0.38 1 118 LEU 0.48 -0.78 1 119 PHE -0.15 -0.39 1 121 THR 0.29 -0.62 1 123 LYS 0.22 -0.48 1 124 PHE -0.34 -0.27 1 125 VAL -0.60 -0.15 1 126 LYS 0.83 -0.65 1 128 ARG -0.06 -0.40 1 129 GLN -0.35 -0.30 1 130 THR 0.54 -0.75 1 132 LYS 0.70 -0.70 1 134 ILE 0.60 -0.73 1 135 SER 0.61 -0.64 1 136 GLU 0.05 -0.20 1 137 SER 0.22 -0.55 1 138 LEU 0.54 -0.70 1 140 ALA -0.42 -0.13 1 141 GLU -0.32 -0.23 1 142 VAL -0.55 -0.28 1 143 ASP -0.33 -0.19 1 145 ASP 0.66 -0.67 1 146 MET 0.75 -1.29 1 147 SER 1.22 -0.71 1 148 TRP 0.40 -0.72 1 149 SER 0.27 -0.60 1 150 SER 0.61 -0.60 1 151 SER 0.54 -0.60 1 152 LEU 0.15 -0.65 1 153 ALA -0.26 -0.37 1 154 THR 0.05 -0.55 1 157 THR 0.05 -0.42 1 158 LEU 0.02 -0.47 1 159 SER 0.15 -0.53 1 160 SER 0.17 -0.51 1 161 THR 0.58 -0.65 1 162 VAL 0.43 -0.73 1 163 LEU -0.04 -0.59 1 164 ILE -0.08 -0.79 1 165 VAL 0.13 -0.60 1 166 ARG -0.47 -0.29 1 167 ASN 0.16 -0.46 1 168 GLU -0.06 -0.23 1 169 GLU -0.51 -0.14 1 170 ALA -0.51 -0.11 1 171 SER -0.23 -0.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr50077_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -1.39 _LACS_plot.Line_1_terminator_val_y_1 -1.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.55 _LACS_plot.Line_2_terminator_val_x_2 1.71 _LACS_plot.Line_2_terminator_val_y_2 -0.07 _LACS_plot.Y_axis_chem_shift_offset 0.75 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 172 GLU 0.27 -5.01 0 10 ASN 0.41 -1.05 1 11 TYR 0.06 -1.20 1 12 GLU -1.27 -1.35 1 14 ASN 0.66 -0.32 1 15 LEU 0.59 -0.93 1 16 PHE 0.34 -0.65 1 17 LYS -0.17 -0.94 1 18 THR 0.41 -0.86 1 20 GLN -0.21 -0.52 1 21 ARG -0.10 -0.76 1 22 LYS 0.32 -0.74 1 24 SER -0.35 -0.82 1 25 TYR 0.25 -0.89 1 26 ASN 0.06 -0.79 1 27 GLN 0.50 -0.47 1 28 LEU 0.20 -0.77 1 29 ALA -0.10 -0.60 1 30 SER -0.16 -0.79 1 31 THR 0.22 -1.02 1 33 ILE 0.37 -0.87 1 34 ILE -0.14 -1.13 1 35 PHE 0.05 -0.88 1 36 LYS -0.31 -1.13 1 37 GLU 0.01 -0.54 1 38 GLN 0.25 0.00 1 40 LEU -0.15 -0.53 1 41 THR -0.01 -1.04 1 42 LEU -0.21 -1.13 1 44 LEU 0.13 -0.92 1 45 TYR -0.06 -1.07 1 46 GLN -1.39 -1.55 1 47 SER 0.11 -0.70 1 49 VAL 0.68 -0.51 1 51 GLU -0.13 -0.99 1 52 LEU 0.49 -0.60 1 53 ASP 0.59 0.03 1 54 LYS 1.71 -0.28 1 55 PHE 1.12 -0.27 1 56 LYS 0.58 -0.59 1 57 LEU 0.20 -0.99 1 58 ASP -0.02 -0.21 1 59 LEU 1.03 0.29 1 61 ARG 0.33 -0.69 1 62 ASN 0.29 -0.96 1 63 VAL 0.32 -0.84 1 65 ASN 0.51 -0.15 1 70 SER 0.16 -0.51 1 71 LEU 0.21 -0.75 1 72 ARG 0.17 -0.42 1 73 THR 0.05 -0.76 1 74 VAL 0.00 -0.84 1 75 LYS -0.03 -0.38 1 76 THR -0.17 -0.67 1 77 LYS 0.50 -0.48 1 78 MET 0.36 -0.68 1 79 ASP 0.28 -0.71 1 80 GLN -0.09 -0.76 1 81 ALA 0.10 -0.69 1 82 ASP 0.17 -0.79 1 83 ASP 0.07 -0.32 1 84 VAL 0.61 -0.41 1 85 SER 0.08 -1.22 1 86 ALA 0.39 -1.01 1 88 LEU 0.24 -0.57 1 89 LEU 0.02 -0.97 1 90 ASN 0.33 -0.19 1 91 SER 0.55 -0.60 1 92 ALA 0.26 -0.34 1 93 LEU 0.29 -0.49 1 94 SER 0.09 -0.69 1 95 GLU -0.92 -0.84 1 96 SER 0.11 -0.97 1 98 VAL 0.89 -0.53 1 99 VAL 0.26 -0.73 1 100 LEU -0.04 -0.88 1 101 GLN -0.14 -0.82 1 102 ALA -0.03 -0.44 1 103 THR 0.12 -0.93 1 104 HIS -0.57 0.22 1 105 VAL -0.18 -0.81 1 106 THR 0.32 -1.01 1 108 GLN 0.06 -0.33 1 109 ARG 0.19 -0.82 1 110 ASP 0.03 -0.36 1 111 LYS 0.83 -0.31 1 112 SER 0.70 -0.53 1 113 VAL 0.38 -0.50 1 114 VAL 0.30 -0.71 1 115 ALA 0.42 0.00 1 117 SER 0.07 -0.41 1 118 LEU 0.48 -1.10 1 119 PHE -0.15 -1.02 1 120 HIS -1.13 0.03 1 121 THR 0.29 -1.14 1 123 LYS 0.22 -0.92 1 124 PHE -0.34 -0.98 1 125 VAL -0.60 -1.30 1 126 LYS 0.83 -0.08 1 128 ARG -0.06 -0.45 1 129 GLN -0.35 -0.63 1 130 THR 0.54 -0.91 1 132 LYS 0.70 -0.64 1 133 HIS -0.10 0.84 1 134 ILE 0.60 -0.65 1 135 SER 0.61 -0.20 1 136 GLU 0.05 -0.49 1 137 SER 0.22 -0.44 1 138 LEU 0.54 -0.13 1 140 ALA -0.42 -0.56 1 141 GLU -0.32 -0.70 1 142 VAL -0.55 -1.25 1 143 ASP -0.33 -0.62 1 145 ASP 0.66 -0.10 1 146 MET 0.75 -0.02 1 147 SER 1.22 -0.40 1 148 TRP 0.40 -0.04 1 149 SER 0.27 -0.44 1 150 SER 0.61 -0.23 1 151 SER 0.54 -0.60 1 152 LEU 0.15 -1.04 1 153 ALA -0.26 -0.72 1 154 THR 0.05 -1.32 1 157 THR 0.05 -0.54 1 158 LEU 0.02 -0.65 1 159 SER 0.15 -0.42 1 160 SER 0.17 -0.31 1 161 THR 0.58 -0.81 1 162 VAL 0.43 -1.11 1 163 LEU -0.04 -1.38 1 164 ILE -0.08 -0.94 1 165 VAL 0.13 -1.01 1 166 ARG -0.47 -1.09 1 167 ASN 0.16 -0.39 1 168 GLU -0.06 -0.61 1 169 GLU -0.51 -0.92 1 170 ALA -0.51 -0.70 1 171 SER -0.23 -1.38 1 stop_ save_