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 bmr15736_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.26 _LACS_plot.Line_1_terminator_val_y_1 -2.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.72 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.19 _LACS_plot.Line_2_terminator_val_x_2 7.15 _LACS_plot.Line_2_terminator_val_y_2 5.82 _LACS_plot.Y_axis_chem_shift_offset -0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 129 LYS -9.26 -1.77 0 21 MET -0.12 -0.03 1 22 ASP 0.21 0.29 1 23 ILE 0.13 0.36 1 24 ASP 0.21 0.30 1 25 ALA 0.22 0.43 1 26 THR 2.73 2.65 1 30 ARG 0.20 0.09 1 31 ARG 0.77 1.43 1 34 SER -0.29 -0.02 1 35 ASN -0.04 1.94 1 36 GLN 0.22 0.32 1 37 ARG -0.42 0.09 1 39 LEU 0.06 0.09 1 41 GLN -0.05 0.02 1 42 ILE 0.04 -0.03 1 43 TRP 0.00 0.84 1 45 VAL 0.01 -0.01 1 46 LYS 0.81 1.53 1 47 LYS 0.72 1.49 1 49 SER -0.04 -0.03 1 50 VAL 0.19 0.18 1 51 TYR 0.31 1.26 1 52 LEU 0.11 0.18 1 53 MET 2.13 3.57 1 55 LEU 1.09 1.13 1 56 ARG 0.40 0.21 1 58 SER 0.46 0.46 1 60 THR 0.19 0.15 1 61 LEU 0.26 0.31 1 63 HIS -0.59 1.23 1 66 SER -0.22 -0.02 1 67 LEU -1.96 0.02 1 68 ASP -2.94 -1.64 1 69 GLU 4.60 4.77 1 70 THR 5.67 4.39 1 71 THR 6.47 4.98 1 72 TYR 5.79 4.58 1 73 GLU 4.07 3.60 1 74 ARG 4.13 3.23 1 75 LEU 2.50 2.58 1 76 ALA 4.79 3.25 1 77 GLU 4.36 3.60 1 78 GLU 2.13 3.34 1 79 THR 7.16 6.14 1 80 LEU 4.50 3.45 1 81 ASP 3.34 3.50 1 82 SER 2.67 2.82 1 83 LEU 2.51 3.04 1 84 ALA 5.30 3.93 1 85 GLU 2.99 2.93 1 86 PHE 3.87 3.56 1 87 PHE 6.51 4.96 1 88 GLU 4.25 3.62 1 89 ASP 2.00 2.29 1 90 LEU 1.67 0.47 1 91 ALA 2.98 2.84 1 92 ASP 0.17 -0.38 1 93 LYS 0.03 -1.99 1 95 TYR -1.69 -3.39 1 96 THR -2.60 -2.32 1 97 PHE -1.58 -0.84 1 98 GLU 2.75 2.60 1 99 ASP 1.26 -1.62 1 100 TYR -0.74 0.60 1 101 ASP -4.59 0.33 1 102 VAL -3.06 -1.65 1 103 SER -3.27 -1.56 1 104 PHE -5.07 -3.27 1 106 SER 2.20 0.12 1 108 VAL -1.38 -0.19 1 109 LEU -3.82 -1.47 1 110 THR 0.05 -0.02 1 111 VAL -2.44 -1.34 1 112 LYS -1.06 -1.04 1 113 LEU 0.61 1.93 1 116 ASP 0.32 -0.46 1 117 LEU -0.38 1.32 1 119 THR -3.13 -0.64 1 120 TYR -3.38 -0.21 1 121 VAL -1.96 -0.30 1 122 ILE -2.49 -0.80 1 123 ASN -5.33 -0.82 1 124 LYS 0.32 0.80 1 125 GLN 0.50 -1.64 1 126 THR -1.25 -0.04 1 128 ASN 5.45 1.21 1 130 GLN -0.81 0.04 1 131 ILE -3.41 -2.05 1 132 TRP -7.24 -1.55 1 133 LEU -0.96 -1.23 1 134 SER -4.62 -4.65 1 135 SER -0.01 0.48 1 137 SER -0.77 -0.52 1 138 SER -6.26 -0.44 1 141 LYS -2.06 -0.49 1 142 ARG -0.35 1.87 1 143 TYR -4.58 -0.37 1 144 ASP -1.87 -1.41 1 145 TRP -2.81 -0.65 1 146 THR -2.76 -0.17 1 148 LYS 0.99 -1.50 1 149 ASN -3.00 -2.51 1 150 TRP -4.63 -0.49 1 151 VAL -1.95 -3.70 1 152 TYR 4.50 3.28 1 153 SER 1.91 3.51 1 154 HIS -2.76 -1.15 1 155 ASP 2.36 1.51 1 157 VAL -2.62 -0.48 1 158 SER 2.86 2.91 1 159 LEU 5.46 7.08 1 160 HIS 2.65 2.94 1 161 GLU 5.28 3.29 1 162 LEU 2.34 2.85 1 163 LEU 3.64 3.57 1 164 ALA 3.61 2.90 1 165 ALA 3.73 3.69 1 166 GLU 3.19 2.99 1 167 LEU 4.18 3.95 1 168 THR 3.02 2.84 1 169 LYS 2.43 2.65 1 170 ALA 0.92 -0.64 1 171 LEU 5.18 0.97 1 172 LYS -2.30 -0.96 1 173 THR 2.54 1.39 1 174 LYS -4.29 -1.21 1 175 LEU -2.90 -0.48 1 176 ASP 4.42 3.86 1 178 SER 1.39 0.67 1 179 SER 1.53 -0.20 1 180 LEU 0.51 0.70 1 181 ALA 6.53 2.18 1 182 TYR 1.47 0.92 1 183 SER 0.01 -0.18 1 185 LYS 0.52 0.29 1 186 ASP -0.17 1.27 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15736_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.26 _LACS_plot.Line_1_terminator_val_y_1 6.79 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.81 _LACS_plot.Line_2_terminator_val_x_2 7.15 _LACS_plot.Line_2_terminator_val_y_2 -1.33 _LACS_plot.Y_axis_chem_shift_offset -0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 129 LYS -9.26 7.49 0 21 MET -0.12 0.09 1 22 ASP 0.21 0.08 1 23 ILE 0.13 0.23 1 24 ASP 0.21 0.09 1 25 ALA 0.22 0.21 1 26 THR 2.73 -0.08 1 30 ARG 0.20 -0.11 1 31 ARG 0.77 0.66 1 34 SER -0.29 0.27 1 35 ASN -0.04 1.98 1 36 GLN 0.22 0.10 1 37 ARG -0.42 0.51 1 39 LEU 0.06 0.03 1 41 GLN -0.05 0.07 1 42 ILE 0.04 -0.07 1 43 TRP 0.00 0.84 1 45 VAL 0.01 -0.02 1 46 LYS 0.81 0.72 1 47 LYS 0.72 0.77 1 49 SER -0.04 0.01 1 50 VAL 0.19 -0.01 1 51 TYR 0.31 0.95 1 52 LEU 0.11 0.07 1 53 MET 2.13 1.44 1 55 LEU 1.09 0.04 1 56 ARG 0.40 -0.19 1 58 SER 0.46 0.00 1 60 THR 0.19 -0.04 1 61 LEU 0.26 0.05 1 63 HIS -0.59 1.82 1 66 SER -0.22 0.20 1 67 LEU -1.96 1.98 1 68 ASP -2.94 1.30 1 69 GLU 4.60 0.17 1 70 THR 5.67 -1.28 1 71 THR 6.47 -1.49 1 72 TYR 5.79 -1.21 1 73 GLU 4.07 -0.47 1 74 ARG 4.13 -0.90 1 75 LEU 2.50 0.08 1 76 ALA 4.79 -1.54 1 77 GLU 4.36 -0.76 1 78 GLU 2.13 1.21 1 79 THR 7.16 -1.02 1 80 LEU 4.50 -1.05 1 81 ASP 3.34 0.16 1 82 SER 2.67 0.15 1 83 LEU 2.51 0.53 1 84 ALA 5.30 -1.37 1 85 GLU 2.99 -0.06 1 86 PHE 3.87 -0.31 1 87 PHE 6.51 -1.55 1 88 GLU 4.25 -0.63 1 89 ASP 2.00 0.29 1 90 LEU 1.67 -1.20 1 91 ALA 2.98 -0.14 1 92 ASP 0.17 -0.55 1 93 LYS 0.03 -2.02 1 95 TYR -1.69 -1.70 1 96 THR -2.60 0.28 1 97 PHE -1.58 0.74 1 98 GLU 2.75 -0.15 1 99 ASP 1.26 -2.88 1 100 TYR -0.74 1.34 1 101 ASP -4.59 4.92 1 102 VAL -3.06 1.41 1 103 SER -3.27 1.71 1 104 PHE -5.07 1.80 1 106 SER 2.20 -2.08 1 108 VAL -1.38 1.19 1 109 LEU -3.82 2.35 1 110 THR 0.05 -0.07 1 111 VAL -2.44 1.10 1 112 LYS -1.06 0.02 1 113 LEU 0.61 1.32 1 116 ASP 0.32 -0.78 1 117 LEU -0.38 1.70 1 119 THR -3.13 2.49 1 120 TYR -3.38 3.17 1 121 VAL -1.96 1.66 1 122 ILE -2.49 1.69 1 123 ASN -5.33 4.51 1 124 LYS 0.32 0.48 1 125 GLN 0.50 -2.14 1 126 THR -1.25 1.21 1 128 ASN 5.45 -4.24 1 130 GLN -0.81 0.85 1 131 ILE -3.41 1.36 1 132 TRP -7.24 5.69 1 133 LEU -0.96 -0.27 1 134 SER -4.62 -0.03 1 135 SER -0.01 0.49 1 137 SER -0.77 0.25 1 138 SER -6.26 5.82 1 141 LYS -2.06 1.57 1 142 ARG -0.35 2.22 1 143 TYR -4.58 4.21 1 144 ASP -1.87 0.46 1 145 TRP -2.81 2.16 1 146 THR -2.76 2.59 1 148 LYS 0.99 -2.49 1 149 ASN -3.00 0.49 1 150 TRP -4.63 4.14 1 151 VAL -1.95 -1.75 1 152 TYR 4.50 -1.22 1 153 SER 1.91 1.60 1 154 HIS -2.76 1.61 1 155 ASP 2.36 -0.85 1 157 VAL -2.62 2.14 1 158 SER 2.86 0.05 1 159 LEU 5.46 1.62 1 160 HIS 2.65 0.29 1 161 GLU 5.28 -1.99 1 162 LEU 2.34 0.51 1 163 LEU 3.64 -0.07 1 164 ALA 3.61 -0.71 1 165 ALA 3.73 -0.04 1 166 GLU 3.19 -0.20 1 167 LEU 4.18 -0.23 1 168 THR 3.02 -0.18 1 169 LYS 2.43 0.22 1 170 ALA 0.92 -1.56 1 171 LEU 5.18 -4.21 1 172 LYS -2.30 1.34 1 173 THR 2.54 -1.15 1 174 LYS -4.29 3.08 1 175 LEU -2.90 2.42 1 176 ASP 4.42 -0.56 1 178 SER 1.39 -0.72 1 179 SER 1.53 -1.73 1 180 LEU 0.51 0.19 1 181 ALA 6.53 -4.35 1 182 TYR 1.47 -0.55 1 183 SER 0.01 -0.19 1 185 LYS 0.52 -0.23 1 186 ASP -0.17 1.44 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15736_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.26 _LACS_plot.Line_1_terminator_val_y_1 1.16 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.16 _LACS_plot.Line_2_terminator_val_x_2 7.15 _LACS_plot.Line_2_terminator_val_y_2 -0.77 _LACS_plot.Y_axis_chem_shift_offset 0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 128 ASN 5.45 -2.37 0 22 ASP 0.21 -0.06 1 24 ASP 0.21 -0.07 1 25 ALA 0.22 -0.03 1 26 THR 2.73 -0.35 1 30 ARG 0.20 -0.09 1 31 ARG 0.77 -0.22 1 35 ASN -0.04 -0.29 1 37 ARG -0.42 -0.22 1 39 LEU 0.06 -0.27 1 42 ILE 0.04 -0.38 1 43 TRP 0.00 -0.17 1 46 LYS 0.81 -0.21 1 47 LYS 0.72 -0.22 1 50 VAL 0.19 0.21 1 51 TYR 0.31 -0.19 1 53 MET 2.13 -0.26 1 61 LEU 0.26 -0.01 1 66 SER -0.22 0.02 1 67 LEU -1.96 0.10 1 69 GLU 4.60 -0.58 1 70 THR 5.67 -0.36 1 71 THR 6.47 -0.57 1 72 TYR 5.79 -0.87 1 73 GLU 4.07 -0.92 1 74 ARG 4.13 -0.30 1 75 LEU 2.50 -0.68 1 76 ALA 4.79 -0.75 1 77 GLU 4.36 -0.44 1 78 GLU 2.13 -0.20 1 79 THR 7.16 -0.21 1 80 LEU 4.50 -0.55 1 81 ASP 3.34 -0.38 1 82 SER 2.67 -0.17 1 83 LEU 2.51 -0.37 1 84 ALA 5.30 -0.59 1 85 GLU 2.99 -0.38 1 86 PHE 3.87 -0.50 1 87 PHE 6.51 -0.52 1 88 GLU 4.25 -0.15 1 89 ASP 2.00 -0.25 1 90 LEU 1.67 -0.56 1 91 ALA 2.98 -0.71 1 92 ASP 0.17 -0.14 1 93 LYS 0.03 -0.41 1 95 TYR -1.69 -0.02 1 96 THR -2.60 0.04 1 97 PHE -1.58 0.11 1 98 GLU 2.75 -0.21 1 99 ASP 1.26 -0.03 1 100 TYR -0.74 0.02 1 101 ASP -4.59 0.11 1 102 VAL -3.06 0.49 1 103 SER -3.27 0.35 1 104 PHE -5.07 1.30 1 108 VAL -1.38 0.36 1 109 LEU -3.82 0.95 1 110 THR 0.05 0.67 1 111 VAL -2.44 0.14 1 112 LYS -1.06 0.22 1 113 LEU 0.61 0.07 1 117 LEU -0.38 -0.19 1 119 THR -3.13 0.96 1 120 TYR -3.38 0.40 1 121 VAL -1.96 0.80 1 122 ILE -2.49 1.04 1 123 ASN -5.33 1.05 1 124 LYS 0.32 -0.25 1 125 GLN 0.50 0.04 1 126 THR -1.25 -0.01 1 129 LYS -9.26 1.41 1 130 GLN -0.81 0.46 1 131 ILE -3.41 0.99 1 132 TRP -7.24 0.99 1 133 LEU -0.96 -0.01 1 134 SER -4.62 0.02 1 135 SER -0.01 0.11 1 137 SER -0.77 -0.31 1 138 SER -6.26 -0.38 1 141 LYS -2.06 0.34 1 142 ARG -0.35 0.07 1 143 TYR -4.58 1.02 1 144 ASP -1.87 0.02 1 145 TRP -2.81 -0.10 1 146 THR 0.99 -0.23 1 149 ASN -3.00 1.10 1 150 TRP -4.63 0.74 1 151 VAL -1.95 0.62 1 152 TYR 4.50 -0.55 1 153 SER 1.91 -0.71 1 154 HIS -2.76 0.02 1 155 ASP 2.36 -0.05 1 157 VAL -2.62 1.08 1 158 SER 2.86 -0.38 1 159 LEU 5.46 -1.13 1 160 HIS 2.65 -0.39 1 161 GLU 5.28 -0.16 1 162 LEU 2.34 -0.57 1 163 LEU 3.64 -0.64 1 164 ALA 3.61 -0.27 1 165 ALA 3.73 -0.31 1 166 GLU 3.19 0.12 1 167 LEU 4.18 -0.02 1 168 THR 3.02 -0.29 1 169 LYS 2.43 -0.15 1 170 ALA 0.92 0.00 1 171 LEU 5.18 -0.47 1 172 LYS -2.30 -0.19 1 173 THR 2.54 -0.24 1 174 LYS -4.29 0.27 1 175 LEU -2.90 -0.08 1 176 ASP 4.42 -0.61 1 178 SER 1.39 -0.18 1 179 SER 1.53 -0.31 1 180 LEU 0.51 -0.15 1 181 ALA 6.53 -0.46 1 182 TYR 1.47 -1.08 1 183 SER 0.01 -0.09 1 185 LYS 0.52 -0.18 1 186 ASP -0.17 -0.30 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15736_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.26 _LACS_plot.Line_1_terminator_val_y_1 -3.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.41 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.00 _LACS_plot.Line_2_terminator_val_x_2 7.15 _LACS_plot.Line_2_terminator_val_y_2 2.39 _LACS_plot.Y_axis_chem_shift_offset 0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 129 LYS -9.26 -1.62 0 173 THR 2.54 -5.82 0 22 ASP 0.21 -0.70 1 23 ILE 0.13 -0.18 1 24 ASP 0.21 -0.35 1 25 ALA 0.22 -1.55 1 26 THR 2.73 5.00 1 30 ARG 0.20 0.53 1 31 ARG 0.77 -0.86 1 35 ASN -0.04 -1.93 1 37 ARG -0.42 -1.37 1 39 LEU 0.06 -4.33 1 42 ILE 0.04 -1.30 1 43 TRP 0.00 -1.23 1 46 LYS 0.81 -1.38 1 47 LYS 0.72 -1.18 1 50 VAL 0.19 -2.13 1 51 TYR 0.31 -1.12 1 53 MET 2.13 -0.20 1 56 ARG 0.40 1.17 1 61 LEU 0.26 -2.94 1 63 HIS -0.59 0.76 1 66 SER -0.22 -0.37 1 67 LEU -1.96 -2.23 1 68 ASP -2.94 0.74 1 69 GLU 4.60 -0.59 1 70 THR 5.67 3.25 1 71 THR 6.47 2.33 1 72 TYR 5.79 -0.12 1 73 GLU 4.07 -1.44 1 74 ARG 4.13 1.94 1 75 LEU 2.50 0.79 1 76 ALA 4.79 3.61 1 77 GLU 4.36 2.48 1 78 GLU 2.13 2.14 1 79 THR 7.16 6.06 1 80 LEU 4.50 -0.50 1 81 ASP 3.34 1.05 1 82 SER 2.67 4.02 1 83 LEU 2.51 0.69 1 84 ALA 5.30 -0.09 1 85 GLU 2.99 2.48 1 86 PHE 3.87 2.93 1 87 PHE 6.51 1.74 1 88 GLU 4.25 4.49 1 89 ASP 2.00 3.32 1 90 LEU 1.67 -0.42 1 91 ALA 2.98 0.76 1 92 ASP 0.17 1.66 1 93 LYS 0.03 1.71 1 95 TYR -1.69 0.09 1 96 THR -2.60 0.53 1 97 PHE -1.58 -0.33 1 98 GLU 2.75 1.59 1 99 ASP 1.26 0.12 1 100 TYR -0.74 -1.27 1 101 ASP -4.59 -0.09 1 102 VAL -3.06 -3.43 1 103 SER -3.27 0.04 1 104 PHE -5.07 -2.95 1 108 VAL -1.38 -3.93 1 109 LEU -3.82 -3.32 1 110 THR 0.05 -1.26 1 111 VAL -2.44 -2.55 1 112 LYS -1.06 -2.51 1 113 LEU 0.61 -2.59 1 117 LEU -0.38 -0.57 1 119 THR -3.13 -2.28 1 120 TYR -3.38 -1.58 1 121 VAL -1.96 -0.85 1 122 ILE -2.49 -0.83 1 123 ASN -5.33 -1.03 1 124 LYS 0.32 -2.81 1 125 GLN 0.50 -1.13 1 126 THR -1.25 1.71 1 128 ASN 5.45 1.81 1 130 GLN -0.81 2.13 1 131 ILE -3.41 -1.46 1 132 TRP -7.24 -4.36 1 133 LEU -0.96 0.21 1 134 SER -4.62 0.20 1 135 SER -0.01 1.48 1 137 SER -0.77 1.26 1 138 SER -6.26 1.58 1 141 LYS -2.06 -1.82 1 142 ARG -0.35 -1.28 1 143 TYR -4.58 -0.99 1 144 ASP -1.87 -0.43 1 145 TRP -2.81 3.70 1 146 THR -2.76 -3.61 1 148 LYS 0.99 -2.57 1 149 ASN -3.00 -5.30 1 150 TRP -4.63 0.32 1 151 VAL -1.95 -0.93 1 152 TYR 4.50 1.64 1 153 SER 1.91 1.39 1 154 HIS -2.76 -1.04 1 155 ASP 2.36 -2.15 1 157 VAL -2.62 3.48 1 158 SER 2.86 -3.34 1 159 LEU 5.46 2.69 1 160 HIS 2.65 2.16 1 161 GLU 5.28 1.77 1 162 LEU 2.34 2.16 1 163 LEU 3.64 0.69 1 164 ALA 3.61 2.39 1 165 ALA 3.73 4.98 1 166 GLU 3.19 3.47 1 167 LEU 4.18 -1.28 1 168 THR 3.02 0.87 1 169 LYS 2.43 0.63 1 170 ALA 0.92 1.22 1 171 LEU 5.18 0.07 1 172 LYS -2.30 -0.03 1 174 LYS -4.29 -1.66 1 175 LEU -2.90 -1.63 1 176 ASP 4.42 2.11 1 178 SER 1.39 1.51 1 179 SER 1.53 -3.73 1 180 LEU 0.51 -1.41 1 181 ALA 6.53 2.10 1 182 TYR 1.47 0.52 1 183 SER 0.01 -0.57 1 185 LYS 0.52 -0.54 1 186 ASP -0.17 -3.19 1 stop_ save_