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 bmr36117_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.81 _LACS_plot.Line_1_terminator_val_y_1 -2.56 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.31 _LACS_plot.Line_2_terminator_val_x_2 5.43 _LACS_plot.Line_2_terminator_val_y_2 3.83 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 141 THR -5.22 -4.74 0 67 HIS 2.89 4.87 0 18 LEU -4.10 -4.39 0 13 ALA 2.21 2.57 1 14 PHE -8.81 -2.36 1 15 SER -1.96 0.35 1 16 ALA -5.81 -0.78 1 17 ILE 1.44 0.36 1 22 ALA 0.77 1.10 1 23 ILE -1.35 -0.90 1 24 ASP 0.00 -1.03 1 25 VAL 4.20 2.83 1 26 SER 4.00 2.94 1 27 ASP 1.87 1.64 1 28 LEU -0.90 0.61 1 29 ARG 0.15 -0.29 1 31 VAL -3.46 -0.56 1 33 ASP 2.73 2.54 1 34 ASN 1.44 0.18 1 35 GLN -5.57 -1.08 1 36 GLU -3.43 -1.11 1 37 VAL -2.97 -0.89 1 38 PHE -6.02 -2.16 1 43 THR 0.10 0.04 1 44 ASP 1.63 0.87 1 45 GLN -2.97 0.59 1 46 SER -3.75 -0.59 1 47 LEU -5.51 -1.63 1 48 ILE -3.88 -0.74 1 49 VAL -1.47 -0.69 1 50 GLU -6.18 -1.61 1 51 LEU -0.77 -1.10 1 52 LEU -4.35 -1.95 1 53 GLU 0.70 0.62 1 54 LEU 2.29 1.48 1 55 GLN 1.05 -1.60 1 56 ALA 1.53 1.51 1 57 HIS 0.75 1.73 1 58 VAL -4.24 -3.27 1 59 ARG -3.88 -1.53 1 61 GLU 3.14 2.09 1 62 ALA 3.03 1.93 1 63 ALA 3.15 1.77 1 64 ALA 3.77 2.32 1 66 TYR 3.77 3.56 1 68 PHE 2.26 3.07 1 69 GLU 1.77 1.62 1 70 ASP 1.53 1.41 1 71 VAL 3.01 1.74 1 74 VAL 2.60 1.60 1 75 GLN 1.38 0.67 1 77 ALA 0.04 0.27 1 78 ARG -1.14 -0.66 1 79 ALA -2.05 -0.45 1 80 VAL -3.30 -1.74 1 81 HIS -3.26 0.50 1 82 VAL 1.90 1.45 1 83 GLU 0.07 0.93 1 84 SER -2.40 -0.71 1 85 VAL -1.62 -0.57 1 86 GLN -3.57 -0.65 1 88 LEU -3.67 -2.37 1 89 SER 1.04 0.12 1 90 LEU 1.43 1.02 1 91 GLU 3.39 2.94 1 92 ASN -0.53 -0.66 1 93 LEU 0.37 -0.38 1 94 ALA 3.52 2.28 1 95 LEU -0.16 -0.22 1 96 ARG 4.78 3.21 1 98 ARG -1.17 -0.42 1 100 GLN -0.80 0.77 1 101 GLU -3.14 -0.33 1 102 ALA -6.70 -1.54 1 103 TRP -6.39 -0.83 1 104 VAL -4.45 -2.03 1 105 LEU -5.52 -1.11 1 106 SER -4.25 -2.09 1 108 LYS -5.79 -1.71 1 109 GLN -3.81 -1.30 1 110 GLN -1.61 -0.47 1 111 ILE -1.71 -0.78 1 112 ALA -2.05 -0.95 1 113 LYS -0.68 -0.14 1 114 GLU 1.29 0.99 1 115 ASN 1.87 0.97 1 116 GLN 0.45 0.35 1 117 GLN 1.11 1.19 1 118 VAL -0.35 -0.30 1 119 ALA -1.67 -0.68 1 120 LYS -3.03 -1.16 1 121 ASP -0.54 -0.05 1 123 THR -4.83 -0.63 1 124 LEU -3.72 0.78 1 125 HIS -5.27 -2.15 1 127 ALA -4.10 -1.86 1 128 LEU 4.44 2.26 1 133 GLN -2.56 -2.71 1 134 TYR 4.14 1.76 1 135 GLN -3.02 1.12 1 136 THR -3.08 -0.17 1 137 ASP -2.85 -1.08 1 138 LEU -6.71 -2.10 1 139 LEU -2.10 -0.54 1 140 LEU 2.64 0.99 1 142 PHE -0.70 -0.32 1 148 ASP 0.93 0.63 1 149 ASN 1.26 0.78 1 150 ARG 0.66 0.62 1 151 SER 0.41 0.43 1 152 SER 1.30 2.12 1 153 LEU 1.05 0.71 1 156 GLU 0.73 0.71 1 157 ASN 0.41 -0.04 1 158 LEU -0.49 0.02 1 159 SER 0.07 -1.42 1 161 ALA -6.17 -1.91 1 164 SER 4.16 2.85 1 165 LEU 3.86 3.61 1 167 ASP 3.37 2.46 1 168 PHE 4.15 3.43 1 169 GLU 2.81 2.59 1 170 GLN 4.70 3.76 1 171 LEU 5.44 4.32 1 172 VAL 3.95 3.57 1 173 THR -0.12 0.93 1 174 SER 3.13 1.70 1 175 LEU -1.24 0.43 1 176 THR -2.32 -1.21 1 177 LEU -0.78 1.80 1 178 HIS -3.44 -1.79 1 179 ASP 3.81 2.51 1 181 ASN 1.23 -0.11 1 182 ILE 0.42 -0.14 1 183 PHE 0.40 0.28 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36117_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.81 _LACS_plot.Line_1_terminator_val_y_1 6.25 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.30 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.69 _LACS_plot.Line_2_terminator_val_x_2 5.43 _LACS_plot.Line_2_terminator_val_y_2 -1.60 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 141 THR -5.22 0.48 0 67 HIS 2.89 1.98 0 18 LEU -4.10 -0.29 0 13 ALA 2.21 0.36 1 14 PHE -8.81 6.45 1 15 SER -1.96 2.31 1 16 ALA -5.81 5.03 1 17 ILE 1.44 -1.08 1 22 ALA 0.77 0.33 1 23 ILE -1.35 0.45 1 24 ASP 0.00 -1.03 1 25 VAL 4.20 -1.37 1 26 SER 4.00 -1.06 1 27 ASP 1.87 -0.23 1 28 LEU -0.90 1.51 1 29 ARG 0.15 -0.44 1 31 VAL -3.46 2.90 1 33 ASP 2.73 -0.19 1 34 ASN 1.44 -1.26 1 35 GLN -5.57 4.49 1 36 GLU -3.43 2.32 1 37 VAL -2.97 2.08 1 38 PHE -6.02 3.86 1 43 THR 0.10 -0.06 1 44 ASP 1.63 -0.76 1 45 GLN -2.97 3.56 1 46 SER -3.75 3.16 1 47 LEU -5.51 3.88 1 48 ILE -3.88 3.14 1 49 VAL -1.47 0.78 1 50 GLU -6.18 4.57 1 51 LEU -0.77 -0.33 1 52 LEU -4.35 2.40 1 53 GLU 0.70 -0.08 1 54 LEU 2.29 -0.81 1 55 GLN 1.05 -2.65 1 56 ALA 1.53 -0.02 1 57 HIS 0.75 0.98 1 58 VAL -4.24 0.97 1 59 ARG -3.88 2.35 1 61 GLU 3.14 -1.05 1 62 ALA 3.03 -1.10 1 63 ALA 3.15 -1.38 1 64 ALA 3.77 -1.45 1 66 TYR 3.77 -0.21 1 68 PHE 2.26 0.81 1 69 GLU 1.77 -0.15 1 70 ASP 1.53 -0.12 1 71 VAL 3.01 -1.27 1 74 VAL 2.60 -1.00 1 75 GLN 1.38 -0.71 1 77 ALA 0.04 0.23 1 78 ARG -1.14 0.48 1 79 ALA -2.05 1.60 1 80 VAL -3.30 1.56 1 81 HIS -3.26 3.76 1 82 VAL 1.90 -0.45 1 83 GLU 0.07 0.86 1 84 SER -2.40 1.69 1 85 VAL -1.62 1.05 1 86 GLN -3.57 2.92 1 88 LEU -3.67 1.30 1 89 SER 1.04 -0.92 1 90 LEU 1.43 -0.41 1 91 GLU 3.39 -0.45 1 92 ASN -0.53 -0.13 1 93 LEU 0.37 -0.75 1 94 ALA 3.52 -1.24 1 95 LEU -0.16 -0.06 1 96 ARG 4.78 -1.57 1 98 ARG -1.17 0.75 1 100 GLN -0.80 1.57 1 101 GLU -3.14 2.81 1 102 ALA -6.70 5.16 1 103 TRP -6.39 5.56 1 104 VAL -4.45 2.42 1 105 LEU -5.52 4.41 1 106 SER -4.25 2.16 1 108 LYS -5.79 4.08 1 109 GLN -3.81 2.51 1 110 GLN -1.61 1.14 1 111 ILE -1.71 0.93 1 112 ALA -2.05 1.10 1 113 LYS -0.68 0.54 1 114 GLU 1.29 -0.30 1 115 ASN 1.87 -0.90 1 116 GLN 0.45 -0.10 1 117 GLN 1.11 0.08 1 118 VAL -0.35 0.05 1 119 ALA -1.67 0.99 1 120 LYS -3.03 1.87 1 121 ASP -0.54 0.49 1 123 THR -4.83 4.20 1 124 LEU -3.72 4.50 1 125 HIS -5.27 3.12 1 127 ALA -4.10 2.24 1 128 LEU 4.44 -2.18 1 133 GLN -2.56 -0.15 1 134 TYR 4.14 -2.38 1 135 GLN -3.02 4.14 1 136 THR -3.08 2.91 1 137 ASP -2.85 1.77 1 138 LEU -6.71 4.61 1 139 LEU -2.10 1.56 1 140 LEU 2.64 -1.65 1 142 PHE -0.70 0.38 1 148 ASP 0.93 -0.30 1 149 ASN 1.26 -0.48 1 150 ARG 0.66 -0.04 1 151 SER 0.41 0.02 1 152 SER 1.30 0.82 1 153 LEU 1.05 -0.34 1 156 GLU 0.73 -0.02 1 157 ASN 0.41 -0.45 1 158 LEU -0.49 0.51 1 159 SER 0.07 -1.49 1 161 ALA -6.17 4.26 1 164 SER 4.16 -1.31 1 165 LEU 3.86 -0.25 1 167 ASP 3.37 -0.91 1 168 PHE 4.15 -0.72 1 169 GLU 2.81 -0.22 1 170 GLN 4.70 -0.94 1 171 LEU 5.44 -1.12 1 172 VAL 3.95 -0.38 1 173 THR -0.12 1.05 1 174 SER 3.13 -1.43 1 175 LEU -1.24 1.67 1 176 THR -2.32 1.11 1 177 LEU -0.78 2.58 1 178 HIS -3.44 1.65 1 179 ASP 3.81 -1.30 1 181 ASN 1.23 -1.34 1 182 ILE 0.42 -0.56 1 183 PHE 0.40 -0.12 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36117_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.81 _LACS_plot.Line_1_terminator_val_y_1 1.31 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.31 _LACS_plot.Line_2_terminator_val_x_2 5.43 _LACS_plot.Line_2_terminator_val_y_2 -0.75 _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 61 GLU 3.14 -2.09 0 13 ALA 2.21 -0.20 1 14 PHE -8.81 1.29 1 15 SER -1.96 0.81 1 16 ALA -5.81 0.12 1 17 ILE 1.44 -0.10 1 18 LEU -4.10 -0.02 1 22 ALA 0.77 0.09 1 23 ILE -1.35 0.13 1 24 ASP 0.00 -0.26 1 25 VAL 4.20 -0.50 1 26 SER 4.00 0.25 1 27 ASP 1.87 -0.02 1 28 LEU -0.90 0.02 1 31 VAL -3.46 -0.03 1 33 ASP 2.73 -0.16 1 34 ASN 1.44 0.06 1 35 GLN -5.57 1.44 1 36 GLU -3.43 0.15 1 37 VAL -2.97 0.70 1 38 PHE -6.02 1.26 1 43 THR 0.10 -0.18 1 44 ASP 1.63 -0.01 1 45 GLN -2.97 0.24 1 46 SER -3.75 1.35 1 47 LEU -5.51 1.46 1 48 ILE -3.88 1.11 1 49 VAL -1.47 0.67 1 50 GLU -6.18 1.18 1 51 LEU -0.77 0.15 1 52 LEU -4.35 0.55 1 53 GLU 0.70 -0.06 1 54 LEU 2.29 -0.53 1 55 GLN 1.05 -0.02 1 56 ALA 1.53 -0.49 1 57 HIS 0.75 -0.35 1 58 VAL -4.24 0.26 1 59 ARG -3.88 0.02 1 62 ALA 3.03 -0.50 1 63 ALA 3.15 -0.58 1 64 ALA 3.77 -0.41 1 66 TYR 3.77 -0.56 1 67 HIS 2.89 -0.53 1 68 PHE 2.26 -0.31 1 69 GLU 1.77 -0.70 1 70 ASP 1.53 -0.31 1 71 VAL 3.01 -0.29 1 75 GLN 1.38 -0.17 1 77 ALA 0.04 -0.01 1 78 ARG -1.14 -0.01 1 79 ALA -2.05 0.05 1 80 VAL -3.30 0.70 1 81 HIS -3.26 0.20 1 82 VAL 1.90 -0.57 1 83 GLU 0.07 -0.07 1 84 SER -2.40 0.16 1 85 VAL -1.62 0.83 1 86 GLN -3.57 0.64 1 88 LEU -3.67 0.04 1 89 SER 1.04 -0.33 1 90 LEU 1.43 -0.34 1 91 GLU 3.39 -0.56 1 92 ASN -0.53 0.01 1 93 LEU 0.37 0.09 1 94 ALA 3.52 -0.08 1 96 ARG 4.78 -0.39 1 98 ARG -1.17 0.09 1 100 GLN -0.80 0.11 1 101 GLU -3.14 0.03 1 102 ALA -6.70 1.44 1 103 TRP -6.39 0.25 1 104 VAL -4.45 1.38 1 105 LEU -5.52 0.99 1 106 SER -4.25 0.76 1 108 LYS -5.79 1.21 1 109 GLN -3.81 0.58 1 110 GLN -1.61 0.65 1 111 ILE -1.71 0.16 1 112 ALA -2.05 0.22 1 113 LYS -0.68 -0.02 1 114 GLU 1.29 -0.27 1 115 ASN 1.87 -0.29 1 117 GLN 1.11 -0.14 1 118 VAL -0.35 -0.04 1 119 ALA -1.67 0.05 1 120 LYS -3.03 0.12 1 121 ASP -0.54 0.35 1 123 THR -4.83 0.92 1 124 LEU -3.72 0.54 1 125 HIS -5.27 1.55 1 127 ALA -4.10 0.91 1 128 LEU 4.44 -0.31 1 133 GLN -2.56 0.32 1 134 TYR 4.14 -0.74 1 135 GLN -3.02 0.77 1 136 THR -3.08 0.58 1 137 ASP -2.85 0.61 1 138 LEU -6.71 1.08 1 139 LEU -2.10 1.53 1 140 LEU 2.64 0.95 1 141 THR -5.22 1.22 1 142 PHE -0.70 -0.08 1 148 ASP 0.93 -0.11 1 149 ASN 1.26 -0.06 1 150 ARG 0.66 -0.08 1 151 SER 0.41 -0.06 1 152 SER 1.05 -0.16 1 156 GLU 0.73 -0.15 1 157 ASN 0.41 0.01 1 158 LEU -6.17 0.63 1 164 SER 4.16 -0.32 1 165 LEU 3.86 -0.40 1 167 ASP 3.37 -0.63 1 168 PHE 4.15 -0.90 1 169 GLU 2.81 -0.31 1 170 GLN 4.70 -0.38 1 171 LEU 5.44 -1.00 1 172 VAL 3.95 -0.38 1 173 THR -0.12 -0.13 1 174 SER 3.13 0.40 1 175 LEU -1.24 -0.10 1 176 THR -2.32 -0.50 1 177 LEU -0.78 -0.09 1 178 HIS -3.44 0.19 1 179 ASP 3.81 -0.30 1 181 ASN 1.23 -0.20 1 182 ILE 0.42 0.03 1 183 PHE 0.40 0.00 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36117_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.81 _LACS_plot.Line_1_terminator_val_y_1 -3.56 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.28 _LACS_plot.Line_2_terminator_val_x_2 5.43 _LACS_plot.Line_2_terminator_val_y_2 1.61 _LACS_plot.Y_axis_chem_shift_offset 0.48 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 PHE -8.81 -0.23 0 13 ALA 2.21 -0.02 1 15 SER -1.96 -2.61 1 16 ALA -5.81 -2.90 1 17 ILE 1.44 -1.41 1 22 ALA 0.77 -0.96 1 23 ILE -1.35 -0.67 1 24 ASP 0.00 1.07 1 25 VAL 4.20 0.94 1 26 SER 4.00 1.37 1 27 ASP 1.87 0.22 1 28 LEU -0.90 -0.83 1 33 ASP 2.73 0.06 1 34 ASN 1.44 -2.06 1 35 GLN -5.57 -1.28 1 36 GLU -3.43 -1.98 1 37 VAL -2.97 -3.20 1 43 THR 0.10 -0.24 1 44 ASP 1.63 -0.53 1 45 GLN -2.97 -0.75 1 46 SER -3.75 -1.74 1 47 LEU -5.51 -2.89 1 48 ILE -3.88 -0.80 1 49 VAL -1.47 -1.79 1 50 GLU -6.18 -2.64 1 51 LEU -0.77 -1.80 1 52 LEU -4.35 -0.79 1 53 GLU 0.70 0.03 1 54 LEU 2.29 -0.48 1 55 GLN 1.05 -0.95 1 56 ALA 1.53 -0.41 1 57 HIS 0.75 -0.09 1 58 VAL -4.24 -2.13 1 59 ARG -3.88 -0.03 1 61 GLU 3.14 0.78 1 62 ALA 3.03 2.73 1 63 ALA 3.15 0.29 1 64 ALA 3.77 2.44 1 66 TYR 3.77 1.86 1 67 HIS 2.89 2.97 1 68 PHE 2.26 0.77 1 69 GLU 1.77 1.06 1 70 ASP 1.53 0.98 1 71 VAL 3.01 1.14 1 75 GLN 1.38 0.42 1 77 ALA 0.04 -0.20 1 78 ARG -1.14 -0.98 1 79 ALA -2.05 -1.68 1 81 HIS -3.26 -0.35 1 82 VAL 1.90 -1.21 1 83 GLU 0.07 -0.19 1 84 SER -2.40 -2.47 1 85 VAL -1.62 -2.05 1 88 LEU -3.67 -2.07 1 89 SER 1.04 1.07 1 90 LEU 1.43 1.21 1 91 GLU 3.39 0.29 1 92 ASN -0.53 -0.80 1 93 LEU 0.37 0.52 1 94 ALA 3.52 2.99 1 95 LEU -0.16 -1.27 1 98 ARG -1.17 -1.27 1 100 GLN -0.80 -1.06 1 101 GLU -3.14 -4.59 1 102 ALA -6.70 -2.54 1 103 TRP -6.39 -1.82 1 104 VAL -4.45 -2.96 1 105 LEU -5.52 -2.38 1 106 SER -4.25 -0.26 1 108 LYS -5.79 -1.16 1 109 GLN -3.81 -1.82 1 110 GLN -1.61 -0.76 1 111 ILE -1.71 -1.34 1 112 ALA -2.05 -1.11 1 113 LYS -0.68 -0.16 1 114 GLU 1.29 -0.15 1 115 ASN 1.87 -0.39 1 117 GLN 1.11 -0.08 1 118 VAL -0.35 -1.28 1 119 ALA -1.67 -1.12 1 120 LYS -3.03 -1.79 1 121 ASP -0.54 -0.93 1 123 THR -4.83 -2.53 1 124 LEU -3.72 0.18 1 125 HIS -5.27 -3.71 1 127 ALA -4.10 -3.25 1 128 LEU 4.44 -0.52 1 133 GLN -2.56 -0.18 1 134 TYR 4.14 -0.70 1 135 GLN -3.02 -3.56 1 136 THR -3.08 -3.42 1 137 ASP -2.85 -3.65 1 138 LEU -6.71 -1.41 1 139 LEU -2.10 -1.53 1 140 LEU 2.64 -2.39 1 141 THR -5.22 -2.23 1 142 PHE -0.70 -0.11 1 148 ASP 0.93 0.50 1 149 ASN 1.26 0.53 1 150 ARG 0.66 0.22 1 151 SER 0.41 -0.23 1 152 SER 1.05 -0.20 1 156 GLU 0.73 -0.35 1 157 ASN 0.41 -0.71 1 158 LEU -6.17 0.73 1 164 SER 4.16 1.57 1 165 LEU 3.86 2.61 1 167 ASP 3.37 0.14 1 168 PHE 4.15 2.09 1 169 GLU 2.81 2.34 1 170 GLN 4.70 -1.79 1 171 LEU 5.44 1.01 1 172 VAL 3.95 1.46 1 173 THR -0.12 1.00 1 174 SER 3.13 -2.49 1 175 LEU -1.24 -2.35 1 176 THR -2.32 -3.29 1 177 LEU 3.81 1.57 1 181 ASN 1.23 -1.95 1 182 ILE 0.42 0.17 1 183 PHE 0.40 0.13 1 stop_ save_