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 bmr16444_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.78 _LACS_plot.Line_1_terminator_val_y_1 -3.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.17 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 5.32 _LACS_plot.Y_axis_chem_shift_offset -0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 115 ALA -9.78 -2.78 0 10 LYS 3.44 2.89 1 11 THR 0.34 0.17 1 12 LEU -1.24 0.03 1 13 LYS -3.88 -2.19 1 15 GLU -6.02 -1.96 1 16 THR -0.87 -1.14 1 17 THR -5.42 -1.93 1 18 THR -0.16 0.35 1 19 GLU -2.76 -2.19 1 20 ALA -6.32 -1.68 1 21 VAL 2.12 1.36 1 22 ASP -3.02 -1.68 1 23 ALA 3.69 2.08 1 24 ALA 3.47 2.26 1 25 THR 7.02 5.11 1 26 ALA 3.97 2.41 1 27 GLU 3.62 3.14 1 28 LYS 4.27 3.54 1 29 VAL 5.13 3.82 1 30 PHE 1.05 -1.08 1 31 LYS 5.17 3.73 1 32 GLN 4.23 3.10 1 33 TYR 4.09 3.98 1 34 ALA 4.93 3.76 1 35 ASN 4.05 3.97 1 36 ASP 3.93 2.92 1 37 ASN -0.69 0.61 1 39 VAL -0.46 -0.20 1 40 ASP -3.97 -1.74 1 42 GLU -2.71 -0.94 1 43 TRP -0.74 0.26 1 44 THR -3.66 -1.21 1 45 TYR -3.72 -1.05 1 46 ASP -4.44 -2.38 1 47 ASP 0.95 2.06 1 48 ALA 3.29 2.51 1 49 THR -1.82 -1.35 1 50 LYS 4.25 0.39 1 51 THR -1.78 0.45 1 52 PHE -3.86 -0.50 1 53 THR -1.55 -0.26 1 54 VAL -3.57 -4.05 1 55 THR -1.58 -0.85 1 56 GLU -2.09 -0.03 1 64 HIS -0.32 1.10 1 65 MET -0.26 0.12 1 66 ASP -0.27 -0.18 1 67 VAL 0.39 0.30 1 68 GLU 1.30 1.25 1 70 MET -1.13 0.39 1 71 THR 0.58 1.29 1 72 SER -0.77 0.32 1 73 LEU -4.07 -2.32 1 74 LYS -2.88 -0.99 1 75 VAL -1.74 -1.25 1 76 ASP -5.91 -1.53 1 77 ASN 1.80 0.56 1 78 LEU -2.87 -1.33 1 79 THR -1.93 -0.94 1 80 TYR 3.22 1.38 1 81 ARG 0.77 -0.11 1 82 THR 4.42 2.90 1 83 SER -1.90 -0.87 1 85 ASP 3.40 3.21 1 86 THR 6.14 4.53 1 87 LEU 2.49 2.60 1 88 ARG 5.70 5.02 1 89 ARG 3.96 3.32 1 90 VAL 3.86 3.26 1 91 PHE 5.98 5.16 1 92 GLU 2.06 0.97 1 93 LYS 3.11 1.92 1 94 TYR 0.52 1.10 1 96 ARG 1.64 1.45 1 97 VAL -1.00 -0.46 1 99 ASP -2.86 0.42 1 100 VAL -2.31 -0.41 1 101 TYR -5.19 -2.54 1 102 ILE -0.79 -0.53 1 104 ARG -3.23 -1.40 1 105 ASP -1.38 0.72 1 106 ARG 2.60 2.01 1 107 TYR 1.33 1.17 1 108 THR -0.51 0.03 1 109 LYS 4.32 1.46 1 110 GLU -1.75 -0.45 1 111 SER -0.10 0.01 1 112 ARG -0.30 -0.31 1 114 PHE -6.07 -3.24 1 116 PHE -3.14 -1.29 1 117 VAL -1.82 -0.72 1 118 ARG -2.70 -1.26 1 119 PHE -2.62 -0.08 1 120 HIS 3.42 4.90 1 121 ASP -4.44 -1.30 1 122 LYS 3.70 3.66 1 123 ARG 3.77 2.43 1 124 ASP 3.08 2.65 1 125 ALA 2.56 1.80 1 126 GLU 3.80 3.30 1 127 ASP 3.82 3.05 1 128 ALA 1.07 1.86 1 129 MET 4.25 4.59 1 130 ASP 2.55 2.72 1 131 ALA 0.31 1.59 1 132 MET -0.61 -2.14 1 133 ASP 3.35 3.59 1 135 ALA -1.92 -0.90 1 136 VAL -0.03 -0.60 1 137 LEU -3.44 -0.54 1 138 ASP 2.04 0.85 1 140 ARG -4.65 -2.28 1 141 GLU -0.81 -0.77 1 142 LEU -1.29 -0.01 1 143 ARG -3.10 -1.69 1 144 VAL -2.62 -0.99 1 145 GLN -6.79 -2.18 1 146 MET 1.56 0.59 1 147 ALA -1.37 -0.26 1 148 ARG -0.54 -0.14 1 149 TYR -0.35 -0.07 1 151 ARG -0.50 -0.29 1 154 ASP -0.06 0.04 1 155 SER 0.09 0.06 1 156 HIS 0.01 1.18 1 157 HIS -0.57 0.84 1 158 SER 0.81 1.74 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16444_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.78 _LACS_plot.Line_1_terminator_val_y_1 5.88 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.88 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.83 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 -1.69 _LACS_plot.Y_axis_chem_shift_offset -0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 115 ALA -9.78 7.00 0 10 LYS 3.44 -0.55 1 11 THR 0.34 -0.17 1 12 LEU -1.24 1.27 1 13 LYS -3.88 1.69 1 15 GLU -6.02 4.06 1 16 THR -0.87 -0.27 1 17 THR -5.42 3.49 1 18 THR -0.16 0.51 1 19 GLU -2.76 0.57 1 20 ALA -6.32 4.64 1 21 VAL 2.12 -0.76 1 22 ASP -3.02 1.34 1 23 ALA 3.69 -1.61 1 24 ALA 3.47 -1.21 1 25 THR 7.02 -1.91 1 26 ALA 3.97 -1.56 1 27 GLU 3.62 -0.48 1 28 LYS 4.27 -0.73 1 29 VAL 5.13 -1.31 1 30 PHE 1.05 -2.13 1 31 LYS 5.17 -1.44 1 32 GLN 4.23 -1.13 1 33 TYR 4.09 -0.11 1 34 ALA 4.93 -1.17 1 35 ASN 4.05 -0.08 1 36 ASP 3.93 -1.01 1 37 ASN -0.69 1.30 1 39 VAL -0.46 0.26 1 40 ASP -3.97 2.23 1 42 GLU -2.71 1.77 1 43 TRP -0.74 1.00 1 44 THR -3.66 2.45 1 45 TYR -3.72 2.67 1 46 ASP -4.44 2.06 1 47 ASP 0.95 1.11 1 48 ALA 3.29 -0.78 1 49 THR -1.82 0.47 1 50 LYS 4.25 -3.86 1 51 THR -1.78 2.23 1 52 PHE -3.86 3.36 1 53 THR -1.55 1.29 1 54 VAL -3.57 -0.48 1 55 THR -1.58 0.73 1 56 GLU -2.09 2.06 1 64 HIS -0.32 1.42 1 65 MET -0.26 0.38 1 66 ASP -0.27 0.09 1 67 VAL 0.39 -0.09 1 68 GLU 1.30 -0.05 1 70 MET -1.13 1.52 1 71 THR 0.58 0.71 1 72 SER -0.77 1.09 1 73 LEU -4.07 1.75 1 74 LYS -2.88 1.89 1 75 VAL -1.74 0.49 1 76 ASP -5.91 4.38 1 77 ASN 1.80 -1.24 1 78 LEU -2.87 1.54 1 79 THR -1.93 0.99 1 80 TYR 3.22 -1.84 1 81 ARG 0.77 -0.88 1 82 THR 4.42 -1.52 1 83 SER -1.90 1.03 1 85 ASP 3.40 -0.19 1 86 THR 6.14 -1.61 1 87 LEU 2.49 0.11 1 88 ARG 5.70 -0.68 1 89 ARG 3.96 -0.64 1 90 VAL 3.86 -0.60 1 91 PHE 5.98 -0.82 1 92 GLU 2.06 -1.09 1 93 LYS 3.11 -1.19 1 94 TYR 0.52 0.58 1 96 ARG 1.64 -0.19 1 97 VAL -1.00 0.54 1 99 ASP -2.86 3.28 1 100 VAL -2.31 1.90 1 101 TYR -5.19 2.65 1 102 ILE -0.79 0.26 1 104 ARG -3.23 1.83 1 105 ASP -1.38 2.10 1 106 ARG 2.60 -0.59 1 107 TYR 1.33 -0.16 1 108 THR -0.51 0.54 1 109 LYS 4.32 -2.86 1 110 GLU -1.75 1.30 1 111 SER -0.10 0.11 1 112 ARG -0.30 -0.01 1 114 PHE -6.07 2.83 1 116 PHE -3.14 1.85 1 117 VAL -1.82 1.10 1 118 ARG -2.70 1.44 1 119 PHE -2.62 2.54 1 120 HIS 3.42 1.48 1 121 ASP -4.44 3.14 1 122 LYS 3.70 -0.04 1 123 ARG 3.77 -1.34 1 124 ASP 3.08 -0.43 1 125 ALA 2.56 -0.76 1 126 GLU 3.80 -0.50 1 127 ASP 3.82 -0.77 1 128 ALA 1.07 0.79 1 129 MET 4.25 0.34 1 130 ASP 2.55 0.17 1 131 ALA 0.31 1.28 1 132 MET -0.61 -1.53 1 133 ASP 3.35 0.24 1 135 ALA -1.92 1.02 1 136 VAL -0.03 -0.57 1 137 LEU -3.44 2.90 1 138 ASP 2.04 -1.19 1 140 ARG -4.65 2.37 1 141 GLU -0.81 0.04 1 142 LEU -1.29 1.28 1 143 ARG -3.10 1.41 1 144 VAL -2.62 1.63 1 145 GLN -6.79 4.61 1 146 MET 1.56 -0.97 1 147 ALA -1.37 1.11 1 148 ARG -0.54 0.40 1 149 TYR -0.35 0.28 1 151 ARG -0.50 0.21 1 154 ASP -0.06 0.10 1 155 SER 0.09 -0.03 1 156 HIS 0.01 1.17 1 157 HIS -0.57 1.41 1 158 SER 0.81 0.93 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16444_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.78 _LACS_plot.Line_1_terminator_val_y_1 0.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.20 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 -0.63 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 GLU 3.62 -1.69 0 128 ALA 1.07 -1.57 0 10 LYS 3.44 -0.25 1 11 THR 0.34 0.02 1 12 LEU -1.24 0.11 1 13 LYS -3.88 0.80 1 15 GLU -6.02 1.26 1 16 THR -0.87 0.39 1 17 THR -5.42 1.48 1 18 THR -0.16 0.34 1 19 GLU -2.76 0.85 1 20 ALA -6.32 0.62 1 21 VAL 2.12 0.01 1 22 ASP -3.02 0.13 1 23 ALA 3.69 -0.98 1 24 ALA 3.47 -0.35 1 25 THR 7.02 -0.64 1 26 ALA 3.97 -1.23 1 28 LYS 4.27 -0.58 1 29 VAL 5.13 -0.49 1 30 PHE 1.05 0.17 1 31 LYS 5.17 -0.14 1 32 GLN 4.23 -0.28 1 33 TYR 4.09 -0.27 1 34 ALA 4.93 -0.50 1 35 ASN 4.05 -0.29 1 36 ASP 3.93 -0.24 1 37 ASN -0.69 -0.13 1 39 VAL -0.46 0.04 1 40 ASP -3.97 0.25 1 42 GLU -2.71 0.36 1 43 TRP -0.74 0.72 1 44 THR -3.66 0.49 1 45 TYR -3.72 0.43 1 46 ASP -4.44 -0.04 1 47 ASP 0.95 -0.48 1 48 ALA 3.29 -0.19 1 49 THR -1.82 0.06 1 50 LYS 4.25 -0.12 1 51 THR -1.78 1.16 1 52 PHE -3.86 1.08 1 53 THR -1.55 0.87 1 54 VAL -3.57 0.38 1 55 THR -1.58 0.38 1 56 GLU -2.09 0.17 1 64 HIS -0.32 -0.18 1 65 MET -0.26 -0.14 1 66 ASP -0.27 -0.04 1 67 VAL 0.39 -0.07 1 68 GLU 1.30 -0.23 1 70 MET -1.13 0.20 1 71 THR 0.58 0.19 1 72 SER -0.77 0.88 1 73 LEU -4.07 0.80 1 74 LYS -2.88 0.51 1 75 VAL -1.74 0.66 1 76 ASP -5.91 0.68 1 77 ASN 1.80 -0.24 1 78 LEU -2.87 0.08 1 79 THR -1.93 0.07 1 80 TYR 3.22 -0.22 1 81 ARG 0.77 -0.09 1 82 THR 4.42 -0.28 1 83 SER -1.90 0.09 1 85 ASP 3.40 -0.24 1 86 THR 6.14 -0.42 1 87 LEU 2.49 -0.26 1 88 ARG 5.70 -0.67 1 89 ARG 3.96 -0.24 1 90 VAL 3.86 -0.24 1 91 PHE 5.98 -0.09 1 92 GLU 2.06 0.72 1 93 LYS 3.11 -0.41 1 94 TYR 0.52 -0.22 1 96 ARG 1.64 0.00 1 97 VAL -1.00 -0.36 1 99 ASP -2.86 0.03 1 100 VAL -2.31 0.58 1 101 TYR -5.19 0.53 1 102 ILE -0.79 -0.03 1 104 ARG -3.23 -0.14 1 105 ASP -1.38 -0.18 1 106 ARG 2.60 -0.34 1 107 TYR 1.33 0.13 1 108 THR -0.51 -0.02 1 109 LYS 4.32 -0.32 1 110 GLU -1.75 -0.01 1 111 SER -0.10 -0.15 1 112 ARG -0.30 0.02 1 114 PHE -6.07 1.05 1 115 ALA -9.78 0.53 1 116 PHE -3.14 1.20 1 117 VAL -1.82 0.23 1 118 ARG -2.70 0.93 1 119 PHE -2.62 0.25 1 120 HIS 3.42 -0.31 1 121 ASP -4.44 0.45 1 122 LYS 3.70 -0.43 1 123 ARG 3.77 -0.22 1 124 ASP 3.08 -0.42 1 125 ALA 2.56 -1.46 1 126 GLU 3.80 -0.67 1 127 ASP 3.82 -0.35 1 129 MET 4.25 -0.79 1 130 ASP 2.55 -0.28 1 131 ALA 0.31 -0.15 1 132 MET -0.61 0.32 1 133 ASP 3.35 -0.21 1 135 ALA -1.92 0.05 1 136 VAL -0.03 0.57 1 137 LEU -3.44 0.23 1 138 ASP 2.04 -0.39 1 140 ARG -4.65 0.23 1 141 GLU -0.81 -0.01 1 142 LEU -1.29 0.25 1 143 ARG -3.10 0.86 1 144 VAL -2.62 1.03 1 145 GLN -6.79 0.64 1 146 MET 1.56 0.21 1 147 ALA -1.37 0.15 1 148 ARG -0.54 0.01 1 149 TYR -0.35 -0.04 1 151 ARG -0.50 -0.14 1 154 ASP -0.06 -0.07 1 155 SER 0.09 -0.09 1 156 HIS 0.01 -0.11 1 157 HIS -0.57 -0.04 1 158 SER 0.81 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16444_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.78 _LACS_plot.Line_1_terminator_val_y_1 -4.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.67 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 1.38 _LACS_plot.Y_axis_chem_shift_offset 0.97 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 12 LEU -1.24 -5.11 0 158 SER 0.81 3.08 0 18 THR -0.16 -4.94 0 115 ALA -9.78 -3.56 0 10 LYS 3.44 1.08 1 11 THR 0.34 -1.82 1 13 LYS -3.88 -1.25 1 15 GLU -6.02 -2.22 1 16 THR -0.87 -3.66 1 17 THR -5.42 -1.57 1 19 GLU -2.76 -1.75 1 20 ALA -6.32 -1.20 1 21 VAL 2.12 -2.23 1 22 ASP -3.02 -2.47 1 23 ALA 3.69 0.46 1 24 ALA 3.47 2.07 1 25 THR 7.02 0.40 1 26 ALA 3.97 -1.68 1 27 GLU 3.62 -0.28 1 28 LYS 4.27 2.37 1 29 VAL 5.13 2.56 1 30 PHE 1.05 1.59 1 31 LYS 5.17 1.97 1 32 GLN 4.23 0.11 1 33 TYR 4.09 2.10 1 34 ALA 4.93 0.57 1 35 ASN 4.05 3.16 1 36 ASP 3.93 -0.18 1 37 ASN -0.69 -2.10 1 39 VAL -0.46 -3.58 1 40 ASP -3.97 -2.60 1 42 GLU -2.71 -0.74 1 43 TRP -0.74 -0.12 1 44 THR -3.66 -2.99 1 45 TYR -3.72 -3.69 1 46 ASP -4.44 -2.67 1 47 ASP 0.95 0.72 1 48 ALA 3.29 1.10 1 49 THR -1.82 -0.35 1 50 LYS 4.25 -2.53 1 51 THR -1.78 -0.86 1 52 PHE -3.86 -2.08 1 53 THR -1.55 -2.97 1 54 VAL -3.57 -3.92 1 55 THR -1.58 -1.16 1 56 GLU -2.09 -1.45 1 64 HIS -0.32 -0.12 1 65 MET -0.26 -1.89 1 66 ASP -0.27 -0.73 1 67 VAL 0.39 -0.58 1 68 GLU 1.30 -0.40 1 70 MET -1.13 -1.45 1 71 THR 0.58 -1.42 1 72 SER -0.77 -2.90 1 73 LEU -4.07 -2.41 1 74 LYS -2.88 -2.80 1 75 VAL -1.74 -3.64 1 76 ASP -5.91 -1.95 1 77 ASN 1.80 -1.65 1 78 LEU -2.87 0.68 1 79 THR -1.93 1.79 1 80 TYR 3.22 -0.66 1 81 ARG 0.77 -0.81 1 82 THR 4.42 -2.37 1 83 SER -1.90 -0.72 1 85 ASP 3.40 1.06 1 86 THR 6.14 0.45 1 87 LEU 2.49 -0.15 1 88 ARG 5.70 -0.40 1 89 ARG 3.96 1.94 1 90 VAL 3.86 0.66 1 91 PHE 5.98 0.77 1 92 GLU 2.06 0.13 1 93 LYS 3.11 -0.33 1 94 TYR 0.52 -2.54 1 96 ARG 1.64 -0.36 1 97 VAL -1.00 -0.55 1 99 ASP -2.86 -3.76 1 100 VAL -2.31 -3.65 1 101 TYR -5.19 -3.28 1 102 ILE -0.79 -2.97 1 104 ARG -3.23 -0.79 1 105 ASP -1.38 0.51 1 106 ARG 2.60 -1.18 1 107 TYR 1.33 0.82 1 108 THR -0.51 0.23 1 109 LYS 4.32 -1.95 1 110 GLU -1.75 -1.06 1 111 SER -0.10 -1.20 1 112 ARG -0.30 -0.26 1 114 PHE -6.07 -4.38 1 116 PHE -3.14 -1.48 1 117 VAL -1.82 -2.96 1 118 ARG -2.70 -1.85 1 119 PHE -2.62 -1.14 1 120 HIS 3.42 0.32 1 121 ASP -4.44 -1.13 1 122 LYS 3.70 -0.03 1 123 ARG 3.77 1.17 1 124 ASP 3.08 -0.45 1 125 ALA 2.56 0.18 1 126 GLU 3.80 1.41 1 127 ASP 3.82 1.77 1 128 ALA 1.07 0.05 1 129 MET 4.25 -0.34 1 130 ASP 2.55 0.70 1 131 ALA 0.31 1.21 1 132 MET -0.61 0.35 1 133 ASP 3.35 0.04 1 135 ALA -1.92 -2.90 1 136 VAL -0.03 -0.83 1 137 LEU -3.44 -2.23 1 138 ASP 2.04 -1.66 1 140 ARG -4.65 -2.99 1 141 GLU -0.81 -1.44 1 142 LEU -1.29 -0.63 1 143 ARG -3.10 -1.70 1 144 VAL -2.62 -3.79 1 145 GLN -6.79 -2.47 1 146 MET 1.56 -0.88 1 147 ALA -1.37 -2.08 1 148 ARG -0.54 -1.82 1 149 TYR -0.35 -0.94 1 151 ARG -0.50 -1.69 1 154 ASP -0.06 -0.98 1 155 SER 0.09 -1.26 1 157 HIS -0.57 -0.95 1 stop_ save_