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 bmr30087_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.35 _LACS_plot.Line_1_terminator_val_y_1 -3.05 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.16 _LACS_plot.Line_2_terminator_val_x_2 6.69 _LACS_plot.Line_2_terminator_val_y_2 5.04 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 157 ILE 3.32 -1.15 0 10 VAL -1.91 -0.85 1 12 THR 1.38 0.75 1 14 GLU 3.98 3.62 1 15 LYS 3.78 3.46 1 16 VAL 5.25 3.65 1 17 VAL 5.98 4.17 1 18 ARG 5.45 4.48 1 19 ARG 3.82 1.66 1 20 MET 4.44 5.08 1 21 LEU 3.65 1.61 1 22 GLU 2.31 2.80 1 23 ILE 3.48 2.69 1 24 ALA -0.59 -0.72 1 25 LYS 4.43 0.32 1 26 VAL 3.35 1.76 1 27 SER -4.85 -1.62 1 28 GLN 3.10 2.25 1 29 ASP -0.27 0.45 1 30 ASP -0.27 2.04 1 31 ILE -1.11 -0.07 1 32 VAL -2.95 -1.35 1 33 TYR -4.71 -1.41 1 34 ALA -5.97 -2.54 1 35 LEU 1.67 -0.32 1 39 ASP 0.31 -0.20 1 41 ARG 5.76 4.34 1 42 ILE 4.43 3.38 1 43 ILE 4.03 1.98 1 44 ILE 5.23 4.12 1 45 THR 6.69 5.20 1 46 ALA 5.08 3.33 1 47 ALA 2.91 2.80 1 48 LYS 1.99 2.57 1 49 ASP 1.90 1.63 1 50 PHE 0.19 0.31 1 51 ASN 2.02 1.17 1 52 VAL 2.02 0.32 1 53 LYS 3.26 2.94 1 54 LYS -3.28 0.20 1 55 ALA -5.57 -2.53 1 56 VAL -2.89 -1.63 1 58 VAL -1.97 -0.93 1 59 GLU -7.35 -1.59 1 60 ILE -3.83 -1.45 1 61 ASN -0.72 0.63 1 62 ASP 3.62 3.99 1 63 GLU 3.96 3.17 1 64 ARG 1.69 1.93 1 65 ILE 5.86 4.85 1 66 ARG 4.87 4.09 1 67 GLU 2.49 2.39 1 68 ALA 3.88 2.88 1 69 LEU 3.76 3.14 1 70 ALA 3.81 2.44 1 71 ASN 3.45 2.43 1 72 ILE 5.31 4.92 1 73 GLU 3.27 2.82 1 74 LYS 3.15 2.77 1 75 ASN -1.04 1.29 1 77 VAL -0.52 -2.61 1 78 THR 3.92 2.76 1 80 ARG -0.89 0.94 1 81 ALA -5.03 -2.81 1 82 SER -3.58 -1.44 1 83 ILE -4.48 -3.75 1 84 VAL -3.24 -1.36 1 85 LYS -2.15 -2.13 1 87 ASN -1.11 -0.80 1 88 PHE 2.61 1.76 1 89 PHE 2.87 2.11 1 90 GLU -1.38 -0.14 1 91 VAL -0.75 -0.31 1 92 ASP -0.11 0.06 1 93 ILE -0.13 -0.91 1 94 SER 3.02 3.28 1 95 GLU 0.06 -0.33 1 96 ALA 0.03 1.01 1 97 THR 1.48 0.80 1 98 VAL -5.06 -1.25 1 99 VAL -3.75 -1.83 1 100 THR -3.37 -3.01 1 101 MET -4.18 0.34 1 102 PHE -0.58 -1.27 1 110 MET 1.68 2.00 1 111 LEU -0.05 0.69 1 114 LYS 2.94 3.13 1 115 LEU 3.90 3.02 1 116 GLU 2.16 2.49 1 117 LYS 1.32 2.00 1 118 GLU 0.16 1.84 1 119 LEU -0.60 -1.65 1 120 LYS 1.36 0.28 1 123 THR 5.11 3.42 1 124 ARG 3.17 2.17 1 125 VAL -3.16 -1.49 1 126 VAL -4.53 -2.98 1 127 SER -4.04 -2.39 1 128 HIS 0.62 1.80 1 129 GLU 5.90 4.69 1 130 PHE -2.43 -1.54 1 131 GLU -1.54 -1.40 1 132 ILE 3.26 0.07 1 133 ARG 3.33 2.34 1 135 TRP -6.88 -3.47 1 136 ASN -2.44 -1.11 1 138 LYS 0.66 1.04 1 139 GLU -5.59 -1.05 1 140 VAL -1.25 -0.19 1 141 ILE -5.21 -2.34 1 142 LYS -2.55 -1.84 1 143 VAL -2.77 -1.20 1 144 GLU -0.95 -0.36 1 145 ASP -2.54 -0.22 1 147 ASN 0.92 0.72 1 148 MET -3.10 -0.83 1 149 ASN -1.96 -0.37 1 150 HIS -3.49 -0.24 1 151 THR 1.88 1.22 1 152 VAL -3.03 -1.29 1 153 TYR -4.70 -0.43 1 154 LEU -4.21 -1.48 1 155 TYR -4.87 -1.67 1 156 VAL -2.57 -1.19 1 159 GLU -1.83 -1.13 1 160 HIS 1.15 2.50 1 161 LYS -1.29 -1.04 1 162 ALA -0.08 0.01 1 165 LEU 0.11 0.13 1 166 GLU -0.48 -0.03 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30087_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.35 _LACS_plot.Line_1_terminator_val_y_1 4.30 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.97 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.84 _LACS_plot.Line_2_terminator_val_x_2 6.69 _LACS_plot.Line_2_terminator_val_y_2 -1.65 _LACS_plot.Y_axis_chem_shift_offset -0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 157 ILE 3.32 -4.47 0 10 VAL -1.91 1.06 1 12 THR 1.38 -0.63 1 14 GLU 3.98 -0.36 1 15 LYS 3.78 -0.32 1 16 VAL 5.25 -1.60 1 17 VAL 5.98 -1.81 1 18 ARG 5.45 -0.97 1 19 ARG 3.82 -2.16 1 20 MET 4.44 0.64 1 21 LEU 3.65 -2.04 1 22 GLU 2.31 0.49 1 23 ILE 3.48 -0.79 1 24 ALA -0.59 -0.13 1 25 LYS 4.43 -4.11 1 26 VAL 3.35 -1.59 1 27 SER -4.85 3.23 1 28 GLN 3.10 -0.85 1 29 ASP -0.27 0.72 1 30 ASP -0.27 2.31 1 31 ILE -1.11 1.04 1 32 VAL -2.95 1.60 1 33 TYR -4.71 3.30 1 34 ALA -5.97 3.43 1 35 LEU 1.67 -1.99 1 39 ASP 0.31 -0.51 1 41 ARG 5.76 -1.42 1 42 ILE 4.43 -1.05 1 43 ILE 4.03 -2.05 1 44 ILE 5.23 -1.11 1 45 THR 6.69 -1.49 1 46 ALA 5.08 -1.75 1 47 ALA 2.91 -0.11 1 48 LYS 1.99 0.58 1 49 ASP 1.90 -0.27 1 50 PHE 0.19 0.12 1 51 ASN 2.02 -0.85 1 52 VAL 2.02 -1.70 1 53 LYS 3.26 -0.32 1 54 LYS -3.28 3.48 1 55 ALA -5.57 3.04 1 56 VAL -2.89 1.26 1 58 VAL -1.97 1.04 1 59 GLU -7.35 5.76 1 60 ILE -3.83 2.38 1 61 ASN -0.72 1.35 1 62 ASP 3.62 0.37 1 63 GLU 3.96 -0.79 1 64 ARG 1.69 0.24 1 65 ILE 5.86 -1.01 1 66 ARG 4.87 -0.78 1 67 GLU 2.49 -0.10 1 68 ALA 3.88 -1.00 1 69 LEU 3.76 -0.62 1 70 ALA 3.81 -1.37 1 71 ASN 3.45 -1.02 1 72 ILE 5.31 -0.39 1 73 GLU 3.27 -0.45 1 74 LYS 3.15 -0.38 1 75 ASN -1.04 2.33 1 77 VAL -0.52 -2.09 1 78 THR 3.92 -1.16 1 80 ARG -0.89 1.83 1 81 ALA -5.03 2.22 1 82 SER -3.58 2.14 1 83 ILE -4.48 0.73 1 84 VAL -3.24 1.88 1 85 LYS -2.15 0.02 1 87 ASN -1.11 0.31 1 88 PHE 2.61 -0.85 1 89 PHE 2.87 -0.76 1 90 GLU -1.38 1.24 1 91 VAL -0.75 0.44 1 92 ASP -0.11 0.17 1 93 ILE -0.13 -0.78 1 94 SER 3.02 0.26 1 95 GLU 0.06 -0.39 1 96 ALA 0.03 0.98 1 97 THR 1.48 -0.68 1 98 VAL -5.06 3.81 1 99 VAL -3.75 1.92 1 100 THR -3.37 0.36 1 101 MET -4.18 4.52 1 102 PHE -0.58 -0.69 1 110 MET 1.68 0.32 1 111 LEU -0.05 0.74 1 114 LYS 2.94 0.19 1 115 LEU 3.90 -0.88 1 116 GLU 2.16 0.33 1 117 LYS 1.32 0.68 1 118 GLU 0.16 1.68 1 119 LEU -0.60 -1.05 1 120 LYS 1.36 -1.08 1 123 THR 5.11 -1.69 1 124 ARG 3.17 -1.00 1 125 VAL -3.16 1.67 1 126 VAL -4.53 1.55 1 127 SER -4.04 1.65 1 128 HIS 0.62 1.18 1 129 GLU 5.90 -1.21 1 130 PHE -2.43 0.89 1 131 GLU -1.54 0.14 1 132 ILE 3.26 -3.19 1 133 ARG 3.33 -0.99 1 135 TRP -6.88 3.41 1 136 ASN -2.44 1.33 1 138 LYS 0.66 0.38 1 139 GLU -5.59 4.54 1 140 VAL -1.25 1.06 1 141 ILE -5.21 2.87 1 142 LYS -2.55 0.71 1 143 VAL -2.77 1.57 1 144 GLU -0.95 0.59 1 145 ASP -2.54 2.32 1 147 ASN 0.92 -0.20 1 148 MET -3.10 2.27 1 149 ASN -1.96 1.59 1 150 HIS -3.49 3.25 1 151 THR 1.88 -0.66 1 152 VAL -3.03 1.74 1 153 TYR -4.70 4.27 1 154 LEU -4.21 2.73 1 155 TYR -4.87 3.20 1 156 VAL -2.57 1.38 1 159 GLU -1.83 0.70 1 160 HIS 1.15 1.35 1 161 LYS -1.29 0.25 1 162 ALA -0.08 0.09 1 165 LEU 0.11 0.02 1 166 GLU -0.48 0.45 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30087_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.35 _LACS_plot.Line_1_terminator_val_y_1 0.98 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.36 _LACS_plot.Line_2_terminator_val_x_2 6.69 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 131 GLU -1.54 -1.10 0 10 VAL -1.91 -0.17 1 12 THR 1.38 -0.35 1 14 GLU 3.98 0.26 1 15 LYS 3.78 -0.36 1 16 VAL 5.25 -0.77 1 17 VAL 5.98 -0.44 1 18 ARG 5.45 -0.47 1 19 ARG 3.82 -0.17 1 20 MET 4.44 -0.80 1 21 LEU 3.65 -0.54 1 22 GLU 2.31 -0.21 1 23 ILE 3.48 -0.14 1 24 ALA -0.59 -0.18 1 25 LYS 4.43 -0.38 1 26 VAL 3.35 -0.32 1 27 SER -4.85 0.60 1 28 GLN 3.10 0.13 1 29 ASP -0.27 0.17 1 30 ASP -0.27 0.16 1 31 ILE -1.11 0.71 1 32 VAL -2.95 0.97 1 33 TYR -4.71 1.26 1 34 ALA -5.97 1.16 1 35 LEU 1.67 0.17 1 39 ASP 0.31 -0.33 1 41 ARG 5.76 -0.48 1 42 ILE 4.43 -0.24 1 43 ILE 4.03 -0.33 1 44 ILE 5.23 -0.69 1 45 THR 6.69 -0.29 1 46 ALA 5.08 -0.30 1 47 ALA 2.91 -0.19 1 48 LYS 1.99 -0.14 1 49 ASP 1.90 0.02 1 50 PHE 0.19 -0.12 1 51 ASN 2.02 -0.22 1 52 VAL 2.02 0.16 1 53 LYS 3.26 -0.27 1 54 LYS -3.28 0.27 1 55 ALA -5.57 1.23 1 56 VAL -2.89 0.44 1 58 VAL -1.97 1.06 1 59 GLU -7.35 0.49 1 60 ILE -3.83 0.38 1 61 ASN -0.72 -0.02 1 62 ASP 3.62 -0.35 1 63 GLU 3.96 -0.32 1 64 ARG 1.69 -0.30 1 65 ILE 5.86 -0.78 1 66 ARG 4.87 -0.43 1 67 GLU 2.49 -0.31 1 68 ALA 3.88 -0.20 1 69 LEU 3.76 -0.39 1 70 ALA 3.81 -0.09 1 71 ASN 3.45 -0.15 1 72 ILE 5.31 -0.77 1 73 GLU 3.27 -0.29 1 74 LYS 3.15 -0.17 1 75 ASN -1.04 -0.02 1 77 VAL -0.52 0.70 1 78 THR 3.92 -0.42 1 80 ARG -0.89 0.19 1 81 ALA -5.03 1.42 1 82 SER -3.58 0.17 1 83 ILE -4.48 0.94 1 84 VAL -3.24 0.07 1 85 LYS -2.15 0.91 1 87 ASN -1.11 -0.39 1 89 PHE 2.87 -0.46 1 90 GLU -1.38 0.06 1 91 VAL -0.75 -0.07 1 92 ASP -0.11 0.08 1 93 ILE -0.13 -0.12 1 94 SER 3.02 -0.42 1 95 GLU 0.06 -0.11 1 96 ALA 0.03 -0.44 1 97 THR 1.48 0.63 1 98 VAL -5.06 1.08 1 99 VAL -3.75 1.10 1 100 THR -3.37 1.11 1 101 MET -4.18 0.50 1 102 PHE -0.58 0.52 1 110 MET 1.68 -0.20 1 111 LEU -0.05 -0.07 1 114 LYS 2.94 -0.18 1 115 LEU 3.90 -0.45 1 116 GLU 2.16 -0.44 1 117 LYS 1.32 -0.04 1 118 GLU 0.16 -0.15 1 119 LEU -0.60 0.52 1 120 LYS 1.36 -0.20 1 123 THR 5.11 -0.06 1 124 ARG 3.17 0.79 1 125 VAL -3.16 1.00 1 126 VAL -4.53 1.48 1 127 SER -4.04 0.79 1 128 HIS 0.62 0.01 1 129 GLU 5.90 -0.59 1 130 PHE -2.43 0.23 1 132 ILE 3.26 -0.56 1 133 ARG 3.33 -0.52 1 135 TRP -6.88 0.77 1 136 ASN -2.44 0.43 1 138 LYS 0.66 -0.05 1 139 GLU -5.59 0.20 1 140 VAL -1.25 0.38 1 141 ILE -5.21 0.46 1 142 LYS -2.55 0.83 1 143 VAL -2.77 0.13 1 144 GLU -0.95 0.46 1 145 ASP -2.54 0.15 1 147 ASN 0.92 -0.10 1 148 MET -3.10 0.19 1 149 ASN -1.96 0.40 1 150 HIS -3.49 0.13 1 151 THR 1.88 0.42 1 152 VAL -3.03 0.53 1 153 TYR -4.70 0.10 1 154 LEU -4.21 0.96 1 155 TYR -4.87 0.50 1 156 VAL -2.57 0.63 1 157 ILE 3.32 -0.49 1 159 GLU -1.83 0.29 1 160 HIS 1.15 0.25 1 161 LYS -1.29 0.08 1 162 ALA -0.08 -0.08 1 165 LEU 0.11 -0.07 1 166 GLU -0.48 -0.14 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30087_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.35 _LACS_plot.Line_1_terminator_val_y_1 -2.57 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.34 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.92 _LACS_plot.Line_2_terminator_val_x_2 6.69 _LACS_plot.Line_2_terminator_val_y_2 1.84 _LACS_plot.Y_axis_chem_shift_offset 0.28 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 22 GLU 2.31 5.74 0 10 VAL -1.91 -1.82 1 12 THR 1.38 -0.39 1 14 GLU 3.98 1.40 1 15 LYS 3.78 2.27 1 16 VAL 5.25 0.63 1 17 VAL 5.98 0.89 1 18 ARG 5.45 2.11 1 19 ARG 3.82 2.20 1 20 MET 4.44 -0.09 1 21 LEU 3.65 0.97 1 23 ILE 3.48 0.03 1 24 ALA -0.59 -2.64 1 25 LYS 4.43 -0.77 1 26 VAL 3.35 -1.14 1 27 SER -4.85 0.34 1 28 GLN 3.10 -0.15 1 29 ASP -0.27 -0.24 1 30 ASP -0.27 -2.09 1 31 ILE -1.11 -0.16 1 32 VAL -2.95 -1.74 1 33 TYR -4.71 -0.44 1 34 ALA -5.97 -2.11 1 35 LEU 1.67 -2.40 1 39 ASP 0.31 0.80 1 41 ARG 5.76 2.40 1 42 ILE 4.43 -1.00 1 43 ILE 4.03 0.33 1 44 ILE 5.23 0.97 1 45 THR 6.69 2.32 1 46 ALA 5.08 0.37 1 47 ALA 2.91 0.50 1 48 LYS 1.99 0.45 1 49 ASP 1.90 0.89 1 50 PHE 0.19 -0.99 1 51 ASN 2.02 -0.96 1 52 VAL 2.02 -0.32 1 53 LYS 3.26 0.55 1 54 LYS -3.28 -3.56 1 55 ALA -5.57 -2.99 1 56 VAL -2.89 -1.09 1 58 VAL -1.97 -0.93 1 59 GLU -7.35 -3.81 1 60 ILE -3.83 -1.66 1 61 ASN -0.72 0.50 1 62 ASP 3.62 1.51 1 63 GLU 3.96 2.48 1 64 ARG 1.69 1.90 1 65 ILE 5.86 0.68 1 66 ARG 4.87 3.48 1 67 GLU 2.49 1.89 1 68 ALA 3.88 2.47 1 69 LEU 3.76 2.64 1 70 ALA 3.81 2.63 1 71 ASN 3.45 3.95 1 72 ILE 5.31 0.91 1 73 GLU 3.27 4.07 1 74 LYS 3.15 1.13 1 75 ASN -1.04 -0.38 1 77 VAL -0.52 -1.26 1 78 THR 3.92 0.81 1 80 ARG -0.89 -1.84 1 81 ALA -5.03 -2.40 1 82 SER -3.58 -2.98 1 83 ILE -4.48 -1.18 1 84 VAL -3.24 -2.59 1 85 LYS -2.15 0.10 1 87 ASN -1.11 2.10 1 88 PHE 2.61 -0.52 1 89 PHE 2.87 1.39 1 90 GLU -1.38 -0.47 1 91 VAL -0.75 -1.22 1 92 ASP -0.11 0.70 1 93 ILE -0.13 -1.03 1 94 SER 3.02 1.63 1 95 GLU 0.06 -0.50 1 96 ALA 0.03 -0.59 1 97 THR 1.48 1.00 1 98 VAL -5.06 -1.79 1 99 VAL -3.75 -0.95 1 100 THR -3.37 -0.41 1 101 MET -4.18 -2.96 1 102 PHE -0.58 -0.96 1 110 MET 1.68 1.24 1 111 LEU -0.05 -0.28 1 114 LYS 2.94 1.50 1 115 LEU 3.90 0.53 1 116 GLU 2.16 1.40 1 117 LYS 1.32 1.75 1 118 GLU 0.16 0.28 1 119 LEU -0.60 -0.32 1 120 LYS 1.36 1.22 1 123 THR 5.11 -1.36 1 124 ARG 3.17 -2.35 1 125 VAL -3.16 -1.86 1 126 VAL -4.53 -1.11 1 127 SER -4.04 -0.06 1 128 HIS 0.62 1.46 1 129 GLU 5.90 -0.39 1 130 PHE -2.43 -1.24 1 131 GLU -1.54 -0.54 1 132 ILE 3.26 -1.75 1 133 ARG 3.33 0.68 1 135 TRP -6.88 -0.03 1 136 ASN -2.44 -1.02 1 138 LYS 0.66 0.51 1 139 GLU -5.59 -3.07 1 140 VAL -1.25 -0.69 1 141 ILE -5.21 -2.40 1 142 LYS -2.55 -0.18 1 143 VAL -2.77 -1.68 1 144 GLU -0.95 -0.79 1 145 ASP -2.54 -0.30 1 147 ASN 0.92 -0.93 1 148 MET -3.10 -2.16 1 149 ASN -1.96 -0.38 1 150 HIS -3.49 0.47 1 151 THR 1.88 -1.71 1 152 VAL -3.03 -3.46 1 153 TYR -4.70 -1.78 1 154 LEU -4.21 -3.45 1 155 TYR -4.87 -1.66 1 156 VAL -2.57 0.04 1 157 ILE 3.32 1.61 1 159 GLU -1.83 0.18 1 160 HIS 1.15 0.41 1 161 LYS -1.29 -0.77 1 162 ALA -0.08 -0.45 1 165 LEU 0.11 -0.26 1 166 GLU -0.48 -0.34 1 stop_ save_