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 bmr18411_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.16 _LACS_plot.Line_1_terminator_val_y_1 -2.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.32 _LACS_plot.Line_2_terminator_val_x_2 8.68 _LACS_plot.Line_2_terminator_val_y_2 6.73 _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 52 MET 8.68 9.08 0 94 TYR 1.38 -2.72 0 11 GLU -3.06 -1.49 1 12 MET 1.23 -0.92 1 13 ALA 0.16 0.18 1 15 ASP -1.08 -0.57 1 16 PHE -1.94 -0.98 1 17 THR -0.82 0.26 1 18 ILE -7.16 -1.98 1 19 THR 1.03 0.52 1 20 LEU -0.73 -0.91 1 21 THR 4.46 3.19 1 22 ASP -0.38 -1.03 1 24 LYS 0.69 0.86 1 25 GLN -3.35 -1.13 1 26 VAL -4.12 -1.06 1 27 THR -2.59 -1.73 1 28 LEU 7.16 4.16 1 29 SER 5.31 2.60 1 30 SER 2.99 2.36 1 31 LEU -0.18 -1.30 1 32 ARG 2.99 1.59 1 34 LYS -2.43 -1.41 1 35 VAL 0.79 0.91 1 36 VAL -4.82 -2.12 1 37 MET -4.79 -1.74 1 38 LEU -3.46 -2.96 1 39 GLN -1.01 -1.68 1 40 PHE 2.01 1.67 1 41 THR -3.44 -2.35 1 42 ALA -1.65 -0.05 1 43 SER 2.66 1.90 1 44 TRP -3.94 -4.09 1 47 VAL 5.85 4.46 1 49 ARG 4.15 3.84 1 50 LYS 2.30 2.00 1 51 GLU 1.23 1.15 1 54 PHE 4.78 3.55 1 55 ILE 6.93 5.58 1 56 GLU 3.27 3.01 1 57 LYS 2.94 3.71 1 58 ASP 0.93 1.92 1 59 ILE 1.06 2.66 1 60 TRP 1.83 3.14 1 61 LEU 3.83 2.47 1 62 LYS 1.92 0.47 1 63 HIS -3.10 1.13 1 64 LYS 7.33 2.97 1 65 ASP 0.54 0.00 1 66 ASN -0.45 -0.30 1 67 ALA 2.10 1.55 1 68 ASP 0.21 0.00 1 69 PHE -5.41 -1.51 1 70 ALA -5.10 -0.93 1 71 LEU -5.97 -1.75 1 72 ILE -4.41 -0.86 1 74 ILE 1.97 0.56 1 75 ASP -2.35 -1.78 1 76 ARG 1.05 2.88 1 77 ASP 0.50 1.94 1 78 GLU -3.62 0.02 1 80 LEU 4.49 4.09 1 81 GLU 5.13 3.95 1 82 LYS 2.24 2.05 1 83 VAL 6.26 4.86 1 84 LEU 3.27 2.88 1 85 ALA 3.58 2.45 1 86 PHE -0.70 -1.05 1 87 ALA 4.18 2.68 1 88 LYS 3.49 2.86 1 89 SER 3.31 2.84 1 90 THR 0.37 1.13 1 92 VAL -0.94 -1.50 1 93 THR -1.03 -0.52 1 96 LEU -5.48 -2.31 1 98 LEU -1.81 -0.64 1 99 ASP -2.31 -1.14 1 102 ALA 1.03 0.19 1 103 ASP 3.47 3.74 1 104 ILE 7.47 5.42 1 105 PHE 6.50 5.25 1 106 ALA 0.18 0.17 1 107 LYS 1.84 1.78 1 108 TYR -0.80 1.37 1 109 ALA -5.04 -2.22 1 110 LEU 0.17 0.06 1 111 ARG 5.02 4.54 1 112 ASP -0.40 -1.37 1 113 ALA -1.98 -0.52 1 115 ILE -1.16 -0.31 1 116 THR 1.92 1.15 1 117 ARG -0.58 0.47 1 118 ASN -4.33 -1.34 1 119 VAL -4.38 -1.39 1 120 LEU -5.35 -1.54 1 121 ILE -3.50 -0.65 1 122 ASP -2.14 -1.76 1 123 ARG 2.36 2.24 1 124 GLU -1.08 -0.44 1 126 LYS -1.28 -0.81 1 127 ILE 2.79 2.10 1 128 VAL -1.77 -0.67 1 129 LYS -2.58 1.12 1 130 LEU -3.83 -1.53 1 131 THR -1.89 -0.77 1 132 ARG -2.54 -0.41 1 133 LEU 1.88 1.10 1 134 TYR -0.90 -0.75 1 135 ASN -2.73 -1.11 1 136 GLU 5.00 4.45 1 137 GLU 3.82 3.20 1 138 GLU 2.37 2.53 1 139 PHE 5.01 4.99 1 140 ALA 4.08 2.70 1 141 SER 4.10 2.99 1 142 LEU 4.41 3.66 1 143 VAL 5.21 4.66 1 144 GLN 0.38 3.89 1 145 GLN 5.38 3.57 1 146 ILE 6.32 5.80 1 147 ASN 4.09 3.25 1 148 GLU 3.07 2.74 1 149 MET 1.25 3.64 1 150 LEU 1.59 0.72 1 151 LYS 1.47 1.29 1 152 GLU -0.02 0.47 1 158 HIS -0.80 1.23 1 159 HIS 0.70 2.82 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18411_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.16 _LACS_plot.Line_1_terminator_val_y_1 4.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.68 _LACS_plot.Line_2_terminator_val_x_2 8.68 _LACS_plot.Line_2_terminator_val_y_2 -1.95 _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 52 MET 8.68 0.40 0 94 TYR 1.38 -4.10 0 11 GLU -3.06 1.57 1 12 MET 1.23 -2.15 1 13 ALA 0.16 0.02 1 15 ASP -1.08 0.51 1 16 PHE -1.94 0.96 1 17 THR -0.82 1.08 1 18 ILE -7.16 5.18 1 19 THR 1.03 -0.51 1 20 LEU -0.73 -0.18 1 21 THR 4.46 -1.27 1 22 ASP -0.38 -0.65 1 24 LYS 0.69 0.17 1 25 GLN -3.35 2.22 1 26 VAL -4.12 3.06 1 27 THR -2.59 0.86 1 28 LEU 7.16 -3.00 1 29 SER 5.31 -2.71 1 30 SER 2.99 -0.63 1 31 LEU -0.18 -1.12 1 32 ARG 2.99 -1.40 1 34 LYS -2.43 1.02 1 35 VAL 0.79 0.12 1 36 VAL -4.82 2.70 1 37 MET -4.79 3.05 1 38 LEU -3.46 0.50 1 39 GLN -1.01 -0.67 1 40 PHE 2.01 -0.34 1 41 THR -3.44 1.09 1 42 ALA -1.65 1.60 1 43 SER 2.66 -0.76 1 44 TRP -3.94 -0.15 1 47 VAL 5.85 -1.39 1 49 ARG 4.15 -0.31 1 50 LYS 2.30 -0.30 1 51 GLU 1.23 -0.08 1 54 PHE 4.78 -1.23 1 55 ILE 6.93 -1.35 1 56 GLU 3.27 -0.26 1 57 LYS 2.94 0.77 1 58 ASP 0.93 0.99 1 59 ILE 1.06 1.60 1 60 TRP 1.83 1.31 1 61 LEU 3.83 -1.36 1 62 LYS 1.92 -1.45 1 63 HIS -3.10 4.23 1 64 LYS 7.33 -4.36 1 65 ASP 0.54 -0.54 1 66 ASN -0.45 0.15 1 67 ALA 2.10 -0.55 1 68 ASP 0.21 -0.21 1 69 PHE -5.41 3.90 1 70 ALA -5.10 4.17 1 71 LEU -5.97 4.22 1 72 ILE -4.41 3.55 1 74 ILE 1.97 -1.41 1 75 ASP -2.35 0.57 1 76 ARG 1.05 1.83 1 77 ASP 0.50 1.44 1 78 GLU -3.62 3.64 1 80 LEU 4.49 -0.40 1 81 GLU 5.13 -1.18 1 82 LYS 2.24 -0.19 1 83 VAL 6.26 -1.40 1 84 LEU 3.27 -0.39 1 85 ALA 3.58 -1.13 1 86 PHE -0.70 -0.35 1 87 ALA 4.18 -1.50 1 88 LYS 3.49 -0.63 1 89 SER 3.31 -0.47 1 90 THR 0.37 0.76 1 92 VAL -0.94 -0.56 1 93 THR -1.03 0.51 1 96 LEU -5.48 3.17 1 98 LEU -1.81 1.17 1 99 ASP -2.31 1.17 1 102 ALA 1.03 -0.84 1 103 ASP 3.47 0.27 1 104 ILE 7.47 -2.05 1 105 PHE 6.50 -1.25 1 106 ALA 0.18 -0.01 1 107 LYS 1.84 -0.06 1 108 TYR -0.80 2.17 1 109 ALA -5.04 2.82 1 110 LEU 0.17 -0.11 1 111 ARG 5.02 -0.48 1 112 ASP -0.40 -0.97 1 113 ALA -1.98 1.46 1 115 ILE -1.16 0.85 1 116 THR 1.92 -0.77 1 117 ARG -0.58 1.05 1 118 ASN -4.33 2.99 1 119 VAL -4.38 2.99 1 120 LEU -5.35 3.81 1 121 ILE -3.50 2.85 1 122 ASP -2.14 0.38 1 123 ARG 2.36 -0.12 1 124 GLU -1.08 0.64 1 126 LYS -1.28 0.47 1 127 ILE 2.79 -0.69 1 128 VAL -1.77 1.10 1 129 LYS -2.58 3.70 1 130 LEU -3.83 2.30 1 131 THR -1.89 1.12 1 132 ARG -2.54 2.13 1 133 LEU 1.88 -0.78 1 134 TYR -0.90 0.15 1 135 ASN -2.73 1.62 1 136 GLU 5.00 -0.55 1 137 GLU 3.82 -0.62 1 138 GLU 2.37 0.16 1 139 PHE 5.01 -0.02 1 140 ALA 4.08 -1.38 1 141 SER 4.10 -1.11 1 142 LEU 4.41 -0.75 1 143 VAL 5.21 -0.55 1 144 GLN 0.38 3.51 1 145 GLN 5.38 -1.81 1 146 ILE 6.32 -0.52 1 147 ASN 4.09 -0.84 1 148 GLU 3.07 -0.33 1 149 MET 1.25 2.39 1 150 LEU 1.59 -0.87 1 151 LYS 1.47 -0.18 1 152 GLU -0.02 0.49 1 158 HIS -0.80 2.03 1 159 HIS 0.70 2.12 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18411_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.16 _LACS_plot.Line_1_terminator_val_y_1 0.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.33 _LACS_plot.Line_2_terminator_val_x_2 8.68 _LACS_plot.Line_2_terminator_val_y_2 -0.88 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 SER 2.66 -2.93 0 11 GLU -3.06 0.04 1 12 MET 1.23 0.11 1 13 ALA 0.16 -0.33 1 15 ASP -1.08 0.06 1 16 PHE -1.94 0.25 1 17 THR -0.82 0.89 1 18 ILE -7.16 0.83 1 19 THR 1.03 0.47 1 20 LEU -0.73 0.74 1 21 THR 4.46 -0.52 1 22 ASP -0.38 -0.05 1 24 LYS 0.69 -0.05 1 25 GLN -3.35 1.22 1 26 VAL -4.12 0.35 1 27 THR -2.59 1.09 1 28 LEU 7.16 -0.73 1 29 SER 5.31 -0.47 1 30 SER 2.99 0.01 1 31 LEU -0.18 -0.08 1 32 ARG 2.99 0.07 1 34 LYS -2.43 0.29 1 35 VAL 0.79 -0.10 1 36 VAL -4.82 0.74 1 37 MET -4.79 0.90 1 38 LEU -3.46 0.76 1 39 GLN -1.01 1.03 1 40 PHE 2.01 0.56 1 41 THR -3.44 0.92 1 42 ALA -1.65 -0.16 1 44 TRP -3.94 -0.16 1 47 VAL 5.85 -0.32 1 49 ARG 4.15 -0.44 1 50 LYS 2.30 -0.22 1 51 GLU 1.23 -0.90 1 52 MET 8.68 -0.76 1 54 PHE 4.78 -0.25 1 55 ILE 6.93 -0.42 1 56 GLU 3.27 0.23 1 57 LYS 2.94 -0.15 1 58 ASP 0.93 0.20 1 59 ILE 1.06 0.10 1 60 TRP 1.83 0.07 1 61 LEU 3.83 -0.77 1 62 LYS 1.92 -0.43 1 63 HIS -3.10 0.21 1 64 LYS 7.33 -0.81 1 65 ASP 0.54 0.07 1 66 ASN -0.45 -0.08 1 67 ALA 2.10 -0.03 1 68 ASP 0.21 0.18 1 69 PHE -5.41 1.12 1 70 ALA -5.10 0.00 1 71 LEU -5.97 0.78 1 72 ILE -4.41 0.17 1 74 ILE 1.97 -0.30 1 75 ASP -2.35 0.57 1 76 ARG 1.05 0.01 1 77 ASP 0.50 -0.17 1 78 GLU -3.62 0.43 1 80 LEU 4.49 -0.41 1 81 GLU 5.13 -0.35 1 82 LYS 2.24 -0.14 1 83 VAL 6.26 -0.57 1 84 LEU 3.27 -0.31 1 85 ALA 3.58 -0.12 1 86 PHE -0.70 0.29 1 87 ALA 4.18 -0.84 1 88 LYS 3.49 -0.29 1 89 SER 3.31 -0.20 1 90 THR 0.37 -0.06 1 92 VAL -0.94 0.19 1 93 THR -1.03 0.11 1 94 TYR 1.38 -1.10 1 96 LEU -5.48 0.80 1 98 LEU -1.81 0.53 1 99 ASP -2.31 0.47 1 102 ALA 1.03 0.06 1 103 ASP 3.47 -0.20 1 104 ILE 7.47 -0.49 1 105 PHE 6.50 -0.97 1 106 ALA 0.18 0.61 1 107 LYS 1.84 -0.18 1 108 TYR -0.80 -0.24 1 109 ALA -5.04 0.44 1 110 LEU 0.17 -0.20 1 111 ARG 5.02 -0.42 1 112 ASP -0.40 0.02 1 113 ALA -1.98 0.03 1 115 ILE -1.16 -0.05 1 116 THR 1.92 -0.25 1 117 ARG -0.58 0.66 1 118 ASN -4.33 1.39 1 119 VAL -4.38 0.65 1 120 LEU -5.35 1.01 1 121 ILE -3.50 0.63 1 122 ASP -2.14 -0.13 1 123 ARG 2.36 -0.15 1 124 GLU -1.08 -0.04 1 126 LYS -1.28 0.33 1 127 ILE 2.79 -0.12 1 128 VAL -1.77 0.58 1 129 LYS -2.58 0.04 1 130 LEU -3.83 0.80 1 131 THR -1.89 0.79 1 132 ARG -2.54 0.81 1 133 LEU 1.88 -0.04 1 134 TYR -0.90 0.41 1 135 ASN -2.73 -0.32 1 136 GLU 5.00 -0.66 1 137 GLU 3.82 -0.17 1 138 GLU 2.37 -0.16 1 139 PHE 5.01 -0.45 1 140 ALA 4.08 -0.22 1 141 SER 4.10 -0.20 1 142 LEU 4.41 -0.43 1 143 VAL 5.21 -0.95 1 144 GLN 0.38 -0.31 1 145 GLN 5.38 -0.31 1 146 ILE 6.32 -0.82 1 147 ASN 4.09 -0.54 1 148 GLU 3.07 -0.38 1 149 MET 1.25 -0.34 1 150 LEU 1.59 -0.09 1 151 LYS 1.47 -0.14 1 152 GLU -0.02 -0.09 1 158 HIS -0.80 -0.12 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18411_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.16 _LACS_plot.Line_1_terminator_val_y_1 -2.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.59 _LACS_plot.Line_2_terminator_val_x_2 8.68 _LACS_plot.Line_2_terminator_val_y_2 3.30 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 70 ALA -5.10 -5.86 0 52 MET 8.68 -0.25 0 159 HIS 0.70 5.71 0 11 GLU -3.06 0.13 1 12 MET 1.23 0.86 1 13 ALA 0.16 0.09 1 15 ASP -1.08 -0.23 1 16 PHE -1.94 -2.77 1 17 THR -0.82 -1.98 1 18 ILE -7.16 -4.09 1 19 THR 1.03 -0.60 1 20 LEU -0.73 3.42 1 21 THR 4.46 0.02 1 22 ASP -0.38 1.47 1 24 LYS 0.69 -1.25 1 25 GLN -3.35 0.63 1 26 VAL -4.12 -1.91 1 27 THR -2.59 1.63 1 28 LEU 7.16 2.49 1 29 SER 5.31 3.16 1 30 SER 2.99 0.50 1 31 LEU -0.18 -1.89 1 32 ARG 2.99 1.29 1 34 LYS -2.43 -1.25 1 35 VAL 0.79 -1.60 1 36 VAL -4.82 -1.68 1 37 MET -4.79 -2.83 1 38 LEU -3.46 -1.77 1 39 GLN -1.01 -0.30 1 40 PHE 2.01 -0.37 1 41 THR -3.44 -3.91 1 42 ALA -1.65 -0.18 1 43 SER 2.66 0.24 1 44 TRP -3.94 0.20 1 49 ARG 4.15 1.57 1 50 LYS 2.30 1.12 1 51 GLU 1.23 2.59 1 54 PHE 4.78 2.48 1 55 ILE 6.93 2.60 1 56 GLU 3.27 0.43 1 57 LYS 2.94 1.23 1 58 ASP 0.93 0.21 1 59 ILE 1.06 -0.03 1 60 TRP 1.83 1.33 1 61 LEU 3.83 1.87 1 62 LYS 1.92 1.51 1 63 HIS -3.10 2.96 1 64 LYS 7.33 0.47 1 65 ASP 0.54 -1.11 1 66 ASN -0.45 0.85 1 67 ALA 2.10 0.09 1 68 ASP 0.21 -2.99 1 69 PHE -5.41 -1.94 1 71 LEU -5.97 -2.76 1 72 ILE -4.41 -1.02 1 74 ILE 1.97 -1.61 1 75 ASP -2.35 -0.60 1 76 ARG 1.05 -1.74 1 77 ASP 0.50 -2.33 1 78 GLU -3.62 -0.68 1 80 LEU 4.49 0.25 1 81 GLU 5.13 3.44 1 82 LYS 2.24 2.63 1 83 VAL 6.26 2.03 1 84 LEU 3.27 3.05 1 85 ALA 3.58 2.45 1 86 PHE -0.70 3.21 1 87 ALA 4.18 2.00 1 88 LYS 3.49 2.96 1 89 SER 3.31 2.40 1 90 THR 0.37 1.37 1 92 VAL -0.94 2.07 1 93 THR -1.03 0.42 1 94 TYR 1.38 -3.24 1 96 LEU -5.48 -1.53 1 98 LEU -1.81 -1.47 1 99 ASP -2.31 0.07 1 102 ALA 1.03 -1.84 1 103 ASP 3.47 2.72 1 104 ILE 7.47 2.92 1 105 PHE 6.50 2.02 1 106 ALA 0.18 1.47 1 107 LYS 1.84 -0.59 1 108 TYR -0.80 0.11 1 109 ALA -5.04 -3.09 1 110 LEU 0.17 1.55 1 111 ARG 5.02 0.66 1 112 ASP -0.40 0.09 1 113 ALA -1.98 -0.06 1 117 ARG -0.58 -3.00 1 118 ASN -4.33 -1.39 1 119 VAL -4.38 -2.49 1 120 LEU -5.35 -2.99 1 121 ILE -3.50 -1.67 1 122 ASP -2.14 1.29 1 123 ARG 2.36 2.42 1 124 GLU -1.08 -0.57 1 126 LYS -1.28 -0.21 1 127 ILE 2.79 1.34 1 128 VAL -1.77 -0.33 1 129 LYS -2.58 -3.70 1 130 LEU -3.83 -0.64 1 131 THR -1.89 0.79 1 136 GLU 5.00 2.20 1 137 GLU 3.82 3.11 1 138 GLU 2.37 3.33 1 139 PHE 5.01 1.57 1 140 ALA 4.08 3.47 1 141 SER 4.10 2.30 1 142 LEU 4.41 -0.72 1 143 VAL 5.21 2.18 1 144 GLN 0.38 2.34 1 145 GLN 5.38 2.69 1 146 ILE 6.32 0.99 1 147 ASN 4.09 3.83 1 148 GLU 3.07 3.36 1 149 MET 1.25 3.12 1 150 LEU 1.59 0.54 1 151 LYS 1.47 0.43 1 152 GLU -0.02 0.66 1 158 HIS -0.80 0.32 1 stop_ save_