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 bmr4683_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.08 _LACS_plot.Line_1_terminator_val_y_1 -2.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.48 _LACS_plot.Line_2_terminator_val_x_2 7.06 _LACS_plot.Line_2_terminator_val_y_2 5.02 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 131 ASP -6.13 -0.99 0 98 PHE -5.78 -0.48 0 85 LYS 5.16 0.76 0 11 GLU 0.38 0.43 1 12 SER 0.22 0.00 1 13 SER 0.00 -0.08 1 14 LYS 1.38 0.78 1 16 HIS 1.66 1.74 1 17 GLN 2.38 1.73 1 18 TRP 1.61 -0.09 1 19 GLN 4.64 3.40 1 20 ALA 3.51 2.15 1 21 ASP 4.28 2.44 1 22 GLU 4.62 3.43 1 23 GLU 3.27 2.21 1 24 ALA 3.42 1.87 1 25 VAL 5.46 4.14 1 26 ARG 5.15 4.18 1 27 SER 0.08 0.12 1 28 ALA 3.06 0.77 1 29 THR -1.03 -1.32 1 31 SER -3.46 -1.69 1 32 PHE -6.18 -1.98 1 33 SER 1.66 0.80 1 34 VAL -7.08 -2.05 1 35 LYS -1.19 -0.86 1 36 TYR -1.56 -1.74 1 37 LEU -0.95 -0.60 1 40 VAL -5.98 -3.15 1 41 GLU 0.93 0.40 1 42 VAL -5.85 -3.50 1 43 PHE 0.35 0.27 1 44 GLU -6.94 -2.55 1 45 SER -0.18 -0.53 1 46 ARG -3.59 -2.15 1 48 MET 4.69 4.16 1 49 GLN 5.06 3.21 1 50 VAL 4.81 3.17 1 52 GLU 3.09 2.92 1 53 GLU 3.22 2.15 1 54 ALA 2.78 2.40 1 55 LEU 4.04 2.86 1 56 LYS 4.93 3.96 1 57 VAL 5.15 3.73 1 58 LEU 2.92 2.57 1 59 ARG 3.39 3.07 1 60 GLN 0.51 -0.11 1 61 SER 0.68 0.80 1 62 ARG 1.99 0.07 1 63 ARG -0.10 -0.36 1 64 ARG 0.30 0.27 1 66 VAL -2.20 -0.65 1 67 ARG -0.20 -0.61 1 69 LEU -5.08 -1.98 1 70 LEU -3.97 -2.09 1 71 HIS -3.00 -0.27 1 72 VAL -1.53 -0.63 1 73 SER -4.96 -1.55 1 75 ASP -1.05 -0.11 1 77 LEU -3.14 -2.52 1 78 ARG -5.35 -1.91 1 79 VAL -2.09 -1.84 1 80 VAL -4.25 -2.38 1 81 ASP -1.52 0.35 1 82 ASP 2.12 2.92 1 83 GLU 1.96 2.22 1 84 THR -1.23 -0.18 1 87 LEU 0.37 -0.29 1 88 ILE 0.79 0.58 1 89 VAL -3.88 -0.41 1 90 ASP -1.40 -0.76 1 91 GLN -5.14 -2.35 1 92 THR 1.37 0.29 1 93 ILE 2.75 0.47 1 94 GLU 3.69 2.65 1 95 LYS -1.57 -1.55 1 96 VAL 0.35 -0.11 1 97 SER 2.77 1.61 1 100 ALA -4.16 -1.30 1 102 ASP -4.32 -0.90 1 103 ARG 2.90 2.25 1 104 ASN -0.20 0.42 1 105 HIS -1.46 1.67 1 106 GLU 2.82 2.68 1 107 ARG 0.72 -0.39 1 109 PHE -4.63 -0.42 1 110 SER -4.35 -0.80 1 111 TYR -5.22 -1.92 1 112 ILE -3.04 -1.10 1 114 ARG -2.26 -2.00 1 115 ASP -1.79 0.21 1 117 THR 3.80 2.69 1 118 THR -1.11 0.01 1 119 ARG 4.76 0.89 1 120 ARG -2.58 -1.02 1 121 TRP -1.69 -1.81 1 122 MET -4.94 -3.43 1 124 HIS -4.14 -0.12 1 126 PHE -5.33 -1.07 1 127 LEU -3.14 -1.62 1 128 ALA 0.74 0.44 1 130 LYS -2.04 -0.41 1 132 SER -2.63 -1.57 1 134 GLU 3.13 2.81 1 135 ARG 5.21 3.57 1 136 LEU 7.07 4.37 1 137 SER 3.37 2.67 1 138 HIS 6.30 4.50 1 139 ALA 4.92 3.18 1 140 VAL 6.94 4.10 1 143 ALA 5.02 3.17 1 144 PHE 1.89 -0.77 1 145 ALA 3.98 2.68 1 146 VAL 5.48 3.76 1 148 LEU 3.26 2.92 1 149 GLU 3.19 2.61 1 150 ARG 4.02 3.23 1 151 LYS 3.33 2.71 1 152 GLN 2.81 1.78 1 153 ARG 2.07 1.29 1 154 ARG 1.58 1.18 1 155 THR 0.95 0.69 1 156 ARG 0.65 0.33 1 157 ALA 0.10 -0.02 1 158 ALA -0.34 -0.27 1 159 ALA -0.32 -0.19 1 160 SER 0.43 1.34 1 162 PHE -2.94 -0.47 1 170 PHE 1.74 1.20 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4683_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.08 _LACS_plot.Line_1_terminator_val_y_1 4.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.52 _LACS_plot.Line_2_terminator_val_x_2 7.06 _LACS_plot.Line_2_terminator_val_y_2 -2.04 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 131 ASP -6.13 5.14 0 98 PHE -5.78 5.30 0 85 LYS 5.16 -4.40 0 11 GLU 0.38 0.05 1 12 SER 0.22 -0.22 1 13 SER 0.00 -0.08 1 14 LYS 1.38 -0.60 1 16 HIS 1.66 0.08 1 17 GLN 2.38 -0.65 1 18 TRP 1.61 -1.70 1 19 GLN 4.64 -1.24 1 20 ALA 3.51 -1.36 1 21 ASP 4.28 -1.84 1 22 GLU 4.62 -1.19 1 23 GLU 3.27 -1.06 1 24 ALA 3.42 -1.55 1 25 VAL 5.46 -1.32 1 26 ARG 5.15 -0.97 1 27 SER 0.08 0.04 1 28 ALA 3.06 -2.29 1 29 THR -1.03 -0.29 1 31 SER -3.46 1.77 1 32 PHE -6.18 4.20 1 33 SER 1.66 -0.86 1 34 VAL -7.08 5.03 1 35 LYS -1.19 0.33 1 36 TYR -1.56 -0.18 1 37 LEU -0.95 0.35 1 40 VAL -5.98 2.83 1 41 GLU 0.93 -0.53 1 42 VAL -5.85 2.35 1 43 PHE 0.35 -0.08 1 44 GLU -6.94 4.39 1 45 SER -0.18 -0.35 1 46 ARG -3.59 1.44 1 48 MET 4.69 -0.53 1 49 GLN 5.06 -1.85 1 50 VAL 4.81 -1.64 1 52 GLU 3.09 -0.17 1 53 GLU 3.22 -1.07 1 54 ALA 2.78 -0.38 1 55 LEU 4.04 -1.18 1 56 LYS 4.93 -0.97 1 57 VAL 5.15 -1.42 1 58 LEU 2.92 -0.35 1 59 ARG 3.39 -0.32 1 60 GLN 0.51 -0.62 1 61 SER 0.68 0.12 1 62 ARG 1.99 -1.92 1 63 ARG -0.10 -0.26 1 64 ARG 0.30 -0.03 1 66 VAL -2.20 1.55 1 67 ARG -0.20 -0.41 1 69 LEU -5.08 3.10 1 70 LEU -3.97 1.88 1 71 HIS -3.00 2.73 1 72 VAL -1.53 0.90 1 73 SER -4.96 3.41 1 75 ASP -1.05 0.94 1 77 LEU -3.14 0.62 1 78 ARG -5.35 3.44 1 79 VAL -2.09 0.25 1 80 VAL -4.25 1.87 1 81 ASP -1.52 1.87 1 82 ASP 2.12 0.80 1 83 GLU 1.96 0.26 1 84 THR -1.23 1.05 1 87 LEU 0.37 -0.66 1 88 ILE 0.79 -0.21 1 89 VAL -3.88 3.47 1 90 ASP -1.40 0.64 1 91 GLN -5.14 2.79 1 92 THR 1.37 -1.08 1 93 ILE 2.75 -2.28 1 94 GLU 3.69 -1.04 1 95 LYS -1.57 0.02 1 96 VAL 0.35 -0.46 1 97 SER 2.77 -1.16 1 100 ALA -4.16 2.86 1 102 ASP -4.32 3.42 1 103 ARG 2.90 -0.65 1 104 ASN -0.20 0.62 1 105 HIS -1.46 3.13 1 106 GLU 2.82 -0.14 1 107 ARG 0.72 -1.11 1 109 PHE -4.63 4.21 1 110 SER -4.35 3.55 1 111 TYR -5.22 3.30 1 112 ILE -3.04 1.94 1 114 ARG -2.26 0.26 1 115 ASP -1.79 2.00 1 117 THR 3.80 -1.11 1 118 THR -1.11 1.12 1 119 ARG 4.76 -3.87 1 120 ARG -2.58 1.56 1 121 TRP -1.69 -0.12 1 122 MET -4.94 1.51 1 124 HIS -4.14 4.02 1 126 PHE -5.33 4.26 1 127 LEU -3.14 1.52 1 128 ALA 0.74 -0.30 1 130 LYS -2.04 1.63 1 132 SER -2.63 1.06 1 134 GLU 3.13 -0.32 1 135 ARG 5.21 -1.64 1 136 LEU 7.07 -2.70 1 137 SER 3.37 -0.70 1 138 HIS 6.30 -1.80 1 139 ALA 4.92 -1.74 1 140 VAL 6.94 -2.84 1 143 ALA 5.02 -1.85 1 144 PHE 1.89 -2.66 1 145 ALA 3.98 -1.30 1 146 VAL 5.48 -1.72 1 148 LEU 3.26 -0.34 1 149 GLU 3.19 -0.58 1 150 ARG 4.02 -0.79 1 151 LYS 3.33 -0.62 1 152 GLN 2.81 -1.03 1 153 ARG 2.07 -0.78 1 154 ARG 1.58 -0.40 1 155 THR 0.95 -0.26 1 156 ARG 0.65 -0.32 1 157 ALA 0.10 -0.12 1 158 ALA -0.34 0.07 1 159 ALA -0.32 0.13 1 160 SER 0.43 0.91 1 162 PHE -2.94 2.47 1 170 PHE 1.74 -0.54 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4683_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.08 _LACS_plot.Line_1_terminator_val_y_1 0.81 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.30 _LACS_plot.Line_2_terminator_val_x_2 7.06 _LACS_plot.Line_2_terminator_val_y_2 -0.72 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 45 SER -0.18 -1.67 0 11 GLU 0.38 -0.14 1 12 SER 0.22 -0.05 1 13 SER 0.00 -0.01 1 14 LYS 1.38 -0.17 1 16 HIS 1.66 -0.36 1 17 GLN 2.38 -0.31 1 18 TRP 1.61 0.12 1 19 GLN 4.64 -0.22 1 20 ALA 3.51 -0.11 1 21 ASP 4.28 -0.21 1 22 GLU 4.62 -0.44 1 23 GLU 3.27 -0.35 1 24 ALA 3.42 -0.24 1 25 VAL 5.46 -0.40 1 26 ARG 5.15 -0.47 1 27 SER 0.08 0.00 1 28 ALA 3.06 -0.17 1 29 THR -1.03 0.17 1 31 SER -3.46 0.92 1 32 PHE -6.18 0.38 1 33 SER 1.66 0.47 1 34 VAL -7.08 1.30 1 35 LYS -1.19 0.65 1 36 TYR -1.56 0.19 1 37 LEU -0.95 -0.36 1 40 VAL -5.98 0.29 1 41 GLU 0.93 0.67 1 42 VAL -5.85 0.26 1 43 PHE 0.35 0.27 1 44 GLU -6.94 -0.10 1 46 ARG -3.59 -0.85 1 48 MET 4.69 -0.45 1 49 GLN 5.06 -0.19 1 50 VAL 4.81 -0.53 1 52 GLU 3.09 -0.47 1 53 GLU 3.22 -0.33 1 54 ALA 2.78 -0.29 1 55 LEU 4.04 -0.55 1 56 LYS 4.93 -0.48 1 57 VAL 5.15 -0.48 1 58 LEU 2.92 -0.50 1 59 ARG 3.39 -0.36 1 60 GLN 0.51 0.02 1 61 SER 0.68 -0.17 1 62 ARG 1.99 -0.08 1 63 ARG -0.10 -0.13 1 64 ARG 0.30 -0.16 1 66 VAL -2.20 0.18 1 67 ARG -0.20 0.61 1 69 LEU -5.08 0.85 1 70 LEU -3.97 0.76 1 71 HIS -3.00 0.23 1 72 VAL -1.53 0.29 1 73 SER -4.96 0.68 1 75 ASP -1.05 0.16 1 77 LEU -3.14 0.95 1 78 ARG -5.35 0.95 1 79 VAL -2.09 1.23 1 80 VAL -4.25 0.73 1 81 ASP -1.52 -0.17 1 82 ASP 2.12 -0.15 1 83 GLU 1.96 -0.12 1 84 THR -1.23 0.03 1 85 LYS 5.16 -0.23 1 87 LEU 0.37 0.20 1 88 ILE 0.79 0.10 1 89 VAL -3.88 -0.01 1 90 ASP -1.40 0.30 1 91 GLN -5.14 0.25 1 92 THR 1.37 0.21 1 93 ILE 2.75 -0.32 1 94 GLU 3.69 -0.45 1 95 LYS -1.57 0.41 1 96 VAL 0.35 0.46 1 97 SER 2.77 -0.38 1 98 PHE -5.78 1.16 1 100 ALA -4.16 0.48 1 102 ASP -4.32 0.13 1 103 ARG 2.90 -0.24 1 104 ASN -0.20 -0.03 1 105 HIS -1.46 -0.18 1 106 GLU 2.82 0.07 1 107 ARG 0.72 0.38 1 109 PHE -4.63 0.48 1 110 SER -4.35 0.87 1 111 TYR -5.22 0.86 1 112 ILE -3.04 1.21 1 114 ARG -2.26 0.27 1 115 ASP -1.79 0.08 1 117 THR 3.80 -0.14 1 118 THR -1.11 -0.04 1 119 ARG 4.76 -0.50 1 120 ARG -2.58 -0.06 1 121 TRP -1.69 0.71 1 122 MET -4.94 0.80 1 124 HIS -4.14 -0.10 1 126 PHE -5.33 0.81 1 127 LEU -3.14 0.59 1 128 ALA 0.74 0.26 1 130 LYS -2.04 0.25 1 131 ASP -6.13 0.38 1 132 SER -2.63 0.12 1 134 GLU 3.13 -0.32 1 135 ARG 5.21 -1.46 1 136 LEU 7.07 -1.65 1 137 SER 3.37 -0.33 1 138 HIS 6.30 -0.86 1 139 ALA 4.92 -0.74 1 140 VAL 6.94 -1.09 1 143 ALA 5.02 -0.72 1 144 PHE 1.89 -0.34 1 145 ALA 3.98 -0.10 1 146 VAL 5.48 -0.48 1 148 LEU 3.26 -0.30 1 149 GLU 3.19 -0.32 1 150 ARG 4.02 -0.27 1 151 LYS 3.33 -0.22 1 152 GLN 2.81 -0.18 1 153 ARG 2.07 -0.12 1 154 ARG 1.58 -0.01 1 155 THR 0.95 -0.08 1 156 ARG 0.65 -0.03 1 157 ALA 0.10 -0.02 1 158 ALA -0.34 -0.01 1 159 ALA -0.32 0.05 1 162 PHE -2.94 0.30 1 170 PHE 1.74 -0.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4683_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.08 _LACS_plot.Line_1_terminator_val_y_1 -3.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.75 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.94 _LACS_plot.Line_2_terminator_val_x_2 7.06 _LACS_plot.Line_2_terminator_val_y_2 2.74 _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 136 LEU 7.07 -0.92 0 11 GLU 0.38 0.15 1 12 SER 0.22 -0.12 1 13 SER 0.00 -0.67 1 16 HIS 1.66 1.77 1 17 GLN 2.38 0.38 1 18 TRP 1.61 1.96 1 19 GLN 4.64 2.28 1 20 ALA 3.51 2.59 1 21 ASP 4.28 1.30 1 22 GLU 4.62 1.82 1 23 GLU 3.27 2.23 1 24 ALA 3.42 1.63 1 25 VAL 5.46 3.04 1 26 ARG 5.15 1.49 1 27 SER 0.08 -1.71 1 28 ALA 3.06 -1.49 1 29 THR -1.03 -0.98 1 31 SER -3.46 -2.47 1 32 PHE -6.18 -0.42 1 33 SER 1.66 1.17 1 34 VAL -7.08 -1.76 1 35 LYS -1.19 -0.98 1 36 TYR -1.56 -0.49 1 37 LEU -0.95 -2.33 1 40 VAL -5.98 -3.75 1 41 GLU 0.93 -0.48 1 42 VAL -5.85 -1.51 1 43 PHE 0.35 -1.03 1 44 GLU -6.94 -3.58 1 45 SER -0.18 -1.31 1 46 ARG -3.59 -3.33 1 48 MET 4.69 1.20 1 49 GLN 5.06 1.58 1 50 VAL 4.81 2.62 1 52 GLU 3.09 3.62 1 53 GLU 3.22 1.98 1 54 ALA 2.78 1.59 1 55 LEU 4.04 1.21 1 56 LYS 4.93 2.55 1 57 VAL 5.15 3.69 1 58 LEU 2.92 2.46 1 59 ARG 3.39 0.97 1 60 GLN 0.51 -0.03 1 61 SER 0.68 0.09 1 62 ARG 1.99 -0.13 1 63 ARG -0.10 -0.16 1 66 VAL -2.20 -0.67 1 67 ARG -0.20 -0.25 1 69 LEU -5.08 -2.79 1 70 LEU -3.97 -3.17 1 71 HIS -3.00 1.03 1 72 VAL -1.53 -2.74 1 73 SER -4.96 -1.61 1 75 ASP -1.05 0.50 1 77 LEU -3.14 -2.21 1 78 ARG -5.35 -1.12 1 79 VAL -2.09 -1.74 1 80 VAL -4.25 -0.24 1 81 ASP -1.52 0.60 1 82 ASP 2.12 1.20 1 83 GLU 1.96 1.63 1 84 THR -1.23 1.35 1 85 LYS 5.16 -0.81 1 87 LEU 0.37 -0.88 1 88 ILE 0.79 -0.40 1 89 VAL -3.88 -2.73 1 90 ASP -1.40 -2.48 1 91 GLN -5.14 -1.05 1 92 THR 1.37 2.40 1 93 ILE 2.75 1.19 1 94 GLU 3.69 -1.51 1 95 LYS -1.57 -1.10 1 96 VAL 0.35 -1.53 1 97 SER 2.77 2.78 1 98 PHE -5.78 -2.89 1 100 ALA -4.16 -3.37 1 102 ASP -4.32 0.87 1 103 ARG 2.90 0.58 1 104 ASN -0.20 -0.54 1 105 HIS -1.46 1.57 1 106 GLU 2.82 0.71 1 107 ARG 0.72 0.00 1 109 PHE -4.63 -4.29 1 110 SER -4.35 -3.08 1 111 TYR -5.22 -3.59 1 112 ILE -3.04 -1.30 1 114 ARG -2.26 -1.02 1 115 ASP -1.79 0.98 1 117 THR 3.80 1.06 1 118 THR -1.11 0.10 1 119 ARG 4.76 -1.70 1 120 ARG -2.58 -0.61 1 121 TRP -1.69 -0.61 1 122 MET -4.94 -1.97 1 124 HIS -4.14 0.26 1 126 PHE -5.33 -1.16 1 127 LEU -3.14 -1.09 1 128 ALA 0.74 -0.19 1 130 LYS -2.04 -2.31 1 131 ASP -6.13 -3.54 1 132 SER -2.63 1.48 1 134 GLU 3.13 1.24 1 135 ARG 5.21 2.39 1 137 SER 3.37 1.19 1 138 HIS 6.30 2.24 1 139 ALA 4.92 0.48 1 140 VAL 6.94 0.36 1 143 ALA 5.02 1.59 1 144 PHE 1.89 2.78 1 145 ALA 3.98 2.65 1 146 VAL 5.48 1.29 1 148 LEU 3.26 0.62 1 149 GLU 3.19 2.86 1 150 ARG 4.02 2.42 1 151 LYS 3.33 2.23 1 152 GLN 2.81 1.46 1 153 ARG 2.07 0.89 1 154 ARG 1.58 0.78 1 155 THR 0.95 -0.02 1 156 ARG 0.65 -0.29 1 157 ALA 0.10 -0.51 1 158 ALA -0.34 -0.69 1 159 ALA -0.32 -1.16 1 stop_ save_