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 bmr18529_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.84 _LACS_plot.Line_1_terminator_val_y_1 -2.79 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.01 _LACS_plot.Line_2_terminator_val_x_2 9.19 _LACS_plot.Line_2_terminator_val_y_2 6.14 _LACS_plot.Y_axis_chem_shift_offset 0.61 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 114 MET -4.95 -0.82 0 97 HIS 3.51 4.64 0 96 ILE 6.37 1.09 0 10 VAL -2.07 -1.56 1 11 VAL 0.70 -0.52 1 12 VAL -5.18 -3.44 1 14 ALA 0.16 -0.35 1 17 VAL 1.71 0.08 1 19 LYS 8.94 4.51 1 21 ALA 2.81 1.44 1 22 LEU 3.37 3.25 1 23 THR 9.19 6.26 1 24 ILE 6.51 3.05 1 25 GLN 3.60 2.95 1 26 LEU 5.34 2.54 1 27 ILE 3.01 0.71 1 28 GLN -1.08 -0.89 1 29 ASN 3.26 1.03 1 30 HIS -4.14 -0.75 1 31 PHE -2.54 -2.90 1 32 VAL -1.41 -2.63 1 33 ASP 0.19 0.01 1 34 GLU -1.40 -1.44 1 35 TYR 0.04 0.48 1 36 ASP -0.11 -0.01 1 38 THR 0.02 -0.10 1 39 ILE 2.06 0.55 1 40 GLU -4.37 -2.45 1 41 ASP -4.06 -2.08 1 42 SER -4.67 -3.13 1 43 TYR -5.09 -1.44 1 44 ARG -4.33 -2.17 1 45 LYS -4.94 -1.08 1 46 GLN -0.14 -0.60 1 47 VAL -5.42 -3.11 1 48 VAL 0.64 -0.89 1 49 ILE -1.51 -1.30 1 50 ASP 3.04 0.68 1 52 GLU -3.40 -2.24 1 53 THR 3.16 1.34 1 55 LEU -2.90 -2.08 1 56 LEU -0.64 -1.96 1 57 ASP -2.11 -1.44 1 58 ILE -3.34 -1.37 1 59 LEU -0.77 -1.47 1 60 ASP -1.19 -1.43 1 61 THR -2.13 -0.61 1 62 ALA -2.14 -1.23 1 64 GLN 0.95 0.06 1 65 GLU 1.65 0.61 1 66 GLU -0.14 -0.43 1 67 TYR 1.09 -0.06 1 68 SER -1.45 -1.85 1 69 ALA 4.03 2.38 1 70 MET 3.10 1.97 1 71 ARG 4.73 2.59 1 72 ASP 3.66 3.00 1 73 GLN 4.91 2.97 1 74 TYR 4.32 2.75 1 75 MET 4.65 2.54 1 76 ARG 4.18 3.07 1 77 THR 0.35 0.14 1 79 GLU -1.79 -0.24 1 81 PHE -3.88 -1.36 1 84 VAL -0.84 -1.29 1 85 PHE -3.27 -2.90 1 86 ALA -4.85 -3.17 1 87 ILE 3.11 1.76 1 88 ASN 0.02 -1.37 1 89 ASN -2.18 -0.76 1 90 THR 6.30 4.41 1 91 LYS 5.36 2.71 1 92 SER 3.86 3.05 1 93 PHE 1.91 1.71 1 94 GLU 3.62 2.06 1 95 ASP 1.99 1.52 1 98 HIS 3.41 3.36 1 99 TYR 6.61 4.74 1 100 ARG 6.49 3.46 1 101 GLU 3.58 1.96 1 102 GLN 4.53 2.75 1 103 ILE 5.52 3.68 1 104 LYS 4.86 2.96 1 105 ARG 4.28 2.52 1 106 VAL 4.41 2.37 1 107 LYS 1.12 -1.69 1 108 ASP 1.86 0.10 1 109 SER -2.14 -1.54 1 110 GLU -0.41 -0.58 1 111 ASP -0.80 -1.31 1 112 VAL -2.51 -1.18 1 115 VAL -5.06 -1.76 1 116 LEU -2.23 -1.70 1 117 VAL -3.57 -2.43 1 119 ASN -3.52 -1.87 1 120 LYS 5.00 0.78 1 122 ASP -0.33 -0.63 1 125 SER -0.45 -2.31 1 126 ARG -1.15 -0.47 1 127 THR 0.82 -0.37 1 128 VAL -0.46 -1.20 1 129 ASP -1.00 -0.44 1 130 THR 6.31 5.02 1 131 LYS 4.75 2.75 1 132 GLN 3.83 2.47 1 133 ALA 3.28 1.96 1 134 GLN 4.46 2.80 1 135 ASP 4.52 2.69 1 136 LEU 4.05 2.26 1 137 ALA 4.59 2.89 1 138 ARG 5.04 2.89 1 139 SER 4.44 2.66 1 140 TYR -2.67 -3.36 1 142 ILE 0.44 -0.56 1 144 PHE -5.34 -3.41 1 145 ILE -4.89 -2.30 1 146 GLU -1.71 -1.66 1 147 THR -5.84 -2.40 1 148 SER -1.42 -1.27 1 149 ALA 3.08 1.66 1 150 LYS 1.60 1.53 1 151 THR -0.13 -0.83 1 152 ARG 3.65 2.47 1 153 GLN 2.84 1.20 1 155 VAL 7.65 5.43 1 156 ASP 5.07 2.76 1 157 ASP 4.14 2.57 1 158 ALA 5.92 3.34 1 159 PHE 5.74 4.67 1 160 TYR 4.39 0.43 1 161 THR 7.13 5.28 1 162 LEU 5.43 2.40 1 163 VAL 7.46 4.58 1 164 ARG 6.42 4.24 1 165 GLU 2.07 1.66 1 166 ILE 5.94 4.31 1 167 ARG 2.77 2.16 1 168 LYS 1.78 0.67 1 169 HIS 1.91 2.37 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18529_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.84 _LACS_plot.Line_1_terminator_val_y_1 3.05 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.01 _LACS_plot.Line_2_terminator_val_x_2 9.19 _LACS_plot.Line_2_terminator_val_y_2 -3.05 _LACS_plot.Y_axis_chem_shift_offset 0.61 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 114 MET -4.95 4.13 0 97 HIS 3.51 1.13 0 96 ILE 6.37 -5.28 0 10 VAL -2.07 0.51 1 11 VAL 0.70 -1.22 1 12 VAL -5.18 1.74 1 14 ALA 0.16 -0.51 1 17 VAL 1.71 -1.63 1 19 LYS 8.94 -4.43 1 21 ALA 2.81 -1.37 1 22 LEU 3.37 -0.12 1 23 THR 9.19 -2.93 1 24 ILE 6.51 -3.46 1 25 GLN 3.60 -0.65 1 26 LEU 5.34 -2.80 1 27 ILE 3.01 -2.30 1 28 GLN -1.08 0.19 1 29 ASN 3.26 -2.23 1 30 HIS -4.14 3.39 1 31 PHE -2.54 -0.36 1 32 VAL -1.41 -1.22 1 33 ASP 0.19 -0.18 1 34 GLU -1.40 -0.04 1 35 TYR 0.04 0.44 1 36 ASP -0.11 0.10 1 38 THR 0.02 -0.12 1 39 ILE 2.06 -1.51 1 40 GLU -4.37 1.92 1 41 ASP -4.06 1.98 1 42 SER -4.67 1.54 1 43 TYR -5.09 3.65 1 44 ARG -4.33 2.16 1 45 LYS -4.94 3.86 1 46 GLN -0.14 -0.46 1 47 VAL -5.42 2.31 1 48 VAL 0.64 -1.53 1 49 ILE -1.51 0.21 1 50 ASP 3.04 -2.36 1 52 GLU -3.40 1.16 1 53 THR 3.16 -1.82 1 55 LEU -2.90 0.82 1 56 LEU -0.64 -1.32 1 57 ASP -2.11 0.67 1 58 ILE -3.34 1.97 1 59 LEU -0.77 -0.70 1 60 ASP -1.19 -0.24 1 61 THR -2.13 1.52 1 62 ALA -2.14 0.91 1 64 GLN 0.95 -0.89 1 65 GLU 1.65 -1.04 1 66 GLU -0.14 -0.29 1 67 TYR 1.09 -1.15 1 68 SER -1.45 -0.40 1 69 ALA 4.03 -1.65 1 70 MET 3.10 -1.13 1 71 ARG 4.73 -2.14 1 72 ASP 3.66 -0.66 1 73 GLN 4.91 -1.94 1 74 TYR 4.32 -1.57 1 75 MET 4.65 -2.11 1 76 ARG 4.18 -1.11 1 77 THR 0.35 -0.21 1 79 GLU -1.79 1.55 1 81 PHE -3.88 2.52 1 84 VAL -0.84 -0.45 1 85 PHE -3.27 0.37 1 86 ALA -4.85 1.68 1 87 ILE 3.11 -1.35 1 88 ASN 0.02 -1.39 1 89 ASN -2.18 1.42 1 90 THR 6.30 -1.89 1 91 LYS 5.36 -2.65 1 92 SER 3.86 -0.81 1 93 PHE 1.91 -0.20 1 94 GLU 3.62 -1.56 1 95 ASP 1.99 -0.47 1 98 HIS 3.41 -0.05 1 99 TYR 6.61 -1.87 1 100 ARG 6.49 -3.03 1 101 GLU 3.58 -1.62 1 102 GLN 4.53 -1.78 1 103 ILE 5.52 -1.84 1 104 LYS 4.86 -1.90 1 105 ARG 4.28 -1.76 1 106 VAL 4.41 -2.04 1 107 LYS 1.12 -2.81 1 108 ASP 1.86 -1.76 1 109 SER -2.14 0.60 1 110 GLU -0.41 -0.17 1 111 ASP -0.80 -0.51 1 112 VAL -2.51 1.33 1 115 VAL -5.06 3.30 1 116 LEU -2.23 0.53 1 117 VAL -3.57 1.14 1 119 ASN -3.52 1.65 1 120 LYS 5.00 -4.22 1 122 ASP -0.33 -0.30 1 125 SER -0.45 -1.86 1 126 ARG -1.15 0.68 1 127 THR 0.82 -1.19 1 128 VAL -0.46 -0.74 1 129 ASP -1.00 0.56 1 130 THR 6.31 -1.29 1 131 LYS 4.75 -2.00 1 132 GLN 3.83 -1.36 1 133 ALA 3.28 -1.32 1 134 GLN 4.46 -1.66 1 135 ASP 4.52 -1.83 1 136 LEU 4.05 -1.79 1 137 ALA 4.59 -1.70 1 138 ARG 5.04 -2.15 1 139 SER 4.44 -1.78 1 140 TYR -2.67 -0.69 1 142 ILE 0.44 -1.00 1 144 PHE -5.34 1.93 1 145 ILE -4.89 2.59 1 146 GLU -1.71 0.05 1 147 THR -5.84 3.44 1 148 SER -1.42 0.15 1 149 ALA 3.08 -1.42 1 150 LYS 1.60 -0.07 1 151 THR -0.13 -0.70 1 152 ARG 3.65 -1.18 1 153 GLN 2.84 -1.64 1 155 VAL 7.65 -2.22 1 156 ASP 5.07 -2.31 1 157 ASP 4.14 -1.57 1 158 ALA 5.92 -2.58 1 159 PHE 5.74 -1.07 1 160 TYR 4.39 -3.96 1 161 THR 7.13 -1.85 1 162 LEU 5.43 -3.03 1 163 VAL 7.46 -2.88 1 164 ARG 6.42 -2.18 1 165 GLU 2.07 -0.41 1 166 ILE 5.94 -1.63 1 167 ARG 2.77 -0.61 1 168 LYS 1.78 -1.11 1 169 HIS 1.91 0.46 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18529_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.84 _LACS_plot.Line_1_terminator_val_y_1 0.87 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 0.36 _LACS_plot.Line_2_terminator_val_x_2 7.64 _LACS_plot.Line_2_terminator_val_y_2 -0.83 _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 150 LYS 1.60 -1.80 0 147 THR -5.84 -0.71 0 10 VAL -2.07 0.27 1 11 VAL 0.70 0.59 1 12 VAL -5.18 0.48 1 14 ALA 0.16 0.17 1 17 VAL 1.71 0.01 1 21 ALA 2.81 -0.44 1 22 LEU 3.37 -0.47 1 25 GLN 3.60 0.00 1 27 ILE 3.01 -0.50 1 28 GLN -1.08 0.21 1 29 ASN 3.26 0.10 1 33 ASP 0.19 -0.64 1 34 GLU -1.40 0.05 1 38 THR 0.02 0.00 1 40 GLU -4.37 0.68 1 42 SER -4.67 1.22 1 43 TYR -5.09 0.08 1 44 ARG -4.33 1.53 1 46 GLN -0.14 0.91 1 50 ASP 3.04 -0.38 1 52 GLU -3.40 0.34 1 53 THR 3.16 -0.27 1 55 LEU -2.90 0.61 1 57 ASP -2.11 0.52 1 61 THR -2.13 0.32 1 62 ALA -2.14 0.51 1 64 GLN 0.95 0.07 1 65 GLU 1.65 -0.11 1 66 GLU -0.14 -0.10 1 67 TYR 1.09 0.01 1 69 ALA 4.03 -0.15 1 71 ARG 4.73 -0.53 1 72 ASP 3.66 0.20 1 73 GLN 4.91 -0.25 1 77 THR 0.35 -0.06 1 79 GLU -1.79 0.16 1 81 PHE -3.88 0.84 1 84 VAL -0.84 0.95 1 85 PHE -3.27 0.41 1 86 ALA -4.85 0.76 1 88 ASN 0.02 -0.76 1 89 ASN -2.18 -0.22 1 90 THR 6.30 -0.48 1 91 LYS 5.36 -1.42 1 92 SER 3.86 -0.79 1 93 PHE 1.91 -0.11 1 94 GLU 3.62 -0.54 1 97 HIS 3.51 -0.50 1 98 HIS 3.41 -0.50 1 100 ARG 6.49 -0.13 1 101 GLU 3.58 -0.58 1 102 GLN 4.53 -0.44 1 104 LYS 4.86 -0.37 1 105 ARG 4.28 -0.24 1 107 LYS 1.12 -0.05 1 108 ASP 1.86 -1.52 1 109 SER -2.14 0.08 1 110 GLU -0.41 -0.06 1 111 ASP -0.80 0.23 1 114 MET -4.95 1.32 1 115 VAL -5.06 0.25 1 117 VAL -3.57 0.95 1 119 ASN -3.52 0.89 1 127 THR 0.82 0.20 1 128 VAL -0.46 1.13 1 130 THR 6.31 -0.56 1 131 LYS 4.75 -0.28 1 132 GLN 3.83 -0.27 1 133 ALA 3.28 -0.43 1 134 GLN 4.46 -0.59 1 135 ASP 4.52 -0.29 1 137 ALA 4.59 0.51 1 139 SER 4.44 -0.53 1 140 TYR -2.67 0.37 1 144 PHE -5.34 1.52 1 145 ILE -4.89 -0.26 1 146 GLU -1.71 0.38 1 149 ALA 3.08 -0.42 1 151 THR -0.13 0.10 1 152 ARG 3.65 -0.86 1 153 GLN 2.84 -0.25 1 155 VAL 7.65 -0.87 1 156 ASP 5.07 -0.76 1 157 ASP 4.14 -0.47 1 158 ALA 5.92 -0.57 1 159 PHE 5.74 -0.68 1 160 TYR 4.39 -0.23 1 163 VAL 7.46 -1.00 1 164 ARG 6.42 -0.57 1 165 GLU 2.07 -0.28 1 166 ILE 5.94 -0.56 1 167 ARG 2.77 -0.17 1 168 LYS 1.78 -0.02 1 169 HIS 1.91 -1.26 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18529_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.84 _LACS_plot.Line_1_terminator_val_y_1 -2.75 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.06 _LACS_plot.Line_2_terminator_val_x_2 9.19 _LACS_plot.Line_2_terminator_val_y_2 3.16 _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 86 ALA -4.85 1.52 0 169 HIS 1.91 5.08 0 147 THR -5.84 1.49 0 10 VAL -2.07 -2.11 1 11 VAL 0.70 -0.82 1 12 VAL -5.18 -3.43 1 14 ALA 0.16 -0.35 1 17 VAL 1.71 -1.81 1 19 LYS 8.94 3.14 1 21 ALA 2.81 4.33 1 22 LEU 3.37 0.09 1 23 THR 9.19 1.24 1 24 ILE 6.51 2.80 1 25 GLN 3.60 3.33 1 26 LEU 5.34 0.67 1 27 ILE 3.01 1.24 1 28 GLN -1.08 0.32 1 29 ASN 3.26 -1.19 1 30 HIS -4.14 -1.36 1 31 PHE -2.54 -1.19 1 32 VAL -1.41 -2.78 1 33 ASP 0.19 -0.08 1 34 GLU -1.40 -2.28 1 35 TYR 0.04 -0.58 1 36 ASP -0.11 1.38 1 38 THR 0.02 0.01 1 39 ILE 2.06 -1.54 1 40 GLU -4.37 -2.40 1 41 ASP -4.06 -3.00 1 42 SER -4.67 -1.17 1 43 TYR -5.09 -1.62 1 44 ARG -4.33 0.09 1 45 LYS -4.94 -2.83 1 46 GLN -0.14 -0.74 1 47 VAL -5.42 -3.11 1 48 VAL 0.64 -0.84 1 49 ILE -1.51 -0.03 1 50 ASP 3.04 -0.11 1 52 GLU -3.40 -0.98 1 53 THR 3.16 -1.11 1 55 LEU -2.90 -2.61 1 56 LEU -0.64 -3.27 1 57 ASP -2.11 -1.35 1 58 ILE -3.34 -1.35 1 59 LEU -0.77 -3.89 1 60 ASP -1.19 -0.80 1 61 THR -2.13 -0.79 1 62 ALA -2.14 0.31 1 64 GLN 0.95 0.60 1 65 GLU 1.65 0.30 1 66 GLU -0.14 -0.66 1 67 TYR 1.09 -0.25 1 68 SER -1.45 -0.35 1 69 ALA 4.03 2.37 1 70 MET 3.10 1.30 1 71 ARG 4.73 1.70 1 72 ASP 3.66 1.76 1 73 GLN 4.91 3.50 1 74 TYR 4.32 2.63 1 75 MET 4.65 0.79 1 76 ARG 4.18 2.77 1 77 THR 0.35 0.86 1 79 GLU -1.79 -0.13 1 81 PHE -3.88 -2.15 1 84 VAL -0.84 -1.28 1 85 PHE -3.27 -4.56 1 87 ILE 3.11 -2.24 1 88 ASN 0.02 -0.54 1 89 ASN -2.18 -0.25 1 90 THR 6.30 1.49 1 91 LYS 5.36 1.54 1 92 SER 3.86 1.20 1 93 PHE 1.91 1.51 1 94 GLU 3.62 3.03 1 95 ASP 1.99 1.34 1 96 ILE 6.37 0.97 1 97 HIS 3.51 3.05 1 98 HIS 3.41 4.38 1 99 TYR 6.61 1.97 1 100 ARG 6.49 1.38 1 101 GLU 3.58 2.33 1 102 GLN 4.53 1.98 1 103 ILE 5.52 0.81 1 104 LYS 4.86 2.83 1 105 ARG 4.28 3.08 1 106 VAL 4.41 1.42 1 107 LYS 1.12 -0.48 1 108 ASP 1.86 -1.62 1 109 SER -2.14 -1.24 1 110 GLU -0.41 -0.40 1 111 ASP -0.80 -1.81 1 112 VAL -2.51 -1.00 1 114 MET -4.95 -2.54 1 115 VAL -5.06 -3.05 1 116 LEU -2.23 -3.96 1 117 VAL -3.57 -2.43 1 119 ASN -3.52 -0.58 1 120 LYS 5.00 0.80 1 122 ASP -0.33 -0.63 1 125 SER -0.45 -1.94 1 126 ARG -1.15 -0.35 1 127 THR 0.82 -0.30 1 128 VAL -0.46 -1.07 1 129 ASP -1.00 0.31 1 130 THR 6.31 1.03 1 131 LYS 4.75 1.75 1 132 GLN 3.83 3.39 1 133 ALA 3.28 0.27 1 134 GLN 4.46 3.55 1 135 ASP 4.52 2.68 1 136 LEU 4.05 1.48 1 137 ALA 4.59 2.12 1 138 ARG 5.04 3.78 1 139 SER 4.44 1.54 1 140 TYR -2.67 0.36 1 142 ILE 0.44 -2.08 1 144 PHE -5.34 -2.02 1 145 ILE -4.89 -3.63 1 146 GLU -1.71 -0.45 1 148 SER -1.42 1.03 1 149 ALA 3.08 -2.00 1 150 LYS 1.60 0.43 1 151 THR -0.13 1.13 1 152 ARG 3.65 -0.46 1 153 GLN 2.84 1.05 1 155 VAL 7.65 0.40 1 156 ASP 5.07 1.02 1 157 ASP 4.14 3.08 1 158 ALA 5.92 -0.04 1 159 PHE 5.74 2.29 1 160 TYR 4.39 3.12 1 161 THR 7.13 1.02 1 162 LEU 5.43 -0.01 1 163 VAL 7.46 1.39 1 164 ARG 6.42 3.14 1 165 GLU 2.07 2.92 1 166 ILE 5.94 2.45 1 167 ARG 2.77 0.78 1 168 LYS 1.78 -0.68 1 stop_ save_