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 bmr26026_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -3.80 _LACS_plot.Line_1_terminator_val_y_1 -1.60 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.20 _LACS_plot.Line_2_terminator_val_x_2 6.73 _LACS_plot.Line_2_terminator_val_y_2 5.29 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 138 ASP -2.64 -0.17 0 39 PHE -3.80 -1.23 0 10 LEU 4.34 3.38 1 11 LYS 5.20 4.58 1 12 THR 5.56 4.62 1 13 ARG 3.21 3.68 1 14 VAL 6.74 5.13 1 15 ALA 4.21 2.91 1 16 ALA 3.25 2.22 1 17 LEU 2.18 2.39 1 18 HIS 5.63 5.33 1 19 THR 4.71 3.76 1 20 LEU 1.15 2.23 1 21 ILE 2.18 0.30 1 24 LEU -1.20 -0.81 1 25 ALA 2.78 2.79 1 26 SER 0.90 0.67 1 27 GLN 1.18 1.40 1 30 PHE -3.60 -1.72 1 31 SER 2.61 1.64 1 33 ARG -0.07 -0.78 1 34 PHE 0.84 0.49 1 35 ASP 0.30 -0.90 1 36 ARG 3.16 2.39 1 37 GLN 3.29 1.75 1 38 LEU -0.43 0.13 1 40 ALA 0.03 0.55 1 42 ARG 0.57 -0.77 1 44 ALA -1.71 -0.06 1 45 ARG -3.30 -2.12 1 46 LEU 4.49 3.72 1 48 ASP 3.85 3.33 1 49 TYR 4.00 2.81 1 50 LEU 4.21 3.04 1 51 THR 6.43 5.20 1 52 GLU 4.97 3.84 1 53 ALA 5.00 2.93 1 54 GLU 4.65 3.72 1 55 GLU 3.71 3.01 1 56 SER 4.19 3.94 1 57 LEU 4.86 3.30 1 58 THR 6.23 4.90 1 59 HIS 2.02 3.26 1 61 GLU 4.39 3.96 1 62 ALA 4.28 2.96 1 63 ALA 3.68 2.83 1 64 VAL 5.29 4.01 1 65 ASN 3.45 2.86 1 66 GLN 0.69 0.67 1 68 ASP -0.94 -1.87 1 69 ALA 3.22 3.17 1 70 THR 5.40 4.20 1 71 ARG 2.98 2.69 1 72 VAL 5.78 4.87 1 73 ALA 3.95 2.90 1 74 TRP 3.84 3.65 1 75 LEU 1.59 2.67 1 76 ALA 4.30 3.34 1 77 GLU 3.22 2.76 1 78 ARG 3.99 2.58 1 79 LEU 3.28 2.33 1 80 ALA 4.86 3.51 1 81 ALA 3.36 2.53 1 82 GLN 5.31 4.02 1 83 ILE 5.07 4.65 1 84 GLU 3.54 2.96 1 85 ALA 3.02 2.76 1 86 LEU 2.66 3.02 1 87 GLN 5.19 4.11 1 88 ARG 4.04 3.43 1 89 GLU 1.95 1.58 1 90 ALA 2.78 2.00 1 91 ALA 2.60 1.95 1 92 THR 3.15 2.66 1 93 ALA 1.59 1.69 1 94 THR 2.29 1.99 1 95 LEU 1.35 1.11 1 96 ARG 1.05 0.50 1 97 ARG 2.43 1.99 1 98 HIS 0.27 1.71 1 99 GLU 0.21 0.51 1 100 ASN 0.38 0.35 1 101 ALA 0.63 0.71 1 102 HIS 2.23 3.38 1 103 LEU 5.85 5.36 1 108 LEU 3.20 2.84 1 109 HIS 4.50 5.60 1 110 ALA 3.60 2.48 1 111 ARG 3.23 2.42 1 112 LEU 4.37 3.50 1 113 ALA 3.77 2.56 1 121 ARG 4.22 3.53 1 122 LEU 2.42 2.90 1 123 LEU 3.53 3.13 1 124 ALA 4.10 2.84 1 125 MET 2.69 3.88 1 126 LYS 4.72 4.57 1 127 ASN 3.71 3.53 1 131 GLN 4.65 3.36 1 132 ARG 2.83 2.87 1 134 ALA 2.99 1.93 1 135 GLU 1.25 1.74 1 136 ARG -0.97 0.06 1 137 HIS 2.75 0.54 1 140 GLN 4.62 3.11 1 141 LEU 1.90 2.26 1 142 ALA 4.44 2.93 1 145 ILE 6.47 5.67 1 146 THR 6.01 4.99 1 147 ALA 3.71 2.65 1 149 ASP 2.64 2.43 1 150 GLU 4.00 3.31 1 151 ARG 3.67 3.74 1 152 LEU 3.66 3.41 1 153 THR 6.67 5.34 1 156 ARG 5.99 4.64 1 157 THR 6.02 4.84 1 158 ALA 5.25 2.93 1 160 ALA 3.93 2.78 1 164 ARG 3.52 2.82 1 165 ALA 2.67 2.25 1 166 LEU 1.84 2.00 1 167 GLU 1.88 1.78 1 168 ARG 1.35 1.00 1 169 ILE 0.88 0.70 1 170 THR 0.23 0.38 1 171 ARG 0.97 1.63 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26026_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -3.80 _LACS_plot.Line_1_terminator_val_y_1 2.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.81 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.80 _LACS_plot.Line_2_terminator_val_x_2 6.73 _LACS_plot.Line_2_terminator_val_y_2 -1.44 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 138 ASP -2.64 2.47 0 39 PHE -3.80 2.57 0 10 LEU 4.34 -0.96 1 11 LYS 5.20 -0.62 1 12 THR 5.56 -0.94 1 13 ARG 3.21 0.47 1 14 VAL 6.74 -1.61 1 15 ALA 4.21 -1.30 1 16 ALA 3.25 -1.03 1 17 LEU 2.18 0.21 1 18 HIS 5.63 -0.30 1 19 THR 4.71 -0.95 1 20 LEU 1.15 1.08 1 21 ILE 2.18 -1.88 1 24 LEU -1.20 0.39 1 25 ALA 2.78 0.01 1 26 SER 0.90 -0.23 1 27 GLN 1.18 0.22 1 30 PHE -3.60 1.88 1 31 SER 2.61 -0.97 1 33 ARG -0.07 -0.71 1 34 PHE 0.84 -0.35 1 35 ASP 0.30 -1.20 1 36 ARG 3.16 -0.77 1 37 GLN 3.29 -1.54 1 38 LEU -0.43 0.56 1 40 ALA 0.03 0.52 1 42 ARG 0.57 -1.34 1 44 ALA -1.71 1.65 1 45 ARG -3.30 1.18 1 46 LEU 4.49 -0.77 1 48 ASP 3.85 -0.52 1 49 TYR 4.00 -1.19 1 50 LEU 4.21 -1.17 1 51 THR 6.43 -1.23 1 52 GLU 4.97 -1.13 1 53 ALA 5.00 -2.07 1 54 GLU 4.65 -0.93 1 55 GLU 3.71 -0.70 1 56 SER 4.19 -0.25 1 57 LEU 4.86 -1.56 1 58 THR 6.23 -1.33 1 59 HIS 2.02 1.24 1 61 GLU 4.39 -0.43 1 62 ALA 4.28 -1.32 1 63 ALA 3.68 -0.85 1 64 VAL 5.29 -1.28 1 65 ASN 3.45 -0.59 1 66 GLN 0.69 -0.02 1 68 ASP -0.94 -0.93 1 69 ALA 3.22 -0.05 1 70 THR 5.40 -1.20 1 71 ARG 2.98 -0.29 1 72 VAL 5.78 -0.91 1 73 ALA 3.95 -1.05 1 74 TRP 3.84 -0.19 1 75 LEU 1.59 1.08 1 76 ALA 4.30 -0.96 1 77 GLU 3.22 -0.46 1 78 ARG 3.99 -1.41 1 79 LEU 3.28 -0.95 1 80 ALA 4.86 -1.35 1 81 ALA 3.36 -0.83 1 82 GLN 5.31 -1.29 1 83 ILE 5.07 -0.42 1 84 GLU 3.54 -0.58 1 85 ALA 3.02 -0.26 1 86 LEU 2.66 0.36 1 87 GLN 5.19 -1.08 1 88 ARG 4.04 -0.61 1 89 GLU 1.95 -0.37 1 90 ALA 2.78 -0.78 1 91 ALA 2.60 -0.65 1 92 THR 3.15 -0.49 1 93 ALA 1.59 0.10 1 94 THR 2.29 -0.30 1 95 LEU 1.35 -0.24 1 96 ARG 1.05 -0.55 1 97 ARG 2.43 -0.44 1 98 HIS 0.27 1.44 1 99 GLU 0.21 0.30 1 100 ASN 0.38 -0.03 1 101 ALA 0.63 0.08 1 102 HIS 2.23 1.15 1 103 LEU 5.85 -0.49 1 108 LEU 3.20 -0.36 1 109 HIS 4.50 1.10 1 110 ALA 3.60 -1.12 1 111 ARG 3.23 -0.81 1 112 LEU 4.37 -0.87 1 113 ALA 3.77 -1.21 1 121 ARG 4.22 -0.69 1 122 LEU 2.42 0.48 1 123 LEU 3.53 -0.40 1 124 ALA 4.10 -1.26 1 125 MET 2.69 1.19 1 126 LYS 4.72 -0.15 1 127 ASN 3.71 -0.18 1 131 GLN 4.65 -1.29 1 132 ARG 2.83 0.04 1 134 ALA 2.99 -1.06 1 135 GLU 1.25 0.49 1 136 ARG -0.97 1.03 1 137 HIS 2.75 -2.21 1 140 GLN 4.62 -1.51 1 141 LEU 1.90 0.36 1 142 ALA 4.44 -1.51 1 145 ILE 6.47 -0.80 1 146 THR 6.01 -1.02 1 147 ALA 3.71 -1.06 1 149 ASP 2.64 -0.21 1 150 GLU 4.00 -0.69 1 151 ARG 3.67 0.07 1 152 LEU 3.66 -0.25 1 153 THR 6.67 -1.33 1 156 ARG 5.99 -1.35 1 157 THR 6.02 -1.18 1 158 ALA 5.25 -2.32 1 160 ALA 3.93 -1.15 1 164 ARG 3.52 -0.70 1 165 ALA 2.67 -0.42 1 166 LEU 1.84 0.16 1 167 GLU 1.88 -0.10 1 168 ARG 1.35 -0.35 1 169 ILE 0.88 -0.18 1 170 THR 0.23 0.15 1 171 ARG 0.97 0.66 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26026_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -3.80 _LACS_plot.Line_1_terminator_val_y_1 0.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.03 _LACS_plot.Line_2_terminator_val_x_2 6.73 _LACS_plot.Line_2_terminator_val_y_2 -0.54 _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 137 HIS 2.75 -1.28 0 11 LYS 5.20 -0.41 1 12 THR 5.56 -0.37 1 13 ARG 3.21 -0.21 1 14 VAL 6.74 -0.54 1 15 ALA 4.21 -0.13 1 16 ALA 3.25 -0.41 1 17 LEU 2.18 -0.28 1 18 HIS 5.63 -0.72 1 19 THR 4.71 -0.32 1 20 LEU 1.15 -0.21 1 21 ILE 2.18 -0.33 1 24 LEU -1.20 0.09 1 25 ALA 2.78 -0.68 1 26 SER 0.90 -0.27 1 30 PHE -3.60 -0.04 1 33 ARG -0.07 -0.04 1 34 PHE 0.84 -0.25 1 35 ASP 0.30 -0.10 1 36 ARG 3.16 -0.75 1 37 GLN 3.29 -0.12 1 38 LEU -0.43 -0.46 1 39 PHE -3.80 0.03 1 40 ALA 0.03 0.04 1 42 ARG 0.57 0.11 1 44 ALA -1.71 0.20 1 45 ARG -3.30 0.64 1 46 LEU 4.49 -0.29 1 48 ASP 3.85 -0.29 1 49 TYR 4.00 -0.60 1 50 LEU 4.21 -0.26 1 51 THR 6.43 -0.39 1 52 GLU 4.97 -0.17 1 53 ALA 5.00 0.01 1 54 GLU 4.65 -0.45 1 55 GLU 3.71 -0.33 1 56 SER 4.19 -0.66 1 57 LEU 4.86 -0.27 1 58 THR 6.23 -0.11 1 61 GLU 4.39 -0.62 1 62 ALA 4.28 -0.11 1 63 ALA 3.68 -0.14 1 64 VAL 5.29 -0.60 1 65 ASN 3.45 -0.30 1 66 GLN 0.69 -0.09 1 68 ASP -0.94 0.13 1 69 ALA 3.22 -0.39 1 70 THR 5.40 -0.35 1 71 ARG 2.98 -0.19 1 72 VAL 5.78 -0.80 1 73 ALA 3.95 -0.32 1 74 TRP 3.84 -0.37 1 75 LEU 1.59 -0.54 1 76 ALA 4.30 -0.47 1 77 GLU 3.22 -0.44 1 78 ARG 3.99 -0.54 1 79 LEU 3.28 -0.09 1 80 ALA 4.86 -0.50 1 81 ALA 3.36 -0.20 1 82 GLN 5.31 -0.76 1 83 ILE 5.07 -0.63 1 84 GLU 3.54 -0.40 1 85 ALA 3.02 -0.16 1 86 LEU 2.66 -0.29 1 87 GLN 5.19 -0.62 1 88 ARG 4.04 -0.28 1 89 GLU 1.95 -0.17 1 90 ALA 2.78 -0.40 1 91 ALA 2.60 -0.15 1 92 THR 3.15 -0.27 1 93 ALA 1.59 -0.16 1 94 THR 2.29 -0.27 1 95 LEU 1.35 -0.12 1 97 ARG 2.43 -0.13 1 98 HIS 0.27 -0.20 1 99 GLU 0.21 -0.18 1 100 ASN 0.38 -0.12 1 101 ALA 0.63 -0.16 1 102 HIS 2.23 -0.17 1 103 LEU 5.85 -0.59 1 108 LEU 3.20 -0.34 1 109 HIS 4.50 -0.66 1 110 ALA 3.60 -0.18 1 111 ARG 3.23 -0.45 1 112 LEU 4.37 -0.33 1 121 ARG 4.22 -0.26 1 122 LEU 2.42 -0.37 1 123 LEU 3.53 -0.44 1 124 ALA 4.10 -0.14 1 125 MET 2.69 -0.35 1 126 LYS 4.72 -0.62 1 131 GLN 4.65 -0.26 1 134 ALA 2.99 -0.42 1 135 GLU 1.25 -0.32 1 136 ARG -0.97 -0.12 1 138 ASP -2.64 0.02 1 140 GLN 4.62 -0.25 1 141 LEU 1.90 -0.19 1 142 ALA 4.44 -0.71 1 145 ILE 6.47 -0.76 1 146 THR 6.01 -0.37 1 149 ASP 2.64 -0.17 1 150 GLU 4.00 -0.28 1 151 ARG 3.67 -0.40 1 152 LEU 3.66 -0.48 1 153 THR 6.67 -0.53 1 156 ARG 5.99 -0.43 1 157 THR 6.02 -0.14 1 164 ARG 3.52 -0.24 1 165 ALA 2.67 -0.20 1 167 GLU 1.88 -0.31 1 168 ARG 1.35 -0.11 1 169 ILE 0.88 0.05 1 170 THR 0.23 -0.07 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26026_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -3.80 _LACS_plot.Line_1_terminator_val_y_1 -1.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.44 _LACS_plot.Line_2_terminator_val_x_2 6.73 _LACS_plot.Line_2_terminator_val_y_2 2.82 _LACS_plot.Y_axis_chem_shift_offset -0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 38 LEU -0.43 -3.01 0 45 ARG -3.30 1.66 0 10 LEU 4.34 -0.13 1 11 LYS 5.20 3.31 1 12 THR 5.56 2.43 1 13 ARG 3.21 3.33 1 14 VAL 6.74 1.10 1 15 ALA 4.21 1.97 1 16 ALA 3.25 -0.27 1 17 LEU 2.18 1.11 1 18 HIS 5.63 3.83 1 19 THR 4.71 0.81 1 20 LEU 1.15 0.00 1 21 ILE 2.18 0.16 1 24 LEU -1.20 0.46 1 25 ALA 2.78 0.82 1 26 SER 0.90 -0.17 1 30 PHE -3.60 -0.40 1 33 ARG -0.07 -0.32 1 34 PHE 0.84 -0.28 1 35 ASP 0.30 -0.76 1 36 ARG 3.16 1.41 1 37 GLN 3.29 0.76 1 39 PHE -3.80 -0.98 1 40 ALA 0.03 2.10 1 42 ARG 0.57 0.81 1 44 ALA -1.71 -1.06 1 46 LEU 4.49 1.56 1 48 ASP 3.85 1.86 1 49 TYR 4.00 1.66 1 50 LEU 4.21 0.23 1 51 THR 6.43 1.39 1 52 GLU 4.97 1.96 1 53 ALA 5.00 1.71 1 54 GLU 4.65 3.42 1 55 GLU 3.71 2.79 1 56 SER 4.19 1.73 1 57 LEU 4.86 0.41 1 58 THR 6.23 3.15 1 61 GLU 4.39 1.80 1 62 ALA 4.28 1.04 1 63 ALA 3.68 2.13 1 64 VAL 5.29 3.41 1 65 ASN 3.45 1.84 1 66 GLN 0.69 0.84 1 68 ASP -0.94 -0.87 1 69 ALA 3.22 2.63 1 70 THR 5.40 1.77 1 71 ARG 2.98 1.83 1 72 VAL 5.78 0.41 1 73 ALA 3.95 2.42 1 74 TRP 3.84 3.05 1 75 LEU 1.59 1.57 1 76 ALA 4.30 2.17 1 77 GLU 3.22 2.37 1 78 ARG 3.99 1.81 1 79 LEU 3.28 0.85 1 80 ALA 4.86 1.98 1 81 ALA 3.36 3.17 1 82 GLN 5.31 2.71 1 83 ILE 5.07 1.41 1 84 GLU 3.54 2.34 1 85 ALA 3.02 3.49 1 86 LEU 2.66 0.72 1 87 GLN 5.19 2.97 1 88 ARG 4.04 3.01 1 89 GLU 1.95 2.18 1 90 ALA 2.78 -0.20 1 91 ALA 2.60 1.66 1 92 THR 3.15 0.88 1 93 ALA 1.59 1.12 1 94 THR 2.29 0.37 1 95 LEU 1.35 0.05 1 97 ARG 2.43 0.23 1 98 HIS 0.27 1.52 1 99 GLU 0.21 -0.24 1 100 ASN 0.38 0.04 1 101 ALA 0.63 -0.57 1 102 HIS 2.23 4.15 1 108 LEU 3.20 0.93 1 109 HIS 4.50 3.98 1 110 ALA 3.60 2.15 1 111 ARG 3.23 1.30 1 112 LEU 4.37 0.40 1 121 ARG 4.22 2.99 1 122 LEU 2.42 1.92 1 123 LEU 3.53 1.63 1 124 ALA 4.10 3.45 1 125 MET 2.69 2.32 1 126 LYS 4.72 0.88 1 131 GLN 4.65 2.77 1 134 ALA 2.99 1.03 1 135 GLU 1.25 0.76 1 136 ARG -0.97 -1.00 1 137 HIS 2.75 0.23 1 140 GLN 4.62 3.06 1 141 LEU 1.90 1.14 1 142 ALA 4.44 2.47 1 145 ILE 6.47 1.42 1 146 THR 6.01 1.92 1 149 ASP 2.64 3.02 1 150 GLU 4.00 2.96 1 151 ARG 3.67 3.36 1 152 LEU 3.66 1.07 1 153 THR 6.67 2.41 1 156 ARG 5.99 3.41 1 157 THR 6.02 0.93 1 158 ALA 5.25 3.50 1 164 ARG 3.52 2.34 1 165 ALA 2.67 2.23 1 167 GLU 1.88 0.92 1 168 ARG 1.35 0.54 1 169 ILE 0.88 -0.07 1 170 THR 0.23 -1.14 1 stop_ save_