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 bmr11062_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.52 _LACS_plot.Line_1_terminator_val_y_1 -2.36 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.45 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.58 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 5.40 _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 105 GLU -2.97 2.82 0 11 ASN 1.44 0.46 1 12 PHE 1.78 1.70 1 13 GLN -2.81 -2.61 1 14 GLN 4.19 4.39 1 15 ASP 4.05 2.13 1 16 LYS 2.27 0.25 1 17 PHE -2.89 -0.40 1 18 LEU -0.26 -0.24 1 20 ARG 0.99 0.92 1 21 TRP -7.11 -2.16 1 22 TYR -2.30 -1.12 1 23 SER -0.11 -1.24 1 24 ALA -4.31 -0.55 1 26 LEU -7.52 -0.82 1 27 ALA -6.90 -1.71 1 28 SER -3.27 -2.18 1 29 ASN -0.41 -1.45 1 30 SER -0.82 0.13 1 32 TRP 3.54 2.58 1 33 PHE 3.74 3.59 1 34 ARG 4.35 3.46 1 35 GLU 1.33 1.40 1 36 LYS -0.28 -0.85 1 37 LYS 5.09 3.56 1 38 ALA 0.70 0.85 1 39 VAL -0.59 -1.86 1 40 LEU -1.61 -0.74 1 41 TYR -5.15 -1.20 1 42 MET -0.14 2.31 1 43 ALA -5.98 -2.47 1 44 LYS -2.29 -0.50 1 45 THR -1.96 0.27 1 46 VAL -1.03 -0.67 1 47 VAL 0.20 -0.21 1 48 ALA -4.04 -0.79 1 50 SER -4.32 -2.68 1 51 THR 3.76 2.74 1 52 GLU 0.86 -0.18 1 55 LEU -6.88 -1.68 1 56 ASN -2.72 -0.78 1 57 LEU -0.52 -0.39 1 58 THR 1.52 0.70 1 59 SER -2.80 -1.06 1 60 THR -1.13 -0.08 1 61 PHE -5.73 -3.00 1 62 LEU -1.88 -0.65 1 63 ARG -1.41 0.24 1 64 LYS 5.20 2.30 1 65 ASN 1.00 0.96 1 66 GLN -4.71 -1.75 1 68 GLU -5.16 -1.69 1 69 THR -3.07 -1.07 1 70 LYS -5.31 -1.43 1 71 ILE -2.44 -0.71 1 72 MET -4.72 -0.73 1 73 VAL -0.55 -0.12 1 74 LEU -1.92 -1.98 1 75 GLN -0.82 -0.37 1 77 ALA -2.47 -1.57 1 79 ALA -0.10 0.08 1 82 HIS -1.41 -0.54 1 83 TYR -6.90 -1.01 1 84 THR -3.87 -1.33 1 85 TYR -4.36 -1.51 1 86 SER -2.02 -1.88 1 87 SER -0.20 -0.35 1 89 HIS 2.82 1.68 1 90 SER -0.32 0.29 1 92 SER -0.71 -0.17 1 93 ILE -0.79 -0.53 1 94 HIS 0.04 -1.08 1 95 SER -1.82 -1.19 1 96 VAL -2.95 -0.75 1 97 SER -4.01 -2.01 1 98 VAL 3.66 0.01 1 99 VAL 3.18 3.00 1 100 GLU -5.86 -1.65 1 101 ALA -2.75 -0.28 1 106 TYR -3.34 0.28 1 107 ALA -4.45 -0.83 1 108 LEU -2.76 -1.37 1 109 LEU -3.47 -0.71 1 110 PHE -5.17 -1.20 1 111 SER -4.23 -2.51 1 112 ARG -5.92 -2.50 1 114 THR -1.32 -0.48 1 115 LYS -0.76 0.66 1 119 GLN 2.93 2.17 1 120 ASP 0.72 0.15 1 121 PHE 1.23 1.53 1 122 ARG -5.46 -1.66 1 123 MET -5.22 -0.50 1 124 ALA -5.74 -2.21 1 125 THR -1.16 0.47 1 126 LEU -2.27 -2.18 1 127 TYR -3.92 -2.62 1 128 SER -5.18 -2.95 1 129 ARG 0.31 0.96 1 130 THR -3.74 -2.30 1 131 GLN 2.57 1.91 1 132 THR -1.60 -1.39 1 133 LEU -3.86 -1.69 1 134 LYS -0.58 -0.17 1 135 ASP 5.29 4.05 1 136 GLU 4.01 2.75 1 137 LEU 2.29 1.56 1 138 LYS 5.84 4.22 1 139 GLU 4.02 2.54 1 140 LYS 4.36 3.34 1 141 PHE 3.47 3.85 1 142 THR 7.17 5.70 1 143 THR 6.35 5.19 1 144 PHE 3.36 3.53 1 145 SER 7.19 5.73 1 146 LYS 3.79 2.71 1 147 ALA 3.60 1.76 1 148 GLN -0.14 -2.61 1 150 LEU -0.04 -1.60 1 151 THR -3.07 -1.56 1 152 GLU 4.67 3.59 1 153 GLU 2.69 1.49 1 154 ASP -0.63 -0.26 1 155 ILE -1.18 0.39 1 156 VAL -5.08 -1.75 1 157 PHE 1.92 0.66 1 158 LEU -0.07 -0.03 1 162 ASP 1.04 -0.14 1 163 LYS -3.16 -0.70 1 165 ILE -0.52 0.43 1 166 GLN 1.99 1.23 1 167 GLU 0.75 1.30 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11062_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.52 _LACS_plot.Line_1_terminator_val_y_1 5.16 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.55 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.42 _LACS_plot.Line_2_terminator_val_x_2 7.19 _LACS_plot.Line_2_terminator_val_y_2 -1.79 _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 105 GLU -2.97 5.79 0 11 ASN 1.44 -0.98 1 12 PHE 1.78 -0.08 1 13 GLN -2.81 0.20 1 14 GLN 4.19 0.20 1 15 ASP 4.05 -1.92 1 16 LYS 2.27 -2.02 1 17 PHE -2.89 2.49 1 18 LEU -0.26 0.02 1 20 ARG 0.99 -0.07 1 21 TRP -7.11 4.95 1 22 TYR -2.30 1.18 1 23 SER -0.11 -1.13 1 24 ALA -4.31 3.76 1 26 LEU -7.52 6.70 1 27 ALA -6.90 5.19 1 28 SER -3.27 1.09 1 29 ASN -0.41 -1.04 1 30 SER -0.82 0.95 1 32 TRP 3.54 -0.96 1 33 PHE 3.74 -0.15 1 34 ARG 4.35 -0.89 1 35 GLU 1.33 0.07 1 36 LYS -0.28 -0.57 1 37 LYS 5.09 -1.53 1 38 ALA 0.70 0.15 1 39 VAL -0.59 -1.27 1 40 LEU -1.61 0.87 1 41 TYR -5.15 3.95 1 42 MET -0.14 2.45 1 43 ALA -5.98 3.51 1 44 LYS -2.29 1.79 1 45 THR -1.96 2.23 1 46 VAL -1.03 0.36 1 47 VAL 0.20 -0.41 1 48 ALA -4.04 3.25 1 50 SER -4.32 1.64 1 51 THR 3.76 -1.02 1 52 GLU 0.86 -1.04 1 55 LEU -6.88 5.20 1 56 ASN -2.72 1.94 1 57 LEU -0.52 0.13 1 58 THR 1.52 -0.82 1 59 SER -2.80 1.74 1 60 THR -1.13 1.05 1 61 PHE -5.73 2.73 1 62 LEU -1.88 1.23 1 63 ARG -1.41 1.65 1 64 LYS 5.20 -2.90 1 65 ASN 1.00 -0.04 1 66 GLN -4.71 2.96 1 68 GLU -5.16 3.47 1 69 THR -3.07 2.00 1 70 LYS -5.31 3.88 1 71 ILE -2.44 1.73 1 72 MET -4.72 3.99 1 73 VAL -0.55 0.43 1 74 LEU -1.92 -0.06 1 75 GLN -0.82 0.45 1 77 ALA -2.47 0.90 1 79 ALA -0.10 0.18 1 82 HIS -1.41 0.87 1 83 TYR -6.90 5.89 1 84 THR -3.87 2.54 1 85 TYR -4.36 2.85 1 86 SER -2.02 0.14 1 87 SER -0.20 -0.15 1 89 HIS 2.82 -1.14 1 90 SER -0.32 0.61 1 92 SER -0.71 0.54 1 93 ILE -0.79 0.26 1 94 HIS 0.04 -1.12 1 95 SER -1.82 0.63 1 96 VAL -2.95 2.20 1 97 SER -4.01 2.00 1 98 VAL 3.66 -3.65 1 99 VAL 3.18 -0.18 1 100 GLU -5.86 4.21 1 101 ALA -2.75 2.47 1 106 TYR -3.34 3.62 1 107 ALA -4.45 3.62 1 108 LEU -2.76 1.39 1 109 LEU -3.47 2.76 1 110 PHE -5.17 3.97 1 111 SER -4.23 1.72 1 112 ARG -5.92 3.42 1 114 THR -1.32 0.84 1 115 LYS -0.76 1.42 1 119 GLN 2.93 -0.76 1 120 ASP 0.72 -0.57 1 121 PHE 1.23 0.30 1 122 ARG -5.46 3.80 1 123 MET -5.22 4.72 1 124 ALA -5.74 3.53 1 125 THR -1.16 1.63 1 126 LEU -2.27 0.09 1 127 TYR -3.92 1.30 1 128 SER -5.18 2.23 1 129 ARG 0.31 0.65 1 130 THR -3.74 1.44 1 131 GLN 2.57 -0.66 1 132 THR -1.60 0.21 1 133 LEU -3.86 2.17 1 134 LYS -0.58 0.41 1 135 ASP 5.29 -1.24 1 136 GLU 4.01 -1.26 1 137 LEU 2.29 -0.73 1 138 LYS 5.84 -1.62 1 139 GLU 4.02 -1.48 1 140 LYS 4.36 -1.02 1 141 PHE 3.47 0.38 1 142 THR 7.17 -1.47 1 143 THR 6.35 -1.16 1 144 PHE 3.36 0.17 1 145 SER 7.19 -1.46 1 146 LYS 3.79 -1.08 1 147 ALA 3.60 -1.84 1 148 GLN -0.14 -2.47 1 150 LEU -0.04 -1.56 1 151 THR -3.07 1.51 1 152 GLU 4.67 -1.08 1 153 GLU 2.69 -1.20 1 154 ASP -0.63 0.37 1 155 ILE -1.18 1.57 1 156 VAL -5.08 3.33 1 157 PHE 1.92 -1.26 1 158 LEU -0.07 0.04 1 162 ASP 1.04 -1.18 1 163 LYS -3.16 2.46 1 165 ILE -0.52 0.95 1 166 GLN 1.99 -0.76 1 167 GLU 0.75 0.55 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11062_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.52 _LACS_plot.Line_1_terminator_val_y_1 1.01 _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 7.19 _LACS_plot.Line_2_terminator_val_y_2 -0.77 _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 59 SER -2.80 1.57 0 105 GLU -2.97 -0.63 0 21 TRP -7.11 0.02 0 106 TYR -3.34 1.74 0 11 ASN 1.44 -0.20 1 12 PHE 1.78 -0.43 1 13 GLN -2.81 -0.04 1 14 GLN 4.19 -0.84 1 15 ASP 4.05 -0.41 1 16 LYS 2.27 -0.26 1 17 PHE -2.89 0.20 1 18 LEU -0.26 -0.43 1 20 ARG 0.99 0.16 1 22 TYR -2.30 1.06 1 23 SER -0.11 0.24 1 24 ALA -4.31 0.56 1 26 LEU -7.52 1.11 1 27 ALA -6.90 1.25 1 28 SER -3.27 0.15 1 29 ASN -0.41 0.07 1 30 SER -0.82 -0.01 1 32 TRP 3.54 -0.33 1 33 PHE 3.74 -1.02 1 34 ARG 4.35 -0.62 1 35 GLU 1.33 -0.25 1 36 LYS -0.28 -0.10 1 37 LYS 5.09 -0.92 1 38 ALA 0.70 -0.11 1 39 VAL -0.59 0.35 1 40 LEU -1.61 0.16 1 41 TYR -5.15 0.29 1 42 MET -0.14 -0.16 1 43 ALA -5.98 0.94 1 44 LYS -2.29 0.47 1 45 THR -1.96 0.72 1 46 VAL -1.03 0.39 1 47 VAL 0.20 0.58 1 48 ALA -4.04 0.50 1 50 SER -4.32 0.44 1 51 THR 3.76 -0.21 1 52 GLU 0.86 0.12 1 55 LEU -6.88 0.78 1 56 ASN -2.72 0.41 1 57 LEU -0.52 0.56 1 58 THR 1.52 0.59 1 60 THR -1.13 1.11 1 61 PHE -5.73 0.65 1 62 LEU -1.88 0.54 1 63 ARG -1.41 0.30 1 64 LYS 5.20 -0.45 1 65 ASN 1.00 -0.24 1 66 GLN -4.71 0.38 1 68 GLU -5.16 0.22 1 69 THR -3.07 1.37 1 70 LYS -5.31 0.53 1 71 ILE -2.44 0.93 1 72 MET -4.72 0.30 1 73 VAL -0.55 0.62 1 74 LEU -1.92 0.75 1 75 GLN -0.82 0.37 1 77 ALA -2.47 0.37 1 79 ALA -0.10 0.00 1 82 HIS -1.41 0.44 1 83 TYR -6.90 0.91 1 84 THR -3.87 1.09 1 85 TYR -4.36 0.69 1 86 SER -2.02 0.09 1 87 SER -0.20 -0.26 1 89 HIS 2.82 -0.31 1 90 SER -0.32 -0.05 1 92 SER -0.71 0.05 1 93 ILE -0.79 0.24 1 94 HIS 0.04 0.58 1 95 SER -1.82 0.63 1 96 VAL -2.95 0.89 1 97 SER -4.01 1.07 1 98 VAL 3.66 -0.09 1 99 VAL 3.18 -0.40 1 100 GLU -5.86 0.38 1 101 ALA -2.75 0.05 1 107 ALA -4.45 0.40 1 108 LEU -2.76 0.85 1 109 LEU -3.47 1.07 1 110 PHE -5.17 1.07 1 111 SER -4.23 1.23 1 112 ARG -5.92 0.81 1 114 THR -1.32 0.34 1 115 LYS -0.76 0.14 1 119 GLN 2.93 -0.27 1 120 ASP 0.72 -0.03 1 121 PHE 1.23 -0.14 1 122 ARG -5.46 0.32 1 123 MET -5.22 0.68 1 124 ALA -5.74 1.48 1 125 THR -1.16 0.62 1 126 LEU -2.27 0.65 1 127 TYR -3.92 1.20 1 128 SER -5.18 1.56 1 129 ARG 0.31 -0.16 1 130 THR -3.74 0.53 1 131 GLN 2.57 -0.68 1 132 THR -1.60 -0.04 1 133 LEU -3.86 0.29 1 134 LYS -0.58 0.05 1 135 ASP 5.29 -0.50 1 136 GLU 4.01 -0.21 1 137 LEU 2.29 -0.29 1 138 LYS 5.84 -0.32 1 139 GLU 4.02 -0.17 1 140 LYS 4.36 -0.23 1 141 PHE 3.47 -0.18 1 142 THR 7.17 -0.63 1 143 THR 6.35 -0.59 1 144 PHE 3.36 -0.41 1 145 SER 7.19 -1.19 1 146 LYS 3.79 0.11 1 147 ALA 3.60 -0.24 1 148 GLN -0.14 -0.20 1 150 LEU -0.04 0.20 1 151 THR -3.07 0.16 1 152 GLU 4.67 -0.44 1 153 GLU 2.69 -0.13 1 154 ASP -0.63 0.23 1 155 ILE -1.18 0.20 1 156 VAL -5.08 0.42 1 157 PHE 1.92 0.39 1 158 LEU -0.07 -0.28 1 162 ASP 1.04 -0.17 1 163 LYS -3.16 0.27 1 165 ILE -0.52 0.38 1 166 GLN 1.99 -0.04 1 167 GLU 0.75 -0.28 1 stop_ save_