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 bmr25730_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.04 _LACS_plot.Line_1_terminator_val_y_1 -2.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.53 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.38 _LACS_plot.Line_2_terminator_val_x_2 8.74 _LACS_plot.Line_2_terminator_val_y_2 6.51 _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 97 HIS 3.58 5.12 0 160 TYR 4.41 0.55 0 96 ILE 5.59 1.30 0 45 LYS -5.52 -0.52 0 114 MET -5.47 -0.44 0 10 VAL -2.36 -1.06 1 11 VAL 0.42 -0.09 1 12 VAL -5.44 -2.98 1 14 ALA -0.08 0.12 1 15 VAL 3.31 2.22 1 17 VAL 1.24 0.47 1 19 LYS 8.74 5.02 1 20 SER 5.48 2.92 1 21 ALA 2.35 1.85 1 22 LEU 2.77 3.76 1 23 THR 8.10 6.39 1 24 ILE 6.15 3.84 1 25 GLN 2.96 3.33 1 26 LEU 4.68 3.01 1 27 ILE 2.93 1.12 1 28 GLN -1.43 -0.48 1 29 ASN 3.15 1.36 1 30 HIS -4.10 -0.37 1 31 PHE -2.88 -2.65 1 32 VAL -1.94 -2.22 1 33 ASP -0.21 0.32 1 34 GLU -1.83 -1.01 1 35 TYR -0.08 0.98 1 36 ASP -0.49 0.38 1 38 THR -0.02 0.38 1 39 ILE 1.66 1.08 1 40 GLU -5.09 -2.20 1 41 ASP -4.41 -1.70 1 42 SER -4.99 -2.66 1 43 TYR -5.50 -0.94 1 44 ARG -4.99 -1.85 1 46 GLN -0.54 -0.13 1 47 VAL -5.97 -2.79 1 48 VAL 0.11 -0.40 1 49 ILE -2.25 -0.92 1 50 ASP 2.90 1.10 1 52 GLU -3.84 -1.86 1 53 THR 3.04 1.81 1 55 LEU -3.69 -1.64 1 56 LEU -1.40 -1.58 1 57 ASP -2.34 -1.24 1 58 ILE -4.32 -1.05 1 59 LEU -1.38 -1.00 1 60 ASP -1.23 -1.06 1 61 THR -2.19 -0.17 1 62 ALA -2.69 -0.84 1 64 GLN 0.97 0.75 1 65 GLU 1.33 0.99 1 66 GLU -0.58 -0.06 1 67 TYR 0.67 0.37 1 68 SER -1.99 -1.58 1 69 ALA 3.15 2.40 1 70 MET 2.61 2.49 1 71 ARG 4.50 3.14 1 72 ASP 3.46 3.41 1 73 GLN 4.75 3.52 1 74 TYR 4.02 3.36 1 75 MET 4.38 3.01 1 76 ARG 3.71 3.63 1 77 THR -0.01 0.38 1 79 GLU -2.24 0.25 1 81 PHE -4.21 -0.91 1 82 LEU -2.00 -1.09 1 84 VAL -1.51 -0.95 1 85 PHE -3.28 -2.36 1 86 ALA -5.35 -2.75 1 87 ILE 2.82 2.25 1 88 ASN -0.19 -0.97 1 89 ASN -1.74 -0.94 1 90 THR 6.47 5.04 1 91 LYS 4.96 3.25 1 92 SER 3.71 3.48 1 93 PHE 1.51 2.05 1 94 GLU 3.23 2.48 1 95 ASP 1.72 1.97 1 98 GLN 4.20 2.68 1 99 TYR 5.84 4.89 1 100 ARG 6.03 3.93 1 101 GLU 3.29 2.44 1 102 GLN 4.47 3.34 1 103 ILE 5.16 4.32 1 104 LYS 4.16 3.45 1 105 ARG 3.93 2.99 1 106 VAL 4.03 2.97 1 107 LYS 0.65 -1.14 1 108 ASP 1.61 0.34 1 109 SER -2.69 -1.35 1 110 ASP -0.46 0.12 1 111 ASP -1.01 -1.02 1 112 VAL -2.96 -0.74 1 115 VAL -5.49 -1.25 1 116 LEU -2.73 -1.19 1 117 VAL -4.31 -2.13 1 119 ASN -3.70 -1.55 1 120 LYS 4.26 1.00 1 122 ASP -0.28 -0.17 1 123 LEU -0.07 -0.39 1 124 ALA 0.47 0.53 1 125 ALA 0.11 -1.25 1 126 ARG -2.48 -0.44 1 127 THR 0.69 -0.09 1 128 VAL -1.10 -0.85 1 129 GLU -0.55 -0.37 1 130 SER 5.83 4.60 1 131 ARG 4.12 2.84 1 132 GLN 3.13 2.71 1 133 ALA 2.77 2.36 1 134 GLN 4.06 3.22 1 135 ASP 4.34 3.05 1 136 LEU 3.38 2.69 1 137 ALA 4.30 3.37 1 138 ARG 4.63 3.39 1 139 SER 4.39 3.20 1 140 TYR -3.10 -3.11 1 142 ILE -0.04 -0.20 1 144 TYR -5.21 -2.92 1 145 ILE -5.20 -1.73 1 146 GLU -0.67 -0.94 1 147 THR -6.04 -2.26 1 148 SER -1.77 -1.10 1 149 ALA 2.58 2.16 1 150 LYS 1.27 2.03 1 151 THR -0.25 -0.42 1 152 ARG 3.98 3.56 1 153 GLN 2.50 1.68 1 155 VAL 7.58 6.08 1 156 GLU 4.98 3.74 1 157 ASP 4.13 3.10 1 158 ALA 5.43 3.76 1 159 PHE 5.14 5.13 1 161 THR 8.04 5.92 1 162 LEU 4.83 2.88 1 163 VAL 7.04 5.09 1 164 ARG 6.19 4.91 1 165 GLU 1.92 2.23 1 166 ILE 5.44 4.81 1 167 ARG 2.60 2.96 1 168 GLN 0.44 0.27 1 169 HIS 2.27 3.13 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25730_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.04 _LACS_plot.Line_1_terminator_val_y_1 3.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.47 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.62 _LACS_plot.Line_2_terminator_val_x_2 8.74 _LACS_plot.Line_2_terminator_val_y_2 -2.23 _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 97 HIS 3.58 1.54 0 160 TYR 4.41 -3.86 0 96 ILE 5.59 -4.29 0 45 LYS -5.52 5.00 0 114 MET -5.47 5.03 0 10 VAL -2.36 1.30 1 11 VAL 0.42 -0.51 1 12 VAL -5.44 2.46 1 14 ALA -0.08 0.20 1 15 VAL 3.31 -1.09 1 17 VAL 1.24 -0.77 1 19 LYS 8.74 -3.72 1 20 SER 5.48 -2.56 1 21 ALA 2.35 -0.50 1 22 LEU 2.77 0.99 1 23 THR 8.10 -1.71 1 24 ILE 6.15 -2.31 1 25 GLN 2.96 0.37 1 26 LEU 4.68 -1.67 1 27 ILE 2.93 -1.81 1 28 GLN -1.43 0.95 1 29 ASN 3.15 -1.79 1 30 HIS -4.10 3.73 1 31 PHE -2.88 0.23 1 32 VAL -1.94 -0.28 1 33 ASP -0.21 0.53 1 34 GLU -1.83 0.82 1 35 TYR -0.08 1.06 1 36 ASP -0.49 0.87 1 38 THR -0.02 0.40 1 39 ILE 1.66 -0.58 1 40 GLU -5.09 2.89 1 41 ASP -4.41 2.71 1 42 SER -4.99 2.33 1 43 TYR -5.50 4.56 1 44 ARG -4.99 3.14 1 46 GLN -0.54 0.41 1 47 VAL -5.97 3.18 1 48 VAL 0.11 -0.51 1 49 ILE -2.25 1.33 1 50 ASP 2.90 -1.80 1 52 GLU -3.84 1.98 1 53 THR 3.04 -1.23 1 55 LEU -3.69 2.05 1 56 LEU -1.40 -0.18 1 57 ASP -2.34 1.10 1 58 ILE -4.32 3.27 1 59 LEU -1.38 0.38 1 60 ASP -1.23 0.17 1 61 THR -2.19 2.02 1 62 ALA -2.69 1.85 1 64 GLN 0.97 -0.22 1 65 GLU 1.33 -0.34 1 66 GLU -0.58 0.52 1 67 TYR 0.67 -0.30 1 68 SER -1.99 0.41 1 69 ALA 3.15 -0.75 1 70 MET 2.61 -0.12 1 71 ARG 4.50 -1.36 1 72 ASP 3.46 -0.05 1 73 GLN 4.75 -1.23 1 74 TYR 4.02 -0.66 1 75 MET 4.38 -1.37 1 76 ARG 3.71 -0.08 1 77 THR -0.01 0.39 1 79 GLU -2.24 2.49 1 81 PHE -4.21 3.30 1 82 LEU -2.00 0.91 1 84 VAL -1.51 0.56 1 85 PHE -3.28 0.92 1 86 ALA -5.35 2.60 1 87 ILE 2.82 -0.57 1 88 ASN -0.19 -0.78 1 89 ASN -1.74 0.80 1 90 THR 6.47 -1.43 1 91 LYS 4.96 -1.71 1 92 SER 3.71 -0.23 1 93 PHE 1.51 0.54 1 94 GLU 3.23 -0.75 1 95 ASP 1.72 0.25 1 98 GLN 4.20 -1.52 1 99 TYR 5.84 -0.95 1 100 ARG 6.03 -2.10 1 101 GLU 3.29 -0.85 1 102 GLN 4.47 -1.13 1 103 ILE 5.16 -0.84 1 104 LYS 4.16 -0.71 1 105 ARG 3.93 -0.94 1 106 VAL 4.03 -1.06 1 107 LYS 0.65 -1.79 1 108 ASP 1.61 -1.27 1 109 SER -2.69 1.34 1 110 ASP -0.46 0.58 1 111 ASP -1.01 -0.01 1 112 VAL -2.96 2.22 1 115 VAL -5.49 4.24 1 116 LEU -2.73 1.54 1 117 VAL -4.31 2.18 1 119 ASN -3.70 2.15 1 120 LYS 4.26 -3.26 1 122 ASP -0.28 0.11 1 123 LEU -0.07 -0.32 1 124 ALA 0.47 0.06 1 125 ALA 0.11 -1.36 1 126 ARG -2.48 2.04 1 127 THR 0.69 -0.78 1 128 VAL -1.10 0.25 1 129 GLU -0.55 0.18 1 130 SER 5.83 -1.23 1 131 ARG 4.12 -1.28 1 132 GLN 3.13 -0.42 1 133 ALA 2.77 -0.41 1 134 GLN 4.06 -0.84 1 135 ASP 4.34 -1.29 1 136 LEU 3.38 -0.69 1 137 ALA 4.30 -0.93 1 138 ARG 4.63 -1.24 1 139 SER 4.39 -1.19 1 140 TYR -3.10 -0.01 1 142 ILE -0.04 -0.16 1 144 TYR -5.21 2.29 1 145 ILE -5.20 3.47 1 146 GLU -0.67 -0.27 1 147 THR -6.04 3.78 1 148 SER -1.77 0.67 1 149 ALA 2.58 -0.42 1 150 LYS 1.27 0.76 1 151 THR -0.25 -0.17 1 152 ARG 3.98 -0.42 1 153 GLN 2.50 -0.82 1 155 VAL 7.58 -1.50 1 156 GLU 4.98 -1.24 1 157 ASP 4.13 -1.03 1 158 ALA 5.43 -1.67 1 159 PHE 5.14 -0.01 1 161 THR 8.04 -2.12 1 162 LEU 4.83 -1.95 1 163 VAL 7.04 -1.95 1 164 ARG 6.19 -1.28 1 165 GLU 1.92 0.31 1 166 ILE 5.44 -0.63 1 167 ARG 2.60 0.36 1 168 GLN 0.44 -0.17 1 169 HIS 2.27 0.86 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25730_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.04 _LACS_plot.Line_1_terminator_val_y_1 -2.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.03 _LACS_plot.Line_2_terminator_val_x_2 8.74 _LACS_plot.Line_2_terminator_val_y_2 3.08 _LACS_plot.Y_axis_chem_shift_offset 0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 86 ALA -5.35 1.52 0 147 THR -6.04 1.46 0 10 VAL -2.36 -2.16 1 11 VAL 0.42 -0.84 1 12 VAL -5.44 -3.53 1 14 ALA -0.08 -0.82 1 15 VAL 3.31 1.21 1 17 VAL 1.24 -1.86 1 19 LYS 8.74 3.05 1 20 SER 5.48 1.09 1 21 ALA 2.35 4.21 1 22 LEU 2.77 0.03 1 23 THR 8.10 1.21 1 24 ILE 6.15 2.52 1 25 GLN 2.96 3.33 1 26 LEU 4.68 0.58 1 27 ILE 2.93 1.17 1 28 GLN -1.43 0.32 1 29 ASN 3.15 -1.17 1 30 HIS -4.10 -1.41 1 31 PHE -2.88 -1.23 1 32 VAL -1.94 -2.90 1 33 ASP -0.21 -0.04 1 34 GLU -1.83 -2.35 1 35 TYR -0.08 -0.52 1 38 THR -0.02 -0.21 1 39 ILE 1.66 -1.64 1 40 GLU -5.09 -2.52 1 41 ASP -4.41 -3.09 1 42 SER -4.99 -1.15 1 43 TYR -5.50 -1.61 1 44 ARG -4.99 0.13 1 45 LYS -5.52 -2.83 1 46 GLN -0.54 -0.76 1 47 VAL -5.97 -3.12 1 48 VAL 0.11 -0.85 1 49 ILE -2.25 0.04 1 50 ASP 2.90 -0.15 1 52 GLU -3.84 -0.99 1 53 THR 3.04 -1.13 1 55 LEU -3.69 -2.54 1 56 LEU -1.40 -3.26 1 57 ASP -2.34 -1.34 1 58 ILE -4.32 -1.33 1 59 LEU -1.38 -3.98 1 60 ASP -1.23 -0.82 1 61 THR -2.19 -0.44 1 62 ALA -2.69 -0.09 1 64 GLN 0.97 0.36 1 65 GLU 1.33 0.12 1 66 GLU -0.58 -0.75 1 67 TYR 0.67 -0.31 1 69 ALA 3.15 2.40 1 70 MET 2.61 1.30 1 71 ARG 4.50 1.66 1 72 ASP 3.46 1.67 1 73 GLN 4.75 3.54 1 74 TYR 4.02 2.59 1 75 MET 4.38 0.70 1 76 ARG 3.71 2.84 1 77 THR -0.01 0.85 1 79 GLU -2.24 -0.20 1 81 PHE -4.21 -2.08 1 82 LEU -2.00 -2.82 1 84 VAL -1.51 -1.38 1 85 PHE -3.28 -4.66 1 87 ILE 2.82 -2.16 1 88 ASN -0.19 -0.61 1 90 THR 6.47 1.35 1 91 LYS 4.96 1.44 1 92 SER 3.71 1.23 1 93 PHE 1.51 1.51 1 94 GLU 3.23 3.07 1 95 ASP 1.72 1.26 1 96 ILE 5.59 0.93 1 97 HIS 3.58 3.31 1 98 GLN 4.20 3.13 1 99 TYR 5.84 1.94 1 100 ARG 6.03 1.39 1 101 GLU 3.29 2.28 1 102 GLN 4.47 1.96 1 103 ILE 5.16 0.74 1 104 LYS 4.16 2.86 1 105 ARG 3.93 3.06 1 106 VAL 4.03 1.46 1 107 LYS 0.65 -0.50 1 108 ASP 1.61 -1.70 1 109 SER -2.69 -1.60 1 110 ASP -0.46 -0.25 1 111 ASP -1.01 -1.82 1 114 MET -5.47 -2.42 1 115 VAL -5.49 -3.12 1 116 LEU -2.73 -4.17 1 117 VAL -4.31 -2.58 1 119 ASN -3.70 -0.45 1 120 LYS 4.26 0.73 1 122 ASP -0.28 -0.79 1 123 LEU -0.07 -1.19 1 124 ALA 0.47 0.84 1 125 ALA 0.11 -2.53 1 126 ARG -2.48 -0.16 1 127 THR 0.69 -0.57 1 128 VAL -1.10 -0.53 1 129 GLU -0.55 1.39 1 130 SER 5.83 2.02 1 131 ARG 4.12 1.45 1 132 GLN 3.13 3.00 1 133 ALA 2.77 0.38 1 134 GLN 4.06 3.36 1 135 ASP 4.34 2.57 1 136 LEU 3.38 1.36 1 137 ALA 4.30 2.12 1 138 ARG 4.63 3.73 1 139 SER 4.39 1.54 1 140 TYR -3.10 0.36 1 144 TYR -5.21 -1.38 1 145 ILE -5.20 -3.51 1 146 GLU -0.67 -0.50 1 148 SER -1.77 1.15 1 149 ALA 2.58 -2.00 1 150 LYS 1.27 0.45 1 151 THR -0.25 1.24 1 152 ARG 3.98 -0.77 1 153 GLN 2.50 0.99 1 155 VAL 7.58 0.73 1 156 GLU 4.98 0.64 1 157 ASP 4.13 3.02 1 158 ALA 5.43 -0.17 1 159 PHE 5.14 2.17 1 160 TYR 4.41 3.19 1 161 THR 8.04 0.95 1 162 LEU 4.83 -0.14 1 163 VAL 7.04 1.16 1 164 ARG 6.19 2.75 1 165 GLU 1.92 3.15 1 166 ILE 5.44 2.49 1 167 ARG 2.60 1.20 1 168 GLN 0.44 -0.82 1 stop_ save_