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 bmr27387_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.19 _LACS_plot.Line_1_terminator_val_y_1 -2.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.55 _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 9.33 _LACS_plot.Line_2_terminator_val_y_2 6.97 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 LYS -5.50 -0.66 0 94 ILE 6.14 1.56 0 112 MET -5.52 -0.40 0 10 VAL -5.40 -2.90 1 12 ALA 0.32 0.21 1 15 VAL 1.33 0.66 1 17 LYS 8.50 5.01 1 19 ALA 2.45 1.86 1 20 LEU 2.83 3.67 1 21 THR 9.34 6.52 1 22 ILE 6.20 3.70 1 23 GLN 3.45 3.48 1 24 LEU 4.61 2.95 1 25 ILE 2.68 1.19 1 26 GLN -1.35 -0.50 1 27 ASN 3.15 1.48 1 28 HIS -3.53 -0.71 1 29 PHE -2.35 -2.61 1 30 VAL -1.34 -2.71 1 31 ASP 0.44 0.32 1 32 GLU -1.48 -1.28 1 33 TYR 0.62 0.95 1 34 ASP -0.39 0.42 1 36 THR -0.08 0.36 1 37 ILE 1.84 1.20 1 38 GLU -5.18 -2.27 1 39 ASP -4.33 -1.67 1 40 SER -4.90 -2.56 1 41 TYR -5.72 -1.03 1 42 ARG -4.95 -1.83 1 44 GLN -0.76 -0.42 1 45 VAL -5.82 -2.63 1 46 VAL 0.02 -0.60 1 47 ILE -1.94 -0.84 1 48 ASP 2.73 1.15 1 50 GLU -3.79 -1.91 1 51 THR 3.41 1.98 1 53 LEU -3.62 -1.81 1 54 LEU -1.14 -1.47 1 55 ASP -2.33 -1.25 1 56 ILE -4.23 -1.06 1 57 LEU -1.23 -1.07 1 58 ASP -1.44 -1.10 1 59 THR -2.44 -0.16 1 60 ALA -2.70 -0.71 1 62 GLN 0.54 0.61 1 63 GLU 1.23 0.88 1 64 GLU -0.11 0.11 1 65 TYR 0.64 0.24 1 66 SER -1.87 -1.50 1 67 ALA 3.28 2.35 1 68 MET 2.75 2.43 1 69 ARG 4.39 3.05 1 70 ASP 3.67 3.47 1 71 GLN 4.97 3.71 1 72 TYR 3.86 3.05 1 73 MET 4.28 3.00 1 74 ARG 3.86 3.61 1 75 THR 0.40 0.61 1 77 GLU -2.39 0.19 1 79 PHE -3.99 -0.82 1 80 LEU -2.11 -1.16 1 82 VAL -1.39 -0.87 1 83 PHE -3.67 -2.47 1 84 ALA -5.16 -2.71 1 85 ILE 2.71 2.23 1 86 ASN -0.16 -1.06 1 87 ASN -1.56 -0.82 1 88 THR 6.42 5.01 1 89 LYS 5.15 3.30 1 90 SER 3.55 3.45 1 91 PHE 1.55 2.16 1 92 GLU 3.32 2.52 1 93 ASP 1.66 1.85 1 95 HIS 4.13 4.75 1 96 HIS 3.69 3.34 1 97 TYR 6.07 4.97 1 98 ARG 6.09 3.94 1 99 GLU 3.44 2.46 1 100 GLN 4.25 3.32 1 101 ILE 5.11 4.20 1 102 LYS 4.38 3.37 1 103 ARG 3.82 2.90 1 104 VAL 4.12 2.97 1 105 LYS 0.52 -1.34 1 106 ASP 1.64 0.41 1 107 SER -2.40 -1.12 1 108 GLU -0.88 -0.33 1 109 ASP -1.03 -1.16 1 110 VAL -3.16 -0.94 1 113 VAL -5.67 -1.17 1 114 LEU -2.57 -0.99 1 115 VAL -4.17 -2.03 1 117 ASN -3.87 -1.54 1 118 LYS 4.36 1.11 1 120 ASP -0.69 -0.28 1 121 LEU -0.04 -0.06 1 123 SER -0.67 -1.89 1 124 ARG 0.46 0.00 1 125 THR 1.26 -0.30 1 126 VAL -0.85 -0.79 1 127 ASP -1.06 0.00 1 128 THR 6.22 5.48 1 129 LYS 4.37 3.21 1 130 GLN 3.58 2.85 1 131 ALA 3.08 2.58 1 132 GLN 4.21 3.25 1 133 ASP 4.40 3.02 1 134 LEU 3.40 2.66 1 135 ALA 4.25 3.37 1 136 ARG 4.62 3.39 1 137 SER 4.41 3.18 1 138 TYR -3.10 -3.14 1 140 ILE -0.07 -0.26 1 142 PHE -5.65 -2.99 1 143 ILE -5.51 -1.87 1 144 GLU -2.12 -1.24 1 145 THR -6.19 -2.14 1 146 SER -1.79 -0.91 1 147 ALA 2.74 2.11 1 148 LYS 1.47 2.13 1 149 THR -0.32 -0.45 1 150 ARG 3.22 2.96 1 151 GLN 2.49 1.57 1 153 VAL 7.33 6.03 1 154 ASP 5.08 3.23 1 155 ASP 3.93 2.90 1 156 ALA 5.66 3.80 1 157 PHE 5.48 5.24 1 158 TYR 4.19 0.75 1 160 LEU 5.00 2.89 1 161 VAL 7.48 5.38 1 162 ARG 6.32 4.86 1 163 GLU 2.14 2.38 1 164 ILE 6.06 5.18 1 165 ARG 4.48 4.16 1 166 LYS 3.13 2.64 1 167 HIS 2.51 2.82 1 168 LYS 1.00 1.14 1 169 GLU -0.05 0.07 1 170 LYS 1.39 1.76 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27387_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.19 _LACS_plot.Line_1_terminator_val_y_1 3.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.45 _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 9.33 _LACS_plot.Line_2_terminator_val_y_2 -2.36 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 43 LYS -5.50 4.84 0 94 ILE 6.14 -4.58 0 112 MET -5.52 5.12 0 10 VAL -5.40 2.50 1 12 ALA 0.32 -0.11 1 15 VAL 1.33 -0.67 1 17 LYS 8.50 -3.49 1 19 ALA 2.45 -0.59 1 20 LEU 2.83 0.84 1 21 THR 9.34 -2.82 1 22 ILE 6.20 -2.50 1 23 GLN 3.45 0.03 1 24 LEU 4.61 -1.66 1 25 ILE 2.68 -1.49 1 26 GLN -1.35 0.85 1 27 ASN 3.15 -1.67 1 28 HIS -3.53 2.82 1 29 PHE -2.35 -0.26 1 30 VAL -1.34 -1.37 1 31 ASP 0.44 -0.12 1 32 GLU -1.48 0.20 1 33 TYR 0.62 0.33 1 34 ASP -0.39 0.81 1 36 THR -0.08 0.44 1 37 ILE 1.84 -0.64 1 38 GLU -5.18 2.91 1 39 ASP -4.33 2.66 1 40 SER -4.90 2.34 1 41 TYR -5.72 4.69 1 42 ARG -4.95 3.12 1 44 GLN -0.76 0.34 1 45 VAL -5.82 3.19 1 46 VAL 0.02 -0.62 1 47 ILE -1.94 1.10 1 48 ASP 2.73 -1.58 1 50 GLU -3.79 1.88 1 51 THR 3.41 -1.43 1 53 LEU -3.62 1.81 1 54 LEU -1.14 -0.33 1 55 ASP -2.33 1.08 1 56 ILE -4.23 3.17 1 57 LEU -1.23 0.16 1 58 ASP -1.44 0.34 1 59 THR -2.44 2.28 1 60 ALA -2.70 1.99 1 62 GLN 0.54 0.07 1 63 GLU 1.23 -0.35 1 64 GLU -0.11 0.22 1 65 TYR 0.64 -0.40 1 66 SER -1.87 0.37 1 67 ALA 3.28 -0.93 1 68 MET 2.75 -0.32 1 69 ARG 4.39 -1.34 1 70 ASP 3.67 -0.20 1 71 GLN 4.97 -1.26 1 72 TYR 3.86 -0.81 1 73 MET 4.28 -1.28 1 74 ARG 3.86 -0.25 1 75 THR 0.40 0.21 1 77 GLU -2.39 2.58 1 79 PHE -3.99 3.17 1 80 LEU -2.11 0.95 1 82 VAL -1.39 0.52 1 83 PHE -3.67 1.20 1 84 ALA -5.16 2.45 1 85 ILE 2.71 -0.48 1 86 ASN -0.16 -0.90 1 87 ASN -1.56 0.74 1 88 THR 6.42 -1.41 1 89 LYS 5.15 -1.85 1 90 SER 3.55 -0.10 1 91 PHE 1.55 0.61 1 92 GLU 3.32 -0.80 1 93 ASP 1.66 0.19 1 95 HIS 4.13 0.62 1 96 HIS 3.69 -0.35 1 97 TYR 6.07 -1.10 1 98 ARG 6.09 -2.15 1 99 GLU 3.44 -0.98 1 100 GLN 4.25 -0.93 1 101 ILE 5.11 -0.91 1 102 LYS 4.38 -1.01 1 103 ARG 3.82 -0.92 1 104 VAL 4.12 -1.15 1 105 LYS 0.52 -1.86 1 106 ASP 1.64 -1.23 1 107 SER -2.40 1.28 1 108 GLU -0.88 0.55 1 109 ASP -1.03 -0.13 1 110 VAL -3.16 2.22 1 113 VAL -5.67 4.50 1 114 LEU -2.57 1.58 1 115 VAL -4.17 2.14 1 117 ASN -3.87 2.33 1 118 LYS 4.36 -3.25 1 120 ASP -0.69 0.41 1 121 LEU -0.04 -0.02 1 123 SER -0.67 -1.22 1 124 ARG 0.46 -0.46 1 125 THR 1.26 -1.56 1 126 VAL -0.85 0.06 1 127 ASP -1.06 1.06 1 128 THR 6.22 -0.74 1 129 LYS 4.37 -1.16 1 130 GLN 3.58 -0.73 1 131 ALA 3.08 -0.50 1 132 GLN 4.21 -0.96 1 133 ASP 4.40 -1.38 1 134 LEU 3.40 -0.74 1 135 ALA 4.25 -0.88 1 136 ARG 4.62 -1.23 1 137 SER 4.41 -1.23 1 138 TYR -3.10 -0.04 1 140 ILE -0.07 -0.19 1 142 PHE -5.65 2.66 1 143 ILE -5.51 3.64 1 144 GLU -2.12 0.88 1 145 THR -6.19 4.05 1 146 SER -1.79 0.88 1 147 ALA 2.74 -0.63 1 148 LYS 1.47 0.66 1 149 THR -0.32 -0.13 1 150 ARG 3.22 -0.26 1 151 GLN 2.49 -0.92 1 153 VAL 7.33 -1.30 1 154 ASP 5.08 -1.85 1 155 ASP 3.93 -1.03 1 156 ALA 5.66 -1.86 1 157 PHE 5.48 -0.24 1 158 TYR 4.19 -3.44 1 160 LEU 5.00 -2.11 1 161 VAL 7.48 -2.10 1 162 ARG 6.32 -1.46 1 163 GLU 2.14 0.24 1 164 ILE 6.06 -0.88 1 165 ARG 4.48 -0.32 1 166 LYS 3.13 -0.49 1 167 HIS 2.51 0.31 1 168 LYS 1.00 0.14 1 169 GLU -0.05 0.12 1 170 LYS 1.39 0.37 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27387_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.19 _LACS_plot.Line_1_terminator_val_y_1 -2.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.96 _LACS_plot.Line_2_terminator_val_x_2 9.33 _LACS_plot.Line_2_terminator_val_y_2 3.42 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 145 THR -6.19 1.57 0 10 VAL -5.40 -3.45 1 12 ALA 0.32 -1.09 1 15 VAL 1.33 -1.84 1 17 LYS 8.50 3.20 1 19 ALA 2.45 4.31 1 20 LEU 2.83 0.03 1 21 THR 9.34 1.24 1 22 ILE 6.20 2.75 1 23 GLN 3.45 3.36 1 24 LEU 4.61 0.67 1 25 ILE 2.68 1.24 1 26 GLN -1.35 0.43 1 27 ASN 3.15 -1.03 1 28 HIS -3.53 2.17 1 29 PHE -2.35 -1.12 1 30 VAL -1.34 -1.26 1 31 ASP 0.44 1.90 1 32 GLU -1.48 -2.33 1 33 TYR 0.62 -0.56 1 36 THR -0.08 -0.07 1 37 ILE 1.84 -1.65 1 38 GLU -5.18 -2.48 1 39 ASP -4.33 -3.07 1 40 SER -4.90 -0.67 1 41 TYR -5.72 -1.56 1 42 ARG -4.95 0.06 1 43 LYS -5.50 -2.85 1 44 GLN -0.76 -0.71 1 45 VAL -5.82 -3.15 1 46 VAL 0.02 -0.68 1 47 ILE -1.94 0.19 1 48 ASP 2.73 -0.11 1 50 GLU -3.79 -0.97 1 51 THR 3.41 -1.17 1 53 LEU -3.62 -2.52 1 54 LEU -1.14 -3.19 1 55 ASP -2.33 -1.34 1 56 ILE -4.23 -1.41 1 57 LEU -1.23 -3.86 1 58 ASP -1.44 -0.86 1 59 THR -2.44 -1.32 1 60 ALA -2.70 0.13 1 62 GLN 0.54 0.41 1 63 GLU 1.23 0.17 1 64 GLU -0.11 -0.68 1 65 TYR 0.64 -0.24 1 66 SER -1.87 -0.28 1 67 ALA 3.28 2.39 1 68 MET 2.75 1.33 1 69 ARG 4.39 1.74 1 70 ASP 3.67 1.82 1 71 GLN 4.97 3.45 1 72 TYR 3.86 2.70 1 73 MET 4.28 0.79 1 74 ARG 3.86 2.73 1 75 THR 0.40 0.91 1 77 GLU -2.39 -0.07 1 79 PHE -3.99 -2.15 1 80 LEU -2.11 -2.80 1 82 VAL -1.39 -1.29 1 83 PHE -3.67 -4.55 1 84 ALA -5.16 1.50 1 85 ILE 2.71 -2.30 1 86 ASN -0.16 -0.52 1 87 ASN -1.56 -0.23 1 88 THR 6.42 1.47 1 89 LYS 5.15 1.52 1 90 SER 3.55 1.25 1 91 PHE 1.55 1.53 1 92 GLU 3.32 2.98 1 93 ASP 1.66 1.43 1 94 ILE 6.14 1.15 1 95 HIS 4.13 3.04 1 96 HIS 3.69 4.05 1 98 ARG 6.09 0.87 1 99 GLU 3.44 2.30 1 100 GLN 4.25 1.90 1 101 ILE 5.11 0.80 1 102 LYS 4.38 2.73 1 103 ARG 3.82 3.11 1 104 VAL 4.12 1.39 1 105 LYS 0.52 -0.51 1 106 ASP 1.64 -1.58 1 107 SER -2.40 -1.27 1 108 GLU -0.88 -0.42 1 109 ASP -1.03 -1.98 1 112 MET -5.52 -2.52 1 113 VAL -5.67 -2.99 1 114 LEU -2.57 -3.93 1 115 VAL -4.17 -2.42 1 117 ASN -3.87 -0.50 1 118 LYS 4.36 0.76 1 120 ASP -0.69 -0.63 1 123 SER -0.67 -1.92 1 124 ARG 0.46 -1.10 1 125 THR 1.26 -0.51 1 126 VAL -0.85 -1.09 1 127 ASP -1.06 0.32 1 128 THR 6.22 1.00 1 129 LYS 4.37 1.74 1 130 GLN 3.58 3.39 1 131 ALA 3.08 0.28 1 132 GLN 4.21 3.51 1 133 ASP 4.40 2.66 1 134 LEU 3.40 1.41 1 135 ALA 4.25 2.10 1 136 ARG 4.62 3.75 1 137 SER 4.41 1.56 1 138 TYR -3.10 0.34 1 142 PHE -5.65 -2.03 1 143 ILE -5.51 -3.61 1 144 GLU -2.12 -0.38 1 146 SER -1.79 1.09 1 147 ALA 2.74 -1.95 1 148 LYS 1.47 0.44 1 149 THR -0.32 1.15 1 150 ARG 3.22 -0.49 1 151 GLN 2.49 1.08 1 153 VAL 7.33 0.33 1 154 ASP 5.08 0.94 1 155 ASP 3.93 3.11 1 156 ALA 5.66 0.04 1 157 PHE 5.48 2.34 1 158 TYR 4.19 3.15 1 160 LEU 5.00 0.06 1 161 VAL 7.48 1.29 1 162 ARG 6.32 3.41 1 163 GLU 2.14 3.08 1 164 ILE 6.06 2.30 1 165 ARG 4.48 2.68 1 166 LYS 3.13 1.79 1 167 HIS 2.51 1.84 1 168 LYS 1.00 -0.98 1 169 GLU -0.05 -1.01 1 stop_ save_