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 bmr19311_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.61 _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 0.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.72 _LACS_plot.Line_2_terminator_val_x_2 6.87 _LACS_plot.Line_2_terminator_val_y_2 4.34 _LACS_plot.Y_axis_chem_shift_offset 0.34 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 78 HIS -7.09 0.53 0 10 TRP -1.12 0.74 1 11 ILE 6.88 5.53 1 12 LYS 6.32 4.27 1 13 ALA 3.46 1.58 1 14 LEU 3.76 3.00 1 15 ILE 5.46 2.45 1 16 GLU 3.98 2.54 1 17 ASP 2.16 1.46 1 18 ASN -0.58 0.59 1 19 SER 0.46 0.50 1 20 GLU -0.69 -0.97 1 21 HIS 0.88 1.35 1 22 ASP 1.17 0.08 1 23 GLN 0.50 -0.31 1 24 TYR 0.94 -1.15 1 25 HIS -0.24 -0.02 1 27 SER -0.81 -0.81 1 29 HIS 2.91 0.80 1 30 VAL 1.92 0.22 1 31 ILE -0.92 -0.04 1 33 SER 0.11 -0.66 1 34 LEU -2.91 -2.57 1 35 THR -2.72 -1.36 1 36 LYS 5.28 3.14 1 37 GLN 4.70 2.66 1 38 ASP 3.27 3.32 1 39 LEU 2.20 0.96 1 40 ALA 2.13 1.22 1 41 LEU -2.19 -1.79 1 43 HIS 2.98 2.70 1 44 MET -1.55 -2.21 1 45 SER -2.06 -2.13 1 47 THR 5.20 3.61 1 48 ILE 4.65 3.13 1 49 LEU 3.16 1.49 1 50 THR -0.40 -0.28 1 51 ASN -2.50 -1.32 1 54 HIS 1.57 1.14 1 55 PHE -2.64 -0.71 1 56 ALA -6.70 -1.66 1 57 LYS -3.12 -1.64 1 58 ILE 2.12 0.48 1 59 THR 0.24 -0.92 1 60 LYS -0.78 0.26 1 61 PHE 0.52 0.28 1 62 TYR 1.73 2.56 1 63 ASN -1.33 -0.43 1 64 VAL -1.07 -0.78 1 67 TYR 5.35 2.18 1 68 LYS -1.38 -0.96 1 69 VAL -2.26 -1.11 1 70 TYR 1.15 -0.06 1 71 ALA -5.70 -0.80 1 72 SER -3.25 -1.64 1 73 ILE -5.79 -3.28 1 74 ARG -5.57 -3.28 1 75 ASP -0.40 -2.53 1 76 SER 2.45 1.47 1 77 SER -0.27 2.32 1 79 GLN -6.22 -2.64 1 80 ILE -2.36 -0.08 1 81 LEU 1.74 -0.02 1 82 VAL -6.50 -3.56 1 83 GLU -5.41 -3.18 1 84 PHE -0.16 -0.99 1 85 SER -2.52 -1.07 1 86 GLN 5.64 3.10 1 87 GLU 3.71 2.46 1 89 VAL 5.90 4.30 1 90 SER 4.57 2.88 1 91 ASN 4.45 3.01 1 92 PHE 4.65 4.03 1 93 GLU 4.05 2.47 1 94 ARG 3.78 2.18 1 95 THR 4.20 3.36 1 96 HIS 0.81 1.64 1 97 ASN 3.04 0.76 1 99 ARG -0.44 -1.09 1 100 ILE 3.29 2.02 1 101 THR 0.08 -1.77 1 102 SER 1.24 0.17 1 103 GLU 2.75 0.31 1 104 THR 0.84 0.11 1 105 THR 3.70 2.03 1 106 ASN 1.80 0.45 1 108 LEU -0.22 -0.23 1 110 ILE -3.10 -5.56 1 111 ILE -6.11 -3.31 1 113 ASP 1.73 -0.21 1 114 ALA -7.61 -3.24 1 115 ASP -4.50 -2.22 1 116 LEU -2.52 -1.16 1 117 VAL -4.48 -3.32 1 118 TYR -0.76 -0.63 1 119 VAL -4.17 -2.88 1 120 THR -3.11 -2.05 1 121 ASN 4.17 3.54 1 123 ARG 2.88 1.03 1 124 ALA 5.78 2.74 1 125 MET 4.22 2.81 1 126 SER 3.85 2.29 1 127 HIS 2.71 3.30 1 128 PHE 2.04 1.02 1 129 LYS 5.12 -0.09 1 130 ILE -5.09 -2.30 1 131 SER -1.72 -2.61 1 132 LEU 3.29 1.08 1 133 SER 4.05 1.94 1 134 ASN 1.79 1.17 1 135 ILE -0.58 -0.26 1 136 SER -1.81 -1.53 1 137 SER 0.85 -0.11 1 138 LYS -2.20 -1.59 1 139 GLU 0.96 0.10 1 140 ILE -2.98 -2.01 1 141 VAL -4.20 -3.46 1 143 VAL -4.96 -2.50 1 144 LEU -3.18 -2.56 1 145 ASN -1.41 -1.72 1 146 VAL -0.46 0.54 1 147 ASN -1.99 0.06 1 148 GLN -4.60 -0.74 1 149 ALA -2.81 -1.16 1 150 THR -1.78 -1.81 1 151 ILE 0.36 0.92 1 152 PHE 1.43 1.36 1 154 ILE -0.14 -0.39 1 155 ASP -0.22 -0.21 1 156 GLN -0.12 -0.69 1 157 VAL 1.03 0.11 1 160 LEU 1.01 -0.50 1 161 SER 0.24 -0.44 1 162 THR -0.13 -0.67 1 163 PHE -0.12 -0.86 1 165 PHE 2.04 1.93 1 166 VAL 1.93 0.47 1 167 TYR 1.72 -1.32 1 168 LYS 3.42 1.34 1 169 TYR 0.29 -0.49 1 170 LEU 0.59 0.29 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19311_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.61 _LACS_plot.Line_1_terminator_val_y_1 3.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 6.87 _LACS_plot.Line_2_terminator_val_y_2 -2.53 _LACS_plot.Y_axis_chem_shift_offset 0.34 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 78 HIS -7.09 7.62 0 10 TRP -1.12 1.86 1 11 ILE 6.88 -1.35 1 12 LYS 6.32 -2.05 1 13 ALA 3.46 -1.88 1 14 LEU 3.76 -0.76 1 15 ILE 5.46 -3.01 1 16 GLU 3.98 -1.44 1 17 ASP 2.16 -0.70 1 18 ASN -0.58 1.17 1 19 SER 0.46 0.04 1 20 GLU -0.69 -0.28 1 21 HIS 0.88 0.47 1 22 ASP 1.17 -1.09 1 23 GLN 0.50 -0.81 1 24 TYR 0.94 -2.09 1 25 HIS -0.24 0.22 1 27 SER -0.81 0.00 1 29 HIS 2.91 -2.11 1 30 VAL 1.92 -1.70 1 31 ILE -0.92 0.88 1 33 SER 0.11 -0.77 1 34 LEU -2.91 0.34 1 35 THR -2.72 1.36 1 36 LYS 5.28 -2.14 1 37 GLN 4.70 -2.04 1 38 ASP 3.27 0.05 1 39 LEU 2.20 -1.24 1 40 ALA 2.13 -0.91 1 41 LEU -2.19 0.40 1 43 HIS 2.98 -0.28 1 44 MET -1.55 -0.66 1 45 SER -2.06 -0.07 1 47 THR 5.20 -1.59 1 48 ILE 4.65 -1.52 1 49 LEU 3.16 -1.67 1 50 THR -0.40 0.12 1 51 ASN -2.50 1.18 1 54 HIS 1.57 -0.43 1 55 PHE -2.64 1.93 1 56 ALA -6.70 5.04 1 57 LYS -3.12 1.48 1 58 ILE 2.12 -1.64 1 59 THR 0.24 -1.16 1 60 LYS -0.78 1.04 1 61 PHE 0.52 -0.24 1 62 TYR 1.73 0.83 1 63 ASN -1.33 0.90 1 64 VAL -1.07 0.29 1 67 TYR 5.35 -3.17 1 68 LYS -1.38 0.42 1 69 VAL -2.26 1.15 1 70 TYR 1.15 -1.21 1 71 ALA -5.70 4.90 1 72 SER -3.25 1.61 1 73 ILE -5.79 2.51 1 74 ARG -5.57 2.29 1 75 ASP -0.40 -2.13 1 76 SER 2.45 -0.98 1 77 SER -0.27 2.59 1 79 GLN -6.22 3.58 1 80 ILE -2.36 2.28 1 81 LEU 1.74 -1.76 1 82 VAL -6.50 2.94 1 83 GLU -5.41 2.23 1 84 PHE -0.16 -0.83 1 85 SER -2.52 1.45 1 86 GLN 5.64 -2.54 1 87 GLU 3.71 -1.25 1 89 VAL 5.90 -1.60 1 90 SER 4.57 -1.69 1 91 ASN 4.45 -1.44 1 92 PHE 4.65 -0.62 1 93 GLU 4.05 -1.58 1 94 ARG 3.78 -1.60 1 95 THR 4.20 -0.84 1 96 HIS 0.81 0.83 1 97 ASN 3.04 -2.28 1 99 ARG -0.44 -0.65 1 100 ILE 3.29 -1.27 1 101 THR 0.08 -1.85 1 102 SER 1.24 -1.07 1 103 GLU 2.75 -2.44 1 104 THR 0.84 -0.73 1 105 THR 3.70 -1.67 1 106 ASN 1.80 -1.35 1 108 LEU -0.22 -0.01 1 110 ILE -3.10 -2.46 1 111 ILE -6.11 2.80 1 113 ASP 1.73 -1.94 1 114 ALA -7.61 4.37 1 115 ASP -4.50 2.28 1 116 LEU -2.52 1.36 1 117 VAL -4.48 1.16 1 118 TYR -0.76 0.13 1 119 VAL -4.17 1.29 1 120 THR -3.11 1.06 1 121 ASN 4.17 -0.63 1 123 ARG 2.88 -1.85 1 124 ALA 5.78 -3.04 1 125 MET 4.22 -1.41 1 126 SER 3.85 -1.56 1 127 HIS 2.71 0.59 1 128 PHE 2.04 -1.02 1 129 LYS 5.12 -5.21 1 130 ILE -5.09 2.79 1 131 SER -1.72 -0.89 1 132 LEU 3.29 -2.21 1 133 SER 4.05 -2.11 1 134 ASN 1.79 -0.62 1 135 ILE -0.58 0.32 1 136 SER -1.81 0.28 1 137 SER 0.85 -0.96 1 138 LYS -2.20 0.61 1 139 GLU 0.96 -0.86 1 140 ILE -2.98 0.97 1 141 VAL -4.20 0.74 1 143 VAL -4.96 2.46 1 144 LEU -3.18 0.62 1 145 ASN -1.41 -0.31 1 146 VAL -0.46 1.00 1 147 ASN -1.99 2.05 1 148 GLN -4.60 3.86 1 149 ALA -2.81 1.65 1 150 THR -1.78 -0.03 1 151 ILE 0.36 0.56 1 152 PHE 1.43 -0.07 1 154 ILE -0.14 -0.25 1 155 ASP -0.22 0.01 1 156 GLN -0.12 -0.57 1 157 VAL 1.03 -0.92 1 160 LEU 1.01 -1.51 1 161 SER 0.24 -0.68 1 162 THR -0.13 -0.54 1 163 PHE -0.12 -0.74 1 165 PHE 2.04 -0.11 1 166 VAL 1.93 -1.46 1 167 TYR 1.72 -3.04 1 168 LYS 3.42 -2.08 1 169 TYR 0.29 -0.78 1 170 LEU 0.59 -0.30 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19311_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.61 _LACS_plot.Line_1_terminator_val_y_1 -3.14 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.26 _LACS_plot.Line_2_terminator_val_x_2 6.87 _LACS_plot.Line_2_terminator_val_y_2 2.28 _LACS_plot.Y_axis_chem_shift_offset 0.41 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 67 TYR 5.35 -2.31 0 10 TRP -1.12 0.52 1 11 ILE 6.88 0.38 1 12 LYS 6.32 1.21 1 13 ALA 3.46 1.48 1 14 LEU 3.76 2.67 1 15 ILE 5.46 3.22 1 16 GLU 3.98 2.50 1 17 ASP 2.16 0.69 1 18 ASN -0.58 -0.92 1 19 SER 0.46 -0.66 1 20 GLU -0.69 -0.37 1 21 HIS 0.88 0.68 1 22 ASP 1.17 -1.08 1 23 GLN 0.50 -0.72 1 24 TYR 0.94 -1.02 1 27 SER -0.81 -0.32 1 29 HIS 2.91 1.69 1 30 VAL 1.92 -0.05 1 33 SER 0.11 -1.20 1 34 LEU -2.91 0.50 1 35 THR -2.72 0.52 1 36 LYS 5.28 2.83 1 37 GLN 4.70 2.69 1 38 ASP 3.27 -0.54 1 39 LEU 2.20 0.64 1 40 ALA 2.13 0.86 1 43 HIS 2.98 1.09 1 44 MET -1.55 -0.78 1 47 THR 5.20 1.11 1 48 ILE 4.65 0.27 1 49 LEU 3.16 1.69 1 50 THR -0.40 -0.71 1 54 HIS 1.57 0.20 1 55 PHE -2.64 -1.49 1 56 ALA -6.70 -2.30 1 57 LYS -3.12 -0.59 1 58 ILE 2.12 0.31 1 59 THR 0.24 0.38 1 60 LYS -0.78 -3.25 1 61 PHE 0.52 -0.73 1 62 TYR 1.73 0.39 1 63 ASN -1.33 -2.55 1 64 VAL -1.07 -1.12 1 68 LYS -1.38 -1.40 1 69 VAL -2.26 -3.35 1 70 TYR 1.15 0.05 1 71 ALA -5.70 -3.51 1 72 SER -3.25 0.46 1 73 ILE -5.79 -2.83 1 74 ARG -5.57 -1.71 1 75 ASP -0.40 -0.50 1 76 SER 2.45 -0.26 1 77 SER -0.27 -2.28 1 78 HIS -7.09 -0.85 1 79 GLN -6.22 -0.36 1 80 ILE -2.36 -4.09 1 81 LEU 1.74 -1.75 1 82 VAL -6.50 -3.29 1 84 PHE -0.16 -0.33 1 85 SER -2.52 -1.58 1 86 GLN 5.64 3.42 1 87 GLU 3.71 0.80 1 89 VAL 5.90 1.89 1 90 SER 4.57 3.33 1 91 ASN 4.45 2.85 1 92 PHE 4.65 2.09 1 93 GLU 4.05 3.44 1 94 ARG 3.78 1.80 1 95 THR 4.20 0.62 1 96 HIS 0.81 0.67 1 97 ASN 3.04 -1.87 1 99 ARG -0.44 2.72 1 101 THR 0.08 0.46 1 102 SER 1.24 -0.79 1 104 THR 0.84 2.33 1 105 THR 3.70 0.32 1 106 ASN 1.80 -0.79 1 108 LEU -0.22 -2.99 1 110 ILE -3.10 0.08 1 111 ILE -6.11 -1.50 1 113 ASP 1.73 -1.82 1 114 ALA -7.61 -2.00 1 115 ASP -4.50 -2.17 1 116 LEU -2.52 -2.59 1 117 VAL -4.48 -3.06 1 118 TYR -0.76 0.38 1 119 VAL -4.17 -2.16 1 120 THR -3.11 1.16 1 123 ARG 2.88 2.09 1 124 ALA 5.78 2.26 1 125 MET 4.22 2.54 1 126 SER 3.85 1.60 1 127 HIS 2.71 0.43 1 128 PHE 2.04 -2.26 1 129 LYS 5.12 -0.65 1 130 ILE -5.09 -2.89 1 131 SER -1.72 1.84 1 132 LEU 3.29 0.90 1 134 ASN 1.79 0.74 1 135 ILE -0.58 -2.24 1 137 SER 0.85 -0.31 1 139 GLU 0.96 -2.44 1 140 ILE -2.98 -1.33 1 143 VAL -4.96 -1.98 1 144 LEU -3.18 -2.73 1 145 ASN -1.41 -0.24 1 146 VAL -0.46 -1.31 1 147 ASN -1.99 -1.05 1 148 GLN -4.60 -1.85 1 149 ALA -2.81 -1.18 1 151 ILE 0.36 -1.32 1 154 ILE -0.14 -1.09 1 155 ASP -0.22 -0.72 1 156 GLN -0.12 -0.30 1 157 VAL 1.03 0.29 1 160 LEU 1.01 -0.26 1 161 SER 0.24 -1.84 1 162 THR -0.13 -1.13 1 165 PHE 2.04 2.56 1 166 VAL 1.93 -1.38 1 167 TYR 1.72 0.94 1 168 LYS 3.42 -0.22 1 169 TYR 0.29 -1.42 1 stop_ save_