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 bmr5231_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.60 _LACS_plot.Line_1_terminator_val_y_1 -3.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.00 _LACS_plot.Line_2_terminator_val_x_2 6.42 _LACS_plot.Line_2_terminator_val_y_2 4.69 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 137 MET 3.55 -2.04 0 142 HIS -6.33 1.97 0 11 ARG 1.23 -0.61 1 12 LYS -3.32 -1.84 1 13 THR -0.20 -0.51 1 14 HIS -1.59 -0.83 1 15 LEU -4.86 -1.98 1 16 THR -6.99 -3.49 1 17 TYR -6.47 -2.93 1 18 ARG -4.86 -0.85 1 19 ILE 2.07 0.66 1 20 VAL 4.13 4.09 1 21 ASN -2.52 -1.61 1 22 TYR -1.95 0.86 1 25 ASP 1.33 1.86 1 26 LEU -7.64 -1.74 1 28 LYS 4.77 4.41 1 29 ASP 3.55 2.60 1 30 ALA 1.54 1.84 1 31 VAL 5.56 4.26 1 32 ASP 4.92 3.98 1 33 SER 3.68 3.40 1 34 ALA 4.03 3.42 1 35 VAL 6.43 5.04 1 36 GLU 4.00 3.90 1 37 LYS 4.10 3.67 1 38 ALA 4.01 3.38 1 39 LEU 4.06 2.76 1 40 LYS 3.28 2.57 1 41 VAL 4.46 3.20 1 42 TRP -0.65 0.47 1 43 GLU 1.78 3.25 1 44 GLU 1.04 2.28 1 45 VAL -1.68 -1.80 1 46 THR -1.99 0.63 1 48 LEU -0.64 0.07 1 49 THR -4.94 -1.90 1 50 PHE -5.36 -1.30 1 51 SER -2.57 -0.52 1 52 ARG -1.50 -0.25 1 53 LEU -5.29 -1.94 1 54 TYR 0.09 1.01 1 55 GLU -5.11 -1.81 1 57 GLU -0.74 -0.50 1 58 ALA -5.85 -2.73 1 59 ASP 5.24 5.50 1 60 ILE -0.90 -0.14 1 62 ILE -1.32 0.09 1 63 SER -4.29 -1.30 1 64 PHE -3.45 -0.92 1 65 ALA -5.86 -1.19 1 66 VAL 0.51 -2.87 1 67 ARG 2.81 0.77 1 68 GLU 2.50 1.74 1 69 HIS -0.27 -0.14 1 71 ASP -3.21 -2.93 1 72 PHE 2.37 0.92 1 73 TYR -4.36 -3.25 1 76 ASP -1.40 -0.53 1 80 ASN 3.53 3.05 1 82 LEU -0.74 0.35 1 83 ALA -4.33 -0.63 1 84 HIS -1.57 1.03 1 92 ILE 1.99 0.97 1 93 ASN 5.98 3.08 1 95 ASP 1.64 1.35 1 96 ALA -4.42 -1.06 1 97 HIS -9.60 -3.88 1 98 PHE -2.92 -0.71 1 99 ASP 0.20 -0.17 1 100 ASP -0.67 -0.82 1 101 ASP 4.54 2.52 1 102 GLU 0.63 -3.07 1 103 GLN -0.26 -2.03 1 104 TRP -1.08 -0.19 1 105 THR -4.95 -1.50 1 106 LYS 0.12 0.63 1 107 ASP -2.54 -1.54 1 108 THR 1.93 0.16 1 109 THR 2.27 2.55 1 111 THR 2.86 0.99 1 112 ASN 0.34 2.84 1 113 LEU 3.80 3.12 1 114 PHE 5.54 3.71 1 115 LEU 1.06 2.76 1 116 VAL 4.10 3.82 1 117 ALA 5.95 3.66 1 118 ALA 6.28 4.32 1 119 HIS 4.00 4.34 1 120 GLU 3.62 2.20 1 121 ILE 3.61 0.89 1 123 HIS 2.62 2.60 1 124 SER 4.57 4.45 1 125 LEU -0.88 0.35 1 127 LEU -0.94 -0.81 1 129 HIS 0.05 0.62 1 131 ALA -0.46 -0.04 1 132 ASN 2.00 0.54 1 133 THR 3.36 2.11 1 134 GLU 0.26 -0.41 1 135 ALA -0.99 -0.50 1 136 LEU 3.36 2.96 1 138 TYR -1.03 -0.45 1 143 SER 2.87 0.93 1 144 LEU 0.05 1.78 1 146 ASP -1.33 -1.10 1 147 LEU 2.28 2.14 1 148 THR 3.52 2.90 1 149 ARG -0.74 -0.94 1 150 PHE 2.51 2.79 1 151 ARG -4.24 -1.68 1 152 LEU -0.78 0.21 1 153 SER -1.94 0.33 1 154 GLN 3.97 2.90 1 155 ASP 2.33 4.77 1 156 ASP 5.54 3.49 1 157 ILE 4.97 4.90 1 158 ASN 3.66 2.22 1 160 ILE -0.21 0.05 1 161 GLN 5.40 2.84 1 164 TYR -1.86 1.07 1 169 ASP 0.12 0.33 1 170 SER -0.61 -0.02 1 172 GLU -0.26 0.43 1 173 THR 0.16 1.47 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5231_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.60 _LACS_plot.Line_1_terminator_val_y_1 5.93 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.00 _LACS_plot.Line_2_terminator_val_x_2 6.42 _LACS_plot.Line_2_terminator_val_y_2 -1.73 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 137 MET 3.55 -5.59 0 142 HIS -6.33 8.30 0 11 ARG 1.23 -1.84 1 12 LYS -3.32 1.48 1 13 THR -0.20 -0.31 1 14 HIS -1.59 0.76 1 15 LEU -4.86 2.88 1 16 THR -6.99 3.50 1 17 TYR -6.47 3.54 1 18 ARG -4.86 4.01 1 19 ILE 2.07 -1.41 1 20 VAL 4.13 -0.04 1 21 ASN -2.52 0.91 1 22 TYR -1.95 2.81 1 25 ASP 1.33 0.53 1 26 LEU -7.64 5.90 1 28 LYS 4.77 -0.36 1 29 ASP 3.55 -0.95 1 30 ALA 1.54 0.30 1 31 VAL 5.56 -1.30 1 32 ASP 4.92 -0.94 1 33 SER 3.68 -0.28 1 34 ALA 4.03 -0.61 1 35 VAL 6.43 -1.39 1 36 GLU 4.00 -0.10 1 37 LYS 4.10 -0.43 1 38 ALA 4.01 -0.63 1 39 LEU 4.06 -1.30 1 40 LYS 3.28 -0.71 1 41 VAL 4.46 -1.26 1 42 TRP -0.65 1.12 1 43 GLU 1.78 1.47 1 44 GLU 1.04 1.24 1 45 VAL -1.68 -0.12 1 46 THR -1.99 2.62 1 48 LEU -0.64 0.71 1 49 THR -4.94 3.04 1 50 PHE -5.36 4.06 1 51 SER -2.57 2.05 1 52 ARG -1.50 1.25 1 53 LEU -5.29 3.35 1 54 TYR 0.09 0.92 1 55 GLU -5.11 3.30 1 57 GLU -0.74 0.24 1 58 ALA -5.85 3.12 1 59 ASP 5.24 0.26 1 60 ILE -0.90 0.76 1 62 ILE -1.32 1.41 1 63 SER -4.29 2.99 1 64 PHE -3.45 2.53 1 65 ALA -5.86 4.67 1 66 VAL 0.51 -3.38 1 67 ARG 2.81 -2.04 1 68 GLU 2.50 -0.76 1 69 HIS -0.27 0.13 1 71 ASP -3.21 0.28 1 72 PHE 2.37 -1.45 1 73 TYR -4.36 1.11 1 76 ASP -1.40 0.87 1 80 ASN 3.53 -0.48 1 82 LEU -0.74 1.09 1 83 ALA -4.33 3.70 1 84 HIS -1.57 2.60 1 92 ILE 1.99 -1.02 1 93 ASN 5.98 -2.90 1 95 ASP 1.64 -0.29 1 96 ALA -4.42 3.36 1 97 HIS -9.60 5.72 1 98 PHE -2.92 2.21 1 99 ASP 0.20 -0.37 1 100 ASP -0.67 -0.15 1 101 ASP 4.54 -2.02 1 102 GLU 0.63 -3.70 1 103 GLN -0.26 -1.77 1 104 TRP -1.08 0.89 1 105 THR -4.95 3.45 1 106 LYS 0.12 0.51 1 107 ASP -2.54 1.00 1 108 THR 1.93 -1.77 1 109 THR 2.27 0.28 1 111 THR 2.86 -1.87 1 112 ASN 0.34 2.50 1 113 LEU 3.80 -0.68 1 114 PHE 5.54 -1.83 1 115 LEU 1.06 1.70 1 116 VAL 4.10 -0.28 1 117 ALA 5.95 -2.29 1 118 ALA 6.28 -1.96 1 119 HIS 4.00 0.34 1 120 GLU 3.62 -1.42 1 121 ILE 3.61 -2.72 1 123 HIS 2.62 -0.02 1 124 SER 4.57 -0.12 1 125 LEU -0.88 1.23 1 127 LEU -0.94 0.13 1 129 HIS 0.05 0.57 1 131 ALA -0.46 0.42 1 132 ASN 2.00 -1.46 1 133 THR 3.36 -1.25 1 134 GLU 0.26 -0.67 1 135 ALA -0.99 0.49 1 136 LEU 3.36 -0.40 1 138 TYR -1.03 0.58 1 143 SER 2.87 -1.94 1 144 LEU 0.05 1.73 1 146 ASP -1.33 0.23 1 147 LEU 2.28 -0.14 1 148 THR 3.52 -0.62 1 149 ARG -0.74 -0.20 1 150 PHE 2.51 0.28 1 151 ARG -4.24 2.56 1 152 LEU -0.78 0.99 1 153 SER -1.94 2.27 1 154 GLN 3.97 -1.07 1 155 ASP 2.33 2.44 1 156 ASP 5.54 -2.05 1 157 ILE 4.97 -0.07 1 158 ASN 3.66 -1.44 1 160 ILE -0.21 0.26 1 161 GLN 5.40 -2.56 1 164 TYR -1.86 2.93 1 169 ASP 0.12 0.21 1 170 SER -0.61 0.59 1 172 GLU -0.26 0.69 1 173 THR 0.16 1.31 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5231_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.99 _LACS_plot.Line_1_terminator_val_y_1 0.61 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.23 _LACS_plot.Line_2_terminator_val_x_2 6.42 _LACS_plot.Line_2_terminator_val_y_2 -0.39 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 142 HIS -6.33 -0.57 0 11 ARG 1.23 0.31 1 12 LYS -3.32 0.50 1 13 THR -0.20 0.05 1 14 HIS -1.59 0.45 1 15 LEU -4.86 0.21 1 16 THR -6.99 1.46 1 18 ARG -4.86 0.07 1 19 ILE 2.07 0.20 1 20 VAL 4.13 -0.66 1 21 ASN -2.52 0.02 1 22 TYR -1.95 -0.05 1 25 ASP 1.33 -0.48 1 28 LYS 4.77 -0.53 1 29 ASP 3.55 -0.23 1 30 ALA 1.54 0.05 1 31 VAL 5.56 -0.51 1 32 ASP 4.92 0.04 1 33 SER 3.68 -0.17 1 34 ALA 4.03 -0.07 1 35 VAL 6.43 -0.81 1 36 GLU 4.00 -0.59 1 37 LYS 4.10 -0.30 1 38 ALA 4.01 -0.23 1 39 LEU 4.06 -0.57 1 40 LYS 3.28 -0.12 1 41 VAL 4.46 -0.23 1 42 TRP -0.65 0.13 1 43 GLU 1.78 -0.29 1 44 GLU 1.04 -0.14 1 45 VAL -1.68 0.65 1 48 LEU -0.64 0.24 1 49 THR -4.94 0.28 1 50 PHE -5.36 1.17 1 51 SER -2.57 0.52 1 52 ARG -1.50 -0.75 1 53 LEU -5.29 0.41 1 54 TYR 0.09 -0.11 1 55 GLU -5.11 0.12 1 57 GLU -0.74 0.07 1 58 ALA -5.85 0.14 1 60 ILE -0.90 0.14 1 62 ILE -1.32 1.29 1 63 SER -4.29 0.65 1 64 PHE -3.45 0.79 1 65 ALA -5.86 0.63 1 66 VAL 0.51 0.42 1 67 ARG 2.81 -0.47 1 76 ASP -1.40 0.12 1 80 ASN 3.53 -0.71 1 82 LEU -0.74 0.23 1 83 ALA -4.33 0.38 1 92 ILE 1.99 0.08 1 93 ASN 5.98 -0.50 1 95 ASP 1.64 0.13 1 96 ALA -4.42 0.71 1 98 PHE -2.92 -0.27 1 99 ASP 0.20 -0.20 1 100 ASP -0.67 0.94 1 101 ASP 4.54 0.38 1 102 GLU 0.63 0.21 1 103 GLN -0.26 0.09 1 104 TRP -1.08 0.46 1 105 THR -4.95 0.60 1 106 LYS 0.12 0.27 1 107 ASP -2.54 0.13 1 108 THR 1.93 0.60 1 109 THR 2.27 -0.07 1 111 THR 2.86 -0.45 1 112 ASN 0.34 -0.31 1 113 LEU 3.80 0.24 1 114 PHE 5.54 -0.51 1 115 LEU 1.06 0.39 1 116 VAL 4.10 -0.01 1 117 ALA 5.95 -0.15 1 118 ALA 6.28 -0.27 1 120 GLU 3.62 -0.27 1 121 ILE 3.61 -0.25 1 123 HIS 2.62 0.93 1 125 LEU -0.88 0.29 1 129 HIS 0.05 0.24 1 131 ALA -0.46 0.36 1 132 ASN 2.00 -0.12 1 133 THR 3.36 -0.50 1 134 GLU 0.26 0.07 1 135 ALA -0.99 0.32 1 136 LEU 3.36 0.26 1 137 MET 3.55 0.07 1 143 SER 2.87 0.18 1 146 ASP -1.33 0.19 1 147 LEU 2.28 -0.12 1 148 THR 3.52 -0.12 1 149 ARG -0.74 0.15 1 150 PHE 2.51 -0.34 1 151 ARG -4.24 -0.30 1 152 LEU -0.78 -0.43 1 153 SER -1.94 0.09 1 154 GLN 3.97 -0.40 1 155 ASP 2.33 -0.05 1 156 ASP 5.54 0.20 1 157 ILE 4.97 -0.52 1 158 ASN 3.66 -0.38 1 160 ILE -0.21 0.17 1 161 GLN 5.40 -0.04 1 164 TYR -1.86 0.31 1 169 ASP 0.12 -0.02 1 172 GLU -0.26 0.03 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5231_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.60 _LACS_plot.Line_1_terminator_val_y_1 -2.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.69 _LACS_plot.Line_2_terminator_val_x_2 6.42 _LACS_plot.Line_2_terminator_val_y_2 1.60 _LACS_plot.Y_axis_chem_shift_offset 0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 142 HIS -6.33 3.70 0 11 ARG 1.23 -1.50 1 12 LYS -3.32 -2.30 1 13 THR -0.20 -2.10 1 14 HIS -1.59 -0.30 1 15 LEU -4.86 -1.30 1 16 THR -6.99 -0.20 1 18 ARG -4.86 -2.30 1 19 ILE 2.07 -0.90 1 20 VAL 4.13 -0.90 1 21 ASN -2.52 -5.30 1 22 TYR -1.95 1.60 1 25 ASP 1.33 -0.90 1 28 LYS 4.77 1.60 1 29 ASP 3.55 2.10 1 30 ALA 1.54 2.80 1 31 VAL 5.56 0.60 1 32 ASP 4.92 2.30 1 33 SER 3.68 1.90 1 34 ALA 4.03 1.50 1 35 VAL 6.43 0.60 1 36 GLU 4.00 3.00 1 37 LYS 4.10 2.10 1 38 ALA 4.01 0.00 1 39 LEU 4.06 2.10 1 40 LYS 3.28 2.00 1 41 VAL 4.46 0.90 1 42 TRP -0.65 4.00 1 43 GLU 1.78 1.60 1 44 GLU 1.04 1.30 1 45 VAL -1.68 -1.80 1 48 LEU -0.64 -0.80 1 49 THR -4.94 -2.20 1 50 PHE -5.36 1.10 1 51 SER -2.57 -3.20 1 52 ARG -1.50 -0.60 1 53 LEU -5.29 -0.70 1 54 TYR 0.09 -1.80 1 55 GLU -5.11 -1.90 1 57 GLU -0.74 -1.10 1 58 ALA -5.85 -1.10 1 60 ILE -0.90 -1.90 1 62 ILE -1.32 -2.30 1 63 SER -4.29 -2.60 1 64 PHE -3.45 0.20 1 65 ALA -5.86 -2.70 1 66 VAL 0.51 0.00 1 67 ARG 2.81 1.10 1 68 GLU 2.50 -1.40 1 76 ASP -1.40 1.70 1 80 ASN 3.53 -0.20 1 82 LEU -0.74 -1.60 1 83 ALA -4.33 -2.50 1 92 ILE 1.99 -2.10 1 93 ASN 5.98 0.20 1 95 ASP 1.64 -2.50 1 97 HIS -9.60 -0.70 1 98 PHE -2.92 -1.90 1 99 ASP 0.20 3.10 1 100 ASP -0.67 2.70 1 101 ASP 4.54 0.80 1 102 GLU 0.63 -1.10 1 103 GLN -0.26 -2.70 1 104 TRP -1.08 1.50 1 105 THR -4.95 1.00 1 106 LYS 0.12 -0.50 1 107 ASP -2.54 -0.80 1 108 THR 1.93 0.20 1 109 THR 2.27 0.70 1 111 THR 2.86 -1.90 1 112 ASN 0.34 -0.40 1 113 LEU 3.80 -1.20 1 114 PHE 5.54 -0.60 1 115 LEU 1.06 0.40 1 116 VAL 4.10 2.70 1 117 ALA 5.95 0.60 1 118 ALA 6.28 2.10 1 119 HIS 4.00 0.30 1 120 GLU 3.62 1.50 1 121 ILE 3.61 0.90 1 123 HIS 2.62 4.50 1 124 SER 4.57 1.20 1 125 LEU -0.88 0.80 1 129 HIS 0.05 -0.40 1 131 ALA -0.46 -1.00 1 132 ASN 2.00 0.40 1 133 THR 3.36 0.70 1 134 GLU 0.26 -0.40 1 135 ALA -0.99 1.20 1 136 LEU 3.36 2.90 1 137 MET 3.55 0.90 1 143 SER 2.87 0.30 1 146 ASP -1.33 0.70 1 147 LEU 2.28 1.50 1 148 THR 3.52 1.00 1 149 ARG -0.74 -0.70 1 150 PHE 2.51 -1.10 1 151 ARG -4.24 -1.60 1 152 LEU -0.78 -0.50 1 153 SER -1.94 0.60 1 154 GLN 3.97 1.40 1 155 ASP 2.33 1.60 1 156 ASP 5.54 -0.10 1 157 ILE 4.97 1.20 1 158 ASN 3.66 3.70 1 160 ILE -0.21 1.90 1 161 GLN 5.40 3.80 1 164 TYR -1.86 -0.20 1 169 ASP 0.12 -0.30 1 172 GLU -0.26 -0.60 1 stop_ save_