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 bmr34285_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.07 _LACS_plot.Line_1_terminator_val_y_1 -2.79 _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 -0.96 _LACS_plot.Line_2_terminator_val_x_2 6.69 _LACS_plot.Line_2_terminator_val_y_2 5.01 _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 23 LEU 6.70 1.89 0 10 GLU 0.25 0.92 1 11 ASP -2.14 -0.97 1 13 ARG 5.54 3.85 1 14 GLU 2.28 2.16 1 15 PHE 4.94 3.78 1 16 LEU 2.70 2.74 1 17 SER 4.71 3.61 1 18 HIS 3.91 4.30 1 19 LEU 3.65 2.54 1 20 GLU 3.35 3.42 1 21 GLU 3.17 2.63 1 22 TYR 3.92 3.24 1 24 ARG 4.22 3.35 1 25 GLN 3.46 2.49 1 26 VAL 2.13 1.73 1 29 SER -1.75 -0.76 1 30 GLU 3.05 2.84 1 31 GLU 3.81 3.06 1 32 TYR 3.07 2.20 1 33 TRP 3.00 2.46 1 34 LEU 4.66 3.06 1 35 SER 2.73 2.53 1 36 GLN -1.43 -0.25 1 37 ILE 5.03 4.23 1 38 GLN 4.18 2.96 1 39 ASN 2.37 1.56 1 40 HIS -2.25 1.00 1 41 MET -4.50 -1.59 1 42 ASN -2.48 0.70 1 45 ALA 2.62 2.39 1 46 LYS 4.66 4.09 1 47 LYS 3.37 2.17 1 48 TRP 5.71 3.90 1 49 TRP -0.19 0.72 1 50 GLU 3.27 2.81 1 51 PHE 1.59 1.37 1 52 LYS 0.06 -0.89 1 53 GLN 4.99 2.81 1 55 SER -0.72 -0.03 1 56 VAL 0.12 0.36 1 57 LYS -0.88 0.02 1 58 ASN -1.75 -0.58 1 59 TRP 1.61 2.77 1 60 VAL 6.67 5.28 1 61 GLU 2.42 2.75 1 62 PHE 6.50 4.92 1 63 LYS 6.38 5.10 1 64 LYS 4.02 3.46 1 65 GLU 3.60 2.47 1 66 PHE 5.16 4.34 1 67 LEU 4.87 3.22 1 68 GLN 4.06 3.30 1 69 TYR 3.02 1.80 1 70 SER 3.67 2.87 1 71 GLU 1.88 1.58 1 73 THR 1.99 1.69 1 74 LEU 1.11 0.86 1 75 SER 0.21 0.24 1 76 ARG 4.90 3.98 1 77 GLU 3.73 3.06 1 78 ALA 3.30 2.64 1 79 ILE 4.87 3.42 1 80 GLN 4.16 3.19 1 81 ARG 4.29 3.52 1 82 GLU 2.68 2.19 1 83 LEU 4.28 3.38 1 84 ASP 0.82 1.02 1 85 LEU 0.07 1.03 1 87 GLN 1.98 0.78 1 88 LYS -1.21 -0.45 1 89 GLN 3.63 2.32 1 91 GLU -2.17 -0.07 1 93 LEU 3.20 3.16 1 94 ASP 5.90 2.53 1 95 GLN 3.45 3.00 1 96 PHE 3.36 3.83 1 97 LEU 3.54 2.70 1 98 TRP 3.30 2.38 1 100 LYS 2.68 1.41 1 101 ARG 6.55 4.17 1 102 ASP 4.40 3.25 1 103 LEU 2.36 2.99 1 104 TYR 5.35 5.27 1 105 GLN 2.54 1.96 1 106 THR 5.46 4.29 1 107 LEU 0.41 1.28 1 108 TYR -0.28 -1.71 1 109 VAL 3.21 2.24 1 110 ASP 0.18 -0.32 1 111 ALA -0.68 0.84 1 112 GLU -2.61 -1.52 1 113 GLU 4.92 4.81 1 114 GLU 4.28 3.93 1 115 GLU 2.59 2.10 1 117 ILE 5.12 4.83 1 118 GLN 4.38 3.20 1 119 TYR 2.85 3.79 1 120 VAL 3.01 2.46 1 121 VAL 5.42 3.87 1 123 THR -0.28 0.39 1 124 LEU -1.57 -0.25 1 127 LYS 4.31 2.52 1 128 PHE 1.42 2.04 1 129 LYS 4.32 3.71 1 130 ARG 3.33 2.35 1 131 PHE -0.05 0.67 1 132 LEU 0.53 -0.68 1 133 ARG -1.68 -1.04 1 134 HIS -0.63 1.79 1 136 LEU 0.97 0.54 1 138 LYS -0.29 0.60 1 139 THR -6.07 -3.65 1 140 LEU 4.02 2.86 1 141 GLU 4.01 3.69 1 142 GLN 2.71 2.86 1 143 LEU 4.37 3.67 1 144 ILE 5.38 4.66 1 145 GLN 4.81 3.57 1 146 ARG 3.36 2.32 1 148 MET 2.83 1.54 1 149 GLU 1.55 1.49 1 150 VAL 2.09 1.05 1 151 GLN 1.09 1.15 1 152 ASP 0.81 0.91 1 154 LEU 0.49 0.34 1 155 GLU 0.16 0.18 1 156 GLN -0.15 -0.03 1 157 ALA -0.23 -0.06 1 158 ALA -0.23 -0.05 1 159 GLU -0.07 1.33 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34285_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.07 _LACS_plot.Line_1_terminator_val_y_1 3.28 _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 1.04 _LACS_plot.Line_2_terminator_val_x_2 6.69 _LACS_plot.Line_2_terminator_val_y_2 -1.68 _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 23 LEU 6.70 -4.81 0 10 GLU 0.25 0.67 1 11 ASP -2.14 1.17 1 13 ARG 5.54 -1.69 1 14 GLU 2.28 -0.12 1 15 PHE 4.94 -1.16 1 16 LEU 2.70 0.04 1 17 SER 4.71 -1.10 1 18 HIS 3.91 0.39 1 19 LEU 3.65 -1.11 1 20 GLU 3.35 0.07 1 21 GLU 3.17 -0.54 1 22 TYR 3.92 -0.68 1 24 ARG 4.22 -0.87 1 25 GLN 3.46 -0.97 1 26 VAL 2.13 -0.40 1 29 SER -1.75 0.99 1 30 GLU 3.05 -0.21 1 31 GLU 3.81 -0.75 1 32 TYR 3.07 -0.87 1 33 TRP 3.00 -0.54 1 34 LEU 4.66 -1.60 1 35 SER 2.73 -0.20 1 36 GLN -1.43 1.18 1 37 ILE 5.03 -0.80 1 38 GLN 4.18 -1.22 1 39 ASN 2.37 -0.81 1 40 HIS -2.25 3.25 1 41 MET -4.50 2.91 1 42 ASN -2.48 3.18 1 45 ALA 2.62 -0.23 1 46 LYS 4.66 -0.57 1 47 LYS 3.37 -1.20 1 48 TRP 5.71 -1.81 1 49 TRP -0.19 0.91 1 50 GLU 3.27 -0.46 1 51 PHE 1.59 -0.22 1 52 LYS 0.06 -0.95 1 53 GLN 4.99 -2.18 1 55 SER -0.72 0.69 1 56 VAL 0.12 0.24 1 57 LYS -0.88 0.90 1 58 ASN -1.75 1.17 1 59 TRP 1.61 1.16 1 60 VAL 6.67 -1.39 1 61 GLU 2.42 0.33 1 62 PHE 6.50 -1.58 1 63 LYS 6.38 -1.28 1 64 LYS 4.02 -0.56 1 65 GLU 3.60 -1.13 1 66 PHE 5.16 -0.82 1 67 LEU 4.87 -1.65 1 68 GLN 4.06 -0.76 1 69 TYR 3.02 -1.22 1 70 SER 3.67 -0.80 1 71 GLU 1.88 -0.30 1 73 THR 1.99 -0.30 1 74 LEU 1.11 -0.25 1 75 SER 0.21 0.03 1 76 ARG 4.90 -0.92 1 77 GLU 3.73 -0.67 1 78 ALA 3.30 -0.66 1 79 ILE 4.87 -1.45 1 80 GLN 4.16 -0.97 1 81 ARG 4.29 -0.77 1 82 GLU 2.68 -0.49 1 83 LEU 4.28 -0.90 1 84 ASP 0.82 0.20 1 85 LEU 0.07 0.96 1 87 GLN 1.98 -1.20 1 88 LYS -1.21 0.76 1 89 GLN 3.63 -1.31 1 91 GLU -2.17 2.10 1 93 LEU 3.20 -0.04 1 94 ASP 5.90 -3.37 1 95 GLN 3.45 -0.45 1 96 PHE 3.36 0.47 1 97 LEU 3.54 -0.84 1 98 TRP 3.30 -0.92 1 100 LYS 2.68 -1.27 1 101 ARG 6.55 -2.38 1 102 ASP 4.40 -1.15 1 103 LEU 2.36 0.63 1 104 TYR 5.35 -0.08 1 105 GLN 2.54 -0.58 1 106 THR 5.46 -1.17 1 107 LEU 0.41 0.87 1 108 TYR -0.28 -1.43 1 109 VAL 3.21 -0.97 1 110 ASP 0.18 -0.50 1 111 ALA -0.68 1.52 1 112 GLU -2.61 1.09 1 113 GLU 4.92 -0.11 1 114 GLU 4.28 -0.35 1 115 GLU 2.59 -0.49 1 117 ILE 5.12 -0.29 1 118 GLN 4.38 -1.18 1 119 TYR 2.85 0.94 1 120 VAL 3.01 -0.55 1 121 VAL 5.42 -1.55 1 123 THR -0.28 0.67 1 124 LEU -1.57 1.32 1 127 LYS 4.31 -1.79 1 128 PHE 1.42 0.62 1 129 LYS 4.32 -0.61 1 130 ARG 3.33 -0.98 1 131 PHE -0.05 0.72 1 132 LEU 0.53 -1.21 1 133 ARG -1.68 0.64 1 134 HIS -0.63 2.42 1 136 LEU 0.97 -0.43 1 138 LYS -0.29 0.89 1 139 THR -6.07 2.42 1 140 LEU 4.02 -1.16 1 141 GLU 4.01 -0.32 1 142 GLN 2.71 0.15 1 143 LEU 4.37 -0.70 1 144 ILE 5.38 -0.72 1 145 GLN 4.81 -1.24 1 146 ARG 3.36 -1.04 1 148 MET 2.83 -1.29 1 149 GLU 1.55 -0.06 1 150 VAL 2.09 -1.04 1 151 GLN 1.09 0.06 1 152 ASP 0.81 0.10 1 154 LEU 0.49 -0.15 1 155 GLU 0.16 0.02 1 156 GLN -0.15 0.12 1 157 ALA -0.23 0.17 1 158 ALA -0.23 0.18 1 159 GLU -0.07 1.40 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34285_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.07 _LACS_plot.Line_1_terminator_val_y_1 0.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.10 _LACS_plot.Line_2_terminator_val_x_2 6.69 _LACS_plot.Line_2_terminator_val_y_2 -0.64 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 30 GLU 3.05 -1.68 0 13 ARG 5.54 -0.28 1 14 GLU 2.28 -0.21 1 15 PHE 4.94 -0.86 1 16 LEU 2.70 -0.64 1 17 SER 4.71 -0.21 1 18 HIS 3.91 -0.48 1 19 LEU 3.65 -0.66 1 20 GLU 3.35 -1.19 1 21 GLU 3.17 -0.49 1 22 TYR 3.92 -0.54 1 23 LEU 6.70 -1.11 1 24 ARG 4.22 -0.31 1 25 GLN 3.46 -0.32 1 26 VAL 2.13 -0.19 1 29 SER -1.75 -0.19 1 31 GLU 3.81 -0.33 1 32 TYR 3.07 0.02 1 33 TRP 3.00 -0.50 1 34 LEU 4.66 -0.18 1 35 SER 2.73 -0.02 1 36 GLN -1.43 0.02 1 37 ILE 5.03 -0.77 1 38 GLN 4.18 -0.23 1 39 ASN 2.37 -0.24 1 40 HIS -2.25 -0.08 1 41 MET -4.50 0.31 1 42 ASN -2.48 -0.03 1 45 ALA 2.62 0.14 1 46 LYS 4.66 -0.26 1 47 LYS 3.37 -0.13 1 48 TRP 5.71 -0.40 1 49 TRP -0.19 -0.73 1 50 GLU 3.27 -0.71 1 51 PHE 1.59 -0.20 1 52 LYS 0.06 -0.61 1 53 GLN 4.99 -1.67 1 55 SER -0.72 0.11 1 56 VAL 0.12 0.17 1 57 LYS -0.88 0.18 1 58 ASN -1.75 0.04 1 59 TRP 1.61 0.03 1 60 VAL 6.67 -0.64 1 61 GLU 2.42 -0.21 1 62 PHE 6.50 -0.56 1 63 LYS 6.38 -1.14 1 64 LYS 4.02 -0.41 1 65 GLU 3.60 -0.16 1 66 PHE 5.16 -0.89 1 67 LEU 4.87 -0.59 1 68 GLN 4.06 -0.30 1 69 TYR 3.02 -0.50 1 70 SER 3.67 -1.15 1 71 GLU 1.88 -0.28 1 73 THR 1.99 -0.26 1 74 LEU 1.11 -0.09 1 75 SER 0.21 -0.09 1 77 GLU 3.73 -0.36 1 78 ALA 3.30 -0.24 1 79 ILE 4.87 -0.48 1 80 GLN 4.16 -0.63 1 81 ARG 4.29 -0.21 1 82 GLU 2.68 -0.31 1 83 LEU 4.28 -0.46 1 84 ASP 0.82 0.20 1 85 LEU 0.07 -0.13 1 87 GLN 1.98 -0.61 1 88 LYS -1.21 0.09 1 91 GLU -2.17 0.05 1 93 LEU 3.20 -0.64 1 94 ASP 5.90 -1.16 1 95 GLN 3.45 -0.31 1 96 PHE 3.36 -0.39 1 98 TRP 3.30 -0.20 1 100 LYS 2.68 -0.41 1 102 ASP 4.40 -0.24 1 103 LEU 2.36 -0.40 1 104 TYR 5.35 -0.86 1 105 GLN 2.54 -0.02 1 106 THR 5.46 -0.41 1 107 LEU 0.41 -0.50 1 108 TYR -0.28 0.15 1 109 VAL 3.21 0.09 1 110 ASP 0.18 0.08 1 111 ALA -0.68 -0.04 1 112 GLU -2.61 0.20 1 113 GLU 4.92 -0.59 1 114 GLU 4.28 -0.48 1 115 GLU 2.59 -0.34 1 117 ILE 5.12 -0.93 1 118 GLN 4.38 -0.57 1 119 TYR 2.85 -0.43 1 120 VAL 3.01 -0.12 1 121 VAL 5.42 -0.37 1 123 THR -0.28 0.27 1 124 LEU -1.57 -0.10 1 128 PHE 1.42 -0.01 1 129 LYS 4.32 -0.43 1 130 ARG 3.33 -0.33 1 131 PHE -0.05 0.03 1 132 LEU 0.53 -0.01 1 133 ARG -1.68 -0.01 1 134 HIS -0.63 -0.49 1 136 LEU 0.97 -0.28 1 138 LYS -0.29 -0.12 1 139 THR -6.07 0.41 1 140 LEU 4.02 -0.56 1 141 GLU 4.01 -0.36 1 142 GLN 2.71 -0.22 1 143 LEU 4.37 -0.38 1 144 ILE 5.38 -0.88 1 145 GLN 4.81 -0.36 1 146 ARG 3.36 -0.15 1 148 MET 2.83 -0.06 1 149 GLU 1.55 -0.18 1 150 VAL 2.09 -0.31 1 151 GLN 1.09 -0.15 1 152 ASP 0.81 -0.07 1 154 LEU 0.49 -0.08 1 155 GLU 0.16 -0.12 1 156 GLN -0.15 -0.04 1 157 ALA -0.23 -0.01 1 158 ALA -0.23 -0.01 1 159 GLU -0.07 -0.26 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34285_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.07 _LACS_plot.Line_1_terminator_val_y_1 -1.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.00 _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 6.69 _LACS_plot.Line_2_terminator_val_y_2 2.33 _LACS_plot.Y_axis_chem_shift_offset -0.37 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 139 THR -6.07 0.17 0 159 GLU -0.07 4.50 0 10 GLU 0.25 -0.34 1 11 ASP -2.14 0.40 1 13 ARG 5.54 3.57 1 14 GLU 2.28 2.23 1 15 PHE 4.94 1.04 1 16 LEU 2.70 1.37 1 19 LEU 3.65 -0.35 1 20 GLU 3.35 0.75 1 21 GLU 3.17 1.81 1 22 TYR 3.92 1.53 1 23 LEU 6.70 1.68 1 24 ARG 4.22 2.62 1 25 GLN 3.46 2.17 1 26 VAL 2.13 1.56 1 29 SER -1.75 -0.24 1 30 GLU 3.05 1.61 1 31 GLU 3.81 2.17 1 32 TYR 3.07 3.58 1 33 TRP 3.00 2.93 1 34 LEU 4.66 2.12 1 35 SER 2.73 -0.02 1 36 GLN -1.43 1.84 1 37 ILE 5.03 1.19 1 38 GLN 4.18 0.40 1 39 ASN 2.37 0.09 1 41 MET -4.50 -1.79 1 42 ASN -2.48 1.61 1 45 ALA 2.62 1.41 1 46 LYS 4.66 2.32 1 47 LYS 3.37 2.25 1 48 TRP 5.71 1.74 1 49 TRP -0.19 0.84 1 50 GLU 3.27 1.83 1 51 PHE 1.59 1.31 1 52 LYS 0.06 0.90 1 53 GLN 4.99 0.70 1 55 SER -0.72 -1.05 1 56 VAL 0.12 -0.53 1 57 LYS -0.88 -0.18 1 58 ASN -1.75 -0.97 1 59 TRP 1.61 0.42 1 60 VAL 6.67 3.01 1 61 GLU 2.42 1.80 1 62 PHE 6.50 0.07 1 63 LYS 6.38 1.25 1 64 LYS 4.02 3.63 1 65 GLU 3.60 3.12 1 66 PHE 5.16 2.96 1 67 LEU 4.87 1.22 1 68 GLN 4.06 2.94 1 69 TYR 3.02 1.73 1 70 SER 3.67 0.94 1 71 GLU 1.88 1.37 1 73 THR 1.99 0.26 1 74 LEU 1.11 0.29 1 75 SER 0.21 0.71 1 76 ARG 4.90 1.97 1 77 GLU 3.73 2.12 1 78 ALA 3.30 2.95 1 79 ILE 4.87 1.31 1 80 GLN 4.16 1.23 1 81 ARG 4.29 3.13 1 82 GLU 2.68 3.04 1 83 LEU 4.28 0.68 1 84 ASP 0.82 0.19 1 85 LEU 0.07 0.79 1 87 GLN 1.98 0.07 1 88 LYS -1.21 0.55 1 89 GLN 3.63 1.50 1 91 GLU -2.17 -0.39 1 93 LEU 3.20 -0.31 1 94 ASP 5.90 -0.27 1 95 GLN 3.45 2.94 1 96 PHE 3.36 0.91 1 97 LEU 3.54 1.63 1 98 TRP 3.30 2.53 1 100 LYS 2.68 1.78 1 101 ARG 6.55 1.12 1 102 ASP 4.40 3.51 1 103 LEU 2.36 0.80 1 104 TYR 5.35 2.38 1 105 GLN 2.54 1.02 1 106 THR 5.46 0.39 1 108 TYR -0.28 -0.27 1 109 VAL 3.21 0.74 1 110 ASP 0.18 -0.13 1 111 ALA -0.68 0.24 1 112 GLU -2.61 1.13 1 113 GLU 4.92 1.43 1 114 GLU 4.28 1.68 1 115 GLU 2.59 1.73 1 117 ILE 5.12 -0.05 1 118 GLN 4.38 1.42 1 119 TYR 2.85 3.17 1 120 VAL 3.01 3.06 1 121 VAL 5.42 0.33 1 123 THR -0.28 -0.27 1 124 LEU -1.57 -0.46 1 127 LYS 4.31 0.40 1 128 PHE 1.42 1.42 1 129 LYS 4.32 1.68 1 130 ARG 3.33 0.52 1 131 PHE -0.05 0.06 1 132 LEU 0.53 -2.74 1 133 ARG -1.68 -1.59 1 136 LEU 0.97 -0.51 1 138 LYS -0.29 -0.68 1 140 LEU 4.02 1.17 1 141 GLU 4.01 2.58 1 142 GLN 2.71 2.45 1 143 LEU 4.37 0.05 1 144 ILE 5.38 1.24 1 145 GLN 4.81 3.07 1 146 ARG 3.36 2.84 1 148 MET 2.83 1.62 1 149 GLU 1.55 1.31 1 150 VAL 2.09 0.42 1 151 GLN 1.09 0.07 1 152 ASP 0.81 0.60 1 154 LEU 0.49 0.12 1 155 GLU 0.16 -0.08 1 156 GLN -0.15 -0.47 1 157 ALA -0.23 -0.65 1 158 ALA -0.23 -1.06 1 stop_ save_