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 bmr17191_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.43 _LACS_plot.Line_1_terminator_val_y_1 -2.58 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.96 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.22 _LACS_plot.Line_2_terminator_val_x_2 9.41 _LACS_plot.Line_2_terminator_val_y_2 7.07 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 52 ASN 1.04 -2.00 0 22 LEU -7.43 -1.28 0 10 LEU -2.18 -1.36 1 11 ASP -0.65 -0.32 1 12 GLU 4.17 2.28 1 13 ASN -1.62 -0.32 1 14 THR 5.83 5.20 1 15 GLU -3.49 0.42 1 16 ILE -4.51 -1.29 1 17 LEU -6.96 -2.67 1 18 ILE -0.78 -0.80 1 19 LEU -4.40 -2.39 1 21 SER 1.14 0.31 1 24 SER -1.85 -0.52 1 25 ASP 5.85 4.14 1 26 GLU 3.58 3.08 1 27 SER 6.13 5.32 1 28 ILE 5.69 4.98 1 29 ARG 4.69 3.92 1 30 LYS -0.06 0.65 1 31 GLN 3.35 0.33 1 32 GLN -6.70 -1.97 1 33 TYR 2.80 3.65 1 34 TYR 3.49 1.39 1 36 ASN -1.91 -0.23 1 39 ASN -0.21 1.68 1 40 ASP 2.02 1.69 1 41 PHE 5.40 6.18 1 42 TRP 2.39 0.65 1 43 ARG 4.91 4.24 1 44 LEU 2.74 2.57 1 45 VAL 5.57 4.23 1 47 HIS 5.16 4.52 1 48 ALA 1.32 2.63 1 49 ILE -0.00 -0.10 1 51 GLU -6.53 -2.47 1 53 LEU -0.68 1.42 1 54 GLN 4.39 2.92 1 55 ASP 0.25 0.09 1 56 MET -0.20 0.94 1 57 ALA -0.28 -0.47 1 58 TYR 5.83 5.46 1 59 GLU 4.75 3.31 1 60 LYS 3.40 2.49 1 61 LYS 3.92 4.55 1 62 LEU 4.92 3.11 1 63 LYS 4.05 3.85 1 64 THR 7.48 5.43 1 65 LEU 7.38 4.63 1 66 LYS 5.71 4.11 1 67 HIS 3.34 4.35 1 68 ASN -0.46 1.42 1 69 ARG 5.70 1.09 1 70 ILE -2.03 -0.44 1 72 LEU -5.11 -1.61 1 73 TRP -4.12 -3.44 1 74 ASP -4.20 -0.17 1 75 VAL 4.02 3.92 1 77 LYS -0.21 0.71 1 78 ALA -4.67 -1.28 1 80 SER -2.88 -1.91 1 81 ARG -1.45 0.35 1 82 GLU -1.20 -0.60 1 84 SER 0.14 0.31 1 85 GLN 1.44 0.99 1 86 ASP 1.12 0.92 1 87 SER 0.95 0.93 1 88 LYS 0.47 0.10 1 89 ILE -0.53 -0.19 1 91 ASP 1.10 0.90 1 92 GLU 1.83 1.31 1 93 GLU -4.50 -1.82 1 94 ILE 0.03 0.36 1 95 ASN 0.32 0.76 1 96 ASP -0.99 -1.45 1 97 PHE 1.47 1.28 1 98 SER 4.50 3.77 1 100 LEU 4.03 3.48 1 101 LYS 3.84 2.43 1 102 GLU 0.48 1.01 1 103 MET 0.27 2.81 1 104 VAL -1.81 -2.34 1 106 LYS -0.14 -1.50 1 107 LEU 3.24 2.46 1 108 ARG -1.86 0.10 1 109 LEU -4.41 -0.75 1 110 ILE -1.87 -1.68 1 112 PHE -1.72 -1.25 1 113 ASN 0.38 -1.57 1 115 ARG 3.51 2.94 1 116 LYS 5.49 2.70 1 117 ALA 4.45 2.80 1 119 GLU 3.23 2.23 1 120 TYR 2.07 0.57 1 121 GLU 9.41 6.83 1 123 LEU 3.45 2.56 1 124 LEU 2.33 0.23 1 125 ARG 3.87 3.00 1 127 MET 0.18 1.01 1 129 TYR -0.68 0.17 1 130 GLU 0.09 0.14 1 131 THR -5.48 -2.37 1 132 LYS -4.14 -0.85 1 133 VAL 2.31 1.01 1 134 LEU -1.83 -1.69 1 136 SER -0.24 0.15 1 137 SER 2.75 1.79 1 138 SER 0.76 0.73 1 140 ALA 0.93 0.52 1 141 ASN -1.02 -0.70 1 142 ARG 1.59 1.76 1 143 ARG 2.95 2.09 1 144 PHE 0.20 -0.81 1 145 SER 2.33 1.84 1 146 LYS 3.65 2.42 1 147 ASN 2.58 2.11 1 148 ARG 5.74 5.22 1 149 GLU 4.25 4.07 1 150 SER 4.40 3.49 1 151 GLU 3.39 3.26 1 152 TRP 6.27 4.74 1 153 GLU 3.43 3.54 1 154 ALA 2.92 2.37 1 155 VAL 3.52 2.49 1 156 PHE 1.27 1.58 1 157 ARG 2.00 1.56 1 158 HIS 1.55 1.79 1 159 LEU 0.66 0.33 1 160 GLU 0.83 0.64 1 161 HIS 0.15 1.09 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17191_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.43 _LACS_plot.Line_1_terminator_val_y_1 4.85 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.78 _LACS_plot.Line_2_terminator_val_x_2 9.41 _LACS_plot.Line_2_terminator_val_y_2 -2.34 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 52 ASN 1.04 -3.04 0 22 LEU -7.43 6.15 0 10 LEU -2.18 0.82 1 11 ASP -0.65 0.33 1 12 GLU 4.17 -1.89 1 13 ASN -1.62 1.30 1 14 THR 5.83 -0.63 1 15 GLU -3.49 3.91 1 16 ILE -4.51 3.22 1 17 LEU -6.96 4.29 1 18 ILE -0.78 -0.02 1 19 LEU -4.40 2.01 1 21 SER 1.14 -0.83 1 24 SER -1.85 1.33 1 25 ASP 5.85 -1.71 1 26 GLU 3.58 -0.50 1 27 SER 6.13 -0.81 1 28 ILE 5.69 -0.71 1 29 ARG 4.69 -0.77 1 30 LYS -0.06 0.71 1 31 GLN 3.35 -3.02 1 32 GLN -6.70 4.73 1 33 TYR 2.80 0.85 1 34 TYR 3.49 -2.10 1 36 ASN -1.91 1.68 1 39 ASN -0.21 1.89 1 40 ASP 2.02 -0.33 1 41 PHE 5.40 0.78 1 42 TRP 2.39 -1.74 1 43 ARG 4.91 -0.67 1 44 LEU 2.74 -0.17 1 45 VAL 5.57 -1.34 1 47 HIS 5.16 -0.64 1 48 ALA 1.32 1.31 1 49 ILE -0.00 -0.10 1 51 GLU -6.53 4.06 1 53 LEU -0.68 2.10 1 54 GLN 4.39 -1.47 1 55 ASP 0.25 -0.16 1 56 MET -0.20 1.14 1 57 ALA -0.28 -0.19 1 58 TYR 5.83 -0.37 1 59 GLU 4.75 -1.44 1 60 LYS 3.40 -0.91 1 61 LYS 3.92 0.63 1 62 LEU 4.92 -1.81 1 63 LYS 4.05 -0.20 1 64 THR 7.48 -2.05 1 65 LEU 7.38 -2.75 1 66 LYS 5.71 -1.60 1 67 HIS 3.34 1.01 1 68 ASN -0.46 1.88 1 69 ARG 5.70 -4.61 1 70 ILE -2.03 1.59 1 72 LEU -5.11 3.50 1 73 TRP -4.12 0.68 1 74 ASP -4.20 4.03 1 75 VAL 4.02 -0.10 1 77 LYS -0.21 0.92 1 78 ALA -4.67 3.39 1 80 SER -2.88 0.97 1 81 ARG -1.45 1.80 1 82 GLU -1.20 0.60 1 84 SER 0.14 0.17 1 85 GLN 1.44 -0.45 1 86 ASP 1.12 -0.20 1 87 SER 0.95 -0.02 1 88 LYS 0.47 -0.37 1 89 ILE -0.53 0.34 1 91 ASP 1.10 -0.20 1 92 GLU 1.83 -0.52 1 93 GLU -4.50 2.68 1 94 ILE 0.03 0.33 1 95 ASN 0.32 0.44 1 96 ASP -0.99 -0.46 1 97 PHE 1.47 -0.19 1 98 SER 4.50 -0.73 1 100 LEU 4.03 -0.55 1 101 LYS 3.84 -1.41 1 102 GLU 0.48 0.53 1 103 MET 0.27 2.54 1 104 VAL -1.81 -0.53 1 106 LYS -0.14 -1.36 1 107 LEU 3.24 -0.78 1 108 ARG -1.86 1.96 1 109 LEU -4.41 3.66 1 110 ILE -1.87 0.19 1 112 PHE -1.72 0.47 1 113 ASN 0.38 -1.95 1 115 ARG 3.51 -0.57 1 116 LYS 5.49 -2.79 1 117 ALA 4.45 -1.65 1 119 GLU 3.23 -1.00 1 120 TYR 2.07 -1.50 1 121 GLU 9.41 -2.58 1 123 LEU 3.45 -0.89 1 124 LEU 2.33 -2.10 1 125 ARG 3.87 -0.87 1 127 MET 0.18 0.83 1 129 TYR -0.68 0.85 1 130 GLU 0.09 0.05 1 131 THR -5.48 3.11 1 132 LYS -4.14 3.29 1 133 VAL 2.31 -1.30 1 134 LEU -1.83 0.14 1 136 SER -0.24 0.39 1 137 SER 2.75 -0.96 1 138 SER 0.76 -0.03 1 140 ALA 0.93 -0.41 1 141 ASN -1.02 0.32 1 142 ARG 1.59 0.17 1 143 ARG 2.95 -0.86 1 144 PHE 0.20 -1.01 1 145 SER 2.33 -0.49 1 146 LYS 3.65 -1.23 1 147 ASN 2.58 -0.47 1 148 ARG 5.74 -0.52 1 149 GLU 4.25 -0.18 1 150 SER 4.40 -0.91 1 151 GLU 3.39 -0.13 1 152 TRP 6.27 -1.53 1 153 GLU 3.43 0.11 1 154 ALA 2.92 -0.55 1 155 VAL 3.52 -1.03 1 156 PHE 1.27 0.31 1 157 ARG 2.00 -0.44 1 158 HIS 1.55 0.24 1 159 LEU 0.66 -0.33 1 160 GLU 0.83 -0.19 1 161 HIS 0.15 0.94 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17191_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.43 _LACS_plot.Line_1_terminator_val_y_1 0.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.27 _LACS_plot.Line_2_terminator_val_x_2 9.41 _LACS_plot.Line_2_terminator_val_y_2 -0.90 _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 41 PHE 5.40 -1.73 0 32 GLN -6.70 -0.45 0 10 LEU -2.18 0.28 1 11 ASP -0.65 -0.19 1 12 GLU 4.17 0.03 1 13 ASN -1.62 0.15 1 14 THR 5.83 -1.11 1 15 GLU -3.49 0.48 1 16 ILE -4.51 0.94 1 17 LEU -6.96 0.42 1 18 ILE -0.78 0.49 1 19 LEU -4.40 0.78 1 21 SER 1.14 -0.18 1 22 LEU -7.43 -0.11 1 24 SER -1.85 -0.16 1 25 ASP 5.85 -0.31 1 26 GLU 3.58 -0.10 1 27 SER 6.13 -0.25 1 28 ILE 5.69 -0.45 1 29 ARG 4.69 -0.30 1 30 LYS -0.06 -0.25 1 31 GLN 3.35 -1.09 1 33 TYR 2.80 -0.55 1 34 TYR 3.49 0.01 1 36 ASN -1.91 -0.15 1 39 ASN -0.21 -0.22 1 40 ASP 2.02 0.29 1 42 TRP 2.39 -0.58 1 43 ARG 4.91 -0.30 1 44 LEU 2.74 -0.47 1 45 VAL 5.57 -0.94 1 47 HIS 5.16 -0.47 1 48 ALA 1.32 -0.24 1 49 ILE -0.00 0.30 1 51 GLU -6.53 0.32 1 52 ASN 1.04 0.13 1 53 LEU -0.68 -0.06 1 54 GLN 4.39 -0.61 1 55 ASP 0.25 0.06 1 56 MET -0.20 -0.24 1 57 ALA -0.28 -0.02 1 58 TYR 5.83 -0.73 1 59 GLU 4.75 -0.59 1 60 LYS 3.40 -0.26 1 61 LYS 3.92 -0.59 1 62 LEU 4.92 -0.48 1 63 LYS 4.05 -0.46 1 64 THR 7.48 -0.41 1 65 LEU 7.38 -0.47 1 66 LYS 5.71 -0.33 1 67 HIS 3.34 -0.32 1 68 ASN -0.46 -0.15 1 69 ARG 5.70 0.02 1 70 ILE -2.03 0.80 1 72 LEU -5.11 0.95 1 73 TRP -4.12 0.86 1 74 ASP -4.20 0.56 1 75 VAL 4.02 -0.44 1 77 LYS -0.21 -0.36 1 78 ALA -4.67 0.79 1 80 SER -2.88 0.40 1 81 ARG -1.45 0.15 1 82 GLU -1.20 0.14 1 84 SER 0.14 -0.01 1 85 GLN 1.44 -0.01 1 86 ASP 1.12 -0.02 1 87 SER 0.95 -0.12 1 88 LYS 0.47 0.04 1 89 ILE -0.53 0.39 1 91 ASP 1.10 -0.44 1 92 GLU 1.83 -0.28 1 93 GLU -4.50 0.29 1 94 ILE 0.03 0.17 1 95 ASN 0.32 -0.65 1 96 ASP -0.99 -0.10 1 97 PHE 1.47 0.05 1 98 SER 4.50 -0.23 1 100 LEU 4.03 -0.37 1 101 LYS 3.84 -0.03 1 102 GLU 0.48 -0.12 1 103 MET 0.27 -0.30 1 104 VAL -1.81 0.44 1 106 LYS -0.14 0.15 1 107 LEU 3.24 -0.43 1 108 ARG -1.86 0.55 1 109 LEU -4.41 0.60 1 110 ILE -1.87 0.54 1 112 PHE -1.72 0.38 1 113 ASN 0.38 0.00 1 115 ARG 3.51 -0.52 1 116 LYS 5.49 0.03 1 117 ALA 4.45 -0.37 1 119 GLU 3.23 -0.45 1 120 TYR 2.07 -0.26 1 121 GLU 9.41 -0.97 1 123 LEU 3.45 -0.18 1 124 LEU 2.33 0.03 1 125 ARG 3.87 0.21 1 127 MET 0.18 -0.06 1 129 TYR -0.68 0.04 1 130 GLU 0.09 0.06 1 131 THR -5.48 1.52 1 132 LYS -4.14 0.29 1 133 VAL 2.31 0.28 1 134 LEU -1.83 -0.01 1 136 SER -0.24 0.20 1 137 SER 2.75 -0.72 1 138 SER 0.76 -0.17 1 140 ALA 0.93 0.04 1 141 ASN -1.02 0.38 1 142 ARG 1.59 -0.22 1 143 ARG 2.95 -0.30 1 144 PHE 0.20 0.27 1 145 SER 2.33 -0.16 1 146 LYS 3.65 -0.07 1 147 ASN 2.58 -0.03 1 148 ARG 5.74 -0.31 1 149 GLU 4.25 -0.49 1 150 SER 4.40 -0.12 1 151 GLU 3.39 -0.17 1 152 TRP 6.27 -0.62 1 153 GLU 3.43 -0.27 1 154 ALA 2.92 -0.28 1 155 VAL 3.52 -0.52 1 156 PHE 1.27 -0.21 1 157 ARG 2.00 -0.02 1 158 HIS 1.55 -0.15 1 159 LEU 0.66 -0.14 1 160 GLU 0.83 -0.23 1 161 HIS 0.15 -0.16 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17191_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.96 _LACS_plot.Line_1_terminator_val_y_1 -2.57 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.69 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.81 _LACS_plot.Line_2_terminator_val_x_2 7.48 _LACS_plot.Line_2_terminator_val_y_2 2.70 _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 42 TRP 2.39 5.34 0 10 LEU -2.18 -2.23 1 11 ASP -0.65 -1.25 1 12 GLU 4.17 1.48 1 13 ASN -1.62 -0.04 1 14 THR 5.83 -1.03 1 15 GLU -3.49 -0.16 1 16 ILE -4.51 -3.42 1 17 LEU -6.96 -3.74 1 18 ILE -0.78 -1.11 1 19 LEU -4.40 -0.33 1 21 SER 1.14 -2.93 1 24 SER -1.85 -0.88 1 25 ASP 5.85 3.12 1 26 GLU 3.58 2.39 1 27 SER 6.13 1.96 1 28 ILE 5.69 2.91 1 29 ARG 4.69 2.14 1 30 LYS -0.06 -1.45 1 31 GLN 3.35 -1.80 1 32 GLN -6.70 -1.20 1 33 TYR 2.80 0.08 1 34 TYR 3.49 1.02 1 39 ASN -0.21 1.13 1 40 ASP 2.02 -1.01 1 43 ARG 4.91 2.19 1 44 LEU 2.74 2.14 1 45 VAL 5.57 1.36 1 47 HIS 5.16 3.13 1 48 ALA 1.32 0.75 1 49 ILE -0.00 -0.65 1 51 GLU -6.53 -0.94 1 52 ASN 1.04 0.81 1 53 LEU -0.68 1.30 1 54 GLN 4.39 0.74 1 55 ASP 0.25 -0.30 1 57 ALA -0.28 1.11 1 58 TYR 5.83 0.71 1 59 GLU 4.75 2.45 1 60 LYS 3.40 3.14 1 61 LYS 3.92 2.59 1 62 LEU 4.92 1.91 1 63 LYS 4.05 2.74 1 64 THR 7.48 3.14 1 65 LEU 7.38 1.64 1 66 LYS 5.71 5.57 1 67 HIS 3.34 1.79 1 68 ASN -0.46 -3.41 1 69 ARG 5.70 -0.65 1 70 ILE -2.03 -1.25 1 72 LEU -5.11 -1.70 1 73 TRP -4.12 -2.50 1 74 ASP -4.20 -1.22 1 75 VAL 4.02 -1.09 1 77 LYS -0.21 0.34 1 78 ALA -4.67 -2.55 1 80 SER -2.88 -0.88 1 81 ARG -1.45 -1.30 1 82 GLU -1.20 -0.13 1 84 SER 0.14 0.76 1 85 GLN 1.44 -0.03 1 86 ASP 1.12 0.04 1 87 SER 0.95 -0.29 1 88 LYS 0.47 -0.51 1 89 ILE -0.53 -0.17 1 91 ASP 1.10 -0.64 1 92 GLU 1.83 0.00 1 93 GLU -4.50 -0.92 1 94 ILE 0.03 -0.15 1 95 ASN 0.32 -2.83 1 96 ASP -0.99 0.17 1 97 PHE 1.47 1.24 1 98 SER 4.50 1.49 1 100 LEU 4.03 0.35 1 101 LYS 3.84 1.45 1 102 GLU 0.48 1.13 1 103 MET 0.27 0.28 1 106 LYS -0.14 -0.48 1 107 LEU 3.24 -0.87 1 108 ARG -1.86 -0.74 1 109 LEU -4.41 -4.23 1 110 ILE -1.87 -1.27 1 112 PHE -1.72 -1.64 1 113 ASN 0.38 0.04 1 115 ARG 3.51 2.10 1 116 LYS 5.49 2.45 1 117 ALA 4.45 1.02 1 119 GLU 3.23 0.68 1 120 TYR 2.07 -1.63 1 123 LEU 3.45 0.98 1 124 LEU 2.33 2.25 1 125 ARG 3.87 5.13 1 127 MET 0.18 -0.60 1 129 TYR -0.68 0.47 1 130 GLU 0.09 -0.35 1 131 THR -5.48 0.44 1 132 LYS -4.14 -1.77 1 133 VAL 2.31 -1.39 1 136 SER -0.24 2.98 1 137 SER 2.75 -2.28 1 138 SER 0.76 2.01 1 140 ALA 0.93 0.26 1 141 ASN -1.02 0.56 1 142 ARG 1.59 1.14 1 144 PHE 0.20 0.69 1 145 SER 2.33 1.69 1 146 LYS 3.65 1.44 1 147 ASN 2.58 1.42 1 148 ARG 5.74 1.41 1 149 GLU 4.25 1.96 1 150 SER 4.40 2.80 1 151 GLU 3.39 2.75 1 152 TRP 6.27 1.81 1 153 GLU 3.43 2.20 1 154 ALA 2.92 2.21 1 155 VAL 3.52 -0.14 1 156 PHE 1.27 0.37 1 157 ARG 2.00 0.41 1 158 HIS 1.55 1.36 1 159 LEU 0.66 -0.30 1 160 GLU 0.83 -0.02 1 stop_ save_