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 bmr18249_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.75 _LACS_plot.Line_1_terminator_val_y_1 -2.02 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.80 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.51 _LACS_plot.Line_2_terminator_val_x_2 7.23 _LACS_plot.Line_2_terminator_val_y_2 6.56 _LACS_plot.Y_axis_chem_shift_offset -1.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 80 ILE 2.11 -0.33 0 127 GLU -4.70 1.42 0 136 ILE 0.42 -1.61 0 10 ALA 0.32 1.34 1 11 GLU 0.20 1.28 1 13 ASP -0.28 0.89 1 14 ASP -0.33 0.95 1 16 THR 1.24 1.99 1 17 ASN 0.47 1.17 1 18 LEU 0.71 1.45 1 19 GLU 0.58 1.59 1 20 SER 0.17 1.05 1 21 ALA 1.36 2.05 1 22 LEU 0.18 1.05 1 23 ILE 4.67 1.56 1 25 LYS -1.02 -0.39 1 27 VAL 0.38 1.38 1 29 LYS 1.57 0.50 1 30 PHE -3.33 -1.75 1 31 ARG 0.27 1.60 1 32 LEU -3.14 -0.97 1 33 GLU -4.03 -0.73 1 34 SER -0.54 0.94 1 35 LEU 3.80 4.52 1 36 ASP 0.62 2.23 1 37 ASN -2.26 -0.62 1 40 GLN -0.29 -0.14 1 41 PHE -4.30 -1.11 1 42 TYR -3.75 -0.16 1 43 GLN -1.11 0.56 1 44 ALA 3.25 3.72 1 45 ASP 3.17 2.81 1 46 VAL 2.34 2.09 1 47 LEU 3.50 3.88 1 48 THR -0.24 -0.10 1 49 GLN 3.15 2.07 1 51 LYS -2.73 0.42 1 53 VAL -5.78 -0.93 1 54 LEU -3.54 -1.31 1 55 LEU -4.75 -0.81 1 56 ASN -5.01 0.56 1 57 VAL 1.72 1.63 1 58 TRP -7.75 -2.23 1 59 ALA -2.04 0.77 1 60 THR 1.86 3.24 1 61 TRP -3.02 -2.66 1 64 THR -0.21 0.55 1 66 ARG 5.86 5.84 1 67 ALA 3.33 3.58 1 68 GLU 3.24 4.20 1 69 HIS 2.26 5.56 1 70 GLN 5.07 4.74 1 71 TYR 3.81 3.83 1 72 LEU 3.36 3.58 1 73 ASN 3.72 4.30 1 74 GLN 4.98 4.12 1 75 LEU 4.77 3.30 1 76 SER 3.29 3.21 1 77 ALA 3.12 2.71 1 78 GLN 0.53 0.72 1 81 ARG 1.59 2.24 1 82 VAL -3.07 -1.21 1 83 VAL -2.39 -0.43 1 85 MET -3.87 -0.03 1 86 ASN -1.97 2.33 1 87 TYR -4.43 0.82 1 88 LYS 3.11 1.64 1 89 ASP -6.26 -2.44 1 90 ASP -2.88 -0.05 1 91 ARG 3.37 5.27 1 92 GLN 4.67 3.95 1 93 LYS 3.71 4.35 1 94 ALA 3.00 4.46 1 95 ILE 4.48 5.76 1 96 SER 4.80 4.94 1 97 TRP 4.04 4.34 1 98 LEU 2.09 2.54 1 99 LYS 3.59 3.97 1 100 GLU 1.93 2.91 1 101 LEU 0.58 1.27 1 105 TYR -0.59 0.00 1 106 ALA 0.53 1.88 1 107 LEU -3.75 0.35 1 108 SER -3.12 -1.09 1 109 LEU -3.37 -0.15 1 110 PHE -4.63 0.55 1 111 ASP -2.50 -0.87 1 113 ASP -2.01 -0.75 1 115 MET 2.79 3.04 1 116 LEU 5.84 3.67 1 118 LEU 3.60 4.37 1 119 ASP 3.62 3.90 1 120 LEU -1.58 0.43 1 123 TYR -0.39 0.64 1 125 ALA -4.05 -0.56 1 128 THR -1.74 2.19 1 129 PHE -4.79 -0.92 1 130 LEU -2.53 0.81 1 131 ILE -2.60 -0.55 1 132 ASP -1.27 0.01 1 134 ASN -1.20 0.43 1 137 ILE 4.69 3.66 1 138 ARG -4.74 -1.62 1 139 TYR -2.76 2.30 1 140 ARG -2.76 0.23 1 141 HIS -3.62 0.58 1 142 ALA 0.20 -0.15 1 144 ASP 0.57 0.61 1 145 LEU 0.92 1.56 1 146 ASN 0.03 0.86 1 148 ARG 5.52 4.63 1 149 VAL 4.01 4.63 1 150 TRP 2.34 4.66 1 151 GLU 3.48 4.32 1 152 GLU 0.64 2.47 1 153 GLU -1.13 1.53 1 154 ILE 3.92 4.20 1 155 LYS 1.45 2.82 1 157 LEU 4.59 5.58 1 158 TRP 3.97 4.27 1 159 GLU 3.75 4.45 1 160 LYS 7.24 5.89 1 161 TYR 4.07 3.97 1 163 LYS 2.63 3.56 1 164 GLU 1.98 2.37 1 165 ALA 1.59 2.03 1 166 ALA 1.54 1.90 1 167 GLN 0.91 1.60 1 168 LEU 0.35 1.51 1 169 GLU -0.12 1.90 1 174 HIS 1.09 3.34 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18249_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.75 _LACS_plot.Line_1_terminator_val_y_1 5.73 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.49 _LACS_plot.Line_2_terminator_val_x_2 7.23 _LACS_plot.Line_2_terminator_val_y_2 -0.67 _LACS_plot.Y_axis_chem_shift_offset -1.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 80 ILE 2.11 -2.44 0 127 GLU -4.70 6.12 0 136 ILE 0.42 -2.03 0 10 ALA 0.32 1.02 1 11 GLU 0.20 1.08 1 13 ASP -0.28 1.17 1 14 ASP -0.33 1.28 1 16 THR 1.24 0.75 1 17 ASN 0.47 0.70 1 18 LEU 0.71 0.74 1 19 GLU 0.58 1.01 1 20 SER 0.17 0.88 1 21 ALA 1.36 0.69 1 22 LEU 0.18 0.87 1 23 ILE 4.67 -3.11 1 25 LYS -1.02 0.63 1 27 VAL 0.38 1.00 1 29 LYS 1.57 -1.07 1 30 PHE -3.33 1.58 1 31 ARG 0.27 1.33 1 32 LEU -3.14 2.17 1 33 GLU -4.03 3.30 1 34 SER -0.54 1.48 1 35 LEU 3.80 0.72 1 36 ASP 0.62 1.61 1 37 ASN -2.26 1.64 1 40 GLN -0.29 0.15 1 41 PHE -4.30 3.19 1 42 TYR -3.75 3.59 1 43 GLN -1.11 1.67 1 44 ALA 3.25 0.47 1 45 ASP 3.17 -0.36 1 46 VAL 2.34 -0.25 1 47 LEU 3.50 0.38 1 48 THR -0.24 0.14 1 49 GLN 3.15 -1.08 1 51 LYS -2.73 3.15 1 53 VAL -5.78 4.85 1 54 LEU -3.54 2.23 1 55 LEU -4.75 3.94 1 56 ASN -5.01 5.57 1 57 VAL 1.72 -0.09 1 58 TRP -7.75 5.52 1 59 ALA -2.04 2.81 1 60 THR 1.86 1.38 1 61 TRP -3.02 0.36 1 64 THR -0.21 0.76 1 66 ARG 5.86 -0.02 1 67 ALA 3.33 0.25 1 68 GLU 3.24 0.96 1 69 HIS 2.26 3.30 1 70 GLN 5.07 -0.33 1 71 TYR 3.81 0.02 1 72 LEU 3.36 0.22 1 73 ASN 3.72 0.58 1 74 GLN 4.98 -0.86 1 75 LEU 4.77 -1.47 1 76 SER 3.29 -0.08 1 77 ALA 3.12 -0.41 1 78 GLN 0.53 0.19 1 81 ARG 1.59 0.65 1 82 VAL -3.07 1.86 1 83 VAL -2.39 1.96 1 85 MET -3.87 3.84 1 86 ASN -1.97 4.30 1 87 TYR -4.43 5.25 1 88 LYS 3.11 -1.47 1 89 ASP -6.26 3.82 1 90 ASP -2.88 2.83 1 91 ARG 3.37 1.90 1 92 GLN 4.67 -0.72 1 93 LYS 3.71 0.64 1 94 ALA 3.00 1.46 1 95 ILE 4.48 1.28 1 96 SER 4.80 0.14 1 97 TRP 4.04 0.30 1 98 LEU 2.09 0.45 1 99 LYS 3.59 0.38 1 100 GLU 1.93 0.98 1 101 LEU 0.58 0.69 1 105 TYR -0.59 0.59 1 106 ALA 0.53 1.35 1 107 LEU -3.75 4.10 1 108 SER -3.12 2.03 1 109 LEU -3.37 3.22 1 110 PHE -4.63 5.18 1 111 ASP -2.50 1.63 1 113 ASP -2.01 1.26 1 115 MET 2.79 0.25 1 116 LEU 5.84 -2.17 1 118 LEU 3.60 0.77 1 119 ASP 3.62 0.28 1 120 LEU -1.58 2.01 1 123 TYR -0.39 1.03 1 125 ALA -4.05 3.49 1 128 THR -1.74 3.93 1 129 PHE -4.79 3.87 1 130 LEU -2.53 3.34 1 131 ILE -2.60 2.05 1 132 ASP -1.27 1.28 1 134 ASN -1.20 1.63 1 137 ILE 4.69 -1.03 1 138 ARG -4.74 3.12 1 139 TYR -2.76 5.06 1 140 ARG -2.76 2.99 1 141 HIS -3.62 4.20 1 142 ALA 0.20 -0.35 1 144 ASP 0.57 0.04 1 145 LEU 0.92 0.64 1 146 ASN 0.03 0.83 1 148 ARG 5.52 -0.89 1 149 VAL 4.01 0.62 1 150 TRP 2.34 2.32 1 151 GLU 3.48 0.84 1 152 GLU 0.64 1.83 1 153 GLU -1.13 2.66 1 154 ILE 3.92 0.28 1 155 LYS 1.45 1.37 1 157 LEU 4.59 0.99 1 158 TRP 3.97 0.30 1 159 GLU 3.75 0.70 1 160 LYS 7.24 -1.35 1 161 TYR 4.07 -0.10 1 163 LYS 2.63 0.93 1 164 GLU 1.98 0.39 1 165 ALA 1.59 0.44 1 166 ALA 1.54 0.36 1 167 GLN 0.91 0.69 1 168 LEU 0.35 1.16 1 169 GLU -0.12 2.02 1 174 HIS 1.09 2.25 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18249_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.75 _LACS_plot.Line_1_terminator_val_y_1 0.62 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.14 _LACS_plot.Line_2_terminator_val_x_2 7.23 _LACS_plot.Line_2_terminator_val_y_2 -0.66 _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 86 ASN -1.97 -1.21 0 128 THR -1.74 1.54 0 10 ALA 0.32 -0.04 1 11 GLU 0.20 -0.10 1 13 ASP -0.28 -0.03 1 14 ASP -0.33 -0.09 1 16 THR 1.24 -0.15 1 17 ASN 0.47 -0.04 1 18 LEU 0.71 -0.05 1 19 GLU 0.58 -0.14 1 20 SER 0.17 -0.06 1 21 ALA 1.36 -0.04 1 22 LEU 0.18 -0.19 1 23 ILE 4.67 -0.59 1 25 LYS -1.02 -0.44 1 27 VAL 0.38 -0.49 1 29 LYS 1.57 -0.15 1 30 PHE -3.33 0.19 1 31 ARG 0.27 0.29 1 32 LEU -3.14 0.53 1 33 GLU -4.03 0.12 1 34 SER -0.54 0.06 1 35 LEU 3.80 -0.47 1 36 ASP 0.62 -0.34 1 37 ASN -2.26 0.10 1 40 GLN -0.29 0.03 1 41 PHE -4.30 0.79 1 42 TYR -3.75 0.28 1 43 GLN -1.11 0.27 1 44 ALA 3.25 -0.50 1 45 ASP 3.17 -0.30 1 46 VAL 2.34 -0.09 1 47 LEU 3.50 -0.35 1 48 THR -0.24 0.01 1 49 GLN 3.15 -0.24 1 51 LYS -2.73 0.03 1 53 VAL -5.78 0.96 1 54 LEU -3.54 1.41 1 55 LEU -4.75 1.01 1 56 ASN -5.01 1.00 1 57 VAL 1.72 0.69 1 58 TRP -7.75 0.43 1 59 ALA -2.04 -0.93 1 60 THR 1.86 -0.56 1 61 TRP -3.02 -0.09 1 64 THR -0.21 0.40 1 66 ARG 5.86 -0.22 1 67 ALA 3.33 0.29 1 68 GLU 3.24 -0.02 1 69 HIS 2.26 -0.38 1 70 GLN 5.07 -0.26 1 71 TYR 3.81 -0.06 1 72 LEU 3.36 -0.91 1 73 ASN 3.72 -0.63 1 74 GLN 4.98 -0.40 1 75 LEU 4.77 -0.89 1 76 SER 3.29 0.13 1 77 ALA 3.12 -0.18 1 78 GLN 0.53 -0.01 1 80 ILE 2.11 -0.49 1 81 ARG 1.59 -0.11 1 82 VAL -3.07 0.94 1 83 VAL -2.39 0.52 1 85 MET -3.87 -0.02 1 87 TYR -4.43 0.00 1 88 LYS 3.11 -0.80 1 89 ASP -6.26 0.54 1 90 ASP -2.88 0.11 1 91 ARG 3.37 -0.79 1 92 GLN 4.67 -0.34 1 93 LYS 3.71 -0.18 1 94 ALA 3.00 -0.21 1 95 ILE 4.48 -0.47 1 96 SER 4.80 -0.28 1 97 TRP 4.04 -0.36 1 98 LEU 2.09 -0.25 1 99 LYS 3.59 -0.31 1 100 GLU 1.93 -0.33 1 101 LEU 0.58 -0.21 1 105 TYR -0.59 0.10 1 106 ALA 0.53 -0.12 1 107 LEU -3.75 0.06 1 108 SER -3.12 0.54 1 109 LEU -3.37 1.16 1 110 PHE -4.63 0.33 1 111 ASP -2.50 0.18 1 113 ASP -2.01 0.03 1 115 MET 2.79 -0.19 1 116 LEU 5.84 -0.16 1 118 LEU 3.60 -0.21 1 119 ASP 3.62 -0.16 1 120 LEU -1.58 -0.24 1 123 TYR -0.39 0.04 1 125 ALA -4.05 -0.20 1 127 GLU -4.70 0.67 1 129 PHE -4.79 0.94 1 130 LEU -2.53 1.04 1 131 ILE -2.60 0.50 1 132 ASP -1.27 -0.53 1 134 ASN -1.20 0.11 1 136 ILE 0.42 -0.06 1 137 ILE 4.69 -0.20 1 138 ARG -4.74 0.45 1 139 TYR -2.76 -0.14 1 140 ARG -2.76 0.30 1 141 HIS -3.62 0.05 1 142 ALA 0.20 0.08 1 144 ASP 0.57 -0.23 1 145 LEU 0.92 -0.35 1 146 ASN 0.03 -0.84 1 148 ARG 5.52 -0.23 1 149 VAL 4.01 -0.47 1 150 TRP 2.34 -0.37 1 151 GLU 3.48 -0.85 1 152 GLU 0.64 -0.22 1 153 GLU -1.13 0.19 1 154 ILE 3.92 -0.66 1 157 LEU 1.45 -0.21 1 158 TRP 4.59 -0.77 1 159 GLU 3.97 -0.48 1 160 LYS 3.75 -0.44 1 161 TYR 7.24 -0.28 1 163 LYS 4.07 -0.21 1 164 GLU 2.63 -0.31 1 165 ALA 1.98 -0.06 1 166 ALA 1.59 -0.04 1 167 GLN 1.54 -0.13 1 168 LEU 0.91 -0.10 1 169 GLU 0.35 -0.23 1 174 HIS -0.12 -0.13 1 175 HIS 1.09 -0.33 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18249_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.75 _LACS_plot.Line_1_terminator_val_y_1 -2.65 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.88 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.01 _LACS_plot.Line_2_terminator_val_x_2 7.23 _LACS_plot.Line_2_terminator_val_y_2 4.36 _LACS_plot.Y_axis_chem_shift_offset -0.95 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 174 HIS 1.09 6.25 0 10 ALA 0.32 1.12 1 11 GLU 0.20 1.55 1 13 ASP -0.28 0.54 1 14 ASP -0.33 1.03 1 16 THR 1.24 1.04 1 17 ASN 0.47 1.17 1 18 LEU 0.71 1.49 1 19 GLU 0.58 1.51 1 20 SER 0.17 1.85 1 21 ALA 1.36 1.08 1 22 LEU 0.18 -0.19 1 23 ILE 4.67 2.78 1 25 LYS -1.02 -0.81 1 27 VAL 0.38 -0.07 1 29 LYS 1.57 1.25 1 30 PHE -3.33 -0.42 1 31 ARG 0.27 -0.22 1 32 LEU -3.14 -1.86 1 33 GLU -4.03 0.13 1 34 SER -0.54 1.84 1 35 LEU 3.80 0.46 1 36 ASP 0.62 0.54 1 37 ASN -2.26 -2.40 1 40 GLN -0.29 -1.59 1 41 PHE -4.30 1.42 1 42 TYR -3.75 0.53 1 43 GLN -1.11 1.77 1 44 ALA 3.25 2.83 1 45 ASP 3.17 2.44 1 46 VAL 2.34 1.21 1 47 LEU 3.50 0.01 1 48 THR -0.24 2.70 1 49 GLN 3.15 1.73 1 51 LYS -2.73 -2.10 1 53 VAL -5.78 -1.93 1 54 LEU -3.54 -1.34 1 55 LEU -4.75 -2.13 1 56 ASN -5.01 -2.21 1 57 VAL 1.72 -0.93 1 58 TRP -7.75 -3.09 1 59 ALA -2.04 1.60 1 60 THR 1.86 1.86 1 61 TRP -3.02 2.80 1 64 THR -0.21 0.76 1 66 ARG 5.86 3.13 1 67 ALA 3.33 4.16 1 68 GLU 3.24 3.91 1 69 HIS 2.26 5.43 1 70 GLN 5.07 3.97 1 71 TYR 3.81 3.10 1 72 LEU 3.36 2.40 1 73 ASN 3.72 4.00 1 74 GLN 4.98 3.75 1 75 LEU 4.77 3.38 1 76 SER 3.29 1.15 1 77 ALA 3.12 2.24 1 78 GLN 0.53 1.10 1 80 ILE 2.11 -0.96 1 81 ARG 1.59 -1.86 1 82 VAL -3.07 0.06 1 83 VAL -2.39 -1.03 1 85 MET -3.87 -2.82 1 86 ASN -1.97 0.05 1 87 TYR -4.43 -3.54 1 88 LYS 3.11 -0.03 1 89 ASP -6.26 0.18 1 90 ASP -2.88 0.45 1 91 ARG 3.37 2.28 1 92 GLN 4.67 4.66 1 93 LYS 3.71 4.03 1 94 ALA 3.00 2.64 1 95 ILE 4.48 4.55 1 96 SER 4.80 2.39 1 97 TRP 4.04 2.61 1 98 LEU 2.09 3.65 1 99 LYS 3.59 2.95 1 100 GLU 1.93 2.76 1 101 LEU 0.58 1.57 1 105 TYR -0.59 2.05 1 106 ALA 0.53 0.78 1 107 LEU -3.75 -2.23 1 108 SER -3.12 0.21 1 109 LEU -3.37 1.38 1 110 PHE -4.63 -2.19 1 111 ASP -2.50 1.69 1 113 ASP -2.01 1.88 1 115 MET 2.79 3.87 1 116 LEU 5.84 3.42 1 118 LEU 3.60 3.89 1 119 ASP 3.62 2.43 1 120 LEU -1.58 -0.79 1 123 TYR -0.39 0.94 1 125 ALA -4.05 -0.70 1 127 GLU -4.70 0.23 1 128 THR -1.74 -0.65 1 129 PHE -4.79 0.95 1 130 LEU -2.53 -2.17 1 131 ILE -2.60 -0.87 1 132 ASP -1.27 0.62 1 134 ASN -1.20 1.37 1 136 ILE 0.42 1.29 1 137 ILE 4.69 0.96 1 138 ARG -4.74 0.62 1 139 TYR -2.76 -2.37 1 140 ARG -2.76 -2.51 1 141 HIS -3.62 -0.42 1 142 ALA 0.20 -1.30 1 144 ASP 0.57 0.92 1 145 LEU 0.92 -2.54 1 146 ASN 0.03 -0.14 1 148 ARG 5.52 2.77 1 149 VAL 4.01 4.07 1 150 TRP 2.34 1.31 1 151 GLU 3.48 2.75 1 152 GLU 0.64 2.41 1 153 GLU -1.13 0.76 1 154 ILE 3.92 0.81 1 155 LYS 1.45 1.58 1 157 LEU 4.59 4.68 1 158 TRP 3.97 3.23 1 159 GLU 3.75 3.95 1 160 LYS 7.24 4.10 1 161 TYR 4.07 3.46 1 163 LYS 2.63 2.91 1 164 GLU 1.98 2.15 1 165 ALA 1.59 2.16 1 166 ALA 1.54 1.83 1 167 GLN 0.91 1.23 1 168 LEU 0.35 1.09 1 169 GLU -0.12 0.99 1 stop_ save_