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 bmr36288_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.62 _LACS_plot.Line_1_terminator_val_y_1 -3.27 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.38 _LACS_plot.Line_2_terminator_val_x_2 7.05 _LACS_plot.Line_2_terminator_val_y_2 5.24 _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 118 GLN 1.58 3.88 0 10 ASP -0.37 0.26 1 11 PHE -5.62 -4.50 1 12 ASN -1.69 -1.28 1 13 ILE 0.10 0.11 1 14 VAL 5.25 4.29 1 15 ALA 3.73 2.81 1 16 VAL 4.96 4.53 1 17 ALA 3.95 3.01 1 18 SER 5.72 4.15 1 19 ASN 1.91 1.11 1 20 PHE 0.83 1.66 1 21 ALA -0.79 -0.06 1 22 THR 1.23 0.69 1 23 THR -1.15 -0.61 1 24 ASP 0.22 0.21 1 25 LEU 1.40 0.92 1 26 ASP 1.26 1.13 1 27 ALA 1.25 1.17 1 28 ASP 0.88 0.99 1 29 ARG 2.17 1.50 1 31 LYS -0.17 -0.21 1 32 LEU -0.12 -0.12 1 35 LYS 0.69 0.00 1 36 LYS -0.76 -0.42 1 37 LEU -0.66 -0.56 1 39 LEU 3.84 3.16 1 40 GLU 4.59 3.42 1 41 VAL 5.25 3.45 1 42 LEU 5.31 3.61 1 43 LYS 4.50 2.97 1 44 GLU 3.50 2.97 1 45 MET 3.59 3.82 1 46 GLU 4.09 3.58 1 47 ALA 4.22 2.89 1 48 ASN 3.67 2.60 1 49 ALA 4.16 2.60 1 50 ARG 4.42 3.34 1 51 LYS 3.89 3.00 1 52 ALA 0.47 0.05 1 55 THR -3.59 -2.40 1 56 ARG 5.77 4.34 1 59 LEU 4.71 3.05 1 60 ILE 4.74 4.30 1 62 LEU 2.86 2.28 1 63 SER 2.96 2.36 1 64 HIS -0.51 -0.28 1 65 ILE 3.89 2.89 1 66 LYS -3.84 -1.71 1 68 THR 1.70 0.01 1 70 LYS 5.05 3.40 1 71 MET 3.63 4.20 1 72 LYS 4.53 3.53 1 73 LYS 1.93 2.08 1 74 PHE 1.78 3.23 1 75 ILE 0.22 0.15 1 78 ARG -0.42 -1.93 1 80 HIS 4.16 3.10 1 81 THR -1.64 -0.87 1 82 TYR -0.13 0.30 1 83 GLU -0.20 0.17 1 85 ASP 0.20 0.22 1 86 LYS 0.55 0.33 1 87 GLU 0.13 0.19 1 88 SER 0.20 0.23 1 89 ALA 0.11 0.19 1 90 GLN 0.36 0.31 1 93 ILE 0.41 0.28 1 95 GLU -0.65 -0.29 1 96 ALA -0.28 -0.23 1 97 ILE -0.15 -0.30 1 98 VAL -0.06 0.17 1 99 ASP -4.46 -1.36 1 100 ILE -0.04 -0.44 1 102 ALA 0.60 0.84 1 103 ILE -1.52 -0.62 1 105 ARG 3.60 0.86 1 106 PHE 4.91 5.26 1 107 LYS 4.32 2.92 1 108 ASP -0.87 0.26 1 109 LEU 0.20 -0.41 1 110 GLU 2.40 1.11 1 112 MET 3.62 1.56 1 113 GLU 2.21 2.60 1 114 GLN 3.41 4.28 1 115 PHE 4.46 4.45 1 116 ILE 3.74 2.76 1 117 ALA 2.61 2.34 1 119 VAL 7.06 5.15 1 120 ASP 2.94 1.75 1 121 LEU 1.25 0.70 1 123 VAL 3.24 1.85 1 124 ASP 0.25 0.62 1 126 THR -3.55 -2.41 1 127 THR 5.70 4.31 1 130 LEU 4.61 2.96 1 131 LYS 3.61 2.99 1 133 LEU 1.59 1.80 1 134 ALA 0.25 0.73 1 135 ASN -1.83 -0.73 1 136 VAL 1.48 0.92 1 139 SER -3.01 -1.69 1 140 ASP 5.03 4.17 1 141 LEU 3.62 3.12 1 142 LEU 3.46 2.57 1 143 LYS 3.99 3.53 1 144 LYS 2.60 2.07 1 145 TRP -0.85 1.42 1 146 LEU -2.03 -1.03 1 149 ARG 1.19 0.40 1 151 ALA 1.34 1.44 1 152 THR 0.59 0.40 1 153 PHE 0.46 0.47 1 154 ALA -0.27 -0.09 1 155 SER 0.33 0.23 1 156 LYS 0.79 0.09 1 157 ILE 0.33 0.14 1 158 GLN 0.52 0.60 1 160 GLN 0.11 0.16 1 161 VAL 0.38 0.31 1 162 ASP 0.27 0.37 1 163 LYS 0.60 0.41 1 164 ILE 0.33 0.12 1 165 LYS 0.58 0.41 1 167 ALA -0.07 0.13 1 170 ASP 0.33 0.14 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36288_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.62 _LACS_plot.Line_1_terminator_val_y_1 2.35 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.72 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.62 _LACS_plot.Line_2_terminator_val_x_2 7.05 _LACS_plot.Line_2_terminator_val_y_2 -1.81 _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 118 GLN 1.58 2.30 0 10 ASP -0.37 0.63 1 11 PHE -5.62 1.12 1 12 ASN -1.69 0.41 1 13 ILE 0.10 0.01 1 14 VAL 5.25 -0.96 1 15 ALA 3.73 -0.92 1 16 VAL 4.96 -0.43 1 17 ALA 3.95 -0.94 1 18 SER 5.72 -1.57 1 19 ASN 1.91 -0.80 1 20 PHE 0.83 0.83 1 21 ALA -0.79 0.73 1 22 THR 1.23 -0.54 1 23 THR -1.15 0.54 1 24 ASP 0.22 -0.01 1 25 LEU 1.40 -0.48 1 26 ASP 1.26 -0.13 1 27 ALA 1.25 -0.08 1 28 ASP 0.88 0.11 1 29 ARG 2.17 -0.67 1 31 LYS -0.17 -0.04 1 32 LEU -0.12 0.00 1 35 LYS 0.69 -0.69 1 36 LYS -0.76 0.34 1 37 LEU -0.66 0.10 1 39 LEU 3.84 -0.68 1 40 GLU 4.59 -1.17 1 41 VAL 5.25 -1.80 1 42 LEU 5.31 -1.70 1 43 LYS 4.50 -1.53 1 44 GLU 3.50 -0.53 1 45 MET 3.59 0.23 1 46 GLU 4.09 -0.51 1 47 ALA 4.22 -1.33 1 48 ASN 3.67 -1.07 1 49 ALA 4.16 -1.56 1 50 ARG 4.42 -1.08 1 51 LYS 3.89 -0.89 1 52 ALA 0.47 -0.42 1 55 THR -3.59 1.19 1 56 ARG 5.77 -1.43 1 59 LEU 4.71 -1.66 1 60 ILE 4.74 -0.44 1 62 LEU 2.86 -0.58 1 63 SER 2.96 -0.60 1 64 HIS -0.51 0.23 1 65 ILE 3.89 -1.00 1 66 LYS -3.84 2.13 1 68 THR 1.70 -1.69 1 70 LYS 5.05 -1.65 1 71 MET 3.63 0.57 1 72 LYS 4.53 -1.00 1 73 LYS 1.93 0.15 1 74 PHE 1.78 1.45 1 75 ILE 0.22 -0.07 1 78 ARG -0.42 -1.51 1 80 HIS 4.16 -1.06 1 81 THR -1.64 0.77 1 82 TYR -0.13 0.43 1 83 GLU -0.20 0.37 1 85 ASP 0.20 0.02 1 86 LYS 0.55 -0.22 1 87 GLU 0.13 0.06 1 88 SER 0.20 0.03 1 89 ALA 0.11 0.08 1 90 GLN 0.36 -0.05 1 93 ILE 0.41 -0.13 1 95 GLU -0.65 0.36 1 96 ALA -0.28 0.05 1 97 ILE -0.15 -0.15 1 98 VAL -0.06 0.23 1 99 ASP -4.46 3.10 1 100 ILE -0.04 -0.40 1 102 ALA 0.60 0.24 1 103 ILE -1.52 0.90 1 105 ARG 3.60 -2.74 1 106 PHE 4.91 0.35 1 107 LYS 4.32 -1.40 1 108 ASP -0.87 1.13 1 109 LEU 0.20 -0.61 1 110 GLU 2.40 -1.29 1 112 MET 3.62 -2.06 1 113 GLU 2.21 0.39 1 114 GLN 3.41 0.87 1 115 PHE 4.46 -0.01 1 116 ILE 3.74 -0.98 1 117 ALA 2.61 -0.27 1 119 VAL 7.06 -1.91 1 120 ASP 2.94 -1.19 1 121 LEU 1.25 -0.55 1 123 VAL 3.24 -1.39 1 124 ASP 0.25 0.37 1 126 THR -3.55 1.14 1 127 THR 5.70 -1.39 1 130 LEU 4.61 -1.65 1 131 LYS 3.61 -0.62 1 133 LEU 1.59 0.21 1 134 ALA 0.25 0.48 1 135 ASN -1.83 1.10 1 136 VAL 1.48 -0.56 1 139 SER -3.01 1.32 1 140 ASP 5.03 -0.86 1 141 LEU 3.62 -0.50 1 142 LEU 3.46 -0.89 1 143 LYS 3.99 -0.46 1 144 LYS 2.60 -0.53 1 145 TRP -0.85 2.27 1 146 LEU -2.03 1.00 1 149 ARG 1.19 -0.79 1 151 ALA 1.34 0.10 1 152 THR 0.59 -0.19 1 153 PHE 0.46 0.01 1 154 ALA -0.27 0.18 1 155 SER 0.33 -0.10 1 156 LYS 0.79 -0.70 1 157 ILE 0.33 -0.19 1 158 GLN 0.52 0.08 1 160 GLN 0.11 0.05 1 161 VAL 0.38 -0.07 1 162 ASP 0.27 0.10 1 163 LYS 0.60 -0.19 1 164 ILE 0.33 -0.21 1 165 LYS 0.58 -0.17 1 167 ALA -0.07 0.20 1 170 ASP 0.33 -0.19 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36288_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.62 _LACS_plot.Line_1_terminator_val_y_1 0.44 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.13 _LACS_plot.Line_2_terminator_val_x_2 7.05 _LACS_plot.Line_2_terminator_val_y_2 -0.68 _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 11 PHE -5.62 0.04 0 19 ASN 1.91 0.45 0 10 ASP -0.37 -0.06 1 12 ASN -1.69 0.01 1 13 ILE 0.10 -0.08 1 14 VAL 5.25 -0.66 1 15 ALA 3.73 -0.47 1 16 VAL 4.96 -0.38 1 17 ALA 3.95 -0.25 1 18 SER 5.72 -0.39 1 20 PHE 0.83 -0.37 1 21 ALA -0.79 0.27 1 22 THR 1.23 -0.05 1 23 THR -1.15 0.06 1 24 ASP 0.22 -0.06 1 25 LEU 1.40 -0.07 1 26 ASP 1.26 -0.16 1 27 ALA 1.25 -0.16 1 28 ASP 0.88 -0.06 1 29 ARG 2.17 -0.23 1 31 LYS -0.17 0.02 1 32 LEU -0.12 -0.05 1 35 LYS 0.69 -0.04 1 36 LYS -0.76 0.04 1 37 LEU -0.66 -0.50 1 39 LEU 3.84 -0.45 1 40 GLU 4.59 -0.48 1 41 VAL 5.25 -0.67 1 42 LEU 5.31 -0.55 1 43 LYS 4.50 -0.34 1 44 GLU 3.50 -0.17 1 45 MET 3.59 -0.42 1 46 GLU 4.09 -0.58 1 47 ALA 4.22 -0.26 1 48 ASN 3.67 -0.33 1 49 ALA 4.16 -0.40 1 50 ARG 4.42 -0.08 1 51 LYS 3.89 -0.29 1 52 ALA 0.47 -0.06 1 55 THR -3.59 0.15 1 56 ARG 5.77 -0.69 1 59 LEU 4.71 -0.72 1 60 ILE 4.74 -0.69 1 62 LEU 2.86 -0.22 1 63 SER 2.96 -0.22 1 64 HIS -0.51 0.15 1 65 ILE 3.89 -0.46 1 66 LYS -3.84 0.27 1 68 THR 1.70 0.09 1 70 LYS 5.05 0.00 1 71 MET 3.63 -0.53 1 72 LYS 4.53 -0.70 1 73 LYS 1.93 -0.43 1 74 PHE 1.78 -0.05 1 75 ILE 0.22 0.31 1 78 ARG -0.42 0.01 1 80 HIS 4.16 -0.21 1 81 THR -1.64 0.15 1 82 TYR -0.13 0.04 1 83 GLU -0.20 -0.12 1 85 ASP 0.20 -0.05 1 86 LYS 0.55 -0.06 1 87 GLU 0.13 -0.12 1 88 SER 0.20 -0.09 1 89 ALA 0.11 0.00 1 90 GLN 0.36 -0.04 1 93 ILE 0.41 -0.02 1 95 GLU -0.65 -0.07 1 96 ALA -0.28 0.03 1 97 ILE -0.15 -0.02 1 98 VAL -0.06 0.05 1 99 ASP -4.46 0.32 1 100 ILE -0.04 -0.30 1 102 ALA 0.60 -0.20 1 103 ILE -1.52 0.07 1 105 ARG 3.60 -0.30 1 106 PHE 4.91 -0.80 1 107 LYS 4.32 -0.61 1 108 ASP -0.87 -0.03 1 109 LEU 0.20 -0.17 1 110 GLU 2.40 -0.36 1 112 MET 3.62 0.07 1 113 GLU 2.21 -0.28 1 114 GLN 3.41 -0.48 1 115 PHE 4.46 -0.37 1 116 ILE 3.74 -0.77 1 117 ALA 2.61 -0.15 1 118 GLN 1.58 -0.35 1 119 VAL 7.06 -0.98 1 120 ASP 2.94 -0.41 1 121 LEU 1.25 -0.11 1 123 VAL 3.24 -0.16 1 124 ASP 0.25 -0.07 1 126 THR -3.55 0.28 1 127 THR 5.70 -0.47 1 130 LEU 4.61 -0.74 1 131 LYS 3.61 -0.28 1 133 LEU 1.59 -0.36 1 134 ALA 0.25 -0.02 1 135 ASN -1.83 0.20 1 136 VAL 1.48 -0.19 1 139 SER -3.01 -0.07 1 140 ASP 5.03 -0.34 1 141 LEU 3.62 -0.11 1 142 LEU 3.46 -0.23 1 143 LYS 3.99 -0.57 1 144 LYS 2.60 -0.44 1 145 TRP -0.85 -0.18 1 146 LEU -2.03 0.24 1 149 ARG 1.19 0.00 1 151 ALA 1.34 -0.01 1 152 THR 0.59 -0.11 1 153 PHE 0.46 -0.11 1 154 ALA -0.27 -0.08 1 155 SER 0.33 -0.15 1 156 LYS 0.79 -0.02 1 157 ILE 0.33 -0.05 1 158 GLN 0.52 -0.06 1 160 GLN 0.11 0.00 1 161 VAL 0.38 -0.05 1 162 ASP 0.27 -0.07 1 163 LYS 0.60 -0.06 1 164 ILE 0.33 -0.08 1 165 LYS 0.58 -0.06 1 167 ALA -0.07 0.01 1 170 ASP 0.33 -0.04 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36288_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.62 _LACS_plot.Line_1_terminator_val_y_1 -2.59 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.08 _LACS_plot.Line_2_terminator_val_x_2 7.05 _LACS_plot.Line_2_terminator_val_y_2 2.81 _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 126 THR -3.55 0.88 0 50 ARG 4.42 4.91 0 10 ASP -0.37 -1.20 1 11 PHE -5.62 -2.54 1 13 ILE 0.10 -1.59 1 14 VAL 5.25 2.08 1 15 ALA 3.73 1.13 1 16 VAL 4.96 1.73 1 17 ALA 3.95 2.89 1 18 SER 5.72 0.30 1 19 ASN 1.91 -0.39 1 20 PHE 0.83 -0.69 1 21 ALA -0.79 -0.07 1 22 THR 1.23 0.02 1 23 THR -1.15 -1.14 1 24 ASP 0.22 0.06 1 25 LEU 1.40 -0.30 1 26 ASP 1.26 0.61 1 27 ALA 1.25 0.62 1 28 ASP 0.88 1.04 1 29 ARG 2.17 0.92 1 31 LYS -0.17 -0.16 1 32 LEU -0.12 -0.40 1 35 LYS 0.69 -0.72 1 36 LYS -0.76 -0.72 1 37 LEU -0.66 -1.60 1 39 LEU 3.84 0.95 1 40 GLU 4.59 2.76 1 41 VAL 5.25 0.53 1 42 LEU 5.31 2.28 1 43 LYS 4.50 3.06 1 44 GLU 3.50 2.03 1 45 MET 3.59 3.02 1 46 GLU 4.09 1.65 1 47 ALA 4.22 3.02 1 48 ASN 3.67 2.92 1 49 ALA 4.16 1.48 1 51 LYS 3.89 1.05 1 52 ALA 0.47 -1.14 1 55 THR -3.59 0.45 1 56 ARG 5.77 1.60 1 59 LEU 4.71 1.81 1 60 ILE 4.74 1.76 1 62 LEU 2.86 2.24 1 63 SER 2.96 -0.22 1 64 HIS -0.51 -0.11 1 65 ILE 3.89 -0.73 1 66 LYS -3.84 -0.93 1 68 THR 1.70 -0.07 1 70 LYS 5.05 2.21 1 71 MET 3.63 0.53 1 72 LYS 4.53 0.92 1 73 LYS 1.93 1.17 1 74 PHE 1.78 1.07 1 75 ILE 0.22 -2.43 1 78 ARG -0.42 -0.89 1 80 HIS 4.16 1.44 1 81 THR -1.64 -1.14 1 82 TYR -0.13 -0.36 1 83 GLU -0.20 -0.03 1 85 ASP 0.20 0.14 1 86 LYS 0.55 0.27 1 87 GLU 0.13 0.27 1 88 SER 0.20 -0.01 1 89 ALA 0.11 0.10 1 90 GLN 0.36 0.61 1 93 ILE 0.41 0.47 1 95 GLU -0.65 -0.63 1 96 ALA -0.28 -0.41 1 97 ILE -0.15 -0.86 1 98 VAL -0.06 -2.18 1 99 ASP -4.46 -1.92 1 100 ILE -0.04 -1.65 1 102 ALA 0.60 -0.54 1 103 ILE -1.52 -1.91 1 105 ARG 3.60 0.27 1 106 PHE 4.91 2.19 1 107 LYS 4.32 0.10 1 108 ASP -0.87 -0.16 1 109 LEU 0.20 -0.99 1 110 GLU 2.40 0.64 1 112 MET 3.62 2.55 1 113 GLU 2.21 2.81 1 114 GLN 3.41 3.11 1 115 PHE 4.46 0.64 1 116 ILE 3.74 0.86 1 117 ALA 2.61 2.55 1 118 GLN 1.58 2.63 1 119 VAL 7.06 3.41 1 120 ASP 2.94 1.35 1 121 LEU 1.25 1.29 1 123 VAL 3.24 0.01 1 124 ASP 0.25 1.26 1 127 THR 5.70 2.69 1 130 LEU 4.61 2.88 1 131 LYS 3.61 2.81 1 133 LEU 1.59 -0.21 1 134 ALA 0.25 -0.24 1 135 ASN -1.83 -0.69 1 136 VAL 1.48 -0.89 1 139 SER -3.01 -0.39 1 140 ASP 5.03 2.20 1 141 LEU 3.62 1.16 1 142 LEU 3.46 0.90 1 143 LYS 3.99 0.70 1 144 LYS 2.60 1.00 1 145 TRP -0.85 -1.03 1 146 LEU -2.03 -1.92 1 149 ARG 1.19 1.26 1 151 ALA 1.34 0.36 1 152 THR 0.59 -0.06 1 153 PHE 0.46 -0.56 1 154 ALA -0.27 -0.63 1 155 SER 0.33 0.00 1 156 LYS 0.79 0.00 1 157 ILE 0.33 -0.10 1 158 GLN 0.52 0.31 1 160 GLN 0.11 0.14 1 161 VAL 0.38 -0.50 1 162 ASP 0.27 -0.20 1 163 LYS 0.60 -0.07 1 164 ILE 0.33 0.00 1 165 LYS 0.58 0.49 1 167 ALA -0.07 0.49 1 stop_ save_