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 bmr27159_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.93 _LACS_plot.Line_1_terminator_val_y_1 -3.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.26 _LACS_plot.Line_2_terminator_val_x_2 6.73 _LACS_plot.Line_2_terminator_val_y_2 4.49 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 28 TYR 0.18 -4.35 0 10 PHE -6.45 -2.09 1 11 PHE -8.93 -4.56 1 12 ASP -0.21 0.74 1 13 MET -1.59 -3.20 1 14 THR -3.71 -1.72 1 15 VAL -2.22 -0.85 1 18 ALA -2.79 -1.53 1 20 ALA -3.04 -1.23 1 22 ARG -4.57 -1.30 1 23 ILE -3.10 -0.42 1 24 VAL -0.97 -0.50 1 25 MET -5.14 -1.12 1 26 GLU -5.49 -2.50 1 27 LEU -3.97 -2.94 1 29 ALA 2.01 2.21 1 30 LYS 2.10 1.67 1 31 ASP -1.87 2.48 1 32 VAL -0.02 -1.00 1 34 ARG 5.66 4.15 1 35 THR 6.49 5.27 1 36 ALA 3.83 3.46 1 37 GLU 3.12 1.54 1 38 ASN 2.85 3.72 1 39 PHE 3.73 4.42 1 40 ARG 4.95 4.57 1 41 ALA 2.65 1.97 1 42 LEU 3.17 1.76 1 44 THR 1.16 0.89 1 46 GLU 0.86 1.43 1 47 LYS 0.85 -1.64 1 49 VAL 0.14 0.35 1 51 LYS 3.84 2.69 1 52 SER 0.99 1.24 1 54 LYS -1.66 -1.96 1 56 LEU 0.86 -2.35 1 57 HIS -0.15 -0.60 1 58 TYR 3.89 2.78 1 59 LYS -1.25 0.14 1 61 SER -4.38 -1.37 1 62 THR 1.36 -1.45 1 63 PHE -0.32 2.19 1 64 HIS -3.66 -1.04 1 65 ARG -2.39 0.06 1 66 VAL -3.25 -1.29 1 67 ILE 3.82 0.74 1 69 GLU 0.95 0.13 1 70 PHE -2.87 -0.30 1 71 MET -3.53 -1.61 1 73 GLN -0.29 -2.25 1 76 ASP -1.05 -1.50 1 77 PHE 1.77 0.71 1 78 THR -2.08 -0.37 1 79 ARG -1.36 -1.11 1 81 ASN -0.20 0.52 1 83 THR -2.87 0.14 1 86 GLU -5.77 -0.91 1 87 SER 4.36 2.73 1 88 ILE -1.35 -1.49 1 89 TYR 1.37 2.44 1 91 GLU -3.69 -1.25 1 92 LYS -4.74 -2.01 1 93 PHE -0.38 -0.09 1 94 ALA 0.88 1.09 1 95 ASP -0.54 1.54 1 96 GLU -1.22 -0.84 1 97 VAL 1.49 -1.09 1 98 PHE 0.55 1.94 1 99 LYS -1.87 -0.56 1 100 PHE -3.24 -0.82 1 101 LYS 3.94 0.51 1 102 HIS -1.27 -0.66 1 103 ASP -1.16 0.05 1 104 SER -0.46 -1.17 1 107 ILE -3.07 -1.84 1 108 LEU -4.75 -3.22 1 109 SER -0.19 -1.67 1 110 MET -1.06 -0.66 1 111 ALA -0.54 1.07 1 112 ASN -2.05 -1.85 1 113 ALA 3.25 1.43 1 116 ASN -0.56 -1.51 1 117 THR 2.34 2.85 1 118 ASN -3.14 -0.48 1 120 SER -0.99 1.87 1 121 GLN -6.38 -2.38 1 122 PHE -6.46 -3.06 1 123 PHE -2.56 -0.88 1 124 ILE 2.96 0.90 1 126 THR -3.47 -1.61 1 127 VAL 4.02 3.10 1 130 SER 4.43 2.16 1 131 TRP 3.15 -0.09 1 132 LEU 3.93 2.06 1 133 ASP -2.18 0.12 1 135 LYS -3.03 -0.04 1 136 HIS 1.85 2.18 1 137 VAL 1.15 0.64 1 138 VAL -3.62 -1.96 1 139 PHE -3.22 -1.28 1 141 ARG 1.42 1.64 1 142 VAL -1.11 -0.58 1 143 VAL -3.94 -0.20 1 144 GLU 4.97 1.36 1 146 MET 4.63 2.68 1 147 ASP 4.99 3.26 1 148 VAL 6.73 4.98 1 149 VAL 4.50 2.10 1 150 LYS 4.17 2.81 1 151 ALA 4.99 4.10 1 152 ILE 2.45 3.23 1 153 GLU 2.59 2.21 1 154 LYS -0.93 -1.73 1 155 VAL -2.97 -0.38 1 157 SER 4.60 3.79 1 158 ARG 1.46 0.91 1 161 SER -3.68 -2.53 1 162 THR 0.66 1.25 1 163 ALA -6.11 -1.73 1 164 LYS 0.03 0.09 1 166 VAL -4.30 -0.98 1 167 VAL 1.84 -0.44 1 168 ILE 1.47 1.78 1 169 ALA -4.15 -1.30 1 170 ASP -2.41 -0.99 1 173 GLN -1.44 -0.01 1 174 LEU 1.35 2.12 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27159_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.93 _LACS_plot.Line_1_terminator_val_y_1 5.53 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.74 _LACS_plot.Line_2_terminator_val_x_2 6.73 _LACS_plot.Line_2_terminator_val_y_2 -2.24 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 28 TYR 0.18 -4.53 0 10 PHE -6.45 4.36 1 11 PHE -8.93 4.37 1 12 ASP -0.21 0.95 1 13 MET -1.59 -1.61 1 14 THR -3.71 1.99 1 15 VAL -2.22 1.37 1 18 ALA -2.79 1.26 1 20 ALA -3.04 1.81 1 22 ARG -4.57 3.27 1 23 ILE -3.10 2.68 1 24 VAL -0.97 0.47 1 25 MET -5.14 4.02 1 26 GLU -5.49 2.99 1 27 LEU -3.97 1.03 1 29 ALA 2.01 0.20 1 30 LYS 2.10 -0.43 1 31 ASP -1.87 4.35 1 32 VAL -0.02 -0.98 1 34 ARG 5.66 -1.51 1 35 THR 6.49 -1.22 1 36 ALA 3.83 -0.37 1 37 GLU 3.12 -1.58 1 38 ASN 2.85 0.87 1 39 PHE 3.73 0.69 1 40 ARG 4.95 -0.38 1 41 ALA 2.65 -0.68 1 42 LEU 3.17 -1.41 1 44 THR 1.16 -0.27 1 46 GLU 0.86 0.57 1 47 LYS 0.85 -2.49 1 49 VAL 0.14 0.21 1 51 LYS 3.84 -1.15 1 52 SER 0.99 0.25 1 54 LYS -1.66 -0.30 1 56 LEU 0.86 -3.21 1 57 HIS -0.15 -0.45 1 58 TYR 3.89 -1.11 1 59 LYS -1.25 1.39 1 61 SER -4.38 3.01 1 62 THR 1.36 -2.81 1 63 PHE -0.32 2.51 1 64 HIS -3.66 2.62 1 65 ARG -2.39 2.45 1 66 VAL -3.25 1.96 1 67 ILE 3.82 -3.08 1 69 GLU 0.95 -0.82 1 70 PHE -2.87 2.57 1 71 MET -3.53 1.92 1 73 GLN -0.29 -1.96 1 76 ASP -1.05 -0.45 1 77 PHE 1.77 -1.06 1 78 THR -2.08 1.71 1 79 ARG -1.36 0.25 1 81 ASN -0.20 0.72 1 83 THR -2.87 3.01 1 86 GLU -5.77 4.86 1 87 SER 4.36 -1.63 1 88 ILE -1.35 -0.14 1 89 TYR 1.37 1.07 1 91 GLU -3.69 2.44 1 92 LYS -4.74 2.73 1 93 PHE -0.38 0.29 1 94 ALA 0.88 0.21 1 95 ASP -0.54 2.08 1 96 GLU -1.22 0.38 1 97 VAL 1.49 -2.58 1 98 PHE 0.55 1.39 1 99 LYS -1.87 1.31 1 100 PHE -3.24 2.42 1 101 LYS 3.94 -3.43 1 102 HIS -1.27 0.61 1 103 ASP -1.16 1.21 1 104 SER -0.46 -0.71 1 107 ILE -3.07 1.23 1 108 LEU -4.75 1.53 1 109 SER -0.19 -1.48 1 110 MET -1.06 0.40 1 111 ALA -0.54 1.61 1 112 ASN -2.05 0.20 1 113 ALA 3.25 -1.82 1 116 ASN -0.56 -0.95 1 117 THR 2.34 0.51 1 118 ASN -3.14 2.66 1 120 SER -0.99 2.86 1 121 GLN -6.38 4.00 1 122 PHE -6.46 3.40 1 123 PHE -2.56 1.68 1 124 ILE 2.96 -2.06 1 126 THR -3.47 1.86 1 127 VAL 4.02 -0.92 1 130 SER 4.43 -2.27 1 131 TRP 3.15 -3.24 1 132 LEU 3.93 -1.87 1 133 ASP -2.18 2.30 1 135 LYS -3.03 2.99 1 136 HIS 1.85 0.33 1 137 VAL 1.15 -0.51 1 138 VAL -3.62 1.66 1 139 PHE -3.22 1.94 1 141 ARG 1.42 0.22 1 142 VAL -1.11 0.53 1 143 VAL -3.94 3.74 1 144 GLU 4.97 -3.61 1 146 MET 4.63 -1.95 1 147 ASP 4.99 -1.73 1 148 VAL 6.73 -1.75 1 149 VAL 4.50 -2.40 1 150 LYS 4.17 -1.36 1 151 ALA 4.99 -0.89 1 152 ILE 2.45 0.78 1 153 GLU 2.59 -0.38 1 154 LYS -0.93 -0.80 1 155 VAL -2.97 2.59 1 157 SER 4.60 -0.81 1 158 ARG 1.46 -0.55 1 161 SER -3.68 1.15 1 162 THR 0.66 0.59 1 163 ALA -6.11 4.38 1 164 LYS 0.03 0.06 1 166 VAL -4.30 3.32 1 167 VAL 1.84 -2.28 1 168 ILE 1.47 0.31 1 169 ALA -4.15 2.85 1 170 ASP -2.41 1.42 1 173 GLN -1.44 1.43 1 174 LEU 1.35 0.77 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27159_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.93 _LACS_plot.Line_1_terminator_val_y_1 1.16 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.36 _LACS_plot.Line_2_terminator_val_x_2 6.73 _LACS_plot.Line_2_terminator_val_y_2 -0.60 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 135 LYS -3.03 -0.70 0 10 PHE -6.45 1.46 1 11 PHE -8.93 0.76 1 12 ASP -0.21 0.87 1 13 MET -1.59 1.27 1 14 THR -3.71 0.72 1 15 VAL -2.22 0.68 1 18 ALA -2.79 0.37 1 20 ALA -3.04 0.37 1 22 ARG -4.57 1.31 1 23 ILE -3.10 0.46 1 24 VAL -0.97 0.79 1 25 MET -5.14 0.47 1 26 GLU -5.49 0.88 1 27 LEU -3.97 0.45 1 28 TYR 0.18 0.54 1 29 ALA 2.01 -0.47 1 30 LYS 2.10 -0.03 1 31 ASP -1.87 0.15 1 32 VAL -0.02 0.07 1 34 ARG 5.66 -0.27 1 35 THR 6.49 -0.29 1 36 ALA 3.83 -0.19 1 37 GLU 3.12 0.26 1 38 ASN 2.85 -0.70 1 39 PHE 3.73 -0.48 1 40 ARG 4.95 -0.64 1 41 ALA 2.65 -0.47 1 42 LEU 3.17 -0.46 1 44 THR 1.16 0.13 1 46 GLU 0.86 -0.22 1 47 LYS 0.85 -0.02 1 49 VAL 0.14 -0.13 1 51 LYS 3.84 -0.24 1 52 SER 0.99 -0.17 1 54 LYS -1.66 0.33 1 56 LEU 0.86 -0.60 1 57 HIS 3.89 -1.00 1 59 LYS -1.25 0.30 1 61 SER -4.38 1.30 1 62 THR 1.36 0.65 1 63 PHE -0.32 -0.05 1 64 HIS -3.66 0.66 1 65 ARG -2.39 0.33 1 66 VAL -3.25 0.76 1 67 ILE 3.82 -0.59 1 69 GLU 0.95 0.47 1 70 PHE -2.87 0.92 1 71 MET -3.53 0.86 1 73 GLN -0.29 -0.21 1 76 ASP -1.05 0.33 1 77 PHE 1.77 0.41 1 78 THR -2.08 0.21 1 79 ARG -1.36 -0.03 1 81 ASN -0.20 0.18 1 83 THR -2.87 0.15 1 86 GLU -5.77 0.59 1 87 SER 4.36 -0.18 1 88 ILE -1.35 0.15 1 89 TYR 1.37 -0.13 1 91 GLU -3.69 1.07 1 92 LYS -4.74 0.48 1 93 PHE -0.38 -0.45 1 94 ALA 0.88 -0.30 1 95 ASP -0.54 -0.22 1 96 GLU -1.22 -0.06 1 97 VAL 1.49 0.70 1 98 PHE 0.55 -0.34 1 99 LYS -1.87 0.19 1 100 PHE -3.24 0.29 1 101 LYS 3.94 -0.12 1 102 HIS -1.27 0.03 1 103 ASP -1.16 0.18 1 104 SER -0.46 -0.21 1 107 ILE -3.07 0.55 1 108 LEU -4.75 0.81 1 109 SER -0.19 0.94 1 110 MET -1.06 -0.07 1 111 ALA -0.54 -0.12 1 112 ASN -2.05 0.51 1 113 ALA 3.25 -0.62 1 116 ASN -0.56 0.12 1 117 THR 2.34 -0.52 1 118 ASN -3.14 0.31 1 120 SER -0.99 0.90 1 121 GLN -6.38 1.19 1 122 PHE -6.46 1.06 1 123 PHE -2.56 0.73 1 124 ILE 2.96 -0.15 1 126 THR -3.47 0.22 1 127 VAL 4.02 -0.29 1 130 SER 4.43 -0.01 1 131 TRP 3.15 -0.10 1 132 LEU 3.93 0.39 1 133 ASP -2.18 -0.11 1 136 HIS 1.85 -0.15 1 137 VAL 1.15 0.26 1 138 VAL -3.62 0.56 1 139 PHE -3.22 0.61 1 141 ARG 1.42 -0.21 1 142 VAL -1.11 0.46 1 143 VAL -3.94 0.37 1 144 GLU 4.97 0.13 1 146 MET 4.63 -0.32 1 147 ASP 4.99 -0.42 1 148 VAL 6.73 -0.66 1 149 VAL 4.50 -0.08 1 150 LYS 4.17 -0.15 1 151 ALA 4.99 -0.62 1 152 ILE 2.45 -0.74 1 153 GLU 2.59 -0.16 1 154 LYS -0.93 0.73 1 155 VAL 4.60 -0.17 1 158 ARG 1.46 0.16 1 161 SER -3.68 0.90 1 162 THR 0.66 -0.09 1 163 ALA 0.03 0.64 1 166 VAL -4.30 0.28 1 167 VAL 1.84 0.08 1 168 ILE 1.47 -0.26 1 169 ALA -4.15 0.28 1 170 ASP -2.41 0.76 1 173 GLN -1.44 0.33 1 174 LEU 1.35 -0.12 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27159_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.93 _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 0.40 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.72 _LACS_plot.Line_2_terminator_val_x_2 6.73 _LACS_plot.Line_2_terminator_val_y_2 1.81 _LACS_plot.Y_axis_chem_shift_offset 0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 11 PHE -8.93 -0.20 0 34 ARG 5.66 5.56 0 61 SER -4.38 3.93 0 10 PHE -6.45 -3.09 1 12 ASP -0.21 -1.05 1 13 MET -1.59 2.81 1 14 THR -3.71 -1.04 1 15 VAL -2.22 1.78 1 20 ALA -3.04 -1.91 1 22 ARG -4.57 -0.70 1 23 ILE -3.10 -0.86 1 24 VAL -0.97 -0.33 1 25 MET -5.14 -0.71 1 26 GLU -5.49 -2.39 1 27 LEU -3.97 1.02 1 28 TYR 0.18 0.70 1 29 ALA 2.01 0.14 1 30 LYS 2.10 0.93 1 31 ASP -1.87 -0.27 1 35 THR 6.49 3.00 1 36 ALA 3.83 1.42 1 37 GLU 3.12 0.49 1 38 ASN 2.85 -0.68 1 39 PHE 3.73 1.97 1 40 ARG 4.95 2.24 1 41 ALA 2.65 3.95 1 42 LEU 3.17 1.49 1 44 THR 1.16 2.90 1 46 GLU 0.86 -0.22 1 47 LYS 0.85 0.33 1 49 VAL 0.14 0.13 1 51 LYS 3.84 2.96 1 52 SER 0.99 1.10 1 56 LEU 0.86 -3.27 1 57 HIS -0.15 0.86 1 58 TYR 3.89 -0.71 1 59 LYS -1.25 -2.32 1 62 THR 1.36 -1.20 1 63 PHE -0.32 1.22 1 64 HIS -3.66 -2.80 1 65 ARG -2.39 -3.15 1 66 VAL 3.82 -2.72 1 69 GLU 0.95 -2.63 1 70 PHE -2.87 -2.49 1 71 MET -3.53 -2.03 1 73 GLN -0.29 0.27 1 76 ASP -1.05 -0.42 1 77 PHE 1.77 0.89 1 78 THR -2.08 1.29 1 79 ARG -1.36 0.48 1 81 ASN -0.20 1.18 1 83 THR -2.87 -3.61 1 86 GLU -5.77 1.31 1 87 SER 4.36 -0.50 1 88 ILE -1.35 -0.13 1 89 TYR 1.37 -0.85 1 91 GLU -3.69 -0.57 1 92 LYS -4.74 -2.17 1 93 PHE -0.38 -2.46 1 94 ALA 0.88 0.67 1 95 ASP -0.54 -2.43 1 96 GLU -1.22 -2.12 1 97 VAL 1.49 0.37 1 98 PHE 0.55 -0.50 1 99 LYS -1.87 -1.15 1 100 PHE -3.24 0.28 1 101 LYS 3.94 4.06 1 102 HIS -1.27 -0.22 1 103 ASP -0.46 -3.28 1 107 ILE -3.07 -3.41 1 108 LEU -4.75 0.08 1 109 SER -0.19 1.55 1 110 MET -1.06 -2.59 1 111 ALA -0.54 -1.31 1 112 ASN -2.05 -0.91 1 113 ALA 3.25 -0.33 1 116 ASN -0.56 -1.13 1 117 THR 2.34 -1.22 1 118 ASN -3.14 1.34 1 120 SER -0.99 -0.98 1 121 GLN -6.38 -3.73 1 122 PHE -6.46 -1.17 1 123 PHE -2.56 0.94 1 124 ILE 2.96 -2.31 1 126 THR 4.02 1.49 1 130 SER 4.43 0.40 1 131 TRP 3.15 0.06 1 132 LEU 3.93 1.78 1 133 ASP -2.18 -1.13 1 135 LYS -3.03 0.13 1 136 HIS 1.85 -1.56 1 137 VAL 1.15 1.34 1 138 VAL -3.62 -4.08 1 139 PHE -3.22 -1.61 1 141 ARG 1.42 -0.08 1 142 VAL -1.11 -0.41 1 143 VAL -3.94 -1.05 1 144 GLU 4.97 2.42 1 146 MET 4.63 1.93 1 147 ASP 4.99 1.91 1 148 VAL 6.73 1.58 1 149 VAL 4.50 2.50 1 150 LYS 4.17 -1.91 1 151 ALA 4.99 1.06 1 152 ILE 2.45 2.04 1 153 GLU 2.59 1.96 1 154 LYS -0.93 -0.02 1 155 VAL -2.97 0.41 1 157 SER 4.60 1.44 1 158 ARG 1.46 1.14 1 161 SER -3.68 1.58 1 162 THR 0.66 0.03 1 163 ALA 0.03 -1.68 1 166 VAL -4.30 -1.79 1 167 VAL 1.84 -2.82 1 168 ILE 1.47 0.72 1 169 ALA -4.15 -3.05 1 170 ASP -2.41 -0.96 1 173 GLN -1.44 -1.32 1 stop_ save_