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 bmr27579_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.00 _LACS_plot.Line_1_terminator_val_y_1 -3.14 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.12 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.90 _LACS_plot.Line_2_terminator_val_x_2 9.48 _LACS_plot.Line_2_terminator_val_y_2 6.93 _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 59 HIS -9.00 -0.69 0 11 TRP -2.92 -0.11 1 12 GLU -6.56 -1.86 1 13 LYS -1.15 -0.25 1 14 ARG -5.19 -1.60 1 15 MET -2.99 -1.36 1 16 SER -0.20 -0.65 1 17 ARG 3.23 2.51 1 18 SER 2.73 1.86 1 19 SER -1.76 0.15 1 21 ARG -1.87 0.07 1 22 VAL -0.25 -0.07 1 23 TYR -3.43 -2.37 1 24 TYR -3.07 -0.63 1 25 PHE -6.69 -1.77 1 26 ASN -1.88 -2.44 1 27 HIS 2.10 2.35 1 28 ILE 3.67 2.32 1 29 THR -0.77 -0.50 1 30 ASN 3.31 1.72 1 31 ALA -2.09 -0.32 1 32 SER -4.35 -1.38 1 33 GLN -3.63 -0.88 1 34 TRP 0.18 1.22 1 35 GLU -1.29 -0.87 1 36 ARG 0.33 0.16 1 38 SER -1.53 -0.71 1 40 ASN -0.19 0.09 1 41 SER 0.25 0.27 1 42 SER 0.33 0.40 1 43 SER 0.34 0.42 1 46 LYS -0.32 -0.18 1 47 ASN -0.26 1.72 1 49 GLN 0.11 0.17 1 51 GLU -1.06 0.12 1 53 ALA 1.12 1.22 1 54 ARG -4.78 -1.44 1 55 VAL -5.56 -3.33 1 56 ARG -4.50 -0.90 1 58 SER -4.46 -2.02 1 60 LEU -2.20 0.77 1 61 LEU -5.31 -2.49 1 62 VAL -0.58 -0.33 1 63 LYS -2.80 0.56 1 64 HIS -4.86 -0.20 1 65 SER 3.30 2.78 1 66 GLN -0.43 -0.47 1 67 SER 3.40 3.47 1 68 ARG 4.57 2.96 1 69 ARG -2.58 -0.70 1 71 SER -1.80 0.15 1 72 SER -6.88 -1.35 1 73 TRP 3.18 0.67 1 74 ARG 1.63 1.01 1 75 GLN -2.86 -0.02 1 76 GLU 2.83 2.70 1 77 LYS -1.91 -0.90 1 78 ILE 1.29 -0.08 1 79 THR -1.23 -1.11 1 80 ARG -0.31 -0.25 1 81 THR -2.67 -0.76 1 82 LYS 5.12 4.09 1 83 GLU 5.52 4.26 1 84 GLU 2.14 2.39 1 85 ALA 2.84 2.49 1 86 LEU 3.33 2.39 1 87 GLU 3.56 2.93 1 88 LEU 3.41 2.57 1 89 ILE 4.87 1.49 1 90 ASN 4.11 2.85 1 92 TYR 3.58 0.78 1 93 ILE 6.53 6.06 1 94 GLN 4.81 3.42 1 95 LYS 2.97 3.49 1 96 ILE 2.67 2.92 1 97 LYS 4.15 3.71 1 98 SER 0.80 1.19 1 100 GLU 1.28 2.37 1 101 GLU -6.78 -2.35 1 102 ASP -3.93 -1.86 1 103 PHE 4.50 5.05 1 104 GLU 4.22 4.05 1 105 SER 4.16 3.04 1 106 LEU 3.05 2.29 1 107 ALA 5.25 2.98 1 108 SER 2.80 2.76 1 109 GLN -0.14 1.77 1 110 PHE -1.90 -0.21 1 111 SER -3.35 -1.14 1 112 ASP -0.54 1.87 1 114 SER 5.26 4.04 1 115 SER 4.01 3.21 1 116 ALA 2.94 4.07 1 117 LYS 2.93 1.51 1 118 ALA -1.05 -1.70 1 119 ARG 5.79 1.75 1 121 ASP 0.76 1.76 1 122 LEU -2.47 -0.71 1 124 ALA -3.33 -2.13 1 125 PHE -2.93 -1.56 1 126 SER -4.36 -1.60 1 127 ARG 3.73 2.82 1 129 GLN -0.31 2.24 1 130 MET -3.70 -2.99 1 131 GLN 0.62 1.38 1 132 LYS 9.48 7.03 1 134 PHE 2.16 2.93 1 135 GLU 2.94 3.79 1 136 ASP 4.92 3.36 1 137 ALA 1.47 2.20 1 138 SER 5.49 5.14 1 139 PHE 3.83 3.54 1 140 ALA -1.09 -0.37 1 141 LEU -1.04 -0.34 1 142 ARG -0.83 -0.82 1 143 THR 6.80 4.56 1 145 GLU -3.48 -1.00 1 146 MET -7.24 -2.42 1 147 SER -0.36 0.94 1 150 VAL -2.83 -0.50 1 151 PHE 0.06 0.31 1 152 THR -3.82 -1.19 1 153 ASP 2.69 2.17 1 154 SER 3.26 3.08 1 156 ILE -1.50 -1.00 1 157 HIS -4.18 -1.00 1 158 ILE -1.44 1.36 1 159 ILE -3.04 -0.01 1 160 LEU -5.14 -2.03 1 161 ARG 1.39 0.60 1 162 THR 0.66 0.34 1 163 GLU -1.92 1.71 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27579_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.00 _LACS_plot.Line_1_terminator_val_y_1 5.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.88 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.10 _LACS_plot.Line_2_terminator_val_x_2 9.48 _LACS_plot.Line_2_terminator_val_y_2 -2.55 _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 59 HIS -9.00 8.31 0 11 TRP -2.92 2.81 1 12 GLU -6.56 4.70 1 13 LYS -1.15 0.90 1 14 ARG -5.19 3.59 1 15 MET -2.99 1.63 1 16 SER -0.20 -0.45 1 17 ARG 3.23 -0.72 1 18 SER 2.73 -0.87 1 19 SER -1.76 1.91 1 21 ARG -1.87 1.94 1 22 VAL -0.25 0.18 1 23 TYR -3.43 1.06 1 24 TYR -3.07 2.44 1 25 PHE -6.69 4.92 1 26 ASN -1.88 -0.56 1 27 HIS 2.10 0.25 1 28 ILE 3.67 -1.35 1 29 THR -0.77 0.27 1 30 ASN 3.31 -1.59 1 31 ALA -2.09 1.77 1 32 SER -4.35 2.97 1 33 GLN -3.63 2.75 1 34 TRP 0.18 1.04 1 35 GLU -1.29 0.42 1 36 ARG 0.33 -0.17 1 38 SER -1.53 0.82 1 40 ASN -0.19 0.28 1 41 SER 0.25 0.02 1 42 SER 0.33 0.07 1 43 SER 0.34 0.08 1 46 LYS -0.32 0.14 1 47 ASN -0.26 1.98 1 49 GLN 0.11 0.06 1 51 GLU -1.06 1.18 1 53 ALA 1.12 0.10 1 54 ARG -4.78 3.34 1 55 VAL -5.56 2.23 1 56 ARG -4.50 3.60 1 58 SER -4.46 2.44 1 60 LEU -2.20 2.97 1 61 LEU -5.31 2.82 1 62 VAL -0.58 0.25 1 63 LYS -2.80 3.36 1 64 HIS -4.86 4.66 1 65 SER 3.30 -0.52 1 66 GLN -0.43 -0.04 1 67 SER 3.40 0.07 1 68 ARG 4.57 -1.61 1 69 ARG -2.58 1.88 1 71 SER -1.80 1.95 1 72 SER -6.88 5.53 1 73 TRP 3.18 -2.51 1 74 ARG 1.63 -0.62 1 75 GLN -2.86 2.84 1 76 GLU 2.83 -0.13 1 77 LYS -1.91 1.01 1 78 ILE 1.29 -1.37 1 79 THR -1.23 0.12 1 80 ARG -0.31 0.06 1 81 THR -2.67 1.91 1 82 LYS 5.12 -1.03 1 83 GLU 5.52 -1.26 1 84 GLU 2.14 0.25 1 85 ALA 2.84 -0.35 1 86 LEU 3.33 -0.94 1 87 GLU 3.56 -0.63 1 88 LEU 3.41 -0.84 1 89 ILE 4.87 -3.38 1 90 ASN 4.11 -1.26 1 92 TYR 3.58 -2.80 1 93 ILE 6.53 -0.47 1 94 GLN 4.81 -1.39 1 95 LYS 2.97 0.52 1 96 ILE 2.67 0.25 1 97 LYS 4.15 -0.44 1 98 SER 0.80 0.39 1 100 GLU 1.28 1.09 1 101 GLU -6.78 4.43 1 102 ASP -3.93 2.07 1 103 PHE 4.50 0.55 1 104 GLU 4.22 -0.17 1 105 SER 4.16 -1.12 1 106 LEU 3.05 -0.76 1 107 ALA 5.25 -2.27 1 108 SER 2.80 -0.04 1 109 GLN -0.14 1.91 1 110 PHE -1.90 1.69 1 111 SER -3.35 2.21 1 112 ASP -0.54 2.41 1 114 SER 5.26 -1.22 1 115 SER 4.01 -0.80 1 116 ALA 2.94 1.13 1 117 LYS 2.93 -1.42 1 118 ALA -1.05 -0.65 1 119 ARG 5.79 -4.04 1 121 ASP 0.76 1.00 1 122 LEU -2.47 1.76 1 124 ALA -3.33 1.20 1 125 PHE -2.93 1.37 1 126 SER -4.36 2.76 1 127 ARG 3.73 -0.91 1 129 GLN -0.31 2.55 1 130 MET -3.70 0.71 1 131 GLN 0.62 0.76 1 132 LYS 9.48 -2.45 1 134 PHE 2.16 0.77 1 135 GLU 2.94 0.85 1 136 ASP 4.92 -1.56 1 137 ALA 1.47 0.73 1 138 SER 5.49 -0.35 1 139 PHE 3.83 -0.29 1 140 ALA -1.09 0.72 1 141 LEU -1.04 0.70 1 142 ARG -0.83 0.01 1 143 THR 6.80 -2.24 1 145 GLU -3.48 2.48 1 146 MET -7.24 4.82 1 147 SER -0.36 1.30 1 150 VAL -2.83 2.33 1 151 PHE 0.06 0.25 1 152 THR -3.82 2.63 1 153 ASP 2.69 -0.52 1 154 SER 3.26 -0.18 1 156 ILE -1.50 0.50 1 157 HIS -4.18 3.18 1 158 ILE -1.44 2.80 1 159 ILE -3.04 3.03 1 160 LEU -5.14 3.11 1 161 ARG 1.39 -0.79 1 162 THR 0.66 -0.32 1 163 GLU -1.92 3.63 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27579_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.00 _LACS_plot.Line_1_terminator_val_y_1 0.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 0.16 _LACS_plot.Line_2_terminator_val_x_2 9.48 _LACS_plot.Line_2_terminator_val_y_2 -0.90 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 ARG 0.33 -2.05 0 11 TRP -2.92 0.53 1 12 GLU -6.56 0.49 1 13 LYS -1.15 0.08 1 14 ARG -5.19 0.08 1 15 MET -2.99 0.43 1 16 SER -0.20 0.33 1 17 ARG 3.23 -0.21 1 18 SER 2.73 -0.14 1 19 SER -1.76 0.16 1 21 ARG -1.87 0.12 1 22 VAL -0.25 0.57 1 23 TYR -3.43 0.28 1 24 TYR -3.07 0.71 1 25 PHE -6.69 0.99 1 26 ASN -1.88 -0.35 1 27 HIS 2.10 -0.56 1 28 ILE 3.67 -0.31 1 29 THR -0.77 -0.36 1 30 ASN 3.31 -0.57 1 31 ALA -2.09 0.06 1 32 SER -4.35 1.52 1 33 GLN -3.63 0.51 1 34 TRP 0.18 0.30 1 35 GLU -1.29 0.04 1 38 SER -1.53 -0.17 1 40 ASN -0.19 0.03 1 41 SER 0.25 0.04 1 42 SER 0.33 -0.01 1 43 SER 0.34 0.00 1 46 LYS -0.32 0.02 1 47 ASN -0.26 -0.27 1 49 GLN 0.11 0.02 1 51 GLU -1.06 0.03 1 53 ALA 1.12 -0.10 1 54 ARG -4.78 0.65 1 55 VAL -5.56 0.16 1 56 ARG -4.50 0.48 1 58 SER -4.46 1.41 1 59 HIS -9.00 1.55 1 60 LEU -2.20 -0.41 1 61 LEU -5.31 0.33 1 62 VAL -0.58 0.52 1 63 LYS -2.80 -0.19 1 64 HIS -4.86 -0.07 1 65 SER 3.30 -0.38 1 66 GLN -0.43 0.33 1 67 SER 3.40 -0.67 1 68 ARG 4.57 -0.23 1 69 ARG -2.58 0.12 1 71 SER -1.80 -0.07 1 72 SER -6.88 0.56 1 73 TRP 3.18 -0.31 1 74 ARG 1.63 -0.83 1 75 GLN -2.86 -0.09 1 76 GLU 2.83 -0.33 1 77 LYS -1.91 0.34 1 78 ILE 1.29 -0.34 1 79 THR -1.23 -0.01 1 80 ARG -0.31 0.24 1 81 THR -2.67 0.23 1 82 LYS 5.12 -0.90 1 83 GLU 5.52 -0.47 1 84 GLU 2.14 -0.41 1 85 ALA 2.84 -0.34 1 86 LEU 3.33 -0.47 1 87 GLU 3.56 -0.34 1 88 LEU 3.41 -0.72 1 89 ILE 4.87 -0.54 1 90 ASN 4.11 -0.23 1 92 TYR 3.58 -0.15 1 93 ILE 6.53 -0.65 1 94 GLN 4.81 -0.29 1 95 LYS 2.97 -0.23 1 96 ILE 2.67 0.12 1 97 LYS 4.15 -0.23 1 98 SER 0.80 -0.04 1 100 GLU 1.28 -0.33 1 101 GLU -6.78 0.28 1 102 ASP -3.93 0.24 1 103 PHE 4.50 -1.00 1 104 GLU 4.22 -0.54 1 105 SER 4.16 -0.34 1 106 LEU 3.05 -0.37 1 107 ALA 5.25 -0.70 1 108 SER 2.80 0.03 1 109 GLN -0.14 -0.20 1 110 PHE -1.90 0.11 1 111 SER -3.35 0.24 1 112 ASP -0.54 -0.09 1 114 SER 5.26 -0.38 1 115 SER 4.01 -0.24 1 116 ALA 2.94 -0.53 1 117 LYS 2.93 -0.36 1 118 ALA -1.05 0.38 1 119 ARG 5.79 -0.65 1 121 ASP 0.76 0.12 1 122 LEU -2.47 0.12 1 124 ALA -3.33 0.95 1 125 PHE -2.93 0.44 1 126 SER -4.36 0.89 1 127 ARG 3.73 -0.41 1 129 GLN -0.31 0.08 1 130 MET -3.70 0.09 1 131 GLN 0.62 -0.14 1 132 LYS 9.48 -0.42 1 134 PHE 2.16 -0.98 1 135 GLU 2.94 -0.31 1 136 ASP 4.92 -0.23 1 137 ALA 1.47 -0.31 1 138 SER 5.49 -0.42 1 139 PHE 3.83 -0.77 1 140 ALA -1.09 0.08 1 141 LEU -1.04 -0.13 1 142 ARG -0.83 0.02 1 143 THR 6.80 -1.14 1 145 GLU -3.48 0.00 1 146 MET -7.24 1.18 1 147 SER -0.36 -0.15 1 150 VAL -2.83 0.21 1 151 PHE 0.06 0.46 1 152 THR -3.82 0.62 1 153 ASP 2.69 0.02 1 154 SER 3.26 0.21 1 156 ILE -1.50 0.83 1 157 HIS -4.18 1.24 1 158 ILE -1.44 0.00 1 159 ILE -3.04 0.53 1 160 LEU -5.14 0.49 1 161 ARG 1.39 0.76 1 162 THR 0.66 0.03 1 163 GLU -1.92 -0.27 1 stop_ save_