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 bmr26985_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.37 _LACS_plot.Line_1_terminator_val_y_1 -5.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -4.19 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 2.88 _LACS_plot.Y_axis_chem_shift_offset 2.60 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 88 GLU 7.02 -4.46 0 22 SER 0.22 -2.27 1 23 SER 0.30 -2.22 1 24 ARG 0.95 -2.14 1 27 ARG -1.41 -2.79 1 28 GLN -1.02 -3.62 1 29 ILE 2.71 -0.96 1 30 VAL -0.06 -2.83 1 31 ALA -2.91 -2.55 1 32 SER -2.78 -3.60 1 33 ASN -1.37 -4.82 1 34 ARG 4.05 0.58 1 35 LYS 2.74 -0.68 1 36 ALA 2.98 0.31 1 37 ARG 3.84 -0.24 1 38 HIS 1.22 -0.16 1 39 ASN -0.86 -1.86 1 40 TYR -3.28 -2.89 1 41 SER -0.62 -3.38 1 42 ILE 2.40 -2.48 1 43 ILE 1.71 -1.88 1 44 GLU -4.57 -3.50 1 45 VAL -3.08 -3.90 1 46 PHE -3.29 -4.09 1 47 GLU -3.12 -3.51 1 48 ALA -6.46 -4.76 1 50 VAL -2.95 -4.61 1 51 ALA 0.31 -3.32 1 52 LEU -4.07 -4.50 1 53 GLN -2.83 -4.03 1 55 THR 2.25 -0.03 1 56 GLU 1.41 -0.33 1 57 VAL 6.61 2.79 1 58 LYS 5.34 1.03 1 59 SER 3.04 0.51 1 60 LEU 3.30 0.20 1 61 ARG 3.25 -0.05 1 62 GLU 0.11 -2.40 1 64 GLN -0.52 -3.34 1 65 ALA -3.04 -3.05 1 66 SER -2.82 -3.82 1 70 SER -1.64 -2.17 1 71 PHE -1.57 -3.88 1 72 ALA -5.71 -5.27 1 73 THR -3.53 -4.50 1 74 ILE 0.46 -2.95 1 75 ASP -3.83 -3.46 1 76 ASP 2.41 -1.42 1 78 GLU -5.26 -5.03 1 79 VAL 0.07 -3.98 1 80 TRP -4.09 -4.42 1 81 LEU -1.63 -3.54 1 82 ARG 0.55 -1.97 1 83 ASN -0.30 -3.44 1 84 ALA -3.78 -1.93 1 85 HIS -0.94 -2.50 1 86 ILE -8.37 -1.65 1 89 TYR -2.12 -2.75 1 90 ARG 0.74 -2.20 1 91 HIS -0.48 -3.20 1 93 SER -0.64 -3.15 1 94 TRP 0.36 -2.35 1 95 THR -2.11 -2.20 1 96 ASN -0.15 -2.46 1 97 HIS 0.28 -3.94 1 100 ARG 0.40 -2.34 1 101 ARG 1.00 -1.93 1 102 ASN -2.62 -3.52 1 103 ARG 1.52 -1.49 1 104 LYS -2.33 -5.21 1 105 LEU -0.25 -4.18 1 106 LEU -5.58 -3.98 1 107 LEU -0.04 -0.56 1 108 HIS 5.17 1.11 1 109 ARG 4.61 0.71 1 110 ARG 2.87 0.38 1 111 GLN 6.52 2.80 1 112 ILE 4.68 1.03 1 113 ASP 5.66 2.03 1 114 THR 3.46 0.87 1 115 LEU 4.77 1.13 1 116 VAL 3.10 0.00 1 118 LYS 5.02 1.53 1 119 ILE 3.40 0.16 1 120 ARG 1.38 -0.93 1 121 GLU 2.18 -1.99 1 123 ASN -3.79 -3.15 1 124 PHE -4.76 -4.39 1 125 ALA -3.41 -4.56 1 126 LEU -4.54 -3.84 1 127 VAL -0.33 -1.59 1 129 LEU -1.21 -2.29 1 130 SER -5.30 -3.91 1 131 LEU -5.43 -5.16 1 132 TYR -2.97 -3.38 1 133 PHE -2.67 -2.76 1 134 ALA 2.64 -2.19 1 135 GLU -3.97 -4.42 1 137 LYS 2.03 -2.41 1 138 VAL -5.95 -5.85 1 139 LYS -6.56 -6.29 1 140 VAL -3.49 -4.15 1 141 GLU -4.84 -4.36 1 142 LEU -5.56 -5.27 1 143 ALA -0.92 -2.84 1 144 LEU -7.04 -4.26 1 145 ALA -4.02 -3.87 1 146 ARG 0.35 -1.97 1 148 LYS -0.02 -2.57 1 149 GLN -0.02 -2.55 1 150 ALA 0.81 -1.18 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26985_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.37 _LACS_plot.Line_1_terminator_val_y_1 2.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -3.83 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.19 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 -4.13 _LACS_plot.Y_axis_chem_shift_offset 2.60 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 88 GLU 7.02 -11.48 0 22 SER 0.22 -2.49 1 23 SER 0.30 -2.52 1 24 ARG 0.95 -3.09 1 27 ARG -1.41 -1.38 1 28 GLN -1.02 -2.60 1 29 ILE 2.71 -3.67 1 30 VAL -0.06 -2.77 1 31 ALA -2.91 0.36 1 32 SER -2.78 -0.82 1 33 ASN -1.37 -3.45 1 34 ARG 4.05 -3.47 1 35 LYS 2.74 -3.42 1 36 ALA 2.98 -2.67 1 37 ARG 3.84 -4.08 1 38 HIS 1.22 -1.38 1 39 ASN -0.86 -1.00 1 40 TYR -3.28 0.39 1 41 SER -0.62 -2.76 1 42 ILE 2.40 -4.88 1 43 ILE 1.71 -3.59 1 44 GLU -4.57 1.07 1 45 VAL -3.08 -0.82 1 46 PHE -3.29 -0.80 1 47 GLU -3.12 -0.39 1 48 ALA -6.46 1.70 1 50 VAL -2.95 -1.66 1 51 ALA 0.31 -3.63 1 52 LEU -4.07 -0.43 1 53 GLN -2.83 -1.20 1 55 THR 2.25 -2.28 1 56 GLU 1.41 -1.74 1 57 VAL 6.61 -3.82 1 58 LYS 5.34 -4.31 1 59 SER 3.04 -2.53 1 60 LEU 3.30 -3.10 1 61 ARG 3.25 -3.30 1 62 GLU 0.11 -2.51 1 64 GLN -0.52 -2.82 1 65 ALA -3.04 -0.01 1 66 SER -2.82 -1.00 1 70 SER -1.64 -0.53 1 71 PHE -1.57 -2.31 1 72 ALA -5.71 0.44 1 73 THR -3.53 -0.97 1 74 ILE 0.46 -3.41 1 75 ASP -3.83 0.37 1 76 ASP 2.41 -3.83 1 78 GLU -5.26 0.23 1 79 VAL 0.07 -4.05 1 80 TRP -4.09 -0.33 1 81 LEU -1.63 -1.91 1 82 ARG 0.55 -2.52 1 83 ASN -0.30 -3.14 1 84 ALA -3.78 1.85 1 85 HIS -0.94 -1.56 1 86 ILE -8.37 6.72 1 89 TYR -2.12 -0.63 1 90 ARG 0.74 -2.94 1 91 HIS -0.48 -2.72 1 93 SER -0.64 -2.51 1 94 TRP 0.36 -2.71 1 95 THR -2.11 -0.09 1 96 ASN -0.15 -2.31 1 97 HIS 0.28 -4.22 1 100 ARG 0.40 -2.74 1 101 ARG 1.00 -2.93 1 102 ASN -2.62 -0.90 1 103 ARG 1.52 -3.01 1 104 LYS -2.33 -2.88 1 105 LEU -0.25 -3.93 1 106 LEU -5.58 1.60 1 107 LEU -0.04 -0.52 1 108 HIS 5.17 -4.06 1 109 ARG 4.61 -3.90 1 110 ARG 2.87 -2.49 1 111 GLN 6.52 -3.72 1 112 ILE 4.68 -3.65 1 113 ASP 5.66 -3.63 1 114 THR 3.46 -2.59 1 115 LEU 4.77 -3.64 1 116 VAL 3.10 -3.10 1 118 LYS 5.02 -3.49 1 119 ILE 3.40 -3.24 1 120 ARG 1.38 -2.31 1 121 GLU 2.18 -4.17 1 123 ASN -3.79 0.64 1 124 PHE -4.76 0.37 1 125 ALA -3.41 -1.15 1 126 LEU -4.54 0.70 1 127 VAL -0.33 -1.26 1 129 LEU -1.21 -1.08 1 130 SER -5.30 1.39 1 131 LEU -5.43 0.27 1 132 TYR -2.97 -0.41 1 133 PHE -2.67 -0.09 1 134 ALA 2.64 -4.83 1 135 GLU -3.97 -0.45 1 137 LYS 2.03 -4.44 1 138 VAL -5.95 0.10 1 139 LYS -6.56 0.27 1 140 VAL -3.49 -0.66 1 141 GLU -4.84 0.48 1 142 LEU -5.56 0.29 1 143 ALA -0.92 -1.92 1 144 LEU -7.04 2.78 1 145 ALA -4.02 0.15 1 146 ARG 0.35 -2.32 1 148 LYS -0.02 -2.55 1 149 GLN -0.02 -2.53 1 150 ALA 0.81 -1.99 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26985_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.37 _LACS_plot.Line_1_terminator_val_y_1 0.83 _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 0.27 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 -0.52 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 ALA -5.71 1.70 0 22 SER 0.22 0.48 1 23 SER 0.30 0.03 1 24 ARG 0.95 -0.04 1 27 ARG -1.41 0.49 1 28 GLN -1.02 0.40 1 29 ILE 2.71 -0.01 1 30 VAL -0.06 0.51 1 31 ALA -2.91 0.40 1 32 SER -2.78 0.02 1 33 ASN -1.37 0.09 1 34 ARG 4.05 -0.23 1 35 LYS 2.74 -0.11 1 36 ALA 2.98 -0.05 1 37 ARG 3.84 -0.13 1 38 HIS 1.22 -0.13 1 39 ASN -0.86 -0.06 1 40 TYR -3.28 0.47 1 41 SER -0.62 0.22 1 42 ILE 2.40 -0.28 1 43 ILE 1.71 -0.04 1 44 GLU -4.57 0.22 1 45 VAL -3.08 0.91 1 46 PHE -3.29 0.14 1 47 GLU -3.12 0.77 1 48 ALA -6.46 0.58 1 50 VAL -2.95 0.52 1 51 ALA 0.31 0.19 1 52 LEU -4.07 0.20 1 53 GLN -2.83 0.22 1 55 THR 2.25 0.44 1 56 GLU 1.41 -0.68 1 57 VAL 6.61 -0.70 1 58 LYS 5.34 -0.56 1 59 SER 3.04 0.27 1 60 LEU 3.30 -0.27 1 61 ARG 3.25 -0.29 1 62 GLU 0.11 0.10 1 64 GLN -0.52 -0.02 1 65 ALA -3.04 0.47 1 66 SER -2.82 0.32 1 70 SER -1.64 0.19 1 71 PHE -1.57 -0.22 1 73 THR -3.53 0.46 1 74 ILE 0.46 0.85 1 75 ASP -3.83 0.45 1 76 ASP 2.41 -0.31 1 78 GLU -5.26 0.20 1 79 VAL 0.07 0.71 1 80 TRP -4.09 0.24 1 81 LEU -1.63 0.19 1 83 ASN 0.55 -0.62 1 84 ALA -0.30 -0.06 1 85 HIS -3.78 0.06 1 86 ILE -0.94 0.03 1 88 GLU -8.37 0.28 1 89 TYR 7.02 0.09 1 90 ARG -2.12 0.45 1 91 HIS 0.74 -0.20 1 93 SER -0.48 -0.59 1 94 TRP -0.64 0.12 1 95 THR 0.36 0.03 1 96 ASN -2.11 0.06 1 97 HIS -0.15 -0.08 1 101 ARG 0.40 -0.14 1 102 ASN 1.00 -0.42 1 103 ARG -2.62 0.76 1 104 LYS 1.52 -0.01 1 105 LEU -2.33 0.56 1 106 LEU -0.25 0.20 1 107 LEU -5.58 0.34 1 108 HIS -0.04 -0.18 1 109 ARG 5.17 -0.45 1 110 ARG 4.61 -0.10 1 111 GLN 2.87 -0.18 1 112 ILE 6.52 -0.29 1 113 ASP 4.68 -0.32 1 114 THR 5.66 -0.05 1 115 LEU 3.46 -0.57 1 116 VAL 4.77 -0.62 1 118 LYS 3.10 -0.09 1 119 ILE 5.02 -0.25 1 120 ARG 3.40 -0.14 1 121 GLU 1.38 -0.12 1 123 ASN 2.18 -0.16 1 124 PHE -3.79 0.57 1 125 ALA -4.76 0.38 1 126 LEU -3.41 1.07 1 127 VAL -4.54 0.21 1 129 LEU -0.33 0.19 1 130 SER -1.21 0.45 1 131 LEU -5.30 0.98 1 132 TYR -5.43 0.85 1 133 PHE -2.97 0.68 1 134 ALA -2.67 0.45 1 135 GLU 2.64 -0.42 1 137 LYS -3.97 -0.42 1 138 VAL 2.03 -0.15 1 139 LYS -5.95 0.54 1 140 VAL -6.56 0.76 1 141 GLU -3.49 0.47 1 142 LEU -4.84 0.26 1 143 ALA -5.56 1.05 1 144 LEU -0.92 0.58 1 145 ALA -7.04 1.10 1 146 ARG -4.02 0.76 1 148 LYS 0.35 -0.03 1 149 GLN -0.02 -0.03 1 150 ALA -0.02 -0.02 1 151 ARG 0.81 -0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26985_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.37 _LACS_plot.Line_1_terminator_val_y_1 -6.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.03 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.69 _LACS_plot.Line_2_terminator_val_x_2 7.01 _LACS_plot.Line_2_terminator_val_y_2 -0.18 _LACS_plot.Y_axis_chem_shift_offset 2.87 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 88 GLU 7.02 -3.40 0 150 ALA 0.81 2.00 0 22 SER 0.22 -2.50 1 23 SER 0.30 -2.30 1 24 ARG 0.95 -1.90 1 27 ARG -1.41 -3.10 1 28 GLN -1.02 -3.50 1 29 ILE 2.71 -2.20 1 30 VAL -0.06 -3.60 1 31 ALA -2.91 -5.20 1 32 SER -2.78 -4.00 1 33 ASN -1.37 -2.40 1 34 ARG 4.05 -0.60 1 35 LYS 2.74 -0.80 1 36 ALA 2.98 -1.40 1 37 ARG 3.84 -1.90 1 38 HIS 1.22 -0.60 1 39 ASN -0.86 -3.60 1 40 TYR -3.28 -3.60 1 41 SER -0.62 -3.20 1 42 ILE 2.40 -3.30 1 43 ILE 1.71 -3.10 1 44 GLU -4.57 -5.70 1 45 VAL -3.08 -4.20 1 46 PHE -3.29 -5.30 1 47 GLU -3.12 -4.40 1 48 ALA -6.46 -3.60 1 50 VAL -2.95 -5.80 1 51 ALA 0.31 -4.60 1 52 LEU -4.07 -3.20 1 53 GLN -2.83 -0.70 1 55 THR 2.25 -0.39 1 56 GLU 1.41 -1.40 1 57 VAL 6.61 -1.32 1 58 LYS 5.34 0.10 1 59 SER 3.04 0.50 1 60 LEU 3.30 -1.00 1 61 ARG 3.25 -1.50 1 62 GLU 0.11 -1.70 1 64 GLN -0.52 -3.80 1 65 ALA -3.04 -3.80 1 66 SER -2.82 -2.70 1 70 SER -1.64 -3.70 1 71 PHE -1.57 -6.90 1 72 ALA -5.71 -4.80 1 73 THR -3.53 -5.10 1 74 ILE 0.46 -3.40 1 75 ASP -3.83 -3.40 1 76 ASP 2.41 -2.90 1 78 GLU -5.26 -6.10 1 79 VAL 0.07 -4.80 1 80 TRP -4.09 -3.90 1 81 LEU -1.63 -4.30 1 82 ARG 0.55 -3.00 1 83 ASN -0.30 -5.40 1 84 ALA -3.78 -2.20 1 85 HIS -0.94 -4.40 1 86 ILE -8.37 -3.20 1 89 TYR -2.12 -2.70 1 90 ARG 0.74 -1.70 1 91 HIS -0.48 -3.30 1 93 SER -0.64 -2.40 1 94 TRP 0.36 -3.40 1 95 THR -2.11 -2.90 1 96 ASN 0.28 -3.20 1 100 ARG 0.40 -3.70 1 101 ARG 1.00 -2.10 1 102 ASN -2.62 -5.30 1 103 ARG 1.52 -4.20 1 104 LYS -2.33 -4.30 1 105 LEU -0.25 -4.50 1 106 LEU -5.58 -4.80 1 107 LEU -0.04 0.40 1 108 HIS 5.17 -1.10 1 109 ARG 4.61 0.80 1 110 ARG 2.87 -0.50 1 111 GLN 6.52 -1.90 1 112 ILE 4.68 0.90 1 113 ASP 5.66 -0.80 1 114 THR 3.46 -2.10 1 115 LEU 4.77 -0.10 1 116 VAL 3.10 0.10 1 118 LYS 5.02 -0.50 1 119 ILE 3.40 -1.10 1 120 ARG 1.38 -1.40 1 121 GLU 2.18 -3.30 1 123 ASN -3.79 -3.70 1 124 PHE -4.76 -5.10 1 125 ALA -3.41 -4.30 1 126 LEU -4.54 -3.70 1 127 VAL -0.33 -2.30 1 129 LEU -1.21 -5.20 1 130 SER -5.30 -4.80 1 131 LEU -5.43 -6.40 1 132 TYR -2.97 -1.80 1 133 PHE -2.67 -3.60 1 134 ALA 2.64 -2.80 1 135 GLU -3.97 -4.70 1 137 LYS 2.03 -4.20 1 138 VAL -5.95 -5.50 1 139 LYS -6.56 -4.60 1 140 VAL -3.49 -4.80 1 141 GLU -4.84 -6.70 1 142 LEU -5.56 -3.00 1 143 ALA -0.92 -4.70 1 144 LEU -7.04 -5.40 1 145 ALA -4.02 -2.50 1 146 ARG 0.35 -2.80 1 148 LYS -0.02 -3.20 1 149 GLN -0.02 -3.80 1 stop_ save_