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 bmr4567_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.11 _LACS_plot.Line_1_terminator_val_y_1 -3.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 -1.28 _LACS_plot.Line_2_terminator_val_x_2 6.61 _LACS_plot.Line_2_terminator_val_y_2 4.91 _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 130 HIS -0.36 2.88 0 10 LYS 4.09 3.33 1 11 GLU 3.85 3.50 1 12 ILE 4.51 3.43 1 13 GLN 4.36 2.97 1 14 ALA 2.85 2.29 1 15 VAL 5.39 3.84 1 16 LYS 3.50 2.71 1 17 ASP 0.89 0.75 1 18 ASP -1.71 -1.40 1 20 ALA 1.64 0.94 1 21 ALA 1.32 0.46 1 22 HIS 3.33 2.19 1 23 ILE -4.20 -2.21 1 24 THR -3.50 -1.79 1 25 LEU -4.84 -0.72 1 26 GLU -7.11 -2.73 1 27 PHE 0.83 0.49 1 28 VAL 4.16 2.89 1 29 SER -2.99 -1.79 1 30 GLU 2.20 1.81 1 31 SER 0.81 0.53 1 32 ASP -2.35 -1.06 1 33 ILE 0.79 0.33 1 34 HIS 0.09 1.60 1 35 HIS -2.99 -1.19 1 36 LEU -5.19 -0.82 1 37 LYS -4.29 -2.47 1 39 THR -3.93 -1.71 1 40 PHE -4.02 -2.04 1 41 LEU -2.17 -2.13 1 46 THR -1.43 -0.63 1 48 TYR -1.43 -1.75 1 49 GLU 1.28 1.40 1 52 LYS -1.04 -0.69 1 53 PHE -1.79 -0.23 1 55 VAL -3.60 -1.56 1 56 ASP -1.74 1.24 1 57 ILE -2.98 -0.69 1 58 GLU -4.66 -2.28 1 59 VAL -2.31 -2.72 1 61 MET 3.63 2.65 1 62 GLU 1.00 0.48 1 63 TYR -0.53 2.19 1 65 PHE 3.84 2.54 1 66 LYS -6.26 -3.87 1 69 LYS -4.68 -1.28 1 72 PHE 5.26 3.91 1 73 ASP 1.39 1.18 1 74 THR 0.13 1.44 1 75 LYS 1.51 0.82 1 76 VAL -3.41 -0.97 1 77 TYR 2.16 1.79 1 80 ASN 0.06 2.31 1 81 ILE -5.91 -1.81 1 82 SER 0.67 0.02 1 83 SER 3.46 2.89 1 84 VAL 1.52 2.38 1 85 THR -1.53 -0.08 1 87 ALA 0.32 0.66 1 88 ILE -4.48 -0.56 1 90 LEU -3.47 -0.68 1 91 ASP 6.12 4.31 1 92 ILE 3.25 3.19 1 93 LEU 0.17 -1.00 1 94 ARG -0.30 0.23 1 95 ASN 1.75 1.73 1 96 ALA -0.95 -1.44 1 97 TRP 1.09 1.61 1 98 SER -3.21 -2.09 1 100 VAL 1.29 -0.03 1 101 ILE 4.21 1.10 1 102 THR -5.37 -3.10 1 103 LEU 4.95 3.66 1 104 LYS 4.94 4.34 1 105 SER 3.93 3.00 1 106 ALA 4.63 3.00 1 107 LEU 4.53 3.34 1 108 ILE 5.63 4.06 1 110 LEU 3.28 2.27 1 111 GLN 3.93 3.94 1 112 ALA 3.41 1.97 1 113 LEU 1.72 1.55 1 114 LEU 6.00 3.20 1 115 GLN 1.73 2.12 1 116 SER -1.86 -1.88 1 118 GLU -2.55 0.79 1 120 ASN 1.70 0.85 1 121 ASP -2.66 -2.66 1 123 GLN -0.14 0.09 1 124 ASP -2.87 -1.20 1 125 ALA 3.76 3.10 1 126 GLU 3.77 3.10 1 127 VAL 5.10 4.15 1 128 ALA 3.65 3.13 1 129 GLN 4.09 3.15 1 131 TYR 4.10 3.89 1 132 LEU 0.66 1.41 1 133 ARG 2.03 2.20 1 134 ASP -0.93 -0.97 1 135 ARG 3.62 1.75 1 136 GLU 3.54 2.79 1 137 SER 3.41 1.82 1 138 PHE 6.39 5.09 1 139 ASN 4.07 2.47 1 140 LYS 4.08 3.42 1 141 THR 6.62 5.52 1 142 ALA 4.73 3.08 1 143 ALA 3.65 2.44 1 144 LEU 4.54 3.33 1 145 TRP 5.15 3.96 1 147 ARG 3.93 3.14 1 148 LEU 2.45 1.92 1 149 TYR -1.79 -0.60 1 150 ALA -2.84 -1.63 1 151 SER 0.10 1.33 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4567_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.11 _LACS_plot.Line_1_terminator_val_y_1 3.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.73 _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 6.61 _LACS_plot.Line_2_terminator_val_y_2 -1.70 _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 130 HIS -0.36 3.24 0 10 LYS 4.09 -0.76 1 11 GLU 3.85 -0.35 1 12 ILE 4.51 -1.08 1 13 GLN 4.36 -1.39 1 14 ALA 2.85 -0.56 1 15 VAL 5.39 -1.55 1 16 LYS 3.50 -0.79 1 17 ASP 0.89 -0.14 1 18 ASP -1.71 0.31 1 20 ALA 1.64 -0.70 1 21 ALA 1.32 -0.86 1 22 HIS 3.33 -1.14 1 23 ILE -4.20 1.99 1 24 THR -3.50 1.71 1 25 LEU -4.84 4.12 1 26 GLU -7.11 4.38 1 27 PHE 0.83 -0.34 1 28 VAL 4.16 -1.27 1 29 SER -2.99 1.20 1 30 GLU 2.20 -0.39 1 31 SER 0.81 -0.28 1 32 ASP -2.35 1.29 1 33 ILE 0.79 -0.46 1 34 HIS 0.09 1.51 1 35 HIS -2.99 1.80 1 36 LEU -5.19 4.37 1 37 LYS -4.29 1.82 1 39 THR -3.93 2.22 1 40 PHE -4.02 1.98 1 41 LEU -2.17 0.04 1 46 THR -1.43 0.80 1 48 TYR -1.43 -0.32 1 49 GLU 1.28 0.12 1 52 LYS -1.04 0.35 1 53 PHE -1.79 1.56 1 55 VAL -3.60 2.04 1 56 ASP -1.74 2.98 1 57 ILE -2.98 2.29 1 58 GLU -4.66 2.38 1 59 VAL -2.31 -0.41 1 61 MET 3.63 -0.98 1 62 GLU 1.00 -0.52 1 63 TYR -0.53 2.72 1 65 PHE 3.84 -1.30 1 66 LYS -6.26 2.39 1 69 LYS -4.68 3.40 1 72 PHE 5.26 -1.35 1 73 ASP 1.39 -0.21 1 74 THR 0.13 1.31 1 75 LYS 1.51 -0.69 1 76 VAL -3.41 2.44 1 77 TYR 2.16 -0.37 1 80 ASN 0.06 2.25 1 81 ILE -5.91 4.10 1 82 SER 0.67 -0.65 1 83 SER 3.46 -0.57 1 84 VAL 1.52 0.86 1 85 THR -1.53 1.45 1 87 ALA 0.32 0.34 1 88 ILE -4.48 3.92 1 90 LEU -3.47 2.79 1 91 ASP 6.12 -1.81 1 92 ILE 3.25 -0.06 1 93 LEU 0.17 -1.17 1 94 ARG -0.30 0.53 1 95 ASN 1.75 -0.02 1 96 ALA -0.95 -0.49 1 97 TRP 1.09 0.52 1 98 SER -3.21 1.12 1 100 VAL 1.29 -1.32 1 101 ILE 4.21 -3.11 1 102 THR -5.37 2.27 1 103 LEU 4.95 -1.29 1 104 LYS 4.94 -0.60 1 105 SER 3.93 -0.93 1 106 ALA 4.63 -1.63 1 107 LEU 4.53 -1.19 1 108 ILE 5.63 -1.57 1 110 LEU 3.28 -1.01 1 111 GLN 3.93 0.01 1 112 ALA 3.41 -1.44 1 113 LEU 1.72 -0.17 1 114 LEU 6.00 -2.80 1 115 GLN 1.73 0.39 1 116 SER -1.86 -0.02 1 118 GLU -2.55 3.34 1 120 ASN 1.70 -0.85 1 121 ASP -2.66 0.00 1 123 GLN -0.14 0.23 1 124 ASP -2.87 1.67 1 125 ALA 3.76 -0.66 1 126 GLU 3.77 -0.67 1 127 VAL 5.10 -0.95 1 128 ALA 3.65 -0.52 1 129 GLN 4.09 -0.94 1 131 TYR 4.10 -0.21 1 132 LEU 0.66 0.75 1 133 ARG 2.03 0.17 1 134 ASP -0.93 -0.04 1 135 ARG 3.62 -1.87 1 136 GLU 3.54 -0.75 1 137 SER 3.41 -1.59 1 138 PHE 6.39 -1.30 1 139 ASN 4.07 -1.60 1 140 LYS 4.08 -0.66 1 141 THR 6.62 -1.10 1 142 ALA 4.73 -1.65 1 143 ALA 3.65 -1.21 1 144 LEU 4.54 -1.21 1 145 TRP 5.15 -1.19 1 147 ARG 3.93 -0.79 1 148 LEU 2.45 -0.53 1 149 TYR -1.79 1.19 1 150 ALA -2.84 1.21 1 151 SER 0.10 1.23 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4567_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.11 _LACS_plot.Line_1_terminator_val_y_1 0.81 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.30 _LACS_plot.Line_2_terminator_val_x_2 6.61 _LACS_plot.Line_2_terminator_val_y_2 -0.65 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 39 THR -3.93 1.58 0 10 LYS 4.09 -0.15 1 11 GLU 3.85 -0.19 1 12 ILE 4.51 -0.50 1 13 GLN 4.36 -0.47 1 14 ALA 2.85 -0.07 1 15 VAL 5.39 -0.35 1 16 LYS 3.50 -0.27 1 17 ASP 0.89 -0.02 1 18 ASP -1.71 0.28 1 20 ALA 1.64 -0.25 1 21 ALA 1.32 -0.11 1 22 HIS 3.33 -0.45 1 23 ILE -4.20 0.98 1 24 THR -3.50 0.38 1 25 LEU -4.84 0.72 1 26 GLU -7.11 0.26 1 27 PHE 0.83 -0.23 1 28 VAL 4.16 -0.36 1 29 SER -2.99 0.26 1 30 GLU 2.20 0.06 1 31 SER 0.81 -0.17 1 32 ASP -2.35 0.34 1 33 ILE 0.79 -0.02 1 34 HIS 0.09 -0.24 1 35 HIS -2.99 0.99 1 36 LEU -5.19 0.97 1 37 LYS -4.29 0.92 1 40 PHE -4.02 0.71 1 41 LEU -2.17 1.15 1 46 THR -1.43 0.55 1 48 TYR -1.43 0.73 1 49 GLU 1.28 -0.68 1 52 LYS -1.04 0.30 1 53 PHE -1.79 -0.20 1 55 VAL -3.60 0.08 1 56 ASP -1.74 0.16 1 57 ILE -2.98 0.76 1 58 GLU -4.66 0.87 1 59 VAL -2.31 -0.02 1 61 MET 3.63 -0.33 1 62 GLU 1.00 0.06 1 63 TYR -0.53 -0.30 1 65 PHE 3.84 -0.21 1 66 LYS -6.26 0.14 1 69 LYS -4.68 1.27 1 73 ASP 1.39 0.07 1 74 THR 0.13 -0.14 1 75 LYS 1.51 -0.01 1 76 VAL -3.41 0.41 1 77 TYR 2.16 -0.62 1 80 ASN 0.06 -0.05 1 81 ILE -5.91 0.74 1 82 SER 0.67 0.21 1 83 SER 3.46 0.04 1 84 VAL 1.52 0.06 1 85 THR -1.53 0.25 1 87 ALA 0.32 0.17 1 88 ILE -4.48 0.42 1 90 LEU -3.47 0.33 1 92 ILE 3.25 -0.38 1 93 LEU 0.17 0.29 1 94 ARG -0.30 0.22 1 95 ASN 1.75 0.10 1 96 ALA -0.95 0.39 1 97 TRP 1.09 -0.30 1 98 SER -3.21 -0.12 1 100 VAL 1.29 -0.18 1 101 ILE 4.21 -0.64 1 102 THR -5.37 0.55 1 105 SER 3.93 -0.36 1 106 ALA 4.63 -0.30 1 107 LEU 4.53 -0.53 1 108 ILE 5.63 -0.57 1 110 LEU 3.28 -0.37 1 111 GLN 3.93 -0.97 1 112 ALA 3.41 -0.14 1 113 LEU 1.72 -0.23 1 114 LEU 6.00 -0.71 1 115 GLN 1.73 -0.08 1 116 SER -1.86 0.15 1 118 GLU -2.55 -0.14 1 120 ASN 1.70 -0.13 1 121 ASP -2.66 0.34 1 124 ASP -2.87 0.25 1 125 ALA 3.76 -0.39 1 126 GLU 3.77 -0.23 1 127 VAL 5.10 -0.44 1 128 ALA 3.65 -0.59 1 129 GLN 4.09 -0.30 1 130 HIS -0.36 -0.21 1 131 TYR 4.10 -0.17 1 132 LEU 0.66 -0.38 1 133 ARG 2.03 -0.14 1 134 ASP -0.93 0.07 1 135 ARG 3.62 -0.60 1 136 GLU 3.54 -0.21 1 137 SER 3.41 -0.18 1 139 ASN 4.07 -0.58 1 140 LYS 4.08 -0.26 1 141 THR 6.62 -0.58 1 142 ALA 4.73 -0.38 1 143 ALA 3.65 0.27 1 144 LEU 4.54 -0.12 1 145 TRP 5.15 -0.35 1 147 ARG 3.93 -0.35 1 148 LEU 2.45 -0.52 1 149 TYR -1.79 0.51 1 150 ALA -2.84 0.55 1 151 SER 0.10 0.00 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4567_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.11 _LACS_plot.Line_1_terminator_val_y_1 -2.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.71 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.80 _LACS_plot.Line_2_terminator_val_x_2 6.61 _LACS_plot.Line_2_terminator_val_y_2 2.32 _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 26 GLU -7.11 -1.28 0 151 SER 0.10 4.33 0 66 LYS -6.26 -5.16 0 101 ILE 4.21 -3.17 0 10 LYS 4.09 3.08 1 11 GLU 3.85 2.98 1 12 ILE 4.51 2.49 1 13 GLN 4.36 0.27 1 14 ALA 2.85 3.34 1 15 VAL 5.39 2.05 1 16 LYS 3.50 1.72 1 17 ASP 0.89 -1.32 1 18 ASP -1.71 0.15 1 20 ALA 1.64 0.01 1 21 ALA 1.32 -0.28 1 22 HIS 3.33 2.16 1 23 ILE -4.20 -0.42 1 24 THR -3.50 -1.92 1 25 LEU -4.84 -3.50 1 27 PHE 0.83 1.25 1 28 VAL 4.16 -0.09 1 30 GLU 2.20 -0.39 1 31 SER 0.81 -1.04 1 32 ASP -2.35 -0.40 1 35 HIS -2.99 -0.17 1 36 LEU -5.19 -2.75 1 37 LYS -4.29 0.77 1 39 THR -3.93 -1.67 1 40 PHE -4.02 -3.15 1 41 LEU -2.17 1.62 1 46 THR -1.43 1.39 1 48 TYR -1.43 -0.30 1 49 GLU 1.28 0.41 1 52 LYS -1.04 -3.00 1 53 PHE -1.79 -2.26 1 55 VAL -3.60 -2.34 1 56 ASP -1.74 -0.93 1 57 ILE -2.98 -2.11 1 58 GLU -4.66 -0.78 1 59 VAL -2.31 -2.37 1 61 MET 3.63 1.60 1 62 GLU 1.00 -0.09 1 63 TYR -0.53 -0.21 1 65 PHE 3.84 -0.43 1 72 PHE 5.26 1.08 1 73 ASP 1.39 1.31 1 74 THR 0.13 -1.27 1 75 LYS 1.51 -1.43 1 76 VAL -3.41 -3.88 1 80 ASN 0.06 -3.76 1 81 ILE -5.91 -1.53 1 83 SER 3.46 -0.71 1 84 VAL 1.52 1.62 1 85 THR -1.53 1.77 1 87 ALA 0.32 -1.53 1 92 ILE 3.25 -2.75 1 93 LEU 0.17 0.68 1 94 ARG -0.30 3.61 1 95 ASN 1.75 0.27 1 96 ALA -0.95 -2.13 1 97 TRP 1.09 -0.07 1 98 SER -3.21 -1.66 1 100 VAL 1.29 0.17 1 103 LEU 4.95 1.65 1 104 LYS 4.94 0.76 1 105 SER 3.93 2.99 1 106 ALA 4.63 1.15 1 107 LEU 4.53 1.20 1 108 ILE 5.63 3.01 1 110 LEU 3.28 0.01 1 111 GLN 3.93 1.85 1 112 ALA 3.41 2.37 1 113 LEU 1.72 2.49 1 114 LEU 6.00 -0.48 1 115 GLN 1.73 -0.20 1 118 GLU -2.55 1.37 1 120 ASN 1.70 -0.60 1 121 ASP -2.66 -4.55 1 124 ASP -2.87 -0.46 1 125 ALA 3.76 -1.99 1 126 GLU 3.77 3.17 1 127 VAL 5.10 0.97 1 128 ALA 3.65 0.60 1 129 GLN 4.09 2.17 1 130 HIS -0.36 2.07 1 131 TYR 4.10 0.65 1 132 LEU 0.66 1.42 1 133 ARG 2.03 0.97 1 134 ASP -0.93 -2.28 1 135 ARG 3.62 1.59 1 136 GLU 3.54 2.74 1 137 SER 3.41 3.72 1 138 PHE 6.39 0.25 1 139 ASN 4.07 2.99 1 140 LYS 4.08 3.29 1 141 THR 6.62 0.06 1 142 ALA 4.73 3.03 1 143 ALA 3.65 2.30 1 144 LEU 4.54 1.28 1 145 TRP 5.15 4.72 1 147 ARG 3.93 2.40 1 148 LEU 2.45 2.40 1 149 TYR -1.79 0.30 1 150 ALA -2.84 -1.56 1 stop_ save_