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 bmr4664_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.66 _LACS_plot.Line_1_terminator_val_y_1 -1.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.53 _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 6.78 _LACS_plot.Line_2_terminator_val_y_2 5.55 _LACS_plot.Y_axis_chem_shift_offset -0.98 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 144 ALA 1.43 -1.34 0 10 ALA -0.08 1.35 1 12 LYS 0.35 2.03 1 13 TRP -5.38 0.19 1 14 TYR -1.66 1.03 1 15 VAL 1.10 0.68 1 16 VAL -0.47 0.11 1 17 ALA -4.45 0.62 1 18 LEU -8.66 -1.03 1 19 ALA -3.84 0.27 1 20 SER -1.48 -1.01 1 21 ASN -2.16 -0.73 1 22 THR -0.43 1.33 1 23 GLU 4.29 4.70 1 26 LEU 4.07 3.58 1 27 ARG 1.97 3.10 1 28 GLU -0.88 0.15 1 29 LYS 5.38 3.73 1 30 ASP 3.42 2.91 1 31 LYS -0.31 0.74 1 32 MET 1.87 2.52 1 33 LYS -6.48 -0.29 1 34 MET 1.28 4.12 1 35 ALA -6.61 -1.89 1 36 MET -5.84 0.74 1 37 ALA -6.59 -1.42 1 38 ARG -4.17 -0.71 1 39 ILE -3.46 -0.99 1 40 SER -2.85 -0.35 1 41 PHE 0.85 2.22 1 42 LEU -1.11 0.35 1 44 GLU 1.99 2.95 1 45 ASP -1.00 0.71 1 46 GLU -5.08 -0.15 1 48 LYS -2.56 -0.03 1 49 VAL -3.11 -0.62 1 50 SER -2.32 -1.13 1 51 TYR -3.41 0.21 1 52 ALA -2.29 0.48 1 53 VAL -4.62 -0.51 1 57 ASN 0.50 0.81 1 61 LYS -3.21 -0.06 1 62 TRP -1.71 0.38 1 63 GLU -6.54 -1.43 1 64 THR -2.07 1.25 1 65 THR -0.22 0.89 1 66 PHE -4.80 -0.68 1 67 LYS 0.23 2.36 1 68 LYS -0.78 0.04 1 69 THR 0.37 0.91 1 70 SER -0.10 1.89 1 71 ASP 0.92 1.93 1 72 ASP -2.02 -0.94 1 74 GLU -1.12 0.22 1 75 VAL -4.65 -0.18 1 76 TYR -5.80 0.11 1 77 TYR -3.26 -2.65 1 78 SER 2.33 3.01 1 79 GLU 3.01 3.56 1 80 GLU -1.77 -0.12 1 81 ALA 3.44 0.88 1 82 LYS -7.64 -0.70 1 83 LYS -6.27 -1.85 1 86 GLU 2.10 1.17 1 87 VAL 0.14 1.84 1 88 LEU -3.73 1.68 1 89 ASP 0.34 -0.31 1 90 THR -1.20 -0.40 1 91 ASP 6.21 4.18 1 92 TYR -1.64 3.10 1 93 LYS -2.09 2.75 1 94 SER -3.33 0.62 1 95 TYR -4.26 0.87 1 96 ALA 0.67 1.25 1 97 VAL -5.93 -2.19 1 98 ILE -3.48 -0.11 1 99 TYR -6.84 -1.09 1 100 ALA -3.07 0.25 1 101 THR -5.94 -0.62 1 102 ARG -0.18 0.23 1 103 VAL -3.68 -0.23 1 104 LYS 2.82 2.25 1 105 ASP -3.05 -0.60 1 107 ARG 2.45 2.38 1 108 THR -5.11 0.28 1 110 HIS -3.83 0.85 1 111 MET -4.33 -0.08 1 112 MET -7.70 -0.33 1 113 ARG -2.34 -0.85 1 114 LEU -5.61 -1.75 1 116 SER 0.53 2.08 1 117 ARG -4.08 -1.61 1 118 SER -0.53 -0.72 1 120 GLU -1.81 -0.49 1 121 VAL -0.27 0.83 1 122 SER 3.37 3.42 1 124 ALA 2.83 3.09 1 125 ALA 6.78 5.86 1 126 THR 4.17 3.83 1 127 ALA 3.86 4.57 1 128 ILE 4.13 5.65 1 129 PHE 5.19 5.04 1 130 ARG 3.89 4.21 1 131 LYS 3.43 3.48 1 132 LEU 5.71 3.54 1 133 ALA 2.17 2.78 1 135 GLU 1.20 -0.22 1 136 ARG 4.45 2.69 1 137 ASN 1.00 -0.23 1 138 TYR -1.79 -0.40 1 139 THR 4.05 4.84 1 140 ASP 2.26 2.48 1 141 GLU 0.82 1.55 1 142 MET -1.47 0.12 1 143 VAL -4.63 -1.01 1 145 MET 0.71 2.35 1 148 ARG -0.25 0.02 1 149 GLN -2.90 -0.38 1 150 GLU 0.48 2.87 1 151 GLU -4.62 -1.94 1 153 THR -0.59 -0.17 1 154 VAL 0.27 1.57 1 155 ASP -0.71 0.89 1 156 GLU 0.76 2.19 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4664_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.66 _LACS_plot.Line_1_terminator_val_y_1 7.00 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.47 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.70 _LACS_plot.Line_2_terminator_val_x_2 6.78 _LACS_plot.Line_2_terminator_val_y_2 -1.23 _LACS_plot.Y_axis_chem_shift_offset -0.98 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 144 ALA 1.43 -2.77 0 10 ALA -0.08 1.43 1 12 LYS 0.35 1.68 1 13 TRP -5.38 5.57 1 14 TYR -1.66 2.69 1 15 VAL 1.10 -0.42 1 16 VAL -0.47 0.58 1 17 ALA -4.45 5.07 1 18 LEU -8.66 7.63 1 19 ALA -3.84 4.11 1 20 SER -1.48 0.47 1 21 ASN -2.16 1.43 1 22 THR -0.43 1.76 1 23 GLU 4.29 0.41 1 26 LEU 4.07 -0.49 1 27 ARG 1.97 1.13 1 28 GLU -0.88 1.03 1 29 LYS 5.38 -1.65 1 30 ASP 3.42 -0.51 1 31 LYS -0.31 1.05 1 32 MET 1.87 0.65 1 33 LYS -6.48 6.19 1 34 MET 1.28 2.84 1 35 ALA -6.61 4.72 1 36 MET -5.84 6.58 1 37 ALA -6.59 5.17 1 38 ARG -4.17 3.46 1 39 ILE -3.46 2.47 1 40 SER -2.85 2.50 1 41 PHE 0.85 1.37 1 42 LEU -1.11 1.46 1 44 GLU 1.99 0.96 1 45 ASP -1.00 1.71 1 46 GLU -5.08 4.93 1 48 LYS -2.56 2.53 1 49 VAL -3.11 2.49 1 50 SER -2.32 1.19 1 51 TYR -3.41 3.62 1 52 ALA -2.29 2.77 1 53 VAL -4.62 4.11 1 57 ASN 0.50 0.31 1 61 LYS -3.21 3.15 1 62 TRP -1.71 2.09 1 63 GLU -6.54 5.11 1 64 THR -2.07 3.32 1 65 THR -0.22 1.11 1 66 PHE -4.80 4.12 1 67 LYS 0.23 2.13 1 68 LYS -0.78 0.82 1 69 THR 0.37 0.54 1 70 SER -0.10 1.99 1 71 ASP 0.92 1.01 1 72 ASP -2.02 1.08 1 74 GLU -1.12 1.34 1 75 VAL -4.65 4.47 1 76 TYR -5.80 5.91 1 77 TYR -3.26 0.61 1 78 SER 2.33 0.68 1 79 GLU 3.01 0.55 1 80 GLU -1.77 1.65 1 81 ALA 3.44 -2.56 1 82 LYS -7.64 6.94 1 83 LYS -6.27 4.42 1 86 GLU 2.10 -0.93 1 87 VAL 0.14 1.70 1 88 LEU -3.73 5.41 1 89 ASP 0.34 -0.65 1 90 THR -1.20 0.80 1 91 ASP 6.21 -2.03 1 92 TYR -1.64 4.74 1 93 LYS -2.09 4.84 1 94 SER -3.33 3.95 1 95 TYR -4.26 5.13 1 96 ALA 0.67 0.58 1 97 VAL -5.93 3.74 1 98 ILE -3.48 3.37 1 99 TYR -6.84 5.75 1 100 ALA -3.07 3.32 1 101 THR -5.94 5.32 1 102 ARG -0.18 0.41 1 103 VAL -3.68 3.45 1 104 LYS 2.82 -0.57 1 105 ASP -3.05 2.45 1 107 ARG 2.45 -0.07 1 108 THR -5.11 5.39 1 110 HIS -3.83 4.68 1 111 MET -4.33 4.25 1 112 MET -7.70 7.37 1 113 ARG -2.34 1.49 1 114 LEU -5.61 3.86 1 116 SER 0.53 1.55 1 117 ARG -4.08 2.47 1 118 SER -0.53 -0.19 1 120 GLU -1.81 1.32 1 121 VAL -0.27 1.10 1 122 SER 3.37 0.05 1 124 ALA 2.83 0.26 1 125 ALA 6.78 -0.92 1 126 THR 4.17 -0.34 1 127 ALA 3.86 0.71 1 128 ILE 4.13 1.52 1 129 PHE 5.19 -0.15 1 130 ARG 3.89 0.32 1 131 LYS 3.43 0.05 1 132 LEU 5.71 -2.17 1 133 ALA 2.17 0.61 1 135 GLU 1.20 -1.42 1 136 ARG 4.45 -1.76 1 137 ASN 1.00 -1.23 1 138 TYR -1.79 1.39 1 139 THR 4.05 0.79 1 140 ASP 2.26 0.22 1 141 GLU 0.82 0.73 1 142 MET -1.47 1.59 1 143 VAL -4.63 3.62 1 145 MET 0.71 1.64 1 148 ARG -0.25 0.27 1 149 GLN -2.90 2.52 1 150 GLU 0.48 2.39 1 151 GLU -4.62 2.68 1 153 THR -0.59 0.42 1 154 VAL 0.27 1.30 1 155 ASP -0.71 1.60 1 156 GLU 0.76 1.43 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4664_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.66 _LACS_plot.Line_1_terminator_val_y_1 1.14 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.29 _LACS_plot.Line_2_terminator_val_x_2 6.78 _LACS_plot.Line_2_terminator_val_y_2 -0.81 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 23 GLU 4.29 0.33 0 125 ALA 6.78 -0.27 0 94 SER -3.33 1.53 0 10 ALA -0.08 -0.24 1 12 LYS 0.35 0.44 1 13 TRP -5.38 -0.11 1 14 TYR -1.66 0.39 1 15 VAL 1.10 -0.17 1 16 VAL -0.47 0.43 1 17 ALA -4.45 0.87 1 18 LEU -8.66 1.06 1 19 ALA -3.84 1.03 1 20 SER -1.48 -0.70 1 21 ASN -2.16 0.40 1 22 THR -0.43 -0.02 1 27 ARG 1.97 -0.28 1 28 GLU -0.88 -0.06 1 30 ASP 3.42 -0.34 1 31 LYS -0.31 -0.03 1 32 MET 1.87 -0.05 1 33 LYS -6.48 0.24 1 34 MET 1.28 -0.17 1 35 ALA -6.61 0.87 1 36 MET -5.84 0.65 1 37 ALA -6.59 1.00 1 38 ARG -4.17 0.68 1 39 ILE -3.46 0.75 1 40 SER -2.85 0.08 1 41 PHE 0.85 0.00 1 42 LEU -1.11 0.19 1 44 GLU 1.99 -0.29 1 45 ASP -1.00 0.18 1 46 GLU -5.08 1.11 1 48 LYS -2.56 0.56 1 49 VAL -3.11 0.31 1 50 SER -2.32 0.29 1 51 TYR -3.41 0.22 1 52 ALA -2.29 0.49 1 53 VAL -4.62 0.20 1 57 ASN 0.50 -0.09 1 61 LYS -3.21 1.08 1 62 TRP -1.71 0.12 1 63 GLU -6.54 1.18 1 64 THR -2.07 0.11 1 65 THR -0.22 0.78 1 66 PHE -4.80 1.09 1 67 LYS -0.78 0.27 1 69 THR 0.37 -0.12 1 70 SER -0.10 -0.35 1 71 ASP 0.92 -0.27 1 72 ASP -2.02 0.25 1 74 GLU -1.12 0.79 1 75 VAL -4.65 0.60 1 76 TYR -5.80 1.24 1 77 TYR -3.26 0.27 1 78 SER 2.33 -0.48 1 79 GLU 3.01 -0.44 1 80 GLU -1.77 -0.04 1 81 ALA 3.44 -0.50 1 82 LYS -7.64 1.06 1 83 LYS 2.10 0.02 1 87 VAL -3.73 0.06 1 89 ASP 0.34 -0.60 1 90 THR -1.20 0.12 1 91 ASP -1.64 0.27 1 93 LYS -2.09 0.31 1 95 TYR -4.26 0.21 1 96 ALA 0.67 0.83 1 97 VAL -5.93 0.90 1 98 ILE -3.48 0.64 1 99 TYR -6.84 1.31 1 100 ALA -3.07 0.98 1 101 THR -5.94 0.83 1 102 ARG -0.18 0.56 1 103 VAL -3.68 0.01 1 104 LYS 2.82 0.02 1 105 ASP -3.05 0.24 1 107 ARG 2.45 0.05 1 108 THR -5.11 1.21 1 110 HIS -3.83 0.01 1 111 MET -4.33 1.10 1 112 MET -7.70 0.66 1 113 ARG -2.34 0.65 1 114 LEU -5.61 1.26 1 116 SER 0.53 -0.74 1 117 ARG -4.08 0.12 1 118 SER -0.53 -0.18 1 120 GLU -1.81 -0.05 1 121 VAL -0.27 -0.10 1 122 SER 3.37 -0.31 1 124 ALA 2.83 -0.95 1 126 THR 4.17 -0.31 1 127 ALA 3.86 -0.50 1 128 ILE 4.13 -0.68 1 129 PHE 5.19 -0.86 1 130 ARG 3.89 -0.37 1 131 LYS 3.43 -0.48 1 132 LEU 5.71 -0.43 1 133 ALA 2.17 -0.37 1 135 GLU 1.20 -0.29 1 136 ARG 4.45 -0.68 1 137 ASN 1.00 0.67 1 138 TYR -1.79 -0.01 1 139 THR 4.05 -0.46 1 140 ASP 2.26 -0.16 1 141 GLU 0.82 -0.06 1 142 MET -1.47 0.59 1 143 VAL -4.63 0.42 1 144 ALA 1.43 0.37 1 145 MET 0.71 -0.16 1 148 ARG -0.25 0.27 1 149 GLN -2.90 0.03 1 150 GLU 0.48 -0.18 1 151 GLU -4.62 0.45 1 153 THR -0.59 -0.08 1 154 VAL 0.27 -0.22 1 155 ASP -0.71 -0.24 1 156 GLU 0.76 -0.24 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4664_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.66 _LACS_plot.Line_1_terminator_val_y_1 -1.88 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.14 _LACS_plot.Line_2_terminator_val_x_2 6.78 _LACS_plot.Line_2_terminator_val_y_2 2.54 _LACS_plot.Y_axis_chem_shift_offset -0.49 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 LEU 5.71 -5.91 0 10 ALA -0.08 0.60 1 12 LYS 0.35 0.30 1 13 TRP -5.38 -1.80 1 14 TYR -1.66 0.50 1 15 VAL 1.10 0.20 1 16 VAL -0.47 0.60 1 17 ALA -4.45 2.10 1 18 LEU -8.66 -0.40 1 19 ALA -3.84 -2.30 1 20 SER -1.48 -2.80 1 21 ASN -2.16 2.40 1 22 THR -0.43 1.20 1 26 LEU 4.07 2.70 1 27 ARG 1.97 3.10 1 28 GLU -0.88 2.80 1 29 LYS 5.38 2.20 1 30 ASP 3.42 1.80 1 31 LYS -0.31 1.60 1 32 MET 1.87 1.00 1 33 LYS -6.48 -2.60 1 34 MET 1.28 -1.50 1 35 ALA -6.61 -0.60 1 36 MET -5.84 -2.80 1 37 ALA -6.59 -1.20 1 38 ARG -4.17 -0.10 1 39 ILE -3.46 -0.30 1 40 SER -2.85 -1.60 1 41 PHE 0.85 1.00 1 42 LEU -1.11 -0.30 1 44 GLU 1.99 1.70 1 45 ASP -1.00 -0.70 1 46 GLU -5.08 -0.56 1 48 LYS -2.56 -1.20 1 49 VAL -3.11 -1.60 1 50 SER -2.32 -0.80 1 51 TYR -3.41 2.00 1 52 ALA -2.29 -1.90 1 57 ASN 0.50 0.70 1 61 LYS -3.21 0.40 1 62 TRP -1.71 -3.30 1 63 GLU -6.54 0.10 1 64 THR -2.07 -1.90 1 65 THR -0.22 -0.10 1 66 PHE -4.80 1.00 1 67 LYS 0.23 1.80 1 68 LYS -0.78 1.00 1 69 THR 0.37 0.90 1 70 SER -0.10 0.30 1 71 ASP 0.92 0.50 1 72 ASP -2.02 -2.10 1 74 GLU -1.12 -1.20 1 75 VAL -4.65 -0.40 1 76 TYR -5.80 -0.40 1 77 TYR -3.26 0.50 1 78 SER 2.33 3.00 1 79 GLU 3.01 2.00 1 80 GLU -1.77 -0.70 1 81 ALA 3.44 -0.50 1 82 LYS -6.27 0.20 1 86 GLU 2.10 0.70 1 87 VAL 0.14 0.60 1 88 LEU -3.73 -1.30 1 89 ASP 0.34 5.16 1 90 THR -1.20 1.40 1 91 ASP 6.21 -1.00 1 92 TYR -1.64 0.00 1 93 LYS -2.09 0.90 1 94 SER -3.33 -1.30 1 95 TYR -4.26 -2.10 1 96 ALA 0.67 -1.30 1 97 VAL -5.93 -1.20 1 98 ILE -3.48 -1.10 1 99 TYR -6.84 -1.20 1 100 ALA -3.07 -0.10 1 101 THR -5.94 -1.30 1 102 ARG -0.18 0.40 1 103 VAL 2.82 0.50 1 105 ASP -3.05 -0.70 1 107 ARG 2.45 -0.30 1 108 THR -5.11 2.00 1 110 HIS -3.83 -1.40 1 111 MET -4.33 0.20 1 112 MET -7.70 -1.30 1 113 ARG -2.34 -2.27 1 114 LEU -5.61 1.80 1 116 SER 0.53 0.10 1 117 ARG -0.53 -1.10 1 120 GLU -1.81 -0.80 1 121 VAL 3.37 3.10 1 124 ALA 2.83 2.40 1 125 ALA 6.78 2.50 1 126 THR 4.17 -5.44 1 127 ALA 3.86 2.00 1 128 ILE 4.13 1.30 1 129 PHE 5.19 4.10 1 130 ARG 3.89 3.70 1 131 LYS 3.43 3.00 1 133 ALA 2.17 1.80 1 135 GLU 1.20 -1.80 1 136 ARG 4.45 0.00 1 137 ASN 1.00 0.90 1 138 TYR -1.79 1.80 1 139 THR 4.05 3.10 1 140 ASP 2.26 0.60 1 141 GLU 0.82 -2.40 1 142 MET -1.47 0.30 1 143 VAL -4.63 -1.00 1 144 ALA 1.43 1.60 1 145 MET 0.71 0.20 1 148 ARG -0.25 -0.70 1 149 GLN -2.90 0.10 1 150 GLU 0.48 0.40 1 151 GLU -4.62 -0.80 1 153 THR -0.59 0.30 1 154 VAL 0.27 0.60 1 155 ASP -0.71 -0.15 1 stop_ save_