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 bmr6847_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.96 _LACS_plot.Line_1_terminator_val_y_1 -2.53 _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 -1.71 _LACS_plot.Line_2_terminator_val_x_2 8.60 _LACS_plot.Line_2_terminator_val_y_2 6.74 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 VAL -4.19 2.03 0 10 LEU 0.55 -1.87 1 11 THR -2.72 -1.79 1 13 GLU -0.16 -0.29 1 14 LYS -0.22 -0.84 1 15 ALA -3.19 -0.77 1 16 TRP -2.90 -0.77 1 17 LEU -3.32 -1.74 1 18 ASN 4.05 1.88 1 20 GLU -2.70 -1.62 1 21 VAL -5.39 -2.86 1 22 THR -4.93 -2.75 1 23 ARG 4.52 4.13 1 24 GLU 3.80 3.13 1 25 GLN 1.45 1.53 1 26 LEU 0.56 0.39 1 27 ILE -1.55 -0.37 1 29 GLU -2.30 1.28 1 30 LYS -2.93 -0.30 1 32 THR -2.66 0.43 1 33 LEU -4.45 -1.62 1 34 ILE -1.89 -0.96 1 35 HIS -5.95 -2.57 1 36 PHE -4.13 -1.22 1 37 TRP -3.90 -2.27 1 38 SER -4.00 -1.57 1 39 ILE 4.95 4.88 1 40 SER 0.38 -1.19 1 42 HIS 4.25 5.98 1 43 LEU 3.05 2.38 1 45 LYS 4.89 4.03 1 46 GLU 2.52 2.60 1 47 ALA -1.15 -0.27 1 48 MET 8.60 3.93 1 50 GLN 3.45 3.28 1 51 VAL 6.37 4.45 1 52 ASN 4.03 2.13 1 53 GLU 3.30 2.63 1 54 PHE 3.90 2.03 1 55 ARG 3.07 2.50 1 56 ASP 3.68 2.53 1 57 LYS 3.34 2.88 1 58 TYR -0.87 -1.67 1 59 GLN 4.12 3.51 1 60 ASP 2.05 1.69 1 61 GLN -2.92 0.85 1 62 LEU -6.96 -1.38 1 63 ASN -1.41 -0.10 1 64 VAL -1.67 0.06 1 65 VAL -4.05 -0.47 1 66 ALA -6.08 -2.90 1 67 VAL -1.88 -1.47 1 68 HIS 1.15 1.90 1 69 MET -6.09 -2.26 1 71 ARG -0.26 0.29 1 72 SER -2.75 -0.82 1 73 GLU 1.81 0.81 1 74 ASP 2.24 1.87 1 75 ASP -1.66 -0.42 1 76 LEU -0.41 0.32 1 77 ASP -1.17 0.16 1 80 LYS 2.93 2.34 1 81 ILE 5.70 4.88 1 82 LYS 4.53 3.93 1 83 GLU 2.92 2.87 1 84 THR 6.52 5.20 1 85 ALA 4.36 3.26 1 86 ALA 3.81 2.48 1 87 GLU 2.39 2.21 1 88 HIS 0.75 1.48 1 89 ASP 2.66 1.29 1 90 ILE 2.70 0.13 1 91 THR 0.96 0.20 1 92 GLN 2.66 0.06 1 94 ILE -5.40 -2.02 1 95 PHE -0.54 -1.41 1 97 ASP -0.58 -0.47 1 98 SER 4.24 3.50 1 99 ASP 0.40 0.28 1 100 HIS 4.13 2.86 1 101 ALA 2.46 3.12 1 102 LEU 2.34 2.15 1 103 THR 8.00 7.18 1 104 ASP 4.39 3.02 1 105 ALA 3.83 2.73 1 106 PHE 0.87 1.28 1 107 GLU 2.47 0.22 1 108 ASN 0.16 1.99 1 109 GLU -1.70 0.40 1 110 TYR -4.62 -1.44 1 111 VAL -4.18 -1.80 1 113 ALA -6.29 -0.19 1 114 TYR -2.62 -0.42 1 115 TYR -2.90 -0.42 1 116 VAL -1.78 -1.20 1 117 PHE -3.88 -1.41 1 118 ASP -1.54 -1.16 1 119 LYS 3.21 2.34 1 120 THR 0.16 -0.07 1 122 GLN -1.55 -0.47 1 123 LEU 3.05 1.63 1 124 ARG -3.19 -2.66 1 125 HIS -2.93 2.31 1 126 PHE -6.71 -3.01 1 127 GLN -4.86 -1.21 1 128 ALA -4.62 -1.24 1 131 SER 0.93 0.11 1 134 LYS 1.99 1.15 1 135 MET 3.76 2.58 1 136 LEU 5.15 3.23 1 137 GLU 3.83 3.41 1 138 LYS 4.33 3.54 1 139 ARG 3.21 1.35 1 140 VAL 6.65 4.98 1 141 ASN 4.40 3.59 1 142 ARG 4.10 3.18 1 143 VAL 4.80 3.38 1 144 LEU 2.99 2.32 1 145 ALA 0.48 0.47 1 146 GLU 0.99 0.63 1 147 THR 0.01 0.18 1 148 GLU 0.53 1.63 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6847_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.96 _LACS_plot.Line_1_terminator_val_y_1 4.43 _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 0.29 _LACS_plot.Line_2_terminator_val_x_2 8.60 _LACS_plot.Line_2_terminator_val_y_2 -1.86 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 VAL -4.19 6.22 0 10 LEU 0.55 -2.42 1 11 THR -2.72 0.93 1 13 GLU -0.16 -0.13 1 14 LYS -0.22 -0.62 1 15 ALA -3.19 2.42 1 16 TRP -2.90 2.13 1 17 LEU -3.32 1.58 1 18 ASN 4.05 -2.17 1 20 GLU -2.70 1.08 1 21 VAL -5.39 2.53 1 22 THR -4.93 2.18 1 23 ARG 4.52 -0.39 1 24 GLU 3.80 -0.67 1 25 GLN 1.45 0.08 1 26 LEU 0.56 -0.17 1 27 ILE -1.55 1.18 1 29 GLU -2.30 3.58 1 30 LYS -2.93 2.63 1 32 THR -2.66 3.09 1 33 LEU -4.45 2.83 1 34 ILE -1.89 0.93 1 35 HIS -5.95 3.38 1 36 PHE -4.13 2.91 1 37 TRP -3.90 1.63 1 38 SER -4.00 2.43 1 39 ILE 4.95 -0.07 1 40 SER 0.38 -1.57 1 42 HIS 4.25 1.73 1 43 LEU 3.05 -0.67 1 45 LYS 4.89 -0.86 1 46 GLU 2.52 0.08 1 47 ALA -1.15 0.88 1 48 MET 8.60 -4.67 1 50 GLN 3.45 -0.17 1 51 VAL 6.37 -1.92 1 52 ASN 4.03 -1.90 1 53 GLU 3.30 -0.67 1 54 PHE 3.90 -1.87 1 55 ARG 3.07 -0.57 1 56 ASP 3.68 -1.15 1 57 LYS 3.34 -0.46 1 58 TYR -0.87 -0.80 1 59 GLN 4.12 -0.61 1 60 ASP 2.05 -0.36 1 61 GLN -2.92 3.77 1 62 LEU -6.96 5.58 1 63 ASN -1.41 1.31 1 64 VAL -1.67 1.73 1 65 VAL -4.05 3.58 1 66 ALA -6.08 3.18 1 67 VAL -1.88 0.41 1 68 HIS 1.15 0.75 1 69 MET -6.09 3.83 1 71 ARG -0.26 0.55 1 72 SER -2.75 1.93 1 73 GLU 1.81 -1.00 1 74 ASP 2.24 -0.37 1 75 ASP -1.66 1.24 1 76 LEU -0.41 0.73 1 77 ASP -1.17 1.33 1 80 LYS 2.93 -0.59 1 81 ILE 5.70 -0.82 1 82 LYS 4.53 -0.60 1 83 GLU 2.92 -0.05 1 84 THR 6.52 -1.32 1 85 ALA 4.36 -1.10 1 86 ALA 3.81 -1.33 1 87 GLU 2.39 -0.18 1 88 HIS 0.75 0.73 1 89 ASP 2.66 -1.37 1 90 ILE 2.70 -2.57 1 91 THR 0.96 -0.76 1 92 GLN 2.66 -2.60 1 94 ILE -5.40 3.38 1 95 PHE -0.54 -0.87 1 97 ASP -0.58 0.11 1 98 SER 4.24 -0.74 1 99 ASP 0.40 -0.12 1 100 HIS 4.13 -1.27 1 101 ALA 2.46 0.66 1 102 LEU 2.34 -0.19 1 103 THR 8.00 -0.82 1 104 ASP 4.39 -1.37 1 105 ALA 3.83 -1.10 1 106 PHE 0.87 0.41 1 107 GLU 2.47 -2.25 1 108 ASN 0.16 1.83 1 109 GLU -1.70 2.10 1 110 TYR -4.62 3.18 1 111 VAL -4.18 2.38 1 113 ALA -6.29 6.10 1 114 TYR -2.62 2.20 1 115 TYR -2.90 2.48 1 116 VAL -1.78 0.58 1 117 PHE -3.88 2.47 1 118 ASP -1.54 0.38 1 119 LYS 3.21 -0.87 1 120 THR 0.16 -0.23 1 122 GLN -1.55 1.08 1 123 LEU 3.05 -1.42 1 124 ARG -3.19 0.53 1 125 HIS -2.93 5.24 1 126 PHE -6.71 3.70 1 127 GLN -4.86 3.65 1 128 ALA -4.62 3.38 1 131 SER 0.93 -0.82 1 134 LYS 1.99 -0.84 1 135 MET 3.76 -1.18 1 136 LEU 5.15 -1.92 1 137 GLU 3.83 -0.42 1 138 LYS 4.33 -0.79 1 139 ARG 3.21 -1.86 1 140 VAL 6.65 -1.67 1 141 ASN 4.40 -0.81 1 142 ARG 4.10 -0.92 1 143 VAL 4.80 -1.42 1 144 LEU 2.99 -0.67 1 145 ALA 0.48 -0.01 1 146 GLU 0.99 -0.36 1 147 THR 0.01 0.17 1 148 GLU 0.53 1.10 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6847_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.96 _LACS_plot.Line_1_terminator_val_y_1 0.63 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.21 _LACS_plot.Line_2_terminator_val_x_2 8.60 _LACS_plot.Line_2_terminator_val_y_2 -0.83 _LACS_plot.Y_axis_chem_shift_offset -0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 20 GLU -2.70 -1.59 0 10 LEU 0.55 0.16 1 11 THR -2.72 0.64 1 13 GLU -0.16 -0.24 1 14 LYS -0.22 0.10 1 15 ALA -3.19 0.05 1 16 TRP -2.90 0.78 1 17 LEU -3.32 0.50 1 18 ASN 4.05 -0.49 1 21 VAL -5.39 0.36 1 22 THR -4.93 0.43 1 23 ARG 4.52 -0.49 1 24 GLU 3.80 -0.45 1 25 GLN 1.45 -0.18 1 26 LEU 0.56 -0.18 1 27 ILE -1.55 0.12 1 29 GLU -2.30 0.21 1 30 LYS -2.93 0.29 1 32 THR -2.66 0.90 1 33 LEU -4.45 1.28 1 34 ILE -1.89 1.47 1 35 HIS -5.95 1.52 1 36 PHE -4.13 0.92 1 37 TRP -3.90 0.40 1 38 SER -4.00 -0.38 1 39 ILE 4.95 -0.05 1 40 SER 0.38 0.14 1 42 HIS 4.25 -0.37 1 43 LEU 3.05 -0.29 1 45 LYS 4.89 -0.78 1 46 GLU 2.52 -0.36 1 47 ALA -1.15 0.24 1 48 MET 8.60 -0.33 1 50 GLN 3.45 -0.38 1 51 VAL 6.37 -0.92 1 52 ASN 4.03 -0.55 1 53 GLU 3.30 -0.26 1 54 PHE 3.90 -0.23 1 55 ARG 3.07 -0.44 1 56 ASP 3.68 -0.10 1 57 LYS 3.34 -0.39 1 58 TYR -0.87 0.44 1 59 GLN 4.12 0.05 1 60 ASP 2.05 0.00 1 61 GLN -2.92 0.18 1 62 LEU -6.96 0.37 1 63 ASN -1.41 0.30 1 64 VAL -1.67 1.26 1 65 VAL -4.05 0.28 1 66 ALA -6.08 0.05 1 67 VAL -1.88 0.45 1 68 HIS 1.15 -0.97 1 69 MET -6.09 -0.02 1 71 ARG -0.26 0.11 1 72 SER -2.75 0.14 1 73 GLU 1.81 -0.44 1 74 ASP 2.24 -0.10 1 75 ASP -1.66 0.13 1 76 LEU -0.41 -0.19 1 77 ASP -1.17 -0.17 1 80 LYS 2.93 -0.11 1 81 ILE 5.70 -0.79 1 82 LYS 4.53 -0.47 1 83 GLU 2.92 -0.21 1 84 THR 6.52 -0.05 1 85 ALA 4.36 -0.46 1 86 ALA 3.81 -0.11 1 87 GLU 2.39 -0.40 1 88 HIS 0.75 -0.30 1 89 ASP 2.66 -0.44 1 90 ILE 2.70 -0.29 1 91 THR 0.96 -0.25 1 92 GLN 2.66 -0.01 1 94 ILE -5.40 0.93 1 95 PHE -0.54 -1.16 1 96 VAL -4.19 -0.17 1 97 ASP -0.58 0.70 1 98 SER 4.24 -0.39 1 99 ASP 0.40 -0.46 1 100 HIS 4.13 -0.42 1 101 ALA 2.46 -0.13 1 102 LEU 2.34 -0.03 1 103 THR 8.00 -0.56 1 104 ASP 4.39 -0.16 1 105 ALA 3.83 -0.12 1 106 PHE 0.87 -0.63 1 107 GLU 2.47 -0.57 1 108 ASN 0.16 -0.51 1 109 GLU -1.70 -0.32 1 110 TYR -4.62 0.25 1 111 VAL -4.18 -0.04 1 113 ALA -6.29 0.49 1 114 TYR -2.62 0.73 1 115 TYR -2.90 0.50 1 116 VAL -1.78 0.91 1 117 PHE -3.88 0.67 1 118 ASP -1.54 -0.02 1 119 LYS 3.21 -0.14 1 120 THR 0.16 0.20 1 122 GLN -1.55 0.24 1 123 LEU 3.05 -0.67 1 124 ARG -3.19 0.43 1 125 HIS -2.93 0.07 1 126 PHE -6.71 0.66 1 127 GLN -4.86 -0.54 1 128 ALA -4.62 0.50 1 131 SER 0.93 -0.12 1 135 MET 3.76 -0.38 1 136 LEU 5.15 -0.72 1 137 GLU 3.83 -0.95 1 138 LYS 4.33 -0.34 1 139 ARG 3.21 -0.47 1 140 VAL 6.65 -0.82 1 141 ASN 4.40 -0.53 1 142 ARG 4.10 -0.25 1 143 VAL 4.80 -0.20 1 144 LEU 2.99 -0.28 1 145 ALA 0.48 -0.02 1 146 GLU 0.99 -0.06 1 147 THR 0.01 0.04 1 148 GLU 0.53 -0.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6847_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.96 _LACS_plot.Line_1_terminator_val_y_1 -2.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.62 _LACS_plot.Line_2_terminator_val_x_2 8.60 _LACS_plot.Line_2_terminator_val_y_2 3.02 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 48 MET 8.60 0.85 0 92 GLN 2.66 -3.04 0 77 ASP -1.17 4.13 0 10 LEU 0.55 -2.16 1 11 THR -2.72 -1.19 1 13 GLU -0.16 0.22 1 16 TRP -2.90 1.25 1 17 LEU -3.32 -0.25 1 18 ASN 4.05 -0.42 1 20 GLU -2.70 -1.17 1 22 THR -4.93 0.30 1 23 ARG 4.52 1.36 1 24 GLU 3.80 1.91 1 25 GLN 1.45 1.52 1 26 LEU 0.56 1.13 1 27 ILE -1.55 0.10 1 29 GLU -2.30 -1.19 1 30 LYS -2.93 -1.94 1 32 THR -2.66 -1.86 1 33 LEU -4.45 -3.26 1 34 ILE -1.89 -0.97 1 35 HIS -5.95 -1.19 1 36 PHE -4.13 -0.31 1 37 TRP -3.90 -3.28 1 38 SER -4.00 2.29 1 39 ILE 4.95 4.21 1 40 SER 0.38 -0.23 1 42 HIS 4.25 3.50 1 43 LEU 3.05 3.81 1 45 LYS 4.89 1.97 1 46 GLU 2.52 1.51 1 47 ALA -1.15 -0.98 1 50 GLN 3.45 2.58 1 51 VAL 6.37 1.64 1 52 ASN 4.03 2.32 1 55 ARG 3.07 1.72 1 56 ASP 3.68 2.75 1 57 LYS 3.34 1.65 1 58 TYR -0.87 0.88 1 59 GLN 4.12 0.57 1 60 ASP 2.05 0.20 1 61 GLN -2.92 -2.29 1 62 LEU -6.96 -1.70 1 63 ASN -1.41 -0.46 1 64 VAL -1.67 -1.55 1 65 VAL -4.05 -3.40 1 66 ALA -6.08 -1.23 1 67 VAL -1.88 -1.02 1 68 HIS 1.15 -1.23 1 69 MET -6.09 -2.62 1 71 ARG -0.26 -0.46 1 72 SER -2.75 0.40 1 75 ASP -1.66 -1.02 1 76 LEU -0.41 -0.08 1 80 LYS 2.93 3.64 1 81 ILE 5.70 0.78 1 82 LYS 4.53 2.88 1 83 GLU 2.92 2.90 1 84 THR 6.52 1.77 1 85 ALA 4.36 1.36 1 86 ALA 3.81 3.71 1 87 GLU 2.39 1.06 1 88 HIS 0.75 -0.68 1 89 ASP 2.66 -2.58 1 90 ILE 2.70 -0.80 1 91 THR 0.96 0.77 1 94 ILE -5.40 -1.85 1 95 PHE -0.54 -0.11 1 96 VAL -4.19 -1.87 1 97 ASP -0.58 2.36 1 98 SER 4.24 -1.77 1 99 ASP 0.40 -0.15 1 100 HIS 4.13 -0.64 1 101 ALA 2.46 2.95 1 102 LEU 2.34 2.73 1 103 THR 8.00 1.91 1 104 ASP 4.39 3.46 1 105 ALA 3.83 2.35 1 106 PHE 0.87 -0.77 1 107 GLU 2.47 -1.01 1 108 ASN 0.16 -0.97 1 109 GLU -1.70 -1.15 1 110 TYR -4.62 -1.18 1 111 VAL -4.18 -1.27 1 113 ALA -6.29 -2.31 1 114 TYR -2.62 -2.93 1 115 TYR -2.90 -1.53 1 116 VAL -1.78 -1.86 1 117 PHE -3.88 0.53 1 118 ASP -1.54 2.17 1 119 LYS 3.21 -0.52 1 120 THR 0.16 1.21 1 122 GLN -1.55 1.66 1 123 LEU 3.05 -0.33 1 124 ARG -3.19 0.20 1 125 HIS -2.93 -3.06 1 126 PHE -6.71 -2.87 1 127 GLN -4.86 -4.65 1 128 ALA -4.62 -0.53 1 136 LEU 5.15 0.58 1 137 GLU 3.83 1.37 1 138 LYS 4.33 3.44 1 139 ARG 3.21 3.11 1 140 VAL 6.65 0.90 1 141 ASN 4.40 2.95 1 142 ARG 4.10 2.38 1 143 VAL 4.80 2.69 1 144 LEU 2.99 0.79 1 145 ALA 0.48 0.35 1 146 GLU 0.99 0.25 1 147 THR 0.01 -0.82 1 148 GLU 0.53 -1.30 1 stop_ save_