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 bmr6603_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.76 _LACS_plot.Line_1_terminator_val_y_1 -2.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.50 _LACS_plot.Line_2_terminator_val_x_2 9.29 _LACS_plot.Line_2_terminator_val_y_2 7.16 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 VAL -3.85 2.37 0 10 LEU 0.59 -1.74 1 11 THR -2.62 -1.79 1 13 GLU 2.61 2.48 1 14 LYS -0.51 -0.84 1 15 ALA -3.10 -0.68 1 16 TRP -2.97 -0.68 1 17 LEU -3.27 -1.74 1 18 ASN 4.14 1.86 1 20 GLU -2.67 -1.51 1 21 VAL -5.39 -2.86 1 22 THR -4.91 -2.75 1 23 ARG 4.52 4.13 1 24 GLU 4.09 3.27 1 25 GLN 1.59 1.74 1 26 LEU 0.71 0.39 1 27 ILE -1.58 -0.43 1 29 GLU -2.26 1.28 1 30 LYS -2.88 -0.30 1 32 THR -2.63 0.46 1 33 LEU -4.20 -1.47 1 34 ILE -1.84 -0.96 1 35 HIS -5.95 -2.57 1 36 PHE -4.32 -1.41 1 37 TRP -4.40 -2.41 1 38 SER -4.46 -1.75 1 39 ILE 3.74 4.09 1 40 SER -0.37 -1.19 1 42 HIS 3.62 4.47 1 43 LEU 3.24 2.78 1 45 LYS 5.20 4.34 1 46 GLU 2.70 2.52 1 47 ALA -0.59 0.33 1 48 MET 9.29 4.44 1 50 GLN 3.43 3.11 1 51 VAL 6.44 4.45 1 52 ASN 3.78 2.08 1 53 GLU 3.34 2.97 1 54 PHE 3.95 2.57 1 55 ARG 3.25 2.68 1 56 ASP 4.03 2.88 1 57 LYS 3.34 2.88 1 58 TYR 0.09 -0.71 1 59 GLN 4.12 3.51 1 60 ASP 2.05 1.69 1 61 GLN -2.92 0.85 1 62 LEU -6.76 -1.38 1 63 ASN -1.18 0.13 1 64 VAL -1.67 0.06 1 65 VAL -4.06 -0.47 1 66 ALA -6.08 -2.90 1 67 VAL -2.21 -1.80 1 68 HIS 0.93 1.90 1 69 MET -6.54 -2.26 1 71 ARG -0.26 0.29 1 72 SER -2.60 -0.82 1 73 GLU 1.81 0.81 1 74 ASP 2.04 1.87 1 75 ASP -1.66 -0.42 1 76 LEU -0.41 0.32 1 77 ASP -1.28 0.16 1 80 LYS 2.93 2.34 1 81 ILE 5.59 4.48 1 82 LYS 4.53 3.93 1 83 GLU 2.92 2.87 1 84 THR 6.41 5.25 1 85 ALA 4.20 3.26 1 86 ALA 3.66 2.33 1 87 GLU 2.39 2.21 1 88 HIS -0.10 1.15 1 89 ASP 2.74 1.29 1 90 ILE 2.68 0.37 1 91 THR 0.96 0.20 1 92 GLN 2.73 0.06 1 94 ILE -5.40 -2.02 1 95 PHE -0.56 -1.41 1 97 ASP -0.55 -0.44 1 98 SER 4.24 3.50 1 99 ASP -0.07 -0.21 1 100 HIS 4.08 2.86 1 101 ALA 2.46 3.12 1 102 LEU 2.34 2.15 1 103 THR 8.00 6.84 1 104 ASP 4.57 3.02 1 105 ALA 3.53 2.73 1 106 PHE 0.70 1.11 1 107 GLU 2.47 0.22 1 108 ASN 0.07 1.99 1 109 GLU -1.59 0.62 1 110 TYR -4.31 -1.44 1 111 VAL -3.69 -1.39 1 113 ALA -6.16 -0.19 1 114 TYR -2.79 -0.29 1 115 TYR -2.90 -0.42 1 116 VAL -1.28 -0.87 1 117 PHE -3.88 -1.41 1 118 ASP -1.73 -1.16 1 119 LYS 3.34 2.34 1 120 THR 0.30 0.07 1 122 GLN -1.54 -0.34 1 123 LEU 3.24 1.72 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 -4.82 -1.24 1 131 SER 0.85 0.11 1 134 LYS 1.99 1.15 1 135 MET 3.69 2.51 1 136 LEU 4.94 3.31 1 137 GLU 3.78 3.41 1 138 LYS 4.33 3.54 1 139 ARG 3.21 1.35 1 140 VAL 6.57 4.98 1 141 ASN 4.40 3.59 1 142 ARG 4.53 3.18 1 143 VAL 4.57 3.38 1 144 LEU 2.78 2.32 1 145 ALA 0.48 0.47 1 146 GLU 0.98 0.62 1 147 THR -0.10 0.07 1 148 GLU 0.49 1.81 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6603_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.76 _LACS_plot.Line_1_terminator_val_y_1 4.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.98 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.50 _LACS_plot.Line_2_terminator_val_x_2 9.29 _LACS_plot.Line_2_terminator_val_y_2 -2.13 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 VAL -3.85 6.22 0 10 LEU 0.59 -2.33 1 11 THR -2.62 0.83 1 13 GLU 2.61 -0.13 1 14 LYS -0.51 -0.33 1 15 ALA -3.10 2.42 1 16 TRP -2.97 2.29 1 17 LEU -3.27 1.53 1 18 ASN 4.14 -2.28 1 20 GLU -2.67 1.16 1 21 VAL -5.39 2.53 1 22 THR -4.91 2.16 1 23 ARG 4.52 -0.39 1 24 GLU 4.09 -0.82 1 25 GLN 1.59 0.15 1 26 LEU 0.71 -0.32 1 27 ILE -1.58 1.15 1 29 GLU -2.26 3.54 1 30 LYS -2.88 2.58 1 32 THR -2.63 3.09 1 33 LEU -4.20 2.73 1 34 ILE -1.84 0.88 1 35 HIS -5.95 3.38 1 36 PHE -4.32 2.91 1 37 TRP -4.40 1.99 1 38 SER -4.46 2.71 1 39 ILE 3.74 0.35 1 40 SER -0.37 -0.82 1 42 HIS 3.62 0.85 1 43 LEU 3.24 -0.46 1 45 LYS 5.20 -0.86 1 46 GLU 2.70 -0.18 1 47 ALA -0.59 0.92 1 48 MET 9.29 -4.85 1 50 GLN 3.43 -0.32 1 51 VAL 6.44 -1.99 1 52 ASN 3.78 -1.70 1 53 GLU 3.34 -0.37 1 54 PHE 3.95 -1.38 1 55 ARG 3.25 -0.57 1 56 ASP 4.03 -1.15 1 57 LYS 3.34 -0.46 1 58 TYR 0.09 -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 -6.76 5.38 1 63 ASN -1.18 1.31 1 64 VAL -1.67 1.73 1 65 VAL -4.06 3.59 1 66 ALA -6.08 3.18 1 67 VAL -2.21 0.41 1 68 HIS 0.93 0.97 1 69 MET -6.54 4.28 1 71 ARG -0.26 0.55 1 72 SER -2.60 1.78 1 73 GLU 1.81 -1.00 1 74 ASP 2.04 -0.17 1 75 ASP -1.66 1.24 1 76 LEU -0.41 0.73 1 77 ASP -1.28 1.44 1 80 LYS 2.93 -0.59 1 81 ILE 5.59 -1.11 1 82 LYS 4.53 -0.60 1 83 GLU 2.92 -0.05 1 84 THR 6.41 -1.16 1 85 ALA 4.20 -0.94 1 86 ALA 3.66 -1.33 1 87 GLU 2.39 -0.18 1 88 HIS -0.10 1.25 1 89 ASP 2.74 -1.45 1 90 ILE 2.68 -2.31 1 91 THR 0.96 -0.76 1 92 GLN 2.73 -2.67 1 94 ILE -5.40 3.38 1 95 PHE -0.56 -0.85 1 97 ASP -0.55 0.11 1 98 SER 4.24 -0.74 1 99 ASP -0.07 -0.14 1 100 HIS 4.08 -1.22 1 101 ALA 2.46 0.66 1 102 LEU 2.34 -0.19 1 103 THR 8.00 -1.16 1 104 ASP 4.57 -1.55 1 105 ALA 3.53 -0.80 1 106 PHE 0.70 0.41 1 107 GLU 2.47 -2.25 1 108 ASN 0.07 1.92 1 109 GLU -1.59 2.21 1 110 TYR -4.31 2.87 1 111 VAL -3.69 2.30 1 113 ALA -6.16 5.97 1 114 TYR -2.79 2.50 1 115 TYR -2.90 2.48 1 116 VAL -1.28 0.41 1 117 PHE -3.88 2.47 1 118 ASP -1.73 0.57 1 119 LYS 3.34 -1.00 1 120 THR 0.30 -0.23 1 122 GLN -1.54 1.20 1 123 LEU 3.24 -1.52 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 -4.82 3.58 1 131 SER 0.85 -0.74 1 134 LYS 1.99 -0.84 1 135 MET 3.69 -1.18 1 136 LEU 4.94 -1.63 1 137 GLU 3.78 -0.37 1 138 LYS 4.33 -0.79 1 139 ARG 3.21 -1.86 1 140 VAL 6.57 -1.59 1 141 ASN 4.40 -0.81 1 142 ARG 4.53 -1.35 1 143 VAL 4.57 -1.19 1 144 LEU 2.78 -0.46 1 145 ALA 0.48 -0.01 1 146 GLU 0.98 -0.36 1 147 THR -0.10 0.17 1 148 GLU 0.49 1.32 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6603_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.76 _LACS_plot.Line_1_terminator_val_y_1 0.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.24 _LACS_plot.Line_2_terminator_val_x_2 9.29 _LACS_plot.Line_2_terminator_val_y_2 -0.90 _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 20 GLU -2.67 -1.58 0 10 LEU 0.59 0.19 1 11 THR -2.62 0.65 1 13 GLU 2.61 -0.24 1 14 LYS -0.51 0.10 1 15 ALA -3.10 0.10 1 16 TRP -2.97 0.81 1 17 LEU -3.27 0.50 1 18 ASN 4.14 -0.48 1 21 VAL -5.39 0.39 1 22 THR -4.91 0.43 1 23 ARG 4.52 -0.49 1 24 GLU 4.09 -0.45 1 25 GLN 1.59 -0.17 1 26 LEU 0.71 -0.17 1 27 ILE -1.58 0.15 1 29 GLU -2.26 0.22 1 30 LYS -2.88 0.31 1 32 THR -2.63 0.90 1 33 LEU -4.20 1.28 1 34 ILE -1.84 1.44 1 35 HIS -5.95 1.53 1 36 PHE -4.32 0.98 1 37 TRP -4.40 0.87 1 38 SER -4.46 -0.20 1 39 ILE 3.74 -0.04 1 40 SER -0.37 0.04 1 42 HIS 3.62 -0.35 1 43 LEU 3.24 -0.24 1 45 LYS 5.20 -0.74 1 46 GLU 2.70 -0.29 1 47 ALA -0.59 0.21 1 48 MET 9.29 -0.29 1 50 GLN 3.43 -0.28 1 51 VAL 6.44 -0.83 1 52 ASN 3.78 -0.56 1 53 GLU 3.34 -0.26 1 54 PHE 3.95 -0.29 1 55 ARG 3.25 -0.49 1 56 ASP 4.03 -0.14 1 57 LYS 3.34 -0.39 1 58 TYR 0.09 0.29 1 59 GLN 4.12 0.05 1 60 ASP 2.05 0.00 1 61 GLN -2.92 0.17 1 62 LEU -6.76 0.37 1 63 ASN -1.18 0.29 1 64 VAL -1.67 1.26 1 65 VAL -4.06 0.28 1 66 ALA -6.08 0.06 1 67 VAL -2.21 0.49 1 68 HIS 0.93 -0.85 1 69 MET -6.54 -0.05 1 71 ARG -0.26 0.09 1 72 SER -2.60 0.14 1 73 GLU 1.81 -0.44 1 74 ASP 2.04 -0.06 1 75 ASP -1.66 0.13 1 76 LEU -0.41 0.23 1 77 ASP -1.28 -0.17 1 80 LYS 2.93 -0.13 1 81 ILE 5.59 -0.74 1 82 LYS 4.53 -0.45 1 83 GLU 2.92 -0.19 1 84 THR 6.41 -0.10 1 85 ALA 4.20 -0.42 1 86 ALA 3.66 -0.08 1 87 GLU 2.39 -0.37 1 88 HIS -0.10 -0.23 1 89 ASP 2.74 -0.43 1 90 ILE 2.68 -0.32 1 91 THR 0.96 -0.23 1 92 GLN 2.73 0.00 1 94 ILE -5.40 0.97 1 95 PHE -0.56 -1.14 1 96 VAL -3.85 -0.16 1 97 ASP -0.55 0.75 1 98 SER 4.24 -0.39 1 99 ASP -0.07 -0.50 1 100 HIS 4.08 -0.41 1 101 ALA 2.46 -0.13 1 102 LEU 2.34 -0.01 1 103 THR 8.00 -0.58 1 104 ASP 4.57 -0.15 1 105 ALA 3.53 -0.11 1 106 PHE 0.70 -0.65 1 107 GLU 2.47 -0.57 1 108 ASN 0.07 -0.51 1 109 GLU -1.59 -0.35 1 110 TYR -4.31 0.29 1 111 VAL -3.69 -0.06 1 113 ALA -6.16 0.49 1 114 TYR -2.79 0.66 1 115 TYR -2.90 0.50 1 116 VAL -1.28 0.93 1 117 PHE -3.88 0.68 1 118 ASP -1.73 0.00 1 119 LYS 3.34 -0.10 1 120 THR 0.30 0.22 1 122 GLN -1.54 0.27 1 123 LEU 3.24 -0.66 1 124 ARG -3.19 0.46 1 125 HIS -2.93 0.07 1 126 PHE -6.71 0.69 1 127 GLN -4.86 -0.54 1 128 ALA -4.82 0.55 1 131 SER 0.85 -0.12 1 135 MET 3.69 -0.37 1 136 LEU 4.94 -0.72 1 137 GLU 3.78 -0.86 1 138 LYS 4.33 -0.32 1 139 ARG 3.21 -0.45 1 140 VAL 6.57 -0.78 1 141 ASN 4.40 -0.46 1 142 ARG 4.53 -0.23 1 143 VAL 4.57 -0.23 1 144 LEU 2.78 -0.23 1 145 ALA 0.48 0.00 1 146 GLU 0.98 -0.06 1 147 THR -0.10 0.06 1 148 GLU 0.49 -0.16 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6603_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.76 _LACS_plot.Line_1_terminator_val_y_1 -2.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.89 _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 9.29 _LACS_plot.Line_2_terminator_val_y_2 3.21 _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 92 GLN 2.73 -3.04 0 38 SER -4.46 2.29 0 48 MET 9.29 0.85 0 77 ASP -1.28 4.13 0 10 LEU 0.59 -2.16 1 11 THR -2.62 -1.19 1 13 GLU 2.61 0.22 1 16 TRP -2.97 1.25 1 17 LEU -3.27 -0.25 1 18 ASN 4.14 -0.42 1 20 GLU -2.67 -1.17 1 22 THR -4.91 0.30 1 23 ARG 4.52 1.36 1 24 GLU 4.09 1.91 1 25 GLN 1.59 1.52 1 26 LEU 0.71 1.13 1 27 ILE -1.58 0.10 1 29 GLU -2.26 -1.19 1 30 LYS -2.88 -1.94 1 32 THR -2.63 -1.86 1 33 LEU -4.20 -3.26 1 34 ILE -1.84 -0.97 1 35 HIS -5.95 -1.19 1 36 PHE -4.32 -0.31 1 37 TRP -4.40 -3.28 1 39 ILE 3.74 4.21 1 40 SER -0.37 -0.23 1 42 HIS 3.62 3.50 1 43 LEU 3.24 3.81 1 45 LYS 5.20 1.97 1 46 GLU 2.70 1.51 1 47 ALA -0.59 -0.98 1 50 GLN 3.43 2.58 1 51 VAL 6.44 1.64 1 52 ASN 3.78 2.32 1 55 ARG 3.25 1.72 1 56 ASP 4.03 2.75 1 57 LYS 3.34 1.65 1 58 TYR 0.09 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 -6.76 -1.70 1 63 ASN -1.18 -0.46 1 64 VAL -1.67 -1.55 1 65 VAL -4.06 -3.40 1 66 ALA -6.08 -1.23 1 67 VAL -2.21 -1.02 1 68 HIS 0.93 -1.23 1 69 MET -6.54 -2.62 1 71 ARG -0.26 -0.46 1 72 SER -2.60 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 5.59 0.78 1 82 LYS 4.53 2.88 1 83 GLU 2.92 2.90 1 84 THR 6.41 1.77 1 85 ALA 4.20 1.36 1 86 ALA 3.66 3.71 1 87 GLU 2.39 1.06 1 88 HIS -0.10 -0.68 1 89 ASP 2.74 -2.58 1 90 ILE 2.68 -0.80 1 91 THR 0.96 0.77 1 94 ILE -5.40 -1.85 1 95 PHE -0.56 -0.11 1 96 VAL -3.85 -1.87 1 97 ASP -0.55 2.36 1 98 SER 4.24 -1.77 1 99 ASP -0.07 -0.15 1 100 HIS 4.08 -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 4.57 3.46 1 105 ALA 3.53 2.35 1 106 PHE 0.70 -0.77 1 107 GLU 2.47 -1.01 1 108 ASN 0.07 -0.97 1 109 GLU -1.59 -1.15 1 110 TYR -4.31 -1.18 1 111 VAL -3.69 -1.27 1 113 ALA -6.16 -2.31 1 114 TYR -2.79 -2.93 1 115 TYR -2.90 -1.53 1 116 VAL -1.28 -1.86 1 117 PHE -3.88 0.53 1 118 ASP -1.73 2.17 1 119 LYS 3.34 -0.52 1 120 THR 0.30 1.21 1 122 GLN -1.54 1.66 1 123 LEU 3.24 -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 -4.82 -0.53 1 136 LEU 4.94 0.58 1 137 GLU 3.78 1.37 1 138 LYS 4.33 3.44 1 139 ARG 3.21 3.11 1 140 VAL 6.57 0.90 1 141 ASN 4.40 2.95 1 142 ARG 4.53 2.38 1 143 VAL 4.57 2.69 1 144 LEU 2.78 0.79 1 145 ALA 0.48 0.35 1 146 GLU 0.98 0.25 1 147 THR -0.10 -0.82 1 148 GLU 0.49 -1.30 1 stop_ save_