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 bmr11422_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.39 _LACS_plot.Line_1_terminator_val_y_1 -3.33 _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 -1.47 _LACS_plot.Line_2_terminator_val_x_2 5.64 _LACS_plot.Line_2_terminator_val_y_2 4.09 _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 75 HIS -3.63 1.16 0 39 PHE -2.11 -3.38 0 10 GLU -2.57 -0.98 1 11 VAL -4.92 -1.71 1 12 VAL -6.67 -3.84 1 13 ALA -5.91 -2.15 1 14 ALA -7.14 -2.67 1 15 ILE 2.29 -0.45 1 16 ILE 0.66 0.06 1 17 GLU -8.25 -3.21 1 18 ARG -2.19 0.05 1 19 ASP 2.72 1.28 1 21 LYS -4.85 -1.93 1 22 ILE -5.86 -2.95 1 23 LEU -2.22 -1.52 1 24 LEU -5.41 -1.91 1 25 ALA -3.79 -2.53 1 26 GLN 1.78 0.00 1 27 ARG 4.46 2.06 1 29 ALA 1.25 1.16 1 30 GLN 1.12 0.04 1 31 SER -0.75 -0.13 1 32 ASP 1.17 0.73 1 33 GLN 1.97 0.43 1 34 ALA -0.15 0.47 1 36 LEU -0.41 -0.80 1 37 TRP -1.95 -1.00 1 38 GLU -8.39 -3.93 1 40 ALA -0.10 -0.30 1 43 LYS 0.70 0.96 1 44 VAL -0.47 -0.48 1 45 GLU 2.55 1.18 1 47 ASP 1.39 0.28 1 48 GLU -4.53 -1.71 1 49 SER -3.57 -2.10 1 50 GLN 5.64 4.59 1 51 ARG 4.77 4.05 1 52 GLN 3.45 2.78 1 53 ALA 1.16 2.56 1 54 LEU 3.05 2.61 1 55 VAL 5.64 4.73 1 56 ARG 5.63 3.84 1 57 GLU 3.73 2.39 1 58 LEU 5.36 2.98 1 59 ARG 4.49 3.82 1 60 GLU 2.39 2.55 1 61 GLU 0.73 0.83 1 62 LEU -3.51 -1.22 1 64 ILE -4.16 -1.74 1 65 GLU -2.26 -2.67 1 66 ALA -2.46 -0.01 1 67 THR 0.51 0.25 1 68 VAL 3.13 1.68 1 70 GLU -1.76 -0.29 1 71 TYR 1.45 0.68 1 72 VAL 1.27 1.60 1 73 ALA -3.66 -0.53 1 74 SER -3.45 -1.20 1 76 GLN -3.48 -1.68 1 77 ARG -4.20 -1.55 1 78 GLU -1.52 -1.02 1 79 VAL -2.25 -0.55 1 80 SER 1.69 0.15 1 82 ARG -3.70 -1.90 1 83 ILE -0.46 -0.95 1 84 ILE -1.36 -1.45 1 85 HIS -4.23 -1.76 1 86 LEU -3.73 -0.67 1 87 HIS -5.21 -0.15 1 88 ALA -4.87 -2.71 1 89 TRP -4.39 -1.61 1 90 HIS -4.76 -0.07 1 91 VAL -2.08 -0.89 1 93 ASP -3.86 -0.92 1 94 PHE -2.80 -1.06 1 95 HIS -3.73 -0.41 1 97 THR -0.43 -0.16 1 98 LEU 0.32 0.69 1 99 GLN -2.64 -0.75 1 100 ALA 0.22 -0.68 1 101 HIS 2.23 2.75 1 102 GLU -0.84 0.27 1 103 HIS 2.73 4.19 1 104 GLN -0.33 0.58 1 105 ALA -3.73 -0.66 1 106 LEU -4.35 -1.36 1 107 VAL -4.57 -1.29 1 108 TRP -3.77 -2.66 1 110 SER 2.32 1.42 1 112 GLU 5.32 4.02 1 113 GLU 1.11 1.73 1 114 ALA 2.85 2.49 1 115 LEU 1.37 1.25 1 116 GLN 0.28 -0.50 1 117 TYR 1.91 1.83 1 119 LEU -3.00 -1.38 1 120 ALA 1.25 -0.24 1 122 ALA 1.51 1.57 1 123 ASP 1.96 0.23 1 124 ILE 3.92 1.97 1 126 LEU 3.94 2.59 1 127 LEU 4.14 3.58 1 128 GLU 3.18 2.29 1 129 ALA 3.98 3.69 1 130 PHE 3.89 3.89 1 131 MET 3.58 2.23 1 132 ALA 2.67 2.30 1 133 LEU 2.01 0.80 1 134 ARG 1.04 0.50 1 135 ALA -0.16 -0.27 1 136 ALA 0.18 0.13 1 137 ARG -0.41 -0.21 1 139 ALA 0.48 1.56 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11422_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.39 _LACS_plot.Line_1_terminator_val_y_1 5.06 _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 0.53 _LACS_plot.Line_2_terminator_val_x_2 5.64 _LACS_plot.Line_2_terminator_val_y_2 -1.55 _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 75 HIS -3.63 4.79 0 39 PHE -2.11 -1.27 0 10 GLU -2.57 1.59 1 11 VAL -4.92 3.21 1 12 VAL -6.67 2.83 1 13 ALA -5.91 3.76 1 14 ALA -7.14 4.47 1 15 ILE 2.29 -2.74 1 16 ILE 0.66 -0.60 1 17 GLU -8.25 5.04 1 18 ARG -2.19 2.24 1 19 ASP 2.72 -1.44 1 21 LYS -4.85 2.92 1 22 ILE -5.86 2.91 1 23 LEU -2.22 0.70 1 24 LEU -5.41 3.50 1 25 ALA -3.79 1.26 1 26 GLN 1.78 -1.78 1 27 ARG 4.46 -2.40 1 29 ALA 1.25 -0.09 1 30 GLN 1.12 -1.08 1 31 SER -0.75 0.62 1 32 ASP 1.17 -0.44 1 33 GLN 1.97 -1.54 1 34 ALA -0.15 0.62 1 36 LEU -0.41 -0.39 1 37 TRP -1.95 0.95 1 38 GLU -8.39 4.46 1 40 ALA -0.10 -0.20 1 43 LYS 0.70 0.26 1 44 VAL -0.47 -0.01 1 45 GLU 2.55 -1.37 1 47 ASP 1.39 -1.11 1 48 GLU -4.53 2.82 1 49 SER -3.57 1.47 1 50 GLN 5.64 -1.05 1 51 ARG 4.77 -0.72 1 52 GLN 3.45 -0.67 1 53 ALA 1.16 1.40 1 54 LEU 3.05 -0.44 1 55 VAL 5.64 -0.91 1 56 ARG 5.63 -1.79 1 57 GLU 3.73 -1.34 1 58 LEU 5.36 -2.38 1 59 ARG 4.49 -0.67 1 60 GLU 2.39 0.16 1 61 GLU 0.73 0.10 1 62 LEU -3.51 2.29 1 64 ILE -4.16 2.42 1 65 GLU -2.26 -0.41 1 66 ALA -2.46 2.45 1 67 THR 0.51 -0.26 1 68 VAL 3.13 -1.45 1 70 GLU -1.76 1.47 1 71 TYR 1.45 -0.77 1 72 VAL 1.27 0.33 1 73 ALA -3.66 3.13 1 74 SER -3.45 2.25 1 76 GLN -3.48 1.80 1 77 ARG -4.20 2.65 1 78 GLU -1.52 0.50 1 79 VAL -2.25 1.70 1 80 SER 1.69 -1.54 1 82 ARG -3.70 1.80 1 83 ILE -0.46 -0.49 1 84 ILE -1.36 -0.09 1 85 HIS -4.23 2.47 1 86 LEU -3.73 3.06 1 87 HIS -5.21 5.06 1 88 ALA -4.87 2.16 1 89 TRP -4.39 2.78 1 90 HIS -4.76 4.69 1 91 VAL -2.08 1.19 1 93 ASP -3.86 2.94 1 94 PHE -2.80 1.74 1 95 HIS -3.73 3.32 1 97 THR -0.43 0.27 1 98 LEU 0.32 0.37 1 99 GLN -2.64 1.89 1 100 ALA 0.22 -0.90 1 101 HIS 2.23 0.52 1 102 GLU -0.84 1.11 1 103 HIS 2.73 1.46 1 104 GLN -0.33 0.91 1 105 ALA -3.73 3.07 1 106 LEU -4.35 2.99 1 107 VAL -4.57 3.28 1 108 TRP -3.77 1.11 1 110 SER 2.32 -0.90 1 112 GLU 5.32 -1.30 1 113 GLU 1.11 0.62 1 114 ALA 2.85 -0.36 1 115 LEU 1.37 -0.12 1 116 GLN 0.28 -0.78 1 117 TYR 1.91 -0.08 1 119 LEU -3.00 1.62 1 120 ALA 1.25 -1.49 1 122 ALA 1.51 0.06 1 123 ASP 1.96 -1.73 1 124 ILE 3.92 -1.95 1 126 LEU 3.94 -1.35 1 127 LEU 4.14 -0.56 1 128 GLU 3.18 -0.89 1 129 ALA 3.98 -0.29 1 130 PHE 3.89 0.00 1 131 MET 3.58 -1.35 1 132 ALA 2.67 -0.37 1 133 LEU 2.01 -1.21 1 134 ARG 1.04 -0.54 1 135 ALA -0.16 -0.11 1 136 ALA 0.18 -0.05 1 137 ARG -0.41 0.20 1 139 ALA 0.48 1.08 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11422_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.39 _LACS_plot.Line_1_terminator_val_y_1 0.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.33 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.11 _LACS_plot.Line_2_terminator_val_x_2 5.64 _LACS_plot.Line_2_terminator_val_y_2 -0.72 _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 22 ILE -5.86 1.90 0 10 GLU -2.57 0.81 1 11 VAL -4.92 0.54 1 12 VAL -6.67 1.57 1 13 ALA -5.91 0.50 1 14 ALA -7.14 0.69 1 15 ILE 2.29 -0.68 1 16 ILE 0.66 0.28 1 17 GLU -8.25 1.52 1 18 ARG -2.19 0.01 1 19 ASP 2.72 -0.46 1 21 LYS -4.85 0.37 1 23 LEU -2.22 -0.12 1 24 LEU -5.41 0.21 1 25 ALA -3.79 0.83 1 26 GLN 1.78 -0.69 1 27 ARG 4.46 -0.59 1 29 ALA 1.25 -0.39 1 30 GLN 1.12 -0.10 1 31 SER -0.75 -0.17 1 32 ASP 1.17 -0.22 1 33 GLN 1.97 -0.40 1 34 ALA -0.15 -0.62 1 36 LEU -0.41 0.33 1 37 TRP -1.95 0.09 1 38 GLU -8.39 0.64 1 39 PHE -2.11 0.49 1 40 ALA -0.10 -0.19 1 43 LYS 0.70 0.15 1 44 VAL -0.47 -0.29 1 45 GLU 2.55 -0.14 1 47 ASP 1.39 -0.25 1 48 GLU -4.53 0.19 1 49 SER -3.57 0.07 1 50 GLN 5.64 -0.74 1 51 ARG 4.77 -1.32 1 52 GLN 3.45 -0.61 1 53 ALA 1.16 -0.35 1 54 LEU 3.05 -0.67 1 55 VAL 5.64 -0.82 1 56 ARG 5.63 -0.43 1 57 GLU 3.73 -0.34 1 58 LEU 5.36 -0.48 1 59 ARG 4.49 -0.02 1 60 GLU 2.39 -0.50 1 61 GLU 0.73 0.22 1 62 LEU -3.51 0.85 1 64 ILE -4.16 0.55 1 65 GLU -2.26 0.16 1 66 ALA -2.46 -0.06 1 67 THR 0.51 -0.13 1 68 VAL 3.13 -0.27 1 70 GLU -1.76 0.06 1 71 TYR 1.45 -1.41 1 72 VAL 1.27 -0.43 1 73 ALA -3.66 -0.14 1 74 SER -3.45 1.29 1 75 HIS -3.63 0.03 1 76 GLN -3.48 0.91 1 77 ARG -4.20 0.08 1 78 GLU -1.52 0.53 1 79 VAL -2.25 0.04 1 80 SER 1.69 -0.56 1 82 ARG -3.70 0.35 1 83 ILE -0.46 0.17 1 84 ILE -1.36 0.41 1 85 HIS -4.23 0.23 1 86 LEU -3.73 0.55 1 87 HIS -5.21 0.34 1 88 ALA -4.87 1.32 1 89 TRP -4.39 -0.03 1 90 HIS -4.76 0.09 1 91 VAL -2.08 0.47 1 93 ASP -3.86 0.17 1 94 PHE -2.80 0.40 1 95 HIS -3.73 0.18 1 97 THR -0.43 -0.05 1 98 LEU 0.32 -0.23 1 99 GLN -2.64 -0.15 1 100 ALA 0.22 0.33 1 101 HIS 2.23 -0.15 1 102 GLU -0.84 -0.10 1 103 HIS 2.73 -0.56 1 104 GLN -0.33 -0.14 1 105 ALA -3.73 0.10 1 106 LEU -4.35 1.01 1 107 VAL -4.57 0.23 1 108 TRP -3.77 0.67 1 110 SER 2.32 0.09 1 112 GLU 5.32 -0.53 1 113 GLU 1.11 -0.39 1 114 ALA 2.85 -0.57 1 115 LEU 1.37 -0.37 1 116 GLN 0.28 -0.15 1 117 TYR 1.91 -0.71 1 119 LEU -3.00 0.44 1 120 ALA 1.25 -0.39 1 122 ALA 1.51 -0.59 1 123 ASP 1.96 -0.13 1 124 ILE 3.92 -0.52 1 126 LEU 3.94 -0.27 1 127 LEU 4.14 -0.52 1 128 GLU 3.18 -0.25 1 129 ALA 3.98 -0.74 1 130 PHE 3.89 -0.91 1 131 MET 3.58 -0.28 1 132 ALA 2.67 -0.38 1 133 LEU 2.01 -0.54 1 134 ARG 1.04 -0.25 1 135 ALA -0.16 -0.12 1 136 ALA 0.18 -0.15 1 137 ARG -0.41 -0.11 1 139 ALA 0.48 -0.40 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11422_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.39 _LACS_plot.Line_1_terminator_val_y_1 -3.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.44 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.10 _LACS_plot.Line_2_terminator_val_x_2 5.64 _LACS_plot.Line_2_terminator_val_y_2 1.91 _LACS_plot.Y_axis_chem_shift_offset 0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 17 GLU -8.25 -1.54 0 38 GLU -8.39 -1.18 0 10 GLU -2.57 -1.33 1 11 VAL -4.92 -1.62 1 12 VAL -6.67 -1.58 1 13 ALA -5.91 -3.14 1 14 ALA -7.14 -2.35 1 15 ILE 2.29 -2.23 1 16 ILE 0.66 -2.21 1 18 ARG -2.19 -0.55 1 19 ASP 2.72 -0.60 1 21 LYS -4.85 -2.17 1 22 ILE -5.86 -1.33 1 23 LEU -2.22 -0.64 1 24 LEU -5.41 -2.99 1 25 ALA -3.79 -1.90 1 26 GLN 1.78 0.15 1 27 ARG 4.46 -0.10 1 29 ALA 1.25 0.00 1 30 GLN 1.12 -0.46 1 31 SER -0.75 -0.36 1 32 ASP 1.17 0.23 1 33 GLN 1.97 -1.65 1 34 ALA -0.15 1.31 1 36 LEU -0.41 -1.66 1 37 TRP -1.95 -1.26 1 39 PHE -2.11 0.07 1 40 ALA -0.10 -3.15 1 43 LYS 0.70 -1.32 1 44 VAL -0.47 0.78 1 45 GLU 2.55 0.36 1 47 ASP 1.39 -1.39 1 48 GLU -4.53 -1.06 1 49 SER -3.57 0.79 1 50 GLN 5.64 1.74 1 51 ARG 4.77 1.72 1 52 GLN 3.45 3.13 1 53 ALA 1.16 0.95 1 54 LEU 3.05 0.55 1 55 VAL 5.64 2.67 1 56 ARG 5.63 2.26 1 57 GLU 3.73 2.72 1 58 LEU 5.36 1.94 1 59 ARG 4.49 3.50 1 60 GLU 2.39 1.78 1 61 GLU 0.73 1.08 1 62 LEU -3.51 -0.57 1 64 ILE -4.16 -1.93 1 65 GLU -2.26 -0.26 1 66 ALA -2.46 -1.65 1 67 THR 0.51 -2.21 1 68 VAL 3.13 0.02 1 70 GLU -1.76 -1.05 1 71 TYR 1.45 -0.87 1 72 VAL 1.27 -2.28 1 73 ALA -3.66 -3.82 1 74 SER -3.45 -1.36 1 75 HIS -3.63 -1.17 1 76 GLN -3.48 -2.29 1 77 ARG -4.20 -3.25 1 78 GLU -1.52 -0.62 1 79 VAL -2.25 -0.60 1 80 SER 1.69 0.50 1 82 ARG -3.70 -2.39 1 83 ILE -0.46 -1.76 1 84 ILE -1.36 -1.44 1 85 HIS -4.23 -2.27 1 86 LEU -3.73 -2.39 1 87 HIS -5.21 0.46 1 88 ALA -4.87 -2.52 1 89 TRP -4.39 -2.01 1 90 HIS -4.76 0.65 1 91 VAL -2.08 -1.09 1 93 ASP -3.86 -3.04 1 94 PHE -2.80 -3.41 1 95 HIS -3.73 0.21 1 97 THR -0.43 -1.55 1 98 LEU 0.32 -0.63 1 99 GLN -2.64 -2.94 1 100 ALA 0.22 -0.14 1 101 HIS 2.23 0.90 1 102 GLU -0.84 0.24 1 103 HIS 2.73 0.06 1 104 GLN -0.33 -1.29 1 105 ALA -3.73 -3.19 1 106 LEU -4.35 -1.19 1 107 VAL -4.57 -4.50 1 108 TRP -3.77 0.73 1 110 SER 2.32 0.35 1 112 GLU 5.32 3.07 1 113 GLU 1.11 2.82 1 114 ALA 2.85 0.25 1 115 LEU 1.37 0.44 1 116 GLN 0.28 1.05 1 117 TYR 1.91 -0.40 1 119 LEU -3.00 -0.19 1 120 ALA 1.25 1.24 1 122 ALA 1.51 -1.57 1 123 ASP 1.96 1.14 1 124 ILE 3.92 -0.01 1 126 LEU 3.94 1.33 1 127 LEU 4.14 3.19 1 128 GLU 3.18 2.29 1 129 ALA 3.98 0.91 1 130 PHE 3.89 2.43 1 131 MET 3.58 2.26 1 132 ALA 2.67 1.63 1 133 LEU 2.01 0.97 1 134 ARG 1.04 -0.20 1 135 ALA -0.16 -0.48 1 136 ALA 0.18 -0.54 1 137 ARG -0.41 -1.20 1 stop_ save_