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 bmr7248_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.22 _LACS_plot.Line_1_terminator_val_y_1 -2.58 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.32 _LACS_plot.Line_2_terminator_val_x_2 5.72 _LACS_plot.Line_2_terminator_val_y_2 4.47 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 107 ARG -5.82 -1.32 0 108 ALA -7.22 -2.57 0 80 THR 5.34 5.61 0 10 ASN -0.30 0.04 1 11 ASP 0.00 0.44 1 12 ALA 1.98 1.72 1 13 ASP 1.53 1.45 1 14 MET 2.23 1.53 1 15 ALA 2.47 1.92 1 16 ARG 2.37 1.83 1 17 LEU 2.38 1.82 1 18 LEU 2.14 1.64 1 19 GLU 1.30 1.36 1 20 GLN 1.78 1.37 1 21 TRP 0.16 0.10 1 22 GLU 0.17 0.53 1 23 LYS 0.20 0.39 1 24 ASP 0.06 0.41 1 25 ASP 0.04 0.39 1 26 ASP 0.06 0.23 1 27 ILE -0.19 0.02 1 28 GLU -0.80 -0.23 1 29 GLU -0.08 0.53 1 31 ASP -0.40 -0.01 1 32 LEU -0.18 0.06 1 34 GLU 1.18 1.20 1 35 HIS -0.15 1.36 1 36 LYS -0.08 -0.09 1 37 ARG 0.15 0.23 1 39 SER -0.28 -0.06 1 40 ALA -0.52 0.00 1 42 ILE -0.38 -0.04 1 43 ASP -0.82 -0.83 1 44 PHE 2.08 1.40 1 45 SER 2.02 1.78 1 46 LYS 0.29 0.08 1 47 LEU -0.31 -0.21 1 48 ASP -0.99 -0.22 1 51 LYS -0.11 -0.11 1 53 GLU 2.30 1.67 1 54 SER 1.90 1.45 1 55 ILE 1.93 1.52 1 56 LEU 2.16 1.68 1 57 LYS 1.97 1.57 1 58 MET 0.71 1.00 1 59 THR 0.80 1.04 1 60 LYS -0.30 -0.24 1 61 LYS 0.20 -0.09 1 63 LYS -1.19 -0.73 1 64 THR 0.93 0.87 1 65 LEU -4.28 -0.44 1 66 MET -3.73 -0.80 1 67 MET -4.71 -0.97 1 68 PHE -1.84 -0.42 1 69 VAL -4.60 -1.59 1 70 THR -1.71 -0.86 1 71 VAL -0.98 -0.82 1 72 SER -1.58 0.11 1 74 ASN 2.78 2.11 1 76 THR -2.43 -1.14 1 77 GLU 3.96 3.88 1 78 LYS 3.42 2.81 1 79 GLU 2.74 2.72 1 81 GLU 4.52 3.80 1 82 GLU -2.18 -2.25 1 83 ILE 3.68 3.86 1 84 THR 3.45 3.38 1 85 SER 2.99 4.17 1 86 LEU -0.31 -0.05 1 87 TRP -1.77 -1.23 1 88 GLN 5.73 4.56 1 90 SER 4.34 3.82 1 91 LEU 3.70 2.70 1 92 PHE 3.76 2.88 1 93 ASN 3.02 2.44 1 94 ALA -0.43 -1.00 1 95 ASN 4.03 1.61 1 96 TYR -1.77 -1.19 1 97 ASP -0.59 -0.54 1 98 VAL -6.05 -3.23 1 99 GLN -4.22 -1.27 1 100 ARG -2.83 -1.38 1 101 PHE -2.51 -0.30 1 102 ILE 0.16 0.10 1 103 VAL -1.54 -1.41 1 105 SER 4.58 3.64 1 106 ASP -2.85 -1.74 1 109 ILE -3.77 -1.04 1 110 PHE -2.66 -1.48 1 111 MET -3.79 -1.08 1 112 LEU -1.44 -0.62 1 113 ARG 2.96 1.89 1 114 ASP -2.67 -1.66 1 116 SER 4.63 3.44 1 117 TYR 0.66 -0.19 1 118 ALA 2.86 3.82 1 119 TRP -0.18 -1.12 1 120 GLU 1.21 0.92 1 121 ILE 0.72 0.62 1 122 LYS 0.06 0.43 1 123 ASP -0.59 0.07 1 124 PHE 1.50 1.34 1 126 VAL 4.69 2.67 1 127 SER 0.25 0.41 1 128 GLN -1.04 -1.81 1 129 ASP 0.17 0.14 1 130 ARG -1.56 0.42 1 132 ALA 1.69 1.57 1 133 GLU -4.03 -1.02 1 134 VAL -4.34 -1.54 1 135 THR -0.12 0.12 1 136 LEU -4.00 -1.02 1 137 GLU -0.82 0.01 1 139 GLN -2.96 -1.54 1 140 MET -0.78 0.28 1 144 LYS 1.46 1.53 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7248_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.22 _LACS_plot.Line_1_terminator_val_y_1 4.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.68 _LACS_plot.Line_2_terminator_val_x_2 5.72 _LACS_plot.Line_2_terminator_val_y_2 -1.25 _LACS_plot.Y_axis_chem_shift_offset -0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 107 ARG -5.82 4.50 0 108 ALA -7.22 4.65 0 80 THR 5.34 0.27 0 10 ASN -0.30 0.34 1 11 ASP 0.00 0.44 1 12 ALA 1.98 -0.26 1 13 ASP 1.53 -0.08 1 14 MET 2.23 -0.70 1 15 ALA 2.47 -0.55 1 16 ARG 2.37 -0.54 1 17 LEU 2.38 -0.56 1 18 LEU 2.14 -0.50 1 19 GLU 1.30 0.06 1 20 GLN 1.78 -0.41 1 21 TRP 0.16 -0.06 1 22 GLU 0.17 0.36 1 23 LYS 0.20 0.19 1 24 ASP 0.06 0.35 1 25 ASP 0.04 0.35 1 26 ASP 0.06 0.17 1 27 ILE -0.19 0.21 1 28 GLU -0.80 0.57 1 29 GLU -0.08 0.61 1 31 ASP -0.40 0.39 1 32 LEU -0.18 0.24 1 34 GLU 1.18 0.02 1 35 HIS -0.15 1.51 1 36 LYS -0.08 -0.01 1 37 ARG 0.15 0.08 1 39 SER -0.28 0.22 1 40 ALA -0.52 0.52 1 42 ILE -0.38 0.34 1 43 ASP -0.82 -0.01 1 44 PHE 2.08 -0.68 1 45 SER 2.02 -0.24 1 46 LYS 0.29 -0.21 1 47 LEU -0.31 0.10 1 48 ASP -0.99 0.77 1 51 LYS -0.11 0.00 1 53 GLU 2.30 -0.63 1 54 SER 1.90 -0.45 1 55 ILE 1.93 -0.41 1 56 LEU 2.16 -0.48 1 57 LYS 1.97 -0.40 1 58 MET 0.71 0.29 1 59 THR 0.80 0.24 1 60 LYS -0.30 0.06 1 61 LYS 0.20 -0.29 1 63 LYS -1.19 0.46 1 64 THR 0.93 -0.06 1 65 LEU -4.28 3.84 1 66 MET -3.73 2.93 1 67 MET -4.71 3.74 1 68 PHE -1.84 1.42 1 69 VAL -4.60 3.01 1 70 THR -1.71 0.85 1 71 VAL -0.98 0.16 1 72 SER -1.58 1.69 1 74 ASN 2.78 -0.67 1 76 THR -2.43 1.29 1 77 GLU 3.96 -0.08 1 78 LYS 3.42 -0.61 1 79 GLU 2.74 -0.02 1 81 GLU 4.52 -0.72 1 82 GLU -2.18 -0.07 1 83 ILE 3.68 0.18 1 84 THR 3.45 -0.07 1 85 SER 2.99 1.18 1 86 LEU -0.31 0.26 1 87 TRP -1.77 0.54 1 88 GLN 5.73 -1.17 1 90 SER 4.34 -0.52 1 91 LEU 3.70 -1.00 1 92 PHE 3.76 -0.88 1 93 ASN 3.02 -0.58 1 94 ALA -0.43 -0.57 1 95 ASN 4.03 -2.42 1 96 TYR -1.77 0.58 1 97 ASP -0.59 0.05 1 98 VAL -6.05 2.82 1 99 GLN -4.22 2.95 1 100 ARG -2.83 1.45 1 101 PHE -2.51 2.21 1 102 ILE 0.16 -0.06 1 103 VAL -1.54 0.13 1 105 SER 4.58 -0.94 1 106 ASP -2.85 1.11 1 109 ILE -3.77 2.73 1 110 PHE -2.66 1.18 1 111 MET -3.79 2.71 1 112 LEU -1.44 0.82 1 113 ARG 2.96 -1.07 1 114 ASP -2.67 1.01 1 116 SER 4.63 -1.19 1 117 TYR 0.66 -0.85 1 118 ALA 2.86 0.96 1 119 TRP -0.18 -0.94 1 120 GLU 1.21 -0.29 1 121 ILE 0.72 -0.10 1 122 LYS 0.06 0.37 1 123 ASP -0.59 0.66 1 124 PHE 1.50 -0.16 1 126 VAL 4.69 -2.02 1 127 SER 0.25 0.16 1 128 GLN -1.04 -0.77 1 129 ASP 0.17 -0.03 1 130 ARG -1.56 1.98 1 132 ALA 1.69 -0.12 1 133 GLU -4.03 3.01 1 134 VAL -4.34 2.80 1 135 THR -0.12 0.24 1 136 LEU -4.00 2.98 1 137 GLU -0.82 0.83 1 139 GLN -2.96 1.42 1 140 MET -0.78 1.06 1 144 LYS 1.46 0.07 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7248_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.22 _LACS_plot.Line_1_terminator_val_y_1 0.45 _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 0.10 _LACS_plot.Line_2_terminator_val_x_2 5.72 _LACS_plot.Line_2_terminator_val_y_2 -0.45 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 101 PHE -2.51 -0.54 0 98 VAL -6.05 1.05 0 71 VAL -0.98 0.89 0 69 VAL -4.60 1.07 0 10 ASN -0.30 -0.11 1 11 ASP 0.00 -0.22 1 12 ALA 1.98 -0.13 1 13 ASP 1.53 -0.16 1 14 MET 2.23 -0.24 1 15 ALA 2.47 -0.27 1 16 ARG 2.37 -0.21 1 17 LEU 2.38 -0.26 1 18 LEU 2.14 -0.10 1 19 GLU 1.30 -0.23 1 20 GLN 1.78 -0.26 1 21 TRP 0.16 -0.20 1 22 GLU 0.17 -0.15 1 23 LYS 0.20 0.26 1 24 ASP 0.06 -0.01 1 25 ASP 0.04 -0.06 1 26 ASP 0.06 -0.01 1 27 ILE -0.19 -0.02 1 28 GLU -0.80 -0.06 1 29 GLU -0.08 -0.10 1 31 ASP -0.40 0.00 1 34 GLU 1.18 -0.30 1 35 HIS -0.15 -0.11 1 36 LYS -0.08 -0.05 1 39 SER -0.28 -0.07 1 42 ILE -0.38 -0.19 1 43 ASP -0.82 -0.03 1 44 PHE 2.08 -0.19 1 45 SER 2.02 -0.13 1 46 LYS 0.29 0.01 1 47 LEU -0.31 -0.05 1 53 GLU 2.30 -0.47 1 54 SER 1.90 -0.16 1 55 ILE 1.93 -0.22 1 56 LEU 2.16 -0.24 1 57 LYS 1.97 -0.25 1 58 MET 0.71 -0.04 1 59 THR 0.80 0.09 1 60 LYS -0.30 0.01 1 61 LYS 0.20 -0.42 1 63 LYS -1.19 0.22 1 64 THR 0.93 0.23 1 65 LEU -4.28 0.44 1 66 MET -3.73 0.12 1 67 MET -4.71 0.44 1 68 PHE -1.84 0.52 1 70 THR -1.71 0.54 1 72 SER -1.58 -0.26 1 76 THR -2.43 0.31 1 77 GLU 3.96 -0.19 1 78 LYS 3.42 -0.24 1 79 GLU 2.74 -0.26 1 80 THR 5.34 -0.04 1 81 GLU 4.52 -0.28 1 82 GLU -2.18 -0.44 1 83 ILE 3.68 -0.54 1 84 THR 3.45 -0.17 1 85 SER 2.99 -0.14 1 86 LEU -0.31 -0.07 1 87 TRP -1.77 0.21 1 88 GLN 5.73 -0.47 1 90 SER 4.34 -0.16 1 91 LEU 3.70 -0.45 1 92 PHE 3.76 -0.20 1 93 ASN 3.02 -0.31 1 94 ALA -0.43 -0.04 1 95 ASN 4.03 -0.65 1 96 TYR -1.77 -0.09 1 97 ASP -0.59 0.15 1 99 GLN -4.22 0.28 1 100 ARG -2.83 0.29 1 102 ILE 0.16 0.66 1 103 VAL -1.54 0.56 1 105 SER 4.58 0.10 1 106 ASP -2.85 0.09 1 107 ARG -5.82 0.36 1 108 ALA -7.22 0.39 1 109 ILE -3.77 0.62 1 110 PHE -2.66 0.61 1 111 MET -3.79 0.55 1 112 LEU -1.44 0.30 1 113 ARG 2.96 -0.22 1 114 ASP -2.67 0.06 1 116 SER 4.63 -0.26 1 117 TYR 0.66 -0.22 1 118 ALA 2.86 -0.28 1 119 TRP -0.18 -0.17 1 120 GLU 1.21 0.28 1 121 ILE 0.72 -0.13 1 122 LYS 0.06 -0.09 1 123 ASP -0.59 -0.06 1 126 VAL 4.69 -0.22 1 127 SER 0.25 -0.20 1 128 GLN -1.04 0.08 1 129 ASP 0.17 -0.51 1 130 ARG -1.56 0.00 1 132 ALA 1.69 -0.04 1 133 GLU -4.03 -0.09 1 134 VAL -4.34 0.85 1 135 THR -0.12 -0.23 1 136 LEU -4.00 0.28 1 137 GLU -0.82 -0.34 1 139 GLN -2.96 0.11 1 140 MET -0.78 0.01 1 144 LYS 1.46 -0.24 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7248_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.22 _LACS_plot.Line_1_terminator_val_y_1 -3.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.12 _LACS_plot.Line_2_terminator_val_x_2 5.72 _LACS_plot.Line_2_terminator_val_y_2 0.52 _LACS_plot.Y_axis_chem_shift_offset 1.42 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 82 GLU -2.18 1.55 0 108 ALA -7.22 -3.73 0 92 PHE 3.76 3.52 0 10 ASN -0.30 -2.88 1 11 ASP 0.00 -0.73 1 12 ALA 1.98 -0.11 1 13 ASP 1.53 -1.68 1 14 MET 2.23 -0.45 1 15 ALA 2.47 -2.57 1 16 ARG 2.37 -2.80 1 17 LEU 2.38 -0.79 1 18 LEU 2.14 -0.41 1 19 GLU 1.30 -0.22 1 20 GLN 1.78 -1.06 1 21 TRP 0.16 -0.60 1 22 GLU 0.17 -1.49 1 23 LYS 0.20 -1.54 1 24 ASP 0.06 -1.54 1 25 ASP 0.04 -1.61 1 26 ASP 0.06 -0.25 1 27 ILE -0.19 -1.53 1 28 GLU -0.80 -1.47 1 29 GLU -0.08 0.02 1 31 ASP -0.40 -0.36 1 34 GLU 1.18 -0.75 1 35 HIS -0.15 0.84 1 36 LYS -0.08 -1.83 1 39 SER -0.28 -2.15 1 42 ILE -0.38 -2.47 1 43 ASP -0.82 -1.32 1 44 PHE 2.08 -0.49 1 45 SER 2.02 -1.21 1 46 LYS 0.29 -1.52 1 47 LEU -0.31 -2.38 1 53 GLU 2.30 -0.66 1 54 SER 1.90 2.02 1 55 ILE 1.93 -0.11 1 56 LEU 2.16 -0.85 1 57 LYS 1.97 -0.72 1 58 MET 0.71 -0.24 1 59 THR 0.80 1.25 1 60 LYS -0.30 -1.71 1 61 LYS 0.20 -1.81 1 63 LYS -1.19 -1.91 1 64 THR 0.93 -1.82 1 65 LEU -4.28 -5.11 1 66 MET -3.73 -4.01 1 67 MET -4.71 -3.74 1 68 PHE -1.84 -1.64 1 69 VAL -4.60 -3.68 1 70 THR -1.71 -1.97 1 71 VAL -0.98 -1.93 1 72 SER -1.58 -0.12 1 76 THR -2.43 -0.69 1 77 GLU 3.96 0.60 1 78 LYS 3.42 0.97 1 79 GLU 2.74 0.87 1 80 THR 5.34 2.36 1 81 GLU 4.52 -0.54 1 83 ILE 3.68 -0.23 1 84 THR 3.45 1.83 1 85 SER 2.99 1.65 1 86 LEU -0.31 -4.35 1 87 TRP -1.77 0.88 1 88 GLN 5.73 0.23 1 90 SER 4.34 0.02 1 91 LEU 3.70 -2.98 1 93 ASN 3.02 -1.14 1 94 ALA -0.43 -4.30 1 95 ASN 4.03 -2.32 1 96 TYR -1.77 -2.57 1 97 ASP -0.59 -2.30 1 98 VAL -6.05 -1.51 1 99 GLN -4.22 -1.06 1 100 ARG -2.83 -1.36 1 101 PHE -2.51 1.29 1 102 ILE 0.16 -1.77 1 103 VAL -1.54 -3.14 1 105 SER 4.58 -1.98 1 106 ASP -2.85 -2.30 1 107 ARG -5.82 -3.45 1 109 ILE -3.77 -3.20 1 110 PHE -2.66 -3.15 1 111 MET -3.79 -3.63 1 112 LEU -1.44 -4.49 1 113 ARG 2.96 -2.05 1 114 ASP -2.67 -1.55 1 116 SER 4.63 -0.16 1 117 TYR 0.66 -0.99 1 118 ALA 2.86 -1.11 1 119 TRP -0.18 0.42 1 120 GLU 1.21 -1.41 1 121 ILE 0.72 -1.38 1 122 LYS 0.06 -2.04 1 123 ASP -0.59 -2.95 1 126 VAL 4.69 -0.80 1 127 SER 0.25 -2.08 1 128 GLN -1.04 0.06 1 129 ASP 0.17 0.89 1 130 ARG -1.56 -0.11 1 132 ALA 1.69 -0.24 1 133 GLU -4.03 -3.48 1 134 VAL -4.34 -2.27 1 135 THR -0.12 -2.62 1 136 LEU -4.00 -2.50 1 137 GLU -0.82 -1.57 1 139 GLN -2.96 -4.43 1 140 MET -0.78 -1.48 1 144 LYS 1.46 -0.72 1 stop_ save_