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 bmr11101_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.36 _LACS_plot.Line_1_terminator_val_y_1 -3.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.92 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.28 _LACS_plot.Line_2_terminator_val_x_2 9.19 _LACS_plot.Line_2_terminator_val_y_2 6.69 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 PHE 4.19 5.92 0 73 ALA -8.36 -2.35 0 10 ASP 0.71 0.64 1 11 LEU 0.03 -0.04 1 12 GLU -0.30 0.28 1 13 VAL 0.51 0.14 1 14 LYS -2.42 -1.04 1 15 GLU -4.61 -2.93 1 16 GLU -3.39 -1.93 1 17 ASN 2.96 0.52 1 19 VAL -1.89 -1.71 1 20 TRP -0.40 -0.04 1 21 VAL 1.82 0.53 1 22 LEU -4.39 -3.03 1 23 ASN -3.26 -1.65 1 24 ASP 3.76 3.91 1 26 ASN -1.50 -0.72 1 28 ASP 4.63 3.73 1 29 ASN 2.84 2.43 1 30 PHE 3.67 3.95 1 31 VAL 2.17 0.78 1 32 ALA 2.94 2.56 1 33 ASP -0.21 -1.14 1 34 LYS -2.64 -1.19 1 35 ASP 2.69 4.14 1 36 THR -0.52 0.55 1 37 VAL -5.37 -1.81 1 38 LEU -2.75 -0.53 1 39 LEU -5.13 -1.65 1 40 GLU -2.98 -2.82 1 41 PHE -2.72 -1.30 1 42 TYR -7.10 -3.10 1 43 ALA -4.00 -2.84 1 45 TRP -3.31 -3.62 1 48 HIS 2.63 4.25 1 50 LYS 4.53 3.86 1 51 GLN 3.40 2.80 1 52 PHE -0.54 0.26 1 53 ALA 9.19 6.69 1 55 GLU 2.49 1.61 1 56 TYR 4.90 3.18 1 57 GLU 3.97 2.49 1 58 LYS 4.69 3.30 1 59 ILE 6.48 4.80 1 60 ALA 4.07 2.84 1 61 SER 4.36 3.08 1 62 THR 5.85 4.66 1 63 LEU 2.76 1.28 1 64 LYS 3.50 2.62 1 65 ASP -0.20 -0.45 1 66 ASN -1.68 1.06 1 67 ASP -3.20 -2.09 1 70 ILE -3.86 -1.58 1 71 ALA -1.32 -0.33 1 72 VAL -0.97 -0.14 1 74 LYS -5.81 -2.34 1 75 ILE -4.90 -0.69 1 76 ASP 0.18 -2.28 1 77 ALA -0.23 1.01 1 78 THR 2.40 1.26 1 79 SER -1.31 -0.48 1 80 ALA 0.22 -1.60 1 81 SER 3.82 3.03 1 82 MET 6.66 3.95 1 83 LEU 2.75 2.78 1 84 ALA 3.83 2.94 1 85 SER 3.23 2.48 1 86 LYS 3.40 3.14 1 87 PHE 1.49 0.49 1 88 ASP 2.27 0.58 1 89 VAL 2.93 1.55 1 90 SER -1.41 -0.77 1 92 TYR -5.31 -2.08 1 94 THR -0.69 1.63 1 95 ILE -2.55 -2.04 1 96 LYS -7.13 -2.51 1 97 ILE -2.35 -0.79 1 98 LEU -3.84 -1.55 1 99 LYS -3.82 -2.84 1 100 LYS 3.93 1.24 1 102 GLN -2.96 -1.62 1 103 ALA -0.62 0.39 1 104 VAL -1.57 -0.55 1 105 ASP 1.32 1.55 1 106 TYR -0.47 0.35 1 107 ASP -1.94 -1.32 1 109 SER 0.58 0.55 1 110 ARG 2.88 -0.21 1 111 THR -5.17 -2.92 1 112 GLN 4.86 4.10 1 113 GLU 4.62 3.92 1 114 GLU 3.52 3.23 1 115 ILE 6.29 5.00 1 116 VAL 7.21 5.50 1 117 ALA 4.03 3.01 1 118 LYS 3.26 1.05 1 119 VAL 6.40 4.59 1 120 ARG 5.95 4.53 1 121 GLU 3.03 3.13 1 122 VAL 3.03 1.59 1 123 SER 0.99 1.33 1 124 GLN 1.57 0.82 1 126 ASP -0.17 -1.28 1 127 TRP 3.29 3.47 1 128 THR -2.39 -1.64 1 132 GLU -0.39 0.02 1 133 VAL 0.25 0.14 1 134 THR -0.35 -0.24 1 135 SER -0.32 -0.02 1 138 SER -0.17 0.08 1 139 SER -0.24 0.05 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11101_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.36 _LACS_plot.Line_1_terminator_val_y_1 4.61 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.08 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.72 _LACS_plot.Line_2_terminator_val_x_2 9.19 _LACS_plot.Line_2_terminator_val_y_2 -2.50 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 PHE 4.19 1.73 0 73 ALA -8.36 6.01 0 10 ASP 0.71 -0.07 1 11 LEU 0.03 -0.07 1 12 GLU -0.30 0.58 1 13 VAL 0.51 -0.37 1 14 LYS -2.42 1.38 1 15 GLU -4.61 1.68 1 16 GLU -3.39 1.46 1 17 ASN 2.96 -2.44 1 19 VAL -1.89 0.18 1 20 TRP -0.40 0.36 1 21 VAL 1.82 -1.29 1 22 LEU -4.39 1.36 1 23 ASN -3.26 1.61 1 24 ASP 3.76 0.15 1 26 ASN -1.50 0.78 1 28 ASP 4.63 -0.90 1 29 ASN 2.84 -0.41 1 30 PHE 3.67 0.28 1 31 VAL 2.17 -1.39 1 32 ALA 2.94 -0.38 1 33 ASP -0.21 -0.93 1 34 LYS -2.64 1.45 1 35 ASP 2.69 1.45 1 36 THR -0.52 1.07 1 37 VAL -5.37 3.56 1 38 LEU -2.75 2.22 1 39 LEU -5.13 3.48 1 40 GLU -2.98 0.16 1 41 PHE -2.72 1.42 1 42 TYR -7.10 4.00 1 43 ALA -4.00 1.16 1 45 TRP -3.31 -0.31 1 48 HIS 2.63 1.62 1 50 LYS 4.53 -0.67 1 51 GLN 3.40 -0.60 1 52 PHE -0.54 0.80 1 53 ALA 9.19 -2.50 1 55 GLU 2.49 -0.88 1 56 TYR 4.90 -1.72 1 57 GLU 3.97 -1.48 1 58 LYS 4.69 -1.39 1 59 ILE 6.48 -1.68 1 60 ALA 4.07 -1.23 1 61 SER 4.36 -1.28 1 62 THR 5.85 -1.19 1 63 LEU 2.76 -1.48 1 64 LYS 3.50 -0.88 1 65 ASP -0.20 -0.25 1 66 ASN -1.68 2.74 1 67 ASP -3.20 1.11 1 70 ILE -3.86 2.28 1 71 ALA -1.32 0.99 1 72 VAL -0.97 0.83 1 74 LYS -5.81 3.47 1 75 ILE -4.90 4.21 1 76 ASP 0.18 -2.46 1 77 ALA -0.23 1.24 1 78 THR 2.40 -1.14 1 79 SER -1.31 0.83 1 80 ALA 0.22 -1.82 1 81 SER 3.82 -0.79 1 82 MET 6.66 -2.71 1 83 LEU 2.75 0.03 1 84 ALA 3.83 -0.89 1 85 SER 3.23 -0.75 1 86 LYS 3.40 -0.26 1 87 PHE 1.49 -1.00 1 88 ASP 2.27 -1.69 1 89 VAL 2.93 -1.38 1 90 SER -1.41 0.64 1 92 TYR -5.31 3.23 1 94 THR -0.69 2.32 1 95 ILE -2.55 0.51 1 96 LYS -7.13 4.62 1 97 ILE -2.35 1.56 1 98 LEU -3.84 2.29 1 99 LYS -3.82 0.98 1 100 LYS 3.93 -2.69 1 102 GLN -2.96 1.34 1 103 ALA -0.62 1.01 1 104 VAL -1.57 1.02 1 105 ASP 1.32 0.23 1 106 TYR -0.47 0.82 1 107 ASP -1.94 0.62 1 109 SER 0.58 -0.03 1 110 ARG 2.88 -3.09 1 111 THR -5.17 2.25 1 112 GLN 4.86 -0.76 1 113 GLU 4.62 -0.70 1 114 GLU 3.52 -0.29 1 115 ILE 6.29 -1.29 1 116 VAL 7.21 -1.71 1 117 ALA 4.03 -1.02 1 118 LYS 3.26 -2.21 1 119 VAL 6.40 -1.81 1 120 ARG 5.95 -1.42 1 121 GLU 3.03 0.10 1 122 VAL 3.03 -1.44 1 123 SER 0.99 0.34 1 124 GLN 1.57 -0.75 1 126 ASP -0.17 -1.11 1 127 TRP 3.29 0.18 1 128 THR -2.39 0.75 1 132 GLU -0.39 0.41 1 133 VAL 0.25 -0.11 1 134 THR -0.35 0.11 1 135 SER -0.32 0.30 1 138 SER -0.17 0.25 1 139 SER -0.24 0.29 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11101_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.36 _LACS_plot.Line_1_terminator_val_y_1 0.80 _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 0.16 _LACS_plot.Line_2_terminator_val_x_2 9.19 _LACS_plot.Line_2_terminator_val_y_2 -0.86 _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 122 VAL 3.03 -1.80 0 10 ASP 0.71 -0.06 1 11 LEU 0.03 -0.04 1 12 GLU -0.30 -0.12 1 13 VAL 0.51 0.10 1 14 LYS -2.42 0.32 1 15 GLU -4.61 0.34 1 16 GLU -3.39 -0.03 1 17 ASN 2.96 -0.59 1 19 VAL -1.89 -0.18 1 20 TRP -0.40 -0.12 1 21 VAL 1.82 0.24 1 22 LEU -4.39 1.02 1 23 ASN -3.26 -0.20 1 24 ASP 3.76 -0.28 1 26 ASN -1.50 0.22 1 27 PHE 4.19 -0.66 1 28 ASP 4.63 -0.39 1 29 ASN 2.84 -0.39 1 30 PHE 3.67 -0.58 1 31 VAL 2.17 -0.49 1 32 ALA 2.94 -0.42 1 33 ASP -0.21 -0.07 1 34 LYS -2.64 0.05 1 35 ASP 2.69 -0.33 1 36 THR -0.52 1.05 1 37 VAL -5.37 0.48 1 38 LEU -2.75 0.38 1 39 LEU -5.13 0.47 1 40 GLU -2.98 0.73 1 41 PHE -2.72 0.95 1 42 TYR -7.10 0.73 1 43 ALA -4.00 -0.28 1 45 TRP -3.31 -0.06 1 48 HIS 2.63 -0.10 1 50 LYS 4.53 -0.32 1 51 GLN 3.40 -0.23 1 52 PHE -0.54 0.10 1 53 ALA 9.19 -0.68 1 55 GLU 2.49 -0.38 1 56 TYR 4.90 -0.75 1 57 GLU 3.97 -0.78 1 58 LYS 4.69 -0.29 1 59 ILE 6.48 -0.84 1 60 ALA 4.07 -0.51 1 61 SER 4.36 -0.36 1 62 THR 5.85 -0.41 1 63 LEU 2.76 -0.22 1 64 LYS 3.50 -0.14 1 65 ASP -0.20 0.15 1 66 ASN -1.68 -0.48 1 67 ASP -3.20 0.12 1 70 ILE -3.86 0.17 1 71 ALA -1.32 0.19 1 72 VAL -0.97 0.52 1 73 ALA -8.36 1.53 1 74 LYS -5.81 1.34 1 75 ILE -4.90 0.24 1 76 ASP 0.18 -1.22 1 77 ALA -0.23 -0.29 1 78 THR 2.40 -0.07 1 79 SER -1.31 0.31 1 80 ALA 0.22 0.58 1 81 SER 3.82 -0.35 1 82 MET 6.66 -0.26 1 83 LEU 2.75 -0.38 1 84 ALA 3.83 -0.56 1 85 SER 3.23 -0.10 1 86 LYS 3.40 -0.52 1 87 PHE 1.49 -0.26 1 88 ASP 2.27 -0.44 1 89 VAL 2.93 -0.45 1 90 SER -1.41 -0.01 1 92 TYR -5.31 0.22 1 94 THR -0.69 0.29 1 95 ILE -2.55 1.19 1 96 LYS -7.13 0.78 1 97 ILE -2.35 0.45 1 98 LEU -3.84 0.60 1 99 LYS -3.82 1.10 1 100 LYS 3.93 -0.30 1 102 GLN -2.96 0.37 1 103 ALA -0.62 0.39 1 104 VAL -1.57 0.19 1 105 ASP 1.32 0.01 1 106 TYR -0.47 0.16 1 107 ASP -1.94 0.13 1 109 SER 0.58 -0.10 1 110 ARG 2.88 0.10 1 111 THR -5.17 0.46 1 112 GLN 4.86 -0.55 1 113 GLU 4.62 -0.49 1 114 GLU 3.52 -0.16 1 115 ILE 6.29 -0.77 1 116 VAL 7.21 -0.80 1 117 ALA 4.03 -0.24 1 118 LYS 3.26 0.02 1 119 VAL 6.40 -0.75 1 120 ARG 5.95 -0.57 1 121 GLU 3.03 -0.28 1 123 SER 0.99 -0.06 1 124 GLN 1.57 -0.30 1 126 ASP -0.17 0.03 1 127 TRP 3.29 -0.43 1 128 THR -2.39 -0.29 1 132 GLU -0.39 -0.10 1 133 VAL 0.25 0.06 1 134 THR -0.35 0.07 1 135 SER -0.32 0.05 1 139 SER -0.24 0.03 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11101_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.36 _LACS_plot.Line_1_terminator_val_y_1 -3.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.09 _LACS_plot.Line_2_terminator_val_x_2 9.19 _LACS_plot.Line_2_terminator_val_y_2 3.38 _LACS_plot.Y_axis_chem_shift_offset 0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 48 HIS 2.63 6.23 0 10 ASP 0.71 0.07 1 11 LEU 0.03 0.02 1 12 GLU -0.30 -0.38 1 13 VAL 0.51 -1.11 1 14 LYS -2.42 -2.22 1 15 GLU -4.61 -0.78 1 16 GLU -3.39 -0.57 1 17 ASN 2.96 -0.49 1 19 VAL -1.89 -1.05 1 20 TRP -0.40 -0.78 1 21 VAL 1.82 -0.62 1 22 LEU -4.39 -2.50 1 23 ASN -3.26 -1.37 1 24 ASP 3.76 2.79 1 26 ASN -1.50 2.99 1 27 PHE 4.19 0.67 1 28 ASP 4.63 2.91 1 29 ASN 2.84 1.67 1 30 PHE 3.67 1.22 1 31 VAL 2.17 1.20 1 32 ALA 2.94 -0.09 1 33 ASP -0.21 -0.66 1 34 LYS -2.64 -0.86 1 35 ASP 2.69 -0.42 1 36 THR -0.52 -1.61 1 37 VAL -5.37 -2.50 1 38 LEU -2.75 -4.47 1 39 LEU -5.13 -2.82 1 40 GLU -2.98 -2.11 1 41 PHE -2.72 -0.51 1 42 TYR -7.10 -5.51 1 43 ALA -4.00 1.11 1 45 TRP -3.31 0.03 1 50 LYS 4.53 2.60 1 51 GLN 3.40 1.22 1 52 PHE -0.54 -0.17 1 53 ALA 9.19 0.78 1 55 GLU 2.49 1.87 1 56 TYR 4.90 1.72 1 57 GLU 3.97 3.13 1 58 LYS 4.69 3.04 1 59 ILE 6.48 0.78 1 60 ALA 4.07 2.24 1 61 SER 4.36 2.66 1 62 THR 5.85 2.23 1 63 LEU 2.76 0.21 1 64 LYS 3.50 0.01 1 65 ASP -0.20 -0.64 1 66 ASN -1.68 -2.62 1 67 ASP -3.20 -1.03 1 70 ILE -3.86 -1.78 1 71 ALA -1.32 -2.84 1 72 VAL -0.97 -1.93 1 73 ALA -8.36 -0.90 1 74 LYS -5.81 -3.69 1 75 ILE -4.90 -2.39 1 76 ASP 0.18 -0.27 1 77 ALA -0.23 -0.90 1 78 THR 2.40 0.35 1 79 SER -1.31 -0.39 1 80 ALA 0.22 -2.06 1 81 SER 3.82 3.45 1 82 MET 6.66 3.91 1 83 LEU 2.75 1.53 1 84 ALA 3.83 1.60 1 85 SER 3.23 3.10 1 86 LYS 3.40 1.17 1 87 PHE 1.49 -2.80 1 88 ASP 2.27 -1.27 1 89 VAL 2.93 0.14 1 90 SER -1.41 -1.53 1 92 TYR -5.31 -1.50 1 94 THR -0.69 -2.15 1 95 ILE -2.55 -1.23 1 96 LYS -7.13 -3.00 1 97 ILE -2.35 -2.46 1 98 LEU -3.84 -2.26 1 99 LYS -3.82 -0.61 1 100 LYS 3.93 0.64 1 102 GLN -2.96 -1.10 1 103 ALA -0.62 -0.82 1 104 VAL -1.57 -0.62 1 105 ASP 1.32 -0.63 1 106 TYR -0.47 -2.03 1 107 ASP -1.94 -0.69 1 109 SER 0.58 2.18 1 110 ARG 2.88 -1.46 1 111 THR -5.17 0.05 1 112 GLN 4.86 1.16 1 113 GLU 4.62 2.90 1 114 GLU 3.52 2.66 1 115 ILE 6.29 1.45 1 116 VAL 7.21 1.11 1 117 ALA 4.03 3.05 1 118 LYS 3.26 1.68 1 119 VAL 6.40 1.59 1 120 ARG 5.95 3.22 1 121 GLU 3.03 1.98 1 122 VAL 3.03 -0.18 1 123 SER 0.99 -0.18 1 124 GLN 1.57 2.08 1 126 ASP -0.17 -0.55 1 127 TRP 3.29 0.52 1 128 THR -2.39 -3.52 1 132 GLU -0.39 0.12 1 133 VAL 0.25 0.14 1 134 THR -0.35 -0.18 1 135 SER -0.32 -0.10 1 138 SER -0.17 0.10 1 139 SER -0.24 -0.62 1 stop_ save_