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 bmr18994_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.18 _LACS_plot.Line_1_terminator_val_y_1 -2.85 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.51 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.64 _LACS_plot.Line_2_terminator_val_x_2 7.90 _LACS_plot.Line_2_terminator_val_y_2 5.96 _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 129 SER -5.22 1.78 0 11 GLN 0.54 0.47 1 12 ASN 0.90 0.93 1 13 THR 1.51 1.51 1 14 PHE 4.01 3.53 1 15 LEU 3.85 3.10 1 16 ASP 3.56 3.24 1 17 THR 4.95 4.05 1 18 ILE 4.05 0.92 1 19 ALA 5.30 3.45 1 20 THR 4.18 3.53 1 21 ARG 3.46 2.48 1 22 PHE 1.29 1.11 1 23 ASP 2.07 2.17 1 25 THR 1.14 1.41 1 26 HIS -1.32 1.05 1 27 SER 1.66 1.84 1 28 ASN -1.48 -1.72 1 29 PHE -3.33 -1.08 1 30 VAL -5.52 -3.86 1 31 LEU -4.49 -2.48 1 33 ASN 1.10 0.39 1 34 ALA -0.08 0.78 1 35 GLN 1.03 0.75 1 36 VAL 0.22 -0.92 1 37 GLN 3.14 2.13 1 38 SER 5.01 4.09 1 39 LEU 0.77 2.03 1 40 TYR 1.23 0.90 1 42 ILE 2.92 2.64 1 43 VAL -1.86 -1.70 1 44 TYR -3.39 1.07 1 46 SER -2.42 -0.95 1 47 ASP 4.69 3.74 1 49 PHE 5.47 5.68 1 51 GLU 2.66 2.27 1 52 LEU 3.11 2.74 1 53 THR 1.43 2.03 1 55 TYR -1.31 0.52 1 56 ALA -2.93 -2.19 1 57 ARG 6.06 4.86 1 58 ALA 2.85 2.28 1 59 GLU -0.21 0.47 1 60 LEU -2.49 -0.15 1 61 MET 2.35 0.56 1 62 GLN 5.26 2.78 1 63 LYS -0.39 -0.46 1 64 SER 1.19 0.78 1 66 ALA 2.12 0.68 1 68 HIS 1.53 2.60 1 69 PHE 1.68 -1.05 1 70 LEU 0.72 -1.06 1 71 TYR 0.94 0.52 1 74 GLU 0.22 -0.71 1 75 THR 3.64 1.92 1 76 SER -0.12 -0.10 1 77 ASP 3.98 3.10 1 78 ARG 3.51 2.78 1 79 LEU 3.27 2.23 1 80 MET 5.39 3.95 1 81 ALA 3.84 2.61 1 82 GLN 3.58 3.09 1 83 ILE 5.19 4.86 1 84 GLN 4.67 2.82 1 86 ALA 4.55 3.04 1 87 LEU 3.56 1.65 1 88 ASP 4.11 3.34 1 89 GLU -0.07 -0.40 1 90 ARG 5.08 1.18 1 91 ARG -4.64 -1.46 1 92 GLU -0.76 -0.41 1 93 PHE -4.18 0.25 1 94 LYS -4.79 -2.06 1 95 THR 0.86 -0.47 1 96 GLU -4.68 -2.30 1 97 LEU -0.59 0.19 1 98 VAL 1.57 -0.08 1 99 PHE -1.98 -0.50 1 100 TYR -1.32 0.09 1 101 LYS 5.13 3.14 1 102 LYS 1.76 1.48 1 105 THR -2.07 -0.61 1 106 GLN -2.92 -1.37 1 107 PHE -0.69 0.37 1 108 TRP -1.24 -0.60 1 110 LEU -5.06 -1.65 1 111 LEU -4.59 -0.90 1 112 ASP -1.76 0.02 1 113 ILE -4.08 -0.59 1 114 VAL -0.70 -1.62 1 116 ILE -4.01 -1.42 1 117 LYS -2.21 -2.49 1 118 ASN 4.09 2.55 1 119 GLU 0.02 -0.46 1 120 LYS -2.29 -2.02 1 122 GLU 4.13 1.76 1 123 VAL -0.82 -0.22 1 124 VAL -9.18 -2.21 1 125 LEU -2.95 -0.44 1 126 PHE -0.36 -0.21 1 127 LEU -0.08 -0.54 1 128 VAL -3.64 -1.23 1 130 HIS -3.89 -1.03 1 131 LYS 1.08 0.24 1 132 ASP 0.99 0.01 1 133 ILE 7.91 6.87 1 134 THR 3.10 2.21 1 135 ASP 1.32 1.20 1 136 ASN 1.24 -0.09 1 137 LYS 1.39 1.00 1 138 LYS 0.79 0.58 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18994_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.18 _LACS_plot.Line_1_terminator_val_y_1 6.33 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.49 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.36 _LACS_plot.Line_2_terminator_val_x_2 7.90 _LACS_plot.Line_2_terminator_val_y_2 -1.94 _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 129 SER -5.22 7.00 0 11 GLN 0.54 -0.07 1 12 ASN 0.90 0.03 1 13 THR 1.51 0.00 1 14 PHE 4.01 -0.48 1 15 LEU 3.85 -0.75 1 16 ASP 3.56 -0.32 1 17 THR 4.95 -0.90 1 18 ILE 4.05 -3.13 1 19 ALA 5.30 -1.85 1 20 THR 4.18 -0.65 1 21 ARG 3.46 -0.98 1 22 PHE 1.29 -0.18 1 23 ASP 2.07 0.10 1 25 THR 1.14 0.27 1 26 HIS -1.32 2.37 1 27 SER 1.66 0.18 1 28 ASN -1.48 -0.24 1 29 PHE -3.33 2.25 1 30 VAL -5.52 1.66 1 31 LEU -4.49 2.01 1 33 ASN 1.10 -0.71 1 34 ALA -0.08 0.86 1 35 GLN 1.03 -0.28 1 36 VAL 0.22 -1.14 1 37 GLN 3.14 -1.01 1 38 SER 5.01 -0.92 1 39 LEU 0.77 1.26 1 40 TYR 1.23 -0.33 1 42 ILE 2.92 -0.28 1 43 VAL -1.86 0.16 1 44 TYR -3.39 4.46 1 46 SER -2.42 1.47 1 47 ASP 4.69 -0.95 1 49 PHE 5.47 0.21 1 51 GLU 2.66 -0.39 1 52 LEU 3.11 -0.37 1 53 THR 1.43 0.60 1 55 TYR -1.31 1.83 1 56 ALA -2.93 0.74 1 57 ARG 6.06 -1.20 1 58 ALA 2.85 -0.57 1 59 GLU -0.21 0.68 1 60 LEU -2.49 2.34 1 61 MET 2.35 -1.79 1 62 GLN 5.26 -2.48 1 63 LYS -0.39 -0.07 1 64 SER 1.19 -0.41 1 66 ALA 2.12 -1.44 1 68 HIS 1.53 1.07 1 69 PHE 1.68 -2.73 1 70 LEU 0.72 -1.78 1 71 TYR 0.94 -0.42 1 74 GLU 0.22 -0.93 1 75 THR 3.64 -1.72 1 76 SER -0.12 0.02 1 77 ASP 3.98 -0.88 1 78 ARG 3.51 -0.73 1 79 LEU 3.27 -1.04 1 80 MET 5.39 -1.44 1 81 ALA 3.84 -1.23 1 82 GLN 3.58 -0.49 1 83 ILE 5.19 -0.33 1 84 GLN 4.67 -1.85 1 86 ALA 4.55 -1.51 1 87 LEU 3.56 -1.91 1 88 ASP 4.11 -0.77 1 89 GLU -0.07 -0.33 1 90 ARG 5.08 -3.90 1 91 ARG -4.64 3.18 1 92 GLU -0.76 0.35 1 93 PHE -4.18 4.43 1 94 LYS -4.79 2.73 1 95 THR 0.86 -1.33 1 96 GLU -4.68 2.38 1 97 LEU -0.59 0.78 1 98 VAL 1.57 -1.65 1 99 PHE -1.98 1.48 1 100 TYR -1.32 1.41 1 101 LYS 5.13 -1.99 1 102 LYS 1.76 -0.28 1 105 THR -2.07 1.46 1 106 GLN -2.92 1.55 1 107 PHE -0.69 1.06 1 108 TRP -1.24 0.64 1 110 LEU -5.06 3.41 1 111 LEU -4.59 3.69 1 112 ASP -1.76 1.78 1 113 ILE -4.08 3.49 1 114 VAL -0.70 -0.92 1 116 ILE -4.01 2.59 1 117 LYS -2.21 -0.28 1 118 ASN 4.09 -1.54 1 119 GLU 0.02 -0.48 1 120 LYS -2.29 0.27 1 122 GLU 4.13 -2.37 1 123 VAL -0.82 0.60 1 124 VAL -9.18 6.97 1 125 LEU -2.95 2.51 1 126 PHE -0.36 0.15 1 127 LEU -0.08 -0.46 1 128 VAL -3.64 2.41 1 130 HIS -3.89 2.86 1 131 LYS 1.08 -0.84 1 132 ASP 0.99 -0.98 1 133 ILE 7.91 -1.04 1 134 THR 3.10 -0.89 1 135 ASP 1.32 -0.12 1 136 ASN 1.24 -1.33 1 137 LYS 1.39 -0.39 1 138 LYS 0.79 -0.21 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18994_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.18 _LACS_plot.Line_1_terminator_val_y_1 1.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _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 7.90 _LACS_plot.Line_2_terminator_val_y_2 -0.80 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 31 LEU -4.49 1.67 0 64 SER 1.19 1.28 0 11 GLN 0.54 0.10 1 12 ASN 0.90 0.03 1 13 THR 1.51 -0.02 1 14 PHE 4.01 -0.26 1 15 LEU 3.85 -0.65 1 16 ASP 3.56 -0.37 1 17 THR 4.95 -0.43 1 18 ILE 4.05 -0.58 1 19 ALA 5.30 -0.51 1 20 THR 4.18 -0.25 1 21 ARG 3.46 -0.41 1 22 PHE 1.29 -0.04 1 23 ASP 2.07 0.25 1 25 THR 1.14 -0.02 1 26 HIS -1.32 0.11 1 27 SER 1.66 0.27 1 28 ASN -1.48 0.21 1 29 PHE -3.33 1.47 1 30 VAL -5.52 0.91 1 33 ASN 1.10 0.00 1 34 ALA -0.08 0.05 1 35 GLN 1.03 0.03 1 36 VAL 0.22 0.08 1 37 GLN 3.14 -0.46 1 38 SER 5.01 -0.57 1 39 LEU 0.77 -0.30 1 40 TYR 1.23 0.27 1 42 ILE 2.92 0.12 1 43 VAL -1.86 0.61 1 44 TYR -3.39 -0.04 1 46 SER -2.42 -0.14 1 47 ASP 4.69 -0.32 1 49 PHE 5.47 -0.77 1 51 GLU 2.66 -0.48 1 52 LEU 3.11 -0.45 1 53 THR 1.43 -0.04 1 55 TYR -1.31 -0.29 1 56 ALA -2.93 0.14 1 57 ARG 6.06 -0.66 1 58 ALA 2.85 -0.30 1 59 GLU -0.21 -0.15 1 60 LEU -2.49 -0.57 1 61 MET 2.35 -0.48 1 62 GLN 5.26 -0.59 1 63 LYS -0.39 0.14 1 66 ALA 2.12 -0.41 1 69 PHE 1.68 -0.15 1 70 LEU 0.72 0.45 1 71 TYR 0.94 0.16 1 74 GLU 0.22 0.01 1 75 THR 3.64 -0.34 1 76 SER -0.12 -0.14 1 77 ASP 3.98 -0.10 1 78 ARG 3.51 -0.19 1 79 LEU 3.27 -0.11 1 80 MET 5.39 -0.48 1 81 ALA 3.84 -0.11 1 82 GLN 3.58 -0.46 1 83 ILE 5.19 -1.10 1 84 GLN 4.67 -0.64 1 86 ALA 4.55 -0.52 1 87 LEU 3.56 -1.06 1 88 ASP 4.11 -0.10 1 89 GLU -0.07 -0.06 1 90 ARG 5.08 -0.50 1 91 ARG -4.64 0.38 1 92 GLU -0.76 0.19 1 93 PHE -4.18 0.19 1 94 LYS -4.79 1.05 1 95 THR 0.86 0.01 1 96 GLU -4.68 1.37 1 97 LEU -0.59 0.15 1 98 VAL 1.57 -0.58 1 99 PHE -1.98 0.37 1 100 TYR -1.32 0.09 1 101 LYS 5.13 -0.41 1 102 LYS 1.76 -0.05 1 105 THR -2.07 0.27 1 106 GLN -2.92 0.25 1 107 PHE -0.69 -0.28 1 108 TRP -1.24 0.55 1 110 LEU -5.06 0.70 1 111 LEU -4.59 0.74 1 112 ASP -1.76 0.77 1 113 ILE -4.08 0.25 1 114 VAL -0.70 0.13 1 116 ILE -4.01 0.99 1 117 LYS -2.21 -0.03 1 118 ASN 4.09 -0.21 1 119 GLU 0.02 0.06 1 120 LYS -2.29 -0.06 1 122 GLU 4.13 -0.31 1 123 VAL -0.82 0.28 1 124 VAL -9.18 1.13 1 125 LEU -2.95 0.32 1 126 PHE -0.36 0.43 1 127 LEU -0.08 0.92 1 128 VAL -3.64 1.20 1 129 SER -5.22 0.46 1 130 HIS -3.89 0.58 1 131 LYS 1.08 0.74 1 132 ASP 0.99 0.65 1 133 ILE 7.91 -0.06 1 134 THR 3.10 -0.20 1 135 ASP 1.32 -0.14 1 136 ASN 1.24 -0.26 1 137 LYS 1.39 -0.16 1 138 LYS 0.79 -0.09 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18994_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.18 _LACS_plot.Line_1_terminator_val_y_1 -3.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.79 _LACS_plot.Line_2_terminator_val_x_2 7.90 _LACS_plot.Line_2_terminator_val_y_2 2.35 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 124 VAL -9.18 -3.41 0 97 LEU -0.59 -5.61 0 11 GLN 0.54 0.12 1 12 ASN 0.90 0.59 1 13 THR 1.51 1.16 1 14 PHE 4.01 1.29 1 15 LEU 3.85 0.12 1 16 ASP 3.56 2.61 1 17 THR 4.95 1.64 1 18 ILE 4.05 0.79 1 19 ALA 5.30 1.77 1 20 THR 4.18 1.69 1 21 ARG 3.46 1.82 1 22 PHE 1.29 0.42 1 23 ASP 2.07 1.32 1 25 THR 1.14 -0.06 1 26 HIS -1.32 0.43 1 28 ASN -1.48 -3.57 1 29 PHE -3.33 -3.09 1 30 VAL -5.52 -1.40 1 31 LEU -4.49 -0.79 1 33 ASN 1.10 0.23 1 34 ALA -0.08 -1.08 1 35 GLN 1.03 -0.28 1 36 VAL 0.22 -2.14 1 37 GLN 3.14 1.04 1 38 SER 5.01 -0.59 1 39 LEU 0.77 -1.85 1 42 ILE 2.92 0.90 1 43 VAL -1.86 -1.00 1 44 TYR -3.39 -2.52 1 46 SER -2.42 0.30 1 47 ASP 4.69 3.95 1 49 PHE 5.47 2.46 1 51 GLU 2.66 1.92 1 52 LEU 3.11 -0.30 1 53 THR 1.43 -0.03 1 55 TYR -1.31 -1.75 1 56 ALA -2.93 1.32 1 57 ARG 6.06 2.23 1 58 ALA 2.85 2.08 1 59 GLU -0.21 -0.75 1 60 LEU -2.49 -0.91 1 61 MET 2.35 1.32 1 62 GLN 5.26 -0.48 1 63 LYS -0.39 0.17 1 64 SER 1.19 4.66 1 66 ALA 2.12 -1.15 1 68 HIS 1.53 3.10 1 69 PHE 1.68 -0.43 1 70 LEU 0.72 -1.83 1 74 GLU 0.22 0.34 1 75 THR 3.64 -0.56 1 76 SER -0.12 1.19 1 77 ASP 3.98 2.94 1 78 ARG 3.51 2.97 1 79 LEU 3.27 1.78 1 80 MET 5.39 3.24 1 81 ALA 3.84 3.16 1 82 GLN 3.58 2.65 1 83 ILE 5.19 -0.40 1 84 GLN 4.67 1.76 1 86 ALA 4.55 1.92 1 87 LEU 3.56 2.04 1 88 ASP 4.11 2.62 1 89 GLU -0.07 -1.32 1 90 ARG 5.08 -2.40 1 91 ARG -4.64 -1.91 1 92 GLU -0.76 0.07 1 93 PHE -4.18 -4.55 1 94 LYS -4.79 -1.75 1 95 THR 0.86 -3.86 1 96 GLU -4.68 -1.00 1 98 VAL 1.57 -2.45 1 99 PHE -1.98 1.15 1 100 TYR -1.32 0.57 1 101 LYS 5.13 -0.46 1 102 LYS 1.76 -1.20 1 105 THR -2.07 -0.20 1 106 GLN -2.92 -3.04 1 107 PHE -0.69 -1.55 1 108 TRP -1.24 -3.38 1 110 LEU -5.06 -3.74 1 111 LEU -4.59 -1.78 1 112 ASP -1.76 -0.63 1 113 ILE -4.08 -0.56 1 114 VAL -0.70 -1.09 1 116 ILE -4.01 0.56 1 117 LYS -2.21 2.44 1 118 ASN 4.09 0.65 1 119 GLU 0.02 0.20 1 120 LYS -2.29 -0.12 1 122 GLU 4.13 -0.50 1 123 VAL -0.82 0.12 1 125 LEU -2.95 -1.05 1 126 PHE -0.36 -3.06 1 127 LEU -0.08 -1.58 1 128 VAL -3.64 -0.60 1 129 SER -5.22 1.53 1 130 HIS -3.89 -1.55 1 131 LYS 1.08 1.36 1 132 ASP 0.99 0.04 1 133 ILE 7.91 1.27 1 134 THR 3.10 0.68 1 135 ASP 1.32 0.90 1 136 ASN 1.24 0.52 1 137 LYS 1.39 0.16 1 138 LYS 0.79 0.29 1 stop_ save_