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 bmr16868_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.87 _LACS_plot.Line_1_terminator_val_y_1 -2.87 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.42 _LACS_plot.Line_2_terminator_val_x_2 7.53 _LACS_plot.Line_2_terminator_val_y_2 5.78 _LACS_plot.Y_axis_chem_shift_offset -0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 24 PHE 7.53 6.59 0 74 GLU -7.87 -1.70 0 10 GLU 2.93 2.57 1 11 ALA 3.48 2.76 1 12 VAL 4.89 3.44 1 13 SER 4.43 3.56 1 14 ASN 2.46 2.32 1 15 GLU 1.49 1.87 1 16 LYS -0.07 -0.91 1 17 ALA 1.69 0.37 1 18 LEU -4.93 -1.56 1 20 ARG 5.13 4.73 1 21 GLU 3.42 3.09 1 22 LYS 2.22 1.09 1 23 ILE 5.82 2.96 1 25 GLU 2.65 2.87 1 26 ALA 2.97 2.44 1 27 LEU 3.25 2.75 1 28 GLU 5.10 4.16 1 29 SER 3.92 3.08 1 30 ALA 3.49 2.67 1 31 LEU 2.82 2.39 1 32 ALA 5.29 3.76 1 33 THR 6.68 5.60 1 34 ALA 3.42 2.63 1 35 THR 6.43 5.31 1 36 LYS 5.04 4.43 1 37 LYS 2.69 1.88 1 38 LYS 1.75 0.55 1 39 TYR -1.59 0.18 1 40 GLU 1.16 1.12 1 41 GLN -2.10 -0.89 1 42 GLU 1.06 0.12 1 43 ILE -4.37 -1.79 1 44 ASP -3.62 -1.37 1 45 VAL -7.07 -3.12 1 46 ARG -5.07 -1.16 1 47 VAL -2.54 -1.31 1 48 GLN -5.40 -2.22 1 49 ILE -2.11 -0.50 1 50 ASP -0.46 0.86 1 51 ARG 1.85 0.75 1 52 LYS 0.90 0.93 1 53 SER -2.13 0.26 1 55 ASP 0.71 1.09 1 56 PHE -7.07 -3.38 1 57 ASP -6.17 -1.75 1 58 THR 0.60 0.91 1 59 PHE -3.64 -1.50 1 60 ARG -1.49 -0.81 1 61 ARG -7.00 -2.81 1 62 TRP -3.89 -0.21 1 63 LEU -2.05 -0.45 1 64 VAL 3.22 0.66 1 65 VAL -6.19 -2.96 1 66 ASP 1.56 1.55 1 67 GLU -3.69 -1.59 1 68 VAL 1.08 0.63 1 69 THR 0.06 0.76 1 70 GLN -2.13 -0.74 1 72 THR 2.53 1.48 1 73 LYS -0.75 0.71 1 75 ILE -5.45 -1.70 1 76 THR -1.51 -0.20 1 77 LEU 2.90 2.82 1 78 GLU 3.14 2.90 1 79 ALA 3.04 1.79 1 80 ALA 2.32 2.56 1 81 ARG 2.73 1.75 1 82 TYR 3.07 2.12 1 83 GLU 0.53 0.38 1 84 ASP -0.45 -0.36 1 85 GLU 2.17 1.77 1 86 SER 0.52 1.01 1 87 LEU -0.37 0.52 1 88 ASN -6.21 -1.95 1 89 LEU 2.29 1.43 1 91 ASP -1.22 0.22 1 92 TYR -3.02 -0.47 1 93 VAL -1.34 -0.34 1 94 GLU -7.41 -2.18 1 95 ASP -5.01 -1.08 1 96 GLN 3.11 1.73 1 97 ILE -4.40 -1.60 1 98 GLU 0.42 0.74 1 99 SER -1.54 -0.52 1 100 VAL -0.24 -0.69 1 101 THR 0.30 0.20 1 102 PHE 0.80 0.10 1 105 ILE 3.78 1.99 1 110 ALA 3.55 2.47 1 111 LYS 5.25 4.27 1 112 GLN 4.21 2.99 1 113 VAL 4.58 3.61 1 114 ILE 4.67 3.64 1 115 VAL 5.39 4.16 1 116 GLN 4.11 2.92 1 117 LYS 3.18 1.91 1 118 VAL 4.94 3.68 1 119 ARG 3.44 2.66 1 120 GLU 2.10 2.02 1 121 ALA 2.51 1.66 1 122 GLU 1.77 1.67 1 123 ARG 2.43 1.72 1 124 ALA 1.09 0.69 1 125 MET 0.54 0.38 1 126 LEU 0.37 0.19 1 127 VAL -2.54 -0.75 1 129 ARG 0.46 1.43 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16868_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.87 _LACS_plot.Line_1_terminator_val_y_1 5.00 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.80 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.58 _LACS_plot.Line_2_terminator_val_x_2 7.53 _LACS_plot.Line_2_terminator_val_y_2 -1.75 _LACS_plot.Y_axis_chem_shift_offset -0.23 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 24 PHE 7.53 -0.94 0 74 GLU -7.87 6.17 0 10 GLU 2.93 -0.36 1 11 ALA 3.48 -0.72 1 12 VAL 4.89 -1.45 1 13 SER 4.43 -0.87 1 14 ASN 2.46 -0.14 1 15 GLU 1.49 0.38 1 16 LYS -0.07 -0.84 1 17 ALA 1.69 -1.32 1 18 LEU -4.93 3.37 1 20 ARG 5.13 -0.40 1 21 GLU 3.42 -0.33 1 22 LYS 2.22 -1.13 1 23 ILE 5.82 -2.86 1 25 GLU 2.65 0.22 1 26 ALA 2.97 -0.53 1 27 LEU 3.25 -0.50 1 28 GLU 5.10 -0.94 1 29 SER 3.92 -0.84 1 30 ALA 3.49 -0.82 1 31 LEU 2.82 -0.43 1 32 ALA 5.29 -1.53 1 33 THR 6.68 -1.08 1 34 ALA 3.42 -0.79 1 35 THR 6.43 -1.12 1 36 LYS 5.04 -0.61 1 37 LYS 2.69 -0.81 1 38 LYS 1.75 -1.20 1 39 TYR -1.59 1.77 1 40 GLU 1.16 -0.04 1 41 GLN -2.10 1.21 1 42 GLU 1.06 -0.94 1 43 ILE -4.37 2.58 1 44 ASP -3.62 2.25 1 45 VAL -7.07 3.95 1 46 ARG -5.07 3.91 1 47 VAL -2.54 1.23 1 48 GLN -5.40 3.18 1 49 ILE -2.11 1.61 1 50 ASP -0.46 1.32 1 51 ARG 1.85 -1.10 1 52 LYS 0.90 0.03 1 53 SER -2.13 2.39 1 55 ASP 0.71 0.38 1 56 PHE -7.07 3.69 1 57 ASP -6.17 4.42 1 58 THR 0.60 0.31 1 59 PHE -3.64 2.14 1 60 ARG -1.49 0.68 1 61 ARG -7.00 4.19 1 62 TRP -3.89 3.68 1 63 LEU -2.05 1.60 1 64 VAL 3.22 -2.56 1 65 VAL -6.19 3.23 1 66 ASP 1.56 -0.01 1 67 GLU -3.69 2.10 1 68 VAL 1.08 -0.45 1 69 THR 0.06 0.70 1 70 GLN -2.13 1.39 1 72 THR 2.53 -1.05 1 73 LYS -0.75 1.46 1 75 ILE -5.45 3.75 1 76 THR -1.51 1.31 1 77 LEU 2.90 -0.08 1 78 GLU 3.14 -0.24 1 79 ALA 3.04 -1.25 1 80 ALA 2.32 0.24 1 81 ARG 2.73 -0.98 1 82 TYR 3.07 -0.95 1 83 GLU 0.53 -0.15 1 84 ASP -0.45 0.09 1 85 GLU 2.17 -0.40 1 86 SER 0.52 0.49 1 87 LEU -0.37 0.89 1 88 ASN -6.21 4.26 1 89 LEU 2.29 -0.86 1 91 ASP -1.22 1.44 1 92 TYR -3.02 2.55 1 93 VAL -1.34 1.00 1 94 GLU -7.41 5.23 1 95 ASP -5.01 3.93 1 96 GLN 3.11 -1.38 1 97 ILE -4.40 2.80 1 98 GLU 0.42 0.32 1 99 SER -1.54 1.02 1 100 VAL -0.24 -0.45 1 101 THR 0.30 -0.10 1 102 PHE 0.80 -0.70 1 105 ILE 3.78 -1.79 1 110 ALA 3.55 -1.08 1 111 LYS 5.25 -0.98 1 112 GLN 4.21 -1.22 1 113 VAL 4.58 -0.97 1 114 ILE 4.67 -1.03 1 115 VAL 5.39 -1.23 1 116 GLN 4.11 -1.19 1 117 LYS 3.18 -1.27 1 118 VAL 4.94 -1.26 1 119 ARG 3.44 -0.78 1 120 GLU 2.10 -0.08 1 121 ALA 2.51 -0.85 1 122 GLU 1.77 -0.10 1 123 ARG 2.43 -0.71 1 124 ALA 1.09 -0.40 1 125 MET 0.54 -0.16 1 126 LEU 0.37 -0.18 1 127 VAL -2.54 1.79 1 129 ARG 0.46 0.97 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16868_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.87 _LACS_plot.Line_1_terminator_val_y_1 0.66 _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 0.15 _LACS_plot.Line_2_terminator_val_x_2 7.53 _LACS_plot.Line_2_terminator_val_y_2 -0.64 _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 51 ARG 1.85 -1.14 0 94 GLU -7.41 1.71 0 10 GLU 2.93 -0.46 1 11 ALA 3.48 -0.15 1 12 VAL 4.89 -0.31 1 13 SER 4.43 -0.40 1 14 ASN 2.46 -0.18 1 15 GLU 1.49 -0.22 1 16 LYS -0.07 0.01 1 17 ALA 1.69 -0.06 1 18 LEU -4.93 0.15 1 20 ARG 5.13 -0.59 1 21 GLU 3.42 0.01 1 22 LYS 2.22 -0.11 1 23 ILE 5.82 -0.59 1 24 PHE 7.53 -0.74 1 25 GLU 2.65 -0.17 1 26 ALA 2.97 -0.15 1 27 LEU 3.25 -0.41 1 28 GLU 5.10 -0.81 1 29 SER 3.92 -0.17 1 30 ALA 3.49 -0.17 1 31 LEU 2.82 -0.37 1 32 ALA 5.29 -0.47 1 33 THR 6.68 -0.54 1 34 ALA 3.42 -0.22 1 35 THR 6.43 -0.47 1 36 LYS 5.04 -0.53 1 37 LYS 2.69 -0.11 1 38 LYS 1.75 -0.21 1 39 TYR -1.59 -0.07 1 40 GLU 1.16 -0.24 1 41 GLN -2.10 0.08 1 42 GLU 1.06 -0.17 1 43 ILE -4.37 0.24 1 44 ASP -3.62 0.25 1 45 VAL -7.07 1.13 1 46 ARG -5.07 0.34 1 47 VAL -2.54 0.85 1 48 GLN -5.40 0.62 1 49 ILE -2.11 0.30 1 50 ASP -0.46 -0.19 1 52 LYS 0.90 0.09 1 53 SER -2.13 0.16 1 55 ASP 0.71 -0.03 1 56 PHE -7.07 1.15 1 57 ASP -6.17 0.14 1 58 THR 0.60 0.36 1 59 PHE -3.64 0.42 1 60 ARG -1.49 0.45 1 61 ARG -7.00 1.43 1 62 TRP -3.89 0.01 1 63 LEU -2.05 -0.35 1 64 VAL 3.22 0.29 1 65 VAL -6.19 0.60 1 66 ASP 1.56 -0.06 1 67 GLU -3.69 0.04 1 68 VAL 1.08 -0.21 1 69 THR 0.06 0.24 1 70 GLN -2.13 0.33 1 72 THR 2.53 0.10 1 73 LYS -0.75 0.13 1 74 GLU -7.87 1.43 1 75 ILE -5.45 0.36 1 76 THR -1.51 0.28 1 77 LEU 2.90 -0.53 1 78 GLU 3.14 -0.58 1 79 ALA 3.04 -0.38 1 80 ALA 2.32 -0.50 1 81 ARG 2.73 -0.06 1 82 TYR 3.07 -0.27 1 83 GLU 0.53 -0.07 1 84 ASP -0.45 -0.07 1 85 GLU 2.17 -0.30 1 86 SER 0.52 -0.18 1 87 LEU -0.37 -0.11 1 88 ASN -6.21 0.12 1 89 LEU 2.29 -0.69 1 91 ASP -1.22 0.11 1 92 TYR -3.02 0.94 1 93 VAL -1.34 0.13 1 95 ASP -5.01 0.58 1 96 GLN 3.11 -0.01 1 97 ILE -4.40 0.53 1 98 GLU 0.42 -0.30 1 99 SER -1.54 0.36 1 100 VAL -0.24 0.19 1 101 THR 0.30 0.01 1 102 PHE 0.80 -0.07 1 105 ILE 3.78 -0.25 1 110 ALA 3.55 -0.34 1 111 LYS 5.25 -0.52 1 112 GLN 4.21 -0.27 1 113 VAL 4.58 -0.34 1 114 ILE 4.67 -0.63 1 115 VAL 5.39 -0.56 1 116 GLN 4.11 -0.29 1 117 LYS 3.18 -0.17 1 118 VAL 4.94 -0.41 1 119 ARG 3.44 -0.17 1 120 GLU 2.10 -0.33 1 121 ALA 2.51 -0.08 1 122 GLU 1.77 -0.26 1 123 ARG 2.43 -0.17 1 124 ALA 1.09 -0.06 1 125 MET 0.54 -0.07 1 126 LEU 0.37 0.00 1 127 VAL -2.54 -0.12 1 129 ARG 0.46 -0.18 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16868_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.87 _LACS_plot.Line_1_terminator_val_y_1 -2.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.90 _LACS_plot.Line_2_terminator_val_x_2 7.53 _LACS_plot.Line_2_terminator_val_y_2 3.26 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 91 ASP -1.22 -3.41 0 73 LYS -0.75 -3.31 0 58 THR 0.60 -2.86 0 61 ARG -7.00 -0.51 0 94 GLU -7.41 -0.66 0 10 GLU 2.93 1.49 1 11 ALA 3.48 3.01 1 12 VAL 4.89 2.00 1 13 SER 4.43 2.24 1 14 ASN 2.46 1.77 1 15 GLU 1.49 1.10 1 16 LYS -0.07 -1.13 1 17 ALA 1.69 -1.30 1 20 ARG 5.13 2.41 1 21 GLU 3.42 1.99 1 22 LYS 2.22 2.74 1 23 ILE 5.82 1.73 1 24 PHE 7.53 2.47 1 25 GLU 2.65 2.85 1 26 ALA 2.97 2.22 1 27 LEU 3.25 1.00 1 28 GLU 5.10 3.09 1 29 SER 3.92 2.61 1 30 ALA 3.49 3.29 1 31 LEU 2.82 2.57 1 32 ALA 5.29 1.69 1 33 THR 6.68 1.65 1 34 ALA 3.42 2.27 1 35 THR 6.43 1.55 1 36 LYS 5.04 2.50 1 37 LYS 2.69 1.10 1 38 LYS 1.75 -0.53 1 39 TYR -1.59 -0.85 1 40 GLU 1.16 0.79 1 41 GLN -2.10 -0.84 1 42 GLU 1.06 -1.02 1 43 ILE -4.37 -3.01 1 44 ASP -3.62 -0.79 1 45 VAL -7.07 -2.50 1 46 ARG -5.07 -3.01 1 47 VAL -2.54 -2.21 1 48 GLN -5.40 -0.42 1 49 ILE -2.11 -0.27 1 50 ASP -0.46 0.38 1 51 ARG 1.85 -0.16 1 52 LYS 0.90 1.08 1 53 SER -2.13 0.56 1 55 ASP 0.71 -1.07 1 56 PHE -7.07 -2.50 1 57 ASP -6.17 -2.59 1 59 PHE -3.64 -0.58 1 60 ARG -1.49 -1.87 1 62 TRP -3.89 -2.09 1 63 LEU -2.05 -1.72 1 64 VAL 3.22 0.55 1 65 VAL -6.19 -2.06 1 66 ASP 1.56 0.25 1 67 GLU -3.69 -2.20 1 68 VAL 1.08 0.61 1 69 THR 0.06 0.52 1 72 THR 2.53 1.94 1 74 GLU -7.87 -3.07 1 75 ILE -5.45 -3.64 1 76 THR -1.51 1.12 1 77 LEU 2.90 0.32 1 78 GLU 3.14 1.79 1 79 ALA 3.04 3.48 1 80 ALA 2.32 2.04 1 81 ARG 2.73 1.35 1 82 TYR 3.07 1.58 1 83 GLU 0.53 0.37 1 84 ASP -0.45 -0.61 1 85 GLU 2.17 -0.52 1 86 SER 0.52 0.18 1 87 LEU -0.37 -2.55 1 88 ASN -6.21 -0.69 1 89 LEU 2.29 1.02 1 92 TYR -3.02 1.01 1 93 VAL -1.34 -0.67 1 95 ASP -5.01 -1.43 1 96 GLN 3.11 -0.18 1 97 ILE -4.40 -2.28 1 98 GLU 0.42 0.17 1 99 SER -1.54 1.12 1 110 ALA 3.55 1.09 1 111 LYS 5.25 1.47 1 112 GLN 4.21 2.59 1 113 VAL 4.58 1.94 1 114 ILE 4.67 0.87 1 115 VAL 5.39 1.73 1 116 GLN 4.11 2.36 1 117 LYS 3.18 3.18 1 118 VAL 4.94 1.55 1 119 ARG 3.44 2.74 1 120 GLU 2.10 1.85 1 121 ALA 2.51 1.90 1 122 GLU 1.77 1.90 1 123 ARG 2.43 -0.84 1 124 ALA 1.09 0.44 1 125 MET 0.54 -0.01 1 126 LEU 0.37 -1.81 1 stop_ save_