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 bmr26778_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.97 _LACS_plot.Line_1_terminator_val_y_1 -2.56 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.33 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 4.85 _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 19 VAL -0.17 -1.68 0 64 ASP -3.55 -3.53 0 42 GLU -4.95 -0.96 0 114 MET -4.71 -0.57 0 71 ASP -0.71 -2.22 0 10 HIS 0.16 0.61 1 12 SER -0.11 0.14 1 13 SER -0.32 0.07 1 14 ARG -1.88 -0.46 1 15 THR -0.41 0.36 1 16 VAL -4.18 -2.24 1 17 LEU -4.58 -2.24 1 18 ALA -3.20 -2.55 1 20 ASP -1.53 0.13 1 21 ASP 1.83 0.73 1 22 SER -1.98 -2.28 1 24 SER 4.37 2.62 1 25 VAL 4.83 3.87 1 26 ARG 4.93 4.94 1 27 SER 4.20 3.14 1 28 MET 4.58 3.94 1 29 VAL 5.43 4.32 1 30 ALA 4.07 3.27 1 31 MET 4.30 3.63 1 32 THR 6.50 5.26 1 33 LEU 4.15 2.66 1 34 ARG 5.00 3.94 1 35 GLU 3.66 2.21 1 36 ALA -1.20 -0.71 1 38 TYR 0.48 0.34 1 39 ARG -0.13 -0.27 1 40 VAL -3.41 -1.63 1 41 ILE -3.12 -1.41 1 43 ALA -5.97 -1.99 1 44 THR 0.46 0.45 1 45 ASP -2.80 -1.53 1 47 ARG 5.01 3.53 1 48 GLU 2.02 2.01 1 50 LEU 3.83 3.28 1 51 GLU 3.85 2.78 1 52 LYS 3.18 3.27 1 53 ALA 2.78 2.01 1 54 LEU 0.43 -0.02 1 55 SER -0.20 1.17 1 56 GLU -1.74 -0.68 1 58 VAL -2.76 -1.17 1 59 ASP -0.86 1.68 1 60 ALA -4.85 -1.19 1 61 ILE -4.82 -1.23 1 62 ILE -3.97 -1.61 1 63 THR -3.77 -2.46 1 65 GLN -0.13 0.57 1 66 ASN -0.24 -0.33 1 67 MET 2.70 1.26 1 69 ASN 3.25 3.42 1 70 LEU -1.48 -0.94 1 73 LEU 4.22 3.18 1 75 PHE 3.70 2.27 1 76 ILE 6.51 5.12 1 77 ARG 4.45 3.95 1 78 ALA 2.77 2.37 1 79 PHE 3.22 2.70 1 80 ARG 2.87 1.20 1 81 GLU 1.04 0.51 1 82 HIS 0.90 -0.14 1 84 GLU 4.23 3.26 1 85 SER 0.89 0.91 1 86 LYS 3.47 2.33 1 88 LYS -0.85 -1.43 1 90 ILE -4.54 -1.50 1 91 ILE -2.45 -1.50 1 92 PHE -4.88 -1.25 1 93 LEU -3.66 -2.52 1 94 SER -4.09 -1.73 1 95 THR 1.43 1.30 1 96 ASP -1.47 -0.14 1 97 SER -0.58 -0.14 1 98 ALA 0.82 0.82 1 99 ASP 3.41 2.91 1 100 THR 4.53 3.17 1 101 LEU 2.96 2.12 1 102 LYS 4.42 3.45 1 103 GLN 4.50 2.80 1 104 GLN 3.73 3.32 1 105 ALA 4.67 2.72 1 106 ARG 4.18 3.06 1 107 GLU 3.40 2.33 1 108 ALA 1.04 0.78 1 110 ALA -0.07 0.03 1 111 MET -0.99 0.29 1 113 TRP -3.70 -1.27 1 115 VAL -1.71 -1.55 1 116 LYS -0.42 0.00 1 118 PHE -5.85 -3.45 1 119 THR -4.00 -2.32 1 120 GLN 3.85 3.18 1 122 GLN 3.90 2.49 1 123 LEU 3.77 2.62 1 124 LEU 3.60 2.59 1 125 ALA 5.17 3.98 1 126 VAL 4.05 1.69 1 127 ILE 3.79 2.75 1 128 LYS 3.11 2.73 1 129 LYS 2.38 1.49 1 130 VAL -0.21 0.34 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26778_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.97 _LACS_plot.Line_1_terminator_val_y_1 3.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.67 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 -1.66 _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 19 VAL -0.17 -1.51 0 64 ASP -3.55 0.02 0 42 GLU -4.95 3.99 0 114 MET -4.71 4.14 0 71 ASP -0.71 -1.51 0 10 HIS 0.16 0.45 1 12 SER -0.11 0.25 1 13 SER -0.32 0.39 1 14 ARG -1.88 1.42 1 15 THR -0.41 0.77 1 16 VAL -4.18 1.94 1 17 LEU -4.58 2.34 1 18 ALA -3.20 0.65 1 20 ASP -1.53 1.66 1 21 ASP 1.83 -1.10 1 22 SER -1.98 -0.30 1 24 SER 4.37 -1.75 1 25 VAL 4.83 -0.96 1 26 ARG 4.93 0.01 1 27 SER 4.20 -1.06 1 28 MET 4.58 -0.64 1 29 VAL 5.43 -1.11 1 30 ALA 4.07 -0.80 1 31 MET 4.30 -0.67 1 32 THR 6.50 -1.24 1 33 LEU 4.15 -1.49 1 34 ARG 5.00 -1.06 1 35 GLU 3.66 -1.45 1 36 ALA -1.20 0.49 1 38 TYR 0.48 -0.14 1 39 ARG -0.13 -0.14 1 40 VAL -3.41 1.78 1 41 ILE -3.12 1.71 1 43 ALA -5.97 3.98 1 44 THR 0.46 -0.01 1 45 ASP -2.80 1.27 1 47 ARG 5.01 -1.48 1 48 GLU 2.02 -0.01 1 50 LEU 3.83 -0.55 1 51 GLU 3.85 -1.07 1 52 LYS 3.18 0.09 1 53 ALA 2.78 -0.77 1 54 LEU 0.43 -0.45 1 55 SER -0.20 1.37 1 56 GLU -1.74 1.06 1 58 VAL -2.76 1.59 1 59 ASP -0.86 2.54 1 60 ALA -4.85 3.66 1 61 ILE -4.82 3.59 1 62 ILE -3.97 2.36 1 63 THR -3.77 1.31 1 65 GLN -0.13 0.70 1 66 ASN -0.24 -0.09 1 67 MET 2.70 -1.44 1 69 ASN 3.25 0.17 1 70 LEU -1.48 0.54 1 73 LEU 4.22 -1.04 1 75 PHE 3.70 -1.43 1 76 ILE 6.51 -1.39 1 77 ARG 4.45 -0.50 1 78 ALA 2.77 -0.40 1 79 PHE 3.22 -0.52 1 80 ARG 2.87 -1.67 1 81 GLU 1.04 -0.53 1 82 HIS 0.90 -1.04 1 84 GLU 4.23 -0.97 1 85 SER 0.89 0.02 1 86 LYS 3.47 -1.14 1 88 LYS -0.85 -0.58 1 90 ILE -4.54 3.04 1 91 ILE -2.45 0.95 1 92 PHE -4.88 3.63 1 93 LEU -3.66 1.14 1 94 SER -4.09 2.36 1 95 THR 1.43 -0.13 1 96 ASP -1.47 1.33 1 97 SER -0.58 0.44 1 98 ALA 0.82 0.00 1 99 ASP 3.41 -0.50 1 100 THR 4.53 -1.36 1 101 LEU 2.96 -0.84 1 102 LYS 4.42 -0.97 1 103 GLN 4.50 -1.70 1 104 GLN 3.73 -0.41 1 105 ALA 4.67 -1.95 1 106 ARG 4.18 -1.12 1 107 GLU 3.40 -1.07 1 108 ALA 1.04 -0.26 1 110 ALA -0.07 0.10 1 111 MET -0.99 1.28 1 113 TRP -3.70 2.43 1 115 VAL -1.71 0.16 1 116 LYS -0.42 0.42 1 118 PHE -5.85 2.40 1 119 THR -4.00 1.68 1 120 GLN 3.85 -0.67 1 122 GLN 3.90 -1.41 1 123 LEU 3.77 -1.15 1 124 LEU 3.60 -1.01 1 125 ALA 5.17 -1.19 1 126 VAL 4.05 -2.36 1 127 ILE 3.79 -1.04 1 128 LYS 3.11 -0.38 1 129 LYS 2.38 -0.89 1 130 VAL -0.21 0.55 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26778_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.97 _LACS_plot.Line_1_terminator_val_y_1 0.74 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.32 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 -0.60 _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 34 ARG 5.00 0.41 0 102 LYS 4.42 -1.34 0 12 SER -0.11 0.05 1 13 SER -0.32 0.06 1 14 ARG -1.88 0.32 1 15 THR -0.41 0.94 1 16 VAL -4.18 0.54 1 17 LEU -4.58 0.76 1 18 ALA -3.20 0.78 1 19 VAL -0.17 0.21 1 20 ASP -1.53 -0.37 1 21 ASP 1.83 -0.01 1 24 SER 4.37 -0.27 1 25 VAL 4.83 -0.43 1 26 ARG 4.93 -0.80 1 27 SER 4.20 -0.23 1 28 MET 4.58 -0.24 1 29 VAL 5.43 -0.69 1 30 ALA 4.07 -0.40 1 31 MET 4.30 -0.33 1 32 THR 6.50 -0.47 1 33 LEU 4.15 -0.21 1 35 GLU 3.66 -0.22 1 36 ALA -1.20 0.17 1 38 TYR 0.48 0.05 1 39 ARG -0.13 0.23 1 40 VAL -3.41 1.18 1 41 ILE -3.12 0.26 1 42 GLU -4.95 0.73 1 43 ALA -5.97 0.43 1 44 THR 0.46 0.07 1 45 ASP -2.80 -0.22 1 47 ARG 5.01 -0.18 1 48 GLU 2.02 -0.28 1 50 LEU 3.83 -0.27 1 51 GLU 3.85 -0.41 1 52 LYS 3.18 -0.30 1 53 ALA 2.78 -0.50 1 54 LEU 0.43 0.06 1 55 SER -0.20 0.12 1 56 GLU -1.74 0.27 1 58 VAL -2.76 -0.05 1 59 ASP -0.86 0.33 1 60 ALA -4.85 0.50 1 61 ILE -4.82 0.87 1 62 ILE -3.97 0.89 1 63 THR -3.77 1.09 1 64 ASP -3.55 0.41 1 65 GLN -0.13 0.21 1 66 ASN -0.24 0.29 1 67 MET 2.70 -0.46 1 69 ASN 3.25 -0.20 1 70 LEU -1.48 0.22 1 71 ASP -0.71 0.38 1 73 LEU 4.22 -0.29 1 75 PHE 3.70 0.05 1 76 ILE 6.51 -1.04 1 77 ARG 4.45 -0.38 1 78 ALA 2.77 -0.12 1 79 PHE 3.22 -0.40 1 80 ARG 2.87 -0.08 1 81 GLU 1.04 -0.19 1 82 HIS 0.90 -0.18 1 84 GLU 4.23 -0.24 1 85 SER 0.89 -0.68 1 86 LYS 3.47 -0.30 1 88 LYS -0.85 0.31 1 90 ILE -4.54 1.00 1 91 ILE -2.45 0.14 1 92 PHE -4.88 0.42 1 93 LEU -3.66 0.56 1 94 SER -4.09 0.23 1 95 THR 1.43 0.21 1 96 ASP -1.47 0.19 1 97 SER -0.58 0.13 1 98 ALA 0.82 -0.06 1 99 ASP 3.41 -0.34 1 100 THR 4.53 -0.34 1 101 LEU 2.96 -0.10 1 103 GLN 4.50 -0.41 1 104 GLN 3.73 -0.38 1 105 ALA 4.67 -0.68 1 106 ARG 4.18 -0.08 1 107 GLU 3.40 -0.39 1 108 ALA 1.04 -0.15 1 110 ALA -0.07 0.19 1 111 MET -0.99 0.19 1 113 TRP -3.70 1.06 1 114 MET -4.71 -0.09 1 115 VAL -1.71 0.39 1 116 LYS -0.42 -0.19 1 118 PHE -5.85 0.81 1 119 THR -4.00 0.32 1 120 GLN 3.85 -0.24 1 122 GLN 3.90 -0.38 1 123 LEU 3.77 -0.49 1 124 LEU 3.60 -0.18 1 125 ALA 5.17 -0.29 1 126 VAL 4.05 -0.50 1 127 ILE 3.79 -0.31 1 128 LYS 3.11 -0.21 1 129 LYS 2.38 0.05 1 130 VAL -0.21 0.20 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26778_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.97 _LACS_plot.Line_1_terminator_val_y_1 -3.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.67 _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 6.51 _LACS_plot.Line_2_terminator_val_y_2 2.79 _LACS_plot.Y_axis_chem_shift_offset 0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 70 LEU -1.48 -4.34 0 119 THR -4.00 0.85 0 34 ARG 5.00 5.57 0 10 HIS 0.16 0.55 1 12 SER -0.11 -0.03 1 13 SER -0.32 -0.28 1 14 ARG -1.88 -0.85 1 15 THR -0.41 -0.55 1 16 VAL -4.18 -2.74 1 17 LEU -4.58 -4.49 1 18 ALA -3.20 -3.66 1 19 VAL -0.17 -1.69 1 20 ASP -1.53 -2.59 1 21 ASP 1.83 0.21 1 22 SER -1.98 0.90 1 24 SER 4.37 2.81 1 25 VAL 4.83 1.55 1 26 ARG 4.93 1.69 1 27 SER 4.20 1.93 1 28 MET 4.58 3.39 1 29 VAL 5.43 0.65 1 30 ALA 4.07 1.52 1 31 MET 4.30 2.51 1 32 THR 6.50 2.04 1 33 LEU 4.15 1.68 1 35 GLU 3.66 0.60 1 36 ALA -1.20 -1.08 1 38 TYR 0.48 0.08 1 39 ARG -0.13 -0.83 1 40 VAL -3.41 -0.36 1 41 ILE -3.12 -2.11 1 42 GLU -4.95 -1.91 1 43 ALA -5.97 -1.56 1 44 THR 0.46 -1.73 1 45 ASP -2.80 -0.75 1 47 ARG 5.01 2.66 1 48 GLU 2.02 2.51 1 50 LEU 3.83 -0.41 1 51 GLU 3.85 4.26 1 52 LYS 3.18 1.06 1 53 ALA 2.78 -0.12 1 54 LEU 0.43 0.58 1 55 SER -0.20 -0.75 1 56 GLU -1.74 -1.34 1 58 VAL -2.76 -1.95 1 59 ASP -0.86 -0.99 1 60 ALA -4.85 -3.34 1 61 ILE -4.82 -2.74 1 62 ILE -3.97 -2.01 1 63 THR -3.77 -4.79 1 64 ASP -3.55 -3.75 1 65 GLN -0.13 -2.34 1 66 ASN -0.24 -0.70 1 69 ASN 3.25 -0.13 1 71 ASP -0.71 1.16 1 73 LEU 4.22 1.70 1 75 PHE 3.70 0.04 1 76 ILE 6.51 1.26 1 77 ARG 4.45 2.73 1 78 ALA 2.77 3.52 1 79 PHE 3.22 1.94 1 80 ARG 2.87 0.41 1 81 GLU 1.04 0.24 1 82 HIS 0.90 1.61 1 84 GLU 4.23 -0.13 1 85 SER 0.89 1.38 1 86 LYS 3.47 1.32 1 88 LYS -0.85 -0.90 1 90 ILE -4.54 -1.07 1 91 ILE -2.45 -3.87 1 92 PHE -4.88 -3.25 1 93 LEU -3.66 -3.49 1 94 SER -4.09 0.42 1 95 THR 1.43 -0.16 1 96 ASP -1.47 -0.65 1 97 SER -0.58 -0.12 1 98 ALA 0.82 0.42 1 99 ASP 3.41 2.00 1 100 THR 4.53 1.64 1 101 LEU 2.96 0.15 1 102 LYS 4.42 2.29 1 103 GLN 4.50 2.38 1 104 GLN 3.73 3.13 1 105 ALA 4.67 1.24 1 106 ARG 4.18 4.29 1 107 GLU 3.40 1.35 1 108 ALA 1.04 -0.95 1 110 ALA -0.07 -1.43 1 111 MET -0.99 0.19 1 113 TRP -3.70 -2.06 1 114 MET -4.71 -3.58 1 115 VAL -1.71 -0.89 1 116 LYS -0.42 -0.14 1 118 PHE -5.85 -1.10 1 120 GLN 3.85 2.65 1 122 GLN 3.90 0.18 1 123 LEU 3.77 1.20 1 124 LEU 3.60 3.04 1 125 ALA 5.17 1.27 1 126 VAL 4.05 0.97 1 127 ILE 3.79 2.28 1 128 LYS 3.11 2.00 1 129 LYS 2.38 0.10 1 130 VAL -0.21 -0.59 1 stop_ save_