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 bmr30100_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.35 _LACS_plot.Line_1_terminator_val_y_1 -0.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 3.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.24 _LACS_plot.Line_2_terminator_val_x_2 5.39 _LACS_plot.Line_2_terminator_val_y_2 6.85 _LACS_plot.Y_axis_chem_shift_offset -2.71 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 99 GLU -5.93 1.45 0 59 TYR -5.36 2.06 0 10 ILE 4.08 5.60 1 11 LEU 2.81 5.40 1 12 ARG 3.98 6.03 1 13 GLN -1.06 2.32 1 14 ALA -0.60 2.78 1 17 SER 3.40 4.60 1 18 GLU -1.92 1.77 1 19 TYR 2.99 3.78 1 20 GLU 4.67 6.41 1 21 ARG 4.73 6.16 1 22 ILE 4.44 6.66 1 23 ALA 3.98 5.79 1 24 PHE 3.59 5.56 1 25 GLN 3.82 5.57 1 26 TYR 1.04 3.51 1 28 VAL 0.95 2.92 1 29 THR 1.57 3.81 1 30 ASP -0.73 0.93 1 31 LEU 3.32 5.48 1 32 ARG 4.81 6.21 1 34 MET 3.84 6.25 1 35 LEU 3.97 5.48 1 36 LYS 3.91 5.96 1 37 ARG 2.70 5.30 1 38 LEU 2.08 4.75 1 39 LYS 2.95 4.83 1 41 MET 0.64 3.65 1 42 ARG 0.17 2.88 1 43 ARG 0.09 2.91 1 44 ASP -0.20 2.55 1 45 GLU -0.48 2.69 1 46 LYS 0.25 2.85 1 47 LYS 0.20 2.85 1 48 SER -1.16 2.13 1 49 THR 0.53 2.78 1 50 ALA -0.25 3.39 1 51 PHE -0.90 2.56 1 52 GLN 1.50 4.42 1 53 LYS -2.26 3.07 1 54 LYS -2.28 2.08 1 55 LEU -0.60 3.18 1 56 GLU 2.43 3.82 1 58 ALA -4.15 1.33 1 60 GLN -4.41 1.21 1 61 VAL -6.36 -0.31 1 62 SER 0.70 3.28 1 63 LYS 2.15 4.51 1 65 HIS -1.73 3.12 1 66 LYS -4.12 0.86 1 67 ILE -7.35 -1.11 1 68 ARG -2.58 1.45 1 69 LEU -0.49 1.83 1 70 THR -1.96 2.89 1 71 VAL -5.78 -0.24 1 72 GLU -4.60 0.98 1 73 LEU -1.46 1.83 1 74 ALA 2.03 4.42 1 75 ASP -1.60 0.70 1 76 HIS 3.14 5.99 1 77 ASP -0.84 2.25 1 78 ALA 0.10 3.26 1 79 GLU -3.18 1.10 1 80 VAL -5.36 -1.26 1 81 LYS -4.55 1.18 1 82 TRP -4.43 0.77 1 83 LEU -3.98 0.64 1 84 LYS -3.93 0.67 1 85 ASN 2.64 3.74 1 87 GLN -3.48 0.64 1 88 GLU 1.62 4.20 1 89 ILE 0.72 3.71 1 90 GLN -2.71 1.05 1 91 MET 1.96 4.21 1 92 SER -1.04 1.30 1 94 SER -0.34 2.01 1 95 LYS 2.18 4.70 1 96 TYR -5.59 -0.53 1 97 ILE -3.24 1.53 1 98 PHE -2.66 0.15 1 100 SER -2.26 1.06 1 101 ILE -2.20 1.80 1 103 ALA -0.16 2.94 1 104 LYS -0.42 3.16 1 105 ARG -2.17 0.23 1 106 THR -3.99 1.52 1 107 LEU -0.96 0.65 1 108 THR 0.41 2.37 1 109 ILE -0.28 2.19 1 110 SER -1.80 2.16 1 111 GLN 1.72 2.50 1 113 SER -5.19 0.67 1 114 LEU 5.39 6.42 1 115 ALA 2.17 4.12 1 116 ASP 0.46 3.51 1 117 ASP 1.27 4.37 1 118 ALA -3.43 1.76 1 119 ALA -3.04 0.92 1 120 TYR -4.34 1.36 1 121 GLN -4.43 1.37 1 123 VAL -2.65 1.54 1 124 VAL -2.46 0.85 1 127 GLU -4.02 1.40 1 128 LYS -5.56 0.98 1 130 SER -3.49 1.70 1 131 THR -0.16 1.53 1 132 GLU -4.42 1.17 1 133 LEU -4.88 1.17 1 134 PHE -3.29 0.63 1 135 VAL -0.57 1.45 1 136 LYS -2.58 1.13 1 137 GLU 1.36 4.98 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30100_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.35 _LACS_plot.Line_1_terminator_val_y_1 6.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 3.24 _LACS_plot.Line_2_terminator_val_x_2 5.39 _LACS_plot.Line_2_terminator_val_y_2 1.46 _LACS_plot.Y_axis_chem_shift_offset -2.71 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 99 GLU -5.93 7.38 0 59 TYR -5.36 7.42 0 10 ILE 4.08 1.52 1 11 LEU 2.81 2.59 1 12 ARG 3.98 2.05 1 13 GLN -1.06 3.38 1 14 ALA -0.60 3.38 1 17 SER 3.40 1.20 1 18 GLU -1.92 3.69 1 19 TYR 2.99 0.79 1 20 GLU 4.67 1.74 1 21 ARG 4.73 1.43 1 22 ILE 4.44 2.22 1 23 ALA 3.98 1.81 1 24 PHE 3.59 1.97 1 25 GLN 3.82 1.75 1 26 TYR 1.04 2.47 1 28 VAL 0.95 1.97 1 29 THR 1.57 2.24 1 30 ASP -0.73 1.66 1 31 LEU 3.32 2.16 1 32 ARG 4.81 1.40 1 34 MET 3.84 2.41 1 35 LEU 3.97 1.51 1 36 LYS 3.91 2.05 1 37 ARG 2.70 2.60 1 38 LEU 2.08 2.67 1 39 LYS 2.95 1.88 1 41 MET 0.64 3.01 1 42 ARG 0.17 2.71 1 43 ARG 0.09 2.82 1 44 ASP -0.20 2.75 1 45 GLU -0.48 3.17 1 46 LYS 0.25 2.60 1 47 LYS 0.20 2.65 1 48 SER -1.16 3.29 1 49 THR 0.53 2.25 1 50 ALA -0.25 3.64 1 51 PHE -0.90 3.46 1 52 GLN 1.50 2.92 1 53 LYS -2.26 5.33 1 54 LYS -2.28 4.36 1 55 LEU -0.60 3.78 1 56 GLU 2.43 1.39 1 58 ALA -4.15 5.48 1 60 GLN -4.41 5.62 1 61 VAL -6.36 6.05 1 62 SER 0.70 2.58 1 63 LYS 2.15 2.36 1 65 HIS -1.73 4.85 1 66 LYS -4.12 4.98 1 67 ILE -7.35 6.24 1 68 ARG -2.58 4.03 1 69 LEU -0.49 2.32 1 70 THR -1.96 4.85 1 71 VAL -5.78 5.54 1 72 GLU -4.60 5.58 1 73 LEU -1.46 3.29 1 74 ALA 2.03 2.39 1 75 ASP -1.60 2.30 1 76 HIS 3.14 2.85 1 77 ASP -0.84 3.09 1 78 ALA 0.10 3.16 1 79 GLU -3.18 4.28 1 80 VAL -5.36 4.10 1 81 LYS -4.55 5.73 1 82 TRP -4.43 5.20 1 83 LEU -3.98 4.62 1 84 LYS -3.93 4.60 1 85 ASN 2.64 1.10 1 87 GLN -3.48 4.12 1 88 GLU 1.62 2.58 1 89 ILE 0.72 2.99 1 90 GLN -2.71 3.76 1 91 MET 1.96 2.25 1 92 SER -1.04 2.34 1 94 SER -0.34 2.35 1 95 LYS 2.18 2.52 1 96 TYR -5.59 5.06 1 97 ILE -3.24 4.77 1 98 PHE -2.66 2.81 1 100 SER -2.26 3.32 1 101 ILE -2.20 4.00 1 103 ALA -0.16 3.10 1 104 LYS -0.42 3.58 1 105 ARG -2.17 2.40 1 106 THR -3.99 5.51 1 107 LEU -0.96 1.61 1 108 THR 0.41 1.96 1 109 ILE -0.28 2.47 1 110 SER -1.80 3.96 1 111 GLN 1.72 0.78 1 113 SER -5.19 5.86 1 114 LEU 5.39 1.03 1 115 ALA 2.17 1.95 1 116 ASP 0.46 3.05 1 117 ASP 1.27 3.10 1 118 ALA -3.43 5.19 1 119 ALA -3.04 3.96 1 120 TYR -4.34 5.70 1 121 GLN -4.43 5.80 1 123 VAL -2.65 4.19 1 124 VAL -2.46 3.31 1 127 GLU -4.02 5.42 1 128 LYS -5.56 6.54 1 130 SER -3.49 5.19 1 131 THR -0.16 1.69 1 132 GLU -4.42 5.59 1 133 LEU -4.88 6.05 1 134 PHE -3.29 3.92 1 135 VAL -0.57 2.02 1 136 LYS -2.58 3.71 1 137 GLU 1.36 3.62 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30100_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.35 _LACS_plot.Line_1_terminator_val_y_1 0.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 5.39 _LACS_plot.Line_2_terminator_val_y_2 -0.55 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 67 ILE -7.35 0.54 0 111 GLN 1.72 -0.95 0 106 THR -3.99 1.41 0 128 LYS -5.56 1.55 0 60 GLN -4.41 1.49 0 70 THR -1.96 1.27 0 10 ILE 4.08 -0.50 1 11 LEU 2.81 -0.43 1 12 ARG 3.98 -0.43 1 13 GLN -1.06 0.09 1 14 ALA -0.60 0.03 1 17 SER 3.40 -0.34 1 18 GLU -1.92 0.23 1 19 TYR 2.99 -0.31 1 20 GLU 4.67 -0.42 1 21 ARG 4.73 -0.16 1 22 ILE 4.44 -0.34 1 23 ALA 3.98 -0.44 1 24 PHE 3.59 -0.24 1 25 GLN 3.82 -0.51 1 26 TYR 1.04 -0.14 1 28 VAL 0.95 -0.09 1 29 THR 1.57 -0.04 1 30 ASP -0.73 0.26 1 31 LEU 3.32 -0.43 1 32 ARG 4.81 -0.42 1 34 MET 3.84 -0.28 1 35 LEU 3.97 -0.36 1 36 LYS 3.91 -0.28 1 37 ARG 2.70 -0.24 1 38 LEU 2.08 -0.08 1 39 LYS 2.95 -0.18 1 41 MET 0.64 -0.10 1 42 ARG 0.17 0.03 1 43 ARG 0.09 0.02 1 44 ASP -0.20 0.01 1 45 GLU -0.48 -0.03 1 46 LYS 0.25 0.00 1 47 LYS 0.20 0.01 1 48 SER -1.16 0.22 1 49 THR 0.53 0.18 1 50 ALA -0.25 -0.18 1 51 PHE -0.90 0.12 1 52 GLN 1.50 0.00 1 53 LYS -2.26 0.26 1 54 LYS -2.28 -0.24 1 55 LEU -0.60 0.07 1 56 GLU 2.43 -0.21 1 58 ALA -4.15 0.95 1 59 TYR -5.36 0.18 1 61 VAL -6.36 0.47 1 62 SER 0.70 0.33 1 63 LYS 2.15 -0.57 1 65 HIS -1.73 0.06 1 66 LYS -4.12 1.13 1 68 ARG -2.58 0.37 1 69 LEU -0.49 -0.27 1 71 VAL -5.78 0.56 1 72 GLU -4.60 0.82 1 73 LEU -1.46 0.30 1 74 ALA 2.03 -0.18 1 75 ASP -1.60 0.09 1 76 HIS 3.14 -0.71 1 77 ASP -0.84 0.13 1 78 ALA 0.10 -0.20 1 79 GLU -3.18 0.19 1 80 VAL -5.36 0.85 1 81 LYS -4.55 0.29 1 82 TRP -4.43 0.86 1 83 LEU -3.98 0.76 1 84 LYS -3.93 0.20 1 85 ASN 2.64 -0.26 1 87 GLN -3.48 0.35 1 88 GLU 1.62 -0.09 1 89 ILE 0.72 -0.23 1 90 GLN -2.71 0.29 1 91 MET 1.96 -0.17 1 92 SER -1.04 0.14 1 94 SER -0.34 0.04 1 95 LYS 2.18 -0.54 1 96 TYR -5.59 0.76 1 97 ILE -3.24 0.04 1 98 PHE -2.66 0.76 1 99 GLU -5.93 0.48 1 100 SER -2.26 0.80 1 101 ILE -2.20 0.25 1 103 ALA -0.16 -0.09 1 104 LYS -0.42 0.76 1 105 ARG -2.17 1.04 1 107 LEU -0.96 0.06 1 108 THR 0.41 0.72 1 109 ILE -0.28 0.42 1 110 SER -1.80 0.03 1 113 SER -5.19 0.31 1 114 LEU 5.39 -0.28 1 115 ALA 2.17 -0.07 1 116 ASP 0.46 -0.11 1 117 ASP 1.27 0.06 1 118 ALA -3.43 0.25 1 119 ALA -3.04 1.07 1 120 TYR -4.34 0.87 1 121 GLN -4.43 1.16 1 123 VAL -2.65 0.83 1 124 VAL -2.46 0.23 1 127 GLU -4.02 0.33 1 130 SER -3.49 1.20 1 131 THR -0.16 0.47 1 132 GLU -4.42 0.61 1 133 LEU -4.88 0.75 1 134 PHE -3.29 0.59 1 135 VAL -0.57 0.63 1 136 LYS -2.58 0.19 1 137 GLU 1.36 -0.27 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr30100_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.35 _LACS_plot.Line_1_terminator_val_y_1 -0.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 3.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.90 _LACS_plot.Line_2_terminator_val_x_2 5.39 _LACS_plot.Line_2_terminator_val_y_2 4.62 _LACS_plot.Y_axis_chem_shift_offset -2.63 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 67 ILE -7.35 -2.89 0 114 LEU 5.39 1.27 0 10 ILE 4.08 5.77 1 11 LEU 2.81 3.70 1 12 ARG 3.98 3.89 1 13 GLN -1.06 2.25 1 17 SER 3.40 4.03 1 18 GLU -1.92 2.82 1 19 TYR 2.99 4.23 1 20 GLU 4.67 4.90 1 21 ARG 4.73 5.64 1 22 ILE 4.44 4.04 1 23 ALA 3.98 4.60 1 24 PHE 3.59 5.88 1 25 GLN 3.82 4.19 1 26 TYR 1.04 2.38 1 28 VAL 0.95 2.56 1 29 THR 1.57 2.87 1 30 ASP -0.73 2.12 1 31 LEU 3.32 3.40 1 32 ARG 4.81 5.94 1 34 MET 3.84 4.46 1 35 LEU 3.97 4.72 1 36 LYS 3.91 5.23 1 37 ARG 2.70 5.05 1 38 LEU 2.08 4.04 1 39 LYS 2.95 4.15 1 41 MET 0.64 2.47 1 42 ARG 0.17 2.61 1 43 ARG 0.09 2.26 1 44 ASP -0.20 2.51 1 45 GLU -0.48 2.55 1 46 LYS 0.25 2.62 1 47 LYS 0.20 2.53 1 48 SER -1.16 2.97 1 49 THR 0.53 2.30 1 50 ALA -0.25 3.42 1 51 PHE -0.90 2.33 1 52 GLN 1.50 3.19 1 53 LYS -2.26 1.78 1 54 LYS -2.28 2.13 1 55 LEU -0.60 3.75 1 58 ALA -4.15 0.27 1 59 TYR -5.36 0.94 1 60 GLN -4.41 0.43 1 61 VAL -6.36 -1.34 1 62 SER 0.70 2.30 1 63 LYS 2.15 3.72 1 66 LYS -4.12 1.25 1 68 ARG -2.58 0.79 1 69 LEU -0.49 -0.20 1 70 THR -1.96 1.96 1 71 VAL -5.78 0.84 1 72 GLU -4.60 2.60 1 73 LEU -1.46 1.41 1 74 ALA 2.03 2.26 1 75 ASP -1.60 2.52 1 77 ASP -0.84 2.77 1 78 ALA 0.10 1.55 1 79 GLU -3.18 2.10 1 80 VAL -5.36 1.65 1 81 LYS -4.55 0.03 1 82 TRP -4.43 1.99 1 83 LEU -3.98 0.56 1 84 LYS -3.93 3.08 1 85 ASN 2.64 3.21 1 87 GLN -3.48 1.93 1 88 GLU 1.62 2.75 1 89 ILE 0.72 1.67 1 90 GLN -2.71 2.27 1 91 MET 1.96 2.90 1 92 SER -1.04 2.50 1 94 SER -0.34 2.19 1 95 LYS 2.18 0.61 1 96 TYR -5.59 2.08 1 97 ILE -3.24 1.23 1 98 PHE -2.66 2.64 1 99 GLU -5.93 1.53 1 100 SER -2.26 1.27 1 101 ILE -2.20 2.33 1 103 ALA -0.16 1.39 1 104 LYS -0.42 4.41 1 105 ARG -2.17 1.39 1 106 THR -3.99 0.74 1 107 LEU -0.96 -0.39 1 108 THR 0.41 1.95 1 109 ILE -0.28 1.56 1 110 SER -1.80 0.52 1 111 GLN 1.72 2.68 1 113 SER -5.19 3.13 1 115 ALA 2.17 3.38 1 116 ASP 0.46 2.19 1 117 ASP 1.27 0.89 1 118 ALA -3.43 -0.83 1 119 ALA -3.04 2.07 1 120 TYR -4.34 1.79 1 121 GLN -4.43 0.57 1 123 VAL -2.65 2.20 1 124 VAL -2.46 2.03 1 127 GLU -4.02 0.18 1 128 LYS -5.56 2.40 1 130 SER -3.49 0.57 1 131 THR -0.16 0.41 1 132 GLU -4.42 -0.68 1 133 LEU -4.88 -0.51 1 134 PHE -3.29 1.88 1 135 VAL -0.57 1.68 1 136 LYS -2.58 1.36 1 stop_ save_