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 bmr25802_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.12 _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 0.95 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.07 _LACS_plot.Line_2_terminator_val_x_2 6.71 _LACS_plot.Line_2_terminator_val_y_2 5.03 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 MET -8.12 -1.64 0 51 ASN 3.38 5.54 0 93 LYS -1.03 -3.28 0 10 GLN -1.42 -0.13 1 11 PHE -0.29 1.10 1 12 GLN 5.98 2.15 1 13 ASP 0.70 0.29 1 14 SER -3.02 0.42 1 16 TYR -4.52 -0.67 1 17 ILE -3.24 -1.11 1 18 PHE -2.45 -3.01 1 19 LEU -1.25 -1.53 1 20 GLN -0.68 -0.32 1 21 GLU -1.99 -0.77 1 22 ALA 0.23 -0.56 1 23 ILE -3.67 -1.20 1 24 LYS 0.67 0.03 1 25 VAL -3.34 -1.41 1 26 GLU -1.93 -0.13 1 27 SER -4.01 -1.28 1 28 ILE 3.09 2.17 1 29 GLU 4.61 3.62 1 30 ASP 2.64 3.22 1 31 VAL 4.94 3.68 1 32 ARG 6.16 4.66 1 33 ASN 2.41 1.68 1 34 GLN 3.70 3.27 1 36 THR 6.05 4.41 1 37 ASP 3.42 2.80 1 38 HIS 0.71 1.14 1 40 ALA -6.67 -2.59 1 41 ASP -5.42 -2.26 1 42 MET -2.02 2.26 1 43 ILE 0.33 1.38 1 44 SER -3.93 -3.03 1 45 ILE -3.29 -0.57 1 46 HIS -0.29 2.04 1 47 ASN -1.81 -0.82 1 48 GLU 2.39 1.97 1 49 GLU 5.37 4.12 1 50 GLU 2.68 2.99 1 52 ALA 3.40 2.73 1 53 PHE 3.79 2.72 1 54 ILE 5.11 2.94 1 55 LEU 3.52 3.50 1 56 ASP 2.79 3.35 1 57 THR 6.71 4.88 1 58 LEU 3.42 2.74 1 59 LYS 2.69 2.50 1 60 LYS 0.87 1.66 1 61 GLN 1.21 1.76 1 62 TRP -1.73 -1.25 1 63 LYS 1.67 -0.18 1 66 ASP 1.12 1.83 1 67 ASP -3.79 -0.65 1 68 ILE -5.24 -2.65 1 69 LEU -0.35 1.02 1 70 LEU -4.42 -2.30 1 73 PHE -5.39 -2.73 1 74 TYR -0.38 0.04 1 75 ASP -2.99 -1.84 1 76 THR 3.69 2.63 1 77 ASP 3.63 3.14 1 78 ASP -0.87 -0.74 1 79 ALA 2.55 0.00 1 80 SER -3.92 -1.28 1 81 PHE -0.41 1.33 1 82 LYS -5.80 -2.07 1 83 TRP -3.81 -1.74 1 84 PHE 4.82 4.48 1 85 ASP 1.65 0.04 1 86 ASN 3.14 2.10 1 87 SER 0.32 0.37 1 88 ASN 0.28 0.88 1 89 MET 1.00 -1.39 1 90 THR 0.46 0.39 1 91 PHE -4.27 -0.29 1 92 ASP -5.28 -1.79 1 94 TRP -0.55 0.07 1 95 THR -0.69 -0.26 1 96 ASP 0.79 0.52 1 97 GLN -1.38 -0.11 1 98 ASP -0.07 0.26 1 99 ASP -0.16 0.17 1 100 ASP -0.13 0.05 1 101 GLU -0.60 0.09 1 102 ASP 0.22 -0.02 1 103 LEU 0.17 -0.15 1 104 VAL 2.47 1.79 1 105 ASP 0.28 0.06 1 106 THR 1.31 1.43 1 108 ALA -7.30 -2.01 1 109 PHE -5.13 -1.75 1 110 LEU -2.50 -0.79 1 111 HIS -0.78 -0.14 1 112 ILE 5.01 3.39 1 113 LYS 3.17 2.90 1 114 THR -2.59 -0.95 1 116 GLU -3.54 -1.19 1 117 TRP -5.79 -4.73 1 118 LYS -4.99 -1.70 1 119 LYS -1.30 -0.35 1 121 ASN 0.46 0.90 1 123 GLU 0.88 -0.36 1 124 VAL 0.03 -0.11 1 125 SER 2.37 2.10 1 126 SER -0.71 -0.24 1 127 VAL -1.13 -0.17 1 128 GLU -0.64 0.06 1 130 THR -2.22 0.10 1 131 LEU -3.65 -1.33 1 133 LYS -6.90 -1.32 1 134 THR -2.36 -1.19 1 135 ALA -1.33 -0.36 1 136 ILE 1.19 1.10 1 138 TYR -0.08 -0.09 1 139 LYS -0.13 -0.15 1 140 ARG 0.84 1.50 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25802_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.12 _LACS_plot.Line_1_terminator_val_y_1 5.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.93 _LACS_plot.Line_2_terminator_val_x_2 6.71 _LACS_plot.Line_2_terminator_val_y_2 -1.68 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 MET -8.12 6.48 0 51 ASN 3.38 2.16 0 93 LYS -1.03 -2.25 0 10 GLN -1.42 1.29 1 11 PHE -0.29 1.39 1 12 GLN 5.98 -3.83 1 13 ASP 0.70 -0.41 1 14 SER -3.02 3.44 1 16 TYR -4.52 3.85 1 17 ILE -3.24 2.13 1 18 PHE -2.45 -0.56 1 19 LEU -1.25 -0.28 1 20 GLN -0.68 0.36 1 21 GLU -1.99 1.22 1 22 ALA 0.23 -0.79 1 23 ILE -3.67 2.47 1 24 LYS 0.67 -0.64 1 25 VAL -3.34 1.93 1 26 GLU -1.93 1.80 1 27 SER -4.01 2.73 1 28 ILE 3.09 -0.92 1 29 GLU 4.61 -0.99 1 30 ASP 2.64 0.58 1 31 VAL 4.94 -1.26 1 32 ARG 6.16 -1.50 1 33 ASN 2.41 -0.73 1 34 GLN 3.70 -0.43 1 36 THR 6.05 -1.64 1 37 ASP 3.42 -0.62 1 38 HIS 0.71 0.43 1 40 ALA -6.67 4.08 1 41 ASP -5.42 3.16 1 42 MET -2.02 4.28 1 43 ILE 0.33 1.05 1 44 SER -3.93 0.90 1 45 ILE -3.29 2.72 1 46 HIS -0.29 2.33 1 47 ASN -1.81 0.99 1 48 GLU 2.39 -0.42 1 49 GLU 5.37 -1.25 1 50 GLU 2.68 0.31 1 52 ALA 3.40 -0.67 1 53 PHE 3.79 -1.07 1 54 ILE 5.11 -2.17 1 55 LEU 3.52 -0.02 1 56 ASP 2.79 0.56 1 57 THR 6.71 -1.83 1 58 LEU 3.42 -0.68 1 59 LYS 2.69 -0.19 1 60 LYS 0.87 0.79 1 61 GLN 1.21 0.55 1 62 TRP -1.73 0.48 1 63 LYS 1.67 -1.85 1 66 ASP 1.12 0.71 1 67 ASP -3.79 3.14 1 68 ILE -5.24 2.59 1 69 LEU -0.35 1.37 1 70 LEU -4.42 2.12 1 73 PHE -5.39 2.66 1 74 TYR -0.38 0.42 1 75 ASP -2.99 1.15 1 76 THR 3.69 -1.06 1 77 ASP 3.63 -0.49 1 78 ASP -0.87 0.13 1 79 ALA 2.55 -2.55 1 80 SER -3.92 2.64 1 81 PHE -0.41 1.74 1 82 LYS -5.80 3.73 1 83 TRP -3.81 2.07 1 84 PHE 4.82 -0.34 1 85 ASP 1.65 -1.61 1 86 ASN 3.14 -1.04 1 87 SER 0.32 0.05 1 88 ASN 0.28 0.60 1 89 MET 1.00 -2.39 1 90 THR 0.46 -0.07 1 91 PHE -4.27 3.98 1 92 ASP -5.28 3.49 1 94 TRP -0.55 0.62 1 95 THR -0.69 0.43 1 96 ASP 0.79 -0.27 1 97 GLN -1.38 1.27 1 98 ASP -0.07 0.33 1 99 ASP -0.16 0.33 1 100 ASP -0.13 0.18 1 101 GLU -0.60 0.69 1 102 ASP 0.22 -0.24 1 103 LEU 0.17 -0.32 1 104 VAL 2.47 -0.68 1 105 ASP 0.28 -0.22 1 106 THR 1.31 0.12 1 108 ALA -7.30 5.29 1 109 PHE -5.13 3.38 1 110 LEU -2.50 1.71 1 111 HIS -0.78 0.64 1 112 ILE 5.01 -1.62 1 113 LYS 3.17 -0.27 1 114 THR -2.59 1.64 1 116 GLU -3.54 2.35 1 117 TRP -5.79 1.06 1 118 LYS -4.99 3.29 1 119 LYS -1.30 0.95 1 121 ASN 0.46 0.44 1 123 GLU 0.88 -1.24 1 124 VAL 0.03 -0.14 1 125 SER 2.37 -0.27 1 126 SER -0.71 0.47 1 127 VAL -1.13 0.96 1 128 GLU -0.64 0.70 1 130 THR -2.22 2.32 1 131 LEU -3.65 2.32 1 133 LYS -6.90 5.58 1 134 THR -2.36 1.17 1 135 ALA -1.33 0.97 1 136 ILE 1.19 -0.09 1 138 TYR -0.08 -0.01 1 139 LYS -0.13 -0.02 1 140 ARG 0.84 0.66 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25802_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.12 _LACS_plot.Line_1_terminator_val_y_1 0.91 _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 0.22 _LACS_plot.Line_2_terminator_val_x_2 6.71 _LACS_plot.Line_2_terminator_val_y_2 -0.65 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 92 ASP -5.28 -1.30 0 44 SER -3.93 -1.70 0 10 GLN -1.42 1.01 1 11 PHE -0.29 -0.36 1 12 GLN 5.98 -1.01 1 13 ASP 0.70 0.08 1 14 SER -3.02 0.72 1 16 TYR -4.52 1.21 1 17 ILE -3.24 0.25 1 18 PHE -2.45 0.89 1 19 LEU -1.25 -0.21 1 20 GLN -0.68 -0.11 1 21 GLU -1.99 -0.09 1 22 ALA 0.23 0.27 1 23 ILE -3.67 0.23 1 24 LYS 0.67 0.14 1 25 VAL -3.34 0.32 1 26 GLU -1.93 0.24 1 27 SER -4.01 0.40 1 28 ILE 3.09 -0.09 1 29 GLU 4.61 -0.57 1 30 ASP 2.64 -0.19 1 31 VAL 4.94 -0.46 1 32 ARG 6.16 -0.14 1 33 ASN 2.41 0.01 1 34 GLN 3.70 -0.15 1 36 THR 6.05 0.20 1 37 ASP 3.42 -0.13 1 38 HIS 0.71 0.00 1 40 ALA -6.67 0.64 1 41 ASP -5.42 0.24 1 42 MET -2.02 0.29 1 43 ILE 0.33 -0.37 1 45 ILE -3.29 0.15 1 46 HIS -0.29 0.22 1 47 ASN -1.81 -1.18 1 48 GLU 2.39 -0.54 1 49 GLU 5.37 -0.28 1 50 GLU 2.68 -0.42 1 51 ASN 3.38 -0.65 1 52 ALA 3.40 -0.29 1 53 PHE 3.79 -0.56 1 54 ILE 5.11 -1.27 1 55 LEU 3.52 -0.58 1 56 ASP 2.79 -0.47 1 57 THR 6.71 -0.91 1 58 LEU 3.42 -0.35 1 59 LYS 2.69 -0.26 1 60 LYS 0.87 -0.08 1 61 GLN 1.21 -0.01 1 62 TRP -1.73 0.13 1 63 LYS 1.67 -0.13 1 66 ASP 1.12 -0.14 1 67 ASP -3.79 1.11 1 68 ILE -5.24 0.67 1 69 LEU -0.35 -0.37 1 70 LEU -4.42 0.06 1 72 MET -8.12 0.81 1 73 PHE -5.39 0.58 1 74 TYR -0.38 -0.64 1 75 ASP -2.99 0.08 1 76 THR 3.69 -0.58 1 77 ASP 3.63 -0.17 1 78 ASP -0.87 -0.06 1 79 ALA 2.55 -0.67 1 80 SER -3.92 0.13 1 81 PHE -0.41 0.20 1 82 LYS -5.80 0.00 1 83 TRP -3.81 0.58 1 84 PHE 4.82 0.03 1 85 ASP 1.65 -0.18 1 86 ASN 3.14 0.05 1 87 SER 0.32 -0.01 1 88 ASN 0.28 0.10 1 89 MET 1.00 1.03 1 90 THR 0.46 0.35 1 91 PHE -4.27 0.09 1 93 LYS -1.03 -0.51 1 94 TRP -0.55 0.28 1 95 THR -0.69 0.11 1 96 ASP 0.79 0.00 1 97 GLN -1.38 0.08 1 98 ASP -0.07 -0.02 1 99 ASP -0.16 -0.05 1 100 ASP -0.13 -0.09 1 101 GLU -0.60 -0.18 1 102 ASP 0.22 -0.13 1 103 LEU 0.17 -0.17 1 104 VAL 2.47 -0.22 1 105 ASP 0.28 0.15 1 106 THR 1.31 0.17 1 108 ALA -7.30 1.00 1 109 PHE -5.13 0.57 1 110 LEU -2.50 0.33 1 111 HIS -0.78 0.79 1 112 ILE 5.01 -0.64 1 113 LYS 3.17 -0.37 1 114 THR -2.59 0.29 1 116 GLU -3.54 0.06 1 117 TRP -5.79 1.38 1 118 LYS -4.99 0.87 1 119 LYS -1.30 1.06 1 121 ASN 0.46 0.29 1 123 GLU 0.88 0.07 1 124 VAL 0.03 0.19 1 125 SER 2.37 0.06 1 126 SER -0.71 0.39 1 127 VAL -1.13 0.28 1 128 GLU -0.64 -0.01 1 130 THR -2.22 0.11 1 131 LEU -3.65 0.79 1 133 LYS -6.90 1.28 1 134 THR -2.36 0.38 1 135 ALA -1.33 0.35 1 136 ILE 1.19 -0.27 1 138 TYR -0.08 -0.07 1 139 LYS -0.13 -0.05 1 140 ARG 0.84 -0.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25802_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.12 _LACS_plot.Line_1_terminator_val_y_1 -2.98 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.94 _LACS_plot.Line_2_terminator_val_x_2 6.71 _LACS_plot.Line_2_terminator_val_y_2 2.11 _LACS_plot.Y_axis_chem_shift_offset 0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 83 TRP -3.81 4.07 0 10 GLN -1.42 -0.61 1 11 PHE -0.29 -1.76 1 12 GLN 5.98 -1.18 1 13 ASP 0.70 -0.88 1 14 SER -3.02 -3.39 1 16 TYR -4.52 -1.15 1 17 ILE -3.24 -5.91 1 18 PHE -2.45 -1.63 1 19 LEU -1.25 -1.57 1 20 GLN -0.68 -1.17 1 21 GLU -1.99 -1.45 1 22 ALA 0.23 -0.59 1 23 ILE -3.67 -1.42 1 24 LYS 0.67 -0.78 1 25 VAL -3.34 -1.22 1 26 GLU -1.93 -0.40 1 27 SER -4.01 0.46 1 28 ILE 3.09 0.11 1 29 GLU 4.61 1.56 1 30 ASP 2.64 2.57 1 31 VAL 4.94 1.50 1 32 ARG 6.16 2.87 1 33 ASN 2.41 1.97 1 34 GLN 3.70 3.02 1 36 THR 6.05 4.79 1 37 ASP 3.42 1.00 1 38 HIS 0.71 0.52 1 40 ALA -6.67 -3.77 1 41 ASP -5.42 -0.11 1 42 MET -2.02 1.59 1 43 ILE 0.33 -4.19 1 45 ILE -3.29 0.34 1 46 HIS -0.29 -1.53 1 47 ASN -1.81 -1.60 1 48 GLU 2.39 1.04 1 49 GLU 5.37 2.93 1 50 GLU 2.68 0.92 1 51 ASN 3.38 1.27 1 52 ALA 3.40 2.32 1 53 PHE 3.79 2.52 1 54 ILE 5.11 0.92 1 55 LEU 3.52 0.83 1 56 ASP 2.79 2.23 1 57 THR 6.71 2.55 1 58 LEU 3.42 0.36 1 59 LYS 2.69 1.46 1 60 LYS 0.87 0.38 1 61 GLN 1.21 0.17 1 62 TRP -1.73 -1.14 1 63 LYS 1.67 -0.15 1 66 ASP 1.12 -0.33 1 67 ASP -3.79 -1.31 1 68 ILE -5.24 -1.42 1 69 LEU -0.35 -1.22 1 70 LEU -4.42 0.94 1 72 MET -8.12 -3.42 1 73 PHE -5.39 -4.02 1 74 TYR -0.38 -2.12 1 75 ASP -2.99 -0.17 1 76 THR 3.69 1.81 1 77 ASP 3.63 0.89 1 78 ASP -0.87 -1.06 1 79 ALA 2.55 -2.37 1 80 SER -3.92 -2.05 1 81 PHE -0.41 -0.10 1 82 LYS -5.80 -1.58 1 84 PHE 4.82 1.06 1 85 ASP 1.65 0.91 1 86 ASN 3.14 -0.38 1 87 SER 0.32 -0.70 1 88 ASN 0.28 0.45 1 90 THR 0.46 -0.97 1 91 PHE -4.27 -3.02 1 92 ASP -5.28 -4.07 1 93 LYS -1.03 -0.72 1 94 TRP -0.55 2.36 1 95 THR -0.69 -0.50 1 96 ASP 0.79 -0.38 1 97 GLN -1.38 -0.80 1 98 ASP -0.07 -0.37 1 99 ASP -0.16 -0.36 1 100 ASP -0.13 -0.19 1 101 GLU -0.60 -0.66 1 102 ASP 0.22 -0.55 1 103 LEU 0.17 -0.54 1 104 VAL 2.47 -0.26 1 105 ASP 0.28 -1.20 1 106 THR 1.31 -1.08 1 108 ALA -7.30 -2.67 1 109 PHE -5.13 -0.90 1 110 LEU -2.50 -3.11 1 111 HIS -0.78 1.88 1 112 ILE 5.01 -0.02 1 113 LYS 3.17 1.16 1 114 THR -2.59 1.44 1 116 GLU -3.54 -1.91 1 117 TRP -5.79 -0.40 1 118 LYS -4.99 -1.07 1 119 LYS -1.30 0.83 1 121 ASN 0.46 1.68 1 123 GLU 0.88 0.02 1 124 VAL 0.03 -0.15 1 125 SER 2.37 0.72 1 126 SER -0.71 -0.69 1 127 VAL -1.13 -0.51 1 128 GLU -0.64 -1.00 1 130 THR -2.22 -3.23 1 131 LEU -3.65 -2.37 1 133 LYS -6.90 -1.49 1 134 THR -2.36 -3.17 1 135 ALA -1.33 0.09 1 138 TYR -0.08 -0.57 1 139 LYS -0.13 -1.60 1 140 ARG 0.84 4.65 1 stop_ save_