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 bmr6731_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.27 _LACS_plot.Line_1_terminator_val_y_1 -2.38 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.33 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.65 _LACS_plot.Line_2_terminator_val_x_2 5.52 _LACS_plot.Line_2_terminator_val_y_2 4.37 _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 74 TYR -5.24 0.36 0 83 ILE 0.55 -2.15 0 10 GLN -0.89 -0.73 1 11 VAL -3.19 -0.97 1 12 HIS -2.77 -1.48 1 13 VAL -2.34 -1.83 1 14 GLN -2.59 -1.36 1 15 LEU -2.00 -1.71 1 16 GLU -3.77 -1.69 1 17 LYS -2.25 -0.93 1 18 VAL -1.29 -1.04 1 19 TYR -1.14 0.98 1 20 LEU 1.23 2.42 1 21 ASP -0.88 -1.01 1 23 ASP -0.61 0.33 1 24 VAL -4.64 -1.90 1 25 SER -3.11 -1.53 1 26 ILE -1.99 -0.33 1 27 GLU -6.15 -2.04 1 28 HIS -4.19 0.23 1 29 LYS -4.50 -1.53 1 30 HIS -1.24 0.66 1 31 GLU -4.56 -1.51 1 32 LYS -0.74 -0.89 1 33 VAL -1.76 -0.38 1 34 PHE 1.56 1.73 1 35 SER -2.85 -2.48 1 36 MET 3.85 0.71 1 37 ASP 4.51 3.67 1 38 ASP 3.41 2.60 1 39 PHE 4.05 3.64 1 40 TRP 1.57 1.72 1 41 ALA 3.18 2.29 1 42 ALA 2.85 1.48 1 43 TYR 1.35 0.41 1 44 ALA 2.50 1.84 1 46 TRP -0.73 -0.31 1 47 THR 1.09 1.17 1 48 LEU 1.49 0.85 1 49 VAL 1.94 2.04 1 50 GLU -5.08 -1.35 1 51 GLN -3.48 -0.86 1 52 LYS -4.55 -1.67 1 53 LYS 4.62 2.86 1 55 TYR -3.73 -0.76 1 56 VAL -4.64 -1.59 1 57 LEU -3.90 -1.72 1 58 PHE -7.15 -2.02 1 59 ARG -7.05 -1.57 1 60 LYS -4.28 -0.55 1 61 GLN 0.06 -1.04 1 63 ASP 0.29 -1.51 1 64 ASP -4.25 -2.00 1 65 ILE 0.85 0.38 1 66 SER 0.29 0.27 1 68 LEU 2.96 1.77 1 69 SER 3.80 2.80 1 70 LYS 3.94 2.98 1 71 VAL 1.07 1.07 1 72 ASN -2.02 -1.04 1 75 ILE -2.74 -1.04 1 77 VAL -6.84 -3.68 1 78 SER -3.39 -1.44 1 79 ASP 3.11 2.25 1 80 ASN 0.08 -0.63 1 82 VAL 2.00 1.09 1 84 SER -4.88 -0.90 1 85 THR -3.58 -2.44 1 86 PHE -4.40 0.30 1 87 HIS -0.89 -0.12 1 89 ARG 1.69 0.65 1 91 GLU -1.07 -0.17 1 93 ALA 0.26 -0.34 1 94 SER 2.02 1.94 1 95 GLU -2.31 -0.96 1 97 ILE 4.28 2.05 1 98 GLN -4.57 -1.46 1 99 SER -1.64 -0.75 1 100 PHE 2.03 2.12 1 101 PHE -2.87 -2.71 1 102 GLN -2.35 -0.74 1 103 ILE -5.17 -1.80 1 104 ASP -1.41 -2.03 1 105 LEU 2.65 2.79 1 106 GLU 1.91 1.22 1 107 ARG -0.05 0.39 1 108 LEU -0.72 -0.03 1 109 GLU 0.32 0.58 1 110 SER -0.02 -1.15 1 111 HIS 4.32 4.44 1 112 MET 2.21 1.10 1 113 GLN 5.12 4.33 1 114 LYS 4.19 3.13 1 115 ASN 3.67 2.62 1 116 LEU 2.97 2.77 1 117 LEU 3.06 2.49 1 118 LYS 0.80 0.75 1 120 ILE -2.70 -0.40 1 122 PHE -2.56 -0.47 1 123 ARG -3.55 -2.80 1 124 THR -7.27 -3.26 1 125 LYS 4.64 4.23 1 126 ALA 3.42 2.60 1 127 GLU 0.99 2.62 1 128 PHE 3.58 3.40 1 129 GLU 3.27 2.89 1 130 ASP 2.94 3.22 1 131 VAL 5.53 4.27 1 132 ILE 5.33 1.62 1 133 GLU 3.48 2.58 1 134 HIS 3.82 4.12 1 135 MET 2.00 1.14 1 136 LYS 3.81 2.95 1 137 THR 3.47 2.73 1 138 TYR 0.57 -0.24 1 139 SER -1.35 -0.02 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6731_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.27 _LACS_plot.Line_1_terminator_val_y_1 4.89 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.66 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.35 _LACS_plot.Line_2_terminator_val_x_2 5.52 _LACS_plot.Line_2_terminator_val_y_2 -1.15 _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 74 TYR -5.24 5.60 0 83 ILE 0.55 -2.70 0 10 GLN -0.89 0.16 1 11 VAL -3.19 2.22 1 12 HIS -2.77 1.29 1 13 VAL -2.34 0.51 1 14 GLN -2.59 1.23 1 15 LEU -2.00 0.29 1 16 GLU -3.77 2.08 1 17 LYS -2.25 1.32 1 18 VAL -1.29 0.25 1 19 TYR -1.14 2.12 1 20 LEU 1.23 1.19 1 21 ASP -0.88 -0.13 1 23 ASP -0.61 0.94 1 24 VAL -4.64 2.74 1 25 SER -3.11 1.58 1 26 ILE -1.99 1.66 1 27 GLU -6.15 4.11 1 28 HIS -4.19 4.42 1 29 LYS -4.50 2.97 1 30 HIS -1.24 1.90 1 31 GLU -4.56 3.05 1 32 LYS -0.74 -0.15 1 33 VAL -1.76 1.38 1 34 PHE 1.56 0.17 1 35 SER -2.85 0.37 1 36 MET 3.85 -3.14 1 37 ASP 4.51 -0.84 1 38 ASP 3.41 -0.81 1 39 PHE 4.05 -0.41 1 40 TRP 1.57 0.15 1 41 ALA 3.18 -0.89 1 42 ALA 2.85 -1.37 1 43 TYR 1.35 -0.94 1 44 ALA 2.50 -0.66 1 46 TRP -0.73 0.42 1 47 THR 1.09 0.08 1 48 LEU 1.49 -0.64 1 49 VAL 1.94 0.10 1 50 GLU -5.08 3.73 1 51 GLN -3.48 2.62 1 52 LYS -4.55 2.88 1 53 LYS 4.62 -1.76 1 55 TYR -3.73 2.97 1 56 VAL -4.64 3.05 1 57 LEU -3.90 2.18 1 58 PHE -7.15 5.13 1 59 ARG -7.05 5.48 1 60 LYS -4.28 3.73 1 61 GLN 0.06 -1.10 1 63 ASP 0.29 -1.80 1 64 ASP -4.25 2.25 1 65 ILE 0.85 -0.47 1 66 SER 0.29 -0.02 1 68 LEU 2.96 -1.19 1 69 SER 3.80 -1.00 1 70 LYS 3.94 -0.96 1 71 VAL 1.07 0.00 1 72 ASN -2.02 0.98 1 75 ILE -2.74 1.70 1 77 VAL -6.84 3.16 1 78 SER -3.39 1.95 1 79 ASP 3.11 -0.86 1 80 ASN 0.08 -0.71 1 82 VAL 2.00 -0.91 1 84 SER -4.88 3.98 1 85 THR -3.58 1.14 1 86 PHE -4.40 4.70 1 87 HIS -0.89 0.77 1 89 ARG 1.69 -1.04 1 91 GLU -1.07 0.90 1 93 ALA 0.26 -0.60 1 94 SER 2.02 -0.08 1 95 GLU -2.31 1.35 1 97 ILE 4.28 -2.23 1 98 GLN -4.57 3.11 1 99 SER -1.64 0.89 1 100 PHE 2.03 0.09 1 101 PHE -2.87 0.16 1 102 GLN -2.35 1.61 1 103 ILE -5.17 3.37 1 104 ASP -1.41 -0.62 1 105 LEU 2.65 0.14 1 106 GLU 1.91 -0.69 1 107 ARG -0.05 0.44 1 108 LEU -0.72 0.69 1 109 GLU 0.32 0.26 1 110 SER -0.02 -1.13 1 111 HIS 4.32 0.12 1 112 MET 2.21 -1.11 1 113 GLN 5.12 -0.79 1 114 LYS 4.19 -1.06 1 115 ASN 3.67 -1.05 1 116 LEU 2.97 -0.20 1 117 LEU 3.06 -0.57 1 118 LYS 0.80 -0.05 1 120 ILE -2.70 2.30 1 122 PHE -2.56 2.09 1 123 ARG -3.55 0.75 1 124 THR -7.27 4.01 1 125 LYS 4.64 -0.41 1 126 ALA 3.42 -0.82 1 127 GLU 0.99 1.63 1 128 PHE 3.58 -0.18 1 129 GLU 3.27 -0.38 1 130 ASP 2.94 0.28 1 131 VAL 5.53 -1.26 1 132 ILE 5.33 -3.71 1 133 GLU 3.48 -0.90 1 134 HIS 3.82 0.30 1 135 MET 2.00 -0.86 1 136 LYS 3.81 -0.86 1 137 THR 3.47 -0.74 1 138 TYR 0.57 -0.81 1 139 SER -1.35 1.33 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6731_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.27 _LACS_plot.Line_1_terminator_val_y_1 0.86 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 0.26 _LACS_plot.Line_2_terminator_val_x_2 5.52 _LACS_plot.Line_2_terminator_val_y_2 -0.57 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 89 ARG 1.69 -2.07 0 66 SER 0.29 -1.94 0 10 GLN -0.89 0.45 1 11 VAL -3.19 -0.19 1 12 HIS -2.77 0.19 1 13 VAL -2.34 0.28 1 14 GLN -2.59 0.41 1 15 LEU -2.00 0.32 1 16 GLU -3.77 0.92 1 17 LYS -2.25 0.47 1 18 VAL -1.29 0.45 1 19 TYR -1.14 0.15 1 20 LEU 1.23 -0.35 1 21 ASP -0.88 -0.66 1 23 ASP -0.61 -0.07 1 24 VAL -4.64 1.32 1 25 SER -3.11 0.53 1 26 ILE -1.99 0.94 1 27 GLU -6.15 0.41 1 28 HIS -4.19 0.71 1 29 LYS -4.50 0.34 1 30 HIS -1.24 0.47 1 31 GLU -4.56 0.32 1 32 LYS -0.74 0.35 1 33 VAL -1.76 -0.04 1 34 PHE 1.56 -0.15 1 35 SER -2.85 0.16 1 36 MET 3.85 -0.19 1 37 ASP 4.51 -0.03 1 38 ASP 3.41 -0.21 1 39 PHE 4.05 -0.40 1 40 TRP 1.57 -0.10 1 41 ALA 3.18 -0.15 1 42 ALA 2.85 -0.40 1 43 TYR 1.35 -0.46 1 44 ALA 2.50 -0.03 1 46 TRP -0.73 -0.33 1 47 THR 1.09 0.17 1 48 LEU 1.49 0.05 1 49 VAL 1.94 -0.14 1 50 GLU -5.08 0.22 1 51 GLN -3.48 0.70 1 52 LYS -4.55 0.30 1 53 LYS 4.62 -0.26 1 55 TYR -3.73 1.20 1 56 VAL -4.64 -0.09 1 57 LEU -3.90 0.58 1 58 PHE -7.15 1.13 1 59 ARG -7.05 1.75 1 60 LYS -4.28 0.18 1 61 GLN 0.06 0.11 1 63 ASP 0.29 0.15 1 64 ASP -4.25 0.12 1 65 ILE 0.85 0.15 1 68 LEU 2.96 -0.31 1 69 SER 3.80 -0.51 1 70 LYS 3.94 -0.27 1 71 VAL 1.07 -0.03 1 72 ASN -2.02 0.02 1 74 TYR -5.24 0.74 1 75 ILE -2.74 1.10 1 77 VAL -6.84 1.28 1 78 SER -3.39 0.34 1 79 ASP 3.11 -0.32 1 80 ASN 0.08 0.07 1 82 VAL 2.00 -0.03 1 83 ILE 0.55 0.49 1 84 SER -4.88 1.27 1 85 THR -3.58 0.99 1 86 PHE -4.40 0.38 1 87 HIS -0.89 0.21 1 91 GLU -1.07 -0.06 1 93 ALA 0.26 0.04 1 94 SER 2.02 -0.14 1 95 GLU -2.31 0.18 1 97 ILE 4.28 -0.54 1 98 GLN -4.57 -0.05 1 99 SER -1.64 0.60 1 100 PHE 2.03 -0.21 1 101 PHE -2.87 0.22 1 102 GLN -2.35 0.59 1 103 ILE -5.17 0.63 1 104 ASP -1.41 0.15 1 105 LEU 2.65 -0.63 1 106 GLU 1.91 -0.39 1 107 ARG -0.05 -0.15 1 108 LEU -0.72 -0.51 1 109 GLU 0.32 -0.18 1 110 SER -0.02 0.23 1 111 HIS 4.32 -0.44 1 112 MET 2.21 -0.17 1 113 GLN 5.12 -0.74 1 114 LYS 4.19 -0.45 1 115 ASN 3.67 -0.33 1 116 LEU 2.97 -0.27 1 117 LEU 3.06 -0.35 1 118 LYS 0.80 -0.08 1 120 ILE -2.70 0.23 1 122 PHE -2.56 0.26 1 124 THR -7.27 0.34 1 125 LYS 4.64 -0.34 1 126 ALA 3.42 -0.10 1 127 GLU 0.99 -0.25 1 128 PHE 3.58 -1.15 1 129 GLU 3.27 -0.92 1 130 ASP 2.94 -0.33 1 131 VAL 5.53 -0.38 1 132 ILE 5.33 -0.75 1 133 GLU 3.48 -0.54 1 134 HIS 3.82 -0.36 1 135 MET 2.00 0.18 1 136 LYS 3.81 -0.98 1 137 THR 3.47 -0.44 1 138 TYR 0.57 0.03 1 139 SER -1.35 0.28 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6731_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.27 _LACS_plot.Line_1_terminator_val_y_1 -2.70 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.68 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.91 _LACS_plot.Line_2_terminator_val_x_2 5.52 _LACS_plot.Line_2_terminator_val_y_2 2.14 _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 124 THR -7.27 0.02 0 40 TRP 1.57 4.50 0 56 VAL -4.64 -5.49 0 10 GLN -0.89 -0.55 1 11 VAL -3.19 -2.41 1 12 HIS -2.77 -1.84 1 13 VAL -2.34 -2.86 1 14 GLN -2.59 -3.01 1 15 LEU -2.00 -1.20 1 16 GLU -3.77 -1.89 1 17 LYS -2.25 -2.44 1 18 VAL -1.29 -0.40 1 19 TYR -1.14 2.47 1 20 LEU 1.23 -1.08 1 21 ASP -0.88 -1.10 1 23 ASP -0.61 -1.69 1 24 VAL -4.64 0.52 1 25 SER -3.11 -1.14 1 26 ILE -1.99 -0.74 1 27 GLU -6.15 -2.85 1 28 HIS -4.19 1.30 1 29 LYS -4.50 -2.38 1 30 HIS -1.24 1.01 1 31 GLU -4.56 -1.47 1 32 LYS -0.74 -0.92 1 33 VAL -1.76 -1.41 1 34 PHE 1.56 -0.05 1 35 SER -2.85 0.97 1 36 MET 3.85 1.11 1 37 ASP 4.51 2.90 1 38 ASP 3.41 2.00 1 39 PHE 4.05 0.65 1 41 ALA 3.18 2.29 1 42 ALA 2.85 0.80 1 43 TYR 1.35 -1.22 1 44 ALA 2.50 1.21 1 46 TRP -0.73 -0.31 1 47 THR 1.09 -0.68 1 48 LEU 1.49 -1.94 1 49 VAL 1.94 -0.30 1 50 GLU -5.08 -3.80 1 51 GLN -3.48 -2.20 1 52 LYS -4.55 -0.78 1 53 LYS 4.62 1.55 1 55 TYR -3.73 -3.39 1 57 LEU -3.90 -2.73 1 58 PHE -7.15 -1.12 1 59 ARG -7.05 -1.18 1 60 LYS -4.28 -2.33 1 61 GLN 0.06 -0.46 1 64 ASP -4.25 -2.52 1 65 ILE 0.85 -2.63 1 66 SER 0.29 0.97 1 68 LEU 2.96 2.29 1 69 SER 3.80 0.50 1 70 LYS 3.94 -0.70 1 71 VAL 1.07 1.32 1 72 ASN -2.02 0.31 1 74 TYR -5.24 -0.33 1 75 ILE -2.74 -1.24 1 77 VAL -6.84 -2.21 1 78 SER -3.39 0.77 1 79 ASP 3.11 -0.02 1 80 ASN 0.08 0.36 1 82 VAL 2.00 0.60 1 83 ILE 0.55 -1.20 1 84 SER -4.88 -2.46 1 85 THR -3.58 -0.89 1 86 PHE -4.40 -0.37 1 87 HIS -0.89 1.62 1 89 ARG 1.69 1.01 1 91 GLU -1.07 0.44 1 93 ALA 0.26 0.15 1 94 SER 2.02 -0.97 1 95 GLU -2.31 -0.89 1 97 ILE 4.28 0.33 1 98 GLN -4.57 -3.02 1 99 SER -1.64 -0.91 1 100 PHE 2.03 -1.61 1 101 PHE -2.87 -3.05 1 102 GLN -2.35 -0.20 1 103 ILE -5.17 -2.29 1 104 ASP -1.41 0.42 1 105 LEU 2.65 0.88 1 106 GLU 1.91 1.06 1 107 ARG -0.05 0.01 1 108 LEU -0.72 -0.72 1 109 GLU 0.32 1.90 1 111 HIS 4.32 3.26 1 112 MET 2.21 1.64 1 113 GLN 5.12 1.43 1 114 LYS 4.19 2.69 1 115 ASN 3.67 1.95 1 116 LEU 2.97 0.88 1 117 LEU 3.06 1.54 1 118 LYS 0.80 0.22 1 122 PHE -2.56 -1.85 1 123 ARG -3.55 -0.61 1 125 LYS 4.64 0.15 1 126 ALA 3.42 2.49 1 127 GLU 0.99 2.02 1 128 PHE 3.58 -0.34 1 129 GLU 3.27 2.22 1 130 ASP 2.94 2.97 1 131 VAL 5.53 2.03 1 132 ILE 5.33 1.65 1 133 GLU 3.48 3.00 1 134 HIS 3.82 4.26 1 135 MET 2.00 1.86 1 136 LYS 3.81 2.54 1 137 THR 3.47 0.13 1 138 TYR 0.57 -1.00 1 139 SER -1.35 -0.79 1 stop_ save_