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 bmr6465_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.60 _LACS_plot.Line_1_terminator_val_y_1 -2.44 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.88 _LACS_plot.Line_2_terminator_val_x_2 6.76 _LACS_plot.Line_2_terminator_val_y_2 5.75 _LACS_plot.Y_axis_chem_shift_offset -0.57 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 69 ASN -7.60 0.34 0 11 ASN 0.02 0.79 1 13 ALA -0.47 0.56 1 14 ALA -0.29 0.54 1 15 GLN -0.17 0.96 1 16 THR -4.19 -1.51 1 17 PHE -2.01 0.62 1 20 TYR -3.28 -0.47 1 21 SER -2.70 -0.97 1 22 VAL 6.76 5.98 1 23 ALA 3.79 3.58 1 24 ASP 4.24 3.89 1 25 LEU 4.76 3.92 1 26 GLN 2.96 3.29 1 27 GLN -1.03 1.31 1 28 ARG -0.69 2.28 1 29 TYR -0.06 -1.13 1 30 ASN 0.46 0.27 1 31 THR -1.09 0.95 1 32 VAL -3.03 -1.40 1 33 TYR -0.93 0.73 1 34 PHE -6.95 -0.14 1 36 PHE 2.49 2.81 1 37 ASP -1.54 0.83 1 38 LYS -4.16 -1.23 1 39 TYR -0.06 -1.12 1 40 ASP -1.87 -0.84 1 41 ILE 1.04 -0.76 1 42 THR -1.38 0.09 1 44 GLU 2.63 2.24 1 45 TYR 1.59 2.58 1 46 VAL 5.88 5.63 1 47 GLN 5.51 4.76 1 48 ILE 2.82 3.92 1 49 LEU 3.56 3.95 1 50 ASP 5.21 4.40 1 51 ALA 2.76 4.10 1 52 HIS 4.50 7.38 1 53 ALA 3.94 3.71 1 54 ALA 3.56 3.40 1 55 TYR 3.03 2.75 1 56 LEU 2.62 4.05 1 57 ASN 2.84 2.60 1 58 ALA -1.33 0.98 1 59 THR 1.39 0.68 1 61 ALA 0.11 0.58 1 62 ALA -0.75 1.12 1 63 LYS -3.38 0.00 1 64 VAL -6.41 -2.26 1 65 LEU -4.50 -2.02 1 66 VAL 0.97 0.10 1 67 GLU -4.46 -2.26 1 70 THR -2.14 -0.86 1 71 ASP -1.88 -0.09 1 72 GLU 0.98 0.86 1 73 ARG 4.97 3.64 1 75 THR 1.26 0.75 1 77 GLU 4.85 4.42 1 78 TYR 3.77 4.86 1 79 ASN 2.99 3.17 1 80 ILE 4.92 3.55 1 81 ALA 4.04 2.92 1 82 LEU 4.08 3.39 1 84 GLN 4.16 3.34 1 85 ARG 5.00 4.83 1 86 ARG 4.93 4.52 1 87 ALA 3.60 3.09 1 88 ASP 4.34 3.83 1 89 ALA 2.94 3.51 1 90 VAL 5.64 5.04 1 91 LYS 4.99 4.98 1 93 TYR 3.94 4.61 1 94 LEU 3.91 3.74 1 95 ALA 3.57 3.01 1 97 LYS -0.52 -2.04 1 99 VAL 2.06 1.42 1 100 ASP -0.91 1.67 1 101 ALA 3.55 3.54 1 103 LYS -0.20 1.11 1 104 LEU -4.98 -1.09 1 106 THR -5.85 -1.46 1 107 VAL -3.15 -0.53 1 108 SER -5.23 -3.24 1 109 TYR -2.62 -2.48 1 111 GLU -2.47 -0.36 1 112 GLU 1.13 3.21 1 113 LYS -1.49 -0.36 1 115 ALA 1.41 2.08 1 116 VAL -3.35 -0.48 1 117 LEU 0.65 -0.03 1 119 HIS -0.95 -0.45 1 120 ASP -4.55 -2.00 1 121 GLU 2.62 2.38 1 122 ALA 4.41 3.54 1 123 ALA 3.01 2.58 1 124 TYR 2.94 0.83 1 125 SER 4.02 3.67 1 126 LYS 0.51 0.27 1 127 ASN 0.42 0.78 1 128 ARG -0.80 0.93 1 129 ARG -4.15 -1.27 1 130 ALA -5.16 -1.92 1 131 VAL -3.38 -0.61 1 132 LEU 3.31 1.86 1 133 ALA -0.31 -0.10 1 134 TYR 1.19 3.66 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6465_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.60 _LACS_plot.Line_1_terminator_val_y_1 5.16 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.73 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.12 _LACS_plot.Line_2_terminator_val_x_2 6.76 _LACS_plot.Line_2_terminator_val_y_2 -1.01 _LACS_plot.Y_axis_chem_shift_offset -0.57 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 69 ASN -7.60 7.94 0 11 ASN 0.02 0.77 1 13 ALA -0.47 1.03 1 14 ALA -0.29 0.83 1 15 GLN -0.17 1.13 1 16 THR -4.19 2.68 1 17 PHE -2.01 2.63 1 20 TYR -3.28 2.81 1 21 SER -2.70 1.73 1 22 VAL 6.76 -0.78 1 23 ALA 3.79 -0.21 1 24 ASP 4.24 -0.35 1 25 LEU 4.76 -0.84 1 26 GLN 2.96 0.33 1 27 GLN -1.03 2.34 1 28 ARG -0.69 2.97 1 29 TYR -0.06 -1.07 1 30 ASN 0.46 -0.19 1 31 THR -1.09 2.04 1 32 VAL -3.03 1.63 1 33 TYR -0.93 1.66 1 34 PHE -6.95 6.81 1 36 PHE 2.49 0.32 1 37 ASP -1.54 2.37 1 38 LYS -4.16 2.93 1 39 TYR -0.06 -1.06 1 40 ASP -1.87 1.03 1 41 ILE 1.04 -1.80 1 42 THR -1.38 1.47 1 44 GLU 2.63 -0.39 1 45 TYR 1.59 0.99 1 46 VAL 5.88 -0.25 1 47 GLN 5.51 -0.75 1 48 ILE 2.82 1.10 1 49 LEU 3.56 0.39 1 50 ASP 5.21 -0.81 1 51 ALA 2.76 1.34 1 52 HIS 4.50 2.88 1 53 ALA 3.94 -0.23 1 54 ALA 3.56 -0.16 1 55 TYR 3.03 -0.28 1 56 LEU 2.62 1.43 1 57 ASN 2.84 -0.24 1 58 ALA -1.33 2.31 1 59 THR 1.39 -0.71 1 61 ALA 0.11 0.47 1 62 ALA -0.75 1.87 1 63 LYS -3.38 3.38 1 64 VAL -6.41 4.15 1 65 LEU -4.50 2.48 1 66 VAL 0.97 -0.87 1 67 GLU -4.46 2.20 1 70 THR -2.14 1.28 1 71 ASP -1.88 1.79 1 72 GLU 0.98 -0.12 1 73 ARG 4.97 -1.33 1 75 THR 1.26 -0.51 1 77 GLU 4.85 -0.43 1 78 TYR 3.77 1.09 1 79 ASN 2.99 0.18 1 80 ILE 4.92 -1.37 1 81 ALA 4.04 -1.12 1 82 LEU 4.08 -0.69 1 84 GLN 4.16 -0.82 1 85 ARG 5.00 -0.17 1 86 ARG 4.93 -0.41 1 87 ALA 3.60 -0.51 1 88 ASP 4.34 -0.51 1 89 ALA 2.94 0.57 1 90 VAL 5.64 -0.60 1 91 LYS 4.99 -0.01 1 93 TYR 3.94 0.67 1 94 LEU 3.91 -0.17 1 95 ALA 3.57 -0.56 1 97 LYS -0.52 -1.52 1 99 VAL 2.06 -0.64 1 100 ASP -0.91 2.58 1 101 ALA 3.55 -0.01 1 103 LYS -0.20 1.31 1 104 LEU -4.98 3.89 1 106 THR -5.85 4.39 1 107 VAL -3.15 2.62 1 108 SER -5.23 1.99 1 109 TYR -2.62 0.14 1 111 GLU -2.47 2.11 1 112 GLU 1.13 2.08 1 113 LYS -1.49 1.13 1 115 ALA 1.41 0.67 1 116 VAL -3.35 2.87 1 117 LEU 0.65 -0.68 1 119 HIS -0.95 0.50 1 120 ASP -4.55 2.55 1 121 GLU 2.62 -0.24 1 122 ALA 4.41 -0.87 1 123 ALA 3.01 -0.43 1 124 TYR 2.94 -2.11 1 125 SER 4.02 -0.35 1 126 LYS 0.51 -0.24 1 127 ASN 0.42 0.36 1 128 ARG -0.80 1.73 1 129 ARG -4.15 2.88 1 130 ALA -5.16 3.24 1 131 VAL -3.38 2.77 1 132 LEU 3.31 -1.45 1 133 ALA -0.31 0.21 1 134 TYR 1.19 2.47 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6465_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.60 _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 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.21 _LACS_plot.Line_2_terminator_val_x_2 6.76 _LACS_plot.Line_2_terminator_val_y_2 -0.58 _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 55 TYR 3.03 -1.70 0 11 ASN 0.02 0.00 1 13 ALA -0.47 -0.04 1 14 ALA -0.29 -0.01 1 15 GLN -0.17 -0.10 1 16 THR -4.19 0.34 1 17 PHE -2.01 0.07 1 20 TYR -3.28 0.35 1 21 SER -2.70 0.31 1 22 VAL 6.76 -1.02 1 23 ALA 3.79 -0.31 1 24 ASP 4.24 -0.21 1 25 LEU 4.76 -0.56 1 26 GLN 2.96 -0.22 1 27 GLN -1.03 0.25 1 28 ARG -0.69 0.25 1 29 TYR -0.06 0.62 1 30 ASN 0.46 0.05 1 31 THR -1.09 0.68 1 32 VAL -3.03 -0.77 1 33 TYR -0.93 0.57 1 34 PHE -6.95 0.30 1 36 PHE 2.49 -0.57 1 37 ASP -1.54 -0.47 1 38 LYS -4.16 0.36 1 39 TYR -0.06 -0.18 1 40 ASP -1.87 0.10 1 41 ILE 1.04 -0.03 1 42 THR -1.38 0.30 1 44 GLU 2.63 -0.22 1 45 TYR 1.59 -0.04 1 46 VAL 5.88 -0.77 1 47 GLN 5.51 -0.13 1 48 ILE 2.82 -0.33 1 49 LEU 3.56 -0.09 1 50 ASP 5.21 -0.05 1 51 ALA 2.76 -0.07 1 52 HIS 4.50 -0.61 1 53 ALA 3.94 -0.42 1 54 ALA 3.56 -0.13 1 56 LEU 2.62 -0.99 1 57 ASN 2.84 -0.26 1 58 ALA -1.33 0.13 1 59 THR 1.39 -0.07 1 61 ALA 0.11 0.01 1 62 ALA -0.75 0.09 1 63 LYS -3.38 0.44 1 64 VAL -6.41 0.26 1 65 LEU -4.50 0.09 1 66 VAL 0.97 0.55 1 67 GLU -4.46 0.28 1 69 ASN -7.60 0.96 1 70 THR -2.14 -0.10 1 71 ASP -1.88 0.33 1 72 GLU 0.98 -0.24 1 73 ARG 4.97 -0.12 1 77 GLU 4.85 -0.38 1 78 TYR 3.77 -0.67 1 79 ASN 2.99 0.07 1 80 ILE 4.92 -0.65 1 81 ALA 4.04 -0.14 1 82 LEU 4.08 -0.71 1 84 GLN 4.16 -0.65 1 85 ARG 5.00 -0.44 1 86 ARG 4.93 -0.79 1 87 ALA 3.60 -0.41 1 88 ASP 4.34 -0.18 1 89 ALA 2.94 0.04 1 90 VAL 5.64 -0.49 1 91 LYS 4.99 -0.55 1 93 TYR 3.94 -0.51 1 94 LEU 3.91 -0.40 1 95 ALA 3.57 0.12 1 97 LYS -0.52 0.13 1 99 VAL 2.06 0.00 1 100 ASP -0.91 -0.33 1 101 ALA 3.55 -0.44 1 103 LYS -0.20 0.02 1 104 LEU -4.98 0.53 1 106 THR -5.85 1.21 1 107 VAL -3.15 0.24 1 108 SER -5.23 0.31 1 109 TYR -2.62 0.49 1 111 GLU -2.47 0.36 1 112 GLU 1.13 -0.28 1 113 LYS -1.49 0.17 1 115 ALA 1.41 -0.09 1 116 VAL -3.35 0.08 1 117 LEU 0.65 0.04 1 119 HIS -0.95 0.26 1 120 ASP -4.55 -0.15 1 121 GLU 2.62 0.07 1 122 ALA 4.41 -0.30 1 123 ALA 3.01 -0.33 1 124 TYR 2.94 -0.05 1 125 SER 4.02 -0.31 1 126 LYS 0.51 0.07 1 127 ASN 0.42 0.43 1 128 ARG -0.80 -0.11 1 129 ARG -4.15 1.56 1 130 ALA -5.16 1.58 1 131 VAL -3.38 0.44 1 132 LEU 3.31 -0.23 1 133 ALA -0.31 0.26 1 134 TYR 1.19 -0.03 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6465_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.60 _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 0.97 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.78 _LACS_plot.Line_2_terminator_val_x_2 6.76 _LACS_plot.Line_2_terminator_val_y_2 2.99 _LACS_plot.Y_axis_chem_shift_offset -0.11 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 132 LEU 3.31 -4.78 0 11 ASN 0.02 0.87 1 14 ALA -0.29 -0.37 1 15 GLN -0.17 -0.82 1 16 THR -4.19 -1.68 1 17 PHE -2.01 0.11 1 20 TYR -3.28 -0.20 1 21 SER -2.70 0.08 1 22 VAL 6.76 1.18 1 23 ALA 3.79 2.14 1 24 ASP 4.24 3.44 1 25 LEU 4.76 -1.06 1 26 GLN 2.96 2.57 1 27 GLN -1.03 0.40 1 28 ARG -0.69 0.11 1 29 TYR -0.06 -1.15 1 30 ASN 0.46 -1.43 1 31 THR -1.09 -2.68 1 33 TYR -0.93 -1.06 1 34 PHE -6.95 1.15 1 36 PHE 2.49 0.38 1 37 ASP -1.54 -1.37 1 38 LYS -4.16 1.05 1 39 TYR -0.06 -4.38 1 40 ASP -1.87 -0.71 1 41 ILE 1.04 0.22 1 42 THR -1.38 1.27 1 44 GLU 2.63 0.36 1 45 TYR 1.59 -0.55 1 46 VAL 5.88 0.16 1 47 GLN 5.51 3.78 1 48 ILE 2.82 1.81 1 49 LEU 3.56 1.69 1 50 ASP 5.21 3.48 1 51 ALA 2.76 1.32 1 52 HIS 4.50 4.01 1 53 ALA 3.94 0.26 1 54 ALA 3.56 2.52 1 55 TYR 3.03 2.10 1 56 LEU 2.62 1.83 1 57 ASN 2.84 1.92 1 58 ALA -1.33 -0.37 1 61 ALA 0.11 -0.22 1 62 ALA -0.75 -1.32 1 63 LYS -3.38 -2.91 1 64 VAL -6.41 -4.36 1 65 LEU -4.50 -3.42 1 66 VAL 0.97 -1.39 1 67 GLU -4.46 0.68 1 69 ASN -7.60 -0.45 1 70 THR -2.14 -0.49 1 71 ASP -1.88 3.16 1 72 GLU 0.98 1.23 1 73 ARG 4.97 2.03 1 77 GLU 4.85 2.88 1 79 ASN 2.99 4.22 1 80 ILE 4.92 3.06 1 81 ALA 4.04 1.63 1 82 LEU 4.08 1.25 1 84 GLN 4.16 1.02 1 85 ARG 5.00 4.02 1 86 ARG 4.93 0.36 1 87 ALA 3.60 2.00 1 88 ASP 4.34 3.50 1 89 ALA 2.94 3.42 1 90 VAL 5.64 0.91 1 91 LYS 4.99 0.92 1 93 TYR 3.94 3.10 1 94 LEU 3.91 1.99 1 95 ALA 3.57 4.67 1 97 LYS -0.52 0.11 1 99 VAL 2.06 -0.20 1 100 ASP -0.91 0.61 1 101 ALA 3.55 2.29 1 103 LYS -0.20 -2.46 1 104 LEU -4.98 -2.19 1 106 THR -5.85 -1.07 1 107 VAL -3.15 -4.80 1 108 SER -5.23 0.39 1 109 TYR -2.62 0.42 1 112 GLU 1.13 -0.82 1 115 ALA 1.41 0.71 1 116 VAL -3.35 -1.30 1 117 LEU 0.65 -1.29 1 119 HIS -0.95 -1.82 1 120 ASP -4.55 -1.83 1 121 GLU 2.62 1.26 1 122 ALA 4.41 2.16 1 123 ALA 3.01 1.35 1 124 TYR 2.94 3.93 1 125 SER 4.02 2.33 1 126 LYS 0.51 -0.05 1 127 ASN 0.42 1.46 1 128 ARG -0.80 -3.06 1 129 ARG -4.15 -2.69 1 130 ALA -5.16 -3.04 1 131 VAL -3.38 -1.67 1 133 ALA -0.31 -1.71 1 stop_ save_