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 bmr6759_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.02 _LACS_plot.Line_1_terminator_val_y_1 -3.68 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.51 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.39 _LACS_plot.Line_2_terminator_val_x_2 4.92 _LACS_plot.Line_2_terminator_val_y_2 2.71 _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 40 GLN 2.62 5.38 0 10 ILE 4.93 1.41 1 11 LYS 1.47 -0.04 1 12 ASP -0.68 -0.79 1 14 ALA 2.45 1.36 1 15 LEU -1.50 -1.07 1 16 GLU 1.26 0.93 1 17 ASN 2.80 1.02 1 18 LYS 0.31 0.27 1 19 GLU 1.60 0.97 1 20 HIS 0.02 -0.95 1 21 ASP -0.63 -1.90 1 22 ILE -0.39 -0.68 1 25 ARG -3.21 -2.22 1 26 GLU -5.77 -2.97 1 27 GLN -1.58 -0.58 1 28 VAL -2.95 -0.72 1 29 ASN -0.51 1.27 1 30 PHE -4.45 -1.62 1 31 GLN -6.34 -2.22 1 32 LEU -3.87 -1.91 1 33 LEU -6.61 -2.65 1 34 ASP -3.37 -3.01 1 35 LYS 3.55 1.89 1 36 ASN -0.62 -0.95 1 37 ASN 4.43 2.17 1 38 GLU -3.47 -2.67 1 39 THR 3.99 2.82 1 41 TYR -2.14 -0.83 1 42 TYR 0.65 1.75 1 46 SER -1.44 -0.19 1 47 ILE -0.09 -0.77 1 48 LYS 1.84 1.81 1 49 ASP -5.14 -2.57 1 51 ALA -2.28 -1.63 1 52 ASP -3.00 -0.14 1 53 VAL -0.79 -1.32 1 54 TYR -1.27 -0.41 1 55 TYR -2.11 -2.71 1 56 THR -3.43 -1.71 1 57 LYS 2.08 0.54 1 58 LYS 0.97 0.62 1 59 LYS -3.69 -1.27 1 60 ALA 1.17 -0.11 1 61 GLU -5.02 -2.89 1 62 VAL 0.17 -0.62 1 63 GLU -7.77 -3.41 1 64 LEU -4.17 -3.10 1 65 ASP -2.56 -2.20 1 66 ILE -1.74 -1.16 1 67 ASN -0.90 -1.87 1 68 THR 1.01 -0.61 1 69 ALA 2.55 3.35 1 70 SER 0.91 2.21 1 71 THR -0.90 -1.10 1 72 TRP -0.77 0.36 1 73 LYS -0.02 -0.34 1 74 LYS 0.13 -0.12 1 75 PHE 2.48 2.56 1 76 GLU -7.11 -3.12 1 77 VAL -2.28 -1.66 1 78 TYR -4.70 -1.89 1 79 GLU -6.51 -2.60 1 80 ASN 3.68 1.57 1 81 ASN 3.38 1.46 1 82 GLN -2.11 -2.07 1 83 LYS 1.61 1.14 1 84 LEU -1.45 -1.10 1 86 VAL -0.45 -0.36 1 87 ARG -4.77 -2.76 1 88 LEU -0.38 -0.58 1 89 VAL -0.55 -1.33 1 90 SER 1.94 -0.43 1 91 TYR -4.56 -1.95 1 92 SER -3.75 -3.10 1 94 VAL 2.79 2.82 1 96 GLU 3.72 2.52 1 97 ASP 1.75 0.55 1 98 HIS -3.66 -1.42 1 99 ALA -6.46 -3.14 1 100 TYR -1.48 -2.27 1 101 ILE -5.54 -3.59 1 102 ARG -8.02 -2.56 1 103 PHE -1.61 -2.55 1 105 VAL -5.16 -2.73 1 106 SER 1.94 0.83 1 107 ASP 2.33 0.62 1 109 THR 4.00 3.11 1 110 GLN -2.92 -0.25 1 111 GLU -6.09 -2.87 1 112 LEU -6.47 -2.58 1 113 LYS -3.43 -1.90 1 114 ILE -4.48 -2.34 1 115 VAL -0.20 0.12 1 116 SER -6.76 -1.91 1 117 SER -4.07 -1.10 1 118 THR -5.18 -3.39 1 119 GLN -1.28 0.80 1 120 ILE 0.67 -0.59 1 121 ASP 3.88 0.73 1 122 ASP 0.78 -0.79 1 124 GLU -0.05 -0.22 1 125 GLU -2.14 -1.56 1 126 THR 1.32 0.00 1 127 ASN -0.42 0.61 1 130 TYR 0.27 1.48 1 131 THR -3.46 -2.83 1 132 LYS -2.49 -1.82 1 133 LEU -2.46 -1.39 1 134 VAL -3.03 -2.41 1 135 PHE -0.41 1.15 1 136 ALA 0.86 1.09 1 137 LYS -1.56 -1.53 1 139 ILE 0.56 -2.05 1 140 TYR -3.51 -0.63 1 141 ASN -0.84 -0.51 1 142 ASP -1.56 -2.25 1 144 SER 0.65 0.58 1 145 LEU 0.96 1.24 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6759_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.02 _LACS_plot.Line_1_terminator_val_y_1 4.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.49 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.61 _LACS_plot.Line_2_terminator_val_x_2 4.92 _LACS_plot.Line_2_terminator_val_y_2 -2.21 _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 40 GLN 2.62 2.76 0 10 ILE 4.93 -3.52 1 11 LYS 1.47 -1.51 1 12 ASP -0.68 -0.11 1 14 ALA 2.45 -1.09 1 15 LEU -1.50 0.43 1 16 GLU 1.26 -0.33 1 17 ASN 2.80 -1.78 1 18 LYS 0.31 -0.04 1 19 GLU 1.60 -0.63 1 20 HIS 0.02 -0.97 1 21 ASP -0.63 -1.27 1 22 ILE -0.39 -0.29 1 25 ARG -3.21 0.99 1 26 GLU -5.77 2.80 1 27 GLN -1.58 1.00 1 28 VAL -2.95 2.23 1 29 ASN -0.51 1.78 1 30 PHE -4.45 2.83 1 31 GLN -6.34 4.12 1 32 LEU -3.87 1.96 1 33 LEU -6.61 3.96 1 34 ASP -3.37 0.36 1 35 LYS 3.55 -1.66 1 36 ASN -0.62 -0.33 1 37 ASN 4.43 -2.26 1 38 GLU -3.47 0.80 1 39 THR 3.99 -1.17 1 41 TYR -2.14 1.31 1 42 TYR 0.65 1.10 1 46 SER -1.44 1.25 1 47 ILE -0.09 -0.68 1 48 LYS 1.84 -0.03 1 49 ASP -5.14 2.57 1 51 ALA -2.28 0.65 1 52 ASP -3.00 2.86 1 53 VAL -0.79 -0.53 1 54 TYR -1.27 0.86 1 55 TYR -2.11 -0.60 1 56 THR -3.43 1.72 1 57 LYS 2.08 -1.54 1 58 LYS 0.97 -0.35 1 59 LYS -3.69 2.42 1 60 ALA 1.17 -1.28 1 61 GLU -5.02 2.13 1 62 VAL 0.17 -0.79 1 63 GLU -7.77 4.36 1 64 LEU -4.17 1.07 1 65 ASP -2.56 0.36 1 66 ILE -1.74 0.58 1 67 ASN -0.90 -0.97 1 68 THR 1.01 -1.62 1 69 ALA 2.55 0.80 1 70 SER 0.91 1.30 1 71 THR -0.90 -0.20 1 72 TRP -0.77 1.13 1 73 LYS -0.02 -0.32 1 74 LYS 0.13 -0.25 1 75 PHE 2.48 0.08 1 76 GLU -7.11 3.99 1 77 VAL -2.28 0.62 1 78 TYR -4.70 2.81 1 79 GLU -6.51 3.91 1 80 ASN 3.68 -2.11 1 81 ASN 3.38 -1.92 1 82 GLN -2.11 0.04 1 83 LYS 1.61 -0.47 1 84 LEU -1.45 0.35 1 86 VAL -0.45 0.09 1 87 ARG -4.77 2.01 1 88 LEU -0.38 -0.20 1 89 VAL -0.55 -0.78 1 90 SER 1.94 -2.37 1 91 TYR -4.56 2.61 1 92 SER -3.75 0.65 1 94 VAL 2.79 0.03 1 96 GLU 3.72 -1.20 1 97 ASP 1.75 -1.20 1 98 HIS -3.66 2.24 1 99 ALA -6.46 3.32 1 100 TYR -1.48 -0.79 1 101 ILE -5.54 1.95 1 102 ARG -8.02 5.46 1 103 PHE -1.61 -0.94 1 105 VAL -5.16 2.43 1 106 SER 1.94 -1.11 1 107 ASP 2.33 -1.71 1 109 THR 4.00 -0.89 1 110 GLN -2.92 2.67 1 111 GLU -6.09 3.22 1 112 LEU -6.47 3.89 1 113 LYS -3.43 1.53 1 114 ILE -4.48 2.14 1 115 VAL -0.20 0.32 1 116 SER -6.76 4.85 1 117 SER -4.07 2.97 1 118 THR -5.18 1.79 1 119 GLN -1.28 2.08 1 120 ILE 0.67 -1.26 1 121 ASP 3.88 -3.15 1 122 ASP 0.78 -1.57 1 124 GLU -0.05 -0.17 1 125 GLU -2.14 0.58 1 126 THR 1.32 -1.32 1 127 ASN -0.42 1.03 1 130 TYR 0.27 1.21 1 131 THR -3.46 0.63 1 132 LYS -2.49 0.67 1 133 LEU -2.46 1.07 1 134 VAL -3.03 0.62 1 135 PHE -0.41 1.56 1 136 ALA 0.86 0.23 1 137 LYS -1.56 0.03 1 139 ILE 0.56 -2.61 1 140 TYR -3.51 2.88 1 141 ASN -0.84 0.33 1 142 ASP -1.56 -0.69 1 144 SER 0.65 -0.07 1 145 LEU 0.96 0.28 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6759_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.02 _LACS_plot.Line_1_terminator_val_y_1 1.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.26 _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 4.92 _LACS_plot.Line_2_terminator_val_y_2 -0.65 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 GLN -1.58 1.12 0 49 ASP -5.14 -0.14 0 83 LYS 1.61 -1.08 0 76 GLU -7.11 0.21 0 102 ARG -8.02 1.73 0 10 ILE 4.93 -0.65 1 11 LYS 1.47 -0.28 1 12 ASP -0.68 -0.23 1 14 ALA 2.45 -0.18 1 15 LEU -1.50 -0.11 1 16 GLU 1.26 0.03 1 17 ASN 2.80 -0.27 1 18 LYS 0.31 -0.26 1 19 GLU 1.60 -0.27 1 20 HIS 0.02 -0.08 1 21 ASP -0.63 0.31 1 22 ILE -0.39 -0.03 1 25 ARG -3.21 0.43 1 26 GLU -5.77 0.21 1 28 VAL -2.95 0.30 1 29 ASN -0.51 0.42 1 30 PHE -4.45 0.80 1 31 GLN -6.34 0.46 1 32 LEU -3.87 0.92 1 33 LEU -6.61 0.78 1 34 ASP -3.37 0.20 1 35 LYS 3.55 -0.51 1 36 ASN -0.62 0.09 1 37 ASN 4.43 -0.44 1 38 GLU -3.47 0.14 1 39 THR 3.99 -0.54 1 41 TYR -2.14 -0.18 1 42 TYR 0.65 -0.27 1 46 SER -1.44 0.14 1 47 ILE -0.09 0.59 1 48 LYS 1.84 -0.44 1 51 ALA -2.28 0.68 1 52 ASP -3.00 0.39 1 53 VAL -0.79 0.22 1 54 TYR -1.27 -0.33 1 55 TYR -2.11 0.75 1 56 THR -3.43 0.57 1 57 LYS 2.08 -0.03 1 58 LYS 0.97 0.07 1 59 LYS -3.69 0.35 1 60 ALA 1.17 0.17 1 61 GLU -5.02 0.60 1 62 VAL 0.17 -0.10 1 63 GLU -7.77 1.42 1 64 LEU -4.17 0.97 1 65 ASP -2.56 -0.11 1 66 ILE -1.74 -0.17 1 67 ASN -0.90 -0.49 1 68 THR 1.01 -0.27 1 69 ALA 2.55 -0.38 1 70 SER 0.91 -0.50 1 71 THR -0.90 0.34 1 72 TRP -0.77 -0.04 1 73 LYS -0.02 0.43 1 74 LYS 0.13 -0.03 1 75 PHE 2.48 -0.53 1 77 VAL -2.28 0.38 1 78 TYR -4.70 0.50 1 80 ASN 3.68 -0.44 1 81 ASN 3.38 -0.46 1 82 GLN -2.11 0.29 1 84 LEU -1.45 -0.07 1 86 VAL -0.45 0.40 1 87 ARG -4.77 0.57 1 88 LEU -0.38 0.28 1 89 VAL -0.55 0.35 1 90 SER 1.94 0.22 1 91 TYR -4.56 0.97 1 92 SER -3.75 0.28 1 94 VAL 2.79 -0.82 1 96 GLU 3.72 -0.06 1 97 ASP 1.75 -0.21 1 98 HIS -3.66 0.88 1 99 ALA -6.46 0.57 1 100 TYR -1.48 0.88 1 101 ILE -5.54 1.35 1 103 PHE -1.61 0.25 1 105 VAL -5.16 0.51 1 106 SER 1.94 -0.14 1 107 ASP 2.33 -0.02 1 109 THR 4.00 -0.46 1 110 GLN -2.92 0.42 1 111 GLU -6.09 1.37 1 112 LEU -6.47 0.61 1 113 LYS -3.43 0.49 1 114 ILE -4.48 0.90 1 115 VAL -0.20 0.02 1 116 SER -6.76 0.75 1 117 SER -4.07 1.19 1 118 THR -5.18 0.74 1 119 GLN -1.28 -0.13 1 120 ILE 0.67 -0.14 1 122 ASP 0.78 -0.07 1 124 GLU -0.05 -0.26 1 125 GLU -2.14 0.47 1 126 THR 1.32 -0.20 1 127 ASN -0.42 -0.20 1 130 TYR 0.27 -0.28 1 131 THR -3.46 -0.08 1 132 LYS -2.49 0.31 1 133 LEU -2.46 0.71 1 134 VAL -3.03 0.64 1 135 PHE -0.41 0.39 1 136 ALA 0.86 -0.26 1 137 LYS -1.56 0.09 1 139 ILE 0.56 -0.48 1 140 TYR -3.51 0.05 1 141 ASN -0.84 -0.23 1 142 ASP -1.56 -0.18 1 144 SER 0.65 -0.20 1 145 LEU 0.96 -0.33 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6759_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.02 _LACS_plot.Line_1_terminator_val_y_1 -1.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.00 _LACS_plot.Line_2_terminator_val_x_2 4.92 _LACS_plot.Line_2_terminator_val_y_2 -0.21 _LACS_plot.Y_axis_chem_shift_offset 0.78 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 40 GLN 2.62 -4.64 0 20 HIS 0.02 4.38 0 10 ILE 4.93 -1.46 1 11 LYS 1.47 0.05 1 12 ASP -0.68 1.65 1 14 ALA 2.45 1.55 1 15 LEU -1.50 0.32 1 16 GLU 1.26 0.66 1 17 ASN 2.80 -0.75 1 18 LYS 0.31 1.27 1 19 GLU 1.60 -0.72 1 21 ASP -0.63 -0.39 1 22 ILE -0.39 -0.19 1 25 ARG -3.21 -1.51 1 26 GLU -5.77 -2.58 1 27 GLN -1.58 0.46 1 28 VAL -2.95 -1.72 1 29 ASN -0.51 -0.93 1 31 GLN -6.34 -1.11 1 32 LEU -3.87 -2.16 1 34 ASP -3.37 2.21 1 35 LYS 3.55 -0.19 1 36 ASN -0.62 -0.48 1 39 THR 3.99 -1.44 1 46 SER -1.44 -1.12 1 47 ILE -0.09 -1.11 1 48 LYS 1.84 -2.52 1 49 ASP -5.14 0.67 1 51 ALA -2.28 -1.65 1 52 ASP -3.00 -2.70 1 53 VAL -0.79 -2.28 1 54 TYR -1.27 -1.87 1 55 TYR -2.11 1.70 1 56 THR -3.43 0.00 1 57 LYS 2.08 0.77 1 58 LYS 0.97 -2.52 1 59 LYS -3.69 0.34 1 60 ALA 1.17 -0.87 1 61 GLU -5.02 -1.36 1 62 VAL 0.17 -1.05 1 64 LEU -4.17 -3.38 1 65 ASP -2.56 -0.70 1 67 ASN -0.90 -0.22 1 68 THR 1.01 2.29 1 69 ALA 2.55 -2.43 1 70 SER 0.91 0.45 1 71 THR -0.90 -0.50 1 72 TRP -0.77 -1.74 1 73 LYS -0.02 -2.17 1 74 LYS 0.13 -0.21 1 76 GLU -7.11 -1.64 1 77 VAL -2.28 -3.05 1 78 TYR -4.70 -0.75 1 82 GLN -2.11 -1.35 1 83 LYS 1.61 0.29 1 84 LEU -1.45 -0.10 1 86 VAL -0.45 -0.24 1 87 ARG -4.77 -1.99 1 88 LEU -0.38 -0.97 1 89 VAL -0.55 -0.46 1 90 SER 1.94 -2.95 1 91 TYR -4.56 -2.06 1 96 GLU 3.72 -0.38 1 97 ASP 1.75 -0.53 1 98 HIS -3.66 -0.82 1 99 ALA -6.46 -4.29 1 100 TYR -1.48 -0.24 1 101 ILE -5.54 -1.75 1 102 ARG -8.02 -0.22 1 103 PHE -1.61 -2.98 1 105 VAL -5.16 -1.46 1 106 SER 1.94 -0.81 1 107 ASP 2.33 2.29 1 109 THR 4.00 -1.73 1 110 GLN -2.92 -2.64 1 111 GLU -6.09 -1.92 1 112 LEU -6.47 -2.38 1 113 LYS -3.43 -2.12 1 116 SER -6.76 -1.34 1 117 SER -4.07 -1.84 1 118 THR -5.18 -0.91 1 122 ASP 0.78 0.60 1 124 GLU -0.05 0.08 1 125 GLU -2.14 -0.21 1 126 THR 1.32 -1.65 1 130 TYR 0.27 -2.18 1 131 THR -3.46 -3.36 1 132 LYS -2.49 -2.97 1 133 LEU -2.46 -3.81 1 134 VAL -3.03 1.11 1 135 PHE -0.41 1.18 1 136 ALA 0.86 -0.93 1 139 ILE 0.56 -1.72 1 140 TYR -3.51 -0.42 1 141 ASN -0.84 -0.17 1 144 SER 0.65 1.99 1 stop_ save_