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 bmr6297_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.22 _LACS_plot.Line_1_terminator_val_y_1 -2.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.14 _LACS_plot.Line_2_terminator_val_x_2 9.45 _LACS_plot.Line_2_terminator_val_y_2 7.23 _LACS_plot.Y_axis_chem_shift_offset -0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 114 MET -3.51 1.13 0 74 THR 0.07 -2.16 0 48 ASN -6.71 -0.95 0 10 SER 0.11 0.47 1 11 TYR 5.46 4.75 1 12 SER 5.50 3.88 1 13 GLN 4.09 3.57 1 14 ARG 3.32 3.83 1 15 GLN 3.63 2.90 1 16 ASP 5.03 3.65 1 17 HIS 3.17 4.25 1 18 GLU 3.54 3.36 1 19 LEU 5.11 4.03 1 20 GLN 4.32 3.30 1 21 ALA 3.40 2.57 1 22 LEU 1.83 2.73 1 23 GLU 3.93 3.15 1 24 ALA 3.31 2.41 1 25 ILE 1.55 1.16 1 26 TYR 2.36 3.34 1 28 SER 3.11 2.41 1 29 ASP 2.04 2.04 1 30 PHE -2.47 -0.85 1 31 GLN -4.27 -1.10 1 32 ASP -1.26 -1.35 1 33 LEU 0.99 -0.35 1 34 ARG 1.03 1.30 1 36 ASP 0.35 0.30 1 37 ALA 0.35 0.59 1 38 ARG 1.38 0.37 1 40 ARG 0.31 0.45 1 41 VAL 0.37 0.09 1 42 ARG 0.19 0.36 1 43 GLU -0.70 -0.05 1 46 GLU -2.62 -0.90 1 47 ILE -7.22 -3.16 1 49 LEU -5.68 -2.29 1 50 VAL 2.71 1.14 1 51 LEU -4.69 -1.35 1 52 TYR -1.82 -0.55 1 54 GLN -0.26 0.22 1 56 LEU -1.34 -0.66 1 57 ALA 0.59 0.34 1 59 GLU -0.33 -0.04 1 60 GLU -0.44 -0.18 1 61 VAL -0.22 0.00 1 62 TYR -0.73 0.73 1 63 VAL -6.54 -3.90 1 64 GLN -3.90 -0.19 1 65 VAL -1.88 -0.51 1 66 GLU -1.98 -2.08 1 67 LEU -4.27 -1.52 1 68 ARG -3.41 -2.83 1 69 VAL -4.31 -1.84 1 70 LYS -3.68 -1.29 1 75 TYR 1.41 1.34 1 77 ASP 3.75 2.91 1 78 VAL -4.71 -2.93 1 79 VAL 2.46 0.38 1 81 GLU -1.29 -0.44 1 82 ILE -4.21 -0.93 1 83 ASP -5.38 -1.49 1 84 LEU -4.28 -2.28 1 85 LYS -6.36 -2.72 1 86 ASN 2.40 0.27 1 87 ALA -0.66 0.17 1 88 LYS -3.23 -0.81 1 90 LEU -6.40 -2.37 1 91 SER -2.40 -1.21 1 92 ASN 4.37 3.54 1 93 GLU 4.65 3.74 1 94 SER 5.70 4.74 1 95 VAL 6.77 5.30 1 96 ASN 4.02 3.03 1 97 LEU 3.28 2.87 1 98 LEU 5.09 2.41 1 99 LYS 5.64 4.95 1 100 SER 4.39 3.52 1 101 HIS 1.87 3.57 1 102 LEU 2.93 2.53 1 103 GLU 3.79 3.48 1 104 GLU 2.95 2.52 1 105 LEU 3.06 2.79 1 106 ALA 3.03 2.44 1 107 LYS 4.14 3.63 1 108 LYS 2.94 2.57 1 109 GLN -1.34 -0.60 1 112 GLU -5.65 -2.76 1 113 VAL 5.44 1.96 1 115 ILE 9.46 6.59 1 116 PHE 7.48 5.95 1 117 GLU 4.84 3.64 1 118 LEU 3.92 3.22 1 119 ALA 3.91 2.80 1 120 HIS 3.52 4.10 1 121 HIS 4.72 5.83 1 122 VAL 7.03 5.10 1 123 GLN 4.96 4.74 1 124 SER 4.79 3.68 1 125 PHE 3.66 3.80 1 126 LEU 4.32 2.91 1 127 SER 5.50 4.55 1 128 GLU 2.19 1.65 1 129 HIS 1.34 2.58 1 130 ASN 1.74 1.61 1 131 LYS -1.02 -0.24 1 132 SER 0.02 0.01 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6297_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.22 _LACS_plot.Line_1_terminator_val_y_1 4.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.98 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.86 _LACS_plot.Line_2_terminator_val_x_2 9.45 _LACS_plot.Line_2_terminator_val_y_2 -2.22 _LACS_plot.Y_axis_chem_shift_offset -0.25 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 114 MET -3.51 4.64 0 74 THR 0.07 -2.23 0 48 ASN -6.71 5.76 0 10 SER 0.11 0.36 1 11 TYR 5.46 -0.71 1 12 SER 5.50 -1.62 1 13 GLN 4.09 -0.52 1 14 ARG 3.32 0.51 1 15 GLN 3.63 -0.73 1 16 ASP 5.03 -1.38 1 17 HIS 3.17 1.08 1 18 GLU 3.54 -0.18 1 19 LEU 5.11 -1.08 1 20 GLN 4.32 -1.02 1 21 ALA 3.40 -0.83 1 22 LEU 1.83 0.90 1 23 GLU 3.93 -0.78 1 24 ALA 3.31 -0.90 1 25 ILE 1.55 -0.39 1 26 TYR 2.36 0.98 1 28 SER 3.11 -0.70 1 29 ASP 2.04 0.00 1 30 PHE -2.47 1.62 1 31 GLN -4.27 3.17 1 32 ASP -1.26 -0.09 1 33 LEU 0.99 -1.34 1 34 ARG 1.03 0.27 1 36 ASP 0.35 -0.05 1 37 ALA 0.35 0.24 1 38 ARG 1.38 -1.01 1 40 ARG 0.31 0.14 1 41 VAL 0.37 -0.28 1 42 ARG 0.19 0.17 1 43 GLU -0.70 0.65 1 46 GLU -2.62 1.72 1 47 ILE -7.22 4.06 1 49 LEU -5.68 3.39 1 50 VAL 2.71 -1.57 1 51 LEU -4.69 3.34 1 52 TYR -1.82 1.27 1 54 GLN -0.26 0.48 1 56 LEU -1.34 0.68 1 57 ALA 0.59 -0.25 1 59 GLU -0.33 0.29 1 60 GLU -0.44 0.26 1 61 VAL -0.22 0.22 1 62 TYR -0.73 1.46 1 63 VAL -6.54 2.64 1 64 GLN -3.90 3.71 1 65 VAL -1.88 1.37 1 66 GLU -1.98 -0.10 1 67 LEU -4.27 2.75 1 68 ARG -3.41 0.58 1 69 VAL -4.31 2.47 1 70 LYS -3.68 2.39 1 75 TYR 1.41 -0.07 1 77 ASP 3.75 -0.84 1 78 VAL -4.71 1.78 1 79 VAL 2.46 -2.08 1 81 GLU -1.29 0.85 1 82 ILE -4.21 3.28 1 83 ASP -5.38 3.89 1 84 LEU -4.28 2.00 1 85 LYS -6.36 3.64 1 86 ASN 2.40 -2.13 1 87 ALA -0.66 0.83 1 88 LYS -3.23 2.42 1 90 LEU -6.40 4.03 1 91 SER -2.40 1.19 1 92 ASN 4.37 -0.83 1 93 GLU 4.65 -0.91 1 94 SER 5.70 -0.96 1 95 VAL 6.77 -1.47 1 96 ASN 4.02 -0.99 1 97 LEU 3.28 -0.41 1 98 LEU 5.09 -2.68 1 99 LYS 5.64 -0.69 1 100 SER 4.39 -0.87 1 101 HIS 1.87 1.70 1 102 LEU 2.93 -0.40 1 103 GLU 3.79 -0.31 1 104 GLU 2.95 -0.43 1 105 LEU 3.06 -0.27 1 106 ALA 3.03 -0.59 1 107 LYS 4.14 -0.51 1 108 LYS 2.94 -0.37 1 109 GLN -1.34 0.74 1 112 GLU -5.65 2.89 1 113 VAL 5.44 -3.48 1 115 ILE 9.46 -2.87 1 116 PHE 7.48 -1.53 1 117 GLU 4.84 -1.20 1 118 LEU 3.92 -0.70 1 119 ALA 3.91 -1.11 1 120 HIS 3.52 0.58 1 121 HIS 4.72 1.11 1 122 VAL 7.03 -1.93 1 123 GLN 4.96 -0.22 1 124 SER 4.79 -1.11 1 125 PHE 3.66 0.14 1 126 LEU 4.32 -1.41 1 127 SER 5.50 -0.95 1 128 GLU 2.19 -0.54 1 129 HIS 1.34 1.24 1 130 ASN 1.74 -0.13 1 131 LYS -1.02 0.78 1 132 SER 0.02 -0.01 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6297_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.22 _LACS_plot.Line_1_terminator_val_y_1 0.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.19 _LACS_plot.Line_2_terminator_val_x_2 9.45 _LACS_plot.Line_2_terminator_val_y_2 -0.75 _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 74 THR 0.07 -0.95 0 10 SER 0.11 -0.11 1 11 TYR 5.46 -0.29 1 12 SER 5.50 -0.55 1 13 GLN 4.09 -0.22 1 14 ARG 3.32 -0.18 1 15 GLN 3.63 0.07 1 16 ASP 5.03 -0.11 1 17 HIS 3.17 -0.24 1 18 GLU 3.54 -0.02 1 19 LEU 5.11 -0.39 1 20 GLN 4.32 -0.28 1 21 ALA 3.40 -0.06 1 22 LEU 1.83 -0.31 1 23 GLU 3.93 -0.93 1 24 ALA 3.31 -0.20 1 25 ILE 1.55 -0.20 1 26 TYR 2.36 -0.06 1 28 SER 3.11 0.05 1 29 ASP 2.04 0.22 1 30 PHE -2.47 0.50 1 31 GLN -4.27 -0.10 1 32 ASP -1.26 -0.08 1 33 LEU 0.99 -0.13 1 34 ARG 1.03 -0.19 1 36 ASP 0.35 -0.13 1 37 ALA 0.35 -0.06 1 38 ARG 1.38 -0.03 1 40 ARG 0.31 -0.01 1 41 VAL 0.37 -0.03 1 42 ARG 0.19 -0.01 1 43 GLU -0.70 0.06 1 46 GLU -2.62 0.83 1 47 ILE -7.22 0.94 1 48 ASN -6.71 0.78 1 49 LEU -5.68 0.96 1 50 VAL 2.71 -0.20 1 51 LEU -4.69 0.36 1 52 TYR -1.82 0.15 1 54 GLN -0.26 0.01 1 56 LEU -1.34 0.12 1 57 ALA 0.59 -0.15 1 59 GLU -0.33 -0.05 1 60 GLU -0.44 -0.22 1 61 VAL -0.22 -0.08 1 62 TYR -0.73 0.10 1 63 VAL -6.54 1.07 1 64 GLN -3.90 0.58 1 65 VAL -1.88 0.23 1 66 GLU -1.98 0.92 1 67 LEU -4.27 0.43 1 68 ARG -3.41 1.08 1 69 VAL -4.31 0.83 1 70 LYS -3.68 0.71 1 75 TYR 1.41 -0.06 1 77 ASP 3.75 0.07 1 78 VAL -4.71 0.27 1 79 VAL 2.46 -0.22 1 81 GLU -1.29 0.05 1 82 ILE -4.21 0.65 1 83 ASP -5.38 0.22 1 84 LEU -4.28 1.14 1 85 LYS -6.36 0.34 1 86 ASN 2.40 -0.44 1 87 ALA -0.66 0.36 1 88 LYS -3.23 0.36 1 90 LEU -6.40 0.51 1 91 SER -2.40 0.04 1 92 ASN 4.37 -0.40 1 93 GLU 4.65 -0.25 1 94 SER 5.70 -0.36 1 95 VAL 6.77 -0.85 1 96 ASN 4.02 -0.33 1 97 LEU 3.28 -0.25 1 98 LEU 5.09 -0.72 1 99 LYS 5.64 -0.71 1 100 SER 4.39 -0.11 1 101 HIS 1.87 -0.27 1 102 LEU 2.93 -0.43 1 103 GLU 3.79 -0.45 1 104 GLU 2.95 -0.26 1 105 LEU 3.06 -0.30 1 106 ALA 3.03 0.02 1 107 LYS 4.14 -0.48 1 108 LYS 2.94 -0.17 1 109 GLN -1.34 -0.03 1 112 GLU -5.65 0.24 1 113 VAL 5.44 -0.20 1 114 MET -3.51 0.95 1 115 ILE 9.46 -0.65 1 116 PHE 7.48 -0.54 1 117 GLU 4.84 -0.19 1 118 LEU 3.92 -0.33 1 119 ALA 3.91 -0.54 1 120 HIS 3.52 -0.27 1 121 HIS 4.72 -0.50 1 122 VAL 7.03 -0.53 1 123 GLN 4.96 -0.47 1 124 SER 4.79 -0.20 1 125 PHE 3.66 -0.29 1 126 LEU 4.32 -0.39 1 127 SER 5.50 -0.25 1 128 GLU 2.19 -0.28 1 129 HIS 1.34 -0.37 1 130 ASN 1.74 0.10 1 131 LYS -1.02 0.08 1 132 SER 0.02 -0.31 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6297_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.22 _LACS_plot.Line_1_terminator_val_y_1 -3.21 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.04 _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 7.47 _LACS_plot.Line_2_terminator_val_y_2 3.47 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 65 VAL -1.88 -6.13 0 10 SER 0.11 1.37 1 11 TYR 5.46 2.64 1 12 SER 5.50 1.45 1 13 GLN 4.09 2.84 1 14 ARG 3.32 4.18 1 15 GLN 3.63 2.20 1 16 ASP 5.03 1.93 1 17 HIS 3.17 4.22 1 18 GLU 3.54 1.39 1 19 LEU 5.11 2.02 1 20 GLN 4.32 2.97 1 21 ALA 3.40 2.62 1 22 LEU 1.83 1.41 1 23 GLU 3.93 2.50 1 24 ALA 3.31 1.76 1 25 ILE 1.55 1.56 1 26 TYR 2.36 2.07 1 29 ASP 2.04 -2.04 1 30 PHE -2.47 -2.24 1 31 GLN -4.27 -2.93 1 32 ASP -1.26 0.86 1 33 LEU 0.99 0.30 1 34 ARG 1.03 0.57 1 36 ASP 0.35 0.09 1 37 ALA 0.35 0.26 1 38 ARG 1.38 0.80 1 40 ARG 0.31 0.07 1 41 VAL 0.37 -0.77 1 42 ARG 0.19 -0.11 1 43 GLU -0.70 -1.70 1 46 GLU -2.62 -1.97 1 47 ILE -7.22 -3.19 1 48 ASN -6.71 -1.67 1 49 LEU -5.68 -2.41 1 50 VAL 2.71 -2.33 1 51 LEU -4.69 -4.05 1 52 TYR -1.82 -1.39 1 54 GLN -0.26 0.54 1 56 LEU -1.34 -0.66 1 57 ALA 0.59 0.61 1 59 GLU -0.33 -0.35 1 60 GLU -0.44 -1.28 1 61 VAL -0.22 -0.43 1 62 TYR -0.73 -0.54 1 63 VAL -6.54 -2.57 1 64 GLN -3.90 -2.82 1 66 GLU -1.98 -1.57 1 67 LEU -4.27 -4.73 1 68 ARG -3.41 -0.72 1 69 VAL -4.31 -2.32 1 70 LYS -3.68 -0.72 1 74 THR 0.07 -0.17 1 77 ASP 3.75 -0.66 1 78 VAL -4.71 -1.96 1 79 VAL 2.46 -1.41 1 81 GLU -1.29 -0.34 1 82 ILE -4.21 -2.06 1 83 ASP -5.38 -2.51 1 84 LEU -4.28 -1.76 1 85 LYS -6.36 -2.09 1 86 ASN 2.40 -0.64 1 87 ALA -0.66 0.19 1 88 LYS -3.23 -0.22 1 90 LEU -6.40 -1.19 1 91 SER -2.40 0.21 1 92 ASN 4.37 2.48 1 93 GLU 4.65 2.89 1 94 SER 5.70 1.02 1 95 VAL 6.77 0.89 1 96 ASN 4.02 3.21 1 97 LEU 3.28 1.06 1 98 LEU 5.09 0.53 1 99 LYS 5.64 1.46 1 101 HIS 1.87 5.03 1 102 LEU 2.93 0.76 1 103 GLU 3.79 3.36 1 104 GLU 2.95 2.41 1 105 LEU 3.06 1.04 1 106 ALA 3.03 1.37 1 107 LYS 4.14 3.11 1 108 LYS 2.94 1.68 1 109 GLN -1.34 -1.06 1 112 GLU -5.65 -2.47 1 113 VAL 5.44 1.63 1 114 MET -3.51 0.03 1 116 PHE 7.48 2.33 1 117 GLU 4.84 3.62 1 118 LEU 3.92 0.72 1 119 ALA 3.91 2.02 1 120 HIS 3.52 4.39 1 121 HIS 4.72 4.62 1 122 VAL 7.03 1.34 1 123 GLN 4.96 3.20 1 124 SER 4.79 4.63 1 125 PHE 3.66 3.21 1 126 LEU 4.32 1.49 1 127 SER 5.50 1.81 1 128 GLU 2.19 0.85 1 129 HIS 1.34 0.93 1 130 ASN 1.74 -0.70 1 131 LYS -1.02 -0.75 1 132 SER 0.02 1.25 1 stop_ save_