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 bmr34110_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.47 _LACS_plot.Line_1_terminator_val_y_1 -3.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.67 _LACS_plot.Line_2_terminator_val_x_2 5.88 _LACS_plot.Line_2_terminator_val_y_2 4.20 _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 88 VAL 3.60 -0.20 0 10 HIS 0.04 0.49 1 11 SER 0.44 -0.10 1 12 GLN -0.11 -0.30 1 13 ASP 0.02 -0.06 1 15 MET 0.94 0.01 1 16 GLU 0.11 0.09 1 17 ASN 0.07 -0.20 1 18 GLN 0.08 -0.20 1 20 LYS -0.58 -0.55 1 21 LEU -0.93 -1.55 1 22 ASN 0.06 1.11 1 23 SER -3.52 -1.56 1 24 SER 4.11 3.72 1 25 LYS 4.96 3.65 1 26 GLU 2.28 2.31 1 28 ILE 5.69 3.90 1 29 ALA 4.27 2.64 1 30 PHE 3.59 2.54 1 31 LEU 5.07 2.32 1 32 ALA 2.78 1.22 1 33 GLU 1.38 1.05 1 34 ARG 1.09 -0.19 1 35 PHE -0.11 -1.22 1 37 HIS 0.59 -0.50 1 39 PHE -1.04 -0.32 1 40 SER -3.88 -2.33 1 41 ALA 0.09 0.31 1 42 GLU -4.37 -2.20 1 44 GLU 0.55 0.62 1 45 ALA -3.39 -2.06 1 46 ARG -1.77 -1.06 1 48 LEU -3.04 -1.41 1 49 LYS -1.69 0.31 1 50 ILE 4.04 1.34 1 52 ILE 2.43 1.31 1 53 PHE 5.23 4.17 1 54 GLN 4.01 2.24 1 55 ASP 4.10 2.44 1 56 LEU 2.43 2.46 1 57 VAL 5.81 3.94 1 58 ASP 3.30 2.61 1 59 ARG 1.17 1.56 1 60 VAL -1.39 -0.44 1 61 ALA 3.63 2.46 1 63 GLU 1.02 0.97 1 64 MET -0.07 -0.74 1 65 ASN 2.32 0.65 1 66 LEU -1.67 -0.59 1 67 SER -4.75 -2.72 1 68 LYS 5.88 4.82 1 69 THR 5.79 4.15 1 70 GLN 2.54 3.25 1 71 LEU 3.20 2.80 1 72 ARG 4.94 3.59 1 73 SER 4.78 3.26 1 74 ALA 3.53 2.53 1 75 LEU 3.63 2.59 1 76 ARG 4.37 2.98 1 77 LEU 3.78 2.71 1 78 TYR 3.70 4.16 1 79 THR 1.03 0.32 1 80 SER -0.71 -0.70 1 81 SER -0.90 -0.54 1 82 TRP 4.70 2.81 1 83 ARG 4.73 2.63 1 84 TYR 2.87 3.18 1 85 LEU 3.31 2.55 1 86 TYR 2.76 1.69 1 89 LYS -2.08 -1.56 1 92 ALA -1.20 -0.49 1 93 THR -1.50 -0.72 1 94 ARG -1.05 -0.91 1 95 VAL -6.47 -3.51 1 96 ASP -3.69 -3.70 1 97 LEU 3.75 2.43 1 98 ASP -1.42 -0.20 1 100 ASN 1.54 0.10 1 104 GLU -2.84 -1.38 1 105 LEU -0.61 -0.87 1 106 ASP -2.91 -2.11 1 107 GLU 3.25 2.51 1 108 GLN 4.40 2.75 1 109 HIS 4.10 4.49 1 110 VAL 4.60 3.27 1 111 GLU 2.95 2.05 1 112 HIS 3.29 3.56 1 113 ALA 2.80 2.18 1 114 ARG 4.27 3.00 1 115 LYS 3.67 2.36 1 116 GLN 3.16 2.72 1 117 LEU 3.01 2.28 1 118 GLU 2.81 2.18 1 119 GLU 2.43 1.94 1 120 ALA 2.82 1.79 1 121 LYS 3.26 2.29 1 122 ALA 2.27 1.20 1 123 ARG 2.37 1.60 1 124 VAL 2.64 1.60 1 125 GLN 1.86 1.13 1 126 ALA 1.23 0.58 1 127 GLN 1.11 0.56 1 128 ARG 0.88 0.30 1 129 ALA 0.55 0.15 1 130 GLU 0.05 -0.03 1 131 GLN 0.10 -0.07 1 132 GLN -0.18 -0.23 1 133 ALA 0.57 1.11 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34110_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.47 _LACS_plot.Line_1_terminator_val_y_1 3.05 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.33 _LACS_plot.Line_2_terminator_val_x_2 5.88 _LACS_plot.Line_2_terminator_val_y_2 -1.68 _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 88 VAL 3.60 -3.80 0 10 HIS 0.04 0.45 1 11 SER 0.44 -0.54 1 12 GLN -0.11 -0.19 1 13 ASP 0.02 -0.08 1 15 MET 0.94 -0.93 1 16 GLU 0.11 -0.02 1 17 ASN 0.07 -0.27 1 18 GLN 0.08 -0.28 1 20 LYS -0.58 0.03 1 21 LEU -0.93 -0.62 1 22 ASN 0.06 1.05 1 23 SER -3.52 1.96 1 24 SER 4.11 -0.39 1 25 LYS 4.96 -1.31 1 26 GLU 2.28 0.03 1 28 ILE 5.69 -1.79 1 29 ALA 4.27 -1.63 1 30 PHE 3.59 -1.05 1 31 LEU 5.07 -2.75 1 32 ALA 2.78 -1.56 1 33 GLU 1.38 -0.33 1 34 ARG 1.09 -1.28 1 35 PHE -0.11 -1.11 1 37 HIS 0.59 -1.09 1 39 PHE -1.04 0.72 1 40 SER -3.88 1.55 1 41 ALA 0.09 0.22 1 42 GLU -4.37 2.17 1 44 GLU 0.55 0.07 1 45 ALA -3.39 1.33 1 46 ARG -1.77 0.71 1 48 LEU -3.04 1.63 1 49 LYS -1.69 2.00 1 50 ILE 4.04 -2.70 1 52 ILE 2.43 -1.12 1 53 PHE 5.23 -1.06 1 54 GLN 4.01 -1.77 1 55 ASP 4.10 -1.66 1 56 LEU 2.43 0.03 1 57 VAL 5.81 -1.87 1 58 ASP 3.30 -0.69 1 59 ARG 1.17 0.39 1 60 VAL -1.39 0.95 1 61 ALA 3.63 -1.17 1 63 GLU 1.02 -0.05 1 64 MET -0.07 -0.67 1 65 ASN 2.32 -1.67 1 66 LEU -1.67 1.08 1 67 SER -4.75 2.03 1 68 LYS 5.88 -1.06 1 69 THR 5.79 -1.64 1 70 GLN 2.54 0.71 1 71 LEU 3.20 -0.40 1 72 ARG 4.94 -1.35 1 73 SER 4.78 -1.52 1 74 ALA 3.53 -1.00 1 75 LEU 3.63 -1.04 1 76 ARG 4.37 -1.39 1 77 LEU 3.78 -1.07 1 78 TYR 3.70 0.46 1 79 THR 1.03 -0.71 1 80 SER -0.71 0.01 1 81 SER -0.90 0.36 1 82 TRP 4.70 -1.89 1 83 ARG 4.73 -2.10 1 84 TYR 2.87 0.31 1 85 LEU 3.31 -0.76 1 86 TYR 2.76 -1.07 1 89 LYS -2.08 0.52 1 92 ALA -1.20 0.71 1 93 THR -1.50 0.78 1 94 ARG -1.05 0.14 1 95 VAL -6.47 2.96 1 96 ASP -3.69 -0.01 1 97 LEU 3.75 -1.32 1 98 ASP -1.42 1.22 1 100 ASN 1.54 -1.44 1 104 GLU -2.84 1.46 1 105 LEU -0.61 -0.26 1 106 ASP -2.91 0.80 1 107 GLU 3.25 -0.74 1 108 GLN 4.40 -1.65 1 109 HIS 4.10 0.39 1 110 VAL 4.60 -1.33 1 111 GLU 2.95 -0.90 1 112 HIS 3.29 0.27 1 113 ALA 2.80 -0.62 1 114 ARG 4.27 -1.27 1 115 LYS 3.67 -1.31 1 116 GLN 3.16 -0.44 1 117 LEU 3.01 -0.73 1 118 GLU 2.81 -0.63 1 119 GLU 2.43 -0.49 1 120 ALA 2.82 -1.03 1 121 LYS 3.26 -0.97 1 122 ALA 2.27 -1.07 1 123 ARG 2.37 -0.77 1 124 VAL 2.64 -1.04 1 125 GLN 1.86 -0.73 1 126 ALA 1.23 -0.65 1 127 GLN 1.11 -0.55 1 128 ARG 0.88 -0.58 1 129 ALA 0.55 -0.40 1 130 GLU 0.05 -0.08 1 131 GLN 0.10 -0.17 1 132 GLN -0.18 -0.05 1 133 ALA 0.57 0.54 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34110_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.47 _LACS_plot.Line_1_terminator_val_y_1 0.49 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.14 _LACS_plot.Line_2_terminator_val_x_2 5.88 _LACS_plot.Line_2_terminator_val_y_2 -0.46 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 79 THR 1.03 -1.11 0 10 HIS 0.04 -0.07 1 11 SER 0.44 -0.05 1 12 GLN -0.11 0.03 1 13 ASP 0.02 -0.06 1 15 MET 0.94 -0.06 1 16 GLU 0.11 -0.12 1 17 ASN 0.07 -0.03 1 18 GLN 0.08 -0.05 1 20 LYS -0.58 0.01 1 21 LEU -0.93 0.12 1 22 ASN 0.06 -0.02 1 24 SER 4.11 -0.09 1 25 LYS 4.96 -0.32 1 26 GLU 2.28 -0.21 1 28 ILE 5.69 -0.78 1 29 ALA 4.27 -0.28 1 30 PHE 3.59 -0.25 1 31 LEU 5.07 -0.78 1 32 ALA 2.78 -0.19 1 33 GLU 1.38 -0.29 1 34 ARG 1.09 -0.64 1 35 PHE -0.11 0.40 1 37 HIS 0.59 0.11 1 39 PHE -1.04 -0.07 1 40 SER -3.88 0.36 1 41 ALA 0.09 0.08 1 42 GLU -4.37 0.09 1 44 GLU 0.55 -0.22 1 45 ALA -3.39 0.30 1 46 ARG -1.77 0.06 1 48 LEU -3.04 0.29 1 49 LYS -1.69 -0.59 1 50 ILE 4.04 -0.17 1 52 ILE 2.43 -0.14 1 53 PHE 5.23 -0.57 1 54 GLN 4.01 -0.75 1 55 ASP 4.10 -0.37 1 56 LEU 2.43 -0.54 1 57 VAL 5.81 -0.91 1 58 ASP 3.30 -0.28 1 59 ARG 1.17 0.06 1 60 VAL -1.39 0.54 1 61 ALA 3.63 -0.24 1 63 GLU 1.02 -0.10 1 64 MET -0.07 -0.22 1 65 ASN 2.32 -0.40 1 66 LEU -1.67 0.18 1 67 SER -4.75 0.29 1 68 LYS 5.88 -0.32 1 69 THR 5.79 -0.32 1 70 GLN 2.54 -0.20 1 71 LEU 3.20 -0.30 1 72 ARG 4.94 -0.54 1 73 SER 4.78 -0.28 1 74 ALA 3.53 -0.21 1 75 LEU 3.63 -0.29 1 76 ARG 4.37 -0.37 1 77 LEU 3.78 -0.27 1 78 TYR 3.70 -0.45 1 80 SER -0.71 0.22 1 81 SER -0.90 -0.03 1 82 TRP 4.70 -0.41 1 83 ARG 4.73 -0.36 1 84 TYR 2.87 -0.66 1 85 LEU 3.31 -0.41 1 86 TYR 2.76 -0.40 1 88 VAL 3.60 -0.50 1 92 ALA -1.20 0.13 1 93 THR -1.50 0.30 1 94 ARG -1.05 0.16 1 95 VAL -6.47 1.09 1 96 ASP -3.69 -0.09 1 97 LEU 3.75 -0.38 1 98 ASP -1.42 0.19 1 100 ASN 1.54 -0.17 1 104 GLU -2.84 0.44 1 105 LEU -0.61 -0.01 1 106 ASP -2.91 0.19 1 107 GLU 3.25 -0.34 1 108 GLN 4.40 -0.22 1 109 HIS 4.10 -0.33 1 110 VAL 4.60 -0.38 1 111 GLU 2.95 -0.20 1 112 HIS 3.29 -0.30 1 113 ALA 2.80 -0.06 1 114 ARG 4.27 -0.31 1 115 LYS 3.67 -0.21 1 116 GLN 3.16 -0.23 1 117 LEU 3.01 -0.35 1 118 GLU 2.81 -0.34 1 119 GLU 2.43 -0.23 1 120 ALA 2.82 -0.08 1 121 LYS 3.26 -0.23 1 122 ALA 2.27 -0.08 1 123 ARG 2.37 -0.08 1 124 VAL 2.64 -0.10 1 125 GLN 1.86 -0.10 1 126 ALA 1.23 -0.04 1 127 GLN 1.11 -0.06 1 128 ARG 0.88 -0.06 1 129 ALA 0.55 -0.02 1 130 GLU 0.05 -0.08 1 131 GLN 0.10 -0.01 1 132 GLN -0.18 0.00 1 133 ALA 0.57 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34110_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.47 _LACS_plot.Line_1_terminator_val_y_1 -2.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.81 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.59 _LACS_plot.Line_2_terminator_val_x_2 5.88 _LACS_plot.Line_2_terminator_val_y_2 2.16 _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 88 VAL 3.60 -3.31 0 10 HIS 0.04 0.42 1 11 SER 0.44 -0.37 1 12 GLN -0.11 -0.72 1 15 MET 0.94 0.49 1 16 GLU 0.11 -0.49 1 17 ASN 0.07 -0.63 1 20 LYS -0.58 -0.90 1 21 LEU -0.93 -1.01 1 22 ASN 0.06 -0.66 1 23 SER -3.52 0.39 1 24 SER 4.11 1.15 1 25 LYS 4.96 2.56 1 26 GLU 2.28 2.93 1 28 ILE 5.69 0.10 1 29 ALA 4.27 2.53 1 30 PHE 3.59 1.12 1 31 LEU 5.07 0.62 1 32 ALA 2.78 0.49 1 33 GLU 1.38 1.53 1 34 ARG 1.09 -0.22 1 37 HIS 0.59 -1.74 1 39 PHE -1.04 -2.01 1 40 SER -3.88 -0.06 1 41 ALA 0.09 -1.12 1 42 GLU -4.37 -1.40 1 44 GLU 0.55 -0.41 1 45 ALA -3.39 -2.20 1 48 LEU -3.04 0.15 1 49 LYS -1.69 -0.77 1 50 ILE 4.04 1.18 1 52 ILE 2.43 -1.23 1 53 PHE 5.23 0.03 1 54 GLN 4.01 1.43 1 55 ASP 4.10 1.74 1 56 LEU 2.43 0.52 1 57 VAL 5.81 2.17 1 58 ASP 3.30 1.81 1 59 ARG 1.17 1.95 1 60 VAL -1.39 -0.40 1 61 ALA 3.63 0.95 1 63 GLU 1.02 0.43 1 64 MET -0.07 -1.34 1 65 ASN 2.32 -0.77 1 66 LEU -1.67 -0.89 1 67 SER -4.75 0.74 1 68 LYS 5.88 2.18 1 69 THR 5.79 2.09 1 70 GLN 2.54 4.08 1 71 LEU 3.20 0.11 1 72 ARG 4.94 3.13 1 73 SER 4.78 2.02 1 74 ALA 3.53 0.86 1 75 LEU 3.63 1.66 1 76 ARG 4.37 2.10 1 77 LEU 3.78 1.82 1 78 TYR 3.70 2.12 1 79 THR 1.03 -0.76 1 80 SER -0.71 -0.84 1 81 SER -0.90 -0.15 1 82 TRP 4.70 1.34 1 83 ARG 4.73 1.04 1 84 TYR 2.87 1.70 1 85 LEU 3.31 2.52 1 86 TYR 2.76 1.06 1 92 ALA -1.20 -1.46 1 93 THR -1.50 -0.30 1 94 ARG -1.05 0.10 1 95 VAL -6.47 -2.02 1 96 ASP -3.69 1.32 1 97 LEU 3.75 -0.29 1 98 ASP -1.42 -0.19 1 104 GLU -2.84 0.59 1 105 LEU -0.61 -1.04 1 106 ASP -2.91 -0.15 1 107 GLU 3.25 1.85 1 108 GLN 4.40 2.36 1 109 HIS 4.10 3.78 1 110 VAL 4.60 1.12 1 111 GLU 2.95 1.81 1 112 HIS 3.29 2.92 1 113 ALA 2.80 1.08 1 114 ARG 4.27 2.70 1 115 LYS 3.67 2.07 1 116 GLN 3.16 2.92 1 117 LEU 3.01 0.83 1 118 GLU 2.81 2.82 1 119 GLU 2.43 1.73 1 120 ALA 2.82 2.18 1 121 LYS 3.26 1.57 1 122 ALA 2.27 1.54 1 123 ARG 2.37 1.43 1 124 VAL 2.64 1.08 1 125 GLN 1.86 0.74 1 126 ALA 1.23 0.54 1 127 GLN 1.11 0.55 1 128 ARG 0.88 0.13 1 129 ALA 0.55 0.17 1 130 GLU 0.05 -0.07 1 131 GLN 0.10 -0.36 1 132 GLN -0.18 -1.44 1 stop_ save_