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 bmr17124_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.88 _LACS_plot.Line_1_terminator_val_y_1 -2.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.77 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.37 _LACS_plot.Line_2_terminator_val_x_2 6.03 _LACS_plot.Line_2_terminator_val_y_2 4.34 _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 11 PHE 4.89 5.39 0 10 ALA 4.21 2.19 1 12 GLU 3.93 3.09 1 13 LYS 4.32 3.05 1 14 ARG 3.86 3.50 1 15 LEU 2.00 3.08 1 16 SER 4.91 4.12 1 17 ASP 4.42 3.17 1 18 TRP 3.26 2.89 1 19 ALA 3.77 2.88 1 20 LYS 1.56 1.17 1 21 ALA -1.18 -0.78 1 22 ARG -0.38 -0.48 1 23 THR -2.55 -1.79 1 25 ALA 0.37 0.14 1 26 LEU -4.86 -2.23 1 28 VAL -3.32 -1.51 1 29 ALA -2.73 -2.49 1 30 TRP -2.25 -0.96 1 31 GLN 2.49 1.53 1 32 ASN 1.58 0.65 1 33 THR -0.38 0.47 1 34 LYS 2.01 0.84 1 35 PHE -2.88 -0.26 1 36 THR -1.20 -1.11 1 39 ALA 1.51 1.03 1 40 ALA -2.18 -0.94 1 42 VAL -0.56 -0.54 1 43 TYR -3.61 -1.74 1 44 LEU -4.77 -2.84 1 45 ARG -3.06 -1.37 1 46 ALA -4.59 -2.40 1 47 TYR -4.51 -1.02 1 48 VAL 0.04 -0.09 1 49 MET -0.05 -0.54 1 51 ALA -1.08 -0.69 1 52 ALA -1.34 -0.37 1 53 THR -0.34 -0.26 1 54 ILE -0.51 -0.33 1 55 SER -0.43 -0.31 1 56 ARG 0.85 0.63 1 57 ASP -0.01 -0.05 1 58 ALA 0.56 0.41 1 59 ALA 0.06 -0.03 1 61 ASP -0.21 -0.22 1 62 HIS 0.70 0.49 1 63 ARG 0.62 0.46 1 64 GLN -1.55 -0.43 1 65 TYR -0.96 -0.08 1 66 ARG -4.71 -1.46 1 68 VAL -4.77 -1.46 1 69 PHE -4.48 -3.42 1 70 GLN -6.04 -2.30 1 71 VAL -3.34 -2.07 1 72 ASN -1.92 -2.05 1 73 VAL 1.54 -0.10 1 74 VAL 2.29 0.22 1 75 MET 0.01 -0.87 1 77 ILE 2.54 1.74 1 79 ASP -0.56 0.50 1 81 SER 0.72 1.12 1 82 ARG 3.09 1.03 1 83 SER 4.30 3.77 1 84 ALA 3.75 2.84 1 85 GLU 4.07 3.21 1 86 GLN 4.03 2.97 1 87 VAL 6.04 4.62 1 88 ALA 4.93 3.66 1 89 ALA 3.69 2.42 1 90 GLU 2.49 2.82 1 91 LEU 3.28 2.29 1 92 ASP 2.00 2.91 1 93 ALA 1.79 0.89 1 94 LEU -0.50 0.75 1 95 PHE -1.79 -0.87 1 97 VAL 4.22 2.59 1 98 ASN 4.40 2.53 1 99 LEU 1.43 1.71 1 100 VAL -1.84 -1.18 1 101 MET -4.60 -1.67 1 102 GLN -0.23 -0.39 1 103 SER -2.04 -2.27 1 106 LEU -2.88 -1.43 1 107 ALA -3.79 -2.13 1 108 VAL -1.23 -0.99 1 109 ARG -6.05 -2.73 1 110 VAL 3.89 2.33 1 111 ARG -1.59 -0.13 1 112 THR -0.86 -1.82 1 114 ILE 0.98 -0.63 1 115 SER -2.79 -1.35 1 116 ASN -0.25 0.06 1 118 GLN -0.49 -0.36 1 120 THR -2.38 -1.17 1 121 THR -0.44 0.58 1 123 ASP 2.11 1.76 1 124 ALA -1.85 -0.64 1 125 ASP -3.64 -1.06 1 126 HIS -2.23 0.04 1 127 THR -1.34 -0.29 1 128 VAL -3.02 -0.72 1 130 ILE -2.11 -1.07 1 131 SER -4.78 -1.42 1 132 LEU -2.94 -0.93 1 134 TYR -6.88 -2.50 1 135 ASP -4.51 -1.20 1 136 VAL -3.68 -1.34 1 137 GLN -3.95 -1.30 1 138 PHE -0.23 0.16 1 141 GLU 0.09 1.36 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17124_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.88 _LACS_plot.Line_1_terminator_val_y_1 4.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.63 _LACS_plot.Line_2_terminator_val_x_2 6.03 _LACS_plot.Line_2_terminator_val_y_2 -1.69 _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 11 PHE 4.89 0.50 0 10 ALA 4.21 -2.02 1 12 GLU 3.93 -0.84 1 13 LYS 4.32 -1.27 1 14 ARG 3.86 -0.36 1 15 LEU 2.00 1.08 1 16 SER 4.91 -0.79 1 17 ASP 4.42 -1.25 1 18 TRP 3.26 -0.37 1 19 ALA 3.77 -0.89 1 20 LYS 1.56 -0.39 1 21 ALA -1.18 0.40 1 22 ARG -0.38 -0.10 1 23 THR -2.55 0.76 1 25 ALA 0.37 -0.23 1 26 LEU -4.86 2.63 1 28 VAL -3.32 1.81 1 29 ALA -2.73 0.24 1 30 TRP -2.25 1.29 1 31 GLN 2.49 -0.96 1 32 ASN 1.58 -0.93 1 33 THR -0.38 0.85 1 34 LYS 2.01 -1.17 1 35 PHE -2.88 2.62 1 36 THR -1.20 0.09 1 39 ALA 1.51 -0.48 1 40 ALA -2.18 1.24 1 42 VAL -0.56 0.02 1 43 TYR -3.61 1.87 1 44 LEU -4.77 1.93 1 45 ARG -3.06 1.69 1 46 ALA -4.59 2.19 1 47 TYR -4.51 3.49 1 48 VAL 0.04 -0.13 1 49 MET -0.05 -0.49 1 51 ALA -1.08 0.39 1 52 ALA -1.34 0.97 1 53 THR -0.34 0.08 1 54 ILE -0.51 0.18 1 55 SER -0.43 0.12 1 56 ARG 0.85 -0.22 1 57 ASP -0.01 -0.04 1 58 ALA 0.56 -0.15 1 59 ALA 0.06 -0.09 1 61 ASP -0.21 -0.01 1 62 HIS 0.70 -0.21 1 63 ARG 0.62 -0.16 1 64 GLN -1.55 1.12 1 65 TYR -0.96 0.88 1 66 ARG -4.71 3.25 1 68 VAL -4.77 3.31 1 69 PHE -4.48 1.06 1 70 GLN -6.04 3.74 1 71 VAL -3.34 1.27 1 72 ASN -1.92 -0.13 1 73 VAL 1.54 -1.64 1 74 VAL 2.29 -2.07 1 75 MET 0.01 -0.88 1 77 ILE 2.54 -0.80 1 79 ASP -0.56 1.06 1 81 SER 0.72 0.40 1 82 ARG 3.09 -2.06 1 83 SER 4.30 -0.53 1 84 ALA 3.75 -0.91 1 85 GLU 4.07 -0.86 1 86 GLN 4.03 -1.06 1 87 VAL 6.04 -1.42 1 88 ALA 4.93 -1.27 1 89 ALA 3.69 -1.27 1 90 GLU 2.49 0.33 1 91 LEU 3.28 -0.99 1 92 ASP 2.00 0.91 1 93 ALA 1.79 -0.90 1 94 LEU -0.50 1.25 1 95 PHE -1.79 0.92 1 97 VAL 4.22 -1.63 1 98 ASN 4.40 -1.87 1 99 LEU 1.43 0.28 1 100 VAL -1.84 0.66 1 101 MET -4.60 2.93 1 102 GLN -0.23 -0.16 1 103 SER -2.04 -0.23 1 106 LEU -2.88 1.45 1 107 ALA -3.79 1.66 1 108 VAL -1.23 0.24 1 109 ARG -6.05 3.32 1 110 VAL 3.89 -1.56 1 111 ARG -1.59 1.46 1 112 THR -0.86 -0.96 1 114 ILE 0.98 -1.61 1 115 SER -2.79 1.44 1 116 ASN -0.25 0.31 1 118 GLN -0.49 0.13 1 120 THR -2.38 1.21 1 121 THR -0.44 1.02 1 123 ASP 2.11 -0.35 1 124 ALA -1.85 1.21 1 125 ASP -3.64 2.58 1 126 HIS -2.23 2.27 1 127 THR -1.34 1.05 1 128 VAL -3.02 2.30 1 130 ILE -2.11 1.04 1 131 SER -4.78 3.36 1 132 LEU -2.94 2.01 1 134 TYR -6.88 4.38 1 135 ASP -4.51 3.31 1 136 VAL -3.68 2.34 1 137 GLN -3.95 2.65 1 138 PHE -0.23 0.39 1 141 GLU 0.09 1.27 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17124_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.88 _LACS_plot.Line_1_terminator_val_y_1 0.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.21 _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 6.03 _LACS_plot.Line_2_terminator_val_y_2 -0.59 _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 19 ALA 3.77 -1.51 0 10 ALA 4.21 -0.39 1 11 PHE 4.89 -0.85 1 12 GLU 3.93 -0.46 1 13 LYS 4.32 -0.33 1 14 ARG 3.86 -0.26 1 15 LEU 2.00 0.13 1 16 SER 4.91 -0.14 1 17 ASP 4.42 -0.29 1 18 TRP 3.26 -0.37 1 20 LYS 1.56 -0.17 1 21 ALA -1.18 -0.01 1 22 ARG -0.38 -0.43 1 23 THR -2.55 -0.06 1 25 ALA 0.37 -0.26 1 26 LEU -4.86 0.26 1 28 VAL -3.32 0.40 1 29 ALA -2.73 -0.12 1 30 TRP -2.25 -0.05 1 31 GLN 2.49 -0.54 1 32 ASN 1.58 -0.05 1 33 THR -0.38 -0.01 1 34 LYS 2.01 -0.08 1 35 PHE -2.88 0.03 1 36 THR -1.20 -0.28 1 39 ALA 1.51 -0.30 1 40 ALA -2.18 0.09 1 42 VAL -0.56 0.51 1 43 TYR -3.61 0.32 1 44 LEU -4.77 1.08 1 45 ARG -3.06 0.53 1 46 ALA -4.59 0.52 1 47 TYR -4.51 0.08 1 48 VAL 0.04 0.43 1 49 MET -0.05 0.23 1 51 ALA -1.08 0.00 1 52 ALA -1.34 0.09 1 53 THR -0.34 -0.04 1 54 ILE -0.51 0.04 1 55 SER -0.43 -0.05 1 56 ARG 0.85 -0.07 1 57 ASP -0.01 -0.12 1 58 ALA 0.56 -0.13 1 59 ALA 0.06 -0.07 1 61 ASP -0.21 -0.13 1 62 HIS 0.70 -0.14 1 63 ARG 0.62 -0.06 1 64 GLN -1.55 0.20 1 65 TYR -0.96 0.17 1 66 ARG -4.71 0.64 1 68 VAL -4.77 0.75 1 69 PHE -4.48 0.60 1 70 GLN -6.04 0.38 1 71 VAL -3.34 0.03 1 72 ASN -1.92 0.32 1 73 VAL 1.54 -0.20 1 74 VAL 2.29 0.04 1 75 MET 0.01 0.21 1 77 ILE 2.54 -0.46 1 79 ASP -0.56 -0.11 1 81 SER 0.72 -0.07 1 82 ARG 3.09 -0.04 1 83 SER 4.30 -0.24 1 84 ALA 3.75 -0.35 1 85 GLU 4.07 -0.44 1 86 GLN 4.03 -0.20 1 87 VAL 6.04 -0.40 1 88 ALA 4.93 -0.56 1 89 ALA 3.69 -0.16 1 90 GLU 2.49 -0.35 1 91 LEU 3.28 -0.65 1 92 ASP 2.00 -0.35 1 93 ALA 1.79 -0.29 1 94 LEU -0.50 -0.48 1 95 PHE -1.79 -0.05 1 97 VAL 4.22 -0.80 1 98 ASN 4.40 -0.60 1 99 LEU 1.43 -0.23 1 100 VAL -1.84 0.62 1 101 MET -4.60 -0.11 1 102 GLN -0.23 0.34 1 103 SER -2.04 -0.01 1 106 LEU -2.88 0.41 1 107 ALA -3.79 0.51 1 108 VAL -1.23 0.34 1 109 ARG -6.05 1.33 1 110 VAL 3.89 -0.19 1 111 ARG -1.59 0.21 1 112 THR -0.86 0.25 1 114 ILE 0.98 0.04 1 115 SER -2.79 0.19 1 116 ASN -0.25 0.18 1 118 GLN -0.49 -0.19 1 120 THR -2.38 0.21 1 121 THR -0.44 0.37 1 123 ASP 2.11 -0.27 1 124 ALA -1.85 0.12 1 125 ASP -3.64 0.26 1 126 HIS -2.23 0.40 1 127 THR -1.34 0.88 1 128 VAL -3.02 -0.14 1 130 ILE -2.11 0.57 1 131 SER -4.78 1.09 1 132 LEU -2.94 0.22 1 134 TYR -6.88 1.40 1 135 ASP -4.51 0.70 1 136 VAL -3.68 0.95 1 137 GLN -3.95 0.22 1 138 PHE -0.23 0.01 1 141 GLU 0.09 -0.30 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17124_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.88 _LACS_plot.Line_1_terminator_val_y_1 -3.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.20 _LACS_plot.Line_2_terminator_val_x_2 6.03 _LACS_plot.Line_2_terminator_val_y_2 2.32 _LACS_plot.Y_axis_chem_shift_offset 0.30 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 109 ARG -6.05 0.33 0 10 ALA 4.21 1.68 1 11 PHE 4.89 1.66 1 12 GLU 3.93 2.76 1 13 LYS 4.32 0.73 1 14 ARG 3.86 3.16 1 15 LEU 2.00 1.13 1 16 SER 4.91 2.30 1 17 ASP 4.42 2.49 1 18 TRP 3.26 1.65 1 19 ALA 3.77 1.22 1 20 LYS 1.56 0.67 1 21 ALA -1.18 -1.09 1 22 ARG -0.38 -2.38 1 31 GLN 2.49 -0.64 1 32 ASN 1.58 -0.14 1 33 THR -0.38 -0.39 1 34 LYS 2.01 -0.87 1 35 PHE -2.88 -1.87 1 39 ALA 1.51 -0.47 1 40 ALA -2.18 -0.73 1 42 VAL -0.56 -0.84 1 43 TYR -3.61 -4.88 1 44 LEU -4.77 -1.60 1 45 ARG -3.06 -2.31 1 46 ALA -4.59 -2.84 1 47 TYR -4.51 -1.57 1 48 VAL 0.04 -0.68 1 51 ALA -1.08 -0.59 1 52 ALA -1.34 -0.28 1 53 THR -0.34 -0.28 1 54 ILE -0.51 -0.45 1 55 SER -0.43 -0.09 1 56 ARG 0.85 -0.26 1 57 ASP -0.01 -0.18 1 58 ALA 0.56 -0.15 1 61 ASP -0.21 0.03 1 62 HIS 0.70 0.77 1 63 ARG 0.62 -0.68 1 64 GLN -1.55 -0.92 1 65 TYR -0.96 -1.38 1 66 ARG -4.71 -0.99 1 68 VAL -4.77 -2.09 1 69 PHE -4.48 -3.65 1 71 VAL -3.34 -2.86 1 72 ASN -1.92 -0.98 1 73 VAL 1.54 -2.19 1 74 VAL 2.29 -1.28 1 77 ILE 2.54 0.74 1 79 ASP -0.56 0.67 1 81 SER 0.72 0.66 1 83 SER 4.30 1.20 1 84 ALA 3.75 1.23 1 85 GLU 4.07 2.88 1 86 GLN 4.03 2.23 1 87 VAL 6.04 1.35 1 88 ALA 4.93 1.26 1 89 ALA 3.69 3.70 1 90 GLU 2.49 3.59 1 91 LEU 3.28 0.68 1 92 ASP 2.00 0.72 1 93 ALA 1.79 1.35 1 94 LEU -0.50 -1.80 1 99 LEU 1.43 -2.33 1 100 VAL -1.84 -0.11 1 101 MET -4.60 -1.77 1 102 GLN -0.23 0.27 1 103 SER -2.04 -0.60 1 106 LEU -2.88 -3.21 1 107 ALA -3.79 -2.20 1 108 VAL -1.23 -2.61 1 110 VAL 3.89 -0.79 1 111 ARG -1.59 -0.38 1 114 ILE 0.98 0.27 1 115 SER -2.79 -1.14 1 116 ASN -0.25 0.55 1 120 THR -2.38 -0.68 1 121 THR -0.44 -0.33 1 123 ASP 2.11 0.63 1 124 ALA -1.85 -1.04 1 125 ASP -3.64 -2.34 1 130 ILE -2.11 -1.49 1 131 SER -4.78 -2.48 1 132 LEU -2.94 -2.66 1 134 TYR -6.88 -1.83 1 135 ASP -4.51 -1.61 1 stop_ save_