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 bmr5244_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.90 _LACS_plot.Line_1_terminator_val_y_1 -4.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.84 _LACS_plot.Line_2_terminator_val_x_2 8.19 _LACS_plot.Line_2_terminator_val_y_2 4.42 _LACS_plot.Y_axis_chem_shift_offset 1.30 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 129 TYR -6.90 -3.67 0 11 GLU -1.21 -1.97 1 12 LEU -0.72 -0.71 1 13 ALA 1.50 -0.19 1 14 ASP 5.78 3.56 1 15 GLN 8.20 4.04 1 16 HIS -0.07 2.03 1 17 LEU 5.44 2.23 1 18 MET 3.78 0.68 1 19 ALA 4.41 1.63 1 20 GLU 5.69 2.96 1 21 TYR 3.54 1.77 1 22 ARG 2.87 1.29 1 23 GLU 1.20 0.55 1 24 LEU 4.99 0.75 1 26 ARG 6.95 3.35 1 27 VAL 3.59 0.32 1 28 PHE 4.02 1.02 1 30 ALA 7.78 4.02 1 31 VAL 7.02 4.28 1 32 ARG 5.54 2.12 1 33 LYS 3.41 3.46 1 34 HIS 5.69 2.67 1 35 VAL 4.34 1.13 1 36 ALA -0.50 -1.27 1 37 ASN -0.43 -2.12 1 39 LYS -3.77 -3.72 1 40 ARG 7.59 4.09 1 41 VAL 3.63 -0.23 1 42 ARG 1.79 0.66 1 43 ASP -1.60 -1.10 1 44 PHE 2.21 -2.42 1 45 LYS 1.43 -0.73 1 46 ILE -0.31 -1.06 1 47 SER -4.20 -3.80 1 49 THR 3.86 1.42 1 50 PHE -4.63 -3.59 1 51 ILE -0.94 -1.76 1 52 LEU 3.73 0.95 1 54 ALA 4.83 4.44 1 56 HIS 7.17 3.66 1 57 VAL 4.17 1.43 1 58 THR 4.13 1.68 1 59 PHE 2.08 0.61 1 60 PHE 3.46 -0.48 1 61 TYR -0.59 -2.84 1 62 ASP -0.68 -2.20 1 63 LYS 4.77 2.66 1 64 LEU 3.47 0.37 1 65 GLU 5.02 3.11 1 66 PHE 4.40 1.31 1 67 LEU 5.73 3.44 1 68 ARG 5.83 3.04 1 69 LYS 3.24 2.50 1 70 ARG 6.57 2.48 1 71 GLN 6.22 3.96 1 72 ILE 3.16 1.61 1 73 GLU 4.22 2.50 1 74 LEU 5.77 4.07 1 75 ILE 4.45 1.67 1 76 ALA 3.77 0.62 1 77 GLU 4.93 1.43 1 79 LEU 4.65 2.31 1 80 LYS 2.93 -0.78 1 81 ARG -0.98 -4.51 1 83 PHE 1.48 -1.51 1 84 ASN -0.01 -2.13 1 85 ILE 2.06 0.23 1 86 LYS -0.61 -1.76 1 87 ASP 0.74 -1.76 1 88 THR -1.72 -1.89 1 89 THR 0.38 -2.09 1 90 VAL 1.44 -0.12 1 91 GLN 0.17 -1.25 1 92 ASP 0.72 -1.82 1 93 ILE 4.14 2.20 1 94 SER 1.51 -1.16 1 95 ASP 0.79 -0.60 1 96 ILE 4.98 2.57 1 98 GLN 4.04 0.66 1 99 GLU 2.40 0.91 1 100 PHE 2.24 -1.31 1 101 ARG -3.89 -2.66 1 103 ASP -2.37 -1.83 1 104 TYR -0.32 -2.56 1 105 ILE -0.69 0.02 1 107 HIS 5.22 2.88 1 108 GLU 4.17 1.65 1 109 ALA 6.59 3.83 1 111 ILE 4.71 1.62 1 112 ALA 5.24 2.70 1 113 ILE 3.73 1.91 1 114 SER 3.09 1.19 1 115 GLN 4.37 1.34 1 116 ALA 4.64 0.70 1 117 ARG 6.10 1.95 1 118 LEU 4.84 2.23 1 119 ASP 3.37 1.29 1 120 GLU 4.62 0.82 1 121 LYS 5.85 2.43 1 122 ILE 3.08 0.40 1 123 ALA 2.56 0.89 1 124 GLN -0.05 -0.83 1 125 ARG 1.47 -0.21 1 127 THR 0.63 1.67 1 130 LYS -1.98 -0.42 1 131 TYR -0.49 0.90 1 132 TYR -1.99 -2.52 1 134 LYS 2.41 -1.40 1 135 ALA 2.34 0.08 1 136 ILE 1.95 -0.32 1 137 TYR -0.22 -0.08 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5244_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.90 _LACS_plot.Line_1_terminator_val_y_1 2.68 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.32 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.84 _LACS_plot.Line_2_terminator_val_x_2 8.19 _LACS_plot.Line_2_terminator_val_y_2 -3.77 _LACS_plot.Y_axis_chem_shift_offset 1.30 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 129 TYR -6.90 3.23 0 11 GLU -1.21 -0.76 1 12 LEU -0.72 0.01 1 13 ALA 1.50 -1.69 1 14 ASP 5.78 -2.22 1 15 GLN 8.20 -4.16 1 16 HIS -0.07 2.10 1 17 LEU 5.44 -3.21 1 18 MET 3.78 -3.10 1 19 ALA 4.41 -2.78 1 20 GLU 5.69 -2.73 1 21 TYR 3.54 -1.77 1 22 ARG 2.87 -1.58 1 23 GLU 1.20 -0.65 1 24 LEU 4.99 -4.24 1 26 ARG 6.95 -3.60 1 27 VAL 3.59 -3.27 1 28 PHE 4.02 -3.00 1 30 ALA 7.78 -3.76 1 31 VAL 7.02 -2.74 1 32 ARG 5.54 -3.42 1 33 LYS 3.41 0.05 1 34 HIS 5.69 -3.02 1 35 VAL 4.34 -3.21 1 36 ALA -0.50 -0.77 1 37 ASN -0.43 -1.69 1 39 LYS -3.77 0.05 1 40 ARG 7.59 -3.50 1 41 VAL 3.63 -3.86 1 42 ARG 1.79 -1.13 1 43 ASP -1.60 0.50 1 44 PHE 2.21 -4.63 1 45 LYS 1.43 -2.16 1 46 ILE -0.31 -0.75 1 47 SER -4.20 0.40 1 49 THR 3.86 -2.44 1 50 PHE -4.63 1.04 1 51 ILE -0.94 -0.82 1 52 LEU 3.73 -2.78 1 54 ALA 4.83 -0.39 1 56 HIS 7.17 -3.51 1 57 VAL 4.17 -2.74 1 58 THR 4.13 -2.45 1 59 PHE 2.08 -1.47 1 60 PHE 3.46 -3.94 1 61 TYR -0.59 -2.25 1 62 ASP -0.68 -1.52 1 63 LYS 4.77 -2.11 1 64 LEU 3.47 -3.10 1 65 GLU 5.02 -1.91 1 66 PHE 4.40 -3.09 1 67 LEU 5.73 -2.29 1 68 ARG 5.83 -2.79 1 69 LYS 3.24 -0.74 1 70 ARG 6.57 -4.09 1 71 GLN 6.22 -2.26 1 72 ILE 3.16 -1.55 1 73 GLU 4.22 -1.72 1 74 LEU 5.77 -1.70 1 75 ILE 4.45 -2.78 1 76 ALA 3.77 -3.15 1 77 GLU 4.93 -3.50 1 79 LEU 4.65 -2.34 1 80 LYS 2.93 -3.71 1 81 ARG -0.98 -3.53 1 83 PHE 1.48 -2.99 1 84 ASN -0.01 -2.12 1 85 ILE 2.06 -1.83 1 86 LYS -0.61 -1.15 1 87 ASP 0.74 -2.50 1 88 THR -1.72 -0.17 1 89 THR 0.38 -2.47 1 90 VAL 1.44 -1.56 1 91 GLN 0.17 -1.42 1 92 ASP 0.72 -2.54 1 93 ILE 4.14 -1.94 1 94 SER 1.51 -2.67 1 95 ASP 0.79 -1.39 1 96 ILE 4.98 -2.41 1 98 GLN 4.04 -3.38 1 99 GLU 2.40 -1.49 1 100 PHE 2.24 -3.55 1 101 ARG -3.89 1.23 1 103 ASP -2.37 0.54 1 104 TYR -0.32 -2.24 1 105 ILE -0.69 0.71 1 107 HIS 5.22 -2.34 1 108 GLU 4.17 -2.52 1 109 ALA 6.59 -2.76 1 111 ILE 4.71 -3.09 1 112 ALA 5.24 -2.54 1 113 ILE 3.73 -1.82 1 114 SER 3.09 -1.90 1 115 GLN 4.37 -3.03 1 116 ALA 4.64 -3.94 1 117 ARG 6.10 -4.15 1 118 LEU 4.84 -2.61 1 119 ASP 3.37 -2.08 1 120 GLU 4.62 -3.80 1 121 LYS 5.85 -3.42 1 122 ILE 3.08 -2.68 1 123 ALA 2.56 -1.67 1 124 GLN -0.05 -0.78 1 125 ARG 1.47 -1.68 1 127 THR 0.63 1.04 1 130 LYS -1.98 1.56 1 131 TYR -0.49 1.39 1 132 TYR -1.99 -0.53 1 134 LYS 2.41 -3.81 1 135 ALA 2.34 -2.26 1 136 ILE 1.95 -2.27 1 137 TYR -0.22 0.14 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5244_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.90 _LACS_plot.Line_1_terminator_val_y_1 0.19 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.01 _LACS_plot.Line_2_terminator_val_x_2 8.19 _LACS_plot.Line_2_terminator_val_y_2 -0.49 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 57 VAL 4.17 -2.21 0 11 GLU -1.21 0.09 1 12 LEU -0.72 0.11 1 14 ASP 5.78 -0.28 1 15 GLN 8.20 -0.39 1 17 LEU 5.44 -0.08 1 18 MET 3.78 -0.06 1 19 ALA 4.41 -0.09 1 20 GLU 5.69 -0.11 1 21 TYR 3.54 -0.29 1 22 ARG 2.87 -0.61 1 23 GLU 1.20 -0.79 1 24 LEU 4.99 0.12 1 26 ARG 6.95 -0.61 1 27 VAL 3.59 -0.43 1 28 PHE 4.02 -0.38 1 30 ALA 7.78 -1.16 1 31 VAL 7.02 -0.13 1 32 ARG 5.54 -0.38 1 33 LYS 3.41 -0.01 1 34 HIS 5.69 -0.23 1 35 VAL 4.34 -0.10 1 36 ALA -0.50 -0.02 1 37 ASN -0.43 0.13 1 39 LYS 7.59 -0.58 1 41 VAL 3.63 -0.05 1 42 ARG 1.79 -0.30 1 43 ASP -1.60 -0.06 1 44 PHE 2.21 0.03 1 45 LYS 1.43 -0.51 1 46 ILE -0.31 -0.22 1 47 SER 3.86 -0.69 1 50 PHE -4.63 -0.08 1 51 ILE -0.94 -0.26 1 52 LEU 3.73 0.32 1 54 ALA 4.83 -0.82 1 56 HIS 7.17 -0.57 1 58 THR 4.13 -0.75 1 59 PHE 2.08 -0.61 1 60 PHE -0.59 -0.39 1 62 ASP -0.68 0.02 1 63 LYS 4.77 -0.06 1 64 LEU 5.02 -0.16 1 66 PHE 4.40 -0.49 1 67 LEU 5.73 -0.36 1 68 ARG 5.83 -0.45 1 69 LYS 3.24 -0.44 1 70 ARG 6.57 -0.10 1 71 GLN 6.22 -0.64 1 72 ILE 3.16 -0.24 1 73 GLU 4.22 -0.41 1 74 LEU 4.45 -0.34 1 76 ALA 3.77 -0.28 1 77 GLU 4.93 -0.36 1 79 LEU 4.65 -0.42 1 80 LYS 2.93 -0.74 1 81 ARG -0.98 0.05 1 83 PHE 1.48 -0.27 1 84 ASN -0.01 0.16 1 85 ILE 2.06 -0.08 1 86 LYS -0.61 -0.12 1 87 ASP 0.74 0.05 1 88 THR -1.72 0.10 1 89 THR 0.38 -0.24 1 90 VAL 1.44 -0.46 1 91 GLN 0.17 -0.20 1 92 ASP 0.72 0.27 1 93 ILE 1.51 -0.33 1 95 ASP 0.79 -0.30 1 96 ILE 4.04 -0.16 1 99 GLU -3.89 0.40 1 103 ASP -2.37 0.15 1 104 TYR -0.32 -0.24 1 105 ILE -0.69 -0.14 1 107 HIS 5.22 0.24 1 108 GLU 4.17 -0.10 1 109 ALA 6.59 -0.29 1 111 ILE 4.71 -0.10 1 112 ALA 3.73 -0.27 1 114 SER 3.09 -0.52 1 115 GLN 4.37 -0.11 1 116 ALA 4.64 -0.14 1 117 ARG 6.10 -0.75 1 118 LEU 4.84 -0.46 1 119 ASP 3.37 -0.32 1 120 GLU 4.62 -0.26 1 121 LYS 5.85 -0.78 1 122 ILE 3.08 -0.24 1 123 ALA 2.56 -0.18 1 124 GLN -0.05 0.08 1 125 ARG 1.47 0.01 1 127 THR 0.63 -0.66 1 129 TYR -6.90 0.13 1 130 LYS -1.98 0.18 1 131 TYR -1.99 0.34 1 134 LYS 2.34 0.09 1 136 ILE 1.95 -0.09 1 137 TYR -0.22 -0.27 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5244_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.90 _LACS_plot.Line_1_terminator_val_y_1 -2.34 _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 -0.55 _LACS_plot.Line_2_terminator_val_x_2 8.19 _LACS_plot.Line_2_terminator_val_y_2 2.82 _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 130 LYS -6.90 -2.05 0 11 GLU -1.21 -0.46 1 12 LEU -0.72 1.07 1 13 ALA 1.50 1.05 1 14 ASP 5.78 2.23 1 15 GLN 8.20 4.32 1 16 HIS -0.07 3.93 1 17 LEU 5.44 -0.43 1 18 MET 3.78 2.11 1 19 ALA 4.41 0.52 1 20 GLU 5.69 1.94 1 21 TYR 3.54 1.48 1 22 ARG 2.87 2.14 1 23 GLU 1.20 1.21 1 26 ARG 4.99 2.92 1 27 VAL 6.95 1.18 1 28 PHE 3.59 2.33 1 30 ALA 4.02 2.07 1 31 VAL 7.78 1.06 1 32 ARG 7.02 3.01 1 33 LYS 5.54 2.28 1 34 HIS 3.41 5.46 1 35 VAL 5.69 4.67 1 36 ALA 4.34 0.83 1 37 ASN -0.50 0.33 1 39 LYS -0.43 -1.10 1 40 ARG -3.77 1.23 1 41 VAL 7.59 1.81 1 42 ARG 3.63 0.03 1 43 ASP 1.79 -1.20 1 44 PHE -1.60 -1.43 1 45 LYS 2.21 -1.71 1 46 ILE 1.43 0.19 1 49 THR -4.20 -2.13 1 50 PHE 3.86 -2.47 1 51 ILE -4.63 -2.33 1 52 LEU -0.94 -0.17 1 54 ALA 3.73 1.19 1 56 HIS 4.83 0.57 1 57 VAL 7.17 1.61 1 58 THR 4.17 0.43 1 59 PHE 4.13 -1.53 1 60 PHE 2.08 0.86 1 61 TYR 3.46 -1.80 1 62 ASP -0.59 0.31 1 63 LYS -0.68 2.35 1 64 LEU 4.77 1.80 1 65 GLU 3.47 1.98 1 66 PHE 5.02 2.64 1 67 LEU 4.40 0.26 1 68 ARG 5.73 1.34 1 69 LYS 5.83 3.10 1 70 ARG 3.24 1.63 1 71 GLN 6.57 2.51 1 72 ILE 6.22 2.88 1 73 GLU 3.16 3.51 1 74 LEU 4.22 1.85 1 75 ILE 5.77 0.96 1 76 ALA 4.45 3.07 1 77 GLU 3.77 1.57 1 79 LEU 4.93 3.94 1 80 LYS 4.65 1.85 1 81 ARG 2.93 -0.74 1 83 PHE -0.98 0.37 1 84 ASN 1.48 0.03 1 85 ILE -0.01 -0.31 1 86 LYS 2.06 0.09 1 87 ASP -0.61 0.95 1 88 THR 0.74 -1.41 1 89 THR -1.72 -1.07 1 90 VAL 0.38 -1.14 1 91 GLN 1.44 -1.19 1 92 ASP 0.17 0.51 1 93 ILE 0.72 0.17 1 94 SER 4.14 -0.78 1 95 ASP 1.51 -0.21 1 98 GLN 4.98 2.43 1 99 GLU 4.04 0.06 1 100 PHE 2.40 3.03 1 101 ARG 2.24 -1.62 1 103 ASP -3.89 -1.35 1 104 TYR -2.37 -3.73 1 107 HIS -0.69 2.64 1 108 GLU 5.22 2.38 1 109 ALA 4.17 3.18 1 111 ILE 6.59 1.07 1 112 ALA 4.71 3.54 1 113 ILE 5.24 2.02 1 114 SER 3.73 3.43 1 115 GLN 3.09 1.32 1 116 ALA 4.37 2.58 1 117 ARG 4.64 1.73 1 118 LEU 6.10 1.81 1 119 ASP 4.84 3.32 1 120 GLU 3.37 2.59 1 121 LYS 4.62 3.72 1 122 ILE 5.85 1.47 1 123 ALA 3.08 1.83 1 124 GLN 2.56 1.80 1 127 THR 1.47 -0.23 1 129 TYR 0.63 -1.40 1 131 TYR -1.98 0.79 1 132 TYR -0.49 1.70 1 134 LYS -1.99 -0.04 1 135 ALA 2.41 0.15 1 136 ILE 2.34 0.46 1 137 TYR 1.95 -1.58 1 stop_ save_