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 bmr6051_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.53 _LACS_plot.Line_1_terminator_val_y_1 -3.03 _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 -0.83 _LACS_plot.Line_2_terminator_val_x_2 7.57 _LACS_plot.Line_2_terminator_val_y_2 6.03 _LACS_plot.Y_axis_chem_shift_offset -0.62 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 104 HIS -6.17 2.20 0 22 THR -3.29 4.31 0 10 LEU 3.90 3.50 1 11 LYS 3.04 3.02 1 12 ARG 0.82 1.82 1 13 THR 1.17 2.43 1 14 LEU -1.34 -0.56 1 15 THR -1.27 0.09 1 16 GLU 4.74 4.29 1 17 GLU 4.12 4.35 1 23 GLN 1.29 0.25 1 24 ASN -1.10 -0.44 1 25 SER 4.50 1.40 1 26 ALA -0.35 0.04 1 27 THR -2.58 -0.38 1 31 PHE 5.88 2.50 1 32 SER 1.28 2.81 1 33 HIS -1.51 4.08 1 34 GLU 2.97 2.95 1 35 TYR 1.28 -1.50 1 36 ASP 3.88 5.03 1 37 HIS -1.29 -0.75 1 38 LEU -1.92 0.29 1 39 PHE 0.22 0.43 1 40 LYS -2.15 0.34 1 43 ILE -6.68 -1.88 1 44 TYR -2.56 -0.85 1 45 VAL -5.20 -4.37 1 46 ASP -2.06 1.28 1 47 VAL 3.31 2.97 1 48 VAL 4.90 3.92 1 49 SER -3.35 0.45 1 51 GLU -1.13 0.98 1 53 LEU -3.70 1.48 1 54 PHE -6.52 -0.32 1 55 SER -3.01 -2.32 1 56 SER 3.17 4.35 1 57 ALA 1.58 2.67 1 58 ASP -1.18 0.65 1 59 LYS -3.37 0.06 1 60 TYR -4.51 -1.48 1 61 ASP -1.78 -1.22 1 62 SER -1.09 0.78 1 66 TRP 0.39 2.29 1 68 SER -5.25 -1.69 1 69 PHE -8.53 -2.68 1 70 THR 1.67 1.49 1 71 ARG 1.03 0.71 1 73 ILE 2.71 3.47 1 74 ASP -4.84 -0.40 1 75 ALA 2.66 2.87 1 76 LYS 1.29 0.38 1 77 SER 3.23 4.37 1 78 VAL -6.36 -3.58 1 79 THR -3.11 -1.80 1 80 GLU -4.62 -1.28 1 81 HIS -4.93 0.16 1 82 ASP 1.00 2.32 1 83 ASP -3.56 -0.75 1 84 PHE 0.29 -0.25 1 86 TYR -1.98 -2.73 1 87 ASN 4.15 1.92 1 88 MET 2.53 1.02 1 89 ARG 0.04 0.35 1 91 THR 0.84 0.72 1 92 GLU -2.40 -1.27 1 93 VAL -3.46 -2.02 1 94 ARG -5.63 -1.60 1 95 SER -3.96 -1.25 1 96 HIS 4.05 5.60 1 97 ALA 4.79 3.30 1 98 ALA -0.96 -0.46 1 99 ASP 1.79 1.43 1 100 SER -0.07 -0.31 1 102 LEU -1.73 -0.44 1 105 VAL -5.93 -3.90 1 108 ASP -1.11 -1.05 1 111 ARG 3.67 3.08 1 112 ASP 2.36 1.12 1 113 LYS -2.57 -1.50 1 116 LEU -2.77 -0.56 1 117 ARG -4.03 -0.50 1 118 TYR 2.48 1.64 1 120 ILE -6.74 -3.86 1 121 ASN 0.69 1.77 1 123 ALA 0.57 1.41 1 124 SER -0.25 1.53 1 125 LEU -7.26 -1.34 1 126 LYS -3.03 -0.11 1 127 PHE -1.77 -0.97 1 128 ILE -6.60 -2.29 1 130 LEU 2.52 3.97 1 131 GLU 3.80 2.94 1 132 GLN -1.72 -0.07 1 133 MET 6.97 6.80 1 134 ASP 2.50 1.89 1 135 ALA 3.17 2.66 1 136 ALA -0.95 0.16 1 138 TYR -2.84 -0.82 1 140 ALA 2.29 2.03 1 141 LEU -0.78 -0.25 1 142 LYS 7.57 6.01 1 143 SER 3.27 2.44 1 144 LYS 0.12 -0.24 1 145 VAL 2.02 2.20 1 146 LYS -0.23 1.94 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6051_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.53 _LACS_plot.Line_1_terminator_val_y_1 5.50 _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 1.17 _LACS_plot.Line_2_terminator_val_x_2 7.57 _LACS_plot.Line_2_terminator_val_y_2 -1.54 _LACS_plot.Y_axis_chem_shift_offset -0.62 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 104 HIS -6.17 8.37 0 22 THR -3.29 7.60 0 10 LEU 3.90 -0.40 1 11 LYS 3.04 -0.02 1 12 ARG 0.82 1.00 1 13 THR 1.17 1.26 1 14 LEU -1.34 0.78 1 15 THR -1.27 1.36 1 16 GLU 4.74 -0.45 1 17 GLU 4.12 0.23 1 23 GLN 1.29 -1.04 1 24 ASN -1.10 0.66 1 25 SER 4.50 -3.10 1 26 ALA -0.35 0.39 1 27 THR -2.58 2.20 1 31 PHE 5.88 -3.38 1 32 SER 1.28 1.53 1 33 HIS -1.51 5.59 1 34 GLU 2.97 -0.02 1 35 TYR 1.28 -2.78 1 36 ASP 3.88 1.15 1 37 HIS -1.29 0.54 1 38 LEU -1.92 2.21 1 39 PHE 0.22 0.21 1 40 LYS -2.15 2.49 1 43 ILE -6.68 4.80 1 44 TYR -2.56 1.71 1 45 VAL -5.20 0.83 1 46 ASP -2.06 3.34 1 47 VAL 3.31 -0.34 1 48 VAL 4.90 -0.98 1 49 SER -3.35 3.80 1 51 GLU -1.13 2.11 1 53 LEU -3.70 5.18 1 54 PHE -6.52 6.20 1 55 SER -3.01 0.69 1 56 SER 3.17 1.18 1 57 ALA 1.58 1.09 1 58 ASP -1.18 1.83 1 59 LYS -3.37 3.43 1 60 TYR -4.51 3.03 1 61 ASP -1.78 0.56 1 62 SER -1.09 1.87 1 66 TRP 0.39 1.90 1 68 SER -5.25 3.56 1 69 PHE -8.53 5.85 1 70 THR 1.67 -0.18 1 71 ARG 1.03 -0.32 1 73 ILE 2.71 0.76 1 74 ASP -4.84 4.44 1 75 ALA 2.66 0.21 1 76 LYS 1.29 -0.91 1 77 SER 3.23 1.14 1 78 VAL -6.36 2.78 1 79 THR -3.11 1.31 1 80 GLU -4.62 3.34 1 81 HIS -4.93 5.09 1 82 ASP 1.00 1.32 1 83 ASP -3.56 2.81 1 84 PHE 0.29 -0.54 1 86 TYR -1.98 -0.75 1 87 ASN 4.15 -2.23 1 88 MET 2.53 -1.51 1 89 ARG 0.04 0.31 1 91 THR 0.84 -0.12 1 92 GLU -2.40 1.13 1 93 VAL -3.46 1.44 1 94 ARG -5.63 4.03 1 95 SER -3.96 2.71 1 96 HIS 4.05 1.55 1 97 ALA 4.79 -1.49 1 98 ALA -0.96 0.50 1 99 ASP 1.79 -0.36 1 100 SER -0.07 -0.24 1 102 LEU -1.73 1.29 1 105 VAL -5.93 2.03 1 108 ASP -1.11 0.06 1 111 ARG 3.67 -0.59 1 112 ASP 2.36 -1.24 1 113 LYS -2.57 1.07 1 116 LEU -2.77 2.21 1 117 ARG -4.03 3.53 1 118 TYR 2.48 -0.84 1 120 ILE -6.74 2.88 1 121 ASN 0.69 1.08 1 123 ALA 0.57 0.84 1 124 SER -0.25 1.78 1 125 LEU -7.26 5.92 1 126 LYS -3.03 2.92 1 127 PHE -1.77 0.80 1 128 ILE -6.60 4.31 1 130 LEU 2.52 1.45 1 131 GLU 3.80 -0.86 1 132 GLN -1.72 1.65 1 133 MET 6.97 -0.17 1 134 ASP 2.50 -0.61 1 135 ALA 3.17 -0.51 1 136 ALA -0.95 1.11 1 138 TYR -2.84 2.02 1 140 ALA 2.29 -0.26 1 141 LEU -0.78 0.53 1 142 LYS 7.57 -1.56 1 143 SER 3.27 -0.83 1 144 LYS 0.12 -0.36 1 145 VAL 2.02 0.18 1 146 LYS -0.23 2.17 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6051_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.53 _LACS_plot.Line_1_terminator_val_y_1 0.79 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.07 _LACS_plot.Line_2_terminator_val_x_2 7.57 _LACS_plot.Line_2_terminator_val_y_2 -0.66 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 84 PHE 0.29 0.95 0 54 PHE -6.52 -0.31 0 69 PHE -8.53 1.37 0 128 ILE -6.60 -0.36 0 10 LEU 3.90 -0.30 1 11 LYS 3.04 -0.57 1 12 ARG 0.82 -0.06 1 13 THR 1.17 -0.09 1 14 LEU -1.34 0.35 1 15 THR -1.27 0.04 1 16 GLU 4.74 -0.30 1 17 GLU 4.12 -0.31 1 22 THR -3.29 0.24 1 23 GLN 1.29 -0.12 1 24 ASN -1.10 0.39 1 25 SER 4.50 -0.03 1 26 ALA -0.35 -0.20 1 27 THR -2.58 0.41 1 32 SER 1.28 -0.19 1 33 HIS -1.51 -0.41 1 34 GLU 2.97 -0.12 1 36 ASP 3.88 -0.85 1 37 HIS -1.29 0.13 1 38 LEU -1.92 -0.15 1 39 PHE 0.22 -0.13 1 40 LYS -2.15 0.14 1 43 ILE -6.68 1.01 1 44 TYR -2.56 0.05 1 45 VAL -5.20 0.69 1 46 ASP -2.06 -0.22 1 47 VAL 3.31 -0.44 1 48 VAL 4.90 -0.44 1 53 LEU -3.70 -0.45 1 55 SER -3.01 0.56 1 56 SER 3.17 -0.29 1 57 ALA 1.58 -0.02 1 58 ASP -1.18 -0.23 1 60 TYR -4.51 0.10 1 62 SER -1.09 -0.22 1 66 TRP 0.39 -0.21 1 70 THR 1.67 0.75 1 71 ARG 1.03 0.01 1 73 ILE 2.71 -0.09 1 74 ASP -4.84 -0.22 1 75 ALA 2.66 -0.39 1 76 LYS 1.29 -0.12 1 77 SER 3.23 -0.31 1 78 VAL -6.36 0.99 1 79 THR -3.11 0.14 1 80 GLU -4.62 0.82 1 81 HIS -4.93 -0.16 1 82 ASP 1.00 -0.09 1 83 ASP -3.56 0.19 1 87 ASN 4.15 -0.14 1 88 MET 2.53 -0.29 1 91 THR 0.84 0.37 1 93 VAL -3.46 1.03 1 94 ARG -5.63 -0.13 1 96 HIS 4.05 -0.59 1 97 ALA 4.79 -0.51 1 98 ALA -0.96 -0.20 1 99 ASP 1.79 -0.37 1 100 SER -0.07 -0.71 1 102 LEU -1.73 0.06 1 105 VAL -5.93 1.07 1 108 ASP -1.11 0.13 1 111 ARG 3.67 -0.62 1 112 ASP 2.36 -0.82 1 113 LYS -2.57 0.35 1 116 LEU -2.77 0.64 1 117 ARG -4.03 -0.11 1 118 TYR 2.48 -0.23 1 121 ASN 0.69 -0.28 1 123 ALA 0.57 -0.18 1 124 SER -0.25 -0.20 1 125 LEU -7.26 1.09 1 126 LYS -3.03 0.52 1 127 PHE -1.77 -0.24 1 130 LEU 2.52 -0.37 1 131 GLU 3.80 -0.24 1 132 GLN -1.72 0.24 1 134 ASP 2.50 -0.40 1 135 ALA 3.17 -0.30 1 136 ALA -0.95 -0.02 1 138 TYR -2.84 0.26 1 140 ALA 2.29 -0.36 1 141 LEU -0.78 0.07 1 142 LYS 7.57 -0.76 1 143 SER 3.27 -0.20 1 144 LYS 0.12 0.02 1 145 VAL 2.02 -0.31 1 146 LYS -0.23 -0.20 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6051_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.53 _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 -0.36 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.17 _LACS_plot.Line_2_terminator_val_x_2 7.57 _LACS_plot.Line_2_terminator_val_y_2 0.84 _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 26 ALA -0.35 -5.24 0 22 THR -3.29 2.72 0 69 PHE -8.53 0.20 0 10 LEU 3.90 0.61 1 11 LYS 3.04 0.93 1 12 ARG 0.82 0.59 1 13 THR 1.17 -0.57 1 14 LEU -1.34 0.27 1 15 THR -1.27 -0.02 1 16 GLU 4.74 1.23 1 17 GLU 4.12 1.40 1 23 GLN 1.29 0.56 1 24 ASN -1.10 -0.74 1 25 SER 4.50 -2.11 1 27 THR -2.58 0.08 1 31 PHE 5.88 -0.61 1 32 SER 1.28 -0.73 1 33 HIS -1.51 2.58 1 34 GLU 2.97 1.59 1 35 TYR 1.28 2.46 1 36 ASP 3.88 -0.78 1 37 HIS -1.29 -1.97 1 38 LEU -1.92 -2.83 1 39 PHE 0.22 -1.65 1 40 LYS -2.15 -1.21 1 43 ILE -6.68 -5.10 1 44 TYR -2.56 -0.71 1 45 VAL -5.20 -2.80 1 46 ASP -2.06 1.42 1 47 VAL 3.31 -2.35 1 48 VAL 4.90 -0.09 1 49 SER -3.35 0.80 1 51 GLU -1.13 -1.49 1 53 LEU -3.70 -3.26 1 54 PHE -6.52 -2.38 1 55 SER -3.01 0.79 1 56 SER 3.17 2.12 1 57 ALA 1.58 -0.58 1 58 ASP -1.18 -2.68 1 59 LYS -3.37 -1.18 1 60 TYR -4.51 -3.64 1 61 ASP -1.78 -1.51 1 62 SER -1.09 1.02 1 66 TRP 0.39 -1.90 1 68 SER -5.25 -3.74 1 70 THR 1.67 -0.74 1 71 ARG 1.03 -2.43 1 73 ILE 2.71 -3.31 1 74 ASP -4.84 -5.32 1 75 ALA 2.66 0.17 1 77 SER 3.23 -2.37 1 78 VAL -6.36 -2.17 1 79 THR -3.11 -2.46 1 80 GLU -4.62 -0.65 1 81 HIS -4.93 -0.60 1 82 ASP 1.00 -1.41 1 83 ASP -3.56 -0.47 1 86 TYR -1.98 -2.35 1 87 ASN 4.15 -2.43 1 89 ARG 0.04 -1.46 1 91 THR 0.84 -1.53 1 92 GLU -2.40 -2.26 1 93 VAL -3.46 -2.07 1 94 ARG -5.63 -1.38 1 95 SER -3.96 0.44 1 96 HIS 4.05 1.40 1 97 ALA 4.79 1.11 1 98 ALA -0.96 -1.67 1 99 ASP 1.79 -0.53 1 100 SER -0.07 0.79 1 102 LEU -1.73 -0.48 1 104 HIS -6.17 -2.68 1 105 VAL -5.93 -3.56 1 108 ASP -1.11 0.64 1 111 ARG 3.67 1.32 1 112 ASP 2.36 -0.65 1 113 LYS -2.57 -0.22 1 116 LEU -2.77 -3.88 1 117 ARG -4.03 -1.59 1 118 TYR 2.48 -2.76 1 120 ILE -6.74 -3.12 1 123 ALA 0.57 -1.14 1 124 SER -0.25 -1.88 1 125 LEU -7.26 -2.08 1 126 LYS -3.03 -2.17 1 127 PHE -1.77 -2.51 1 128 ILE -6.60 -3.81 1 130 LEU 2.52 0.03 1 131 GLU 3.80 -0.64 1 132 GLN -1.72 -0.63 1 133 MET 6.97 0.84 1 134 ASP 2.50 3.07 1 135 ALA 3.17 0.51 1 136 ALA -0.95 -1.97 1 138 TYR -2.84 0.08 1 140 ALA 2.29 0.36 1 141 LEU -0.78 -0.21 1 142 LYS 7.57 1.50 1 143 SER 3.27 0.21 1 144 LYS 0.12 0.27 1 145 VAL 2.02 -3.16 1 146 LYS -0.23 2.79 1 stop_ save_