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 bmr4641_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 -2.70 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.76 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.63 _LACS_plot.Line_2_terminator_val_x_2 8.59 _LACS_plot.Line_2_terminator_val_y_2 6.92 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 TYR 0.20 -3.17 0 10 THR 0.40 0.10 1 11 HIS 0.24 0.21 1 12 SER 0.52 0.25 1 13 GLN 0.54 0.27 1 14 TRP -0.43 -0.48 1 15 ASN -0.33 -0.45 1 16 LYS 0.03 -0.05 1 18 SER -0.48 -0.19 1 19 LYS -0.15 -0.04 1 21 LYS 0.31 0.11 1 22 THR -0.27 -0.21 1 23 ASN 0.08 -0.08 1 24 MET 0.24 0.23 1 25 LYS 0.37 0.15 1 26 HIS 0.21 0.22 1 27 MET -0.25 -0.09 1 28 ALA -0.05 0.23 1 30 ALA -0.30 0.08 1 31 ALA -0.12 0.01 1 32 ALA -0.25 -0.07 1 33 ALA 0.07 0.22 1 35 ALA -0.82 -0.32 1 36 VAL 0.12 0.00 1 37 VAL 0.45 0.04 1 40 LEU -0.57 -0.40 1 43 TYR -1.47 -0.06 1 44 MET -3.50 -1.84 1 45 LEU -3.17 -1.87 1 47 SER -0.12 0.07 1 48 ALA 1.12 0.51 1 49 MET -5.24 -1.48 1 50 SER 0.87 0.27 1 51 ARG 1.28 0.80 1 53 ILE 2.35 -0.19 1 54 ILE -2.89 -2.30 1 55 HIS -1.45 -0.94 1 56 PHE -0.19 1.68 1 58 SER -3.68 -1.74 1 59 ASP 3.77 3.34 1 60 TYR 3.99 3.39 1 61 GLU 3.10 3.25 1 62 ASP 4.99 4.27 1 63 ARG 4.58 3.63 1 64 TYR 4.86 4.23 1 65 TYR 5.67 5.01 1 66 ARG 4.80 3.82 1 67 GLU 1.29 1.38 1 68 ASN -0.60 1.61 1 69 MET 6.41 3.76 1 70 HIS 3.58 2.52 1 71 ARG 0.58 0.25 1 74 ASN -0.58 -1.09 1 75 GLN -5.59 -1.61 1 76 VAL -4.56 -3.59 1 77 TYR -4.27 -1.00 1 78 TYR -3.77 -2.21 1 79 ARG -0.83 -0.93 1 81 MET 5.05 1.68 1 82 ASP 1.34 -1.04 1 83 GLU -6.80 -2.80 1 84 TYR -2.20 0.30 1 85 SER -0.13 0.18 1 86 ASN -1.79 -0.77 1 87 GLN 4.31 3.83 1 88 ASN 4.32 3.32 1 89 ASN 3.76 2.74 1 90 PHE 6.70 4.21 1 91 VAL 6.61 5.48 1 92 HIS 4.89 4.42 1 93 ASP 3.21 3.23 1 95 VAL 4.85 3.96 1 96 ASN 3.47 3.36 1 97 ILE 3.28 1.15 1 98 THR 8.59 6.90 1 99 ILE 6.82 4.90 1 100 LYS 4.61 3.78 1 101 GLN 3.78 2.32 1 102 HIS 1.76 4.22 1 103 THR 4.88 3.99 1 104 VAL 4.32 3.39 1 105 THR 3.45 3.03 1 106 THR 3.56 2.63 1 107 THR 3.68 2.85 1 108 THR 3.07 2.28 1 109 LYS 0.76 0.08 1 111 GLU -1.91 -0.72 1 112 ASN -2.12 -0.45 1 113 PHE -1.46 -1.04 1 114 THR -3.82 -1.46 1 115 LYS 4.87 3.59 1 116 THR 6.09 4.83 1 117 ASP 3.23 3.78 1 118 VAL 6.70 5.44 1 119 LYS 3.94 2.97 1 120 MET 4.68 4.55 1 121 MET 4.51 4.50 1 122 GLU 5.23 4.20 1 123 ARG 3.26 2.41 1 124 VAL 4.20 3.52 1 125 VAL 6.15 4.44 1 126 GLU 5.35 4.58 1 127 GLN 4.77 3.37 1 128 MET 3.12 4.55 1 130 ILE 6.21 5.51 1 131 THR 6.68 5.15 1 132 GLN 4.19 2.90 1 133 TYR 4.15 4.16 1 134 GLU 4.17 3.09 1 135 ARG 3.84 3.12 1 136 GLU 1.87 1.44 1 137 SER 4.21 2.92 1 138 GLN 3.68 2.64 1 139 ALA 2.13 1.53 1 140 TYR 2.24 2.34 1 141 TYR 1.82 1.20 1 142 GLN 1.39 0.76 1 143 ARG 1.03 0.78 1 145 SER 0.14 0.24 1 146 SER 0.83 1.70 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4641_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 4.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.37 _LACS_plot.Line_2_terminator_val_x_2 8.59 _LACS_plot.Line_2_terminator_val_y_2 -1.67 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 72 TYR 0.20 -3.37 0 10 THR 0.40 -0.30 1 11 HIS 0.24 -0.03 1 12 SER 0.52 -0.27 1 13 GLN 0.54 -0.27 1 14 TRP -0.43 -0.05 1 15 ASN -0.33 -0.12 1 16 LYS 0.03 -0.08 1 18 SER -0.48 0.29 1 19 LYS -0.15 0.11 1 21 LYS 0.31 -0.20 1 22 THR -0.27 0.06 1 23 ASN 0.08 -0.16 1 24 MET 0.24 -0.01 1 25 LYS 0.37 -0.22 1 26 HIS 0.21 0.01 1 27 MET -0.25 0.16 1 28 ALA -0.05 0.28 1 30 ALA -0.30 0.38 1 31 ALA -0.12 0.13 1 32 ALA -0.25 0.18 1 33 ALA 0.07 0.15 1 35 ALA -0.82 0.50 1 36 VAL 0.12 -0.12 1 37 VAL 0.45 -0.41 1 40 LEU -0.57 0.17 1 43 TYR -1.47 1.41 1 44 MET -3.50 1.66 1 45 LEU -3.17 1.30 1 47 SER -0.12 0.19 1 48 ALA 1.12 -0.61 1 49 MET -5.24 3.76 1 50 SER 0.87 -0.60 1 51 ARG 1.28 -0.48 1 53 ILE 2.35 -2.54 1 54 ILE -2.89 0.59 1 55 HIS -1.45 0.51 1 56 PHE -0.19 1.87 1 58 SER -3.68 1.94 1 59 ASP 3.77 -0.43 1 60 TYR 3.99 -0.60 1 61 GLU 3.10 0.15 1 62 ASP 4.99 -0.72 1 63 ARG 4.58 -0.95 1 64 TYR 4.86 -0.63 1 65 TYR 5.67 -0.66 1 66 ARG 4.80 -0.98 1 67 GLU 1.29 0.09 1 68 ASN -0.60 2.21 1 69 MET 6.41 -2.65 1 70 HIS 3.58 -1.06 1 71 ARG 0.58 -0.33 1 74 ASN -0.58 -0.51 1 75 GLN -5.59 3.98 1 76 VAL -4.56 0.97 1 77 TYR -4.27 3.27 1 78 TYR -3.77 1.56 1 79 ARG -0.83 -0.10 1 81 MET 5.05 -3.37 1 82 ASP 1.34 -2.38 1 83 GLU -6.80 4.00 1 84 TYR -2.20 2.50 1 85 SER -0.13 0.31 1 86 ASN -1.79 1.02 1 87 GLN 4.31 -0.48 1 88 ASN 4.32 -1.00 1 89 ASN 3.76 -1.02 1 90 PHE 6.70 -2.49 1 91 VAL 6.61 -1.13 1 92 HIS 4.89 -0.47 1 93 ASP 3.21 0.02 1 95 VAL 4.85 -0.89 1 96 ASN 3.47 -0.11 1 97 ILE 3.28 -2.13 1 98 THR 8.59 -1.69 1 99 ILE 6.82 -1.92 1 100 LYS 4.61 -0.83 1 101 GLN 3.78 -1.46 1 102 HIS 1.76 2.46 1 103 THR 4.88 -0.89 1 104 VAL 4.32 -0.93 1 105 THR 3.45 -0.42 1 106 THR 3.56 -0.93 1 107 THR 3.68 -0.83 1 108 THR 3.07 -0.79 1 109 LYS 0.76 -0.68 1 111 GLU -1.91 1.19 1 112 ASN -2.12 1.67 1 113 PHE -1.46 0.42 1 114 THR -3.82 2.36 1 115 LYS 4.87 -1.28 1 116 THR 6.09 -1.26 1 117 ASP 3.23 0.55 1 118 VAL 6.70 -1.26 1 119 LYS 3.94 -0.97 1 120 MET 4.68 -0.13 1 121 MET 4.51 -0.01 1 122 GLU 5.23 -1.03 1 123 ARG 3.26 -0.85 1 124 VAL 4.20 -0.68 1 125 VAL 6.15 -1.71 1 126 GLU 5.35 -0.77 1 127 GLN 4.77 -1.40 1 128 MET 3.12 1.43 1 130 ILE 6.21 -0.70 1 131 THR 6.68 -1.53 1 132 GLN 4.19 -1.29 1 133 TYR 4.15 0.01 1 134 GLU 4.17 -1.08 1 135 ARG 3.84 -0.72 1 136 GLU 1.87 -0.43 1 137 SER 4.21 -1.29 1 138 GLN 3.68 -1.04 1 139 ALA 2.13 -0.60 1 140 TYR 2.24 0.10 1 141 TYR 1.82 -0.62 1 142 GLN 1.39 -0.63 1 143 ARG 1.03 -0.25 1 145 SER 0.14 0.10 1 146 SER 0.83 0.87 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4641_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 0.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.17 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.08 _LACS_plot.Line_2_terminator_val_x_2 8.59 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 90 PHE 6.70 -1.62 0 10 THR 0.40 -0.07 1 11 HIS 0.24 -0.01 1 12 SER 0.52 -0.08 1 13 GLN 0.54 -0.05 1 14 TRP -0.43 0.02 1 15 ASN -0.33 -0.12 1 16 LYS 0.03 -0.15 1 18 SER -0.48 -0.02 1 19 LYS -0.15 0.02 1 21 LYS 0.31 0.03 1 22 THR -0.27 -0.02 1 23 ASN 0.08 -0.02 1 24 MET 0.24 -0.03 1 25 LYS 0.37 -0.07 1 26 HIS 0.21 -0.06 1 27 MET -0.25 0.00 1 28 ALA -0.05 0.01 1 30 ALA -0.30 -0.01 1 31 ALA -0.12 -0.03 1 32 ALA -0.25 -0.03 1 33 ALA 0.07 -0.01 1 35 ALA -0.82 0.07 1 36 VAL 0.12 0.03 1 37 VAL 0.45 -0.02 1 40 LEU -0.57 0.05 1 43 TYR -1.47 -0.05 1 44 MET -3.50 0.07 1 45 LEU -3.17 0.18 1 47 SER -0.12 -0.05 1 48 ALA 1.12 0.12 1 49 MET -5.24 0.26 1 50 SER 0.87 -0.10 1 51 ARG 1.28 -0.22 1 53 ILE 2.35 -0.02 1 54 ILE -2.89 -0.24 1 55 HIS -1.45 0.21 1 56 PHE -0.19 -0.27 1 58 SER -3.68 0.34 1 59 ASP 3.77 -0.13 1 60 TYR 3.99 -0.34 1 61 GLU 3.10 -0.76 1 62 ASP 4.99 0.05 1 63 ARG 4.58 -0.32 1 64 TYR 4.86 -0.71 1 65 TYR 5.67 -0.42 1 66 ARG 4.80 -0.40 1 67 GLU 1.29 -0.28 1 68 ASN -0.60 -0.40 1 69 MET 6.41 -1.04 1 70 HIS 3.58 -0.50 1 71 ARG 0.58 -0.20 1 72 TYR 0.20 0.16 1 74 ASN -0.58 -0.03 1 75 GLN -5.59 0.20 1 76 VAL -4.56 0.81 1 77 TYR -4.27 1.00 1 78 TYR -3.77 0.24 1 79 ARG -0.83 -0.02 1 81 MET 5.05 0.22 1 82 ASP 1.34 -0.06 1 83 GLU -6.80 0.08 1 84 TYR -2.20 -0.03 1 85 SER -0.13 0.01 1 86 ASN -1.79 0.03 1 87 GLN 4.31 -0.82 1 88 ASN 4.32 -0.49 1 89 ASN 3.76 -0.18 1 91 VAL 6.61 -0.60 1 92 HIS 4.89 -0.40 1 93 ASP 3.21 -0.08 1 95 VAL 4.85 -0.45 1 96 ASN 3.47 -0.42 1 97 ILE 3.28 -0.40 1 98 THR 8.59 -0.27 1 99 ILE 6.82 -0.48 1 100 LYS 4.61 -0.27 1 101 GLN 3.78 -0.29 1 102 HIS 1.76 -0.14 1 103 THR 4.88 -0.22 1 104 VAL 4.32 -0.16 1 105 THR 3.45 -0.17 1 106 THR 3.56 -0.21 1 107 THR 3.68 0.03 1 108 THR 3.07 -0.13 1 109 LYS 0.76 0.07 1 111 GLU -1.91 -0.10 1 112 ASN -2.12 -0.08 1 113 PHE -1.46 0.69 1 114 THR -3.82 0.27 1 115 LYS 4.87 -0.27 1 116 THR 6.09 -0.54 1 117 ASP 3.23 -0.04 1 118 VAL 6.70 -0.81 1 119 LYS 3.94 -0.20 1 120 MET 4.68 -0.32 1 121 MET 4.51 -0.89 1 122 GLU 5.23 -0.68 1 123 ARG 3.26 -0.10 1 124 VAL 4.20 -0.29 1 125 VAL 6.15 -0.45 1 126 GLU 5.35 -0.74 1 127 GLN 4.77 -0.34 1 128 MET 3.12 -0.32 1 130 ILE 6.21 -0.59 1 131 THR 6.68 -0.39 1 132 GLN 4.19 -0.68 1 133 TYR 4.15 0.18 1 134 GLU 4.17 -0.60 1 135 ARG 3.84 -0.35 1 136 GLU 1.87 -0.30 1 137 SER 4.21 -0.55 1 138 GLN 3.68 -0.20 1 139 ALA 2.13 -0.14 1 140 TYR 2.24 -0.36 1 141 TYR 1.82 -0.17 1 142 GLN 1.39 -0.10 1 143 ARG 1.03 -0.07 1 145 SER 0.14 0.05 1 146 SER 0.83 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr4641_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.80 _LACS_plot.Line_1_terminator_val_y_1 -2.75 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.92 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.65 _LACS_plot.Line_2_terminator_val_x_2 8.59 _LACS_plot.Line_2_terminator_val_y_2 3.19 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 114 THR -3.82 0.86 0 83 GLU -6.80 -2.20 0 69 MET 6.41 -0.04 0 82 ASP 1.34 -2.45 0 102 HIS 1.76 3.81 0 10 THR 0.40 0.07 1 11 HIS 0.24 0.54 1 12 SER 0.52 -0.04 1 13 GLN 0.54 -0.31 1 14 TRP -0.43 -0.32 1 15 ASN -0.33 -0.94 1 16 LYS 0.03 1.90 1 18 SER -0.48 -0.46 1 19 LYS -0.15 -0.40 1 21 LYS 0.31 0.26 1 22 THR -0.27 -0.71 1 23 ASN 0.08 -0.11 1 24 MET 0.24 -0.18 1 25 LYS 0.37 -0.35 1 26 HIS 0.21 0.32 1 27 MET -0.25 -0.62 1 28 ALA -0.05 0.28 1 30 ALA -0.30 -0.14 1 31 ALA -0.12 -0.21 1 32 ALA -0.25 -0.26 1 33 ALA 0.07 0.40 1 35 ALA -0.82 -0.29 1 36 VAL 0.12 0.03 1 37 VAL 0.45 0.35 1 40 LEU -0.57 0.19 1 43 TYR -1.47 -0.37 1 44 MET -3.50 -3.23 1 45 LEU -3.17 0.55 1 47 SER -0.12 0.49 1 48 ALA 1.12 -0.34 1 49 MET -5.24 -0.77 1 50 SER 0.87 -0.19 1 51 ARG 1.28 0.20 1 53 ILE 2.35 -1.20 1 54 ILE -2.89 -3.14 1 55 HIS -1.45 0.59 1 56 PHE -0.19 0.96 1 58 SER -3.68 -0.69 1 59 ASP 3.77 2.27 1 60 TYR 3.99 2.09 1 61 GLU 3.10 1.03 1 62 ASP 4.99 2.97 1 63 ARG 4.58 1.39 1 64 TYR 4.86 3.67 1 65 TYR 5.67 1.16 1 66 ARG 4.80 3.25 1 67 GLU 1.29 0.79 1 68 ASN -0.60 0.39 1 70 HIS 3.58 1.24 1 71 ARG 0.58 0.22 1 72 TYR 0.20 -1.90 1 74 ASN -0.58 -2.35 1 75 GLN -5.59 -1.10 1 76 VAL -4.56 -2.22 1 77 TYR -4.27 -1.45 1 84 TYR -2.20 -2.10 1 85 SER -0.13 -1.59 1 86 ASN -1.79 -0.91 1 87 GLN 4.31 0.91 1 88 ASN 4.32 2.70 1 89 ASN 3.76 2.00 1 90 PHE 6.70 1.52 1 93 ASP 3.21 -0.24 1 95 VAL 4.85 0.93 1 96 ASN 3.47 3.37 1 97 ILE 3.28 1.37 1 98 THR 8.59 2.79 1 99 ILE 6.82 2.48 1 100 LYS 4.61 2.34 1 101 GLN 3.78 2.44 1 103 THR 4.88 1.52 1 104 VAL 4.32 1.84 1 105 THR 3.45 1.67 1 106 THR 3.56 2.05 1 107 THR 3.68 2.63 1 108 THR 3.07 0.39 1 109 LYS 0.76 0.22 1 111 GLU -1.91 -1.47 1 112 ASN -2.12 -1.36 1 113 PHE -1.46 0.88 1 115 LYS 4.87 3.06 1 116 THR 6.09 0.73 1 117 ASP 3.23 1.36 1 118 VAL 6.70 1.07 1 119 LYS 3.94 3.18 1 120 MET 4.68 1.89 1 121 MET 4.51 1.46 1 122 GLU 5.23 1.98 1 123 ARG 3.26 2.99 1 124 VAL 4.20 0.88 1 125 VAL 6.15 1.21 1 126 GLU 5.35 0.98 1 127 GLN 4.77 3.00 1 128 MET 3.12 2.29 1 131 THR 6.68 2.08 1 132 GLN 4.19 1.29 1 133 TYR 4.15 2.12 1 134 GLU 4.17 2.56 1 135 ARG 3.84 3.43 1 136 GLU 1.87 2.31 1 137 SER 4.21 1.31 1 138 GLN 3.68 1.66 1 139 ALA 2.13 1.22 1 140 TYR 2.24 1.34 1 141 TYR 1.82 0.74 1 142 GLN 1.39 0.28 1 143 ARG 1.03 0.74 1 145 SER 0.14 -0.82 1 stop_ save_