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 bmr36061_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.90 _LACS_plot.Line_1_terminator_val_y_1 -2.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.61 _LACS_plot.Line_2_terminator_val_x_2 7.42 _LACS_plot.Line_2_terminator_val_y_2 3.73 _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 99 LEU 6.54 1.32 0 24 PHE 3.54 4.56 0 10 VAL 0.33 0.15 1 11 ALA -0.04 0.24 1 12 THR 0.41 1.48 1 13 VAL 0.11 0.12 1 14 SER -0.14 -0.13 1 15 ALA -0.20 0.13 1 16 ALA 0.16 0.34 1 17 SER 0.05 0.36 1 18 SER 0.25 0.42 1 19 LEU -0.07 0.29 1 20 ILE -0.72 -0.40 1 22 GLU -4.13 -1.38 1 25 MET 2.03 3.06 1 26 ALA -1.59 -1.39 1 27 GLN 0.26 -0.99 1 29 ASP -1.43 -2.08 1 30 ASN 3.12 0.85 1 32 THR 1.60 1.39 1 33 ILE -2.97 -3.64 1 34 GLU 0.91 1.10 1 36 ASP 0.03 0.96 1 41 LYS -4.94 -1.24 1 42 THR 2.69 2.34 1 43 LEU -5.15 -2.17 1 44 TYR -4.28 -1.05 1 45 VAL 2.14 0.67 1 46 VAL -3.57 -2.30 1 48 ASP 2.35 -0.43 1 49 PHE -1.17 -0.92 1 50 ALA 3.76 2.85 1 51 ASP -1.23 -0.88 1 52 ALA -0.77 0.87 1 53 SER 2.71 0.72 1 54 TRP 5.64 2.01 1 55 LYS -3.73 -1.66 1 59 HIS 3.33 3.42 1 60 ARG 0.79 -0.35 1 61 ALA -1.56 -1.21 1 62 TYR -0.58 0.87 1 63 ARG -2.67 -2.03 1 64 TYR 1.92 0.48 1 67 GLU 2.72 0.03 1 68 ASN 3.09 2.43 1 69 THR 0.54 0.90 1 70 TYR -5.17 -1.83 1 71 GLN -6.06 -0.44 1 72 ALA -2.54 -1.33 1 73 VAL 1.71 0.06 1 74 VAL -4.60 -0.38 1 75 ASP 1.17 0.78 1 76 GLU -4.02 -1.66 1 77 LYS -2.71 -1.79 1 78 ALA -0.62 -0.47 1 80 ALA -2.36 -1.77 1 81 PHE -5.56 -0.82 1 82 ARG -4.57 -1.77 1 83 MET -2.51 0.19 1 85 TYR -1.70 -2.09 1 86 ALA -7.90 -1.00 1 87 SER -1.87 -0.83 1 88 LYS 4.21 3.38 1 89 ASP -0.82 -1.78 1 90 TRP 7.42 2.52 1 91 SER -2.48 -2.67 1 93 GLN -7.34 -1.40 1 94 PHE -4.69 -0.94 1 95 THR -5.38 -1.63 1 96 ALA 0.10 0.95 1 97 ASP 1.50 2.13 1 100 GLU -4.74 -1.02 1 101 LEU -5.63 -1.21 1 102 THR -1.55 0.01 1 105 LYS -2.88 -1.52 1 106 THR 2.45 2.14 1 107 ALA -5.97 -2.07 1 108 SER 1.56 1.01 1 109 LEU -5.45 -2.16 1 110 LYS -5.72 -2.19 1 111 ARG 3.58 2.73 1 114 TYR 3.77 3.26 1 116 GLN 0.84 -2.30 1 117 ASP -0.72 0.01 1 118 THR 1.56 2.91 1 119 ALA -3.41 -1.71 1 120 VAL -5.01 -0.77 1 121 THR 0.81 0.34 1 122 LEU -1.85 -2.76 1 124 GLU -6.70 -2.78 1 125 ALA -0.95 -0.39 1 127 GLN 0.40 0.82 1 128 TYR -3.90 -1.00 1 129 VAL -6.11 -4.23 1 130 TRP -1.30 -1.77 1 131 SER -3.85 -0.66 1 132 LEU -7.17 -1.47 1 133 LYS -5.03 -0.78 1 134 PHE -5.09 -0.42 1 135 THR -2.62 -0.73 1 136 ASP 3.27 2.90 1 137 SER -0.43 -0.37 1 139 ASP 2.24 0.70 1 141 GLU -1.51 2.00 1 142 GLN -7.20 -0.80 1 143 ILE -3.82 -2.98 1 144 MET -5.75 0.05 1 145 VAL -4.87 -2.95 1 146 SER -3.13 -1.51 1 147 LYS 0.36 0.52 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36061_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.90 _LACS_plot.Line_1_terminator_val_y_1 5.63 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.39 _LACS_plot.Line_2_terminator_val_x_2 7.42 _LACS_plot.Line_2_terminator_val_y_2 -3.69 _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 99 LEU 6.54 -5.22 0 24 PHE 3.54 1.02 0 10 VAL 0.33 -0.18 1 11 ALA -0.04 0.28 1 12 THR 0.41 1.07 1 13 VAL 0.11 0.01 1 14 SER -0.14 0.01 1 15 ALA -0.20 0.33 1 16 ALA 0.16 0.18 1 17 SER 0.05 0.31 1 18 SER 0.25 0.17 1 19 LEU -0.07 0.36 1 20 ILE -0.72 0.32 1 22 GLU -4.13 2.75 1 25 MET 2.03 1.03 1 26 ALA -1.59 0.20 1 27 GLN 0.26 -1.25 1 29 ASP -1.43 -0.65 1 30 ASN 3.12 -2.27 1 32 THR 1.60 -0.21 1 33 ILE -2.97 -0.67 1 34 GLU 0.91 0.19 1 36 ASP 0.03 0.93 1 41 LYS -4.94 3.70 1 42 THR 2.69 -0.35 1 43 LEU -5.15 2.98 1 44 TYR -4.28 3.23 1 45 VAL 2.14 -1.47 1 46 VAL -3.57 1.27 1 48 ASP 2.35 -2.78 1 49 PHE -1.17 0.25 1 50 ALA 3.76 -0.91 1 51 ASP -1.23 0.35 1 52 ALA -0.77 1.64 1 53 SER 2.71 -1.99 1 54 TRP 5.64 -3.63 1 55 LYS -3.73 2.07 1 59 HIS 3.33 0.09 1 60 ARG 0.79 -1.14 1 61 ALA -1.56 0.35 1 62 TYR -0.58 1.45 1 63 ARG -2.67 0.64 1 64 TYR 1.92 -1.44 1 67 GLU 2.72 -2.69 1 68 ASN 3.09 -0.66 1 69 THR 0.54 0.36 1 70 TYR -5.17 3.34 1 71 GLN -6.06 5.62 1 72 ALA -2.54 1.21 1 73 VAL 1.71 -1.65 1 74 VAL -4.60 4.22 1 75 ASP 1.17 -0.39 1 76 GLU -4.02 2.36 1 77 LYS -2.71 0.92 1 78 ALA -0.62 0.15 1 80 ALA -2.36 0.59 1 81 PHE -5.56 4.74 1 82 ARG -4.57 2.80 1 83 MET -2.51 2.70 1 85 TYR -1.70 -0.39 1 86 ALA -7.90 6.90 1 87 SER -1.87 1.04 1 88 LYS 4.21 -0.83 1 89 ASP -0.82 -0.96 1 90 TRP 7.42 -4.90 1 91 SER -2.48 -0.19 1 93 GLN -7.34 5.94 1 94 PHE -4.69 3.75 1 95 THR -5.38 3.75 1 96 ALA 0.10 0.85 1 97 ASP 1.50 0.63 1 100 GLU -4.74 3.72 1 101 LEU -5.63 4.42 1 102 THR -1.55 1.56 1 105 LYS -2.88 1.36 1 106 THR 2.45 -0.31 1 107 ALA -5.97 3.90 1 108 SER 1.56 -0.55 1 109 LEU -5.45 3.29 1 110 LYS -5.72 3.53 1 111 ARG 3.58 -0.85 1 114 TYR 3.77 -0.51 1 116 GLN 0.84 -3.14 1 117 ASP -0.72 0.73 1 118 THR 1.56 1.35 1 119 ALA -3.41 1.70 1 120 VAL -5.01 4.24 1 121 THR 0.81 -0.47 1 122 LEU -1.85 -0.91 1 124 GLU -6.70 3.92 1 125 ALA -0.95 0.56 1 127 GLN 0.40 0.42 1 128 TYR -3.90 2.90 1 129 VAL -6.11 1.88 1 130 TRP -1.30 -0.47 1 131 SER -3.85 3.19 1 132 LEU -7.17 5.70 1 133 LYS -5.03 4.25 1 134 PHE -5.09 4.67 1 135 THR -2.62 1.89 1 136 ASP 3.27 -0.37 1 137 SER -0.43 0.06 1 139 ASP 2.24 -1.54 1 141 GLU -1.51 3.51 1 142 GLN -7.20 6.40 1 143 ILE -3.82 0.84 1 144 MET -5.75 5.80 1 145 VAL -4.87 1.92 1 146 SER -3.13 1.62 1 147 LYS 0.36 0.16 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36061_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.90 _LACS_plot.Line_1_terminator_val_y_1 0.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.24 _LACS_plot.Line_2_terminator_val_x_2 7.42 _LACS_plot.Line_2_terminator_val_y_2 -0.78 _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 71 GLN -6.06 1.91 0 131 SER -3.85 1.82 0 90 TRP 7.42 0.13 0 10 VAL 0.33 -0.05 1 11 ALA -0.04 0.10 1 12 THR 0.41 -0.05 1 13 VAL 0.11 0.08 1 14 SER -0.14 -0.04 1 15 ALA -0.20 0.00 1 16 ALA 0.16 -0.03 1 17 SER 0.05 -0.07 1 18 SER 0.25 -0.05 1 19 LEU -0.07 -0.14 1 20 ILE -0.72 0.15 1 22 GLU -4.13 0.09 1 24 PHE 3.54 -0.49 1 25 MET 2.03 -0.85 1 26 ALA -1.59 -0.30 1 27 GLN 0.26 -0.25 1 29 ASP -1.43 -0.13 1 30 ASN 3.12 -0.32 1 32 THR 1.60 -0.17 1 33 ILE -2.97 0.16 1 34 GLU 0.91 -0.22 1 36 ASP 0.03 -0.05 1 41 LYS -4.94 0.18 1 42 THR 2.69 -0.26 1 43 LEU -5.15 0.05 1 44 TYR -4.28 0.66 1 45 VAL 2.14 0.01 1 46 VAL -3.57 0.08 1 48 ASP 2.35 -0.85 1 49 PHE -1.17 -0.46 1 50 ALA 3.76 -0.13 1 51 ASP -1.23 -0.10 1 52 ALA -0.77 0.27 1 53 SER 2.71 -0.30 1 54 TRP 5.64 -0.95 1 55 LYS -3.73 0.26 1 59 HIS 3.33 -0.02 1 60 ARG 0.79 -0.46 1 61 ALA -1.56 -0.06 1 62 TYR -0.58 -0.29 1 63 ARG -2.67 0.46 1 64 TYR 1.92 -0.08 1 67 GLU 2.72 -0.57 1 68 ASN 3.09 -0.45 1 69 THR 0.54 1.27 1 70 TYR -5.17 1.06 1 72 ALA -2.54 0.35 1 73 VAL 1.71 0.90 1 74 VAL -4.60 0.24 1 75 ASP 1.17 -0.01 1 76 GLU -4.02 0.74 1 77 LYS -2.71 0.22 1 78 ALA -0.62 -0.08 1 80 ALA -2.36 0.58 1 81 PHE -5.56 0.46 1 82 ARG -4.57 1.06 1 83 MET -2.51 0.54 1 85 TYR -1.70 1.25 1 86 ALA -7.90 1.02 1 87 SER -1.87 0.95 1 88 LYS 4.21 -1.02 1 89 ASP -0.82 0.04 1 91 SER -2.48 0.07 1 93 GLN -7.34 0.58 1 94 PHE -4.69 1.06 1 95 THR -5.38 0.69 1 96 ALA 0.10 0.25 1 97 ASP 1.50 -0.31 1 99 LEU 6.54 -0.30 1 100 GLU -4.74 1.18 1 101 LEU -5.63 0.54 1 102 THR -1.55 0.25 1 105 LYS -2.88 0.56 1 106 THR 2.45 0.16 1 107 ALA -5.97 0.58 1 108 SER 1.56 0.40 1 109 LEU -5.45 0.19 1 110 LYS -5.72 0.73 1 111 ARG 3.58 0.40 1 114 TYR 3.77 -0.81 1 116 GLN 0.84 0.09 1 117 ASP -0.72 0.02 1 118 THR 1.56 -0.48 1 119 ALA -3.41 1.10 1 120 VAL -5.01 0.54 1 121 THR 0.81 0.66 1 122 LEU -1.85 -0.45 1 124 GLU -6.70 0.35 1 125 ALA -0.95 0.09 1 127 GLN 0.40 0.69 1 128 TYR -3.90 0.33 1 129 VAL -6.11 1.09 1 130 TRP -1.30 0.16 1 132 LEU -7.17 0.47 1 133 LYS -5.03 0.97 1 134 PHE -5.09 0.49 1 135 THR -2.62 0.48 1 136 ASP 3.27 -0.35 1 137 SER -0.43 0.03 1 141 GLU -1.51 0.44 1 142 GLN -7.20 1.17 1 143 ILE -3.82 0.80 1 144 MET -5.75 0.05 1 145 VAL -4.87 1.15 1 146 SER -3.13 0.31 1 147 LYS 0.36 -0.83 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr36061_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.90 _LACS_plot.Line_1_terminator_val_y_1 -2.15 _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 -0.95 _LACS_plot.Line_2_terminator_val_x_2 7.42 _LACS_plot.Line_2_terminator_val_y_2 0.24 _LACS_plot.Y_axis_chem_shift_offset 0.65 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 90 TRP 7.42 -3.76 0 10 VAL 0.33 -0.64 1 11 ALA -0.04 -0.94 1 13 VAL 0.11 -0.50 1 15 ALA -0.20 -0.21 1 16 ALA 0.16 0.14 1 17 SER 0.05 0.27 1 18 SER 0.25 -0.16 1 19 LEU -0.07 -2.03 1 20 ILE -0.72 0.64 1 22 GLU -4.13 0.10 1 24 PHE 3.54 2.97 1 25 MET 2.03 -1.38 1 26 ALA -1.59 -1.59 1 27 GLN 0.26 1.09 1 29 ASP -1.43 0.43 1 32 THR 1.60 -0.54 1 33 ILE -2.97 -1.51 1 34 GLU 0.91 -0.30 1 36 ASP 0.03 1.19 1 41 LYS -4.94 -1.28 1 42 THR 2.69 -0.90 1 43 LEU -5.15 -2.41 1 44 TYR -4.28 0.03 1 45 VAL 2.14 -1.92 1 46 VAL -3.57 -4.81 1 48 ASP 2.35 -0.73 1 49 PHE -1.17 2.11 1 50 ALA 3.76 0.58 1 51 ASP -1.23 -1.01 1 52 ALA -0.77 -0.93 1 53 SER 2.71 -0.89 1 54 TRP 5.64 -2.71 1 55 LYS -3.73 0.96 1 59 HIS 3.33 1.74 1 60 ARG 0.79 -3.14 1 61 ALA -1.56 0.16 1 62 TYR -0.58 1.42 1 63 ARG -2.67 -0.80 1 64 TYR 1.92 -0.15 1 67 GLU 2.72 1.25 1 68 ASN 3.09 -2.25 1 69 THR 0.54 -3.78 1 70 TYR -5.17 0.34 1 71 GLN -6.06 -1.11 1 72 ALA -2.54 -2.52 1 73 VAL 1.71 -0.09 1 74 VAL -4.60 -2.08 1 75 ASP 1.17 -1.78 1 76 GLU -4.02 2.15 1 77 LYS -2.71 -1.06 1 78 ALA -0.62 0.49 1 80 ALA -2.36 -1.56 1 81 PHE -5.56 -0.96 1 82 ARG -4.57 -0.59 1 83 MET -2.51 -1.92 1 85 TYR -1.70 0.51 1 86 ALA -7.90 -1.34 1 87 SER -1.87 1.53 1 88 LYS 4.21 -2.36 1 89 ASP -0.82 -0.79 1 93 GLN -7.34 -2.44 1 94 PHE -4.69 -3.42 1 95 THR -5.38 -3.26 1 96 ALA 0.10 0.69 1 97 ASP 1.50 1.00 1 99 LEU 6.54 -1.61 1 100 GLU -4.74 -2.49 1 101 LEU -5.63 -2.08 1 105 LYS -2.88 -0.09 1 106 THR 2.45 -1.14 1 107 ALA -5.97 -1.39 1 108 SER 1.56 -2.18 1 109 LEU -5.45 -4.48 1 110 LYS -5.72 -0.36 1 111 ARG 3.58 0.61 1 114 TYR 3.77 1.68 1 116 GLN 0.84 -1.41 1 117 ASP -0.72 -0.51 1 118 THR 1.56 -2.04 1 119 ALA -3.41 -0.79 1 120 VAL -5.01 -1.98 1 121 THR 0.81 -0.69 1 124 GLU -6.70 -1.58 1 125 ALA -0.95 -1.19 1 127 GLN 0.40 0.05 1 128 TYR -3.90 -2.74 1 129 VAL -6.11 -2.22 1 130 TRP -1.30 0.78 1 131 SER -3.85 -0.22 1 132 LEU -7.17 -3.65 1 133 LYS -5.03 -2.28 1 134 PHE -5.09 -0.66 1 135 THR -2.62 2.01 1 136 ASP 3.27 1.11 1 137 SER -0.43 0.44 1 141 GLU -1.51 -4.56 1 142 GLN -7.20 -3.48 1 143 ILE -3.82 -5.45 1 144 MET -5.75 -3.99 1 145 VAL -4.87 -2.92 1 146 SER -3.13 -2.09 1 147 LYS 0.36 -0.15 1 stop_ save_