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 bmr17688_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.14 _LACS_plot.Line_1_terminator_val_y_1 -3.33 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.87 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.09 _LACS_plot.Line_2_terminator_val_x_2 6.14 _LACS_plot.Line_2_terminator_val_y_2 4.43 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 130 PHE 3.68 -0.69 0 10 VAL -2.35 -1.25 1 11 ALA 0.84 -1.92 1 12 ALA -2.82 -0.36 1 14 ALA 2.43 2.14 1 15 ALA 3.39 2.77 1 16 ASP 3.40 2.56 1 17 VAL 4.67 3.26 1 18 TRP 1.12 1.66 1 19 THR 5.91 4.82 1 20 LEU 0.50 1.35 1 21 VAL 2.97 1.74 1 23 ASP -1.95 -2.70 1 24 PHE 0.42 1.79 1 25 SER -0.49 0.84 1 26 ALA -1.38 -0.83 1 27 ILE 1.96 1.04 1 28 HIS 1.76 2.60 1 29 ARG 2.49 0.79 1 30 TRP -4.26 -2.52 1 31 HIS -2.45 -0.14 1 33 GLN -2.06 -1.34 1 34 VAL -2.12 -1.29 1 35 SER -1.91 -1.18 1 36 ALA 1.27 -0.46 1 38 THR -0.39 0.03 1 39 LEU -2.23 -1.94 1 40 ARG -2.81 -0.92 1 42 ALA 0.43 0.68 1 43 SER -1.50 -0.87 1 45 HIS -2.77 -0.72 1 46 THR -1.14 -0.36 1 49 ALA 0.75 1.26 1 50 GLU -6.15 -2.54 1 51 ARG -5.08 -3.76 1 52 VAL -2.72 -1.87 1 53 PHE -1.66 -1.54 1 55 ALA 1.92 0.97 1 57 THR -4.84 -1.74 1 58 GLU 2.41 1.65 1 59 GLU -0.96 -1.62 1 60 GLU 0.03 0.78 1 61 LEU -3.72 -1.03 1 62 VAL -1.38 -0.45 1 63 GLU -6.72 -1.93 1 64 ARG -5.96 -1.95 1 65 LEU 1.34 1.05 1 66 VAL 1.23 1.75 1 67 GLU -4.54 -0.73 1 68 ARG -1.43 0.18 1 69 ASP -3.82 -2.21 1 70 GLU 2.31 2.56 1 71 SER 3.60 2.51 1 72 ALA -1.44 -1.47 1 73 ARG 3.15 -0.47 1 74 ARG -5.99 -1.67 1 75 LEU -4.80 -0.89 1 76 VAL -3.19 -1.85 1 77 TYR -5.63 -1.72 1 78 THR -4.17 -2.83 1 79 MET -2.35 -0.15 1 81 ASP -1.42 -1.12 1 84 PHE -5.46 -2.16 1 86 ILE -4.66 -2.86 1 87 THR -4.85 -2.33 1 88 ASN 2.90 0.95 1 89 HIS 0.95 3.87 1 90 ARG -2.70 0.18 1 91 ALA -4.97 -2.32 1 92 VAL -4.39 -1.83 1 93 LEU -4.93 -1.34 1 94 GLU -7.72 -2.82 1 95 VAL -1.19 -0.86 1 96 VAL -2.93 -0.92 1 98 ARG 0.06 0.76 1 99 ASP -0.19 -0.99 1 100 ASP 3.37 2.57 1 101 ARG -2.34 -1.62 1 102 HIS -2.37 0.84 1 104 THR -1.86 -0.54 1 105 VAL -0.60 -0.98 1 106 VAL -1.97 -1.17 1 107 TRP -8.14 -4.02 1 108 THR -3.08 -1.16 1 109 ALA -4.98 -1.73 1 110 MET -4.25 -1.05 1 111 PHE -2.09 -1.98 1 112 ASP -1.14 -0.15 1 114 SER 0.88 0.35 1 116 GLU 5.29 3.74 1 117 THR 6.14 4.23 1 118 ALA 4.59 3.38 1 119 ARG 4.14 3.08 1 120 GLU 2.92 2.55 1 121 LEU 4.96 2.26 1 122 GLU 4.87 4.03 1 123 SER 2.79 2.04 1 124 VAL 3.74 4.35 1 125 ILE 2.03 0.96 1 127 ASP 3.03 1.93 1 129 VAL 2.40 2.94 1 131 ALA 3.70 3.36 1 132 VAL 3.90 3.52 1 134 LEU 5.25 2.85 1 135 ASN 4.33 3.35 1 136 ALA 3.26 2.47 1 137 LEU 2.89 2.87 1 138 ALA 4.03 3.07 1 139 GLU 2.52 2.25 1 140 ARG 3.43 2.56 1 141 TYR 1.81 2.12 1 143 ARG 0.64 0.46 1 144 LEU 0.51 0.18 1 145 GLU -0.04 0.16 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17688_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.14 _LACS_plot.Line_1_terminator_val_y_1 4.81 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.13 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.91 _LACS_plot.Line_2_terminator_val_x_2 6.14 _LACS_plot.Line_2_terminator_val_y_2 -1.71 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 130 PHE 3.68 -4.37 0 10 VAL -2.35 1.10 1 11 ALA 0.84 -2.76 1 12 ALA -2.82 2.46 1 14 ALA 2.43 -0.29 1 15 ALA 3.39 -0.62 1 16 ASP 3.40 -0.84 1 17 VAL 4.67 -1.41 1 18 TRP 1.12 0.54 1 19 THR 5.91 -1.09 1 20 LEU 0.50 0.85 1 21 VAL 2.97 -1.23 1 23 ASP -1.95 -0.75 1 24 PHE 0.42 1.37 1 25 SER -0.49 1.33 1 26 ALA -1.38 0.55 1 27 ILE 1.96 -0.92 1 28 HIS 1.76 0.84 1 29 ARG 2.49 -1.70 1 30 TRP -4.26 1.74 1 31 HIS -2.45 2.31 1 33 GLN -2.06 0.72 1 34 VAL -2.12 0.83 1 35 SER -1.91 0.73 1 36 ALA 1.27 -1.73 1 38 THR -0.39 0.42 1 39 LEU -2.23 0.29 1 40 ARG -2.81 1.89 1 42 ALA 0.43 0.25 1 43 SER -1.50 0.63 1 45 HIS -2.77 2.05 1 46 THR -1.14 0.78 1 49 ALA 0.75 0.51 1 50 GLU -6.15 3.61 1 51 ARG -5.08 1.32 1 52 VAL -2.72 0.85 1 53 PHE -1.66 0.12 1 55 ALA 1.92 -0.95 1 57 THR -4.84 3.10 1 58 GLU 2.41 -0.76 1 59 GLU -0.96 -0.66 1 60 GLU 0.03 0.75 1 61 LEU -3.72 2.69 1 62 VAL -1.38 0.93 1 63 GLU -6.72 4.79 1 64 ARG -5.96 4.01 1 65 LEU 1.34 -0.29 1 66 VAL 1.23 0.52 1 67 GLU -4.54 3.81 1 68 ARG -1.43 1.61 1 69 ASP -3.82 1.61 1 70 GLU 2.31 0.25 1 71 SER 3.60 -1.09 1 72 ALA -1.44 -0.03 1 73 ARG 3.15 -3.62 1 74 ARG -5.99 4.32 1 75 LEU -4.80 3.91 1 76 VAL -3.19 1.34 1 77 TYR -5.63 3.91 1 78 THR -4.17 1.34 1 79 MET -2.35 2.20 1 81 ASP -1.42 0.30 1 84 PHE -5.46 3.30 1 86 ILE -4.66 1.80 1 87 THR -4.85 2.52 1 88 ASN 2.90 -1.95 1 89 HIS 0.95 2.92 1 90 ARG -2.70 2.88 1 91 ALA -4.97 2.65 1 92 VAL -4.39 2.56 1 93 LEU -4.93 3.59 1 94 GLU -7.72 4.90 1 95 VAL -1.19 0.33 1 96 VAL -2.93 2.01 1 98 ARG 0.06 0.70 1 99 ASP -0.19 -0.80 1 100 ASP 3.37 -0.80 1 101 ARG -2.34 0.72 1 102 HIS -2.37 3.21 1 104 THR -1.86 1.32 1 105 VAL -0.60 -0.38 1 106 VAL -1.97 0.80 1 107 TRP -8.14 4.12 1 108 THR -3.08 1.92 1 109 ALA -4.98 3.25 1 110 MET -4.25 3.20 1 111 PHE -2.09 0.11 1 112 ASP -1.14 0.99 1 114 SER 0.88 -0.53 1 116 GLU 5.29 -1.55 1 117 THR 6.14 -1.91 1 118 ALA 4.59 -1.21 1 119 ARG 4.14 -1.06 1 120 GLU 2.92 -0.37 1 121 LEU 4.96 -2.70 1 122 GLU 4.87 -0.84 1 123 SER 2.79 -0.75 1 124 VAL 3.74 0.61 1 125 ILE 2.03 -1.07 1 127 ASP 3.03 -1.10 1 129 VAL 2.40 0.54 1 131 ALA 3.70 -0.34 1 132 VAL 3.90 -0.38 1 134 LEU 5.25 -2.40 1 135 ASN 4.33 -0.98 1 136 ALA 3.26 -0.79 1 137 LEU 2.89 -0.02 1 138 ALA 4.03 -0.96 1 139 GLU 2.52 -0.27 1 140 ARG 3.43 -0.87 1 141 TYR 1.81 0.31 1 143 ARG 0.64 -0.18 1 144 LEU 0.51 -0.33 1 145 GLU -0.04 0.20 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17688_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.14 _LACS_plot.Line_1_terminator_val_y_1 1.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.13 _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 6.14 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 73 ARG 3.15 -3.13 0 10 VAL -2.35 0.42 1 11 ALA 0.84 0.34 1 12 ALA -2.82 -0.29 1 14 ALA 2.43 -0.22 1 15 ALA 3.39 -0.31 1 16 ASP 3.40 -0.27 1 17 VAL 4.67 -0.59 1 18 TRP 1.12 -0.38 1 19 THR 5.91 -0.79 1 20 LEU 0.50 -0.01 1 21 VAL 2.97 -0.81 1 23 ASP -1.95 0.19 1 24 PHE 0.42 -0.51 1 25 SER -0.49 -0.41 1 26 ALA -1.38 0.56 1 27 ILE 1.96 -0.33 1 28 HIS 1.76 -0.30 1 29 ARG 2.49 -0.36 1 30 TRP -4.26 0.27 1 31 HIS -2.45 -0.28 1 33 GLN -2.06 0.32 1 34 VAL -2.12 -0.01 1 35 SER -1.91 -0.04 1 36 ALA 1.27 -0.97 1 38 THR -0.39 -0.02 1 39 LEU -2.23 0.84 1 40 ARG -2.81 0.39 1 42 ALA 0.43 -0.11 1 43 SER -1.50 -0.01 1 45 HIS -2.77 0.06 1 46 THR -1.14 0.07 1 49 ALA 0.75 0.07 1 50 GLU -6.15 1.34 1 51 ARG -5.08 0.93 1 52 VAL -2.72 0.68 1 53 PHE -1.66 0.14 1 55 ALA 1.92 -0.20 1 57 THR -4.84 0.54 1 58 GLU 2.41 -0.17 1 59 GLU -0.96 0.04 1 60 GLU 0.03 0.10 1 61 LEU -3.72 0.52 1 62 VAL -1.38 0.58 1 63 GLU -6.72 1.07 1 64 ARG -5.96 1.21 1 65 LEU 1.34 -0.47 1 66 VAL 1.23 0.07 1 67 GLU -4.54 0.18 1 68 ARG -1.43 0.73 1 69 ASP -3.82 0.41 1 70 GLU 2.31 -0.39 1 71 SER 3.60 -0.36 1 72 ALA -1.44 -0.24 1 74 ARG -5.99 0.95 1 75 LEU -4.80 0.96 1 76 VAL -3.19 1.50 1 77 TYR -5.63 1.12 1 78 THR -4.17 1.26 1 79 MET -2.35 0.67 1 81 ASP -1.42 0.20 1 84 PHE -5.46 0.14 1 86 ILE -4.66 1.19 1 87 THR -4.85 0.55 1 88 ASN 2.90 -0.30 1 89 HIS 0.95 0.38 1 90 ARG -2.70 0.18 1 91 ALA -4.97 1.21 1 92 VAL -4.39 1.11 1 93 LEU -4.93 1.02 1 94 GLU -7.72 1.37 1 95 VAL -1.19 0.63 1 96 VAL -2.93 0.12 1 98 ARG 0.06 0.22 1 99 ASP -0.19 -0.01 1 100 ASP 3.37 -0.18 1 101 ARG -2.34 -0.11 1 102 HIS -2.37 0.57 1 104 THR -1.86 0.92 1 105 VAL -0.60 0.86 1 106 VAL -1.97 0.47 1 107 TRP -8.14 1.34 1 108 THR -3.08 1.40 1 109 ALA -4.98 1.25 1 110 MET -4.25 0.61 1 111 PHE -2.09 0.18 1 112 ASP -1.14 0.64 1 114 SER 0.88 0.18 1 116 GLU 5.29 -0.30 1 117 THR 6.14 -0.34 1 118 ALA 4.59 -0.46 1 119 ARG 4.14 -0.27 1 120 GLU 2.92 -0.20 1 121 LEU 4.96 -0.47 1 122 GLU 4.87 -0.39 1 123 SER 2.79 0.01 1 124 VAL 3.74 -0.55 1 125 ILE 2.03 -0.42 1 127 ASP 3.03 0.22 1 129 VAL 2.40 0.17 1 130 PHE 3.68 0.11 1 131 ALA 3.70 -0.10 1 132 VAL 3.90 -0.33 1 134 LEU 5.25 -0.09 1 135 ASN 4.33 -0.14 1 136 ALA 3.26 0.01 1 137 LEU 2.89 -0.12 1 138 ALA 4.03 -0.07 1 139 GLU 2.52 -0.21 1 140 ARG 3.43 -0.39 1 141 TYR 1.81 -0.13 1 143 ARG 0.64 0.06 1 144 LEU 0.51 -0.04 1 145 GLU -0.04 -0.13 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17688_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.14 _LACS_plot.Line_1_terminator_val_y_1 -3.39 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.64 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.07 _LACS_plot.Line_2_terminator_val_x_2 6.14 _LACS_plot.Line_2_terminator_val_y_2 2.39 _LACS_plot.Y_axis_chem_shift_offset 0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 73 ARG 3.15 -3.98 0 10 VAL -2.35 -0.69 1 11 ALA 0.84 -2.90 1 12 ALA -2.82 -3.21 1 14 ALA 2.43 1.36 1 15 ALA 3.39 2.05 1 16 ASP 3.40 2.14 1 17 VAL 4.67 2.28 1 18 TRP 1.12 1.23 1 19 THR 5.91 -0.74 1 20 LEU 0.50 -0.01 1 21 VAL 2.97 0.48 1 23 ASP -1.95 1.46 1 24 PHE 0.42 0.13 1 25 SER -0.49 -0.15 1 26 ALA -1.38 0.48 1 27 ILE 1.96 -3.23 1 28 HIS 1.76 2.12 1 29 ARG 2.49 0.02 1 30 TRP -4.26 -2.47 1 31 HIS -2.45 2.45 1 33 GLN -2.06 -0.95 1 34 VAL -2.12 -1.70 1 35 SER -1.91 -2.30 1 36 ALA 1.27 0.87 1 38 THR -0.39 -1.36 1 39 LEU -2.23 -0.80 1 40 ARG -2.81 -1.06 1 42 ALA 0.43 -0.87 1 43 SER -1.50 0.26 1 45 HIS -2.77 0.80 1 46 THR -1.14 -2.12 1 49 ALA 0.75 -1.34 1 50 GLU -6.15 -1.54 1 51 ARG -5.08 -3.66 1 52 VAL -2.72 -0.83 1 53 PHE -1.66 0.47 1 55 ALA 1.92 1.65 1 57 THR -4.84 1.39 1 58 GLU 2.41 -0.07 1 59 GLU -0.96 -1.95 1 60 GLU 0.03 -1.04 1 61 LEU -3.72 -3.00 1 62 VAL -1.38 -0.48 1 63 GLU -6.72 -1.81 1 64 ARG -5.96 -1.35 1 65 LEU 1.34 -1.23 1 66 VAL 1.23 -1.32 1 67 GLU -4.54 -3.51 1 68 ARG -1.43 -3.15 1 69 ASP -3.82 -0.11 1 70 GLU 2.31 0.81 1 71 SER 3.60 0.85 1 72 ALA -1.44 -2.05 1 74 ARG -5.99 -2.23 1 75 LEU -4.80 -3.37 1 76 VAL -3.19 -0.42 1 77 TYR -5.63 -4.50 1 78 THR -4.17 -1.52 1 79 MET -2.35 -0.72 1 81 ASP -1.42 -3.10 1 84 PHE -5.46 0.49 1 86 ILE -4.66 -2.08 1 87 THR -4.85 -0.70 1 88 ASN 2.90 -1.05 1 89 HIS 0.95 2.84 1 90 ARG -2.70 -3.61 1 91 ALA -4.97 -3.28 1 92 VAL -4.39 -1.11 1 93 LEU -4.93 -2.57 1 94 GLU -7.72 -2.16 1 95 VAL -1.19 -1.81 1 96 VAL -2.93 -0.21 1 98 ARG 0.06 -0.46 1 99 ASP -0.19 -1.35 1 100 ASP 3.37 0.60 1 101 ARG -2.34 -3.12 1 102 HIS -2.37 0.37 1 104 THR -1.86 -1.21 1 105 VAL -0.60 -2.41 1 106 VAL -1.97 -2.39 1 107 TRP -8.14 -1.97 1 108 THR -3.08 -0.49 1 109 ALA -4.98 -3.25 1 110 MET -4.25 -2.23 1 111 PHE -2.09 -2.82 1 112 ASP -1.14 -0.62 1 114 SER 0.88 0.76 1 116 GLU 5.29 2.77 1 117 THR 6.14 0.93 1 118 ALA 4.59 1.54 1 119 ARG 4.14 3.18 1 120 GLU 2.92 2.93 1 121 LEU 4.96 1.61 1 122 GLU 4.87 0.87 1 123 SER 2.79 2.50 1 124 VAL 3.74 0.13 1 125 ILE 2.03 1.27 1 127 ASP 3.03 2.70 1 129 VAL 2.40 2.56 1 130 PHE 3.68 2.66 1 131 ALA 3.70 1.68 1 132 VAL 3.90 2.83 1 134 LEU 5.25 1.37 1 135 ASN 4.33 2.68 1 136 ALA 3.26 3.35 1 137 LEU 2.89 0.45 1 138 ALA 4.03 3.58 1 139 GLU 2.52 1.82 1 140 ARG 3.43 1.54 1 141 TYR 1.81 0.69 1 143 ARG 0.64 0.32 1 144 LEU 0.51 -0.24 1 145 GLU -0.04 -0.30 1 stop_ save_