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 bmr16428_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.51 _LACS_plot.Line_1_terminator_val_y_1 -2.22 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.33 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.24 _LACS_plot.Line_2_terminator_val_x_2 9.04 _LACS_plot.Line_2_terminator_val_y_2 6.78 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 66 MET -7.51 -1.26 0 56 TYR -3.57 -5.41 0 10 ALA -5.32 -2.10 1 11 SER -2.80 -1.32 1 12 LEU -0.07 0.11 1 13 VAL 1.85 1.22 1 14 ALA -0.96 -0.55 1 15 GLU 4.45 3.97 1 16 ALA 2.70 2.06 1 17 GLN -0.01 0.84 1 18 ARG 5.40 5.28 1 19 LEU 4.26 2.97 1 20 ASP -0.57 0.05 1 21 PHE 3.25 5.30 1 22 LEU 9.04 6.35 1 24 THR 6.52 5.19 1 25 TYR 7.21 4.36 1 26 PHE 1.25 1.87 1 29 ARG 2.51 1.92 1 30 LEU -1.57 -0.87 1 31 MET 5.80 4.48 1 32 MET 5.18 3.41 1 33 ARG 2.62 1.83 1 35 GLU 3.19 2.87 1 36 ALA 3.41 2.32 1 37 LEU 1.47 2.35 1 38 VAL 7.56 5.75 1 39 TYR 2.28 0.12 1 40 ALA 3.52 2.69 1 41 TRP 5.91 4.61 1 42 MET 2.39 2.31 1 43 ARG 2.99 2.56 1 44 ARG 2.58 2.57 1 45 LEU -0.20 1.00 1 47 GLU 3.08 2.74 1 48 ARG 0.73 0.02 1 49 TYR 1.53 1.26 1 50 ASN -1.92 -1.15 1 52 ALA -3.29 -0.44 1 53 TYR -0.03 0.38 1 54 TRP -0.04 -0.95 1 55 HIS -4.00 0.86 1 57 TYR -4.24 -0.94 1 58 ALA -4.44 -2.25 1 59 LEU -2.05 -2.12 1 60 SER 3.87 2.93 1 61 ASP -0.72 -1.55 1 64 PHE -0.96 -1.02 1 65 TYR -0.85 0.01 1 67 ALA -4.92 -0.50 1 69 ASP -0.25 -1.25 1 70 LEU -5.94 -2.07 1 71 ALA -1.84 -0.72 1 73 ARG -2.02 -1.01 1 74 LEU -2.08 -1.06 1 75 GLU 0.70 0.17 1 76 ILE -4.78 -4.19 1 77 GLU -5.07 -1.69 1 78 VAL 0.03 -0.82 1 79 ASN 3.53 3.53 1 81 ASN -1.34 -1.08 1 83 PHE 2.07 2.27 1 84 ARG -3.01 -1.04 1 86 GLU -4.06 -1.72 1 87 LEU -6.17 -1.45 1 88 SER 0.89 0.86 1 89 ALA 3.60 3.57 1 90 ASP 1.22 4.21 1 91 ALA 1.89 1.99 1 92 ALA 3.39 2.69 1 94 ILE 7.91 6.30 1 95 VAL 7.01 5.44 1 96 ALA 4.82 3.96 1 97 THR 7.71 6.40 1 98 LEU 5.09 3.84 1 99 PHE 5.72 2.28 1 100 ALA 2.66 3.67 1 101 LEU 1.54 3.27 1 103 GLN 5.37 3.47 1 104 LEU 2.53 2.67 1 105 ALA 3.98 2.72 1 106 ALA 2.20 1.56 1 107 GLU 1.21 1.65 1 108 ILE -0.32 -0.77 1 111 THR -0.68 0.57 1 112 ASP 2.51 1.84 1 113 ALA 0.92 0.93 1 114 ALA 3.12 2.75 1 115 ASP 4.38 3.46 1 116 ALA 3.34 2.36 1 117 LEU 3.23 2.77 1 118 ILE 4.67 3.02 1 119 ASP 4.86 3.19 1 120 ARG 6.43 4.51 1 121 TYR 5.10 4.10 1 122 HIS 5.14 4.75 1 123 PHE 1.99 0.40 1 124 LEU 4.47 2.47 1 125 ARG 5.56 4.39 1 127 PHE 2.66 3.12 1 128 ALA 2.82 1.74 1 129 ALA 3.36 2.14 1 131 HIS -1.34 2.60 1 133 GLU -0.62 -1.24 1 134 ALA 2.29 3.99 1 135 ALA 4.42 2.86 1 136 ALA 2.39 2.53 1 137 ILE 5.48 4.79 1 138 TYR 5.67 3.57 1 139 ARG 3.23 2.36 1 140 ALA 4.30 2.76 1 141 ILE 1.14 0.28 1 142 ASP 1.37 2.83 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16428_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.51 _LACS_plot.Line_1_terminator_val_y_1 5.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.67 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.76 _LACS_plot.Line_2_terminator_val_x_2 9.04 _LACS_plot.Line_2_terminator_val_y_2 -2.26 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 66 MET -7.51 6.25 0 56 TYR -3.57 -1.84 0 10 ALA -5.32 3.22 1 11 SER -2.80 1.48 1 12 LEU -0.07 0.18 1 13 VAL 1.85 -0.63 1 14 ALA -0.96 0.41 1 15 GLU 4.45 -0.48 1 16 ALA 2.70 -0.64 1 17 GLN -0.01 0.85 1 18 ARG 5.40 -0.12 1 19 LEU 4.26 -1.29 1 20 ASP -0.57 0.62 1 21 PHE 3.25 2.05 1 22 LEU 9.04 -2.69 1 24 THR 6.52 -1.33 1 25 TYR 7.21 -2.85 1 26 PHE 1.25 0.62 1 29 ARG 2.51 -0.59 1 30 LEU -1.57 0.70 1 31 MET 5.80 -1.32 1 32 MET 5.18 -1.77 1 33 ARG 2.62 -0.79 1 35 GLU 3.19 -0.32 1 36 ALA 3.41 -1.09 1 37 LEU 1.47 0.88 1 38 VAL 7.56 -1.81 1 39 TYR 2.28 -2.16 1 40 ALA 3.52 -0.83 1 41 TRP 5.91 -1.30 1 42 MET 2.39 -0.08 1 43 ARG 2.99 -0.43 1 44 ARG 2.58 -0.01 1 45 LEU -0.20 1.20 1 47 GLU 3.08 -0.34 1 48 ARG 0.73 -0.71 1 49 TYR 1.53 -0.27 1 50 ASN -1.92 0.77 1 52 ALA -3.29 2.85 1 53 TYR -0.03 0.41 1 54 TRP -0.04 -0.91 1 55 HIS -4.00 4.86 1 57 TYR -4.24 3.30 1 58 ALA -4.44 2.19 1 59 LEU -2.05 -0.07 1 60 SER 3.87 -0.94 1 61 ASP -0.72 -0.83 1 64 PHE -0.96 -0.06 1 65 TYR -0.85 0.86 1 67 ALA -4.92 4.42 1 69 ASP -0.25 -1.00 1 70 LEU -5.94 3.87 1 71 ALA -1.84 1.12 1 73 ARG -2.02 1.01 1 74 LEU -2.08 1.02 1 75 GLU 0.70 -0.53 1 76 ILE -4.78 0.59 1 77 GLU -5.07 3.38 1 78 VAL 0.03 -0.85 1 79 ASN 3.53 0.00 1 81 ASN -1.34 0.26 1 83 PHE 2.07 0.20 1 84 ARG -3.01 1.97 1 86 GLU -4.06 2.34 1 87 LEU -6.17 4.72 1 88 SER 0.89 -0.03 1 89 ALA 3.60 -0.03 1 90 ASP 1.22 2.99 1 91 ALA 1.89 0.10 1 92 ALA 3.39 -0.70 1 94 ILE 7.91 -1.61 1 95 VAL 7.01 -1.57 1 96 ALA 4.82 -0.86 1 97 THR 7.71 -1.31 1 98 LEU 5.09 -1.25 1 99 PHE 5.72 -3.44 1 100 ALA 2.66 1.01 1 101 LEU 1.54 1.73 1 103 GLN 5.37 -1.90 1 104 LEU 2.53 0.14 1 105 ALA 3.98 -1.26 1 106 ALA 2.20 -0.64 1 107 GLU 1.21 0.44 1 108 ILE -0.32 -0.45 1 111 THR -0.68 1.25 1 112 ASP 2.51 -0.67 1 113 ALA 0.92 0.01 1 114 ALA 3.12 -0.37 1 115 ASP 4.38 -0.92 1 116 ALA 3.34 -0.98 1 117 LEU 3.23 -0.46 1 118 ILE 4.67 -1.65 1 119 ASP 4.86 -1.67 1 120 ARG 6.43 -1.92 1 121 TYR 5.10 -1.00 1 122 HIS 5.14 -0.39 1 123 PHE 1.99 -1.59 1 124 LEU 4.47 -2.00 1 125 ARG 5.56 -1.17 1 127 PHE 2.66 0.46 1 128 ALA 2.82 -1.08 1 129 ALA 3.36 -1.22 1 131 HIS -1.34 3.94 1 133 GLU -0.62 -0.62 1 134 ALA 2.29 1.70 1 135 ALA 4.42 -1.56 1 136 ALA 2.39 0.14 1 137 ILE 5.48 -0.69 1 138 TYR 5.67 -2.10 1 139 ARG 3.23 -0.87 1 140 ALA 4.30 -1.54 1 141 ILE 1.14 -0.86 1 142 ASP 1.37 1.46 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16428_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.51 _LACS_plot.Line_1_terminator_val_y_1 0.84 _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 0.23 _LACS_plot.Line_2_terminator_val_x_2 9.04 _LACS_plot.Line_2_terminator_val_y_2 -0.94 _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 55 HIS -4.00 -0.75 0 10 ALA -5.32 0.68 1 11 SER -2.80 0.33 1 12 LEU -0.07 -0.31 1 13 VAL 1.85 -0.38 1 14 ALA -0.96 -0.12 1 15 GLU 4.45 -0.67 1 16 ALA 2.70 -0.13 1 17 GLN -0.01 0.28 1 18 ARG 5.40 -0.43 1 19 LEU 4.26 -0.11 1 20 ASP -0.57 0.15 1 21 PHE 3.25 -0.36 1 22 LEU 9.04 -0.67 1 24 THR 6.52 -0.85 1 25 TYR 7.21 -0.96 1 26 PHE 1.25 -0.05 1 29 ARG 2.51 -0.09 1 30 LEU -1.57 0.27 1 31 MET 5.80 -0.87 1 32 MET 5.18 -0.23 1 33 ARG 2.62 -0.37 1 35 GLU 3.19 -1.25 1 36 ALA 3.41 -0.47 1 37 LEU 1.47 -0.16 1 38 VAL 7.56 -0.55 1 39 TYR 2.28 -0.19 1 40 ALA 3.52 -0.25 1 41 TRP 5.91 -0.33 1 42 MET 2.39 0.03 1 43 ARG 2.99 0.09 1 44 ARG 2.58 -0.29 1 45 LEU -0.20 0.46 1 47 GLU 3.08 -0.02 1 48 ARG 0.73 -0.02 1 49 TYR 1.53 -0.22 1 50 ASN -1.92 -0.07 1 52 ALA -3.29 0.12 1 53 TYR -0.03 0.01 1 54 TRP -0.04 0.02 1 56 TYR -3.57 0.15 1 57 TYR -4.24 0.41 1 58 ALA -4.44 0.35 1 59 LEU -2.05 0.91 1 60 SER 3.87 -0.43 1 61 ASP -0.72 -0.23 1 64 PHE -0.96 0.32 1 65 TYR -0.85 -0.28 1 66 MET -7.51 1.19 1 67 ALA -4.92 0.49 1 69 ASP -0.25 0.00 1 70 LEU -5.94 0.31 1 71 ALA -1.84 0.13 1 73 ARG -2.02 0.12 1 74 LEU -2.08 0.17 1 75 GLU 0.70 0.12 1 76 ILE -4.78 1.07 1 77 GLU -5.07 0.97 1 78 VAL 0.03 0.15 1 79 ASN 3.53 -0.25 1 81 ASN -1.34 0.21 1 83 PHE 2.07 -0.36 1 84 ARG -3.01 0.57 1 86 GLU -4.06 1.01 1 87 LEU -6.17 0.46 1 88 SER 0.89 -0.08 1 89 ALA 3.60 -0.40 1 90 ASP 1.22 -0.30 1 91 ALA 1.89 -0.89 1 92 ALA 3.39 -0.61 1 94 ILE 7.91 -0.95 1 95 VAL 7.01 -1.11 1 96 ALA 4.82 -0.38 1 97 THR 7.71 -0.07 1 98 LEU 5.09 -0.54 1 99 PHE 5.72 -0.64 1 100 ALA 2.66 -0.26 1 101 LEU 1.54 -0.26 1 103 GLN 5.37 -0.20 1 104 LEU 2.53 -0.38 1 105 ALA 3.98 -0.49 1 106 ALA 2.20 -0.14 1 107 GLU 1.21 -0.16 1 108 ILE -0.32 0.40 1 111 THR -0.68 0.01 1 112 ASP 2.51 -0.16 1 113 ALA 0.92 -0.06 1 114 ALA 3.12 -0.37 1 115 ASP 4.38 -0.39 1 116 ALA 3.34 -0.11 1 117 LEU 3.23 -0.23 1 118 ILE 4.67 -0.60 1 119 ASP 4.86 -0.47 1 120 ARG 6.43 -0.27 1 121 TYR 5.10 -0.76 1 122 HIS 5.14 -0.54 1 123 PHE 1.99 0.15 1 124 LEU 4.47 -0.23 1 125 ARG 5.56 -0.88 1 127 PHE 2.66 -0.41 1 128 ALA 2.82 -0.79 1 129 ALA 3.36 -0.45 1 131 HIS -1.34 -0.81 1 133 GLU -0.62 0.31 1 134 ALA 2.29 -0.55 1 135 ALA 4.42 -0.32 1 136 ALA 2.39 -0.21 1 137 ILE 5.48 -1.23 1 138 TYR 5.67 -0.68 1 139 ARG 3.23 -0.27 1 140 ALA 4.30 -0.77 1 141 ILE 1.14 0.08 1 142 ASP 1.37 -0.29 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16428_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.51 _LACS_plot.Line_1_terminator_val_y_1 -2.48 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.91 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.41 _LACS_plot.Line_2_terminator_val_x_2 9.04 _LACS_plot.Line_2_terminator_val_y_2 2.87 _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 142 ASP 1.37 4.91 0 65 TYR -0.85 -4.56 0 10 ALA -5.32 -0.68 1 11 SER -2.80 -1.63 1 12 LEU -0.07 -0.46 1 13 VAL 1.85 -0.56 1 14 ALA -0.96 0.41 1 15 GLU 4.45 2.60 1 16 ALA 2.70 0.72 1 17 GLN -0.01 1.79 1 18 ARG 5.40 2.71 1 19 LEU 4.26 0.11 1 20 ASP -0.57 0.98 1 21 PHE 3.25 -0.44 1 22 LEU 9.04 1.45 1 24 THR 6.52 0.15 1 25 TYR 7.21 0.05 1 26 PHE 1.25 0.88 1 29 ARG 2.51 1.42 1 30 LEU -1.57 0.26 1 31 MET 5.80 -0.60 1 32 MET 5.18 2.69 1 33 ARG 2.62 1.58 1 35 GLU 3.19 -0.41 1 36 ALA 3.41 3.84 1 37 LEU 1.47 1.27 1 38 VAL 7.56 2.02 1 39 TYR 2.28 3.26 1 40 ALA 3.52 4.30 1 41 TRP 5.91 2.45 1 42 MET 2.39 1.20 1 43 ARG 2.99 1.64 1 44 ARG 2.58 2.08 1 45 LEU -0.20 -0.61 1 47 GLU 3.08 0.71 1 48 ARG 0.73 0.24 1 49 TYR 1.53 -1.39 1 50 ASN -1.92 -0.87 1 52 ALA -3.29 -1.87 1 53 TYR -0.03 -1.16 1 55 HIS -4.00 0.62 1 56 TYR -3.57 -2.95 1 57 TYR -4.24 -1.46 1 58 ALA -4.44 0.03 1 59 LEU -2.05 2.67 1 60 SER 3.87 -0.34 1 61 ASP -0.72 -0.92 1 64 PHE -0.96 -3.02 1 66 MET -7.51 -2.58 1 67 ALA -4.92 -2.74 1 69 ASP -0.25 -1.53 1 70 LEU -5.94 -2.15 1 71 ALA -1.84 0.34 1 73 ARG -2.02 -0.63 1 74 LEU -2.08 -1.95 1 75 GLU 0.70 -1.13 1 76 ILE -4.78 -1.61 1 77 GLU -5.07 -1.41 1 78 VAL 0.03 0.05 1 79 ASN 3.53 2.82 1 81 ASN -1.34 2.31 1 83 PHE 2.07 -1.01 1 84 ARG -3.01 -1.58 1 86 GLU -4.06 -0.46 1 87 LEU -6.17 -1.17 1 88 SER 0.89 -0.53 1 89 ALA 3.60 1.43 1 90 ASP 1.22 0.39 1 91 ALA 1.89 1.24 1 92 ALA 3.39 1.20 1 94 ILE 7.91 0.57 1 95 VAL 7.01 0.33 1 96 ALA 4.82 1.44 1 97 THR 7.71 1.81 1 98 LEU 5.09 2.02 1 99 PHE 5.72 3.84 1 100 ALA 2.66 1.36 1 101 LEU 1.54 1.69 1 103 GLN 5.37 2.32 1 104 LEU 2.53 0.75 1 105 ALA 3.98 1.41 1 106 ALA 2.20 2.32 1 107 GLU 1.21 1.83 1 108 ILE -0.32 -0.74 1 111 THR -0.68 0.80 1 112 ASP 2.51 1.34 1 113 ALA 0.92 0.87 1 114 ALA 3.12 1.01 1 115 ASP 4.38 1.74 1 116 ALA 3.34 2.67 1 117 LEU 3.23 1.76 1 118 ILE 4.67 2.33 1 119 ASP 4.86 1.74 1 120 ARG 6.43 3.38 1 121 TYR 5.10 0.37 1 122 HIS 5.14 5.45 1 123 PHE 1.99 4.13 1 124 LEU 4.47 -0.09 1 125 ARG 5.56 3.85 1 127 PHE 2.66 2.43 1 128 ALA 2.82 -0.73 1 129 ALA 3.36 0.55 1 131 HIS -1.34 2.78 1 133 GLU -0.62 -1.33 1 134 ALA 2.29 0.90 1 135 ALA 4.42 2.58 1 136 ALA 2.39 0.93 1 137 ILE 5.48 1.09 1 138 TYR 5.67 2.54 1 139 ARG 3.23 1.89 1 140 ALA 4.30 0.88 1 141 ILE 1.14 -0.91 1 stop_ save_