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 bmr17806_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.97 _LACS_plot.Line_1_terminator_val_y_1 -6.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.87 _LACS_plot.Line_2_terminator_val_x_2 4.17 _LACS_plot.Line_2_terminator_val_y_2 0.20 _LACS_plot.Y_axis_chem_shift_offset 2.62 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 56 ASP 4.13 2.40 0 11 ALA -5.69 -4.51 1 12 MET -0.86 -3.92 1 13 TYR -4.60 -4.17 1 14 GLU -5.81 -4.70 1 15 VAL -6.90 -7.00 1 16 THR -4.68 -5.55 1 17 ILE -1.71 -2.91 1 18 GLU -4.61 -4.72 1 19 GLN -4.72 -4.44 1 20 SER -2.20 -3.46 1 22 ASP 1.11 -3.58 1 23 PHE 2.92 -0.35 1 24 ARG 4.18 -0.42 1 25 SER 2.09 -1.31 1 26 PHE -2.97 -3.43 1 27 ILE 0.55 -3.22 1 28 LYS -1.75 -3.51 1 29 SER -2.60 -3.98 1 30 VAL -4.88 -3.67 1 31 VAL -2.55 -4.00 1 32 VAL -2.48 -4.15 1 33 VAL -4.09 -4.69 1 34 ALA -5.95 -5.66 1 35 ASN 0.13 -2.15 1 37 THR -2.09 -5.35 1 38 GLN -2.75 -3.28 1 39 LEU -5.44 -5.11 1 40 LYS -3.26 -4.43 1 41 ASP -1.90 -3.13 1 43 ALA 1.21 -1.01 1 44 THR -1.93 -3.15 1 46 GLU -1.00 -2.70 1 47 SER -0.29 -3.04 1 48 LEU -4.59 -4.14 1 49 ALA -1.07 -3.79 1 50 SER -1.90 -3.96 1 52 VAL -1.13 -3.20 1 53 ILE -1.00 -3.70 1 54 LEU -1.47 -4.26 1 55 SER -4.43 -4.90 1 57 GLU 3.45 -0.07 1 58 GLU 2.45 -0.08 1 59 LEU -1.20 -4.43 1 60 ALA 0.87 -2.06 1 61 VAL -3.92 -5.83 1 62 GLU 2.75 0.34 1 63 LYS -3.95 -4.09 1 64 VAL -3.85 -3.92 1 65 THR -2.63 -3.44 1 66 LEU -6.38 -4.36 1 67 SER -3.78 -5.15 1 68 THR 0.10 -3.25 1 69 THR 3.59 -1.12 1 71 LYS 0.96 -1.48 1 72 ALA -5.73 -5.51 1 73 ILE 1.30 -1.35 1 74 GLU -6.21 -4.24 1 75 PHE -4.93 -4.66 1 76 ALA -6.19 -4.83 1 77 VAL -4.27 -4.37 1 78 SER -4.75 -5.17 1 81 VAL -5.96 -5.68 1 82 VAL -6.02 -5.15 1 83 ASP 1.11 -2.78 1 85 GLU -2.58 -4.91 1 86 ASP 2.64 -0.87 1 88 VAL -4.72 -4.54 1 89 VAL 2.90 -2.53 1 90 ASN -0.04 -1.21 1 91 GLU 1.21 -1.79 1 93 MET -4.79 -4.01 1 94 GLN -4.98 -4.50 1 95 TRP -9.97 -7.36 1 96 VAL -0.67 -2.83 1 97 VAL -2.07 -4.07 1 98 THR -0.37 -3.33 1 99 VAL -2.89 -4.09 1 100 TYR -5.38 -5.36 1 101 LYS -5.84 -5.16 1 102 ASN 2.30 -2.27 1 104 LYS -3.46 -4.73 1 105 GLU 0.99 -1.54 1 106 ILE -2.43 -3.11 1 107 GLU -3.20 -2.31 1 108 LYS -1.75 -3.03 1 109 LYS -4.81 -4.95 1 110 SER -1.58 -4.55 1 111 LEU -5.06 -3.70 1 112 VAL -2.82 -4.32 1 113 PHE -3.85 -5.34 1 114 ARG -4.59 -4.32 1 115 ASP -0.14 -0.52 1 117 LYS 1.13 -1.91 1 118 GLU -3.44 -4.10 1 119 ILE 0.36 -2.16 1 120 SER -2.01 -4.17 1 121 THR 0.28 -2.83 1 122 ASP -0.04 -2.92 1 123 ASP 2.18 0.17 1 124 LEU -2.68 -3.61 1 125 ASN 0.56 -1.79 1 126 LEU -2.05 -4.14 1 127 TYR -2.50 -2.39 1 128 TYR -4.19 -3.58 1 129 ASN -0.67 -2.14 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17806_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.97 _LACS_plot.Line_1_terminator_val_y_1 3.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -3.84 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.87 _LACS_plot.Line_2_terminator_val_x_2 4.17 _LACS_plot.Line_2_terminator_val_y_2 -3.97 _LACS_plot.Y_axis_chem_shift_offset 2.62 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 56 ASP 4.13 -1.73 0 11 ALA -5.69 1.18 1 12 MET -0.86 -3.06 1 13 TYR -4.60 0.43 1 14 GLU -5.81 1.11 1 15 VAL -6.90 -0.10 1 16 THR -4.68 -0.87 1 17 ILE -1.71 -1.20 1 18 GLU -4.61 -0.11 1 19 GLN -4.72 0.28 1 20 SER -2.20 -1.26 1 22 ASP 1.11 -4.69 1 23 PHE 2.92 -3.27 1 24 ARG 4.18 -4.60 1 25 SER 2.09 -3.40 1 26 PHE -2.97 -0.46 1 27 ILE 0.55 -3.77 1 28 LYS -1.75 -1.76 1 29 SER -2.60 -1.38 1 30 VAL -4.88 1.21 1 31 VAL -2.55 -1.45 1 32 VAL -2.48 -1.67 1 33 VAL -4.09 -0.60 1 34 ALA -5.95 0.29 1 35 ASN 0.13 -2.28 1 37 THR -2.09 -3.26 1 38 GLN -2.75 -0.53 1 39 LEU -5.44 0.33 1 40 LYS -3.26 -1.17 1 41 ASP -1.90 -1.23 1 43 ALA 1.21 -2.22 1 44 THR -1.93 -1.22 1 46 GLU -1.00 -1.70 1 47 SER -0.29 -2.75 1 48 LEU -4.59 0.45 1 49 ALA -1.07 -2.72 1 50 SER -1.90 -2.06 1 52 VAL -1.13 -2.07 1 53 ILE -1.00 -2.70 1 54 LEU -1.47 -2.79 1 55 SER -4.43 -0.47 1 57 GLU 3.45 -3.52 1 58 GLU 2.45 -2.53 1 59 LEU -1.20 -3.23 1 60 ALA 0.87 -2.93 1 61 VAL -3.92 -1.91 1 62 GLU 2.75 -2.41 1 63 LYS -3.95 -0.14 1 64 VAL -3.85 -0.07 1 65 THR -2.63 -0.81 1 66 LEU -6.38 2.02 1 67 SER -3.78 -1.37 1 68 THR 0.10 -3.35 1 69 THR 3.59 -4.71 1 71 LYS 0.96 -2.44 1 72 ALA -5.73 0.22 1 73 ILE 1.30 -2.65 1 74 GLU -6.21 1.97 1 75 PHE -4.93 0.27 1 76 ALA -6.19 1.36 1 77 VAL -4.27 -0.10 1 78 SER -4.75 -0.42 1 81 VAL -5.96 0.28 1 82 VAL -6.02 0.87 1 83 ASP 1.11 -3.89 1 85 GLU -2.58 -2.33 1 86 ASP 2.64 -3.51 1 88 VAL -4.72 0.18 1 89 VAL 2.90 -5.43 1 90 ASN -0.04 -1.17 1 91 GLU 1.21 -3.00 1 93 MET -4.79 0.78 1 94 GLN -4.98 0.48 1 95 TRP -9.97 2.61 1 96 VAL -0.67 -2.16 1 97 VAL -2.07 -2.00 1 98 THR -0.37 -2.96 1 99 VAL -2.89 -1.20 1 100 TYR -5.38 0.02 1 101 LYS -5.84 0.68 1 102 ASN 2.30 -4.57 1 104 LYS -3.46 -1.27 1 105 GLU 0.99 -2.53 1 106 ILE -2.43 -0.68 1 107 GLU -3.20 0.89 1 108 LYS -1.75 -1.28 1 109 LYS -4.81 -0.14 1 110 SER -1.58 -2.97 1 111 LEU -5.06 1.36 1 112 VAL -2.82 -1.50 1 113 PHE -3.85 -1.49 1 114 ARG -4.59 0.27 1 115 ASP -0.14 -0.38 1 117 LYS 1.13 -3.04 1 118 GLU -3.44 -0.66 1 119 ILE 0.36 -2.52 1 120 SER -2.01 -2.16 1 121 THR 0.28 -3.11 1 122 ASP -0.04 -2.88 1 123 ASP 2.18 -2.01 1 124 LEU -2.68 -0.93 1 125 ASN 0.56 -2.35 1 126 LEU -2.05 -2.09 1 127 TYR -2.50 0.11 1 128 TYR -4.19 0.61 1 129 ASN -0.67 -1.47 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17806_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.97 _LACS_plot.Line_1_terminator_val_y_1 1.06 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.26 _LACS_plot.Line_2_terminator_val_x_2 4.17 _LACS_plot.Line_2_terminator_val_y_2 -0.37 _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 15 VAL -6.90 1.75 0 11 ALA -5.69 0.19 1 12 MET -0.86 -0.07 1 13 TYR -4.60 0.77 1 14 GLU -5.81 0.68 1 16 THR -4.68 1.05 1 17 ILE -1.71 0.12 1 18 GLU -4.61 0.59 1 19 GLN -4.72 1.16 1 20 SER -2.20 0.46 1 22 ASP 1.11 0.30 1 23 PHE 2.92 0.35 1 24 ARG 4.18 -0.39 1 25 SER 2.09 -0.27 1 26 PHE -2.97 -0.21 1 27 ILE 0.55 0.78 1 28 LYS -1.75 0.57 1 29 SER -2.60 0.55 1 30 VAL -4.88 0.75 1 31 VAL -2.55 0.83 1 32 VAL -2.48 0.49 1 33 VAL -4.09 0.00 1 34 ALA -5.95 0.72 1 35 ASN 0.13 -0.02 1 37 THR -2.09 0.30 1 38 GLN -2.75 0.41 1 39 LEU -5.44 0.82 1 40 LYS -3.26 0.65 1 41 ASP -1.90 0.25 1 43 ALA 1.21 0.04 1 44 THR -1.93 0.04 1 46 GLU -1.00 -0.21 1 47 SER -0.29 0.41 1 48 LEU -4.59 0.22 1 49 ALA -1.07 -0.05 1 50 SER -1.90 -0.13 1 52 VAL -1.13 0.00 1 53 ILE -1.00 0.39 1 54 LEU -1.47 0.20 1 55 SER -4.43 0.60 1 56 ASP 4.13 -0.25 1 57 GLU 3.45 -0.31 1 58 GLU 2.45 -0.14 1 59 LEU -1.20 0.09 1 60 ALA 0.87 0.25 1 61 VAL -3.92 0.42 1 62 GLU 2.75 -0.72 1 63 LYS -3.95 1.07 1 64 VAL -3.85 0.11 1 65 THR -2.63 0.88 1 66 LEU -6.38 1.03 1 67 SER -3.78 0.86 1 68 THR 0.10 0.71 1 69 THR 3.59 -0.38 1 71 LYS 0.96 -0.58 1 72 ALA -5.73 0.53 1 73 ILE 1.30 -0.12 1 74 GLU -6.21 0.52 1 75 PHE -4.93 0.54 1 76 ALA -6.19 0.65 1 77 VAL -4.27 0.57 1 78 SER -4.75 0.73 1 81 VAL -5.96 0.75 1 82 VAL -6.02 -0.02 1 83 ASP 1.11 -0.65 1 85 GLU -2.58 0.26 1 86 ASP 2.64 -0.28 1 88 VAL -4.72 -0.08 1 89 VAL 2.90 -0.06 1 90 ASN -0.04 -0.16 1 91 GLU 1.21 -0.14 1 93 MET -4.79 0.69 1 94 GLN -4.98 0.93 1 95 TRP -9.97 0.95 1 96 VAL -0.67 0.76 1 97 VAL -2.07 0.81 1 98 THR -0.37 0.65 1 99 VAL -2.89 0.76 1 100 TYR -5.38 0.40 1 101 LYS -5.84 0.22 1 102 ASN 2.30 -0.59 1 104 LYS -3.46 0.28 1 105 GLU 0.99 -0.79 1 106 ILE -2.43 0.42 1 107 GLU -3.20 0.02 1 108 LYS -1.75 0.83 1 109 LYS -4.81 0.41 1 110 SER -1.58 0.96 1 111 LEU -5.06 0.15 1 112 VAL -2.82 0.23 1 113 PHE -3.85 0.18 1 114 ARG -4.59 0.30 1 115 ASP -0.14 -0.37 1 117 LYS 1.13 -0.12 1 118 GLU -3.44 0.24 1 119 ILE 0.36 -0.26 1 120 SER -2.01 0.15 1 121 THR 0.28 -0.07 1 122 ASP -0.04 0.09 1 123 ASP 2.18 -0.15 1 124 LEU -2.68 0.09 1 125 ASN 0.56 0.12 1 126 LEU -2.05 0.27 1 127 TYR -2.50 0.20 1 128 TYR -4.19 -0.13 1 129 ASN -0.67 -0.31 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17806_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.97 _LACS_plot.Line_1_terminator_val_y_1 -6.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.46 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -3.82 _LACS_plot.Line_2_terminator_val_x_2 4.17 _LACS_plot.Line_2_terminator_val_y_2 -1.72 _LACS_plot.Y_axis_chem_shift_offset 3.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 95 TRP -9.97 -2.76 0 11 ALA -5.69 -5.69 1 12 MET -0.86 -3.21 1 13 TYR -4.60 -3.35 1 14 GLU -5.81 -6.06 1 15 VAL -6.90 -6.73 1 16 THR -4.68 -3.81 1 17 ILE -1.71 -4.93 1 18 GLU -4.61 -3.28 1 19 GLN -4.72 -4.01 1 20 SER -2.20 -2.24 1 22 ASP 1.11 -0.92 1 23 PHE 2.92 -0.61 1 24 ARG 4.18 -2.01 1 25 SER 2.09 -4.72 1 26 PHE -2.97 -3.76 1 27 ILE 0.55 -1.52 1 28 LYS -1.75 -3.67 1 29 SER -2.60 -3.89 1 30 VAL -4.88 -5.83 1 31 VAL -2.55 -3.70 1 32 VAL -2.48 -5.29 1 33 VAL -4.09 -4.98 1 34 ALA -5.95 -5.94 1 35 ASN 0.13 -1.20 1 37 THR -2.09 -4.97 1 38 GLN -2.75 -3.62 1 39 LEU -5.44 -5.57 1 40 LYS -3.26 -2.77 1 41 ASP -1.90 -1.06 1 43 ALA 1.21 -0.87 1 44 THR -1.93 -0.69 1 46 GLU -1.00 -3.83 1 47 SER -0.29 -3.65 1 48 LEU -4.59 -4.80 1 49 ALA -1.07 -3.98 1 52 VAL -1.13 -4.80 1 53 ILE -1.00 -3.06 1 54 LEU -1.47 -5.10 1 55 SER -4.43 -2.49 1 56 ASP 4.13 -0.34 1 57 GLU 3.45 -0.41 1 58 GLU 2.45 -2.52 1 59 LEU -1.20 -4.69 1 60 ALA 0.87 -3.20 1 61 VAL -3.92 -4.43 1 62 GLU 2.75 -4.16 1 63 LYS -3.95 -4.63 1 64 VAL -3.85 -4.83 1 65 THR -2.63 -3.92 1 66 LEU -6.38 -4.89 1 67 SER -3.78 -3.19 1 68 THR 0.10 -1.09 1 69 THR 3.59 -2.01 1 71 LYS 0.96 -3.38 1 72 ALA -5.73 -2.39 1 73 ILE 1.30 -2.99 1 74 GLU -6.21 -5.56 1 75 PHE -4.93 -6.42 1 76 ALA -6.19 -5.67 1 77 VAL -4.27 -5.27 1 78 SER -4.75 -4.52 1 81 VAL -5.96 -4.97 1 82 VAL -6.02 -4.94 1 83 ASP 1.11 -2.90 1 85 GLU -2.58 -2.76 1 86 ASP 2.64 -1.85 1 88 VAL -4.72 -4.32 1 89 VAL 2.90 -4.19 1 90 ASN -0.04 -2.44 1 93 MET -4.79 -6.09 1 94 GLN -4.98 -4.21 1 96 VAL -0.67 -2.37 1 97 VAL -2.07 -4.81 1 98 THR -0.37 -4.69 1 99 VAL -2.89 -4.89 1 100 TYR -5.38 -4.23 1 101 LYS -5.84 -2.81 1 102 ASN 2.30 -2.62 1 104 LYS -3.46 -3.92 1 105 GLU 0.99 -2.55 1 106 ILE -2.43 -3.82 1 107 GLU -3.20 -6.41 1 108 LYS -1.75 -4.10 1 109 LYS -4.81 -4.97 1 110 SER -1.58 -3.56 1 111 LEU -5.06 -6.19 1 112 VAL -2.82 -4.60 1 113 PHE -3.85 -5.26 1 114 ARG -4.59 -3.99 1 115 ASP -0.14 -1.55 1 117 LYS 1.13 -3.39 1 119 ILE 0.36 -3.77 1 120 SER -2.01 -2.66 1 121 THR 0.28 -2.81 1 122 ASP -0.04 -3.02 1 123 ASP 2.18 -3.09 1 124 LEU -2.68 -5.12 1 125 ASN 0.56 -5.19 1 126 LEU -2.05 -3.98 1 127 TYR -2.50 -6.49 1 128 TYR -4.19 -5.90 1 stop_ save_