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 bmr26936_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.38 _LACS_plot.Line_1_terminator_val_y_1 -2.96 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.44 _LACS_plot.Line_2_terminator_val_x_2 5.97 _LACS_plot.Line_2_terminator_val_y_2 4.85 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 33 MET -6.26 2.19 0 12 LEU -2.09 -0.61 1 13 VAL -5.12 -2.53 1 14 ARG 0.68 -0.13 1 18 SER -5.67 -2.02 1 19 ARG -6.64 -0.84 1 20 ARG -2.98 -1.39 1 21 LEU -3.36 -2.08 1 22 SER -5.90 -1.87 1 24 VAL -6.08 -2.44 1 25 ASP -1.65 -1.23 1 26 SER 3.62 2.99 1 27 GLU -0.35 -0.18 1 28 ARG 5.97 2.03 1 29 THR 1.58 0.49 1 30 SER -3.10 -0.61 1 31 TYR -4.29 -2.83 1 35 TRP -6.12 -1.62 1 36 PHE -6.17 -1.39 1 37 ARG -3.19 -1.43 1 38 ARG -4.85 -0.21 1 39 ALA -1.25 -2.14 1 42 LYS -3.88 -1.59 1 43 GLU -2.29 -1.23 1 44 ARG 1.39 1.46 1 45 GLU -6.65 -2.48 1 46 PHE 1.52 1.86 1 47 VAL 1.48 1.99 1 48 ALA -4.62 -0.49 1 49 SER -4.16 -0.54 1 50 ILE -4.69 -0.43 1 51 THR -1.34 0.45 1 52 TRP 4.76 3.96 1 53 SER 0.95 0.34 1 55 ILE -3.82 -1.42 1 56 ASP 3.27 2.57 1 58 THR -1.34 0.38 1 59 TYR -4.81 -0.50 1 60 ALA -0.43 0.07 1 61 ASP 4.08 3.48 1 62 SER 2.68 1.83 1 63 VAL -0.73 -1.60 1 64 ALA 2.46 2.12 1 65 ASP 0.05 1.58 1 66 ARG 0.45 1.49 1 67 PHE -4.65 -4.82 1 68 THR -2.97 -0.64 1 69 ILE -5.65 -2.74 1 70 SER -2.55 -0.63 1 71 ARG -5.89 -1.11 1 72 ASP -2.67 -2.11 1 73 VAL 5.09 4.18 1 74 ALA 3.60 2.82 1 75 ASN -0.32 -0.47 1 76 ASN 1.54 1.06 1 77 THR -2.17 -0.31 1 78 LEU -7.98 -2.29 1 79 TYR -4.26 -0.79 1 80 LEU -2.15 -1.47 1 81 GLN -0.55 -0.82 1 82 MET -2.90 -0.83 1 83 ASN -4.11 -1.72 1 84 SER 1.08 -0.72 1 85 LEU 1.40 1.76 1 86 LYS -5.48 -2.10 1 87 HIS 5.23 6.47 1 88 GLU 3.48 2.34 1 89 ASP -0.46 0.93 1 90 THR 3.03 2.91 1 91 ALA -1.89 0.20 1 92 VAL 1.30 0.66 1 93 TYR -1.83 0.08 1 94 TYR -4.86 -1.42 1 96 ALA -4.38 -2.53 1 97 ALA -9.38 -2.41 1 98 ARG -3.50 -1.10 1 99 ALA 0.26 0.30 1 101 VAL -0.61 -0.53 1 103 GLN -1.25 -0.26 1 105 SER 0.01 0.25 1 106 SER -1.58 -0.74 1 108 TYR -0.56 -0.71 1 109 ASP -1.18 -0.21 1 110 TYR -1.15 0.55 1 111 ASP -1.13 2.24 1 112 TYR -5.60 -1.71 1 113 TRP -5.00 -1.52 1 115 GLN 1.33 1.99 1 117 THR -2.66 -1.47 1 118 GLN 0.61 0.83 1 119 VAL -0.67 0.17 1 120 THR -0.81 -0.01 1 121 VAL -0.27 -2.04 1 122 SER -2.85 -1.25 1 123 SER -0.01 0.12 1 124 LEU 0.69 0.45 1 125 GLU 1.04 1.24 1 126 VAL 0.82 0.47 1 127 LEU 0.41 0.22 1 128 PHE -0.01 0.10 1 129 GLN 0.54 1.72 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26936_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.38 _LACS_plot.Line_1_terminator_val_y_1 6.42 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.56 _LACS_plot.Line_2_terminator_val_x_2 5.97 _LACS_plot.Line_2_terminator_val_y_2 -1.12 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 33 MET -6.26 8.45 0 12 LEU -2.09 1.48 1 13 VAL -5.12 2.59 1 14 ARG 0.68 -0.81 1 18 SER -5.67 3.65 1 19 ARG -6.64 5.80 1 20 ARG -2.98 1.59 1 21 LEU -3.36 1.28 1 22 SER -5.90 4.03 1 24 VAL -6.08 3.64 1 25 ASP -1.65 0.42 1 26 SER 3.62 -0.63 1 27 GLU -0.35 0.17 1 28 ARG 5.97 -3.94 1 29 THR 1.58 -1.09 1 30 SER -3.10 2.49 1 31 TYR -4.29 1.46 1 35 TRP -6.12 4.50 1 36 PHE -6.17 4.78 1 37 ARG -3.19 1.76 1 38 ARG -4.85 4.64 1 39 ALA -1.25 -0.89 1 42 LYS -3.88 2.29 1 43 GLU -2.29 1.06 1 44 ARG 1.39 0.07 1 45 GLU -6.65 4.17 1 46 PHE 1.52 0.34 1 47 VAL 1.48 0.51 1 48 ALA -4.62 4.13 1 49 SER -4.16 3.62 1 50 ILE -4.69 4.26 1 51 THR -1.34 1.79 1 52 TRP 4.76 -0.80 1 53 SER 0.95 -0.61 1 55 ILE -3.82 2.40 1 56 ASP 3.27 -0.70 1 58 THR -1.34 1.72 1 59 TYR -4.81 4.31 1 60 ALA -0.43 0.50 1 61 ASP 4.08 -0.60 1 62 SER 2.68 -0.85 1 63 VAL -0.73 -0.87 1 64 ALA 2.46 -0.34 1 65 ASP 0.05 1.53 1 66 ARG 0.45 1.04 1 67 PHE -4.65 -0.17 1 68 THR -2.97 2.33 1 69 ILE -5.65 2.91 1 70 SER -2.55 1.92 1 71 ARG -5.89 4.78 1 72 ASP -2.67 0.56 1 73 VAL 5.09 -0.91 1 74 ALA 3.60 -0.78 1 75 ASN -0.32 -0.15 1 76 ASN 1.54 -0.48 1 77 THR -2.17 1.86 1 78 LEU -7.98 5.69 1 79 TYR -4.26 3.47 1 80 LEU -2.15 0.68 1 81 GLN -0.55 -0.27 1 82 MET -2.90 2.07 1 83 ASN -4.11 2.39 1 84 SER 1.08 -1.80 1 85 LEU 1.40 0.36 1 86 LYS -5.48 3.38 1 87 HIS 5.23 1.24 1 88 GLU 3.48 -1.14 1 89 ASP -0.46 1.39 1 90 THR 3.03 -0.12 1 91 ALA -1.89 2.09 1 92 VAL 1.30 -0.64 1 93 TYR -1.83 1.91 1 94 TYR -4.86 3.44 1 96 ALA -4.38 1.85 1 97 ALA -9.38 6.97 1 98 ARG -3.50 2.40 1 99 ALA 0.26 0.04 1 101 VAL -0.61 0.08 1 103 GLN -1.25 0.99 1 105 SER 0.01 0.24 1 106 SER -1.58 0.84 1 108 TYR -0.56 -0.15 1 109 ASP -1.18 0.97 1 110 TYR -1.15 1.70 1 111 ASP -1.13 3.37 1 112 TYR -5.60 3.89 1 113 TRP -5.00 3.48 1 115 GLN 1.33 0.66 1 117 THR -2.66 1.19 1 118 GLN 0.61 0.22 1 119 VAL -0.67 0.84 1 120 THR -0.81 0.80 1 121 VAL -0.27 -1.77 1 122 SER -2.85 1.60 1 123 SER -0.01 0.13 1 124 LEU 0.69 -0.24 1 125 GLU 1.04 0.20 1 126 VAL 0.82 -0.35 1 127 LEU 0.41 -0.19 1 128 PHE -0.01 0.11 1 129 GLN 0.54 1.18 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26936_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.38 _LACS_plot.Line_1_terminator_val_y_1 1.14 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.31 _LACS_plot.Line_2_terminator_val_x_2 5.97 _LACS_plot.Line_2_terminator_val_y_2 -0.72 _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 37 ARG -3.19 1.57 0 12 LEU -2.09 0.82 1 13 VAL -5.12 0.35 1 14 ARG 0.68 0.19 1 18 SER -5.67 1.12 1 19 ARG -6.64 0.00 1 20 ARG -2.98 0.73 1 21 LEU -3.36 0.80 1 22 SER -5.90 1.33 1 24 VAL -6.08 0.81 1 25 ASP -1.65 0.56 1 26 SER 3.62 -0.21 1 27 GLU -0.35 0.03 1 28 ARG 5.97 -0.76 1 29 THR 1.58 -0.35 1 30 SER -3.10 -0.16 1 31 TYR -4.29 0.85 1 33 MET -6.26 0.00 1 35 TRP -6.12 1.12 1 36 PHE -6.17 0.65 1 38 ARG -4.85 0.55 1 39 ALA -1.25 0.58 1 42 LYS -3.88 0.47 1 43 GLU -2.29 0.05 1 44 ARG 1.39 0.18 1 45 GLU -6.65 0.78 1 46 PHE 1.52 -1.11 1 47 VAL 1.48 -0.25 1 48 ALA -4.62 0.55 1 49 SER -4.16 0.83 1 50 ILE -4.69 0.37 1 51 THR -1.34 0.23 1 52 TRP 4.76 -0.71 1 53 SER 0.95 -0.57 1 55 ILE -3.82 0.55 1 56 ASP 3.27 -0.32 1 58 THR -1.34 0.19 1 59 TYR -4.81 0.57 1 60 ALA -0.43 0.27 1 61 ASP 4.08 -0.28 1 62 SER 2.68 -0.27 1 63 VAL -0.73 0.02 1 64 ALA 2.46 -0.77 1 65 ASP 0.05 -0.34 1 66 ARG 0.45 0.26 1 67 PHE -4.65 1.32 1 68 THR -2.97 0.89 1 69 ILE -5.65 1.30 1 70 SER -2.55 0.18 1 71 ARG -5.89 0.86 1 72 ASP -2.67 0.23 1 73 VAL 5.09 -0.78 1 74 ALA 3.60 -0.15 1 75 ASN -0.32 0.18 1 76 ASN 1.54 -0.36 1 77 THR -2.17 0.61 1 78 LEU -7.98 0.51 1 79 TYR -4.26 1.30 1 80 LEU -2.15 0.36 1 81 GLN -0.55 -0.08 1 82 MET -2.90 -0.62 1 83 ASN -4.11 0.38 1 84 SER 1.08 -0.36 1 85 LEU 1.40 -0.38 1 86 LYS -5.48 0.41 1 87 HIS 5.23 -0.53 1 88 GLU 3.48 -0.07 1 89 ASP -0.46 0.15 1 90 THR 3.03 0.21 1 91 ALA -1.89 0.17 1 92 VAL 1.30 0.01 1 93 TYR -1.83 0.36 1 94 TYR -4.86 0.62 1 96 ALA -4.38 0.14 1 97 ALA -9.38 0.90 1 98 ARG -3.50 0.67 1 99 ALA 0.26 -0.02 1 101 VAL -0.61 0.00 1 103 GLN -1.25 0.11 1 105 SER 0.01 -0.03 1 108 TYR -0.56 0.19 1 109 ASP -1.18 0.22 1 110 TYR -1.15 -0.44 1 111 ASP -1.13 -0.19 1 112 TYR -5.60 0.48 1 113 TRP -5.00 0.42 1 115 GLN 1.33 0.03 1 117 THR -2.66 0.39 1 118 GLN 0.61 0.22 1 119 VAL -0.67 0.49 1 120 THR -0.81 0.23 1 121 VAL -0.27 0.72 1 122 SER -2.85 0.27 1 123 SER -0.01 0.10 1 124 LEU 0.69 -0.01 1 125 GLU 1.04 -0.17 1 126 VAL 0.82 -0.08 1 127 LEU 0.41 -0.12 1 128 PHE -0.01 -0.08 1 129 GLN 0.54 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26936_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.38 _LACS_plot.Line_1_terminator_val_y_1 -2.89 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.00 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.00 _LACS_plot.Line_2_terminator_val_x_2 5.97 _LACS_plot.Line_2_terminator_val_y_2 1.00 _LACS_plot.Y_axis_chem_shift_offset 0.50 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 28 ARG 5.97 -1.69 0 129 GLN 0.54 4.29 0 87 HIS 5.23 4.63 0 12 LEU -2.09 -0.86 1 13 VAL -5.12 -3.29 1 14 ARG 0.68 0.06 1 18 SER -5.67 -0.61 1 19 ARG -6.64 -3.68 1 20 ARG -2.98 -0.84 1 21 LEU -3.36 -0.49 1 22 SER -5.90 -0.83 1 24 VAL -6.08 -3.04 1 25 ASP -1.65 3.03 1 26 SER 3.62 1.14 1 27 GLU -0.35 -0.15 1 29 THR 1.58 -2.04 1 30 SER -3.10 -2.12 1 31 TYR -4.29 0.31 1 33 MET -6.26 -4.08 1 35 TRP -6.12 -1.28 1 36 PHE -6.17 -1.09 1 37 ARG -3.19 -2.73 1 38 ARG -4.85 -1.12 1 39 ALA -1.25 -3.28 1 42 LYS -3.88 -0.50 1 43 GLU -2.29 0.07 1 44 ARG 1.39 -0.63 1 45 GLU -6.65 -1.40 1 46 PHE 1.52 -1.68 1 47 VAL 1.48 -3.81 1 48 ALA -4.62 -3.28 1 49 SER -4.16 -2.94 1 50 ILE -4.69 -3.16 1 51 THR -1.34 2.35 1 52 TRP 4.76 1.83 1 53 SER 0.95 0.36 1 55 ILE -3.82 -1.96 1 56 ASP 3.27 -2.68 1 58 THR -1.34 -2.39 1 59 TYR -4.81 1.02 1 60 ALA -0.43 1.35 1 61 ASP 4.08 2.20 1 62 SER 2.68 1.32 1 63 VAL -0.73 -0.56 1 64 ALA 2.46 -0.31 1 65 ASP 0.05 0.09 1 66 ARG 0.45 -0.86 1 67 PHE -4.65 -0.90 1 68 THR -2.97 -0.28 1 69 ILE -5.65 -4.81 1 70 SER -2.55 -2.67 1 71 ARG -5.89 -2.67 1 72 ASP -2.67 0.59 1 73 VAL 5.09 3.09 1 74 ALA 3.60 1.69 1 75 ASN -0.32 0.34 1 76 ASN 1.54 -2.43 1 77 THR -2.17 -4.00 1 78 LEU -7.98 -3.12 1 79 TYR -4.26 0.61 1 80 LEU -2.15 -3.35 1 81 GLN -0.55 -1.90 1 82 MET -2.90 -2.94 1 83 ASN -4.11 -1.88 1 84 SER 1.08 1.50 1 85 LEU 1.40 -0.46 1 86 LYS -5.48 0.99 1 88 GLU 3.48 -0.64 1 89 ASP -0.46 0.71 1 90 THR 3.03 -0.30 1 91 ALA -1.89 -2.44 1 92 VAL 1.30 -1.04 1 93 TYR -1.83 -1.19 1 94 TYR -4.86 -1.04 1 96 ALA -4.38 -2.07 1 97 ALA -9.38 -1.52 1 98 ARG -3.50 -0.77 1 99 ALA 0.26 0.90 1 101 VAL -0.61 -0.29 1 103 GLN -1.25 -0.30 1 105 SER 0.01 -0.39 1 108 TYR -0.56 -0.81 1 109 ASP -1.18 -1.77 1 110 TYR -1.15 -2.01 1 111 ASP -1.13 -1.19 1 112 TYR -5.60 -2.88 1 113 TRP -5.00 1.74 1 115 GLN 1.33 1.58 1 117 THR -2.66 -1.89 1 118 GLN 0.61 -0.13 1 119 VAL -0.67 -1.95 1 120 THR -0.81 -2.88 1 121 VAL -0.27 -0.54 1 122 SER -2.85 -0.90 1 123 SER -0.01 -0.22 1 124 LEU 0.69 -0.54 1 125 GLU 1.04 0.63 1 126 VAL 0.82 -0.35 1 127 LEU 0.41 -1.65 1 128 PHE -0.01 -0.98 1 stop_ save_