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 bmr19297_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.95 _LACS_plot.Line_1_terminator_val_y_1 -3.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.03 _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 7.08 _LACS_plot.Line_2_terminator_val_y_2 5.19 _LACS_plot.Y_axis_chem_shift_offset -0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 ARG -6.76 -0.34 0 72 ASP 1.09 -2.38 0 122 ASP -6.41 -5.78 0 29 TRP 4.87 6.56 0 10 LYS -8.95 -3.99 1 12 TRP -4.59 -0.13 1 13 THR -1.00 1.05 1 14 PHE -1.08 0.39 1 15 PHE 0.16 1.54 1 18 ASN -6.01 -0.83 1 20 TYR -3.50 -0.64 1 21 PHE -2.83 -2.32 1 22 MET -0.63 -1.49 1 23 SER 2.23 0.93 1 24 ASN -1.49 -0.63 1 25 SER -2.87 -1.46 1 26 GLN -4.04 -0.79 1 28 ASN -1.88 -3.28 1 30 HIS 4.31 5.30 1 31 ASP 3.60 1.92 1 32 SER 7.08 5.25 1 33 VAL 6.16 4.87 1 34 THR 5.40 4.19 1 35 ALA 4.16 2.77 1 37 GLN 5.32 4.06 1 38 GLU 4.34 3.62 1 39 VAL 0.34 -2.23 1 40 ARG 5.43 0.96 1 41 ALA -8.01 -2.52 1 42 GLN -6.02 -1.58 1 43 LEU 2.13 2.67 1 44 VAL 2.39 3.11 1 45 VAL -1.88 -1.78 1 46 ILE 1.25 0.22 1 47 LYS -3.02 -0.98 1 48 THR -6.31 -2.43 1 49 ALA 3.23 2.60 1 50 GLU 4.89 4.11 1 51 GLU 2.60 3.08 1 52 GLN 6.35 3.12 1 53 ASN 4.00 3.49 1 54 PHE 3.34 2.82 1 55 LEU 2.26 2.17 1 56 GLN 3.83 3.32 1 57 LEU 3.67 2.82 1 58 GLN 4.23 2.61 1 59 THR 4.80 3.64 1 60 SER 3.96 3.28 1 61 ARG 3.48 2.64 1 62 SER -0.14 0.23 1 63 ASN 2.50 1.18 1 64 ARG -2.38 -0.87 1 65 PHE 0.17 -0.92 1 66 SER -5.36 -1.79 1 67 TRP -4.92 -0.18 1 68 MET -7.11 -1.99 1 70 LEU -4.16 -0.03 1 71 SER -3.55 0.66 1 73 LEU 0.20 2.27 1 74 ASN 3.46 3.08 1 75 GLN -1.65 -0.42 1 76 GLU 1.83 0.48 1 78 THR 0.36 0.02 1 79 TRP 0.43 0.41 1 80 GLN -5.57 -1.03 1 81 TRP -4.49 -0.09 1 82 VAL 2.97 2.37 1 83 ASP -0.08 -0.65 1 85 SER 0.78 0.80 1 87 LEU -1.06 0.01 1 88 SER -1.51 -1.47 1 90 SER 3.33 2.56 1 91 PHE 0.19 -0.31 1 92 GLN 2.91 3.36 1 93 ARG 2.10 0.44 1 94 TYR 4.36 0.47 1 95 TRP -0.73 0.27 1 96 ASN -0.18 0.11 1 97 SER 2.98 2.23 1 99 GLU -3.76 -4.04 1 103 SER 2.76 1.22 1 105 ASN 4.40 2.26 1 106 GLU -2.34 -0.51 1 107 ASP -3.18 -2.73 1 109 ALA -2.79 -0.45 1 110 GLU -7.85 -4.21 1 111 PHE -0.03 1.44 1 112 SER -2.74 -1.88 1 114 SER -0.09 0.43 1 116 TRP -7.44 -4.48 1 117 ASN -4.63 -1.09 1 118 ASP -4.55 -1.82 1 119 ASN -6.81 -3.77 1 120 ARG 0.61 0.74 1 123 VAL 0.60 0.83 1 124 ASP -0.20 0.04 1 125 ASN -5.45 -2.57 1 126 TYR 4.82 4.50 1 133 ALA 0.42 0.31 1 134 ALA -3.30 -1.31 1 137 ARG 0.03 0.29 1 138 ASP 0.21 0.36 1 139 GLU -0.30 1.41 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19297_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.95 _LACS_plot.Line_1_terminator_val_y_1 5.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.97 _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 7.08 _LACS_plot.Line_2_terminator_val_y_2 -1.89 _LACS_plot.Y_axis_chem_shift_offset -0.27 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 ARG -6.76 6.42 0 72 ASP 1.09 -3.47 0 122 ASP -6.41 0.63 0 29 TRP 4.87 1.69 0 10 LYS -8.95 4.96 1 12 TRP -4.59 4.46 1 13 THR -1.00 2.05 1 14 PHE -1.08 1.47 1 15 PHE 0.16 1.38 1 18 ASN -6.01 5.18 1 20 TYR -3.50 2.86 1 21 PHE -2.83 0.51 1 22 MET -0.63 -0.86 1 23 SER 2.23 -1.30 1 24 ASN -1.49 0.86 1 25 SER -2.87 1.41 1 26 GLN -4.04 3.25 1 28 ASN -1.88 -1.40 1 30 HIS 4.31 0.99 1 31 ASP 3.60 -1.68 1 32 SER 7.08 -1.83 1 33 VAL 6.16 -1.29 1 34 THR 5.40 -1.21 1 35 ALA 4.16 -1.39 1 37 GLN 5.32 -1.26 1 38 GLU 4.34 -0.72 1 39 VAL 0.34 -2.57 1 40 ARG 5.43 -4.47 1 41 ALA -8.01 5.49 1 42 GLN -6.02 4.44 1 43 LEU 2.13 0.54 1 44 VAL 2.39 0.72 1 45 VAL -1.88 0.10 1 46 ILE 1.25 -1.03 1 47 LYS -3.02 2.04 1 48 THR -6.31 3.88 1 49 ALA 3.23 -0.63 1 50 GLU 4.89 -0.78 1 51 GLU 2.60 0.48 1 52 GLN 6.35 -3.23 1 53 ASN 4.00 -0.51 1 54 PHE 3.34 -0.52 1 55 LEU 2.26 -0.09 1 56 GLN 3.83 -0.51 1 57 LEU 3.67 -0.85 1 58 GLN 4.23 -1.62 1 59 THR 4.80 -1.16 1 60 SER 3.96 -0.68 1 61 ARG 3.48 -0.84 1 62 SER -0.14 0.37 1 63 ASN 2.50 -1.32 1 64 ARG -2.38 1.51 1 65 PHE 0.17 -1.09 1 66 SER -5.36 3.57 1 67 TRP -4.92 4.74 1 68 MET -7.11 5.12 1 70 LEU -4.16 4.13 1 71 SER -3.55 4.21 1 73 LEU 0.20 2.07 1 74 ASN 3.46 -0.38 1 75 GLN -1.65 1.23 1 76 GLU 1.83 -1.35 1 78 THR 0.36 -0.34 1 79 TRP 0.43 -0.02 1 80 GLN -5.57 4.54 1 81 TRP -4.49 4.40 1 82 VAL 2.97 -0.60 1 83 ASP -0.08 -0.57 1 85 SER 0.78 0.02 1 87 LEU -1.06 1.07 1 88 SER -1.51 0.04 1 90 SER 3.33 -0.77 1 91 PHE 0.19 -0.50 1 92 GLN 2.91 0.45 1 93 ARG 2.10 -1.66 1 94 TYR 4.36 -3.89 1 95 TRP -0.73 1.00 1 96 ASN -0.18 0.29 1 97 SER 2.98 -0.75 1 99 GLU -3.76 -0.28 1 103 SER 2.76 -1.54 1 105 ASN 4.40 -2.14 1 106 GLU -2.34 1.83 1 107 ASP -3.18 0.45 1 109 ALA -2.79 2.34 1 110 GLU -7.85 3.64 1 111 PHE -0.03 1.47 1 112 SER -2.74 0.86 1 114 SER -0.09 0.52 1 116 TRP -7.44 2.96 1 117 ASN -4.63 3.54 1 118 ASP -4.55 2.73 1 119 ASN -6.81 3.04 1 120 ARG 0.61 0.13 1 123 VAL 0.60 0.23 1 124 ASP -0.20 0.24 1 125 ASN -5.45 2.88 1 126 TYR 4.82 -0.32 1 133 ALA 0.42 -0.11 1 134 ALA -3.30 1.99 1 137 ARG 0.03 0.26 1 138 ASP 0.21 0.15 1 139 GLU -0.30 1.71 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19297_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.01 _LACS_plot.Line_1_terminator_val_y_1 1.04 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.36 _LACS_plot.Line_2_terminator_val_x_2 7.08 _LACS_plot.Line_2_terminator_val_y_2 -0.79 _LACS_plot.Y_axis_chem_shift_offset -0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 29 TRP 4.87 -1.78 0 122 ASP -6.41 -0.41 0 12 TRP -4.59 0.65 1 14 PHE -1.08 0.94 1 15 PHE 0.16 -0.63 1 18 ASN -6.01 0.66 1 20 TYR -3.50 1.31 1 21 PHE -2.83 -0.34 1 22 MET -0.63 0.01 1 24 ASN -1.49 0.38 1 27 ARG -6.76 0.65 1 30 HIS 4.31 -0.81 1 31 ASP 3.60 -0.14 1 32 SER 7.08 -1.32 1 33 VAL 6.16 -0.84 1 35 ALA 4.16 -0.25 1 37 GLN 5.32 0.05 1 38 GLU 4.34 -0.17 1 39 VAL 0.34 0.65 1 40 ARG 5.43 -0.32 1 41 ALA -8.01 0.68 1 42 GLN -6.02 0.78 1 43 LEU 2.13 0.69 1 44 VAL 2.39 -0.26 1 45 VAL -1.88 0.25 1 46 ILE 1.25 -0.43 1 47 LYS -3.02 0.17 1 48 THR -6.31 0.94 1 49 ALA 3.23 -0.17 1 52 GLN 6.35 -0.01 1 54 PHE 3.34 -0.56 1 55 LEU 2.26 -1.18 1 56 GLN 3.83 -0.67 1 57 LEU 3.67 -0.29 1 58 GLN 4.23 -0.62 1 59 THR 4.80 -0.60 1 60 SER 3.96 -0.14 1 61 ARG 3.48 -0.15 1 62 SER -0.14 1.20 1 63 ASN 2.50 -0.42 1 64 ARG -2.38 0.10 1 65 PHE 0.17 0.53 1 66 SER -5.36 0.89 1 67 TRP -4.92 0.70 1 68 MET -7.11 0.94 1 70 LEU -4.16 0.59 1 71 SER -3.55 0.95 1 72 ASP 1.09 -0.04 1 73 LEU 0.20 -0.63 1 74 ASN 3.46 -0.30 1 75 GLN -1.65 -0.10 1 76 GLU 1.83 -0.42 1 78 THR 0.36 0.26 1 79 TRP 0.43 -0.40 1 80 GLN -5.57 0.66 1 81 TRP -4.49 1.27 1 82 VAL 2.97 0.31 1 83 ASP -0.08 0.17 1 85 SER 0.78 0.09 1 87 LEU -1.06 -0.36 1 88 SER -1.51 0.71 1 90 SER 3.33 -0.08 1 91 PHE 0.19 -0.03 1 92 GLN 2.91 -0.11 1 93 ARG 2.10 -0.18 1 94 TYR 4.36 -0.43 1 95 TRP -0.73 -0.17 1 97 SER 2.98 -0.13 1 103 SER 2.76 -0.34 1 105 ASN 4.40 -0.70 1 106 GLU -2.34 -0.24 1 107 ASP -3.18 0.86 1 109 ALA -2.79 1.22 1 110 GLU -7.85 1.32 1 111 PHE -0.03 -0.57 1 116 TRP -7.44 1.35 1 117 ASN -4.63 0.86 1 118 ASP -4.55 0.73 1 119 ASN -6.81 0.74 1 123 VAL 0.60 0.09 1 124 ASP -0.20 0.56 1 125 ASN -5.45 0.50 1 137 ARG 0.03 -0.15 1 138 ASP 0.21 0.62 1 139 GLU -0.30 -0.14 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr19297_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.95 _LACS_plot.Line_1_terminator_val_y_1 -1.80 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.58 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.62 _LACS_plot.Line_2_terminator_val_x_2 7.08 _LACS_plot.Line_2_terminator_val_y_2 2.16 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 81 TRP -4.49 5.35 0 10 LYS -8.95 -0.40 1 12 TRP -4.59 0.09 1 13 THR -1.00 -0.63 1 14 PHE -1.08 -0.58 1 15 PHE 0.16 -1.03 1 18 ASN -6.01 -3.76 1 20 TYR -3.50 -1.24 1 21 PHE -2.83 -2.83 1 22 MET -0.63 -1.76 1 24 ASN -1.49 -0.53 1 25 SER -2.87 -3.59 1 26 GLN -4.04 -0.01 1 27 ARG -6.76 0.73 1 28 ASN -1.88 1.70 1 29 TRP 4.87 1.45 1 30 HIS 4.31 4.96 1 31 ASP 3.60 2.91 1 32 SER 7.08 0.09 1 33 VAL 6.16 4.48 1 34 THR 5.40 1.31 1 35 ALA 4.16 4.17 1 37 GLN 5.32 4.59 1 38 GLU 4.34 1.64 1 39 VAL 0.34 -2.14 1 40 ARG 5.43 -1.98 1 41 ALA -8.01 -2.96 1 42 GLN -6.02 -0.33 1 43 LEU 2.13 2.00 1 44 VAL 2.39 -3.11 1 45 VAL -1.88 -1.72 1 46 ILE 1.25 -0.92 1 47 LYS -3.02 1.09 1 48 THR -6.31 -0.21 1 49 ALA 3.23 2.24 1 50 GLU 4.89 2.73 1 51 GLU 2.60 0.89 1 52 GLN 6.35 0.98 1 53 ASN 4.00 2.07 1 54 PHE 3.34 1.37 1 55 LEU 2.26 1.50 1 56 GLN 3.83 3.14 1 57 LEU 3.67 1.60 1 58 GLN 4.23 3.48 1 59 THR 4.80 2.20 1 60 SER 3.96 3.55 1 61 ARG 3.48 1.26 1 62 SER -0.14 -0.66 1 63 ASN 2.50 -1.42 1 64 ARG -2.38 -0.30 1 65 PHE 0.17 0.56 1 66 SER -5.36 -0.79 1 67 TRP -4.92 -0.76 1 68 MET -7.11 0.35 1 70 LEU -4.16 -3.84 1 71 SER -3.55 -1.18 1 72 ASP 1.09 -0.25 1 73 LEU 0.20 1.18 1 74 ASN 3.46 0.30 1 75 GLN -1.65 -3.61 1 76 GLU 1.83 1.66 1 78 THR 0.36 -2.26 1 79 TRP 0.43 -0.03 1 80 GLN -5.57 0.00 1 82 VAL 2.97 0.06 1 83 ASP -0.08 0.69 1 85 SER 0.78 -1.20 1 87 LEU -1.06 -0.85 1 88 SER -1.51 0.28 1 90 SER 3.33 2.62 1 91 PHE 0.19 -0.33 1 92 GLN 2.91 1.23 1 93 ARG 2.10 -0.46 1 94 TYR 4.36 0.08 1 95 TRP -0.73 1.60 1 96 ASN -0.18 0.34 1 97 SER 2.98 1.03 1 99 GLU -3.76 -2.66 1 103 SER 2.76 0.03 1 105 ASN 4.40 -1.67 1 106 GLU -2.34 0.62 1 107 ASP -3.18 -2.23 1 109 ALA -2.79 -2.98 1 110 GLU -7.85 -1.01 1 111 PHE -0.03 -0.06 1 112 SER -2.74 0.10 1 114 SER -0.09 -0.76 1 116 TRP -7.44 0.96 1 117 ASN -4.63 0.30 1 118 ASP -4.55 -2.63 1 119 ASN -6.81 -0.53 1 120 ARG 0.61 2.27 1 122 ASP -6.41 -0.03 1 123 VAL 0.60 -2.30 1 124 ASP -0.20 -1.88 1 125 ASN -5.45 1.81 1 126 TYR 4.82 -0.94 1 133 ALA 0.42 -1.17 1 134 ALA -3.30 -0.68 1 137 ARG 0.03 -0.75 1 138 ASP 0.21 -1.23 1 139 GLU -0.30 4.34 1 stop_ save_