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 bmr25087_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -3.84 _LACS_plot.Line_1_terminator_val_y_1 -1.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.65 _LACS_plot.Line_2_terminator_val_x_2 7.73 _LACS_plot.Line_2_terminator_val_y_2 6.14 _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 35 PHE 3.80 0.06 0 81 SER 7.25 2.89 0 50 THR 1.33 -1.67 0 85 LEU 4.44 0.34 0 10 ARG 4.36 2.98 1 11 TYR 4.09 3.50 1 12 VAL 6.70 5.33 1 13 GLU 3.55 2.70 1 14 GLN 3.45 2.75 1 15 LEU 4.58 2.93 1 16 LYS 5.48 4.92 1 17 GLN 4.43 3.02 1 18 ALA 4.07 2.76 1 19 LEU 4.68 3.08 1 20 LYS 4.03 3.12 1 21 THR 3.82 3.33 1 22 ARG -0.54 -1.67 1 24 VAL -0.27 -0.36 1 25 LYS 0.09 -0.47 1 26 VAL -3.75 -2.19 1 27 LYS 1.07 -0.40 1 28 PHE 6.46 5.91 1 29 ALA 3.28 2.76 1 30 ASP 3.26 2.53 1 31 LEU 3.79 2.10 1 32 LEU 4.38 3.06 1 33 LYS 4.17 3.09 1 34 PHE 5.03 2.95 1 36 ASP 5.50 4.44 1 37 PHE 4.87 3.90 1 38 VAL 7.28 5.33 1 39 LYS 4.70 3.66 1 40 ASP 2.43 2.70 1 41 THR 3.35 3.22 1 44 TRP -0.19 -1.70 1 45 PHE 3.57 2.77 1 47 GLN 2.26 1.79 1 48 GLU -1.10 0.17 1 51 ILE -3.84 -2.10 1 52 ASP 1.76 1.11 1 53 ILE 5.11 4.03 1 54 LYS 4.64 4.04 1 55 ARG 1.20 2.01 1 56 TRP 5.39 4.47 1 57 ARG 4.81 3.99 1 58 ARG 5.76 4.06 1 59 VAL 4.09 3.03 1 61 ASP 2.87 0.20 1 63 PHE 4.65 3.81 1 64 GLN 3.46 3.53 1 65 ASP 3.08 2.41 1 66 TYR 3.81 4.30 1 67 PHE 3.24 2.56 1 68 ASN 3.81 3.70 1 69 THR -0.70 1.03 1 70 PHE 2.58 1.97 1 73 GLU -1.94 -0.62 1 74 LYS -2.48 -1.11 1 75 VAL 4.71 3.44 1 77 VAL 2.68 1.32 1 78 THR 4.21 2.73 1 79 ALA 5.66 4.24 1 80 PHE 4.89 3.19 1 82 TYR 7.53 6.62 1 83 TRP 3.40 4.00 1 84 ASN 3.76 3.45 1 86 ILE 5.90 4.18 1 87 LYS 2.96 2.38 1 88 GLU 3.38 2.90 1 89 LEU 5.41 4.46 1 90 ILE 2.13 2.41 1 91 ASP -0.70 -1.52 1 92 LYS 4.09 3.71 1 93 LYS 1.83 1.16 1 94 GLU -0.58 -0.61 1 95 VAL -2.64 -0.51 1 96 ASN 5.04 3.21 1 98 GLN 5.76 4.57 1 99 VAL 4.98 4.12 1 100 MET 3.70 2.46 1 101 ALA 4.18 2.79 1 102 ALA 7.74 6.13 1 103 VAL 4.07 2.96 1 104 ALA 3.30 3.12 1 105 GLN 6.65 5.77 1 106 THR 3.61 3.62 1 107 GLU 3.68 2.90 1 108 GLU 4.84 4.02 1 109 ILE 4.16 2.58 1 110 LEU 3.19 2.66 1 111 LYS 2.47 2.04 1 112 SER 0.82 0.90 1 113 ASN 0.88 0.82 1 114 SER 1.03 0.64 1 115 GLN 0.88 0.78 1 116 THR 0.47 0.34 1 117 ASP 1.00 0.83 1 118 LEU 0.30 0.37 1 119 GLU 0.08 0.78 1 120 HIS 1.17 2.20 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25087_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -3.84 _LACS_plot.Line_1_terminator_val_y_1 1.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.76 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.35 _LACS_plot.Line_2_terminator_val_x_2 7.73 _LACS_plot.Line_2_terminator_val_y_2 -1.59 _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 35 PHE 3.80 -3.74 0 81 SER 7.25 -4.36 0 50 THR 1.33 -3.00 0 85 LEU 4.44 -4.10 0 10 ARG 4.36 -1.38 1 11 TYR 4.09 -0.59 1 12 VAL 6.70 -1.37 1 13 GLU 3.55 -0.85 1 14 GLN 3.45 -0.70 1 15 LEU 4.58 -1.65 1 16 LYS 5.48 -0.56 1 17 GLN 4.43 -1.41 1 18 ALA 4.07 -1.31 1 19 LEU 4.68 -1.60 1 20 LYS 4.03 -0.91 1 21 THR 3.82 -0.49 1 22 ARG -0.54 -1.13 1 24 VAL -0.27 -0.09 1 25 LYS 0.09 -0.56 1 26 VAL -3.75 1.56 1 27 LYS 1.07 -1.47 1 28 PHE 6.46 -0.55 1 29 ALA 3.28 -0.52 1 30 ASP 3.26 -0.73 1 31 LEU 3.79 -1.69 1 32 LEU 4.38 -1.32 1 33 LYS 4.17 -1.08 1 34 PHE 5.03 -2.08 1 36 ASP 5.50 -1.06 1 37 PHE 4.87 -0.97 1 38 VAL 7.28 -1.95 1 39 LYS 4.70 -1.04 1 40 ASP 2.43 0.27 1 41 THR 3.35 -0.13 1 44 TRP -0.19 -1.51 1 45 PHE 3.57 -0.80 1 47 GLN 2.26 -0.47 1 48 GLU -1.10 1.27 1 51 ILE -3.84 1.74 1 52 ASP 1.76 -0.65 1 53 ILE 5.11 -1.08 1 54 LYS 4.64 -0.60 1 55 ARG 1.20 0.81 1 56 TRP 5.39 -0.92 1 57 ARG 4.81 -0.82 1 58 ARG 5.76 -1.70 1 59 VAL 4.09 -1.06 1 61 ASP 2.87 -2.67 1 63 PHE 4.65 -0.84 1 64 GLN 3.46 0.07 1 65 ASP 3.08 -0.67 1 66 TYR 3.81 0.49 1 67 PHE 3.24 -0.68 1 68 ASN 3.81 -0.11 1 69 THR -0.70 1.73 1 70 PHE 2.58 -0.61 1 73 GLU -1.94 1.32 1 74 LYS -2.48 1.37 1 75 VAL 4.71 -1.27 1 77 VAL 2.68 -1.36 1 78 THR 4.21 -1.48 1 79 ALA 5.66 -1.42 1 80 PHE 4.89 -1.70 1 82 TYR 7.53 -0.91 1 83 TRP 3.40 0.60 1 84 ASN 3.76 -0.31 1 86 ILE 5.90 -1.72 1 87 LYS 2.96 -0.58 1 88 GLU 3.38 -0.48 1 89 LEU 5.41 -0.95 1 90 ILE 2.13 0.28 1 91 ASP -0.70 -0.82 1 92 LYS 4.09 -0.38 1 93 LYS 1.83 -0.67 1 94 GLU -0.58 -0.03 1 95 VAL -2.64 2.13 1 96 ASN 5.04 -1.83 1 98 GLN 5.76 -1.19 1 99 VAL 4.98 -0.86 1 100 MET 3.70 -1.24 1 101 ALA 4.18 -1.39 1 102 ALA 7.74 -1.61 1 103 VAL 4.07 -1.11 1 104 ALA 3.30 -0.18 1 105 GLN 6.65 -0.88 1 106 THR 3.61 0.01 1 107 GLU 3.68 -0.78 1 108 GLU 4.84 -0.82 1 109 ILE 4.16 -1.58 1 110 LEU 3.19 -0.53 1 111 LYS 2.47 -0.43 1 112 SER 0.82 0.08 1 113 ASN 0.88 -0.06 1 114 SER 1.03 -0.39 1 115 GLN 0.88 -0.10 1 116 THR 0.47 -0.13 1 117 ASP 1.00 -0.17 1 118 LEU 0.30 0.07 1 119 GLU 0.08 0.70 1 120 HIS 1.17 1.03 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25087_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -3.84 _LACS_plot.Line_1_terminator_val_y_1 0.25 _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 0.16 _LACS_plot.Line_2_terminator_val_x_2 7.73 _LACS_plot.Line_2_terminator_val_y_2 -0.61 _LACS_plot.Y_axis_chem_shift_offset 0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 26 VAL -3.75 0.24 0 51 ILE -3.84 0.01 0 10 ARG 4.36 -0.14 1 11 TYR 4.09 -0.25 1 12 VAL 6.70 -0.87 1 13 GLU 3.55 -0.46 1 14 GLN 3.45 -0.36 1 15 LEU 4.58 -0.45 1 16 LYS 5.48 -0.54 1 17 GLN 4.43 -0.33 1 18 ALA 4.07 -0.44 1 19 LEU 4.68 -0.77 1 20 LYS 4.03 -0.13 1 21 THR 3.82 -0.18 1 22 ARG -0.54 0.08 1 24 VAL -0.27 -0.07 1 25 LYS 0.09 0.17 1 27 LYS 1.07 0.17 1 28 PHE 6.46 -0.83 1 29 ALA 3.28 -0.41 1 30 ASP 3.26 -0.23 1 31 LEU 3.79 -0.93 1 32 LEU 4.38 -0.51 1 33 LYS 4.17 -0.07 1 34 PHE 5.03 -0.10 1 35 PHE 3.80 -0.30 1 36 ASP 5.50 -0.03 1 37 PHE 4.87 -0.20 1 38 VAL 7.28 -0.99 1 39 LYS 4.70 -0.80 1 40 ASP 2.43 -0.37 1 41 THR 3.35 -0.47 1 44 TRP -0.19 -0.23 1 45 PHE 3.57 -0.36 1 47 GLN 2.26 -0.20 1 48 GLU -1.10 -0.03 1 50 THR 1.33 0.02 1 52 ASP 1.76 0.04 1 53 ILE 5.11 -0.15 1 54 LYS 4.64 0.06 1 55 ARG 1.20 0.13 1 56 TRP 5.39 0.13 1 57 ARG 4.81 -0.06 1 58 ARG 5.76 -0.41 1 59 VAL 4.09 -0.34 1 61 ASP 2.87 -0.17 1 63 PHE 4.65 -0.10 1 64 GLN 3.46 -0.07 1 65 ASP 3.08 0.12 1 66 TYR 3.81 -0.43 1 67 PHE 3.24 -0.31 1 68 ASN 3.81 -0.41 1 69 THR -0.70 0.07 1 70 PHE 2.58 -0.24 1 73 GLU -1.94 0.14 1 74 LYS -2.48 0.07 1 75 VAL 4.71 -0.17 1 77 VAL 2.68 -0.37 1 78 THR 4.21 -0.23 1 79 ALA 5.66 -0.16 1 80 PHE 4.89 -0.04 1 81 SER 7.25 -0.40 1 82 TYR 7.53 -0.17 1 83 TRP 3.40 -0.45 1 84 ASN 3.76 -0.23 1 85 LEU 4.44 -0.63 1 86 ILE 5.90 -1.05 1 87 LYS 2.96 -0.35 1 88 GLU 3.38 -0.36 1 89 LEU 5.41 -0.80 1 90 ILE 2.13 -0.15 1 91 ASP -0.70 0.25 1 92 LYS 4.09 -0.38 1 93 LYS 1.83 -0.04 1 94 GLU -0.58 0.29 1 95 VAL -2.64 0.30 1 96 ASN 5.04 -0.13 1 98 GLN 5.76 -0.63 1 99 VAL 4.98 -0.46 1 100 MET 3.70 -0.03 1 101 ALA 4.18 -0.25 1 102 ALA 7.74 -0.76 1 103 VAL 4.07 -0.08 1 104 ALA 3.30 -0.21 1 105 GLN 6.65 -0.95 1 106 THR 3.61 -0.64 1 107 GLU 3.68 -0.46 1 108 GLU 4.84 -0.71 1 109 ILE 4.16 -0.35 1 110 LEU 3.19 -0.20 1 111 LYS 2.47 -0.14 1 112 SER 0.82 -0.01 1 113 ASN 0.88 -0.02 1 114 SER 1.03 0.06 1 115 GLN 0.88 -0.06 1 116 THR 0.47 -0.01 1 117 ASP 1.00 -0.14 1 118 LEU 0.30 -0.22 1 119 GLU 0.08 -0.09 1 120 HIS 1.17 -0.28 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25087_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -3.84 _LACS_plot.Line_1_terminator_val_y_1 -1.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.28 _LACS_plot.Line_2_terminator_val_x_2 7.73 _LACS_plot.Line_2_terminator_val_y_2 3.02 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 120 HIS 1.17 4.96 0 74 LYS -2.48 -3.51 0 50 THR 1.33 -3.61 0 10 ARG 4.36 2.76 1 11 TYR 4.09 0.88 1 12 VAL 6.70 1.30 1 13 GLU 3.55 2.25 1 14 GLN 3.45 3.06 1 15 LEU 4.58 1.00 1 16 LYS 5.48 3.56 1 17 GLN 4.43 2.67 1 18 ALA 4.07 1.76 1 19 LEU 4.68 1.77 1 20 LYS 4.03 3.76 1 21 THR 3.82 1.04 1 22 ARG -0.54 0.20 1 24 VAL -0.27 -0.68 1 25 LYS 0.09 -1.05 1 26 VAL -3.75 -1.70 1 27 LYS 1.07 0.93 1 28 PHE 6.46 1.05 1 29 ALA 3.28 2.71 1 30 ASP 3.26 2.38 1 31 LEU 3.79 0.12 1 32 LEU 4.38 1.41 1 33 LYS 4.17 3.46 1 34 PHE 5.03 1.46 1 35 PHE 3.80 2.90 1 36 ASP 5.50 0.95 1 37 PHE 4.87 3.20 1 38 VAL 7.28 0.05 1 39 LYS 4.70 -0.05 1 40 ASP 2.43 1.70 1 41 THR 3.35 0.42 1 44 TRP -0.19 1.02 1 45 PHE 3.57 1.48 1 47 GLN 2.26 2.78 1 48 GLU -1.10 -1.48 1 51 ILE -3.84 -0.32 1 52 ASP 1.76 0.76 1 53 ILE 5.11 4.10 1 54 LYS 4.64 3.02 1 55 ARG 1.20 4.08 1 56 TRP 5.39 1.98 1 57 ARG 4.81 3.36 1 58 ARG 5.76 0.45 1 59 VAL 4.09 2.43 1 61 ASP 2.87 2.52 1 63 PHE 4.65 1.84 1 64 GLN 3.46 3.19 1 65 ASP 3.08 2.86 1 66 TYR 3.81 2.50 1 67 PHE 3.24 1.60 1 68 ASN 3.81 0.31 1 69 THR -0.70 0.89 1 70 PHE 2.58 0.76 1 73 GLU -1.94 -0.74 1 75 VAL 4.71 2.23 1 77 VAL 2.68 1.29 1 78 THR 4.21 1.97 1 79 ALA 5.66 2.93 1 80 PHE 4.89 3.91 1 81 SER 7.25 1.98 1 82 TYR 7.53 3.53 1 83 TRP 3.40 1.08 1 84 ASN 3.76 1.03 1 85 LEU 4.44 0.70 1 86 ILE 5.90 0.79 1 87 LYS 2.96 2.43 1 88 GLU 3.38 0.67 1 89 LEU 5.41 2.43 1 90 ILE 2.13 1.42 1 91 ASP -0.70 1.22 1 92 LYS 4.09 -0.99 1 93 LYS 1.83 0.98 1 94 GLU -0.58 -1.14 1 95 VAL -2.64 -0.46 1 96 ASN 5.04 3.49 1 98 GLN 5.76 1.23 1 99 VAL 4.98 2.17 1 100 MET 3.70 2.00 1 101 ALA 4.18 3.45 1 102 ALA 7.74 0.72 1 103 VAL 4.07 3.60 1 104 ALA 3.30 2.18 1 105 GLN 6.65 0.91 1 106 THR 3.61 1.46 1 107 GLU 3.68 3.04 1 108 GLU 4.84 2.55 1 109 ILE 4.16 2.29 1 110 LEU 3.19 1.87 1 111 LYS 2.47 0.78 1 112 SER 0.82 0.58 1 113 ASN 0.88 0.37 1 114 SER 1.03 0.49 1 115 GLN 0.88 -0.21 1 116 THR 0.47 0.20 1 117 ASP 1.00 0.32 1 118 LEU 0.30 -0.05 1 119 GLU 0.08 -0.26 1 stop_ save_