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 bmr26773_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -3.36 _LACS_plot.Line_1_terminator_val_y_1 -2.29 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.52 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.38 _LACS_plot.Line_2_terminator_val_x_2 9.73 _LACS_plot.Line_2_terminator_val_y_2 7.72 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 55 HIS 2.93 5.88 0 10 LYS 2.41 1.91 1 11 GLU 1.56 1.65 1 12 ALA 1.97 1.59 1 13 TYR 2.52 1.96 1 14 ALA 2.30 1.97 1 15 LEU 3.14 2.74 1 16 PHE 4.29 3.31 1 17 GLN 3.45 2.75 1 18 PHE 3.98 3.19 1 19 PHE 5.34 3.68 1 20 GLN 3.76 3.19 1 21 ASP 4.95 3.57 1 22 LEU 4.57 3.41 1 23 ASP 3.86 3.50 1 24 ASP 4.29 3.60 1 25 GLU 2.30 1.90 1 26 GLU 3.37 3.94 1 27 SER 4.66 3.77 1 28 TRP 5.70 5.15 1 29 ILE 5.04 4.81 1 30 GLU 3.62 3.16 1 31 GLU 3.59 2.91 1 32 LYS 2.12 1.04 1 33 LEU 3.13 2.78 1 34 ILE 4.53 3.69 1 35 ARG 3.72 2.90 1 36 VAL 2.43 1.06 1 37 SER 1.47 1.04 1 38 SER 0.09 0.09 1 39 GLN 0.01 -1.03 1 40 ASP -0.42 -0.69 1 41 TYR -0.79 -1.05 1 43 ARG -1.19 0.02 1 44 ASP -3.36 -1.99 1 45 LEU 4.23 3.87 1 46 GLN 4.68 3.44 1 48 VAL 5.59 4.24 1 49 GLN 5.41 4.31 1 50 ASN 3.79 3.51 1 51 LEU 2.82 2.88 1 52 LEU 3.74 3.50 1 53 LYS 4.90 4.12 1 54 LYS 3.86 3.57 1 56 LYS 4.22 2.78 1 57 ARG 4.62 3.34 1 58 LEU 5.70 3.74 1 59 GLU 4.31 4.09 1 61 GLU 2.81 3.27 1 62 LEU 5.64 4.56 1 63 VAL 4.78 4.04 1 64 ALA 2.22 1.78 1 65 HIS 0.32 1.32 1 66 GLU 9.73 7.87 1 68 ALA 3.58 2.13 1 69 ILE 4.98 2.30 1 70 GLN 3.85 2.56 1 71 ASN 3.90 3.71 1 72 VAL 6.52 5.08 1 73 LEU 4.79 3.17 1 74 ASP 3.44 3.14 1 75 MET 2.77 2.11 1 76 ALA 2.56 2.59 1 77 GLU 2.63 2.19 1 78 LYS 2.94 2.45 1 79 LEU 0.32 0.19 1 80 LYS 3.87 3.13 1 81 ASP 0.95 0.75 1 82 LYS 0.18 -0.68 1 83 ALA 1.78 1.33 1 84 ALA 0.74 1.26 1 85 VAL 0.56 0.50 1 87 GLN 1.84 1.76 1 88 GLU 4.00 3.56 1 89 GLU 3.49 3.08 1 90 ILE 4.15 2.26 1 91 GLN 4.72 3.64 1 92 LEU 3.62 3.05 1 93 ARG 3.76 3.13 1 94 LEU 3.08 2.76 1 95 ALA 4.10 2.94 1 96 GLN 3.25 2.90 1 97 PHE 2.84 3.24 1 98 VAL 5.83 5.01 1 99 GLU 3.61 3.23 1 100 HIS 3.48 3.19 1 101 TRP 1.17 1.91 1 102 GLU 3.86 2.86 1 103 LYS 3.58 2.41 1 104 LEU 5.26 3.53 1 105 LYS 5.74 4.57 1 106 GLU 2.80 2.85 1 107 LEU 2.73 2.54 1 108 ALA 4.24 3.47 1 109 LYS 3.72 2.71 1 110 ALA 3.33 2.74 1 111 ARG 5.34 3.20 1 113 LEU 3.50 2.91 1 114 LYS 3.62 2.31 1 115 LEU 2.65 3.17 1 116 GLU 4.27 3.67 1 117 GLU 2.83 2.85 1 118 SER 3.17 2.90 1 119 LEU 4.32 3.54 1 120 GLU 3.26 2.88 1 121 TYR 3.06 2.74 1 122 LEU 1.67 1.80 1 123 GLN 2.74 2.29 1 124 PHE 0.98 0.68 1 125 MET 0.43 0.09 1 126 GLN 0.91 1.96 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26773_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -3.36 _LACS_plot.Line_1_terminator_val_y_1 1.07 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.48 _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 9.73 _LACS_plot.Line_2_terminator_val_y_2 -2.01 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 55 HIS 2.93 2.95 0 10 LYS 2.41 -0.50 1 11 GLU 1.56 0.09 1 12 ALA 1.97 -0.38 1 13 TYR 2.52 -0.56 1 14 ALA 2.30 -0.33 1 15 LEU 3.14 -0.40 1 16 PHE 4.29 -0.98 1 17 GLN 3.45 -0.70 1 18 PHE 3.98 -0.79 1 19 PHE 5.34 -1.66 1 20 GLN 3.76 -0.57 1 21 ASP 4.95 -1.38 1 22 LEU 4.57 -1.16 1 23 ASP 3.86 -0.36 1 24 ASP 4.29 -0.69 1 25 GLU 2.30 -0.40 1 26 GLU 3.37 0.57 1 27 SER 4.66 -0.89 1 28 TRP 5.70 -0.55 1 29 ILE 5.04 -0.23 1 30 GLU 3.62 -0.46 1 31 GLU 3.59 -0.68 1 32 LYS 2.12 -1.08 1 33 LEU 3.13 -0.35 1 34 ILE 4.53 -0.84 1 35 ARG 3.72 -0.82 1 36 VAL 2.43 -1.37 1 37 SER 1.47 -0.43 1 38 SER 0.09 0.00 1 39 GLN 0.01 -1.04 1 40 ASP -0.42 -0.27 1 41 TYR -0.79 -0.26 1 43 ARG -1.19 1.21 1 44 ASP -3.36 1.37 1 45 LEU 4.23 -0.36 1 46 GLN 4.68 -1.24 1 48 VAL 5.59 -1.35 1 49 GLN 5.41 -1.10 1 50 ASN 3.79 -0.28 1 51 LEU 2.82 0.06 1 52 LEU 3.74 -0.24 1 53 LYS 4.90 -0.78 1 54 LYS 3.86 -0.29 1 56 LYS 4.22 -1.44 1 57 ARG 4.62 -1.28 1 58 LEU 5.70 -1.96 1 59 GLU 4.31 -0.22 1 61 GLU 2.81 0.46 1 62 LEU 5.64 -1.08 1 63 VAL 4.78 -0.74 1 64 ALA 2.22 -0.44 1 65 HIS 0.32 1.00 1 66 GLU 9.73 -1.86 1 68 ALA 3.58 -1.45 1 69 ILE 4.98 -2.68 1 70 GLN 3.85 -1.29 1 71 ASN 3.90 -0.19 1 72 VAL 6.52 -1.44 1 73 LEU 4.79 -1.62 1 74 ASP 3.44 -0.30 1 75 MET 2.77 -0.66 1 76 ALA 2.56 0.03 1 77 GLU 2.63 -0.44 1 78 LYS 2.94 -0.49 1 79 LEU 0.32 -0.13 1 80 LYS 3.87 -0.74 1 81 ASP 0.95 -0.20 1 82 LYS 0.18 -0.86 1 83 ALA 1.78 -0.45 1 84 ALA 0.74 0.52 1 85 VAL 0.56 -0.06 1 87 GLN 1.84 -0.08 1 88 GLU 4.00 -0.44 1 89 GLU 3.49 -0.41 1 90 ILE 4.15 -1.89 1 91 GLN 4.72 -1.08 1 92 LEU 3.62 -0.57 1 93 ARG 3.76 -0.63 1 94 LEU 3.08 -0.32 1 95 ALA 4.10 -1.16 1 96 GLN 3.25 -0.35 1 97 PHE 2.84 0.40 1 98 VAL 5.83 -0.82 1 99 GLU 3.61 -0.38 1 100 HIS 3.48 -0.29 1 101 TRP 1.17 0.74 1 102 GLU 3.86 -1.00 1 103 LYS 3.58 -1.17 1 104 LEU 5.26 -1.73 1 105 LYS 5.74 -1.17 1 106 GLU 2.80 0.05 1 107 LEU 2.73 -0.19 1 108 ALA 4.24 -0.77 1 109 LYS 3.72 -1.01 1 110 ALA 3.33 -0.59 1 111 ARG 5.34 -2.14 1 113 LEU 3.50 -0.59 1 114 LYS 3.62 -1.31 1 115 LEU 2.65 0.52 1 116 GLU 4.27 -0.60 1 117 GLU 2.83 0.02 1 118 SER 3.17 -0.27 1 119 LEU 4.32 -0.78 1 120 GLU 3.26 -0.38 1 121 TYR 3.06 -0.32 1 122 LEU 1.67 0.13 1 123 GLN 2.74 -0.45 1 124 PHE 0.98 -0.30 1 125 MET 0.43 -0.34 1 126 GLN 0.91 1.05 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26773_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -3.36 _LACS_plot.Line_1_terminator_val_y_1 0.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 0.02 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 -0.39 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 98 VAL 5.83 0.45 0 11 GLU 1.56 -0.20 1 12 ALA 1.97 -0.12 1 13 TYR 2.52 -0.16 1 14 ALA 2.30 -0.14 1 15 LEU 3.14 -0.36 1 16 PHE 4.29 -0.27 1 17 GLN 3.45 -0.50 1 18 PHE 3.98 -0.33 1 19 PHE 5.34 -0.76 1 20 GLN 3.76 -0.35 1 21 ASP 4.95 -0.54 1 22 LEU 4.57 -0.27 1 23 ASP 3.86 -0.34 1 24 ASP 4.29 -0.16 1 25 GLU 2.30 0.43 1 26 GLU 3.37 0.02 1 27 SER 4.66 -0.27 1 28 TRP 5.70 -0.53 1 29 ILE 5.04 0.07 1 32 LYS 2.12 -0.57 1 33 LEU 3.13 -0.42 1 34 ILE 4.53 -0.53 1 35 ARG 3.72 -0.26 1 36 VAL 2.43 0.14 1 37 SER 1.47 -0.06 1 38 SER 0.09 -0.32 1 40 ASP -0.42 -0.16 1 41 TYR -0.79 0.09 1 43 ARG -1.19 0.19 1 44 ASP -3.36 -0.02 1 45 LEU 4.23 -0.39 1 46 GLN 4.68 -0.28 1 48 VAL 5.59 -0.26 1 49 GLN 5.41 -0.26 1 50 ASN 3.79 -0.20 1 51 LEU 2.82 -0.27 1 52 LEU 3.74 -0.12 1 53 LYS 4.90 -0.26 1 54 LYS 3.86 -0.28 1 55 HIS 2.93 -0.46 1 56 LYS 4.22 -0.22 1 57 ARG 4.62 -0.14 1 58 LEU 5.70 -0.12 1 59 GLU 4.31 -0.58 1 61 GLU 2.81 -0.01 1 62 LEU 5.64 -0.27 1 63 VAL 4.78 -0.15 1 64 ALA 2.22 -0.09 1 65 HIS 0.32 -0.51 1 68 ALA 3.58 -0.34 1 69 ILE 4.98 -0.69 1 70 GLN 3.85 -0.51 1 71 ASN 3.90 -0.27 1 72 VAL 6.52 -0.03 1 73 LEU 4.79 -0.31 1 75 MET 2.77 -0.38 1 77 GLU 2.63 -0.37 1 78 LYS 2.94 -0.26 1 79 LEU 0.32 -0.15 1 80 LYS 3.87 -0.46 1 81 ASP 0.95 -0.08 1 82 LYS 0.18 0.04 1 83 ALA 1.78 -0.12 1 84 ALA 0.74 -0.04 1 85 VAL 0.56 0.01 1 89 GLU 3.49 -0.27 1 90 ILE 4.15 -0.20 1 91 GLN 4.72 -0.29 1 92 LEU 3.62 -0.09 1 93 ARG 3.76 -0.17 1 94 LEU 3.08 -0.15 1 95 ALA 4.10 -0.09 1 96 GLN 3.25 -0.37 1 97 PHE 2.84 -0.07 1 99 GLU 3.61 -0.26 1 100 HIS 3.48 -0.27 1 101 TRP 1.17 0.13 1 102 GLU 3.86 -0.06 1 103 LYS 3.58 -0.23 1 104 LEU 5.26 -0.42 1 105 LYS 5.74 -0.74 1 106 GLU 2.80 -0.35 1 107 LEU 2.73 -0.18 1 108 ALA 4.24 -0.31 1 109 LYS 3.72 -0.13 1 110 ALA 3.33 -0.24 1 111 ARG 5.34 -0.13 1 113 LEU 3.50 -0.20 1 114 LYS 3.62 -0.34 1 115 LEU 2.65 -0.25 1 116 GLU 4.27 -0.32 1 117 GLU 2.83 -0.30 1 118 SER 3.17 -0.24 1 119 LEU 4.32 -0.38 1 120 GLU 3.26 -0.37 1 121 TYR 3.06 -0.20 1 122 LEU 1.67 -0.33 1 123 GLN 2.74 -0.28 1 124 PHE 0.98 0.03 1 125 MET 0.43 -0.08 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26773_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -3.36 _LACS_plot.Line_1_terminator_val_y_1 -1.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 -0.61 _LACS_plot.Line_2_terminator_val_x_2 9.73 _LACS_plot.Line_2_terminator_val_y_2 4.86 _LACS_plot.Y_axis_chem_shift_offset -0.29 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 66 GLU 9.73 -0.18 0 10 LYS 2.41 1.50 1 11 GLU 1.56 0.67 1 12 ALA 1.97 1.20 1 13 TYR 2.52 0.99 1 14 ALA 2.30 1.99 1 15 LEU 3.14 -0.03 1 16 PHE 4.29 2.41 1 17 GLN 3.45 1.12 1 18 PHE 3.98 0.32 1 19 PHE 5.34 2.31 1 20 GLN 3.76 1.62 1 21 ASP 4.95 1.77 1 22 LEU 4.57 2.07 1 23 ASP 3.86 3.48 1 24 ASP 4.29 3.90 1 25 GLU 2.30 2.94 1 26 GLU 3.37 3.23 1 27 SER 4.66 1.96 1 28 TRP 5.70 2.29 1 29 ILE 5.04 1.44 1 30 GLU 3.62 2.14 1 31 GLU 3.59 2.80 1 32 LYS 2.12 2.24 1 33 LEU 3.13 2.31 1 34 ILE 4.53 2.89 1 35 ARG 3.72 3.56 1 36 VAL 2.43 -0.82 1 37 SER 1.47 -0.93 1 38 SER 0.09 0.74 1 39 GLN 0.01 -2.22 1 40 ASP -0.42 -0.41 1 41 TYR -0.79 -0.87 1 43 ARG -1.19 -1.38 1 44 ASP -3.36 -1.45 1 45 LEU 4.23 0.36 1 46 GLN 4.68 2.97 1 48 VAL 5.59 1.41 1 49 GLN 5.41 3.62 1 50 ASN 3.79 2.96 1 51 LEU 2.82 3.50 1 52 LEU 3.74 0.90 1 53 LYS 4.90 3.74 1 54 LYS 3.86 2.99 1 55 HIS 2.93 3.05 1 56 LYS 4.22 3.96 1 57 ARG 4.62 2.71 1 58 LEU 5.70 1.40 1 59 GLU 4.31 3.45 1 61 GLU 2.81 2.97 1 62 LEU 5.64 2.23 1 63 VAL 4.78 3.26 1 64 ALA 2.22 1.27 1 65 HIS 0.32 1.29 1 68 ALA 3.58 2.66 1 69 ILE 4.98 1.80 1 70 GLN 3.85 2.07 1 71 ASN 3.90 2.33 1 72 VAL 6.52 1.34 1 73 LEU 4.79 2.66 1 74 ASP 3.44 3.22 1 75 MET 2.77 1.77 1 76 ALA 2.56 1.87 1 77 GLU 2.63 2.42 1 78 LYS 2.94 2.13 1 79 LEU 0.32 0.31 1 80 LYS 3.87 0.07 1 81 ASP 0.95 0.56 1 82 LYS 0.18 0.46 1 83 ALA 1.78 0.47 1 84 ALA 0.74 0.30 1 85 VAL 0.56 -0.37 1 87 GLN 1.84 1.43 1 88 GLU 4.00 1.73 1 89 GLU 3.49 2.58 1 90 ILE 4.15 1.06 1 91 GLN 4.72 3.45 1 92 LEU 3.62 1.88 1 93 ARG 3.76 3.88 1 94 LEU 3.08 0.91 1 95 ALA 4.10 3.31 1 96 GLN 3.25 0.94 1 97 PHE 2.84 0.94 1 98 VAL 5.83 1.81 1 99 GLU 3.61 3.41 1 100 HIS 3.48 2.39 1 101 TRP 1.17 0.83 1 102 GLU 3.86 3.34 1 103 LYS 3.58 1.28 1 104 LEU 5.26 0.29 1 105 LYS 5.74 3.29 1 106 GLU 2.80 3.14 1 107 LEU 2.73 2.80 1 108 ALA 4.24 1.64 1 109 LYS 3.72 2.88 1 110 ALA 3.33 2.34 1 111 ARG 5.34 1.58 1 113 LEU 3.50 2.39 1 114 LYS 3.62 3.83 1 115 LEU 2.65 0.91 1 116 GLU 4.27 2.98 1 117 GLU 2.83 2.44 1 118 SER 3.17 1.49 1 119 LEU 4.32 0.44 1 120 GLU 3.26 2.25 1 121 TYR 3.06 1.98 1 122 LEU 1.67 1.59 1 123 GLN 2.74 0.99 1 124 PHE 0.98 0.29 1 125 MET 0.43 -0.97 1 126 GLN 0.91 4.50 1 stop_ save_