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 bmr15581_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.56 _LACS_plot.Line_1_terminator_val_y_1 -1.65 _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 -1.38 _LACS_plot.Line_2_terminator_val_x_2 7.14 _LACS_plot.Line_2_terminator_val_y_2 5.44 _LACS_plot.Y_axis_chem_shift_offset 0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 116 TYR -0.24 -3.54 0 16 HIS -3.72 1.45 0 11 GLN -0.30 -0.60 1 12 ALA -2.81 -1.41 1 13 TRP -3.84 -1.53 1 14 ARG -4.74 -2.89 1 15 HIS -3.92 0.29 1 17 ASN -5.56 -1.28 1 19 PHE 1.04 1.64 1 20 ASP -0.87 -0.06 1 21 PHE 4.31 3.39 1 22 ALA 3.49 2.71 1 23 VAL 4.16 3.04 1 24 ILE 4.81 2.30 1 25 LYS 4.26 3.42 1 26 GLU 3.38 2.93 1 27 LEU 3.98 2.95 1 28 LYS 3.58 3.90 1 29 THR 6.06 5.05 1 30 ALA 3.36 3.21 1 31 ALA 4.93 2.95 1 32 SER 3.29 2.90 1 33 GLN 2.84 2.58 1 34 TYR -0.95 -0.19 1 36 ALA 3.53 3.61 1 37 THR -0.45 -1.98 1 38 ALA -0.96 -1.74 1 40 TYR 2.62 3.11 1 41 THR 5.33 3.76 1 42 LEU 3.38 2.32 1 43 ALA 4.01 2.42 1 44 ILE 5.01 3.68 1 45 VAL 6.93 4.88 1 46 GLU 3.80 2.89 1 47 SER 3.53 2.75 1 48 VAL 3.89 2.83 1 49 ALA -0.28 0.75 1 50 ASP 1.25 -0.52 1 51 ASN -3.82 -0.79 1 52 TRP 0.33 -2.47 1 53 LEU -0.89 -1.48 1 54 THR 3.35 0.73 1 56 THR 6.81 5.14 1 57 ASP 4.73 3.76 1 58 TRP 5.71 5.23 1 59 ASN 3.76 5.03 1 60 THR 5.33 4.78 1 61 LEU 3.89 3.25 1 62 VAL 7.13 5.14 1 63 ARG 3.00 2.05 1 64 ALA 1.46 1.51 1 65 VAL -0.08 0.48 1 66 LEU -3.95 -2.28 1 67 SER -1.30 -0.36 1 70 ASP 3.57 3.06 1 71 HIS 3.36 5.04 1 72 LEU 4.11 3.09 1 73 LEU 3.69 2.93 1 74 TRP 7.08 5.55 1 75 LYS 4.40 3.83 1 76 SER 4.92 3.80 1 77 GLU 2.36 1.67 1 78 PHE 4.23 2.93 1 79 PHE 5.42 3.00 1 80 GLU 4.31 3.13 1 81 ASN 3.78 2.40 1 83 ARG 5.79 4.44 1 84 ASP 3.37 3.57 1 85 THR 6.30 5.03 1 86 ALA 4.49 3.27 1 87 LYS 4.56 3.51 1 88 ARG 4.78 3.56 1 89 ASN 3.27 2.23 1 90 GLN 4.97 3.62 1 91 GLN 3.37 2.33 1 92 ALA -0.05 0.17 1 94 ASN 0.12 -0.45 1 96 TRP 0.05 -2.41 1 97 ASP -3.65 -2.05 1 98 PHE 4.45 4.77 1 99 ASP 5.99 3.46 1 100 MET 2.68 3.20 1 101 LEU 3.41 3.64 1 102 THR -2.30 -0.68 1 104 SER -2.79 -1.54 1 106 ASN 3.01 1.39 1 107 TYR 1.57 -0.17 1 108 SER 1.51 1.56 1 109 SER -2.23 -1.16 1 110 THR 6.35 4.64 1 111 ASP 4.17 3.36 1 112 ALA 2.14 2.03 1 113 GLN 2.33 2.04 1 114 MET 1.38 2.05 1 115 GLN 0.15 -1.02 1 117 ASP -1.30 0.22 1 120 LEU 4.64 1.50 1 121 PHE 7.14 5.14 1 122 ALA 4.32 3.03 1 123 GLN 4.51 4.25 1 124 ILE 4.96 5.33 1 125 GLN 4.47 3.95 1 126 ALA 3.55 2.54 1 127 ALA 2.33 2.58 1 128 ALA 5.49 3.00 1 129 THR 5.32 4.09 1 130 LYS 4.43 4.10 1 131 ALA 2.96 2.53 1 132 TRP 4.74 2.93 1 133 ARG 3.80 3.35 1 134 LYS -0.81 -1.28 1 135 LEU 2.60 1.31 1 137 VAL -0.10 -0.24 1 138 LYS 0.49 0.59 1 140 ASP 0.41 1.53 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15581_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.56 _LACS_plot.Line_1_terminator_val_y_1 3.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.14 _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 7.14 _LACS_plot.Line_2_terminator_val_y_2 -1.70 _LACS_plot.Y_axis_chem_shift_offset 0.21 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 116 TYR -0.24 -3.30 0 16 HIS -3.72 5.17 0 11 GLN -0.30 -0.30 1 12 ALA -2.81 1.40 1 13 TRP -3.84 2.31 1 14 ARG -4.74 1.85 1 15 HIS -3.92 4.21 1 17 ASN -5.56 4.28 1 19 PHE 1.04 0.60 1 20 ASP -0.87 0.81 1 21 PHE 4.31 -0.92 1 22 ALA 3.49 -0.78 1 23 VAL 4.16 -1.12 1 24 ILE 4.81 -2.51 1 25 LYS 4.26 -0.84 1 26 GLU 3.38 -0.45 1 27 LEU 3.98 -1.03 1 28 LYS 3.58 0.32 1 29 THR 6.06 -1.01 1 30 ALA 3.36 -0.15 1 31 ALA 4.93 -1.98 1 32 SER 3.29 -0.39 1 33 GLN 2.84 -0.26 1 34 TYR -0.95 0.76 1 36 ALA 3.53 0.08 1 37 THR -0.45 -1.53 1 38 ALA -0.96 -0.78 1 40 TYR 2.62 0.49 1 41 THR 5.33 -1.57 1 42 LEU 3.38 -1.06 1 43 ALA 4.01 -1.59 1 44 ILE 5.01 -1.33 1 45 VAL 6.93 -2.05 1 46 GLU 3.80 -0.91 1 47 SER 3.53 -0.78 1 48 VAL 3.89 -1.06 1 49 ALA -0.28 1.03 1 50 ASP 1.25 -1.77 1 51 ASN -3.82 3.03 1 52 TRP 0.33 -2.80 1 53 LEU -0.89 -0.59 1 54 THR 3.35 -2.62 1 56 THR 6.81 -1.67 1 57 ASP 4.73 -0.97 1 58 TRP 5.71 -0.48 1 59 ASN 3.76 1.27 1 60 THR 5.33 -0.55 1 61 LEU 3.89 -0.64 1 62 VAL 7.13 -1.99 1 63 ARG 3.00 -0.95 1 64 ALA 1.46 0.05 1 65 VAL -0.08 0.56 1 66 LEU -3.95 1.67 1 67 SER -1.30 0.94 1 70 ASP 3.57 -0.51 1 71 HIS 3.36 1.68 1 72 LEU 4.11 -1.02 1 73 LEU 3.69 -0.76 1 74 TRP 7.08 -1.53 1 75 LYS 4.40 -0.57 1 76 SER 4.92 -1.12 1 77 GLU 2.36 -0.69 1 78 PHE 4.23 -1.30 1 79 PHE 5.42 -2.42 1 80 GLU 4.31 -1.18 1 81 ASN 3.78 -1.38 1 83 ARG 5.79 -1.35 1 84 ASP 3.37 0.20 1 85 THR 6.30 -1.27 1 86 ALA 4.49 -1.22 1 87 LYS 4.56 -1.05 1 88 ARG 4.78 -1.22 1 89 ASN 3.27 -1.04 1 90 GLN 4.97 -1.35 1 91 GLN 3.37 -1.04 1 92 ALA -0.05 0.22 1 94 ASN 0.12 -0.57 1 96 TRP 0.05 -2.46 1 97 ASP -3.65 1.60 1 98 PHE 4.45 0.32 1 99 ASP 5.99 -2.53 1 100 MET 2.68 0.52 1 101 LEU 3.41 0.23 1 102 THR -2.30 1.62 1 104 SER -2.79 1.25 1 106 ASN 3.01 -1.62 1 107 TYR 1.57 -1.74 1 108 SER 1.51 0.05 1 109 SER -2.23 1.07 1 110 THR 6.35 -1.71 1 111 ASP 4.17 -0.81 1 112 ALA 2.14 -0.11 1 113 GLN 2.33 -0.29 1 114 MET 1.38 0.67 1 115 GLN 0.15 -1.17 1 117 ASP -1.30 1.52 1 120 LEU 4.64 -3.14 1 121 PHE 7.14 -2.00 1 122 ALA 4.32 -1.29 1 123 GLN 4.51 -0.26 1 124 ILE 4.96 0.37 1 125 GLN 4.47 -0.52 1 126 ALA 3.55 -1.01 1 127 ALA 2.33 0.25 1 128 ALA 5.49 -2.49 1 129 THR 5.32 -1.23 1 130 LYS 4.43 -0.33 1 131 ALA 2.96 -0.43 1 132 TRP 4.74 -1.81 1 133 ARG 3.80 -0.45 1 134 LYS -0.81 -0.47 1 135 LEU 2.60 -1.29 1 137 VAL -0.10 -0.14 1 138 LYS 0.49 0.10 1 140 ASP 0.41 1.12 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15581_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.56 _LACS_plot.Line_1_terminator_val_y_1 0.36 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.09 _LACS_plot.Line_2_terminator_val_x_2 7.14 _LACS_plot.Line_2_terminator_val_y_2 -0.68 _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 17 ASN -5.56 -0.03 0 14 ARG -4.74 0.99 0 11 GLN -0.30 -0.14 1 12 ALA -2.81 0.84 1 13 TRP -3.84 0.06 1 15 HIS -3.92 0.06 1 16 HIS -3.72 0.43 1 19 PHE 1.04 -0.55 1 20 ASP -0.87 -0.15 1 21 PHE 4.31 -0.53 1 22 ALA 3.49 -0.44 1 23 VAL 4.16 -0.44 1 24 ILE 4.81 -0.97 1 25 LYS 4.26 -0.51 1 26 GLU 3.38 -0.33 1 27 LEU 3.98 -0.18 1 28 LYS 3.58 -0.12 1 29 THR 6.06 -0.46 1 30 ALA 3.36 -0.08 1 31 ALA 4.93 -0.43 1 32 SER 3.29 -0.23 1 33 GLN 2.84 -0.35 1 34 TYR -0.95 0.24 1 36 ALA 3.53 -0.10 1 37 THR -0.45 0.22 1 38 ALA -0.96 0.28 1 40 TYR 2.62 -0.52 1 41 THR 5.33 -0.73 1 42 LEU 3.38 -0.63 1 43 ALA 4.01 -0.30 1 44 ILE 5.01 -0.57 1 45 VAL 6.93 -1.20 1 46 GLU 3.80 -0.50 1 47 SER 3.53 -0.18 1 48 VAL 3.89 -0.56 1 49 ALA -0.28 -0.20 1 50 ASP 1.25 0.15 1 51 ASN -3.82 -0.11 1 53 LEU -0.89 0.52 1 54 THR 3.35 -0.01 1 56 THR 6.81 -0.12 1 57 ASP 4.73 -0.22 1 58 TRP 5.71 -0.63 1 59 ASN 3.76 -0.32 1 60 THR 5.33 -0.63 1 61 LEU 3.89 -0.95 1 62 VAL 7.13 -0.91 1 63 ARG 3.00 -0.74 1 64 ALA 1.46 -0.16 1 65 VAL -0.08 0.13 1 66 LEU -3.95 0.45 1 67 SER -1.30 -0.06 1 70 ASP 3.57 -0.13 1 71 HIS 3.36 -0.49 1 72 LEU 4.11 -0.57 1 73 LEU 3.69 -0.23 1 74 TRP 7.08 -1.07 1 75 LYS 4.40 -1.26 1 76 SER 4.92 -0.43 1 77 GLU 2.36 -0.31 1 78 PHE 4.23 -0.84 1 79 PHE 5.42 -0.82 1 80 GLU 4.31 -0.27 1 81 ASN 3.78 -0.22 1 83 ARG 5.79 -0.41 1 84 ASP 3.37 -0.29 1 85 THR 6.30 -0.62 1 86 ALA 4.49 -0.33 1 87 LYS 4.56 -0.22 1 88 ARG 4.78 -0.29 1 89 ASN 3.27 -0.39 1 90 GLN 4.97 -0.32 1 91 GLN 3.37 -0.29 1 92 ALA -0.05 -0.07 1 94 ASN 0.12 -0.62 1 96 TRP 0.05 0.58 1 97 ASP -3.65 0.19 1 98 PHE 4.45 -0.89 1 99 ASP 5.99 -0.68 1 100 MET 2.68 -0.84 1 101 LEU 3.41 -0.82 1 102 THR -2.30 -0.22 1 104 SER -2.79 0.29 1 106 ASN 3.01 -0.29 1 107 TYR 1.57 -0.22 1 108 SER 1.51 -0.25 1 109 SER -2.23 0.09 1 110 THR 6.35 -0.81 1 111 ASP 4.17 -0.40 1 112 ALA 2.14 -0.13 1 113 GLN 2.33 -0.78 1 114 MET 1.38 -0.25 1 115 GLN 0.15 -0.03 1 116 TYR -0.24 -0.36 1 117 ASP -1.30 -0.26 1 120 LEU 4.64 -0.97 1 121 PHE 7.14 -0.16 1 122 ALA 4.32 0.20 1 123 GLN 4.51 -0.19 1 124 ILE 4.96 -0.54 1 125 GLN 4.47 -0.08 1 126 ALA 3.55 -0.18 1 127 ALA 2.33 -0.16 1 128 ALA 5.49 -0.39 1 129 THR 5.32 -0.34 1 130 LYS 4.43 -0.32 1 131 ALA 2.96 -0.32 1 132 TRP 4.74 -0.66 1 133 ARG 3.80 -0.31 1 134 LYS -0.81 -0.01 1 135 LEU 2.60 -0.51 1 137 VAL -0.10 -0.04 1 138 LYS 0.49 0.00 1 140 ASP 0.41 -0.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15581_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.56 _LACS_plot.Line_1_terminator_val_y_1 -1.67 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.07 _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 7.14 _LACS_plot.Line_2_terminator_val_y_2 2.61 _LACS_plot.Y_axis_chem_shift_offset -0.35 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 101 LEU 3.41 -3.73 0 11 GLN -0.30 -2.01 1 12 ALA -2.81 -0.52 1 13 TRP -3.84 -0.99 1 14 ARG -4.74 -1.11 1 15 HIS -3.92 -0.33 1 16 HIS -3.72 -0.49 1 17 ASN -5.56 -1.52 1 19 PHE 1.04 0.77 1 20 ASP -0.87 1.08 1 21 PHE 4.31 1.15 1 22 ALA 3.49 2.91 1 23 VAL 4.16 0.80 1 24 ILE 4.81 0.89 1 25 LYS 4.26 2.85 1 26 GLU 3.38 2.59 1 27 LEU 3.98 -0.34 1 28 LYS 3.58 3.11 1 29 THR 6.06 1.01 1 30 ALA 3.36 1.33 1 31 ALA 4.93 2.55 1 32 SER 3.29 1.01 1 33 GLN 2.84 1.49 1 34 TYR -0.95 0.60 1 36 ALA 3.53 0.24 1 37 THR -0.45 -1.01 1 40 TYR 2.62 0.56 1 41 THR 5.33 2.23 1 42 LEU 3.38 0.61 1 43 ALA 4.01 3.03 1 44 ILE 5.01 2.19 1 45 VAL 6.93 0.72 1 46 GLU 3.80 2.06 1 48 VAL 3.89 0.96 1 49 ALA -0.28 -0.49 1 50 ASP 1.25 -0.82 1 51 ASN -3.82 -1.12 1 52 TRP 0.33 -2.83 1 53 LEU -0.89 -0.20 1 56 THR 6.81 1.97 1 57 ASP 4.73 2.05 1 58 TRP 5.71 1.33 1 59 ASN 3.76 1.75 1 60 THR 5.33 1.34 1 61 LEU 3.89 -0.17 1 62 VAL 7.13 1.29 1 63 ARG 3.00 1.52 1 64 ALA 1.46 2.09 1 65 VAL -0.08 -2.12 1 66 LEU -3.95 -0.06 1 70 ASP 3.57 1.80 1 71 HIS 3.36 2.67 1 72 LEU 4.11 2.68 1 73 LEU 3.69 1.84 1 74 TRP 7.08 0.72 1 75 LYS 4.40 1.37 1 76 SER 4.92 3.22 1 77 GLU 2.36 1.21 1 78 PHE 4.23 2.31 1 79 PHE 5.42 2.55 1 80 GLU 4.31 2.47 1 81 ASN 3.78 4.06 1 83 ARG 5.79 2.84 1 84 ASP 3.37 2.35 1 85 THR 6.30 0.50 1 86 ALA 4.49 2.18 1 87 LYS 4.56 2.99 1 88 ARG 4.78 3.75 1 89 ASN 3.27 3.18 1 90 GLN 4.97 3.07 1 91 GLN 3.37 1.08 1 92 ALA -0.05 0.65 1 94 ASN 0.12 0.21 1 96 TRP 0.05 -0.44 1 97 ASP -3.65 -1.28 1 98 PHE 4.45 1.64 1 99 ASP 5.99 1.83 1 100 MET 2.68 3.71 1 102 THR -2.30 1.81 1 104 SER -2.79 -0.01 1 106 ASN 3.01 -0.02 1 107 TYR 1.57 -1.95 1 108 SER 1.51 0.23 1 110 THR 6.35 0.78 1 111 ASP 4.17 1.22 1 112 ALA 2.14 2.85 1 113 GLN 2.33 0.76 1 114 MET 1.38 -0.65 1 115 GLN 0.15 0.27 1 116 TYR -0.24 -0.63 1 120 LEU 4.64 1.66 1 121 PHE 7.14 3.92 1 122 ALA 4.32 2.64 1 123 GLN 4.51 4.56 1 124 ILE 4.96 0.08 1 125 GLN 4.47 2.95 1 126 ALA 3.55 1.52 1 127 ALA 2.33 2.91 1 128 ALA 5.49 3.23 1 129 THR 5.32 2.63 1 130 LYS 4.43 2.48 1 131 ALA 2.96 0.68 1 132 TRP 4.74 1.23 1 133 ARG 3.80 0.36 1 134 LYS -0.81 -0.32 1 137 VAL -0.10 0.01 1 138 LYS 0.49 0.19 1 stop_ save_