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 bmr15280_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.06 _LACS_plot.Line_1_terminator_val_y_1 -2.71 _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 -1.02 _LACS_plot.Line_2_terminator_val_x_2 8.74 _LACS_plot.Line_2_terminator_val_y_2 6.51 _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 110 SER -4.18 2.66 0 10 LYS -5.60 -1.82 1 11 THR -2.22 -0.46 1 12 ALA 3.71 2.90 1 13 ASP 0.34 -1.12 1 14 ASN 3.64 2.23 1 15 ARG 0.54 0.67 1 17 ALA 2.34 2.90 1 18 SER 3.95 2.74 1 20 TYR -2.31 -0.49 1 21 LEU -1.88 -1.53 1 22 LYS -0.39 -0.49 1 23 LYS 1.29 1.49 1 24 ASP 2.75 1.43 1 25 LYS -3.05 0.16 1 27 THR -0.84 0.99 1 28 LEU -3.41 -1.00 1 29 ILE -3.38 -0.90 1 30 LYS -3.14 -1.79 1 31 PHE -0.88 0.29 1 32 TRP -4.43 -2.56 1 33 ALA -6.35 -1.67 1 34 SER 5.09 2.93 1 35 TRP -4.08 -3.62 1 38 LEU 2.76 2.81 1 40 LEU 4.29 2.81 1 41 SER 4.13 3.35 1 42 GLU -2.20 0.14 1 43 LEU 7.11 4.57 1 45 GLN 3.11 2.90 1 46 THR 6.85 5.18 1 47 GLU 3.34 3.69 1 48 LYS 5.10 4.08 1 49 TRP 2.04 1.10 1 50 ALA 3.32 2.44 1 51 GLN -3.21 -0.37 1 52 ASP -2.51 0.74 1 53 ALA 3.33 3.21 1 54 LYS 4.64 3.62 1 55 PHE 1.25 1.51 1 56 SER 3.51 3.65 1 57 SER 1.76 1.44 1 58 ALA -5.81 -1.82 1 59 ASN -1.40 -0.14 1 60 LEU -1.57 0.53 1 61 ILE -7.06 -2.04 1 62 THR -3.44 -2.60 1 63 VAL -4.23 -1.16 1 64 ALA -6.50 -3.04 1 65 SER -2.85 -1.00 1 68 PHE -3.28 -1.58 1 69 LEU 2.77 0.61 1 70 HIS 4.63 2.91 1 71 GLU -1.65 -0.30 1 72 LYS -0.17 1.94 1 73 LYS -0.47 0.42 1 74 ASP 2.90 3.56 1 76 ASP 3.97 3.41 1 77 PHE 7.28 6.24 1 78 GLN 8.75 6.71 1 79 LYS 3.74 3.72 1 80 TRP 5.78 3.92 1 81 TYR 3.76 3.52 1 82 ALA 2.33 1.60 1 84 LEU -0.13 -0.46 1 85 ASN -0.95 -0.98 1 86 TYR 1.40 0.44 1 88 LYS -0.17 -1.26 1 89 LEU -3.85 -0.82 1 91 VAL -0.95 0.44 1 92 VAL -1.33 -0.47 1 93 THR -2.44 -3.05 1 94 ASP -4.03 -3.07 1 95 ASN 3.48 2.68 1 98 THR 6.17 4.95 1 99 ILE 6.20 4.82 1 100 ALA 5.08 3.59 1 101 GLN 3.27 4.12 1 102 SER 4.21 3.58 1 103 LEU 0.31 -0.14 1 104 ASN 2.72 1.39 1 105 ILE 1.32 -0.37 1 106 SER -1.91 -0.66 1 107 VAL -4.53 -1.69 1 108 TYR -5.69 -2.99 1 111 TRP -4.82 -1.19 1 112 ALA -7.03 -1.82 1 113 LEU -4.78 -1.38 1 114 ILE -2.57 -3.19 1 116 LYS 4.26 3.32 1 117 ASP 0.69 0.74 1 119 ASP -0.38 -1.47 1 120 VAL 3.77 2.27 1 121 GLN 0.06 1.68 1 122 ARG -3.78 -0.30 1 123 ILE -1.87 0.02 1 124 VAL -2.99 -0.45 1 125 LYS 0.02 0.27 1 127 SER 1.39 1.37 1 128 ILE -3.86 -1.28 1 129 ASN -3.15 -2.12 1 130 GLU 2.87 4.06 1 131 ALA 3.56 2.83 1 132 GLN 2.43 2.90 1 133 ALA 4.17 3.36 1 134 LEU 3.07 2.36 1 135 ALA 3.78 2.90 1 136 LEU 1.47 1.90 1 137 ILE 4.07 3.60 1 138 ARG 1.95 2.22 1 139 ASP -4.72 -2.84 1 141 ASN -1.02 -0.53 1 142 ALA 0.51 1.15 1 143 ASP 0.54 0.67 1 144 LEU 0.56 1.60 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15280_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.06 _LACS_plot.Line_1_terminator_val_y_1 4.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.98 _LACS_plot.Line_2_terminator_val_x_2 8.74 _LACS_plot.Line_2_terminator_val_y_2 -2.23 _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 110 SER -4.18 6.84 0 10 LYS -5.60 3.78 1 11 THR -2.22 1.76 1 12 ALA 3.71 -0.81 1 13 ASP 0.34 -1.46 1 14 ASN 3.64 -1.41 1 15 ARG 0.54 0.13 1 17 ALA 2.34 0.56 1 18 SER 3.95 -1.21 1 20 TYR -2.31 1.82 1 21 LEU -1.88 0.35 1 22 LYS -0.39 -0.10 1 23 LYS 1.29 0.20 1 24 ASP 2.75 -1.32 1 25 LYS -3.05 3.21 1 27 THR -0.84 1.83 1 28 LEU -3.41 2.41 1 29 ILE -3.38 2.48 1 30 LYS -3.14 1.35 1 31 PHE -0.88 1.17 1 32 TRP -4.43 1.87 1 33 ALA -6.35 4.68 1 34 SER 5.09 -2.16 1 35 TRP -4.08 0.46 1 38 LEU 2.76 0.05 1 40 LEU 4.29 -1.48 1 41 SER 4.13 -0.78 1 42 GLU -2.20 2.34 1 43 LEU 7.11 -2.54 1 45 GLN 3.11 -0.21 1 46 THR 6.85 -1.67 1 47 GLU 3.34 0.35 1 48 LYS 5.10 -1.02 1 49 TRP 2.04 -0.94 1 50 ALA 3.32 -0.88 1 51 GLN -3.21 2.84 1 52 ASP -2.51 3.25 1 53 ALA 3.33 -0.12 1 54 LYS 4.64 -1.02 1 55 PHE 1.25 0.26 1 56 SER 3.51 0.14 1 57 SER 1.76 -0.32 1 58 ALA -5.81 3.99 1 59 ASN -1.40 1.26 1 60 LEU -1.57 2.10 1 61 ILE -7.06 5.02 1 62 THR -3.44 0.84 1 63 VAL -4.23 3.07 1 64 ALA -6.50 3.46 1 65 SER -2.85 1.85 1 68 PHE -3.28 1.70 1 69 LEU 2.77 -2.16 1 70 HIS 4.63 -1.72 1 71 GLU -1.65 1.35 1 72 LYS -0.17 2.11 1 73 LYS -0.47 0.89 1 74 ASP 2.90 0.66 1 76 ASP 3.97 -0.56 1 77 PHE 7.28 -1.04 1 78 GLN 8.75 -2.04 1 79 LYS 3.74 -0.02 1 80 TRP 5.78 -1.86 1 81 TYR 3.76 -0.24 1 82 ALA 2.33 -0.73 1 84 LEU -0.13 -0.33 1 85 ASN -0.95 -0.03 1 86 TYR 1.40 -0.96 1 88 LYS -0.17 -1.09 1 89 LEU -3.85 3.03 1 91 VAL -0.95 1.39 1 92 VAL -1.33 0.86 1 93 THR -2.44 -0.61 1 94 ASP -4.03 0.96 1 95 ASN 3.48 -0.80 1 98 THR 6.17 -1.22 1 99 ILE 6.20 -1.38 1 100 ALA 5.08 -1.49 1 101 GLN 3.27 0.85 1 102 SER 4.21 -0.63 1 103 LEU 0.31 -0.45 1 104 ASN 2.72 -1.33 1 105 ILE 1.32 -1.69 1 106 SER -1.91 1.25 1 107 VAL -4.53 2.84 1 108 TYR -5.69 2.70 1 111 TRP -4.82 3.63 1 112 ALA -7.03 5.21 1 113 LEU -4.78 3.40 1 114 ILE -2.57 -0.62 1 116 LYS 4.26 -0.94 1 117 ASP 0.69 0.05 1 119 ASP -0.38 -1.09 1 120 VAL 3.77 -1.50 1 121 GLN 0.06 1.62 1 122 ARG -3.78 3.48 1 123 ILE -1.87 1.89 1 124 VAL -2.99 2.54 1 125 LYS 0.02 0.25 1 127 SER 1.39 -0.02 1 128 ILE -3.86 2.58 1 129 ASN -3.15 1.03 1 130 GLU 2.87 1.19 1 131 ALA 3.56 -0.73 1 132 GLN 2.43 0.47 1 133 ALA 4.17 -0.81 1 134 LEU 3.07 -0.71 1 135 ALA 3.78 -0.88 1 136 LEU 1.47 0.43 1 137 ILE 4.07 -0.47 1 138 ARG 1.95 0.27 1 139 ASP -4.72 1.88 1 141 ASN -1.02 0.49 1 142 ALA 0.51 0.64 1 143 ASP 0.54 0.13 1 144 LEU 0.56 1.04 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15280_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.06 _LACS_plot.Line_1_terminator_val_y_1 0.66 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.31 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.14 _LACS_plot.Line_2_terminator_val_x_2 8.74 _LACS_plot.Line_2_terminator_val_y_2 -1.08 _LACS_plot.Y_axis_chem_shift_offset 0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 111 TRP -4.82 1.49 0 64 ALA -6.50 -0.36 0 33 ALA -6.35 -0.53 0 130 GLU 2.87 -1.79 0 81 TYR 3.76 -1.87 0 10 LYS -5.60 0.93 1 11 THR -2.22 0.98 1 12 ALA 3.71 -0.14 1 13 ASP 0.34 0.03 1 14 ASN 3.64 -0.51 1 15 ARG 0.54 -0.02 1 17 ALA 2.34 -0.62 1 18 SER 3.95 -0.65 1 20 TYR -2.31 0.15 1 21 LEU -1.88 -0.06 1 22 LYS -0.39 0.09 1 23 LYS 1.29 -0.29 1 24 ASP 2.75 -0.39 1 25 LYS -3.05 0.23 1 27 THR -0.84 0.57 1 28 LEU -3.41 0.88 1 29 ILE -3.38 0.37 1 30 LYS -3.14 -0.33 1 31 PHE -0.88 0.32 1 32 TRP -4.43 -0.59 1 34 SER 5.09 -0.61 1 35 TRP -4.08 -0.14 1 38 LEU 2.76 -0.14 1 40 LEU 4.29 -0.50 1 41 SER 4.13 -0.27 1 42 GLU -2.20 -0.27 1 43 LEU 7.11 -1.34 1 45 GLN 3.11 -0.57 1 46 THR 6.85 -1.58 1 47 GLU 3.34 -1.03 1 48 LYS 5.10 -0.43 1 49 TRP 2.04 -0.38 1 50 ALA 3.32 -0.41 1 51 GLN -3.21 0.13 1 52 ASP -2.51 -0.07 1 53 ALA 3.33 -0.15 1 54 LYS 4.64 -0.42 1 55 PHE 1.25 -0.45 1 56 SER 3.51 -0.25 1 57 SER 1.76 -0.22 1 58 ALA -5.81 0.51 1 59 ASN -1.40 0.22 1 60 LEU -1.57 1.05 1 61 ILE -7.06 0.26 1 62 THR -3.44 0.98 1 63 VAL -4.23 0.57 1 65 SER -2.85 0.01 1 68 PHE -3.28 0.17 1 69 LEU 2.77 -1.17 1 70 HIS 4.63 -0.88 1 71 GLU -1.65 0.05 1 72 LYS -0.17 -0.27 1 73 LYS -0.47 -0.36 1 74 ASP 2.90 -0.32 1 76 ASP 3.97 -0.21 1 77 PHE 7.28 -0.82 1 78 GLN 8.75 -0.68 1 79 LYS 3.74 -0.33 1 80 TRP 5.78 -0.64 1 82 ALA 2.33 -0.49 1 84 LEU -0.13 -0.38 1 85 ASN -0.95 -0.18 1 86 TYR 1.40 -0.17 1 88 LYS -0.17 0.09 1 89 LEU -3.85 -0.42 1 91 VAL -0.95 -0.01 1 92 VAL -1.33 0.14 1 93 THR -2.44 0.46 1 94 ASP -4.03 0.13 1 95 ASN 3.48 -0.33 1 98 THR 6.17 -0.88 1 99 ILE 6.20 -0.72 1 100 ALA 5.08 -1.20 1 101 GLN 3.27 -0.35 1 102 SER 4.21 -0.37 1 103 LEU 0.31 -0.16 1 104 ASN 2.72 -0.57 1 105 ILE 1.32 -0.33 1 106 SER -1.91 -1.02 1 107 VAL -4.53 0.02 1 108 TYR -5.69 0.31 1 110 SER -4.18 0.95 1 112 ALA -7.03 1.22 1 113 LEU -4.78 0.91 1 114 ILE -2.57 0.57 1 116 LYS 4.26 -0.47 1 117 ASP 0.69 0.12 1 119 ASP -0.38 -0.18 1 120 VAL 3.77 -0.24 1 121 GLN 0.06 0.04 1 122 ARG -3.78 0.10 1 123 ILE -1.87 0.75 1 124 VAL -2.99 0.14 1 125 LYS 0.02 0.47 1 127 SER 1.39 0.04 1 128 ILE -3.86 0.59 1 129 ASN -3.15 0.22 1 131 ALA 3.56 -0.59 1 132 GLN 2.43 -0.59 1 133 ALA 4.17 -0.97 1 134 LEU 3.07 -0.90 1 135 ALA 3.78 -0.56 1 136 LEU 1.47 -0.35 1 137 ILE 4.07 -0.65 1 138 ARG 1.95 -0.31 1 139 ASP -4.72 0.17 1 142 ALA 0.51 -0.52 1 143 ASP 0.54 -0.10 1 144 LEU 0.56 -0.28 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15280_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.06 _LACS_plot.Line_1_terminator_val_y_1 -2.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.77 _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 8.74 _LACS_plot.Line_2_terminator_val_y_2 2.94 _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 144 LEU 0.56 5.34 0 11 THR -2.22 4.47 0 10 LYS -5.60 0.56 1 12 ALA 3.71 -0.57 1 13 ASP 0.34 -1.02 1 14 ASN 3.64 -0.39 1 15 ARG 0.54 -0.98 1 17 ALA 2.34 0.59 1 20 TYR -2.31 -0.58 1 21 LEU -1.88 -1.72 1 22 LYS -0.39 1.99 1 23 LYS 1.29 -0.39 1 24 ASP 2.75 -1.58 1 25 LYS -3.05 -1.01 1 27 THR -0.84 -2.16 1 28 LEU -3.41 -3.28 1 29 ILE -3.38 -1.14 1 30 LYS -3.14 -0.58 1 31 PHE -0.88 -0.55 1 32 TRP -4.43 -4.37 1 33 ALA -6.35 0.38 1 34 SER 5.09 -0.17 1 35 TRP -4.08 -0.43 1 38 LEU 2.76 1.96 1 40 LEU 4.29 2.94 1 41 SER 4.13 1.64 1 42 GLU -2.20 1.02 1 43 LEU 7.11 0.23 1 45 GLN 3.11 0.44 1 46 THR 6.85 0.82 1 47 GLU 3.34 1.42 1 48 LYS 5.10 4.34 1 49 TRP 2.04 2.11 1 50 ALA 3.32 1.57 1 51 GLN -3.21 -0.64 1 52 ASP -2.51 2.48 1 53 ALA 3.33 3.31 1 54 LYS 4.64 1.59 1 55 PHE 1.25 0.83 1 56 SER 3.51 0.53 1 57 SER 1.76 -1.90 1 58 ALA -5.81 -1.11 1 59 ASN -1.40 -1.11 1 60 LEU -1.57 -1.84 1 61 ILE -7.06 -3.28 1 62 THR -3.44 -2.44 1 63 VAL -4.23 -2.02 1 64 ALA -6.50 -0.96 1 68 PHE -3.28 0.45 1 69 LEU 2.77 -1.22 1 70 HIS 4.63 1.73 1 71 GLU -1.65 -0.71 1 72 LYS -0.17 0.06 1 73 LYS -0.47 -0.16 1 74 ASP 2.90 1.51 1 76 ASP 3.97 4.08 1 77 PHE 7.28 0.64 1 78 GLN 8.75 3.18 1 79 LYS 3.74 2.39 1 80 TRP 5.78 2.69 1 81 TYR 3.76 1.52 1 82 ALA 2.33 0.97 1 84 LEU -0.13 -1.36 1 85 ASN -0.95 -2.09 1 86 TYR 1.40 0.37 1 88 LYS -0.17 -0.57 1 89 LEU -3.85 -1.22 1 91 VAL -0.95 -1.90 1 92 VAL -1.33 -1.23 1 93 THR -2.44 -1.18 1 94 ASP -4.03 0.06 1 95 ASN 3.48 2.22 1 98 THR 6.17 3.91 1 99 ILE 6.20 2.58 1 100 ALA 5.08 2.93 1 101 GLN 3.27 4.53 1 102 SER 4.21 1.07 1 103 LEU 0.31 -1.81 1 104 ASN 2.72 -0.39 1 105 ILE 1.32 -0.26 1 106 SER -1.91 -1.86 1 107 VAL -4.53 -2.41 1 108 TYR -5.69 0.48 1 110 SER -4.18 1.15 1 111 TRP -4.82 -0.63 1 112 ALA -7.03 -3.12 1 113 LEU -4.78 -2.81 1 114 ILE -2.57 0.23 1 116 LYS 4.26 0.78 1 117 ASP 0.69 1.23 1 119 ASP -0.38 0.06 1 120 VAL 3.77 0.63 1 121 GLN 0.06 0.72 1 122 ARG -3.78 -2.18 1 123 ILE -1.87 -0.35 1 124 VAL -2.99 -1.23 1 125 LYS 0.02 0.79 1 127 SER 1.39 1.72 1 128 ILE -3.86 -1.31 1 129 ASN -3.15 -0.01 1 130 GLU 2.87 0.48 1 131 ALA 3.56 4.30 1 132 GLN 2.43 1.41 1 133 ALA 4.17 1.39 1 134 LEU 3.07 2.58 1 135 ALA 3.78 2.48 1 136 LEU 1.47 0.15 1 137 ILE 4.07 1.89 1 138 ARG 1.95 0.71 1 139 ASP -4.72 -2.93 1 141 ASN -1.02 0.64 1 142 ALA 0.51 -0.07 1 143 ASP 0.54 -0.83 1 stop_ save_