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 bmr27880_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.48 _LACS_plot.Line_1_terminator_val_y_1 -3.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.71 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.55 _LACS_plot.Line_2_terminator_val_x_2 5.49 _LACS_plot.Line_2_terminator_val_y_2 4.10 _LACS_plot.Y_axis_chem_shift_offset 0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 116 ILE 0.83 4.94 0 11 THR -2.22 -0.92 1 13 GLN 4.00 2.67 1 14 THR -1.04 0.00 1 15 ALA 3.86 3.18 1 16 ALA 4.82 3.20 1 17 LYS 3.72 2.68 1 18 ALA 3.97 2.42 1 19 ASN 2.95 2.37 1 20 ALA 3.29 2.41 1 21 VAL -0.27 -1.27 1 23 TYR -2.46 0.02 1 24 THR 0.94 0.70 1 25 HIS -1.48 1.08 1 26 ALA -5.21 -1.44 1 27 LEU -4.07 -1.47 1 28 THR -1.52 -1.10 1 29 TRP -0.35 -1.31 1 30 VAL -4.43 -2.79 1 31 TRP -2.80 -0.96 1 35 THR 4.12 3.93 1 36 TRP -3.51 -4.57 1 37 ASP -0.06 -1.80 1 38 VAL -5.90 -3.56 1 39 ASP 5.49 5.58 1 40 SER 2.06 1.65 1 41 VAL 2.77 1.13 1 42 ARG -5.14 -2.42 1 43 ASP 1.08 1.26 1 45 SER -2.17 -1.72 1 46 LEU -5.98 -1.78 1 47 ARG -4.51 -2.52 1 48 ALA -6.91 -1.98 1 49 ASP 1.33 0.74 1 50 PHE 0.77 -0.30 1 51 ASN -2.43 -0.78 1 53 GLU -1.41 -0.93 1 55 VAL -1.74 -0.36 1 57 TRP 0.19 -0.96 1 58 VAL -4.22 -3.21 1 59 SER -1.59 -0.85 1 60 VAL -2.66 -1.59 1 63 ALA -3.46 -0.40 1 69 ALA 1.34 2.00 1 70 HIS -2.59 1.11 1 71 TYR -3.68 -0.09 1 72 TYR -1.14 -1.36 1 73 THR -1.27 -1.76 1 74 SER -3.94 -1.52 1 76 GLN -0.93 0.05 1 77 VAL -2.18 -1.26 1 78 LYS 4.24 2.62 1 79 TYR 2.39 -0.91 1 80 PHE -5.14 -1.26 1 81 THR -4.14 -2.75 1 82 ASN 2.89 1.03 1 83 ILE 2.83 1.10 1 86 VAL -1.91 -1.10 1 87 HIS -5.00 -0.09 1 88 PHE -2.73 -1.02 1 89 ASP -0.45 0.11 1 90 VAL -7.48 -4.01 1 91 VAL 2.23 0.74 1 93 ALA 2.32 2.44 1 94 ASP 3.36 3.29 1 96 GLU 2.60 2.54 1 97 ARG 2.26 1.75 1 98 SER 2.28 1.92 1 99 VAL 2.21 1.60 1 100 GLN 1.88 1.36 1 101 LEU 2.42 1.32 1 102 ASP 2.03 2.13 1 103 ASP 1.86 1.86 1 104 GLU 2.87 2.57 1 105 ILE 5.26 2.86 1 106 ASP 4.16 3.61 1 107 ARG 5.11 3.81 1 108 GLU 3.88 3.23 1 109 HIS 3.47 2.78 1 110 GLN 5.37 4.02 1 111 GLU 3.15 3.03 1 112 ARG 3.59 1.78 1 113 ASN 4.14 2.30 1 114 ALA 4.23 2.98 1 115 GLU 2.79 2.36 1 117 SER 4.40 3.51 1 118 ALA 3.84 2.82 1 120 ASN 3.44 2.26 1 121 ALA 3.90 2.78 1 122 ARG 4.59 3.41 1 123 ALA 4.71 3.41 1 124 LEU 3.47 2.84 1 125 SER 3.94 3.07 1 126 GLU -1.23 -0.64 1 130 ALA -0.12 -1.39 1 131 SER -0.45 0.17 1 132 LEU -0.51 0.24 1 133 VAL -2.07 -1.37 1 134 TYR 1.01 -0.18 1 135 LEU -0.13 0.95 1 136 SER -3.52 -0.78 1 137 ARG 3.77 2.87 1 138 ASP 0.44 1.32 1 139 ALA 2.19 1.83 1 141 ASP -1.67 -1.27 1 142 ILE 1.75 1.41 1 144 GLU 4.68 3.24 1 145 HIS -2.17 0.35 1 148 ARG 1.70 2.04 1 150 ARG 1.78 0.02 1 151 PHE -0.97 -0.90 1 152 VAL -2.06 -1.63 1 153 LYS 2.85 2.52 1 154 TYR -0.74 -2.49 1 155 LEU 0.74 1.94 1 156 ASN -1.76 -0.48 1 157 PHE 1.00 1.88 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27880_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.48 _LACS_plot.Line_1_terminator_val_y_1 4.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.45 _LACS_plot.Line_2_terminator_val_x_2 5.49 _LACS_plot.Line_2_terminator_val_y_2 -1.39 _LACS_plot.Y_axis_chem_shift_offset 0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 116 ILE 0.83 4.11 0 11 THR -2.22 1.30 1 13 GLN 4.00 -1.33 1 14 THR -1.04 1.04 1 15 ALA 3.86 -0.68 1 16 ALA 4.82 -1.62 1 17 LYS 3.72 -1.04 1 18 ALA 3.97 -1.55 1 19 ASN 2.95 -0.58 1 20 ALA 3.29 -0.88 1 21 VAL -0.27 -1.00 1 23 TYR -2.46 2.48 1 24 THR 0.94 -0.24 1 25 HIS -1.48 2.56 1 26 ALA -5.21 3.77 1 27 LEU -4.07 2.60 1 28 THR -1.52 0.42 1 29 TRP -0.35 -0.96 1 30 VAL -4.43 1.64 1 31 TRP -2.80 1.84 1 35 THR 4.12 -0.19 1 36 TRP -3.51 -1.06 1 37 ASP -0.06 -1.74 1 38 VAL -5.90 2.34 1 39 ASP 5.49 0.09 1 40 SER 2.06 -0.41 1 41 VAL 2.77 -1.64 1 42 ARG -5.14 2.72 1 43 ASP 1.08 0.18 1 45 SER -2.17 0.45 1 46 LEU -5.98 4.20 1 47 ARG -4.51 1.99 1 48 ALA -6.91 4.93 1 49 ASP 1.33 -0.59 1 50 PHE 0.77 -1.07 1 51 ASN -2.43 1.65 1 53 GLU -1.41 0.48 1 55 VAL -1.74 1.38 1 57 TRP 0.19 -1.15 1 58 VAL -4.22 1.01 1 59 SER -1.59 0.74 1 60 VAL -2.66 1.07 1 63 ALA -3.46 3.06 1 69 ALA 1.34 0.66 1 70 HIS -2.59 3.70 1 71 TYR -3.68 3.59 1 72 TYR -1.14 -0.22 1 73 THR -1.27 -0.49 1 74 SER -3.94 2.42 1 76 GLN -0.93 0.98 1 77 VAL -2.18 0.92 1 78 LYS 4.24 -1.62 1 79 TYR 2.39 -3.30 1 80 PHE -5.14 3.88 1 81 THR -4.14 1.39 1 82 ASN 2.89 -1.86 1 83 ILE 2.83 -1.73 1 86 VAL -1.91 0.81 1 87 HIS -5.00 4.91 1 88 PHE -2.73 1.71 1 89 ASP -0.45 0.56 1 90 VAL -7.48 3.47 1 91 VAL 2.23 -1.49 1 93 ALA 2.32 0.12 1 94 ASP 3.36 -0.07 1 96 GLU 2.60 -0.06 1 97 ARG 2.26 -0.51 1 98 SER 2.28 -0.36 1 99 VAL 2.21 -0.61 1 100 GLN 1.88 -0.52 1 101 LEU 2.42 -1.10 1 102 ASP 2.03 0.10 1 103 ASP 1.86 0.00 1 104 GLU 2.87 -0.30 1 105 ILE 5.26 -2.40 1 106 ASP 4.16 -0.55 1 107 ARG 5.11 -1.30 1 108 GLU 3.88 -0.65 1 109 HIS 3.47 -0.69 1 110 GLN 5.37 -1.35 1 111 GLU 3.15 -0.12 1 112 ARG 3.59 -1.81 1 113 ASN 4.14 -1.84 1 114 ALA 4.23 -1.25 1 115 GLU 2.79 -0.43 1 117 SER 4.40 -0.89 1 118 ALA 3.84 -1.02 1 120 ASN 3.44 -1.18 1 121 ALA 3.90 -1.12 1 122 ARG 4.59 -1.18 1 123 ALA 4.71 -1.30 1 124 LEU 3.47 -0.63 1 125 SER 3.94 -0.87 1 126 GLU -1.23 0.59 1 130 ALA -0.12 -1.27 1 131 SER -0.45 0.62 1 132 LEU -0.51 0.75 1 133 VAL -2.07 0.70 1 134 TYR 1.01 -1.19 1 135 LEU -0.13 1.08 1 136 SER -3.52 2.74 1 137 ARG 3.77 -0.90 1 138 ASP 0.44 0.88 1 139 ALA 2.19 -0.36 1 141 ASP -1.67 0.40 1 142 ILE 1.75 -0.34 1 144 GLU 4.68 -1.44 1 145 HIS -2.17 2.52 1 148 ARG 1.70 0.34 1 150 ARG 1.78 -1.76 1 151 PHE -0.97 0.07 1 152 VAL -2.06 0.43 1 153 LYS 2.85 -0.33 1 154 TYR -0.74 -1.75 1 155 LEU 0.74 1.20 1 156 ASN -1.76 1.28 1 157 PHE 1.00 0.88 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27880_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.48 _LACS_plot.Line_1_terminator_val_y_1 0.72 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.25 _LACS_plot.Line_2_terminator_val_x_2 5.49 _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 18 ALA 3.97 -1.32 0 51 ASN -2.43 -0.89 0 11 THR -2.22 0.43 1 14 THR -1.04 0.61 1 15 ALA 3.86 -0.42 1 16 ALA 4.82 -0.15 1 17 LYS 3.72 -0.22 1 19 ASN 2.95 -0.43 1 20 ALA 3.29 -0.16 1 21 VAL -0.27 0.35 1 23 TYR -2.46 -0.09 1 24 THR 0.94 0.43 1 25 HIS -1.48 0.46 1 26 ALA -5.21 0.36 1 27 LEU -4.07 0.82 1 28 THR -1.52 -0.15 1 29 TRP -0.35 0.89 1 30 VAL -4.43 0.56 1 31 TRP -2.80 0.62 1 35 THR 4.12 -0.98 1 36 TRP -3.51 -0.08 1 37 ASP -0.06 0.32 1 38 VAL -5.90 0.67 1 39 ASP 5.49 -0.35 1 40 SER 2.06 -0.18 1 41 VAL 2.77 -0.79 1 42 ARG -5.14 0.35 1 43 ASP 1.08 -0.16 1 45 SER -2.17 0.88 1 46 LEU -5.98 0.51 1 47 ARG -4.51 1.33 1 48 ALA -6.91 0.53 1 49 ASP 1.33 0.11 1 50 PHE 0.77 -0.21 1 53 GLU -1.41 -0.01 1 55 VAL -1.74 0.08 1 57 TRP 0.19 0.52 1 58 VAL -4.22 0.51 1 59 SER -1.59 0.44 1 60 VAL -2.66 0.81 1 63 ALA -3.46 0.82 1 69 ALA 1.34 0.24 1 70 HIS -2.59 0.82 1 71 TYR -3.68 0.33 1 72 TYR -1.14 0.48 1 73 THR -1.27 -0.27 1 74 SER -3.94 1.28 1 76 GLN -0.93 -0.27 1 77 VAL -2.18 -0.10 1 78 LYS 4.24 -0.61 1 79 TYR 2.39 -0.26 1 80 PHE -5.14 0.75 1 81 THR -4.14 0.26 1 82 ASN 2.89 -0.37 1 83 ILE 2.83 -0.29 1 86 VAL -1.91 -0.16 1 87 HIS -5.00 0.43 1 88 PHE -2.73 -0.12 1 89 ASP -0.45 1.09 1 90 VAL -7.48 0.84 1 91 VAL 2.23 0.49 1 93 ALA 2.32 -0.56 1 94 ASP 3.36 -0.24 1 96 GLU 2.60 -0.45 1 97 ARG 2.26 -0.14 1 98 SER 2.28 -0.20 1 99 VAL 2.21 -0.13 1 100 GLN 1.88 -0.09 1 101 LEU 2.42 -0.11 1 102 ASP 2.03 -0.19 1 103 ASP 1.86 -0.17 1 104 GLU 2.87 -0.33 1 105 ILE 5.26 -1.04 1 106 ASP 4.16 -0.39 1 107 ARG 5.11 -0.29 1 108 GLU 3.88 -0.22 1 109 HIS 3.47 -0.26 1 110 GLN 5.37 -0.18 1 111 GLU 3.15 -0.20 1 112 ARG 3.59 -0.01 1 113 ASN 4.14 0.18 1 114 ALA 4.23 0.01 1 115 GLU 2.79 -0.02 1 116 ILE 0.83 -0.64 1 117 SER 4.40 0.03 1 118 ALA 3.84 -0.01 1 120 ASN 3.44 -0.12 1 121 ALA 3.90 -0.15 1 122 ARG 4.59 -0.23 1 123 ALA 4.71 -0.38 1 124 LEU 3.47 -0.01 1 125 SER 3.94 0.23 1 126 GLU -1.23 0.10 1 130 ALA -0.12 0.09 1 131 SER -0.45 0.24 1 132 LEU -0.51 0.02 1 133 VAL -2.07 -0.13 1 134 TYR 1.01 -0.09 1 135 LEU -0.13 0.13 1 136 SER -3.52 -0.29 1 137 ARG 3.77 0.35 1 138 ASP 0.44 -0.02 1 139 ALA 2.19 -0.02 1 141 ASP -1.67 0.25 1 142 ILE 1.75 -0.10 1 144 GLU 4.68 -0.26 1 145 HIS -2.17 -0.12 1 148 ARG 1.70 0.12 1 150 ARG 1.78 -0.04 1 151 PHE -0.97 0.62 1 152 VAL -2.06 -0.42 1 153 LYS 2.85 -1.00 1 154 TYR -0.74 0.28 1 155 LEU 0.74 -0.43 1 156 ASN -1.76 0.21 1 157 PHE 1.00 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27880_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.48 _LACS_plot.Line_1_terminator_val_y_1 -3.41 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.86 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.03 _LACS_plot.Line_2_terminator_val_x_2 5.49 _LACS_plot.Line_2_terminator_val_y_2 2.55 _LACS_plot.Y_axis_chem_shift_offset 0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 38 VAL -5.90 1.96 0 139 ALA 2.19 -4.69 0 13 GLN 4.00 1.10 1 14 THR -1.04 -0.20 1 16 ALA 4.82 3.48 1 17 LYS 3.72 1.53 1 18 ALA 3.97 2.02 1 19 ASN 2.95 3.27 1 20 ALA 3.29 1.62 1 21 VAL -0.27 0.10 1 23 TYR -2.46 -1.21 1 24 THR 0.94 -0.43 1 25 HIS -1.48 -1.99 1 26 ALA -5.21 -2.30 1 27 LEU -4.07 -1.43 1 28 THR -1.52 -3.15 1 29 TRP -0.35 -0.98 1 30 VAL -4.43 -2.24 1 31 TRP -2.80 0.27 1 35 THR 4.12 -2.64 1 36 TRP -3.51 -1.90 1 37 ASP -0.06 -1.47 1 39 ASP 5.49 1.23 1 40 SER 2.06 -0.34 1 41 VAL 2.77 -2.49 1 42 ARG -5.14 -0.83 1 45 SER -2.17 -0.67 1 46 LEU -5.98 -0.84 1 47 ARG -4.51 -1.12 1 48 ALA -6.91 -2.16 1 49 ASP 1.33 -2.11 1 50 PHE 0.77 -0.79 1 53 GLU -1.41 -0.31 1 55 VAL -1.74 -1.88 1 57 TRP 0.19 -0.38 1 58 VAL -4.22 -2.60 1 59 SER -1.59 -1.68 1 60 VAL -2.66 -3.19 1 69 ALA 1.34 -0.26 1 70 HIS -2.59 -0.24 1 71 TYR -3.68 -4.08 1 72 TYR -1.14 -3.00 1 73 THR -1.27 -4.20 1 74 SER -3.94 -1.24 1 76 GLN -0.93 -0.24 1 77 VAL -2.18 -1.58 1 78 LYS 4.24 -0.59 1 79 TYR 2.39 -2.51 1 80 PHE -5.14 -2.47 1 81 THR -4.14 -1.74 1 82 ASN 2.89 0.01 1 86 VAL -1.91 -2.42 1 87 HIS -5.00 -0.03 1 88 PHE -2.73 -2.69 1 89 ASP -0.45 -0.23 1 90 VAL -7.48 -2.53 1 91 VAL 2.23 0.32 1 93 ALA 2.32 2.63 1 94 ASP 3.36 2.56 1 96 GLU 2.60 1.74 1 97 ARG 2.26 1.25 1 98 SER 2.28 0.80 1 99 VAL 2.21 0.64 1 100 GLN 1.88 1.09 1 101 LEU 2.42 0.35 1 102 ASP 2.03 0.93 1 103 ASP 1.86 1.61 1 104 GLU 2.87 1.51 1 105 ILE 5.26 1.24 1 106 ASP 4.16 2.91 1 107 ARG 5.11 2.76 1 108 GLU 3.88 4.21 1 109 HIS 3.47 2.59 1 110 GLN 5.37 3.30 1 111 GLU 3.15 3.32 1 112 ARG 3.59 3.18 1 113 ASN 4.14 2.97 1 114 ALA 4.23 3.27 1 115 GLU 2.79 2.88 1 116 ILE 0.83 1.93 1 117 SER 4.40 2.95 1 118 ALA 3.84 3.07 1 120 ASN 3.44 1.84 1 121 ALA 3.90 3.26 1 122 ARG 4.59 2.48 1 123 ALA 4.71 2.17 1 124 LEU 3.47 4.47 1 125 SER 3.94 0.81 1 126 GLU -1.23 0.04 1 131 SER -0.45 -0.01 1 132 LEU -0.51 -0.54 1 133 VAL -2.07 -1.49 1 134 TYR 1.01 0.41 1 135 LEU -0.13 0.11 1 136 SER -3.52 -1.03 1 137 ARG 3.77 1.51 1 138 ASP 0.44 -0.43 1 141 ASP -1.67 0.62 1 144 GLU 4.68 1.05 1 145 HIS -2.17 2.23 1 148 ARG 1.70 0.34 1 150 ARG 1.78 -2.50 1 151 PHE -0.97 0.23 1 152 VAL -2.06 -2.63 1 153 LYS 2.85 0.67 1 154 TYR -0.74 -0.90 1 155 LEU 0.74 -1.57 1 156 ASN -1.76 -1.36 1 stop_ save_