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 bmr25476_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.20 _LACS_plot.Line_1_terminator_val_y_1 -2.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.43 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.71 _LACS_plot.Line_2_terminator_val_x_2 6.98 _LACS_plot.Line_2_terminator_val_y_2 5.09 _LACS_plot.Y_axis_chem_shift_offset 0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 125 HIS 2.98 5.71 0 59 LEU 3.56 -1.57 0 10 THR 0.17 -0.02 1 12 SER 0.26 0.08 1 14 GLU -0.31 -0.05 1 15 ASN 0.46 0.11 1 16 LEU 0.51 0.23 1 17 TYR -0.15 -0.23 1 18 PHE 0.32 0.11 1 19 GLN 0.78 0.19 1 21 HIS -0.74 1.30 1 22 MET 1.43 0.64 1 23 THR -0.37 -0.20 1 24 LEU 2.09 0.44 1 26 SER 1.80 1.11 1 28 HIS 1.01 3.04 1 32 ARG 3.17 2.28 1 33 LEU 3.86 0.90 1 34 ILE 6.40 4.03 1 35 LYS 4.88 3.86 1 36 LYS 3.68 2.53 1 37 PHE -0.26 -1.06 1 38 THR 5.92 5.04 1 39 ALA 1.69 0.89 1 40 LEU 1.51 1.53 1 43 TYR -2.82 -0.12 1 44 ILE 1.03 0.73 1 46 GLU 4.51 4.26 1 48 GLN -0.32 -0.38 1 50 GLU -1.17 -1.04 1 52 ASN 0.05 0.35 1 53 ARG -3.53 -0.95 1 55 PHE -4.51 -0.01 1 56 PHE -6.49 -2.84 1 57 ASP 0.03 -0.04 1 60 ALA 0.87 2.88 1 61 VAL -4.84 -1.26 1 63 VAL 4.25 3.19 1 64 ASN -1.45 -0.41 1 65 VAL 1.00 -0.27 1 66 LYS 6.98 4.88 1 68 ALA 1.04 0.24 1 70 GLU 3.13 1.52 1 71 LYS -1.60 -1.53 1 72 ARG -0.41 0.69 1 74 PHE -5.35 -0.74 1 75 TRP -3.53 -1.26 1 79 MET -3.18 -0.17 1 81 LEU -7.57 -2.49 1 82 GLU -3.85 -1.55 1 83 ALA -2.05 0.18 1 84 GLN -2.01 -1.76 1 85 GLU 5.02 4.74 1 86 LYS -1.61 -1.41 1 87 ARG -4.57 -2.47 1 88 PHE -3.93 -1.58 1 89 THR -4.27 -3.81 1 90 TYR -8.20 -2.40 1 91 ARG -2.73 -0.85 1 93 GLN -2.44 -0.85 1 94 PHE -4.22 -4.02 1 96 LEU -5.77 -1.31 1 98 ASP -2.81 -1.45 1 99 LYS 3.45 1.38 1 100 GLU -0.79 -1.27 1 102 ASN -3.20 -1.94 1 104 THR -3.58 -1.33 1 105 VAL 3.35 2.08 1 106 VAL -4.34 -1.75 1 108 ILE 0.27 -0.98 1 109 ASN 0.27 -0.89 1 111 THR 5.92 4.50 1 112 GLU 3.72 2.86 1 113 VAL 5.17 3.75 1 114 VAL 6.59 5.15 1 115 GLU 3.56 3.05 1 116 ARG 2.82 1.54 1 117 LEU 6.99 4.19 1 118 GLU 5.52 3.84 1 119 TYR 4.23 4.22 1 120 THR 3.08 3.09 1 121 LEU 4.04 3.10 1 122 ARG 6.07 4.46 1 123 GLU 2.23 2.35 1 124 PHE 3.16 3.10 1 126 GLU 3.61 3.01 1 127 LYS 2.83 2.51 1 128 LEU 3.40 2.24 1 129 ARG 5.33 3.64 1 130 ASP 4.17 2.94 1 131 LEU 3.69 2.58 1 132 LEU 6.53 3.51 1 133 ILE 5.04 3.56 1 134 SER 4.26 3.09 1 135 MET -1.21 -0.07 1 136 GLU 4.06 0.67 1 137 LEU -5.17 -2.00 1 138 ALA -3.23 -1.63 1 139 LEU -2.35 -1.26 1 140 GLU -4.90 -1.23 1 142 SER 1.76 0.93 1 143 ASP 3.81 2.90 1 144 ASP -0.58 -1.41 1 145 PHE -4.23 -1.66 1 146 ASN -0.50 0.33 1 147 ASP 3.83 1.83 1 150 VAL -0.45 -1.22 1 151 LYS -4.46 -3.05 1 152 LEU 2.55 0.95 1 153 SER 0.81 0.32 1 154 ALA 0.74 1.46 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25476_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.20 _LACS_plot.Line_1_terminator_val_y_1 5.44 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.29 _LACS_plot.Line_2_terminator_val_x_2 6.98 _LACS_plot.Line_2_terminator_val_y_2 -1.89 _LACS_plot.Y_axis_chem_shift_offset 0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 125 HIS 2.98 2.73 0 59 LEU 3.56 -5.13 0 10 THR 0.17 -0.19 1 12 SER 0.26 -0.18 1 14 GLU -0.31 0.26 1 15 ASN 0.46 -0.35 1 16 LEU 0.51 -0.28 1 17 TYR -0.15 -0.08 1 18 PHE 0.32 -0.21 1 19 GLN 0.78 -0.59 1 21 HIS -0.74 2.04 1 22 MET 1.43 -0.79 1 23 THR -0.37 0.17 1 24 LEU 2.09 -1.65 1 26 SER 1.80 -0.69 1 28 HIS 1.01 2.03 1 32 ARG 3.17 -0.89 1 33 LEU 3.86 -2.96 1 34 ILE 6.40 -2.37 1 35 LYS 4.88 -1.02 1 36 LYS 3.68 -1.15 1 37 PHE -0.26 -0.80 1 38 THR 5.92 -0.88 1 39 ALA 1.69 -0.80 1 40 LEU 1.51 0.02 1 43 TYR -2.82 2.70 1 44 ILE 1.03 -0.30 1 46 GLU 4.51 -0.25 1 48 GLN -0.32 -0.06 1 50 GLU -1.17 0.13 1 52 ASN 0.05 0.30 1 53 ARG -3.53 2.58 1 55 PHE -4.51 4.50 1 56 PHE -6.49 3.65 1 57 ASP 0.03 -0.07 1 60 ALA 0.87 2.01 1 61 VAL -4.84 3.58 1 63 VAL 4.25 -1.06 1 64 ASN -1.45 1.04 1 65 VAL 1.00 -1.27 1 66 LYS 6.98 -2.10 1 68 ALA 1.04 -0.80 1 70 GLU 3.13 -1.61 1 71 LYS -1.60 0.07 1 72 ARG -0.41 1.10 1 74 PHE -5.35 4.61 1 75 TRP -3.53 2.27 1 79 MET -3.18 3.01 1 81 LEU -7.57 5.08 1 82 GLU -3.85 2.30 1 83 ALA -2.05 2.23 1 84 GLN -2.01 0.25 1 85 GLU 5.02 -0.28 1 86 LYS -1.61 0.20 1 87 ARG -4.57 2.10 1 88 PHE -3.93 2.35 1 89 THR -4.27 0.46 1 90 TYR -8.20 5.80 1 91 ARG -2.73 1.88 1 93 GLN -2.44 1.59 1 94 PHE -4.22 0.20 1 96 LEU -5.77 4.46 1 98 ASP -2.81 1.36 1 99 LYS 3.45 -2.07 1 100 GLU -0.79 -0.48 1 102 ASN -3.20 1.26 1 104 THR -3.58 2.25 1 105 VAL 3.35 -1.27 1 106 VAL -4.34 2.59 1 108 ILE 0.27 -1.25 1 109 ASN 0.27 -1.16 1 111 THR 5.92 -1.42 1 112 GLU 3.72 -0.86 1 113 VAL 5.17 -1.42 1 114 VAL 6.59 -1.44 1 115 GLU 3.56 -0.51 1 116 ARG 2.82 -1.28 1 117 LEU 6.99 -2.80 1 118 GLU 5.52 -1.68 1 119 TYR 4.23 -0.01 1 120 THR 3.08 0.01 1 121 LEU 4.04 -0.94 1 122 ARG 6.07 -1.61 1 123 GLU 2.23 0.12 1 124 PHE 3.16 -0.06 1 126 GLU 3.61 -0.60 1 127 LYS 2.83 -0.32 1 128 LEU 3.40 -1.16 1 129 ARG 5.33 -1.69 1 130 ASP 4.17 -1.23 1 131 LEU 3.69 -1.11 1 132 LEU 6.53 -3.02 1 133 ILE 5.04 -1.48 1 134 SER 4.26 -1.17 1 135 MET -1.21 1.14 1 136 GLU 4.06 -3.39 1 137 LEU -5.17 3.17 1 138 ALA -3.23 1.60 1 139 LEU -2.35 1.09 1 140 GLU -4.90 3.67 1 142 SER 1.76 -0.83 1 143 ASP 3.81 -0.91 1 144 ASP -0.58 -0.83 1 145 PHE -4.23 2.57 1 146 ASN -0.50 0.83 1 147 ASP 3.83 -2.00 1 150 VAL -0.45 -0.77 1 151 LYS -4.46 1.41 1 152 LEU 2.55 -1.60 1 153 SER 0.81 -0.49 1 154 ALA 0.74 0.72 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25476_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.20 _LACS_plot.Line_1_terminator_val_y_1 1.01 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.23 _LACS_plot.Line_2_terminator_val_x_2 6.98 _LACS_plot.Line_2_terminator_val_y_2 -0.69 _LACS_plot.Y_axis_chem_shift_offset -0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 125 HIS 2.98 -1.70 0 89 THR -4.27 1.96 0 83 ALA -2.05 -1.20 0 10 THR 0.17 0.03 1 12 SER 0.26 0.02 1 14 GLU -0.31 -0.09 1 15 ASN 0.46 -0.08 1 16 LEU 0.51 -0.11 1 17 TYR -0.15 0.01 1 18 PHE 0.32 -0.08 1 19 GLN 0.78 -0.16 1 21 HIS -0.74 -0.22 1 22 MET 1.43 0.00 1 23 THR -0.37 0.20 1 24 LEU 2.09 -0.02 1 26 SER 1.80 0.11 1 28 HIS 1.01 -0.35 1 32 ARG 3.17 -0.19 1 33 LEU 3.86 -0.77 1 34 ILE 6.40 -0.40 1 35 LYS 4.88 -0.19 1 36 LYS 3.68 -0.20 1 37 PHE -0.26 0.14 1 38 THR 5.92 0.02 1 39 ALA 1.69 0.06 1 40 LEU 1.51 0.03 1 43 TYR -2.82 0.63 1 44 ILE 1.03 -0.05 1 46 GLU 4.51 -0.25 1 48 GLN -0.32 -0.03 1 50 GLU -1.17 0.19 1 52 ASN 0.05 -0.16 1 53 ARG -3.53 1.17 1 55 PHE -4.51 0.62 1 56 PHE -6.49 0.55 1 57 ASP 0.03 -0.06 1 59 LEU 3.56 -0.13 1 60 ALA 0.87 0.02 1 61 VAL -4.84 0.50 1 63 VAL 4.25 -0.64 1 64 ASN -1.45 0.05 1 65 VAL 1.00 0.00 1 66 LYS 6.98 -0.40 1 68 ALA 1.04 -0.15 1 70 GLU 3.13 -0.06 1 71 LYS -1.60 0.14 1 72 ARG -0.41 -0.04 1 74 PHE -5.35 0.54 1 75 TRP -3.53 1.24 1 79 MET -3.18 -0.11 1 81 LEU -7.57 1.72 1 82 GLU -3.85 0.83 1 84 GLN -2.01 0.41 1 85 GLU 5.02 -0.80 1 86 LYS -1.61 0.31 1 87 ARG -4.57 0.96 1 88 PHE -3.93 1.12 1 90 TYR -8.20 1.54 1 91 ARG -2.73 1.17 1 93 GLN -2.44 0.08 1 94 PHE -4.22 1.21 1 96 LEU -5.77 1.03 1 98 ASP -2.81 -0.31 1 99 LYS 3.45 -0.23 1 100 GLU -0.79 -0.09 1 102 ASN -3.20 -0.03 1 104 THR -3.58 0.47 1 105 VAL 3.35 0.41 1 106 VAL -4.34 0.53 1 108 ILE 0.27 -0.25 1 109 ASN 0.27 -0.38 1 111 THR 5.92 -0.55 1 112 GLU 3.72 -0.24 1 113 VAL 5.17 -0.50 1 114 VAL 6.59 -0.83 1 115 GLU 3.56 -0.24 1 116 ARG 2.82 0.03 1 117 LEU 6.99 -0.51 1 118 GLU 5.52 -0.61 1 119 TYR 4.23 -0.48 1 120 THR 3.08 -0.04 1 121 LEU 4.04 -0.80 1 122 ARG 6.07 -0.73 1 123 GLU 2.23 -0.43 1 124 PHE 3.16 -0.70 1 126 GLU 3.61 -0.91 1 127 LYS 2.83 -0.35 1 128 LEU 3.40 -0.89 1 129 ARG 5.33 -0.93 1 130 ASP 4.17 -0.33 1 131 LEU 3.69 -0.24 1 132 LEU 6.53 -0.51 1 133 ILE 5.04 -0.20 1 134 SER 4.26 -0.07 1 135 MET -1.21 0.05 1 136 GLU 4.06 -0.45 1 137 LEU -5.17 0.32 1 138 ALA -3.23 0.13 1 139 LEU -2.35 1.14 1 140 GLU -4.90 0.49 1 142 SER 1.76 -0.41 1 143 ASP 3.81 -0.27 1 144 ASP -0.58 -0.02 1 145 PHE -4.23 0.41 1 146 ASN -0.50 0.00 1 147 ASP 3.83 -0.51 1 150 VAL -0.45 -0.13 1 151 LYS -4.46 0.19 1 152 LEU 2.55 -0.54 1 153 SER 0.81 0.14 1 154 ALA 0.74 -0.28 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25476_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.20 _LACS_plot.Line_1_terminator_val_y_1 -2.94 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.29 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.04 _LACS_plot.Line_2_terminator_val_x_2 6.98 _LACS_plot.Line_2_terminator_val_y_2 1.99 _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 37 PHE -0.26 5.16 0 154 ALA 0.74 -6.20 0 14 GLU -0.31 -0.46 1 15 ASN 0.46 -0.27 1 16 LEU 0.51 -0.63 1 17 TYR -0.15 -0.27 1 18 PHE 0.32 -1.36 1 22 MET 1.43 -0.19 1 23 THR -0.37 -0.55 1 24 LEU 2.09 0.99 1 26 SER 1.80 0.91 1 32 ARG 3.17 1.59 1 33 LEU 3.86 0.29 1 34 ILE 6.40 2.66 1 35 LYS 4.88 3.21 1 36 LYS 3.68 3.10 1 38 THR 5.92 0.85 1 39 ALA 1.69 0.31 1 40 LEU 1.51 -0.98 1 43 TYR -2.82 0.44 1 44 ILE 1.03 -2.19 1 46 GLU 4.51 0.18 1 48 GLN -0.32 -0.65 1 50 GLU -1.17 -1.79 1 55 PHE -4.51 -3.59 1 56 PHE -6.49 -2.69 1 59 LEU 3.56 -2.03 1 60 ALA 0.87 0.70 1 61 VAL -4.84 -2.31 1 63 VAL 4.25 -0.03 1 64 ASN -1.45 -0.04 1 65 VAL 1.00 -0.84 1 68 ALA 1.04 0.23 1 70 GLU 3.13 -0.05 1 71 LYS -1.60 -1.53 1 72 ARG -0.41 -1.77 1 74 PHE -5.35 -0.83 1 75 TRP -3.53 1.72 1 81 LEU -7.57 -1.13 1 82 GLU -3.85 -1.67 1 83 ALA -2.05 -2.04 1 84 GLN -2.01 -0.53 1 85 GLU 5.02 0.14 1 86 LYS -1.61 -0.64 1 87 ARG -4.57 -3.32 1 88 PHE -3.93 0.24 1 89 THR -4.27 0.64 1 90 TYR -8.20 -2.59 1 91 ARG -2.73 -1.08 1 94 PHE -4.22 1.48 1 96 LEU -5.77 -3.33 1 98 ASP -2.81 2.01 1 99 LYS 3.45 0.31 1 100 GLU -0.79 -0.44 1 102 ASN -3.20 -1.09 1 104 THR -3.58 -1.07 1 105 VAL 3.35 -0.86 1 108 ILE 0.27 -0.89 1 111 THR 5.92 1.16 1 112 GLU 3.72 2.72 1 113 VAL 5.17 0.97 1 114 VAL 6.59 1.67 1 115 GLU 3.56 2.82 1 116 ARG 2.82 3.21 1 117 LEU 6.99 0.00 1 118 GLU 5.52 1.03 1 119 TYR 4.23 3.11 1 120 THR 3.08 3.62 1 121 LEU 4.04 0.27 1 122 ARG 6.07 2.63 1 123 GLU 2.23 1.76 1 124 PHE 3.16 -0.45 1 125 HIS 2.98 1.36 1 126 GLU 3.61 1.39 1 127 LYS 2.83 2.97 1 128 LEU 3.40 -0.43 1 129 ARG 5.33 2.16 1 130 ASP 4.17 2.60 1 131 LEU 3.69 2.23 1 132 LEU 6.53 2.39 1 133 ILE 5.04 4.53 1 134 SER 4.26 -0.08 1 135 MET -1.21 -2.45 1 136 GLU 4.06 -1.72 1 137 LEU -5.17 -2.69 1 138 ALA -3.23 -2.93 1 139 LEU -2.35 -2.04 1 140 GLU -4.90 -3.39 1 142 SER 1.76 0.55 1 143 ASP 3.81 -0.06 1 144 ASP -0.58 -1.45 1 145 PHE -4.23 -1.76 1 146 ASN -0.50 -0.13 1 147 ASP 3.83 -0.02 1 150 VAL -0.45 -2.65 1 151 LYS -4.46 -1.70 1 152 LEU 2.55 0.80 1 153 SER 0.81 -1.63 1 stop_ save_