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 bmr6277_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.29 _LACS_plot.Line_1_terminator_val_y_1 -2.60 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 -1.46 _LACS_plot.Line_2_terminator_val_x_2 8.52 _LACS_plot.Line_2_terminator_val_y_2 6.71 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 75 HIS -4.18 2.48 0 10 LEU 3.82 3.19 1 11 ASN 3.59 3.38 1 12 ASP 4.15 3.46 1 13 LEU 2.92 2.93 1 14 ALA 2.11 1.37 1 15 ARG 1.38 1.69 1 16 ASP -0.86 -0.33 1 19 ALA 1.89 1.42 1 20 GLN 2.91 1.87 1 22 SER -2.76 -0.93 1 23 ALA -4.33 -0.16 1 26 VAL 1.60 0.41 1 28 ASP 0.18 0.02 1 29 ASP -1.55 -1.23 1 30 MET 1.68 0.31 1 31 PHE 3.01 1.85 1 32 HIS -3.47 -0.70 1 33 TRP -7.29 -3.23 1 34 GLN -4.73 -1.72 1 35 ALA -6.96 -1.99 1 36 THR -3.16 -1.42 1 37 ILE -4.67 -1.00 1 38 MET -1.18 -1.21 1 41 ASN 2.45 2.11 1 42 ASP 2.96 0.89 1 43 SER -2.20 0.69 1 45 TYR -1.72 -2.13 1 46 GLN 2.82 2.32 1 49 VAL -0.01 0.41 1 50 PHE -3.12 -1.22 1 51 PHE -1.76 -0.63 1 52 LEU -4.05 -0.45 1 53 THR -2.91 -1.30 1 54 ILE -4.01 -1.06 1 55 HIS -4.66 -1.06 1 56 PHE -0.37 0.78 1 58 THR 4.11 3.03 1 59 ASP 0.01 -2.05 1 60 TYR 0.82 2.46 1 62 PHE 4.66 3.14 1 63 LYS -4.34 -2.03 1 66 LYS -1.04 -1.02 1 67 VAL -2.51 -1.45 1 68 ALA -4.89 -1.61 1 69 PHE 0.89 1.56 1 70 THR 2.69 1.47 1 71 THR 0.29 1.90 1 72 ARG 1.60 1.27 1 73 ILE -2.96 -0.62 1 74 TYR 0.80 0.07 1 77 ASN -1.65 1.04 1 78 ILE -4.27 -0.87 1 79 ASN -3.65 -2.43 1 80 SER 3.19 2.55 1 81 ASN 0.00 0.15 1 83 SER 1.19 0.90 1 84 ILE -4.54 -1.43 1 86 LEU -4.86 -1.14 1 87 ASP 6.19 4.50 1 88 ILE 4.66 3.81 1 89 LEU -0.42 -0.93 1 90 ARG -0.17 0.40 1 91 SER 2.92 2.81 1 92 GLN -0.21 -1.16 1 93 TRP -3.69 -1.77 1 94 SER 0.45 0.18 1 96 ALA -0.35 -0.30 1 97 LEU -7.02 -3.68 1 98 THR 2.49 -0.05 1 99 ILE 3.56 2.75 1 101 LYS 6.08 4.77 1 102 VAL 5.01 3.52 1 103 LEU 4.15 3.51 1 104 LEU 4.30 4.31 1 105 SER 6.28 5.05 1 106 ILE 4.86 3.76 1 108 SER 1.41 1.55 1 109 LEU 4.98 3.73 1 110 LEU 8.52 6.11 1 112 ASP -2.28 -2.05 1 114 ASN 1.76 1.27 1 116 ASP -0.89 -0.67 1 117 ASP -1.56 0.31 1 119 LEU -0.05 -0.76 1 120 VAL 3.71 3.18 1 122 GLU 4.21 4.09 1 123 ILE 3.58 3.19 1 124 ALA 4.56 3.80 1 125 ARG 4.98 4.24 1 126 ILE 3.00 2.61 1 127 TYR 2.35 3.03 1 128 LYS -0.39 1.32 1 129 THR -0.67 -1.24 1 130 ASP 3.64 1.48 1 131 ARG 3.65 2.82 1 132 GLU 4.22 3.56 1 133 LYS 4.70 4.28 1 134 TYR 3.84 2.74 1 135 ASN 4.62 3.97 1 136 ARG 5.05 4.26 1 137 ILE 4.95 3.30 1 138 ALA 4.58 4.13 1 139 ARG 3.87 3.35 1 140 GLU 4.71 4.18 1 141 TRP 3.74 2.82 1 143 GLN 2.30 2.66 1 144 LYS -1.66 0.12 1 145 TYR -3.59 -1.05 1 146 ALA -1.02 1.64 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6277_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.29 _LACS_plot.Line_1_terminator_val_y_1 4.69 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.54 _LACS_plot.Line_2_terminator_val_x_2 8.52 _LACS_plot.Line_2_terminator_val_y_2 -1.81 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 75 HIS -4.18 6.66 0 10 LEU 3.82 -0.63 1 11 ASN 3.59 -0.21 1 12 ASP 4.15 -0.69 1 13 LEU 2.92 0.01 1 14 ALA 2.11 -0.74 1 15 ARG 1.38 0.31 1 16 ASP -0.86 0.53 1 19 ALA 1.89 -0.47 1 20 GLN 2.91 -1.04 1 22 SER -2.76 1.83 1 23 ALA -4.33 4.17 1 26 VAL 1.60 -1.19 1 28 ASP 0.18 -0.16 1 29 ASP -1.55 0.32 1 30 MET 1.68 -1.37 1 31 PHE 3.01 -1.16 1 32 HIS -3.47 2.77 1 33 TRP -7.29 4.06 1 34 GLN -4.73 3.01 1 35 ALA -6.96 4.97 1 36 THR -3.16 1.74 1 37 ILE -4.67 3.67 1 38 MET -1.18 -0.03 1 41 ASN 2.45 -0.34 1 42 ASP 2.96 -2.07 1 43 SER -2.20 2.89 1 45 TYR -1.72 -0.41 1 46 GLN 2.82 -0.50 1 49 VAL -0.01 0.42 1 50 PHE -3.12 1.90 1 51 PHE -1.76 1.13 1 52 LEU -4.05 3.60 1 53 THR -2.91 1.61 1 54 ILE -4.01 2.95 1 55 HIS -4.66 3.60 1 56 PHE -0.37 1.15 1 58 THR 4.11 -1.08 1 59 ASP 0.01 -2.06 1 60 TYR 0.82 1.64 1 62 PHE 4.66 -1.52 1 63 LYS -4.34 2.31 1 66 LYS -1.04 0.02 1 67 VAL -2.51 1.06 1 68 ALA -4.89 3.28 1 69 PHE 0.89 0.67 1 70 THR 2.69 -1.22 1 71 THR 0.29 1.61 1 72 ARG 1.60 -0.33 1 73 ILE -2.96 2.34 1 74 TYR 0.80 -0.73 1 77 ASN -1.65 2.69 1 78 ILE -4.27 3.40 1 79 ASN -3.65 1.22 1 80 SER 3.19 -0.64 1 81 ASN 0.00 0.15 1 83 SER 1.19 -0.29 1 84 ILE -4.54 3.11 1 86 LEU -4.86 3.72 1 87 ASP 6.19 -1.69 1 88 ILE 4.66 -0.85 1 89 LEU -0.42 -0.51 1 90 ARG -0.17 0.57 1 91 SER 2.92 -0.11 1 92 GLN -0.21 -0.95 1 93 TRP -3.69 1.92 1 94 SER 0.45 -0.27 1 96 ALA -0.35 0.05 1 97 LEU -7.02 3.34 1 98 THR 2.49 -2.54 1 99 ILE 3.56 -0.81 1 101 LYS 6.08 -1.31 1 102 VAL 5.01 -1.49 1 103 LEU 4.15 -0.64 1 104 LEU 4.30 0.01 1 105 SER 6.28 -1.23 1 106 ILE 4.86 -1.10 1 108 SER 1.41 0.14 1 109 LEU 4.98 -1.25 1 110 LEU 8.52 -2.41 1 112 ASP -2.28 0.23 1 114 ASN 1.76 -0.49 1 116 ASP -0.89 0.22 1 117 ASP -1.56 1.87 1 119 LEU -0.05 -0.71 1 120 VAL 3.71 -0.53 1 122 GLU 4.21 -0.12 1 123 ILE 3.58 -0.39 1 124 ALA 4.56 -0.76 1 125 ARG 4.98 -0.74 1 126 ILE 3.00 -0.39 1 127 TYR 2.35 0.68 1 128 LYS -0.39 1.71 1 129 THR -0.67 -0.57 1 130 ASP 3.64 -2.16 1 131 ARG 3.65 -0.83 1 132 GLU 4.22 -0.66 1 133 LYS 4.70 -0.42 1 134 TYR 3.84 -1.10 1 135 ASN 4.62 -0.65 1 136 ARG 5.05 -0.79 1 137 ILE 4.95 -1.65 1 138 ALA 4.58 -0.45 1 139 ARG 3.87 -0.52 1 140 GLU 4.71 -0.53 1 141 TRP 3.74 -0.92 1 143 GLN 2.30 0.36 1 144 LYS -1.66 1.78 1 145 TYR -3.59 2.54 1 146 ALA -1.02 2.66 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6277_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.29 _LACS_plot.Line_1_terminator_val_y_1 0.99 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.39 _LACS_plot.Line_2_terminator_val_x_2 8.52 _LACS_plot.Line_2_terminator_val_y_2 -0.78 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 110 LEU 8.52 0.24 0 10 LEU 3.82 -0.09 1 11 ASN 3.59 -0.42 1 12 ASP 4.15 -0.14 1 13 LEU 2.92 -0.28 1 14 ALA 2.11 -0.14 1 15 ARG 1.38 -0.10 1 16 ASP -0.86 0.16 1 19 ALA 1.89 -0.11 1 20 GLN 2.91 -0.23 1 22 SER -2.76 0.20 1 23 ALA -4.33 1.05 1 26 VAL 1.60 -0.17 1 28 ASP 0.18 -0.05 1 29 ASP -1.55 0.27 1 30 MET 1.68 -0.08 1 31 PHE 3.01 -0.20 1 32 HIS -3.47 0.84 1 33 TRP -7.29 0.97 1 34 GLN -4.73 0.92 1 35 ALA -6.96 1.22 1 36 THR -3.16 0.77 1 37 ILE -4.67 0.56 1 38 MET -1.18 0.62 1 41 ASN 2.45 -0.28 1 42 ASP 2.96 -0.04 1 43 SER -2.20 0.47 1 45 TYR -1.72 0.83 1 46 GLN 2.82 -0.57 1 49 VAL -0.01 0.26 1 50 PHE -3.12 0.12 1 51 PHE -1.76 0.73 1 52 LEU -4.05 1.04 1 53 THR -2.91 0.62 1 54 ILE -4.01 0.50 1 55 HIS -4.66 0.76 1 56 PHE -0.37 -0.59 1 58 THR 4.11 -0.37 1 59 ASP 0.01 0.34 1 60 TYR 0.82 -0.20 1 62 PHE 4.66 -0.22 1 63 LYS -4.34 -0.14 1 66 LYS -1.04 0.18 1 67 VAL -2.51 0.77 1 68 ALA -4.89 0.69 1 69 PHE 0.89 0.18 1 70 THR 2.69 0.15 1 71 THR 0.29 0.16 1 72 ARG 1.60 -0.15 1 73 ILE -2.96 0.63 1 74 TYR 0.80 -0.60 1 75 HIS -4.18 -0.13 1 77 ASN -1.65 -0.54 1 78 ILE -4.27 1.10 1 79 ASN -3.65 0.22 1 81 ASN 0.00 0.24 1 83 SER 1.19 0.12 1 84 ILE -4.54 0.46 1 86 LEU -4.86 0.38 1 87 ASP 6.19 -0.18 1 88 ILE 4.66 -0.32 1 89 LEU -0.42 0.37 1 90 ARG -0.17 0.31 1 91 SER 2.92 0.05 1 92 GLN -0.21 0.30 1 93 TRP -3.69 -0.24 1 94 SER 0.45 -0.19 1 96 ALA -0.35 -0.30 1 97 LEU -7.02 0.82 1 98 THR 2.49 -0.05 1 99 ILE 3.56 -0.18 1 101 LYS 6.08 -0.53 1 102 VAL 5.01 -0.41 1 103 LEU 4.15 -0.22 1 104 LEU 4.30 -0.10 1 105 SER 6.28 -0.59 1 106 ILE 4.86 -0.16 1 108 SER 1.41 -0.15 1 109 LEU 4.98 -0.40 1 112 ASP -2.28 0.34 1 114 ASN 1.76 -0.01 1 116 ASP -0.89 0.03 1 117 ASP -1.56 0.40 1 119 LEU -0.05 0.28 1 120 VAL 3.71 -0.14 1 122 GLU 4.21 -0.43 1 123 ILE 3.58 -0.60 1 124 ALA 4.56 -0.25 1 125 ARG 4.98 -0.63 1 126 ILE 3.00 -1.17 1 127 TYR 2.35 -0.31 1 128 LYS -0.39 0.09 1 129 THR -0.67 0.14 1 130 ASP 3.64 0.43 1 131 ARG 3.65 -0.17 1 132 GLU 4.22 -0.36 1 133 LYS 4.70 -0.05 1 134 TYR 3.84 -0.65 1 135 ASN 4.62 -0.35 1 136 ARG 5.05 -0.44 1 137 ILE 4.95 -0.37 1 138 ALA 4.58 -0.35 1 139 ARG 3.87 -0.21 1 140 GLU 4.71 -0.22 1 141 TRP 3.74 -0.11 1 143 GLN 2.30 -0.39 1 144 LYS -1.66 0.53 1 145 TYR -3.59 0.63 1 146 ALA -1.02 0.10 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6277_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.29 _LACS_plot.Line_1_terminator_val_y_1 -2.50 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.54 _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 6.28 _LACS_plot.Line_2_terminator_val_y_2 2.11 _LACS_plot.Y_axis_chem_shift_offset 0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 97 LEU -7.02 1.72 0 10 LEU 3.82 2.71 1 11 ASN 3.59 3.06 1 12 ASP 4.15 2.47 1 13 LEU 2.92 0.53 1 14 ALA 2.11 1.90 1 15 ARG 1.38 0.10 1 19 ALA 1.89 0.45 1 20 GLN 2.91 -1.04 1 22 SER -2.76 -2.02 1 23 ALA -4.33 -3.02 1 26 VAL 1.60 0.43 1 28 ASP 0.18 -1.04 1 29 ASP -1.55 0.02 1 30 MET 1.68 -0.52 1 31 PHE 3.01 -0.48 1 32 HIS -3.47 -1.62 1 33 TRP -7.29 -0.24 1 34 GLN -4.73 -1.72 1 35 ALA -6.96 -2.27 1 36 THR -3.16 -0.83 1 37 ILE -4.67 -0.84 1 38 MET -1.18 0.68 1 41 ASN 2.45 0.24 1 42 ASP 2.96 -2.23 1 45 TYR -1.72 -0.48 1 46 GLN 2.82 0.31 1 49 VAL -0.01 -3.02 1 50 PHE -3.12 -1.67 1 51 PHE -1.76 0.19 1 52 LEU -4.05 -0.74 1 53 THR -2.91 -1.50 1 54 ILE -4.01 -2.49 1 55 HIS -4.66 1.49 1 58 THR 4.11 -1.06 1 59 ASP 0.01 0.01 1 62 PHE 4.66 -0.35 1 66 LYS -1.04 -0.73 1 67 VAL -2.51 -2.96 1 68 ALA -4.89 -0.80 1 69 PHE 0.89 1.49 1 70 THR 2.69 0.74 1 71 THR 0.29 -0.88 1 72 ARG 1.60 -1.24 1 73 ILE -2.96 -5.35 1 74 TYR 0.80 -2.59 1 77 ASN -1.65 -4.22 1 78 ILE -4.27 -1.88 1 80 SER 3.19 0.66 1 81 ASN 0.00 0.27 1 83 SER 1.19 -2.50 1 84 ILE -4.54 -0.56 1 86 LEU -4.86 -0.66 1 87 ASP 6.19 4.01 1 88 ILE 4.66 -3.02 1 89 LEU -0.42 -0.78 1 90 ARG -0.17 0.20 1 91 SER 2.92 0.75 1 92 GLN -0.21 -1.37 1 93 TRP 0.45 1.17 1 96 ALA -0.35 -4.50 1 98 THR 2.49 1.58 1 99 ILE 3.56 3.63 1 101 LYS 6.08 1.22 1 102 VAL 5.01 1.74 1 103 LEU 4.15 2.80 1 104 LEU 4.30 2.70 1 105 SER 6.28 0.80 1 106 ILE 4.86 1.62 1 108 SER 1.41 2.37 1 109 LEU 4.98 -0.16 1 110 LEU 1.76 -0.96 1 116 ASP -1.56 -0.35 1 119 LEU 3.71 1.90 1 122 GLU 4.21 1.66 1 123 ILE 3.58 0.13 1 124 ALA 4.56 2.74 1 125 ARG 4.98 0.34 1 126 ILE 3.00 0.78 1 127 TYR 2.35 1.91 1 128 LYS -0.39 0.18 1 129 THR -0.67 -2.14 1 130 ASP 3.64 1.78 1 131 ARG 3.65 2.63 1 132 GLU 4.22 0.89 1 133 LYS 4.70 -0.18 1 134 TYR 3.84 2.38 1 135 ASN 4.62 3.59 1 136 ARG 5.05 1.25 1 137 ILE 4.58 2.48 1 139 ARG 3.87 3.84 1 140 GLU 4.71 4.88 1 141 TRP 3.74 1.56 1 143 GLN 2.30 1.93 1 144 LYS -1.66 0.41 1 145 TYR -3.59 -2.60 1 stop_ save_