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 bmr27081_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.47 _LACS_plot.Line_1_terminator_val_y_1 -3.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.85 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.17 _LACS_plot.Line_2_terminator_val_x_2 7.78 _LACS_plot.Line_2_terminator_val_y_2 5.88 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 117 PHE -4.18 0.38 0 93 GLN -1.14 -2.99 0 111 LYS 5.66 1.20 0 11 LYS 0.32 0.12 1 12 LEU -0.34 -0.04 1 13 SER -0.32 -0.22 1 14 LEU 0.54 0.39 1 15 THR 0.12 0.20 1 16 GLN -0.12 0.08 1 17 LYS -0.06 0.07 1 18 ASN 0.01 0.13 1 20 VAL -1.63 -0.76 1 21 PHE 0.44 0.17 1 22 ARG -3.65 -0.66 1 23 LEU -3.03 -2.00 1 24 LEU -3.71 -2.31 1 25 ILE -0.32 -0.12 1 26 LEU -6.54 -2.10 1 28 ARG 4.44 4.02 1 29 THR 1.30 -0.13 1 32 SER 4.41 3.06 1 33 PHE 3.43 3.27 1 34 TYR 2.88 3.28 1 35 GLN 2.79 1.91 1 36 SER -0.69 0.14 1 37 ILE 1.28 1.64 1 39 LYS 4.36 3.46 1 40 GLU 3.83 2.21 1 41 TYR -2.78 -1.59 1 42 GLN 5.96 5.25 1 43 SER 3.43 2.30 1 44 LEU 1.20 1.19 1 45 PHE -5.72 -1.33 1 46 GLU -6.13 -1.42 1 47 LEU -1.11 -1.26 1 49 LYS -0.31 0.72 1 50 TYR -2.56 -1.63 1 53 SER 3.07 1.78 1 54 ALA 0.01 0.30 1 55 THR 1.04 1.33 1 56 PHE 7.78 4.36 1 58 GLN 1.69 0.96 1 59 TYR -0.26 1.26 1 60 THR 4.11 3.42 1 62 ILE -4.11 -0.88 1 63 VAL -1.23 -1.13 1 64 ILE -3.66 -2.38 1 65 ILE -4.88 -2.89 1 66 PHE -4.07 -3.16 1 67 GLN -0.86 0.52 1 68 GLU -4.85 -2.29 1 69 LEU 4.11 2.41 1 70 ARG 4.98 3.31 1 71 GLU 1.63 1.84 1 72 MET 7.58 5.16 1 73 VAL 6.35 5.31 1 74 SER 4.60 3.66 1 75 LEU 3.60 3.10 1 76 LEU 3.70 2.98 1 77 ASN 4.22 3.13 1 78 ARG 3.64 3.76 1 79 ILE 5.01 4.72 1 80 VAL 4.92 3.98 1 81 GLN 4.09 2.99 1 82 TYR -0.45 1.35 1 83 SER -0.80 -1.06 1 84 GLN 3.52 2.87 1 86 LYS -0.36 -0.52 1 88 VAL -7.47 -3.75 1 89 ILE -3.76 0.46 1 91 ILE 0.67 -1.22 1 96 GLN -0.72 0.52 1 97 VAL 7.56 6.27 1 98 ILE 5.73 3.79 1 99 GLN 4.08 3.68 1 100 VAL 5.66 4.61 1 101 LYS 5.88 4.75 1 102 ASN 3.93 3.21 1 103 VAL 4.83 3.81 1 104 LEU 2.23 2.30 1 105 LYS 5.75 5.10 1 106 SER 4.59 3.35 1 107 PHE 3.61 3.97 1 108 LEU 3.22 2.24 1 109 ARG 4.37 3.29 1 110 ASN 0.22 0.09 1 112 LEU 2.33 2.45 1 113 VAL -6.16 -3.22 1 114 LYS -4.48 -1.44 1 115 LEU -1.45 -1.43 1 116 LEU 0.48 0.93 1 120 VAL -4.86 -1.84 1 121 VAL 0.61 -0.17 1 122 VAL 3.27 2.64 1 123 THR 0.69 -0.69 1 124 ASN 0.53 -0.91 1 125 LYS 4.39 3.32 1 126 ARG 4.71 3.46 1 127 ASP 3.60 2.71 1 128 LEU 3.66 2.76 1 129 LYS 5.17 3.90 1 130 LYS 3.98 3.14 1 131 MET 4.30 3.64 1 132 PHE 5.26 2.05 1 133 GLN 4.14 3.35 1 134 ARG 4.02 2.09 1 135 LEU 3.17 2.49 1 136 GLN 4.12 3.58 1 137 ASP 4.78 3.69 1 138 LEU 2.54 2.49 1 139 SER 3.83 2.83 1 140 LEU 1.62 1.21 1 141 GLU 0.23 0.42 1 142 TYR 0.77 1.16 1 144 GLU -1.49 -0.37 1 145 ASP 0.48 1.85 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27081_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.47 _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 -1.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.83 _LACS_plot.Line_2_terminator_val_x_2 7.78 _LACS_plot.Line_2_terminator_val_y_2 -1.90 _LACS_plot.Y_axis_chem_shift_offset -0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 117 PHE -4.18 4.56 0 93 GLN -1.14 -1.85 0 111 LYS 5.66 -4.46 0 11 LYS 0.32 -0.20 1 12 LEU -0.34 0.30 1 13 SER -0.32 0.10 1 14 LEU 0.54 -0.15 1 15 THR 0.12 0.08 1 16 GLN -0.12 0.20 1 17 LYS -0.06 0.13 1 18 ASN 0.01 0.12 1 20 VAL -1.63 0.87 1 21 PHE 0.44 -0.27 1 22 ARG -3.65 2.99 1 23 LEU -3.03 1.03 1 24 LEU -3.71 1.40 1 25 ILE -0.32 0.20 1 26 LEU -6.54 4.44 1 28 ARG 4.44 -0.42 1 29 THR 1.30 -1.43 1 32 SER 4.41 -1.35 1 33 PHE 3.43 -0.16 1 34 TYR 2.88 0.40 1 35 GLN 2.79 -0.88 1 36 SER -0.69 0.83 1 37 ILE 1.28 0.36 1 39 LYS 4.36 -0.90 1 40 GLU 3.83 -1.62 1 41 TYR -2.78 1.19 1 42 GLN 5.96 -0.71 1 43 SER 3.43 -1.13 1 44 LEU 1.20 -0.01 1 45 PHE -5.72 4.39 1 46 GLU -6.13 4.71 1 47 LEU -1.11 -0.15 1 49 LYS -0.31 1.03 1 50 TYR -2.56 0.93 1 53 SER 3.07 -1.29 1 54 ALA 0.01 0.29 1 55 THR 1.04 0.29 1 56 PHE 7.78 -3.42 1 58 GLN 1.69 -0.73 1 59 TYR -0.26 1.52 1 60 THR 4.11 -0.69 1 62 ILE -4.11 3.23 1 63 VAL -1.23 0.10 1 64 ILE -3.66 1.28 1 65 ILE -4.88 1.99 1 66 PHE -4.07 0.91 1 67 GLN -0.86 1.38 1 68 GLU -4.85 2.56 1 69 LEU 4.11 -1.70 1 70 ARG 4.98 -1.67 1 71 GLU 1.63 0.21 1 72 MET 7.58 -2.42 1 73 VAL 6.35 -1.04 1 74 SER 4.60 -0.94 1 75 LEU 3.60 -0.50 1 76 LEU 3.70 -0.72 1 77 ASN 4.22 -1.09 1 78 ARG 3.64 0.12 1 79 ILE 5.01 -0.29 1 80 VAL 4.92 -0.94 1 81 GLN 4.09 -1.10 1 82 TYR -0.45 1.80 1 83 SER -0.80 -0.26 1 84 GLN 3.52 -0.65 1 86 LYS -0.36 -0.16 1 88 VAL -7.47 3.72 1 89 ILE -3.76 4.22 1 91 ILE 0.67 -1.89 1 96 GLN -0.72 1.24 1 97 VAL 7.56 -1.29 1 98 ILE 5.73 -1.94 1 99 GLN 4.08 -0.40 1 100 VAL 5.66 -1.05 1 101 LYS 5.88 -1.13 1 102 ASN 3.93 -0.72 1 103 VAL 4.83 -1.02 1 104 LEU 2.23 0.07 1 105 LYS 5.75 -0.65 1 106 SER 4.59 -1.24 1 107 PHE 3.61 0.36 1 108 LEU 3.22 -0.98 1 109 ARG 4.37 -1.08 1 110 ASN 0.22 -0.13 1 112 LEU 2.33 0.12 1 113 VAL -6.16 2.94 1 114 LYS -4.48 3.04 1 115 LEU -1.45 0.02 1 116 LEU 0.48 0.45 1 120 VAL -4.86 3.02 1 121 VAL 0.61 -0.78 1 122 VAL 3.27 -0.63 1 123 THR 0.69 -1.38 1 124 ASN 0.53 -1.44 1 125 LYS 4.39 -1.07 1 126 ARG 4.71 -1.25 1 127 ASP 3.60 -0.89 1 128 LEU 3.66 -0.90 1 129 LYS 5.17 -1.27 1 130 LYS 3.98 -0.84 1 131 MET 4.30 -0.66 1 132 PHE 5.26 -3.21 1 133 GLN 4.14 -0.79 1 134 ARG 4.02 -1.93 1 135 LEU 3.17 -0.68 1 136 GLN 4.12 -0.54 1 137 ASP 4.78 -1.09 1 138 LEU 2.54 -0.05 1 139 SER 3.83 -1.00 1 140 LEU 1.62 -0.41 1 141 GLU 0.23 0.19 1 142 TYR 0.77 0.39 1 144 GLU -1.49 1.12 1 145 ASP 0.48 1.37 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27081_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.47 _LACS_plot.Line_1_terminator_val_y_1 0.64 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _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 7.78 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 88 VAL -7.47 1.70 0 131 MET 4.30 -1.69 0 11 LYS 0.32 -0.03 1 12 LEU -0.34 0.07 1 13 SER -0.32 0.02 1 14 LEU 0.54 0.08 1 15 THR 0.12 -0.13 1 16 GLN -0.12 0.01 1 17 LYS -0.06 -0.02 1 20 VAL -1.63 0.06 1 21 PHE 0.44 -0.36 1 22 ARG -3.65 0.12 1 23 LEU -3.03 0.70 1 24 LEU -3.71 0.09 1 25 ILE -0.32 0.53 1 26 LEU -6.54 0.37 1 28 ARG 4.44 -0.07 1 29 THR 1.30 0.40 1 32 SER 4.41 -0.21 1 33 PHE 3.43 -0.40 1 34 TYR 2.88 -0.96 1 35 GLN 2.79 -0.57 1 36 SER -0.69 -0.14 1 37 ILE 1.28 -0.95 1 39 LYS 4.36 -0.60 1 40 GLU 3.83 -0.42 1 41 TYR -2.78 0.36 1 42 GLN 5.96 -0.67 1 43 SER 3.43 0.00 1 44 LEU 1.20 -0.07 1 45 PHE -5.72 1.07 1 46 GLU -6.13 0.22 1 47 LEU -1.11 0.10 1 49 LYS -0.31 -0.15 1 50 TYR -2.56 0.18 1 53 SER 3.07 -1.11 1 54 ALA 0.01 -0.06 1 55 THR 1.04 0.02 1 56 PHE 7.78 -0.21 1 58 GLN 1.69 -0.19 1 59 TYR -0.26 -0.17 1 60 THR 4.11 -0.46 1 62 ILE -4.11 0.64 1 63 VAL -1.23 0.41 1 64 ILE -3.66 0.90 1 65 ILE -4.88 0.85 1 66 PHE -4.07 0.44 1 67 GLN -0.86 0.17 1 68 GLU -4.85 0.56 1 69 LEU 4.11 -0.55 1 70 ARG 4.98 -0.30 1 71 GLU 1.63 -0.15 1 72 MET 7.58 -1.40 1 73 VAL 6.35 -0.89 1 74 SER 4.60 -0.21 1 75 LEU 3.60 -0.24 1 76 LEU 3.70 -0.64 1 77 ASN 4.22 -0.20 1 78 ARG 3.64 -0.07 1 79 ILE 5.01 -0.53 1 80 VAL 4.92 -0.46 1 81 GLN 4.09 -0.43 1 82 TYR -0.45 0.21 1 83 SER -0.80 0.22 1 84 GLN 3.52 -0.13 1 86 LYS -0.36 -0.19 1 89 ILE -3.76 0.42 1 91 ILE 0.67 0.77 1 96 GLN -0.72 0.31 1 97 VAL 7.56 -0.71 1 98 ILE 5.73 -0.50 1 99 GLN 4.08 -0.20 1 100 VAL 5.66 -0.73 1 101 LYS 5.88 -0.54 1 102 ASN 3.93 -0.24 1 103 VAL 4.83 -0.30 1 104 LEU 2.23 -0.32 1 105 LYS 5.75 -0.36 1 106 SER 4.59 -0.33 1 107 PHE 3.61 -0.44 1 108 LEU 3.22 -0.01 1 109 ARG 4.37 -0.22 1 110 ASN 0.22 0.12 1 111 LYS 5.66 -0.25 1 112 LEU 2.33 -0.13 1 113 VAL -6.16 0.23 1 114 LYS -4.48 0.22 1 115 LEU -1.45 0.64 1 116 LEU 0.48 -0.03 1 117 PHE -4.18 -0.34 1 120 VAL -4.86 0.14 1 121 VAL 0.61 -0.04 1 122 VAL 3.27 -0.54 1 123 THR 0.69 -0.11 1 124 ASN 0.53 0.05 1 125 LYS 4.39 -0.42 1 126 ARG 4.71 -0.25 1 127 ASP 3.60 -0.18 1 128 LEU 3.66 -0.81 1 129 LYS 5.17 -0.38 1 130 LYS 3.98 -0.28 1 132 PHE 5.26 -0.62 1 133 GLN 4.14 -0.44 1 134 ARG 4.02 -0.09 1 135 LEU 3.17 -0.32 1 136 GLN 4.12 -0.41 1 137 ASP 4.78 -0.26 1 138 LEU 2.54 -0.30 1 139 SER 3.83 -1.25 1 140 LEU 1.62 -0.05 1 141 GLU 0.23 -0.09 1 142 TYR 0.77 -0.09 1 144 GLU -1.49 0.03 1 145 ASP 0.48 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27081_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.47 _LACS_plot.Line_1_terminator_val_y_1 -3.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.64 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.20 _LACS_plot.Line_2_terminator_val_x_2 7.58 _LACS_plot.Line_2_terminator_val_y_2 3.02 _LACS_plot.Y_axis_chem_shift_offset 0.30 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 145 ASP 0.48 4.55 0 88 VAL -7.47 0.17 0 11 LYS 0.32 -0.04 1 12 LEU -0.34 -0.52 1 13 SER -0.32 -0.16 1 14 LEU 0.54 -0.09 1 15 THR 0.12 -0.26 1 16 GLN -0.12 -0.62 1 17 LYS -0.06 -0.63 1 18 ASN 0.01 -0.18 1 20 VAL -1.63 -1.67 1 21 PHE 0.44 -1.76 1 22 ARG -3.65 -2.38 1 23 LEU -3.03 -2.82 1 24 LEU -3.71 -2.00 1 25 ILE -0.32 -2.19 1 26 LEU -6.54 -2.85 1 28 ARG 4.44 2.92 1 29 THR 1.30 0.55 1 32 SER 4.41 2.61 1 33 PHE 3.43 2.37 1 34 TYR 2.88 1.30 1 35 GLN 2.79 0.26 1 36 SER -0.69 -0.71 1 37 ILE 1.28 -1.27 1 39 LYS 4.36 1.50 1 40 GLU 3.83 -0.21 1 41 TYR -2.78 0.47 1 42 GLN 5.96 1.44 1 43 SER 3.43 0.73 1 44 LEU 1.20 -2.50 1 45 PHE -5.72 -0.87 1 46 GLU -6.13 -2.59 1 47 LEU -1.11 -0.72 1 49 LYS -0.31 -0.97 1 50 TYR -2.56 -0.82 1 53 SER 3.07 0.12 1 54 ALA 0.01 0.43 1 55 THR 1.04 0.52 1 58 GLN 1.69 -0.14 1 59 TYR -0.26 -0.57 1 60 THR 4.11 -0.30 1 62 ILE -4.11 -1.65 1 63 VAL -1.23 -1.88 1 64 ILE -3.66 -3.63 1 65 ILE -4.88 -1.99 1 66 PHE -4.07 -2.23 1 67 GLN -0.86 -0.12 1 68 GLU -4.85 0.28 1 69 LEU 4.11 1.65 1 70 ARG 4.98 2.59 1 71 GLU 1.63 1.37 1 72 MET 7.58 0.97 1 73 VAL 6.35 0.64 1 74 SER 4.60 2.33 1 75 LEU 3.60 1.35 1 76 LEU 3.70 0.85 1 77 ASN 4.22 3.33 1 78 ARG 3.64 1.59 1 79 ILE 5.01 1.65 1 80 VAL 4.92 0.61 1 81 GLN 4.09 1.82 1 82 TYR -0.45 0.55 1 83 SER -0.80 -2.03 1 84 GLN 3.52 1.25 1 86 LYS -0.36 -0.11 1 91 ILE 0.67 -3.02 1 93 GLN -1.14 -1.86 1 96 GLN -0.72 0.47 1 97 VAL 7.56 0.63 1 98 ILE 5.73 2.00 1 99 GLN 4.08 2.98 1 100 VAL 5.66 1.60 1 101 LYS 5.88 2.48 1 102 ASN 3.93 3.02 1 103 VAL 4.83 2.16 1 104 LEU 2.23 0.68 1 105 LYS 5.75 2.26 1 106 SER 4.59 1.72 1 107 PHE 3.61 1.98 1 108 LEU 3.22 4.08 1 109 ARG 4.37 1.01 1 110 ASN 0.22 -2.08 1 111 LYS 5.66 -0.46 1 112 LEU 2.33 0.93 1 113 VAL -6.16 -2.93 1 114 LYS -4.48 -2.13 1 115 LEU -1.45 -1.10 1 116 LEU 0.48 -1.14 1 117 PHE -4.18 -3.68 1 120 VAL -4.86 -2.41 1 121 VAL 0.61 2.33 1 122 VAL 3.27 -2.93 1 123 THR 0.69 0.20 1 124 ASN 0.53 -1.04 1 125 LYS 4.39 2.41 1 126 ARG 4.71 2.59 1 127 ASP 3.60 2.81 1 128 LEU 3.66 -0.69 1 129 LYS 5.17 2.02 1 130 LYS 3.98 2.26 1 131 MET 4.30 1.35 1 132 PHE 5.26 1.72 1 133 GLN 4.14 1.98 1 134 ARG 4.02 2.69 1 135 LEU 3.17 0.33 1 136 GLN 4.12 3.35 1 137 ASP 4.78 3.21 1 138 LEU 2.54 1.83 1 139 SER 3.83 4.77 1 140 LEU 1.62 0.93 1 141 GLU 0.23 0.00 1 142 TYR 0.77 0.27 1 144 GLU -1.49 -1.26 1 stop_ save_