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 bmr7105_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -3.60 _LACS_plot.Line_1_terminator_val_y_1 -1.65 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.44 _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 8.68 _LACS_plot.Line_2_terminator_val_y_2 6.75 _LACS_plot.Y_axis_chem_shift_offset -0.40 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 13 ILE 4.60 0.10 0 10 ASN -1.10 -1.64 1 11 ALA 3.25 3.66 1 12 PHE 3.51 2.08 1 14 VAL 5.54 4.75 1 15 TRP 3.67 3.39 1 16 SER 3.66 2.92 1 17 ARG 5.80 4.71 1 18 ASP 2.17 2.08 1 19 GLN 3.01 1.66 1 20 ARG 4.25 3.98 1 21 ARG 4.20 3.12 1 22 LYS 3.84 3.50 1 23 MET 3.71 3.73 1 24 ALA 2.90 2.35 1 25 LEU 2.33 2.16 1 26 GLU 0.28 1.17 1 27 ASN -2.17 -0.30 1 29 ARG 1.01 -0.03 1 30 MET -0.56 1.26 1 31 ARG -0.43 -0.02 1 32 ASN 4.40 4.76 1 33 SER 6.08 3.40 1 34 GLU 2.09 2.07 1 35 ILE 6.57 5.02 1 36 SER 5.63 4.44 1 37 LYS 4.39 4.10 1 38 GLN 4.17 3.05 1 39 LEU 3.77 3.08 1 41 TYR 3.44 2.65 1 42 GLN 3.63 3.49 1 43 TRP 2.16 2.49 1 44 LYS 3.21 2.40 1 45 MET -0.59 -0.23 1 46 LEU -0.21 0.11 1 47 THR -2.18 -0.57 1 48 GLU 4.47 3.85 1 49 ALA 3.09 2.51 1 50 GLU 0.30 1.89 1 51 LYS 1.87 2.80 1 52 TRP 8.39 7.01 1 54 PHE 5.38 4.03 1 55 PHE 5.80 5.03 1 56 GLN 4.58 3.48 1 57 GLU 3.14 2.64 1 58 ALA 4.38 3.13 1 59 GLN 4.76 3.66 1 60 LYS 4.48 3.63 1 61 LEU 3.65 2.96 1 62 GLN 4.94 3.86 1 63 ALA 4.10 3.03 1 64 MET 3.04 3.41 1 65 HIS 3.47 6.26 1 66 ARG 2.95 2.38 1 67 GLU 1.63 1.99 1 68 LYS 1.79 2.00 1 69 TYR -1.34 -1.65 1 71 ASN -0.21 -0.34 1 72 TYR 1.50 1.93 1 73 LYS -3.32 -1.34 1 75 ARG -2.71 -1.71 1 76 LYS -0.08 0.63 1 78 GLU -0.61 0.27 1 79 THR 0.25 0.46 1 80 LYS 0.28 0.32 1 81 LYS 0.07 -0.22 1 82 LYS -0.70 -0.07 1 83 PHE -0.32 0.04 1 84 LYS -0.72 -0.51 1 85 ASP -2.10 -0.82 1 87 ASN -0.33 0.11 1 88 ALA 0.76 0.15 1 90 LYS -1.20 -0.51 1 91 ARG 1.61 0.72 1 94 SER -3.60 -1.79 1 95 ALA 4.36 3.81 1 96 PHE 2.37 1.45 1 97 PHE 5.38 3.48 1 98 LEU 3.51 3.27 1 99 PHE 4.28 3.88 1 101 SER 4.44 3.51 1 102 GLU 1.25 1.64 1 103 TYR 2.92 3.89 1 104 ARG 3.14 2.79 1 106 LYS 3.92 2.71 1 107 ILE 3.69 2.86 1 108 LYS -0.38 0.99 1 110 GLU -1.88 -0.09 1 111 HIS -0.74 0.07 1 114 LEU -2.00 -0.70 1 115 SER 4.55 3.52 1 116 ILE 3.03 3.09 1 118 ASP 6.32 5.19 1 119 VAL 3.77 3.20 1 120 ALA 3.82 3.53 1 121 LYS 3.61 2.78 1 122 LYS 4.01 3.32 1 123 LEU 2.88 3.03 1 125 GLU 2.66 3.99 1 126 MET 0.93 2.12 1 127 TRP 3.02 2.67 1 128 ASN -0.70 0.14 1 129 ASN 2.93 2.17 1 130 THR -0.44 -0.25 1 131 ALA 4.52 3.86 1 132 ALA 4.01 3.16 1 133 ASP 1.04 1.67 1 134 ASP 1.87 2.97 1 135 LYS 8.69 7.19 1 136 GLN 4.08 3.76 1 138 TYR 3.25 3.13 1 139 GLU 4.13 3.33 1 140 LYS 3.91 3.60 1 141 LYS 4.52 3.43 1 142 ALA 3.72 3.00 1 143 ALA 3.73 2.62 1 144 LYS 3.42 2.73 1 145 LEU 4.71 3.94 1 146 LYS 3.16 3.09 1 147 GLU 3.57 3.25 1 148 LYS 3.66 3.47 1 149 TYR 3.60 3.01 1 150 GLU 3.70 3.21 1 151 LYS 4.31 3.29 1 152 ASP 2.56 1.02 1 153 ILE 3.52 2.54 1 154 ALA 2.23 1.75 1 155 ALA 2.10 2.52 1 156 TYR 0.96 1.02 1 157 ARG 0.11 0.22 1 158 ALA 1.18 1.85 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7105_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -3.60 _LACS_plot.Line_1_terminator_val_y_1 1.95 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.56 _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 8.68 _LACS_plot.Line_2_terminator_val_y_2 -1.93 _LACS_plot.Y_axis_chem_shift_offset -0.40 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 13 ILE 4.60 -4.50 0 10 ASN -1.10 -0.54 1 11 ALA 3.25 0.41 1 12 PHE 3.51 -1.43 1 14 VAL 5.54 -0.79 1 15 TRP 3.67 -0.28 1 16 SER 3.66 -0.74 1 17 ARG 5.80 -1.09 1 18 ASP 2.17 -0.09 1 19 GLN 3.01 -1.35 1 20 ARG 4.25 -0.27 1 21 ARG 4.20 -1.08 1 22 LYS 3.84 -0.34 1 23 MET 3.71 0.02 1 24 ALA 2.90 -0.55 1 25 LEU 2.33 -0.17 1 26 GLU 0.28 0.89 1 27 ASN -2.17 1.87 1 29 ARG 1.01 -1.04 1 30 MET -0.56 1.82 1 31 ARG -0.43 0.41 1 32 ASN 4.40 0.36 1 33 SER 6.08 -2.68 1 34 GLU 2.09 -0.02 1 35 ILE 6.57 -1.55 1 36 SER 5.63 -1.19 1 37 LYS 4.39 -0.29 1 38 GLN 4.17 -1.12 1 39 LEU 3.77 -0.69 1 41 TYR 3.44 -0.79 1 42 GLN 3.63 -0.14 1 43 TRP 2.16 0.33 1 44 LYS 3.21 -0.81 1 45 MET -0.59 0.36 1 46 LEU -0.21 0.32 1 47 THR -2.18 1.61 1 48 GLU 4.47 -0.62 1 49 ALA 3.09 -0.58 1 50 GLU 0.30 1.59 1 51 LYS 1.87 0.93 1 52 TRP 8.39 -1.38 1 54 PHE 5.38 -1.35 1 55 PHE 5.80 -0.77 1 56 GLN 4.58 -1.10 1 57 GLU 3.14 -0.50 1 58 ALA 4.38 -1.25 1 59 GLN 4.76 -1.10 1 60 LYS 4.48 -0.85 1 61 LEU 3.65 -0.69 1 62 GLN 4.94 -1.08 1 63 ALA 4.10 -1.07 1 64 MET 3.04 0.37 1 65 HIS 3.47 2.79 1 66 ARG 2.95 -0.57 1 67 GLU 1.63 0.36 1 68 LYS 1.79 0.21 1 69 TYR -1.34 -0.31 1 71 ASN -0.21 -0.13 1 72 TYR 1.50 0.43 1 73 LYS -3.32 1.98 1 75 ARG -2.71 1.00 1 76 LYS -0.08 0.71 1 78 GLU -0.61 0.88 1 79 THR 0.25 0.21 1 80 LYS 0.28 0.04 1 81 LYS 0.07 -0.29 1 82 LYS -0.70 0.63 1 83 PHE -0.32 0.36 1 84 LYS -0.72 0.21 1 85 ASP -2.10 1.28 1 87 ASN -0.33 0.44 1 88 ALA 0.76 -0.61 1 90 LYS -1.20 0.69 1 91 ARG 1.61 -0.89 1 94 SER -3.60 1.81 1 95 ALA 4.36 -0.55 1 96 PHE 2.37 -0.92 1 97 PHE 5.38 -1.90 1 98 LEU 3.51 -0.24 1 99 PHE 4.28 -0.40 1 101 SER 4.44 -0.93 1 102 GLU 1.25 0.39 1 103 TYR 2.92 0.97 1 104 ARG 3.14 -0.35 1 106 LYS 3.92 -1.21 1 107 ILE 3.69 -0.83 1 108 LYS -0.38 1.37 1 110 GLU -1.88 1.79 1 111 HIS -0.74 0.81 1 114 LEU -2.00 1.30 1 115 SER 4.55 -1.03 1 116 ILE 3.03 0.06 1 118 ASP 6.32 -1.13 1 119 VAL 3.77 -0.57 1 120 ALA 3.82 -0.29 1 121 LYS 3.61 -0.83 1 122 LYS 4.01 -0.69 1 123 LEU 2.88 0.15 1 125 GLU 2.66 1.33 1 126 MET 0.93 1.19 1 127 TRP 3.02 -0.35 1 128 ASN -0.70 0.84 1 129 ASN 2.93 -0.76 1 130 THR -0.44 0.19 1 131 ALA 4.52 -0.66 1 132 ALA 4.01 -0.85 1 133 ASP 1.04 0.63 1 134 ASP 1.87 1.10 1 135 LYS 8.69 -1.50 1 136 GLN 4.08 -0.32 1 138 TYR 3.25 -0.12 1 139 GLU 4.13 -0.80 1 140 LYS 3.91 -0.31 1 141 LYS 4.52 -1.09 1 142 ALA 3.72 -0.72 1 143 ALA 3.73 -1.11 1 144 LYS 3.42 -0.69 1 145 LEU 4.71 -0.77 1 146 LYS 3.16 -0.07 1 147 GLU 3.57 -0.32 1 148 LYS 3.66 -0.19 1 149 TYR 3.60 -0.59 1 150 GLU 3.70 -0.49 1 151 LYS 4.31 -1.02 1 152 ASP 2.56 -1.54 1 153 ILE 3.52 -0.98 1 154 ALA 2.23 -0.48 1 155 ALA 2.10 0.42 1 156 TYR 0.96 0.06 1 157 ARG 0.11 0.11 1 158 ALA 1.18 0.67 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr7105_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -3.60 _LACS_plot.Line_1_terminator_val_y_1 0.08 _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 -0.01 _LACS_plot.Line_2_terminator_val_x_2 8.68 _LACS_plot.Line_2_terminator_val_y_2 -0.50 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 PHE 2.37 -1.86 0 12 PHE 3.51 -1.98 0 10 ASN -1.10 -0.15 1 11 ALA 3.25 -0.80 1 13 ILE 4.60 -1.37 1 14 VAL 5.54 -0.74 1 15 TRP 3.67 -1.02 1 16 SER 3.66 -1.65 1 17 ARG 5.80 -0.60 1 18 ASP 2.17 -0.14 1 19 GLN 3.01 -0.63 1 20 ARG 4.25 -0.80 1 21 ARG 4.20 -0.34 1 22 LYS 3.84 -0.40 1 23 MET 3.71 -0.41 1 24 ALA 2.90 -0.28 1 25 LEU 2.33 -0.27 1 26 GLU 0.28 -0.23 1 27 ASN -2.17 0.13 1 29 ARG 1.01 0.00 1 30 MET -0.56 -0.20 1 31 ARG -0.43 0.11 1 33 SER 6.08 -0.44 1 34 GLU 2.09 -0.21 1 35 ILE 6.57 -0.50 1 36 SER 5.63 0.00 1 37 LYS 4.39 -0.45 1 38 GLN 4.17 -0.12 1 39 LEU 3.77 0.08 1 41 TYR 3.44 -0.21 1 42 GLN 3.63 -0.38 1 43 TRP 2.16 -1.11 1 44 LYS 3.21 -0.49 1 45 MET -0.59 -0.12 1 46 LEU -0.21 -0.08 1 47 THR -2.18 -0.06 1 48 GLU 4.47 -0.53 1 49 ALA 3.09 -0.18 1 50 GLU 0.30 -0.22 1 51 LYS 1.87 -0.14 1 52 TRP 8.39 -0.09 1 54 PHE 5.38 -0.38 1 55 PHE 5.80 -0.29 1 56 GLN 4.58 -0.58 1 57 GLU 3.14 -0.18 1 58 ALA 4.38 -0.24 1 59 GLN 4.76 -0.17 1 60 LYS 4.48 -0.18 1 61 LEU 3.65 -0.16 1 62 GLN 4.94 -0.38 1 63 ALA 4.10 -0.08 1 64 MET 3.04 -0.28 1 65 HIS 3.47 -0.60 1 66 ARG 2.95 -0.10 1 67 GLU 1.63 -0.33 1 68 LYS 1.79 -0.51 1 69 TYR -1.34 0.23 1 71 ASN -0.21 0.17 1 72 TYR 1.50 -0.26 1 73 LYS -3.32 -0.14 1 75 ARG -2.71 -0.05 1 76 LYS -0.08 -0.29 1 78 GLU -0.61 -0.07 1 79 THR 0.25 0.09 1 80 LYS 0.28 0.06 1 81 LYS 0.07 -0.01 1 82 LYS -0.70 0.04 1 83 PHE -0.32 0.03 1 84 LYS -0.72 -0.03 1 85 ASP -2.10 -0.11 1 87 ASN -0.33 0.01 1 88 ALA 0.76 -1.09 1 90 LYS -1.20 0.03 1 91 ARG 1.61 -1.24 1 94 SER -3.60 -0.03 1 95 ALA 4.36 -0.31 1 97 PHE 5.38 -0.88 1 98 LEU 3.51 -0.24 1 99 PHE 4.28 -0.87 1 101 SER 4.44 -0.53 1 102 GLU 1.25 -0.28 1 103 TYR 2.92 -0.43 1 104 ARG 3.14 -0.22 1 106 LYS 3.92 -0.16 1 107 ILE 3.69 -0.35 1 108 LYS -0.38 -0.27 1 110 GLU -1.88 -0.03 1 111 HIS -0.74 0.08 1 114 LEU -2.00 -0.02 1 115 SER 4.55 -0.38 1 116 ILE 3.03 -0.10 1 118 ASP 6.32 -0.71 1 119 VAL 3.77 -0.14 1 120 ALA 3.82 -0.27 1 121 LYS 3.61 -0.14 1 122 LYS 4.01 -0.05 1 123 LEU 2.88 -0.27 1 125 GLU 2.66 -0.40 1 126 MET 0.93 -0.78 1 127 TRP 3.02 -0.45 1 128 ASN -0.70 0.00 1 129 ASN 2.93 -0.23 1 130 THR -0.44 -0.18 1 131 ALA 4.52 -0.53 1 132 ALA 4.01 -0.25 1 133 ASP 1.04 0.18 1 134 ASP 1.87 0.12 1 135 LYS 8.69 -0.26 1 136 GLN 4.08 -0.32 1 138 TYR 3.25 -0.10 1 139 GLU 4.13 -0.14 1 140 LYS 3.91 -0.19 1 141 LYS 4.52 -0.32 1 142 ALA 3.72 -0.03 1 143 ALA 3.73 -0.07 1 144 LYS 3.42 -0.09 1 145 LEU 4.71 -0.20 1 146 LYS 3.16 -0.17 1 147 GLU 3.57 -0.21 1 148 LYS 3.66 -0.13 1 149 TYR 3.60 -0.58 1 150 GLU 3.70 -0.18 1 151 LYS 4.31 -0.16 1 152 ASP 2.56 -0.14 1 153 ILE 3.52 -0.16 1 154 ALA 2.23 -0.09 1 155 ALA 2.10 -0.26 1 156 TYR 0.96 -0.22 1 157 ARG 0.11 -0.01 1 158 ALA 1.18 -0.20 1 stop_ save_