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 bmr34247_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.50 _LACS_plot.Line_1_terminator_val_y_1 -2.96 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.25 _LACS_plot.Line_2_terminator_val_x_2 9.97 _LACS_plot.Line_2_terminator_val_y_2 7.29 _LACS_plot.Y_axis_chem_shift_offset -0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 113 ILE 3.96 -0.05 0 127 LEU 5.01 0.47 0 10 ILE -0.67 -0.32 1 11 ASP -0.23 -0.30 1 12 GLU 1.17 0.88 1 13 THR 0.39 0.23 1 14 ALA -0.01 -0.05 1 15 PHE -4.15 -1.43 1 16 VAL -3.79 -2.18 1 17 GLN -5.78 -2.35 1 18 ALA -0.78 -0.35 1 19 GLU -1.69 -0.37 1 20 GLN 3.24 2.11 1 22 LYS -1.62 -1.35 1 23 THR 1.02 0.42 1 24 ASN -0.97 -0.54 1 25 LEU -0.71 0.15 1 26 MET 0.86 1.49 1 27 PHE 1.83 0.72 1 28 SER 1.53 1.30 1 29 ASP -2.72 -0.97 1 30 GLU 3.50 3.10 1 31 LYS 4.64 3.02 1 32 GLN 2.20 2.98 1 33 GLN 5.05 2.75 1 34 ALA 3.84 2.66 1 35 ARG 2.30 2.38 1 36 PHE 4.78 3.85 1 37 GLU 5.21 3.91 1 38 LEU 3.28 2.29 1 40 VAL 7.54 5.54 1 41 SER 3.87 2.77 1 42 MET -2.13 1.15 1 43 VAL 5.83 4.52 1 44 ILE 5.88 2.76 1 45 TYR 4.27 3.46 1 46 LYS 1.53 0.40 1 47 TRP -2.17 -2.84 1 48 ASP 4.87 4.32 1 49 ALA 3.40 2.01 1 50 LEU 1.69 0.41 1 51 ASP 2.62 4.23 1 52 VAL 4.57 3.53 1 53 ALA 2.53 1.69 1 54 VAL 5.63 4.29 1 55 GLU 2.92 2.28 1 56 ASN 0.25 -0.01 1 57 SER 3.44 0.60 1 58 TRP 0.74 -0.08 1 62 ASP 0.97 -1.08 1 63 SER 5.20 6.49 1 64 ALA 5.07 3.39 1 65 GLU 4.42 3.12 1 66 LYS 2.92 3.38 1 67 ARG 5.55 3.85 1 68 ASP 4.94 3.41 1 69 TRP 3.95 2.49 1 70 ILE 6.43 5.01 1 71 THR 8.77 5.89 1 73 ILE 4.87 3.52 1 74 VAL 6.76 4.75 1 75 VAL 6.92 5.74 1 76 ASP 4.12 3.04 1 77 LEU 3.28 3.23 1 78 PHE 3.24 2.57 1 79 LYS 2.61 2.55 1 80 ASN -1.83 0.81 1 81 GLU -4.09 -2.20 1 82 LYS -0.08 0.60 1 83 VAL -3.23 -1.21 1 84 VAL -2.51 -0.26 1 85 ASP -6.50 -3.53 1 86 ALA 3.93 2.86 1 87 ALA 3.85 2.62 1 88 LEU 3.21 2.60 1 89 ILE 6.03 5.07 1 90 GLU 4.15 3.78 1 91 GLU 3.38 3.09 1 92 THR 6.76 5.51 1 93 LEU 4.18 3.22 1 94 LEU 4.20 3.22 1 95 TYR 4.61 2.81 1 96 ALA 3.27 2.91 1 97 MET 4.84 2.36 1 98 ILE 4.42 4.15 1 99 ASP 2.94 3.46 1 100 GLU -0.64 -0.23 1 101 PHE -0.60 0.29 1 102 GLU 2.70 0.76 1 103 THR -1.96 0.23 1 104 ASN -1.27 -1.09 1 105 VAL 2.41 1.11 1 106 GLU -1.49 -0.45 1 107 ASP -0.72 -0.84 1 108 ASP 3.00 1.56 1 109 SER 2.67 2.50 1 110 ALA 0.98 1.08 1 111 LEU 9.97 6.39 1 114 ALA 2.24 3.19 1 115 VAL 5.54 4.68 1 116 GLU 3.26 2.58 1 117 VAL 7.88 5.87 1 118 ILE 5.88 2.96 1 119 ASN 4.65 3.31 1 120 ILE 4.39 2.21 1 121 TYR 7.87 6.09 1 122 ASN 4.04 3.30 1 123 ASP 5.85 3.88 1 125 PHE 4.26 3.81 1 126 ASN -0.20 0.29 1 128 ASN -1.36 -2.09 1 129 TYR -1.66 -2.95 1 130 ASN 4.68 4.29 1 131 LYS 4.61 3.16 1 132 VAL 6.55 5.61 1 133 GLU 3.89 3.10 1 134 LYS 3.73 3.38 1 135 LEU 2.44 2.55 1 136 TYR 2.77 2.46 1 137 LEU 4.11 3.30 1 138 GLU 3.16 2.80 1 139 TRP 3.96 4.24 1 140 GLN 3.60 3.61 1 141 GLU 3.10 2.25 1 142 LYS 4.05 2.90 1 143 GLN 3.08 1.60 1 144 ARG 3.29 2.77 1 145 THR 2.12 1.58 1 146 LYS 1.88 1.36 1 147 LYS 1.15 0.69 1 148 SER 0.47 0.40 1 149 LYS 0.44 0.14 1 150 ARG 0.36 0.27 1 151 VAL 0.06 -0.01 1 152 VAL -0.19 -0.21 1 153 HIS -0.61 0.58 1 154 ILE -0.26 -0.24 1 155 GLU -0.78 -0.23 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34247_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.50 _LACS_plot.Line_1_terminator_val_y_1 3.54 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.94 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.75 _LACS_plot.Line_2_terminator_val_x_2 9.97 _LACS_plot.Line_2_terminator_val_y_2 -2.68 _LACS_plot.Y_axis_chem_shift_offset -0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 113 ILE 3.96 -4.01 0 127 LEU 5.01 -4.54 0 10 ILE -0.67 0.35 1 11 ASP -0.23 -0.07 1 12 GLU 1.17 -0.29 1 13 THR 0.39 -0.16 1 14 ALA -0.01 -0.04 1 15 PHE -4.15 2.72 1 16 VAL -3.79 1.61 1 17 GLN -5.78 3.43 1 18 ALA -0.78 0.43 1 19 GLU -1.69 1.32 1 20 GLN 3.24 -1.13 1 22 LYS -1.62 0.27 1 23 THR 1.02 -0.60 1 24 ASN -0.97 0.43 1 25 LEU -0.71 0.86 1 26 MET 0.86 0.63 1 27 PHE 1.83 -1.11 1 28 SER 1.53 -0.23 1 29 ASP -2.72 1.75 1 30 GLU 3.50 -0.40 1 31 LYS 4.64 -1.62 1 32 GLN 2.20 0.78 1 33 GLN 5.05 -2.30 1 34 ALA 3.84 -1.18 1 35 ARG 2.30 0.08 1 36 PHE 4.78 -0.93 1 37 GLU 5.21 -1.30 1 38 LEU 3.28 -0.99 1 40 VAL 7.54 -2.00 1 41 SER 3.87 -1.10 1 42 MET -2.13 3.28 1 43 VAL 5.83 -1.31 1 44 ILE 5.88 -3.12 1 45 TYR 4.27 -0.81 1 46 LYS 1.53 -1.13 1 47 TRP -2.17 -0.67 1 48 ASP 4.87 -0.55 1 49 ALA 3.40 -1.39 1 50 LEU 1.69 -1.28 1 51 ASP 2.62 1.61 1 52 VAL 4.57 -1.04 1 53 ALA 2.53 -0.84 1 54 VAL 5.63 -1.34 1 55 GLU 2.92 -0.64 1 56 ASN 0.25 -0.26 1 57 SER 3.44 -2.84 1 58 TRP 0.74 -0.82 1 62 ASP 0.97 -2.05 1 63 SER 5.20 1.29 1 64 ALA 5.07 -1.68 1 65 GLU 4.42 -1.30 1 66 LYS 2.92 0.46 1 67 ARG 5.55 -1.70 1 68 ASP 4.94 -1.53 1 69 TRP 3.95 -1.46 1 70 ILE 6.43 -1.42 1 71 THR 8.77 -2.88 1 73 ILE 4.87 -1.35 1 74 VAL 6.76 -2.01 1 75 VAL 6.92 -1.18 1 76 ASP 4.12 -1.08 1 77 LEU 3.28 -0.05 1 78 PHE 3.24 -0.67 1 79 LYS 2.61 -0.06 1 80 ASN -1.83 2.64 1 81 GLU -4.09 1.89 1 82 LYS -0.08 0.68 1 83 VAL -3.23 2.02 1 84 VAL -2.51 2.25 1 85 ASP -6.50 2.97 1 86 ALA 3.93 -1.07 1 87 ALA 3.85 -1.23 1 88 LEU 3.21 -0.61 1 89 ILE 6.03 -0.96 1 90 GLU 4.15 -0.37 1 91 GLU 3.38 -0.29 1 92 THR 6.76 -1.25 1 93 LEU 4.18 -0.96 1 94 LEU 4.20 -0.98 1 95 TYR 4.61 -1.80 1 96 ALA 3.27 -0.36 1 97 MET 4.84 -2.48 1 98 ILE 4.42 -0.27 1 99 ASP 2.94 0.52 1 100 GLU -0.64 0.41 1 101 PHE -0.60 0.89 1 102 GLU 2.70 -1.94 1 103 THR -1.96 2.19 1 104 ASN -1.27 0.18 1 105 VAL 2.41 -1.30 1 106 GLU -1.49 1.04 1 107 ASP -0.72 -0.12 1 108 ASP 3.00 -1.44 1 109 SER 2.67 -0.17 1 110 ALA 0.98 0.10 1 111 LEU 9.97 -3.58 1 114 ALA 2.24 0.95 1 115 VAL 5.54 -0.86 1 116 GLU 3.26 -0.68 1 117 VAL 7.88 -2.01 1 118 ILE 5.88 -2.92 1 119 ASN 4.65 -1.34 1 120 ILE 4.39 -2.18 1 121 TYR 7.87 -1.78 1 122 ASN 4.04 -0.74 1 123 ASP 5.85 -1.97 1 125 PHE 4.26 -0.45 1 126 ASN -0.20 0.49 1 128 ASN -1.36 -0.73 1 129 TYR -1.66 -1.29 1 130 ASN 4.68 -0.39 1 131 LYS 4.61 -1.45 1 132 VAL 6.55 -0.94 1 133 GLU 3.89 -0.79 1 134 LYS 3.73 -0.35 1 135 LEU 2.44 0.11 1 136 TYR 2.77 -0.31 1 137 LEU 4.11 -0.81 1 138 GLU 3.16 -0.36 1 139 TRP 3.96 0.28 1 140 GLN 3.60 0.01 1 141 GLU 3.10 -0.85 1 142 LYS 4.05 -1.15 1 143 GLN 3.08 -1.48 1 144 ARG 3.29 -0.52 1 145 THR 2.12 -0.54 1 146 LYS 1.88 -0.52 1 147 LYS 1.15 -0.46 1 148 SER 0.47 -0.07 1 149 LYS 0.44 -0.30 1 150 ARG 0.36 -0.09 1 151 VAL 0.06 -0.07 1 152 VAL -0.19 -0.02 1 153 HIS -0.61 1.19 1 154 ILE -0.26 0.02 1 155 GLU -0.78 0.55 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34247_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.50 _LACS_plot.Line_1_terminator_val_y_1 0.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.30 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.02 _LACS_plot.Line_2_terminator_val_x_2 9.97 _LACS_plot.Line_2_terminator_val_y_2 -0.89 _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 85 ASP -6.50 0.56 0 17 GLN -5.78 0.78 0 71 THR 8.77 -0.03 0 10 ILE -0.67 -0.20 1 11 ASP -0.23 -0.18 1 12 GLU 1.17 -0.30 1 13 THR 0.39 -0.06 1 14 ALA -0.01 -0.05 1 15 PHE -4.15 0.54 1 16 VAL -3.79 0.05 1 18 ALA -0.78 -0.29 1 19 GLU -1.69 -0.26 1 20 GLN 3.24 -0.40 1 22 LYS -1.62 0.25 1 23 THR 1.02 -0.28 1 24 ASN -0.97 -0.32 1 25 LEU -0.71 -0.17 1 26 MET 0.86 -0.53 1 27 PHE 1.83 -0.38 1 28 SER 1.53 -0.25 1 29 ASP -2.72 0.04 1 30 GLU 3.50 -0.42 1 31 LYS 4.64 -0.41 1 32 GLN 2.20 -0.66 1 33 GLN 5.05 -0.09 1 34 ALA 3.84 -0.32 1 35 ARG 2.30 -0.66 1 36 PHE 4.78 -0.33 1 37 GLU 5.21 -1.24 1 38 LEU 3.28 -0.47 1 40 VAL 7.54 -1.07 1 41 SER 3.87 -0.52 1 42 MET -2.13 -0.44 1 43 VAL 5.83 -0.61 1 44 ILE 5.88 -0.46 1 45 TYR 4.27 -0.45 1 46 LYS 1.53 0.01 1 47 TRP -2.17 0.28 1 48 ASP 4.87 -0.43 1 49 ALA 3.40 -0.73 1 50 LEU 1.69 -1.03 1 51 ASP 2.62 -0.67 1 52 VAL 4.57 -0.93 1 53 ALA 2.53 -1.21 1 54 VAL 5.63 -0.68 1 55 GLU 2.92 -0.59 1 56 ASN 0.25 -0.24 1 57 SER 3.44 -0.29 1 58 TRP 0.74 0.07 1 62 ASP 0.97 0.33 1 63 SER 5.20 -0.72 1 64 ALA 5.07 -0.39 1 65 GLU 4.42 -0.32 1 66 LYS 2.92 -0.55 1 67 ARG 5.55 -0.21 1 68 ASP 4.94 -0.02 1 69 TRP 3.95 -0.27 1 70 ILE 6.43 -0.71 1 73 ILE 4.87 -0.37 1 74 VAL 6.76 -0.52 1 75 VAL 6.92 -0.52 1 76 ASP 4.12 -0.29 1 77 LEU 3.28 -0.37 1 78 PHE 3.24 -0.89 1 79 LYS 2.61 -0.48 1 80 ASN -1.83 0.04 1 81 GLU -4.09 0.22 1 82 LYS -0.08 -0.49 1 83 VAL -3.23 0.51 1 84 VAL -2.51 -0.35 1 86 ALA 3.93 -0.64 1 87 ALA 3.85 -0.31 1 88 LEU 3.21 -0.16 1 89 ILE 6.03 -0.90 1 90 GLU 4.15 -0.95 1 91 GLU 3.38 -0.56 1 92 THR 6.76 -0.50 1 93 LEU 4.18 -0.42 1 94 LEU 4.20 -0.18 1 95 TYR 4.61 -0.19 1 96 ALA 3.27 0.09 1 97 MET 4.84 0.10 1 98 ILE 4.42 -0.65 1 99 ASP 2.94 -0.38 1 100 GLU -0.64 0.00 1 101 PHE -0.60 -0.11 1 102 GLU 2.70 -0.20 1 103 THR -1.96 -0.05 1 104 ASN -1.27 -0.08 1 105 VAL 2.41 -0.24 1 106 GLU -1.49 0.22 1 107 ASP -0.72 -0.06 1 108 ASP 3.00 0.01 1 109 SER 2.67 -0.45 1 110 ALA 0.98 -0.91 1 111 LEU 9.97 -0.69 1 113 ILE 3.96 -0.68 1 114 ALA 2.24 -0.66 1 115 VAL 5.54 -0.88 1 116 GLU 3.26 -0.15 1 117 VAL 7.88 -0.75 1 118 ILE 5.88 -0.57 1 119 ASN 4.65 -0.27 1 120 ILE 4.39 -0.20 1 121 TYR 7.87 -0.95 1 122 ASN 4.04 -0.28 1 123 ASP 5.85 -0.19 1 125 PHE 4.26 -0.95 1 126 ASN -0.20 -0.31 1 127 LEU 5.01 -1.22 1 128 ASN -1.36 -0.28 1 129 TYR -1.66 0.11 1 130 ASN 4.68 -0.51 1 131 LYS 4.61 -0.31 1 132 VAL 6.55 -0.93 1 133 GLU 3.89 -0.46 1 134 LYS 3.73 -0.32 1 135 LEU 2.44 -0.33 1 136 TYR 2.77 0.38 1 137 LEU 4.11 -0.42 1 138 GLU 3.16 -0.44 1 139 TRP 3.96 -0.58 1 140 GLN 3.60 -1.06 1 141 GLU 3.10 -0.45 1 142 LYS 4.05 -0.47 1 143 GLN 3.08 -0.78 1 144 ARG 3.29 -0.44 1 145 THR 2.12 -0.31 1 146 LYS 1.88 -0.30 1 147 LYS 1.15 -0.22 1 148 SER 0.47 -0.21 1 149 LYS 0.44 -0.14 1 150 ARG 0.36 -0.15 1 151 VAL 0.06 -0.14 1 152 VAL -0.19 -0.14 1 153 HIS -0.61 -0.15 1 154 ILE -0.26 -0.17 1 155 GLU -0.78 -0.17 1 stop_ save_