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 bmr15335_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.82 _LACS_plot.Line_1_terminator_val_y_1 -2.89 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.27 _LACS_plot.Line_2_terminator_val_x_2 7.36 _LACS_plot.Line_2_terminator_val_y_2 5.40 _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 109 HIS -3.80 2.22 0 10 LEU 0.51 0.42 1 11 THR -0.11 -0.15 1 12 ALA 0.02 0.31 1 14 ILE 0.43 0.33 1 16 ALA -0.46 -0.12 1 17 ALA 0.00 -0.05 1 18 ILE 0.20 -0.01 1 19 VAL 0.32 0.22 1 21 LEU -0.10 0.03 1 22 ASP 0.06 -0.04 1 23 HIS -0.62 0.81 1 25 ASN -0.03 0.15 1 26 GLU 0.50 0.59 1 27 ALA 0.37 0.38 1 28 ASP 0.33 0.30 1 29 ALA 0.27 0.34 1 30 ALA 0.31 0.31 1 31 GLU -0.07 0.18 1 32 GLN 0.08 0.14 1 33 THR 0.21 0.22 1 34 GLN -0.06 -0.02 1 36 THR 0.05 0.06 1 37 ASN 0.30 0.18 1 38 GLN 0.16 0.28 1 39 SER 0.18 0.22 1 40 THR 0.21 0.10 1 42 GLN 0.10 0.22 1 45 SER 0.17 0.37 1 47 SER -0.27 0.09 1 48 SER 0.21 0.31 1 49 ALA -0.48 -0.15 1 50 ASN 0.05 -0.70 1 51 LEU 0.24 -0.89 1 52 TYR 2.95 1.56 1 53 THR 3.01 2.48 1 54 ALA 2.42 0.34 1 56 GLN -2.03 -1.17 1 58 THR 1.85 -0.03 1 59 TRP 2.74 3.32 1 60 TYR 0.66 2.75 1 61 VAL 6.95 5.22 1 62 TYR 5.74 5.05 1 63 ASP 3.02 2.84 1 64 LYS 3.31 1.00 1 65 VAL 0.34 -2.04 1 68 ASN 1.42 1.18 1 69 ILE -3.93 -1.68 1 71 SER -0.02 0.41 1 72 THR 0.21 -1.23 1 73 TRP 1.16 -0.95 1 75 ASN 0.15 0.32 1 76 ALA 1.96 2.35 1 77 ASN 5.22 2.27 1 78 ASN -1.40 0.36 1 79 TRP 5.85 5.05 1 80 ALA 5.16 3.21 1 81 SER 3.76 2.58 1 82 ALA 3.88 2.13 1 83 ALA 2.49 1.96 1 84 SER 4.58 3.48 1 85 SER 4.24 3.29 1 86 ALA -0.70 -0.50 1 88 TYR 0.66 0.15 1 89 THR 2.71 2.44 1 90 VAL -2.63 -1.68 1 91 ASN 0.22 -0.44 1 92 ASN -0.46 0.39 1 93 SER -2.85 -2.08 1 95 GLU -6.44 -2.08 1 96 ALA 3.04 1.66 1 98 SER -2.40 -0.61 1 99 ILE -3.74 -1.23 1 100 LEU -0.45 0.21 1 101 GLN -0.27 -0.01 1 102 SER -5.35 -3.08 1 103 THR 0.51 -0.31 1 104 ALA -0.17 0.54 1 107 TYR -1.37 -0.13 1 110 VAL -7.82 -4.38 1 111 ALA -7.37 -2.27 1 112 TYR -2.82 -0.42 1 113 VAL 3.87 1.44 1 114 GLU 0.64 0.95 1 115 ASN -3.62 0.27 1 116 VAL -0.20 -0.17 1 117 ASN -0.89 0.17 1 118 SER 4.27 3.14 1 119 ASP 0.41 -0.95 1 121 SER -0.43 0.40 1 122 VAL -3.82 -0.77 1 123 GLU -3.08 -2.12 1 124 VAL -6.15 -3.93 1 125 SER -3.54 -1.05 1 126 GLU -4.57 -2.49 1 127 MET -6.91 -2.34 1 128 ASN 1.13 0.33 1 129 TYR 0.15 1.22 1 130 ASN -0.35 0.08 1 134 PHE 7.36 4.18 1 135 SER -0.38 -0.23 1 136 VAL -0.33 -0.46 1 137 SER -3.21 -1.28 1 138 GLU -5.11 -1.96 1 139 ARG -4.40 -0.18 1 140 THR 0.10 -0.03 1 141 ILE -2.26 -0.94 1 142 SER -0.20 0.44 1 143 ALA 3.46 2.97 1 145 GLU 0.22 0.85 1 146 ALA 4.37 3.69 1 147 SER 2.03 1.57 1 148 SER 0.85 0.98 1 149 TYR -1.52 -0.66 1 150 ASN -2.98 -1.12 1 151 TYR -2.32 -0.99 1 152 ILE -1.03 -0.40 1 153 HIS 0.04 0.95 1 154 LEU 0.40 0.25 1 155 ASN 0.47 0.02 1 156 LEU 0.33 0.25 1 157 GLU 0.41 0.44 1 158 HIS -0.19 1.03 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15335_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.82 _LACS_plot.Line_1_terminator_val_y_1 4.93 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.73 _LACS_plot.Line_2_terminator_val_x_2 7.36 _LACS_plot.Line_2_terminator_val_y_2 -1.96 _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 109 HIS -3.80 6.02 0 10 LEU 0.51 -0.09 1 11 THR -0.11 -0.04 1 12 ALA 0.02 0.29 1 14 ILE 0.43 -0.10 1 16 ALA -0.46 0.34 1 17 ALA 0.00 -0.05 1 18 ILE 0.20 -0.21 1 19 VAL 0.32 -0.10 1 21 LEU -0.10 0.13 1 22 ASP 0.06 -0.10 1 23 HIS -0.62 1.43 1 25 ASN -0.03 0.18 1 26 GLU 0.50 0.09 1 27 ALA 0.37 0.01 1 28 ASP 0.33 -0.03 1 29 ALA 0.27 0.07 1 30 ALA 0.31 0.00 1 31 GLU -0.07 0.25 1 32 GLN 0.08 0.06 1 33 THR 0.21 0.01 1 34 GLN -0.06 0.04 1 36 THR 0.05 0.01 1 37 ASN 0.30 -0.12 1 38 GLN 0.16 0.12 1 39 SER 0.18 0.04 1 40 THR 0.21 -0.11 1 42 GLN 0.10 0.12 1 45 SER 0.17 0.20 1 47 SER -0.27 0.36 1 48 SER 0.21 0.10 1 49 ALA -0.48 0.33 1 50 ASN 0.05 -0.75 1 51 LEU 0.24 -1.13 1 52 TYR 2.95 -1.39 1 53 THR 3.01 -0.53 1 54 ALA 2.42 -2.08 1 56 GLN -2.03 0.86 1 58 THR 1.85 -1.88 1 59 TRP 2.74 0.58 1 60 TYR 0.66 2.09 1 61 VAL 6.95 -1.73 1 62 TYR 5.74 -0.69 1 63 ASP 3.02 -0.18 1 64 LYS 3.31 -2.31 1 65 VAL 0.34 -2.38 1 68 ASN 1.42 -0.24 1 69 ILE -3.93 2.25 1 71 SER -0.02 0.43 1 72 THR 0.21 -1.44 1 73 TRP 1.16 -2.11 1 75 ASN 0.15 0.17 1 76 ALA 1.96 0.39 1 77 ASN 5.22 -2.95 1 78 ASN -1.40 1.76 1 79 TRP 5.85 -0.80 1 80 ALA 5.16 -1.95 1 81 SER 3.76 -1.18 1 82 ALA 3.88 -1.75 1 83 ALA 2.49 -0.53 1 84 SER 4.58 -1.10 1 85 SER 4.24 -0.95 1 86 ALA -0.70 0.20 1 88 TYR 0.66 -0.51 1 89 THR 2.71 -0.27 1 90 VAL -2.63 0.95 1 91 ASN 0.22 -0.66 1 92 ASN -0.46 0.85 1 93 SER -2.85 0.77 1 95 GLU -6.44 4.36 1 96 ALA 3.04 -1.38 1 98 SER -2.40 1.79 1 99 ILE -3.74 2.51 1 100 LEU -0.45 0.66 1 101 GLN -0.27 0.26 1 102 SER -5.35 2.27 1 103 THR 0.51 -0.82 1 104 ALA -0.17 0.71 1 107 TYR -1.37 1.24 1 110 VAL -7.82 3.44 1 111 ALA -7.37 5.10 1 112 TYR -2.82 2.40 1 113 VAL 3.87 -2.43 1 114 GLU 0.64 0.31 1 115 ASN -3.62 3.89 1 116 VAL -0.20 0.03 1 117 ASN -0.89 1.06 1 118 SER 4.27 -1.13 1 119 ASP 0.41 -1.36 1 121 SER -0.43 0.83 1 122 VAL -3.82 3.05 1 123 GLU -3.08 0.96 1 124 VAL -6.15 2.22 1 125 SER -3.54 2.49 1 126 GLU -4.57 2.08 1 127 MET -6.91 4.57 1 128 ASN 1.13 -0.80 1 129 TYR 0.15 1.07 1 130 ASN -0.35 0.43 1 134 PHE 7.36 -3.18 1 135 SER -0.38 0.15 1 136 VAL -0.33 -0.13 1 137 SER -3.21 1.93 1 138 GLU -5.11 3.15 1 139 ARG -4.40 4.22 1 140 THR 0.10 -0.13 1 141 ILE -2.26 1.32 1 142 SER -0.20 0.64 1 143 ALA 3.46 -0.49 1 145 GLU 0.22 0.63 1 146 ALA 4.37 -0.68 1 147 SER 2.03 -0.46 1 148 SER 0.85 0.13 1 149 TYR -1.52 0.86 1 150 ASN -2.98 1.86 1 151 TYR -2.32 1.33 1 152 ILE -1.03 0.63 1 153 HIS 0.04 0.91 1 154 LEU 0.40 -0.15 1 155 ASN 0.47 -0.45 1 156 LEU 0.33 -0.08 1 157 GLU 0.41 0.03 1 158 HIS -0.19 1.22 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15335_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.82 _LACS_plot.Line_1_terminator_val_y_1 0.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.23 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.20 _LACS_plot.Line_2_terminator_val_x_2 7.36 _LACS_plot.Line_2_terminator_val_y_2 -0.81 _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 54 ALA 2.42 -2.63 0 10 LEU 0.51 0.08 1 11 THR -0.11 -0.04 1 12 ALA 0.02 0.01 1 14 ILE 0.43 0.02 1 16 ALA -0.46 -0.02 1 17 ALA 0.00 -0.02 1 18 ILE 0.20 -0.01 1 19 VAL 0.32 -0.01 1 21 LEU -0.10 -0.02 1 22 ASP 0.06 -0.09 1 23 HIS -0.62 -0.07 1 25 ASN -0.03 0.00 1 26 GLU 0.50 -0.12 1 27 ALA 0.37 -0.05 1 28 ASP 0.33 -0.10 1 29 ALA 0.27 -0.05 1 30 ALA 0.31 -0.06 1 31 GLU -0.07 -0.11 1 32 GLN 0.08 0.05 1 33 THR 0.21 -0.04 1 34 GLN -0.06 0.00 1 36 THR 0.05 -0.02 1 37 ASN 0.30 -0.03 1 38 GLN 0.16 0.04 1 39 SER 0.18 0.05 1 40 THR 0.21 0.09 1 42 GLN 0.10 0.04 1 45 SER 0.17 0.02 1 47 SER -0.27 0.03 1 48 SER 0.21 0.01 1 49 ALA -0.48 -0.04 1 50 ASN 0.05 -0.98 1 51 LEU 0.24 -0.09 1 52 TYR 2.95 -0.17 1 53 THR 3.01 -0.62 1 56 GLN -2.03 0.10 1 58 THR 1.85 -1.17 1 59 TRP 2.74 -0.33 1 60 TYR 0.66 -0.44 1 61 VAL 6.95 -1.06 1 62 TYR 5.74 -0.96 1 63 ASP 3.02 -0.42 1 64 LYS 3.31 -0.67 1 65 VAL 0.34 0.28 1 68 ASN 1.42 -0.10 1 69 ILE -3.93 0.06 1 71 SER -0.02 -0.34 1 72 THR 0.21 0.12 1 73 TRP 1.16 -0.19 1 75 ASN 0.15 -0.03 1 76 ALA 1.96 -1.44 1 77 ASN 5.22 -0.61 1 78 ASN -1.40 0.24 1 79 TRP 5.85 -0.49 1 80 ALA 5.16 -0.55 1 81 SER 3.76 -0.43 1 82 ALA 3.88 -0.63 1 83 ALA 2.49 -1.13 1 84 SER 4.58 0.08 1 85 SER 4.24 -0.18 1 86 ALA -0.70 0.27 1 88 TYR 0.66 0.01 1 89 THR 2.71 -0.17 1 90 VAL -2.63 1.29 1 91 ASN 0.22 0.26 1 92 ASN -0.46 1.12 1 93 SER -2.85 0.07 1 95 GLU -6.44 0.02 1 96 ALA 3.04 -0.64 1 98 SER -2.40 0.32 1 99 ILE -3.74 0.56 1 100 LEU -0.45 -0.17 1 101 GLN -0.27 0.61 1 102 SER -5.35 0.61 1 103 THR 0.51 -0.03 1 104 ALA -0.17 0.00 1 107 TYR -1.37 0.13 1 109 HIS -3.80 0.31 1 110 VAL -7.82 1.21 1 111 ALA -7.37 0.20 1 112 TYR -2.82 0.27 1 113 VAL 3.87 -0.19 1 114 GLU 0.64 -0.13 1 115 ASN -3.62 -0.04 1 116 VAL -0.20 0.30 1 117 ASN -0.89 0.07 1 118 SER 4.27 -0.31 1 119 ASP 0.41 -0.10 1 121 SER -0.43 -0.07 1 122 VAL -3.82 0.36 1 123 GLU -3.08 0.87 1 124 VAL -6.15 1.60 1 125 SER -3.54 1.12 1 126 GLU -4.57 0.81 1 127 MET -6.91 0.73 1 128 ASN 1.13 -0.55 1 129 TYR 0.15 -0.28 1 130 ASN -0.35 -0.24 1 134 PHE 7.36 -0.16 1 135 SER -0.38 0.18 1 136 VAL -0.33 0.57 1 137 SER -3.21 0.37 1 138 GLU -5.11 1.03 1 139 ARG -4.40 0.28 1 140 THR 0.10 0.77 1 141 ILE -2.26 0.02 1 142 SER -0.20 -0.32 1 143 ALA 3.46 -0.44 1 145 GLU 0.22 -0.14 1 146 ALA 4.37 -0.23 1 147 SER 2.03 0.34 1 148 SER 0.85 -0.09 1 149 TYR -1.52 0.15 1 150 ASN -2.98 0.33 1 151 TYR -2.32 0.74 1 152 ILE -1.03 0.13 1 153 HIS 0.04 -0.03 1 154 LEU 0.40 0.30 1 155 ASN 0.47 0.01 1 156 LEU 0.33 -0.06 1 157 GLU 0.41 -0.22 1 158 HIS -0.19 -0.11 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15335_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.82 _LACS_plot.Line_1_terminator_val_y_1 -2.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.65 _LACS_plot.Line_2_terminator_val_x_2 7.36 _LACS_plot.Line_2_terminator_val_y_2 1.42 _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 134 PHE 7.36 -1.33 0 84 SER 4.58 5.29 0 10 LEU 0.51 -0.03 1 11 THR -0.11 -0.47 1 12 ALA 0.02 0.24 1 14 ILE 0.43 0.56 1 16 ALA -0.46 -0.44 1 17 ALA 0.00 -0.21 1 18 ILE 0.20 -0.12 1 19 VAL 0.32 0.12 1 21 LEU -0.10 -0.51 1 22 ASP 0.06 -0.21 1 23 HIS -0.62 1.29 1 25 ASN -0.03 0.33 1 26 GLU 0.50 -0.03 1 27 ALA 0.37 -0.09 1 28 ASP 0.33 0.02 1 29 ALA 0.27 -0.05 1 30 ALA 0.31 0.27 1 31 GLU -0.07 0.09 1 32 GLN 0.08 0.23 1 33 THR 0.21 -0.35 1 34 GLN -0.06 -0.38 1 36 THR 0.05 -0.19 1 37 ASN 0.30 -0.04 1 38 GLN 0.16 0.09 1 39 SER 0.18 0.40 1 40 THR 0.21 0.21 1 42 GLN 0.10 0.09 1 45 SER 0.17 0.46 1 47 SER -0.27 0.40 1 48 SER 0.21 -0.29 1 49 ALA -0.48 -1.69 1 50 ASN 0.05 0.44 1 51 LEU 0.24 0.21 1 52 TYR 2.95 -0.93 1 53 THR 3.01 -1.47 1 54 ALA 2.42 -0.56 1 56 GLN -2.03 0.44 1 58 THR 1.85 -0.44 1 59 TRP 2.74 1.96 1 60 TYR 0.66 1.26 1 61 VAL 6.95 0.06 1 62 TYR 5.74 0.59 1 63 ASP 3.02 3.30 1 64 LYS 3.31 1.83 1 65 VAL 0.34 0.46 1 68 ASN 1.42 -0.96 1 69 ILE -3.93 -2.11 1 71 SER -0.02 -0.04 1 72 THR 0.21 0.74 1 73 TRP 1.16 -0.32 1 75 ASN 0.15 0.52 1 76 ALA 1.96 1.96 1 77 ASN 5.22 0.05 1 78 ASN -1.40 1.17 1 79 TRP 5.85 1.04 1 80 ALA 5.16 1.20 1 81 SER 3.76 2.64 1 82 ALA 3.88 2.32 1 83 ALA 2.49 2.45 1 85 SER 4.24 0.19 1 86 ALA -0.70 -0.70 1 88 TYR 0.66 0.40 1 89 THR 2.71 -1.67 1 90 VAL -2.63 -0.64 1 91 ASN 0.22 -1.26 1 92 ASN -0.46 -0.72 1 93 SER -2.85 -2.01 1 95 GLU -6.44 -1.60 1 96 ALA 3.04 -0.21 1 98 SER -2.40 -3.47 1 99 ILE -3.74 -0.01 1 100 LEU -0.45 -2.68 1 101 GLN -0.27 -3.24 1 102 SER -5.35 0.27 1 103 THR 0.51 -0.66 1 104 ALA -0.17 0.40 1 107 TYR -1.37 0.14 1 109 HIS -3.80 -0.26 1 110 VAL -7.82 -3.41 1 111 ALA -7.37 -3.72 1 112 TYR -2.82 -1.56 1 113 VAL 3.87 -1.89 1 114 GLU 0.64 1.14 1 115 ASN -3.62 -2.79 1 116 VAL -0.20 -0.59 1 117 ASN -0.89 2.95 1 118 SER 4.27 0.09 1 119 ASP 0.41 0.37 1 121 SER -0.43 -1.64 1 122 VAL -3.82 -1.92 1 123 GLU -3.08 0.06 1 124 VAL -6.15 -0.37 1 125 SER -3.54 -1.45 1 126 GLU -4.57 -4.69 1 127 MET -6.91 -1.30 1 128 ASN 1.13 -0.29 1 129 TYR 0.15 -0.81 1 130 ASN -0.35 0.14 1 135 SER -0.38 -0.48 1 136 VAL -0.33 -0.48 1 137 SER -3.21 -2.61 1 138 GLU -5.11 -0.36 1 139 ARG -4.40 -2.41 1 140 THR 0.10 -0.58 1 141 ILE -2.26 -1.25 1 142 SER -0.20 -0.49 1 143 ALA 3.46 2.97 1 145 GLU 0.22 2.48 1 146 ALA 4.37 2.36 1 147 SER 2.03 -0.55 1 148 SER 0.85 -1.00 1 149 TYR -1.52 -1.83 1 150 ASN -2.98 -1.42 1 151 TYR -2.32 -0.97 1 152 ILE -1.03 -0.97 1 153 HIS 0.04 1.10 1 154 LEU 0.40 -1.05 1 155 ASN 0.47 0.04 1 156 LEU 0.33 -0.02 1 157 GLU 0.41 -0.15 1 158 HIS -0.19 0.86 1 stop_ save_