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 bmr18415_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.34 _LACS_plot.Line_1_terminator_val_y_1 -2.78 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.63 _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 6.51 _LACS_plot.Line_2_terminator_val_y_2 4.66 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 24 TRP 6.03 7.08 0 10 PHE -0.43 0.83 1 11 GLN 4.99 1.55 1 12 SER 2.36 1.50 1 13 ASN -5.32 -0.76 1 15 TYR -6.06 -0.28 1 16 PHE -3.17 -2.20 1 18 LEU -2.82 0.26 1 19 THR 0.71 0.44 1 20 ASP -0.05 -1.08 1 21 ASN -0.20 0.35 1 22 LYS -6.98 -0.54 1 23 THR -2.05 -0.03 1 25 ALA 4.24 3.39 1 26 GLU 1.12 1.70 1 27 SER 6.51 5.04 1 28 GLU 4.60 1.60 1 29 ARG 4.36 3.69 1 30 ASN 3.01 4.55 1 32 SER 4.50 3.36 1 34 MET -1.57 -0.51 1 36 ALA -8.34 -2.78 1 37 HIS -6.40 -0.43 1 38 LEU 0.01 1.27 1 39 MET 1.88 3.39 1 40 THR -2.72 -1.93 1 41 ILE -1.11 -1.34 1 42 SER 0.55 1.47 1 43 THR -5.88 -2.55 1 44 GLU 3.19 2.73 1 45 ALA 3.51 2.68 1 46 GLU 2.07 2.68 1 47 GLN 3.63 4.21 1 48 ASN 3.27 1.93 1 49 PHE 3.98 2.46 1 50 ILE -1.86 -1.45 1 51 ILE 4.98 3.10 1 52 GLN 1.95 1.57 1 53 PHE -0.73 -0.80 1 54 LEU -0.84 -1.53 1 55 ASP -2.66 -1.10 1 56 ARG 3.28 2.96 1 57 ARG 1.74 1.53 1 58 LEU -1.68 -0.82 1 59 SER -2.36 -1.10 1 60 TYR -4.14 -1.43 1 61 PHE 2.11 3.38 1 62 LEU -7.20 -3.32 1 64 LEU -1.67 -0.80 1 65 ARG -4.73 -1.10 1 66 ASP -1.02 -2.35 1 67 GLU 1.83 2.25 1 68 ASN -0.70 -0.19 1 69 ALA 3.06 1.13 1 70 LYS -0.42 -0.78 1 72 GLN -0.77 -2.54 1 73 TRP 0.04 -0.68 1 74 ARG -5.39 -1.67 1 75 TRP -3.16 -1.73 1 76 VAL 2.89 2.36 1 77 ASP -0.75 -1.44 1 78 GLN 5.39 2.09 1 79 THR 3.73 3.36 1 81 PHE 0.23 0.65 1 82 ASN -3.29 -2.50 1 84 ARG 0.74 0.00 1 85 ARG -1.33 -2.19 1 86 VAL -5.26 -3.93 1 87 PHE -0.10 -2.32 1 88 TRP -2.21 -0.26 1 89 HIS -0.59 3.12 1 90 LYS 2.66 2.04 1 91 ASN 3.76 2.24 1 92 GLU -3.88 -3.33 1 95 ASN 0.53 0.36 1 96 SER 0.03 0.45 1 97 GLN 0.13 0.26 1 99 GLU 0.34 -0.09 1 100 ASN -2.74 0.28 1 102 VAL -1.42 0.83 1 103 VAL -6.69 -4.46 1 104 LEU -2.55 -0.11 1 105 VAL -4.70 -0.97 1 106 TYR -0.00 -0.85 1 107 ASN -2.60 -0.49 1 108 GLN 5.05 1.91 1 109 ASP 2.07 1.00 1 110 LYS -3.22 -0.73 1 111 TRP -1.58 -0.31 1 112 ALA 2.03 -0.19 1 113 TRP -5.65 -2.88 1 114 ASN -4.46 -1.34 1 115 ASP -1.41 -2.01 1 116 VAL -3.25 -1.52 1 119 ASN 1.86 0.04 1 120 PHE -0.19 0.66 1 121 GLU -2.53 -2.01 1 122 ALA -2.76 -1.26 1 123 SER 3.22 2.36 1 124 ARG -1.09 -0.06 1 125 ILE -3.02 -0.26 1 127 LYS -6.39 -0.97 1 128 ILE -5.51 -0.32 1 131 THR -0.50 -0.30 1 132 THR 0.58 0.65 1 133 LEU 0.73 0.65 1 134 ASN 0.58 0.52 1 135 ALA 1.59 1.43 1 136 GLU 1.53 1.28 1 137 ASN 1.56 1.37 1 138 LEU 2.23 1.83 1 139 TYR 2.68 2.25 1 140 PHE 2.28 1.93 1 141 GLN 2.03 1.66 1 142 SER 0.69 0.70 1 143 HIS 1.09 1.04 1 148 HIS 0.35 0.71 1 149 TRP -0.70 -0.37 1 150 SER 0.03 0.03 1 151 HIS 0.41 0.36 1 153 GLN 0.57 0.60 1 154 PHE -0.39 -0.33 1 155 GLU -0.70 -0.07 1 156 LYS 0.82 1.60 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18415_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.34 _LACS_plot.Line_1_terminator_val_y_1 5.56 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.37 _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 6.51 _LACS_plot.Line_2_terminator_val_y_2 -1.85 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 24 TRP 6.03 1.05 0 10 PHE -0.43 1.26 1 11 GLN 4.99 -3.44 1 12 SER 2.36 -0.86 1 13 ASN -5.32 4.56 1 15 TYR -6.06 5.78 1 16 PHE -3.17 0.97 1 18 LEU -2.82 3.08 1 19 THR 0.71 -0.27 1 20 ASP -0.05 -1.03 1 21 ASN -0.20 0.55 1 22 LYS -6.98 6.44 1 23 THR -2.05 2.02 1 25 ALA 4.24 -0.85 1 26 GLU 1.12 0.58 1 27 SER 6.51 -1.47 1 28 GLU 4.60 -3.00 1 29 ARG 4.36 -0.67 1 30 ASN 3.01 1.54 1 32 SER 4.50 -1.14 1 34 MET -1.57 1.06 1 36 ALA -8.34 5.56 1 37 HIS -6.40 5.97 1 38 LEU 0.01 1.26 1 39 MET 1.88 1.51 1 40 THR -2.72 0.79 1 41 ILE -1.11 -0.23 1 42 SER 0.55 0.92 1 43 THR -5.88 3.33 1 44 GLU 3.19 -0.46 1 45 ALA 3.51 -0.83 1 46 GLU 2.07 0.61 1 47 GLN 3.63 0.58 1 48 ASN 3.27 -1.34 1 49 PHE 3.98 -1.52 1 50 ILE -1.86 0.41 1 51 ILE 4.98 -1.88 1 52 GLN 1.95 -0.38 1 53 PHE -0.73 -0.07 1 54 LEU -0.84 -0.69 1 55 ASP -2.66 1.56 1 56 ARG 3.28 -0.32 1 57 ARG 1.74 -0.21 1 58 LEU -1.68 0.86 1 59 SER -2.36 1.26 1 60 TYR -4.14 2.71 1 61 PHE 2.11 1.27 1 62 LEU -7.20 3.88 1 64 LEU -1.67 0.87 1 65 ARG -4.73 3.63 1 66 ASP -1.02 -1.33 1 67 GLU 1.83 0.42 1 68 ASN -0.70 0.51 1 69 ALA 3.06 -1.93 1 70 LYS -0.42 -0.36 1 72 GLN -0.77 -1.77 1 73 TRP 0.04 -0.72 1 74 ARG -5.39 3.72 1 75 TRP -3.16 1.43 1 76 VAL 2.89 -0.53 1 77 ASP -0.75 -0.69 1 78 GLN 5.39 -3.30 1 79 THR 3.73 -0.37 1 81 PHE 0.23 0.42 1 82 ASN -3.29 0.79 1 84 ARG 0.74 -0.74 1 85 ARG -1.33 -0.86 1 86 VAL -5.26 1.33 1 87 PHE -0.10 -2.22 1 88 TRP -2.21 1.95 1 89 HIS -0.59 3.71 1 90 LYS 2.66 -0.62 1 91 ASN 3.76 -1.52 1 92 GLU -3.88 0.55 1 95 ASN 0.53 -0.17 1 96 SER 0.03 0.42 1 97 GLN 0.13 0.13 1 99 GLU 0.34 -0.43 1 100 ASN -2.74 3.02 1 102 VAL -1.42 2.25 1 103 VAL -6.69 2.23 1 104 LEU -2.55 2.44 1 105 VAL -4.70 3.73 1 106 TYR -0.00 -0.85 1 107 ASN -2.60 2.11 1 108 GLN 5.05 -3.14 1 109 ASP 2.07 -1.07 1 110 LYS -3.22 2.49 1 111 TRP -1.58 1.27 1 112 ALA 2.03 -2.22 1 113 TRP -5.65 2.77 1 114 ASN -4.46 3.12 1 115 ASP -1.41 -0.60 1 116 VAL -3.25 1.73 1 119 ASN 1.86 -1.82 1 120 PHE -0.19 0.85 1 121 GLU -2.53 0.52 1 122 ALA -2.76 1.50 1 123 SER 3.22 -0.86 1 124 ARG -1.09 1.03 1 125 ILE -3.02 2.76 1 127 LYS -6.39 5.42 1 128 ILE -5.51 5.19 1 131 THR -0.50 0.20 1 132 THR 0.58 0.07 1 133 LEU 0.73 -0.08 1 134 ASN 0.58 -0.06 1 135 ALA 1.59 -0.16 1 136 GLU 1.53 -0.25 1 137 ASN 1.56 -0.19 1 138 LEU 2.23 -0.40 1 139 TYR 2.68 -0.43 1 140 PHE 2.28 -0.35 1 141 GLN 2.03 -0.37 1 142 SER 0.69 0.01 1 143 HIS 1.09 -0.05 1 148 HIS 0.35 0.36 1 149 TRP -0.70 0.33 1 150 SER 0.03 0.00 1 151 HIS 0.41 -0.05 1 153 GLN 0.57 0.03 1 154 PHE -0.39 0.06 1 155 GLU -0.70 0.63 1 156 LYS 0.82 0.78 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18415_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.34 _LACS_plot.Line_1_terminator_val_y_1 0.76 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.25 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.13 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 -0.67 _LACS_plot.Y_axis_chem_shift_offset 0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 86 VAL -5.26 -0.32 0 115 ASP -1.41 1.23 0 113 TRP -5.65 1.50 0 23 THR -2.05 1.30 0 36 ALA -8.34 0.38 0 24 TRP 6.03 -1.63 0 10 PHE -0.43 -0.43 1 11 GLN 4.99 -0.88 1 12 SER 2.36 -0.22 1 13 ASN -5.32 0.52 1 15 TYR -6.06 1.23 1 16 PHE -3.17 0.02 1 18 LEU -2.82 0.34 1 19 THR 0.71 0.26 1 20 ASP -0.05 -0.18 1 21 ASN -0.20 -0.09 1 22 LYS -6.98 0.54 1 25 ALA 4.24 -0.37 1 26 GLU 1.12 -0.29 1 27 SER 6.51 -0.62 1 28 GLU 4.60 -0.08 1 29 ARG 4.36 -0.30 1 30 ASN 3.01 -0.29 1 32 SER 4.50 0.23 1 34 MET -1.57 0.12 1 37 HIS -6.40 0.40 1 38 LEU 0.01 0.43 1 39 MET 1.88 -0.63 1 40 THR -2.72 -0.34 1 41 ILE -1.11 0.08 1 42 SER 0.55 0.18 1 43 THR -5.88 0.46 1 44 GLU 3.19 -0.90 1 45 ALA 3.51 -0.27 1 46 GLU 2.07 -0.74 1 47 GLN 3.63 -0.65 1 48 ASN 3.27 -0.53 1 49 PHE 3.98 -0.64 1 50 ILE -1.86 -0.63 1 51 ILE 4.98 -1.28 1 52 GLN 1.95 -0.57 1 53 PHE -0.73 -0.04 1 54 LEU -0.84 -0.25 1 55 ASP -2.66 0.18 1 56 ARG 3.28 -0.03 1 57 ARG 1.74 -0.05 1 58 LEU -1.68 0.36 1 59 SER -2.36 1.03 1 60 TYR -4.14 -0.27 1 61 PHE 2.11 0.67 1 62 LEU -7.20 0.73 1 64 LEU -1.67 0.24 1 65 ARG -4.73 0.82 1 66 ASP -1.02 -0.21 1 67 GLU 1.83 -0.57 1 68 ASN -0.70 -0.08 1 69 ALA 3.06 -0.45 1 70 LYS -0.42 0.00 1 72 GLN -0.77 0.05 1 73 TRP 0.04 -0.76 1 74 ARG -5.39 0.37 1 75 TRP -3.16 0.77 1 76 VAL 2.89 0.16 1 77 ASP -0.75 -0.66 1 78 GLN 5.39 -0.22 1 79 THR 3.73 -0.36 1 81 PHE 0.23 0.29 1 82 ASN -3.29 0.00 1 84 ARG 0.74 -0.02 1 85 ARG -1.33 -0.04 1 87 PHE -0.10 -0.30 1 88 TRP -2.21 0.14 1 89 HIS -0.59 -0.36 1 90 LYS 2.66 -0.21 1 91 ASN 3.76 -0.42 1 92 GLU -3.88 -0.06 1 95 ASN 0.53 -0.10 1 96 SER 0.03 -0.06 1 97 GLN 0.13 -0.09 1 99 GLU 0.34 -0.08 1 100 ASN -2.74 0.54 1 102 VAL -1.42 1.07 1 103 VAL -6.69 1.23 1 104 LEU -2.55 0.64 1 105 VAL -4.70 0.89 1 106 TYR -0.00 -0.09 1 107 ASN -2.60 -0.19 1 108 GLN 5.05 -0.69 1 109 ASP 2.07 -0.66 1 110 LYS -3.22 0.23 1 111 TRP -1.58 0.41 1 112 ALA 2.03 -0.15 1 114 ASN -4.46 0.75 1 116 VAL -3.25 0.45 1 119 ASN 1.86 0.17 1 120 PHE -0.19 -0.07 1 121 GLU -2.53 0.20 1 122 ALA -2.76 0.15 1 123 SER 3.22 0.05 1 124 ARG -1.09 1.15 1 125 ILE -3.02 0.55 1 127 LYS -6.39 1.30 1 128 ILE -5.51 0.45 1 131 THR -0.50 0.08 1 132 THR 0.58 -0.07 1 133 LEU 0.73 -0.08 1 134 ASN 0.58 -0.12 1 135 ALA 1.59 -0.19 1 136 GLU 1.53 -0.14 1 137 ASN 1.56 -0.10 1 138 LEU 2.23 -0.21 1 139 TYR 2.68 -0.26 1 140 PHE 2.28 -0.26 1 141 GLN 2.03 -0.23 1 142 SER 0.69 -0.18 1 143 HIS 1.09 -0.23 1 148 HIS 0.35 -0.09 1 149 TRP -0.70 0.00 1 150 SER 0.03 -0.14 1 151 HIS 0.41 -0.20 1 153 GLN 0.57 -0.15 1 154 PHE -0.39 0.06 1 155 GLU -0.70 -0.08 1 156 LYS 0.82 -0.19 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr18415_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.34 _LACS_plot.Line_1_terminator_val_y_1 -1.71 _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 -0.67 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 1.41 _LACS_plot.Y_axis_chem_shift_offset 0.14 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 36 ALA -8.34 -3.52 0 62 LEU -7.20 1.92 0 75 TRP -3.16 4.37 0 10 PHE -0.43 -1.19 1 11 GLN 4.99 -0.14 1 12 SER 2.36 -1.26 1 13 ASN -5.32 -0.87 1 15 TYR -6.06 0.43 1 16 PHE -3.17 -1.46 1 18 LEU -2.82 -0.21 1 19 THR 0.71 0.91 1 20 ASP -0.05 -1.62 1 21 ASN -0.20 1.34 1 22 LYS -6.98 0.11 1 23 THR -2.05 3.71 1 24 TRP 6.03 2.10 1 25 ALA 4.24 4.29 1 26 GLU 1.12 3.16 1 27 SER 6.51 -0.30 1 28 GLU 4.60 2.26 1 29 ARG 4.36 3.04 1 30 ASN 3.01 2.95 1 32 SER 4.50 4.46 1 34 MET -1.57 -0.94 1 37 HIS -6.40 1.25 1 38 LEU 0.01 1.58 1 39 MET 1.88 -1.43 1 40 THR -2.72 -1.76 1 41 ILE -1.11 -2.05 1 42 SER 0.55 -0.10 1 43 THR -5.88 -0.89 1 44 GLU 3.19 1.66 1 45 ALA 3.51 2.30 1 46 GLU 2.07 0.85 1 47 GLN 3.63 0.43 1 48 ASN 3.27 1.79 1 49 PHE 3.98 1.45 1 50 ILE -1.86 0.49 1 51 ILE 4.98 0.69 1 52 GLN 1.95 0.44 1 53 PHE -0.73 -0.81 1 54 LEU -0.84 -2.13 1 55 ASP -2.66 1.60 1 56 ARG 3.28 1.90 1 57 ARG 1.74 0.76 1 58 LEU -1.68 -1.15 1 59 SER -2.36 -1.34 1 60 TYR -4.14 -0.34 1 61 PHE 2.11 -0.37 1 65 ARG -4.73 -2.05 1 66 ASP -1.02 0.22 1 67 GLU 1.83 -0.95 1 68 ASN -0.70 -0.72 1 69 ALA 3.06 -0.72 1 70 LYS -0.42 1.13 1 72 GLN -0.77 -1.72 1 73 TRP 0.04 -0.32 1 74 ARG -5.39 0.68 1 76 VAL 2.89 -0.87 1 77 ASP -0.75 -0.01 1 78 GLN 5.39 0.39 1 79 THR 3.73 -0.30 1 81 PHE 0.23 -0.95 1 82 ASN -3.29 0.04 1 84 ARG 0.74 0.59 1 85 ARG -1.33 -3.28 1 87 PHE -0.10 -2.33 1 88 TRP -2.21 3.20 1 89 HIS -0.59 1.52 1 90 LYS 2.66 0.63 1 91 ASN 3.76 -1.81 1 92 GLU -3.88 -3.41 1 95 ASN 0.53 0.50 1 96 SER 0.03 0.23 1 97 GLN 0.13 0.06 1 99 GLU 0.34 0.00 1 102 VAL -1.42 -0.77 1 103 VAL -6.69 -1.16 1 104 LEU -2.55 -1.35 1 105 VAL -4.70 -2.67 1 106 TYR -0.00 -0.89 1 107 ASN -2.60 -1.28 1 108 GLN 5.05 -0.94 1 109 ASP 2.07 -1.95 1 110 LYS -3.22 -1.93 1 111 TRP -1.58 -0.18 1 112 ALA 2.03 -2.80 1 113 TRP -5.65 1.37 1 114 ASN -4.46 -0.49 1 115 ASP -1.41 -2.01 1 116 VAL -3.25 -2.57 1 119 ASN 1.86 -0.35 1 120 PHE -0.19 -2.64 1 121 GLU -2.53 -1.87 1 122 ALA -2.76 -0.18 1 123 SER 3.22 -2.09 1 124 ARG -1.09 -2.52 1 125 ILE -3.02 -0.74 1 127 LYS -6.39 -1.96 1 128 ILE -5.51 -2.54 1 131 THR -0.50 0.56 1 132 THR 0.58 0.17 1 133 LEU 0.73 -0.23 1 134 ASN 0.58 0.52 1 135 ALA 1.59 1.26 1 136 GLU 1.53 0.90 1 137 ASN 1.56 1.58 1 138 LEU 2.23 1.27 1 139 TYR 2.68 1.69 1 140 PHE 2.28 1.63 1 141 GLN 2.03 0.98 1 142 SER 0.69 0.38 1 143 HIS 1.09 0.30 1 148 HIS 0.35 0.17 1 149 TRP -0.70 0.02 1 150 SER 0.03 -0.89 1 151 HIS 0.41 -0.11 1 153 GLN 0.57 -0.28 1 154 PHE -0.39 -0.21 1 155 GLU -0.70 -1.39 1 156 LYS 0.82 4.62 1 stop_ save_