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 bmr27688_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.39 _LACS_plot.Line_1_terminator_val_y_1 -3.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.59 _LACS_plot.Line_2_terminator_val_x_2 5.16 _LACS_plot.Line_2_terminator_val_y_2 3.46 _LACS_plot.Y_axis_chem_shift_offset 0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 107 GLU 5.03 5.81 0 10 ILE -3.51 -1.83 1 11 ARG -5.54 -2.34 1 12 ASP -5.03 -1.94 1 13 SER 3.54 2.51 1 14 ARG 1.05 -0.48 1 15 GLN 5.15 1.06 1 16 MET 1.24 1.65 1 17 VAL -3.74 -3.37 1 18 TRP -1.90 -1.99 1 19 VAL -4.44 -0.86 1 20 LEU -1.32 -0.94 1 21 SER -1.98 -2.66 1 23 ASN -0.28 -0.76 1 24 SER -3.00 -1.18 1 25 LEU -3.37 -1.63 1 26 ILE -5.65 -2.22 1 27 ALA -4.29 -2.54 1 28 ALA -2.79 -0.05 1 30 LEU 1.62 1.30 1 31 SER -2.66 -1.36 1 32 ARG 3.22 2.12 1 33 SER 0.80 0.57 1 34 ILE -3.62 -2.08 1 35 LYS -2.22 -1.94 1 37 VAL -0.52 -0.28 1 38 THR 0.67 0.08 1 39 LEU -3.66 -1.30 1 40 HIS -8.39 -2.55 1 41 LEU -5.25 -0.78 1 42 ILE -4.49 -0.30 1 43 ALA 0.02 -0.24 1 45 ARG 1.98 1.54 1 46 ASP -0.49 -0.07 1 47 THR 0.22 -0.33 1 48 GLU 3.05 2.40 1 49 PHE 0.56 -0.63 1 50 SER 0.87 1.21 1 51 ASP -0.40 -0.17 1 52 LYS 3.10 2.15 1 53 GLU 1.44 1.04 1 54 LYS 0.85 0.45 1 56 ASN -1.86 -0.71 1 57 MET -0.27 1.00 1 58 VAL -6.47 -3.38 1 59 TYR -3.13 -1.16 1 60 LEU -6.61 -1.72 1 62 ILE -1.46 -2.46 1 63 LYS 3.25 2.47 1 65 LYS -6.32 -2.89 1 66 ASP 1.53 -1.08 1 67 LEU -7.15 -1.86 1 69 LEU 2.53 2.93 1 70 PHE -6.22 -1.33 1 72 ALA -5.29 -2.54 1 73 GLU -1.61 -0.93 1 74 ILE -1.49 -1.52 1 75 GLN 3.40 0.77 1 77 LYS -3.54 -1.64 1 79 THR -3.31 -0.39 1 80 LEU -1.81 -0.72 1 81 GLN -6.11 -1.88 1 82 LEU -2.69 -1.84 1 83 LYS -6.27 -3.26 1 84 GLU 2.01 -0.07 1 85 LYS -2.46 -1.94 1 86 ASN -2.08 -0.82 1 87 ILE 4.32 3.74 1 88 MET 4.67 -0.34 1 89 ASP 4.11 2.44 1 90 LEU 4.47 1.89 1 91 TYR 2.57 3.12 1 92 VAL 1.41 0.15 1 93 GLU 1.51 0.64 1 94 LYS 2.91 2.34 1 95 LYS -2.96 -2.81 1 96 ALA -0.66 0.18 1 97 GLN -1.28 -2.12 1 98 LYS 2.87 0.27 1 100 PHE -1.04 -0.10 1 101 LEU -3.46 -1.17 1 102 PHE -4.25 -1.37 1 103 PHE -0.40 -0.01 1 104 HIS -5.52 -2.06 1 105 ASN -6.12 -3.16 1 106 LYS -2.13 -2.22 1 109 SER 0.66 0.32 1 110 THR -4.47 -1.93 1 111 SER -1.25 1.12 1 112 VAL -4.85 -2.40 1 113 PHE -5.18 -1.62 1 114 GLN -6.17 -3.12 1 115 SER 2.17 1.31 1 116 VAL 3.38 2.07 1 117 SER 4.41 4.25 1 118 TYR -0.61 -1.54 1 121 TRP 0.00 -1.22 1 122 PHE -4.06 -1.20 1 123 ILE 5.17 3.78 1 124 ALA -8.33 -2.78 1 125 THR -5.08 -3.46 1 126 SER -1.43 -1.43 1 127 THR 2.84 1.36 1 128 THR -0.76 -0.57 1 129 SER 0.87 1.18 1 131 GLN -0.98 -1.28 1 133 ILE 4.47 1.86 1 134 PHE -4.55 -2.23 1 135 LEU -5.12 -2.32 1 136 THR -2.98 -2.00 1 137 LYS -0.92 -1.78 1 138 GLU -2.23 -2.19 1 139 ARG 1.95 0.56 1 141 ILE 2.17 1.71 1 142 THR 1.60 0.74 1 143 ASN -2.53 -0.80 1 144 ASN -1.29 0.30 1 145 THR -2.83 -1.95 1 146 ASN -1.94 0.04 1 147 PHE -3.47 -0.48 1 148 TYR 0.11 -0.16 1 149 LEU -1.62 -1.76 1 150 ASP -3.32 -1.35 1 151 SER 1.75 1.18 1 152 VAL -2.58 -1.60 1 153 GLU 0.33 1.38 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27688_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.39 _LACS_plot.Line_1_terminator_val_y_1 5.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.61 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.41 _LACS_plot.Line_2_terminator_val_x_2 5.16 _LACS_plot.Line_2_terminator_val_y_2 -1.70 _LACS_plot.Y_axis_chem_shift_offset 0.24 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 107 GLU 5.03 0.78 0 10 ILE -3.51 1.68 1 11 ARG -5.54 3.20 1 12 ASP -5.03 3.09 1 13 SER 3.54 -1.03 1 14 ARG 1.05 -1.53 1 15 GLN 5.15 -4.09 1 16 MET 1.24 0.41 1 17 VAL -3.74 0.37 1 18 TRP -1.90 -0.09 1 19 VAL -4.44 3.58 1 20 LEU -1.32 0.38 1 21 SER -1.98 -0.68 1 23 ASN -0.28 -0.48 1 24 SER -3.00 1.82 1 25 LEU -3.37 1.74 1 26 ILE -5.65 3.43 1 27 ALA -4.29 1.75 1 28 ALA -2.79 2.74 1 30 LEU 1.62 -0.32 1 31 SER -2.66 1.30 1 32 ARG 3.22 -1.10 1 33 SER 0.80 -0.23 1 34 ILE -3.62 1.54 1 35 LYS -2.22 0.28 1 37 VAL -0.52 0.24 1 38 THR 0.67 -0.59 1 39 LEU -3.66 2.36 1 40 HIS -8.39 5.84 1 41 LEU -5.25 4.47 1 42 ILE -4.49 4.19 1 43 ALA 0.02 -0.26 1 45 ARG 1.98 -0.44 1 46 ASP -0.49 0.42 1 47 THR 0.22 -0.55 1 48 GLU 3.05 -0.65 1 49 PHE 0.56 -1.19 1 50 SER 0.87 0.34 1 51 ASP -0.40 0.23 1 52 LYS 3.10 -0.95 1 53 GLU 1.44 -0.40 1 54 LYS 0.85 -0.40 1 56 ASN -1.86 1.15 1 57 MET -0.27 1.27 1 58 VAL -6.47 3.09 1 59 TYR -3.13 1.97 1 60 LEU -6.61 4.89 1 62 ILE -1.46 -1.00 1 63 LYS 3.25 -0.78 1 65 LYS -6.32 3.43 1 66 ASP 1.53 -2.61 1 67 LEU -7.15 5.29 1 69 LEU 2.53 0.40 1 70 PHE -6.22 4.89 1 72 ALA -5.29 2.75 1 73 GLU -1.61 0.68 1 74 ILE -1.49 -0.03 1 75 GLN 3.40 -2.63 1 77 LYS -3.54 1.90 1 79 THR -3.31 2.92 1 80 LEU -1.81 1.09 1 81 GLN -6.11 4.23 1 82 LEU -2.69 0.85 1 83 LYS -6.27 3.01 1 84 GLU 2.01 -2.08 1 85 LYS -2.46 0.52 1 86 ASN -2.08 1.26 1 87 ILE 4.32 -0.58 1 88 MET 4.67 -5.01 1 89 ASP 4.11 -1.67 1 90 LEU 4.47 -2.58 1 91 TYR 2.57 0.55 1 92 VAL 1.41 -1.26 1 93 GLU 1.51 -0.87 1 94 LYS 2.91 -0.57 1 95 LYS -2.96 0.15 1 96 ALA -0.66 0.84 1 97 GLN -1.28 -0.84 1 98 LYS 2.87 -2.60 1 100 PHE -1.04 0.94 1 101 LEU -3.46 2.29 1 102 PHE -4.25 2.88 1 103 PHE -0.40 0.39 1 104 HIS -5.52 3.46 1 105 ASN -6.12 2.96 1 106 LYS -2.13 -0.09 1 109 SER 0.66 -0.34 1 110 THR -4.47 2.54 1 111 SER -1.25 2.37 1 112 VAL -4.85 2.45 1 113 PHE -5.18 3.56 1 114 GLN -6.17 3.05 1 115 SER 2.17 -0.86 1 116 VAL 3.38 -1.31 1 117 SER 4.41 -0.16 1 118 TYR -0.61 -0.93 1 121 TRP 0.00 -1.22 1 122 PHE -4.06 2.86 1 123 ILE 5.17 -1.39 1 124 ALA -8.33 5.55 1 125 THR -5.08 1.62 1 126 SER -1.43 0.00 1 127 THR 2.84 -1.48 1 128 THR -0.76 0.19 1 129 SER 0.87 0.31 1 131 GLN -0.98 -0.30 1 133 ILE 4.47 -2.61 1 134 PHE -4.55 2.32 1 135 LEU -5.12 2.80 1 136 THR -2.98 0.98 1 137 LYS -0.92 -0.86 1 138 GLU -2.23 0.04 1 139 ARG 1.95 -1.39 1 141 ILE 2.17 -0.46 1 142 THR 1.60 -0.86 1 143 ASN -2.53 1.73 1 144 ASN -1.29 1.59 1 145 THR -2.83 0.88 1 146 ASN -1.94 1.98 1 147 PHE -3.47 2.99 1 148 TYR 0.11 -0.27 1 149 LEU -1.62 -0.14 1 150 ASP -3.32 1.97 1 151 SER 1.75 -0.57 1 152 VAL -2.58 0.98 1 153 GLU 0.33 1.05 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27688_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.39 _LACS_plot.Line_1_terminator_val_y_1 0.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.27 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.21 _LACS_plot.Line_2_terminator_val_x_2 5.16 _LACS_plot.Line_2_terminator_val_y_2 -0.66 _LACS_plot.Y_axis_chem_shift_offset 0.04 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 27 ALA -4.29 1.49 0 10 ILE -3.51 0.91 1 11 ARG -5.54 1.12 1 12 ASP -5.03 0.59 1 13 SER 3.54 -0.36 1 14 ARG 1.05 0.03 1 15 GLN 5.15 -0.71 1 16 MET 1.24 -0.18 1 17 VAL -3.74 0.91 1 18 TRP -1.90 0.81 1 19 VAL -4.44 0.10 1 20 LEU -1.32 0.24 1 21 SER -1.98 0.03 1 23 ASN -0.28 -0.10 1 24 SER -3.00 0.11 1 25 LEU -3.37 0.56 1 26 ILE -5.65 0.60 1 28 ALA -2.79 0.21 1 30 LEU 1.62 -0.44 1 31 SER -2.66 0.09 1 32 ARG 3.22 -0.20 1 33 SER 0.80 -0.14 1 34 ILE -3.62 0.13 1 35 LYS -2.22 0.16 1 37 VAL -0.52 -0.11 1 38 THR 0.67 0.02 1 39 LEU -3.66 0.32 1 40 HIS -8.39 0.78 1 41 LEU -5.25 0.97 1 42 ILE -4.49 0.31 1 43 ALA 0.02 0.25 1 45 ARG 1.98 -0.18 1 46 ASP -0.49 -0.08 1 47 THR 0.22 -0.17 1 48 GLU 3.05 -0.57 1 49 PHE 0.56 -0.02 1 50 SER 0.87 -0.20 1 51 ASP -0.40 -0.16 1 52 LYS 3.10 -0.25 1 53 GLU 1.44 -0.37 1 54 LYS 0.85 -0.42 1 56 ASN -1.86 0.11 1 57 MET -0.27 0.43 1 58 VAL -6.47 0.90 1 59 TYR -3.13 0.69 1 60 LEU -6.61 1.04 1 62 ILE -1.46 0.07 1 63 LYS 3.25 -1.06 1 65 LYS -6.32 0.21 1 66 ASP 1.53 0.21 1 67 LEU -7.15 0.95 1 69 LEU 2.53 0.21 1 70 PHE -6.22 0.05 1 72 ALA -5.29 -0.06 1 73 GLU -1.61 -0.34 1 74 ILE -1.49 -0.06 1 75 GLN 3.40 -0.64 1 77 LYS -3.54 -0.15 1 79 THR -3.31 0.03 1 80 LEU -1.81 0.36 1 81 GLN -6.11 0.29 1 82 LEU -2.69 0.67 1 83 LYS -6.27 0.12 1 84 GLU 2.01 0.35 1 85 LYS -2.46 -0.29 1 86 ASN -2.08 -0.03 1 87 ILE 4.32 -0.61 1 88 MET 4.67 0.09 1 89 ASP 4.11 -0.35 1 90 LEU 4.47 -0.79 1 91 TYR 2.57 -0.50 1 92 VAL 1.41 -0.44 1 93 GLU 1.51 -0.45 1 94 LYS 2.91 -0.58 1 95 LYS -2.96 0.18 1 96 ALA -0.66 -0.38 1 97 GLN -1.28 0.12 1 98 LYS 2.87 -0.32 1 100 PHE -1.04 0.45 1 101 LEU -3.46 0.33 1 102 PHE -4.25 0.18 1 103 PHE -0.40 0.19 1 104 HIS -5.52 0.65 1 105 ASN -6.12 0.26 1 106 LYS -2.13 0.70 1 107 GLU 5.03 -0.81 1 109 SER 0.66 -0.01 1 110 THR -4.47 0.05 1 111 SER -1.25 0.54 1 112 VAL -4.85 0.42 1 113 PHE -5.18 1.22 1 114 GLN -6.17 0.54 1 115 SER 2.17 -0.84 1 116 VAL 3.38 -0.70 1 117 SER 4.41 -1.22 1 118 TYR -0.61 -0.25 1 121 TRP 0.00 0.18 1 122 PHE -4.06 0.78 1 123 ILE 5.17 -0.31 1 124 ALA -8.33 1.30 1 125 THR -5.08 0.41 1 126 SER -1.43 0.34 1 127 THR 2.84 -0.34 1 128 THR -0.76 -0.01 1 129 SER 0.87 -0.23 1 131 GLN -0.98 -0.01 1 133 ILE 4.47 0.06 1 134 PHE -4.55 0.63 1 135 LEU -5.12 1.17 1 136 THR -2.98 0.63 1 137 LYS -0.92 0.53 1 138 GLU -2.23 -0.12 1 139 ARG 1.95 -0.30 1 141 ILE 2.17 -0.09 1 142 THR 1.60 -0.17 1 143 ASN -2.53 0.14 1 144 ASN -1.29 0.13 1 145 THR -2.83 0.51 1 146 ASN -1.94 0.06 1 147 PHE -3.47 0.28 1 148 TYR 0.11 -0.06 1 149 LEU -1.62 0.65 1 150 ASP -3.32 0.42 1 151 SER 1.75 -0.17 1 152 VAL -2.58 0.17 1 153 GLU 0.33 -0.42 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27688_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.39 _LACS_plot.Line_1_terminator_val_y_1 -2.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.07 _LACS_plot.Line_2_terminator_val_x_2 5.16 _LACS_plot.Line_2_terminator_val_y_2 0.54 _LACS_plot.Y_axis_chem_shift_offset 0.62 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 153 GLU 0.33 4.63 0 10 ILE -3.51 -3.65 1 11 ARG -5.54 -1.37 1 12 ASP -5.03 2.49 1 13 SER 3.54 0.73 1 14 ARG 1.05 -1.07 1 15 GLN 5.15 -0.81 1 16 MET 1.24 0.16 1 17 VAL -3.74 -1.44 1 18 TRP -1.90 -0.24 1 19 VAL -4.44 -2.41 1 20 LEU -1.32 -1.66 1 21 SER -1.98 0.31 1 23 ASN -0.28 -1.43 1 24 SER -3.00 -2.93 1 25 LEU -3.37 -1.27 1 26 ILE -5.65 -2.98 1 27 ALA -4.29 -0.62 1 28 ALA -2.79 -3.10 1 30 LEU 1.62 -1.14 1 31 SER -2.66 -0.21 1 32 ARG 3.22 0.77 1 33 SER 0.80 -0.89 1 34 ILE -3.62 -2.16 1 35 LYS -2.22 -1.32 1 37 VAL -0.52 -0.52 1 38 THR 0.67 -2.14 1 39 LEU -3.66 -1.29 1 40 HIS -8.39 0.17 1 41 LEU -5.25 -1.92 1 42 ILE -4.49 -4.65 1 43 ALA 0.02 -1.29 1 45 ARG 1.98 -0.19 1 46 ASP -0.49 0.43 1 47 THR 0.22 1.18 1 48 GLU 3.05 0.17 1 49 PHE 0.56 -0.86 1 50 SER 0.87 -0.79 1 51 ASP -0.40 0.04 1 52 LYS 3.10 1.61 1 53 GLU 1.44 0.92 1 54 LYS 0.85 -1.12 1 56 ASN -1.86 -0.18 1 57 MET -0.27 -0.10 1 58 VAL -6.47 -2.43 1 59 TYR -3.13 -0.78 1 60 LEU -6.61 -1.97 1 62 ILE -1.46 -0.58 1 63 LYS 3.25 0.61 1 65 LYS -6.32 -1.41 1 66 ASP 1.53 -0.14 1 67 LEU -7.15 -0.74 1 69 LEU 2.53 -2.17 1 70 PHE -6.22 -2.69 1 72 ALA -5.29 -2.50 1 73 GLU -1.61 -1.55 1 74 ILE -1.49 -0.14 1 75 GLN 3.40 0.15 1 77 LYS -3.54 1.89 1 79 THR -3.31 -2.79 1 80 LEU -1.81 -2.01 1 81 GLN -6.11 -2.44 1 82 LEU -2.69 -0.97 1 83 LYS -6.27 -1.07 1 84 GLU 2.01 -2.00 1 85 LYS -2.46 -3.97 1 86 ASN -2.08 1.72 1 87 ILE 4.32 -0.81 1 88 MET 4.67 3.31 1 89 ASP 4.11 2.83 1 90 LEU 4.47 1.05 1 91 TYR 2.57 1.04 1 92 VAL 1.41 0.30 1 93 GLU 1.51 0.51 1 94 LYS 2.91 0.37 1 95 LYS -2.96 -0.33 1 96 ALA -0.66 -0.23 1 97 GLN -1.28 -0.79 1 98 LYS 2.87 -0.27 1 100 PHE -1.04 -1.08 1 101 LEU -3.46 -1.22 1 102 PHE -4.25 -0.54 1 103 PHE -0.40 -0.04 1 104 HIS -5.52 0.23 1 105 ASN -6.12 -2.19 1 106 LYS -2.13 0.09 1 109 SER 0.66 -0.62 1 110 THR -4.47 -1.72 1 111 SER -1.25 -2.59 1 112 VAL -4.85 -1.63 1 113 PHE -5.18 -1.83 1 114 GLN -6.17 -0.74 1 115 SER 2.17 -0.97 1 116 VAL 3.38 1.52 1 117 SER 4.41 -1.29 1 118 TYR -0.61 -4.69 1 121 TRP 0.00 -0.94 1 122 PHE -4.06 1.08 1 123 ILE 5.17 -2.02 1 124 ALA -8.33 -2.54 1 125 THR -5.08 0.61 1 126 SER -1.43 0.04 1 127 THR 2.84 0.43 1 128 THR -0.76 -1.07 1 129 SER 0.87 1.33 1 131 GLN -0.98 -1.08 1 133 ILE 4.47 -0.44 1 134 PHE -4.55 -3.53 1 135 LEU -5.12 -0.35 1 136 THR -2.98 -3.78 1 137 LYS -0.92 0.04 1 138 GLU -2.23 -1.27 1 139 ARG 1.95 0.07 1 141 ILE 2.17 0.98 1 142 THR 1.60 -1.31 1 143 ASN -2.53 -2.82 1 144 ASN -1.29 -0.64 1 145 THR -2.83 -3.11 1 146 ASN -1.94 -1.55 1 147 PHE -3.47 -1.85 1 148 TYR 0.11 -1.57 1 149 LEU -1.62 -1.35 1 150 ASP -3.32 -0.92 1 151 SER 1.75 0.08 1 152 VAL -2.58 -1.74 1 stop_ save_