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 bmr5497_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.44 _LACS_plot.Line_1_terminator_val_y_1 -2.97 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.33 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.13 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 4.44 _LACS_plot.Y_axis_chem_shift_offset 0.74 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 133 MET -5.94 -1.20 0 141 HIS 3.38 4.98 0 54 MET -6.96 -2.01 0 61 TRP -3.46 -5.15 0 26 THR 0.33 -0.37 1 27 GLN -0.16 -0.48 1 28 THR -0.28 -0.80 1 29 HIS -1.70 -0.55 1 30 LEU 0.11 -1.26 1 31 ASN -0.23 -1.56 1 32 PHE -1.70 -0.32 1 33 THR 1.60 0.71 1 34 GLN -0.30 -1.03 1 35 ILE -5.91 -2.98 1 36 LYS -2.74 -1.21 1 37 THR -7.44 -4.58 1 38 VAL 5.04 3.48 1 39 ASP 4.05 2.56 1 40 GLU 2.70 2.24 1 41 LEU 5.27 2.53 1 42 ASN 4.65 2.45 1 43 GLN 4.31 2.18 1 44 ALA 3.20 1.85 1 45 LEU 4.09 2.13 1 46 VAL 5.78 3.71 1 47 GLU 2.38 1.08 1 48 ALA -0.69 -0.77 1 49 LYS 3.64 1.61 1 51 LYS -1.03 -1.07 1 53 VAL -5.49 -2.48 1 55 LEU -5.93 -3.26 1 56 ASP -4.23 -1.27 1 57 LEU -1.33 -1.95 1 58 TYR -3.15 -0.91 1 59 ALA -3.90 -2.21 1 60 ASP 2.49 1.97 1 63 VAL 6.51 4.54 1 64 ALA 1.97 1.37 1 66 LYS 4.74 2.54 1 67 GLU 3.95 2.48 1 68 PHE 5.80 4.57 1 69 GLU 3.53 2.39 1 70 LYS 2.22 2.09 1 71 TYR -0.30 0.24 1 72 THR 6.42 4.44 1 73 PHE 0.53 -2.40 1 74 SER -1.48 -1.59 1 75 ASP -4.10 -0.59 1 77 GLN 4.60 2.57 1 78 VAL 5.00 3.58 1 79 GLN 6.04 3.42 1 80 LYS 3.78 2.35 1 81 ALA 2.24 1.37 1 82 LEU -0.57 -1.14 1 83 ALA 2.97 2.34 1 84 ASP -0.59 -1.13 1 85 THR 0.01 0.16 1 86 VAL 3.01 1.15 1 87 LEU -0.66 -1.90 1 88 LEU -7.01 -3.34 1 89 GLN -6.68 -2.32 1 90 ALA -5.03 -2.72 1 91 ASN -1.06 -2.69 1 92 VAL 0.82 -2.40 1 93 THR 5.61 5.31 1 94 ALA 1.91 0.87 1 95 ASN 1.62 0.74 1 96 ASP -1.15 -1.61 1 97 ALA 3.79 2.62 1 98 GLN 4.48 2.71 1 99 ASP 3.93 2.65 1 100 VAL 4.95 3.52 1 101 ALA 3.65 2.05 1 102 LEU 4.37 2.73 1 103 LEU 5.06 2.93 1 104 LYS 3.47 2.20 1 105 HIS 2.21 3.97 1 106 LEU -2.02 -1.71 1 107 ASN 2.96 0.39 1 108 VAL 0.52 -0.15 1 109 LEU 0.08 -0.44 1 111 LEU -1.88 -1.18 1 113 THR -0.94 2.19 1 114 ILE -2.22 -1.28 1 115 LEU -3.84 -1.28 1 116 PHE -3.51 -1.20 1 117 PHE -4.48 -3.32 1 118 ASP -3.27 -2.70 1 120 GLN -0.17 -1.13 1 122 GLN -1.47 -2.04 1 124 HIS -1.91 -0.37 1 126 GLN 4.14 1.50 1 127 ALA -2.19 -2.12 1 128 ARG 1.11 1.88 1 129 VAL -1.39 -0.64 1 130 THR -0.83 -1.98 1 132 PHE 3.34 2.22 1 134 ASP -0.87 -2.53 1 135 ALA 4.22 3.68 1 136 GLU 3.54 2.70 1 137 THR 6.51 4.45 1 138 PHE 2.79 2.53 1 139 SER 6.30 4.41 1 140 ALA 4.07 2.13 1 142 LEU 3.60 1.45 1 143 ARG 3.85 2.58 1 144 ASP 1.22 1.44 1 145 ARG 0.08 0.67 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5497_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.44 _LACS_plot.Line_1_terminator_val_y_1 4.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -2.33 _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 -2.07 _LACS_plot.Y_axis_chem_shift_offset 0.74 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 133 MET -5.94 4.74 0 141 HIS 3.38 1.60 0 54 MET -6.96 4.95 0 61 TRP -3.46 -1.69 0 26 THR 0.33 -0.70 1 27 GLN -0.16 -0.32 1 28 THR -0.28 -0.52 1 29 HIS -1.70 1.15 1 30 LEU 0.11 -1.37 1 31 ASN -0.23 -1.33 1 32 PHE -1.70 1.38 1 33 THR 1.60 -0.89 1 34 GLN -0.30 -0.73 1 35 ILE -5.91 2.93 1 36 LYS -2.74 1.53 1 37 THR -7.44 2.86 1 38 VAL 5.04 -1.56 1 39 ASP 4.05 -1.49 1 40 GLU 2.70 -0.46 1 41 LEU 5.27 -2.74 1 42 ASN 4.65 -2.20 1 43 GLN 4.31 -2.13 1 44 ALA 3.20 -1.35 1 45 LEU 4.09 -1.96 1 46 VAL 5.78 -2.07 1 47 GLU 2.38 -1.30 1 48 ALA -0.69 -0.08 1 49 LYS 3.64 -2.03 1 51 LYS -1.03 -0.04 1 53 VAL -5.49 3.01 1 55 LEU -5.93 2.67 1 56 ASP -4.23 2.96 1 57 LEU -1.33 -0.62 1 58 TYR -3.15 2.24 1 59 ALA -3.90 1.69 1 60 ASP 2.49 -0.52 1 63 VAL 6.51 -1.97 1 64 ALA 1.97 -0.60 1 66 LYS 4.74 -2.20 1 67 GLU 3.95 -1.47 1 68 PHE 5.80 -1.23 1 69 GLU 3.53 -1.14 1 70 LYS 2.22 -0.13 1 71 TYR -0.30 0.54 1 72 THR 6.42 -1.98 1 73 PHE 0.53 -2.93 1 74 SER -1.48 -0.11 1 75 ASP -4.10 3.51 1 77 GLN 4.60 -2.03 1 78 VAL 5.00 -1.42 1 79 GLN 6.04 -2.62 1 80 LYS 3.78 -1.43 1 81 ALA 2.24 -0.87 1 82 LEU -0.57 -0.57 1 83 ALA 2.97 -0.63 1 84 ASP -0.59 -0.54 1 85 THR 0.01 0.15 1 86 VAL 3.01 -1.86 1 87 LEU -0.66 -1.24 1 88 LEU -7.01 3.67 1 89 GLN -6.68 4.36 1 90 ALA -5.03 2.31 1 91 ASN -1.06 -1.63 1 92 VAL 0.82 -3.22 1 93 THR 5.61 -0.30 1 94 ALA 1.91 -1.04 1 95 ASN 1.62 -0.88 1 96 ASP -1.15 -0.46 1 97 ALA 3.79 -1.17 1 98 GLN 4.48 -1.77 1 99 ASP 3.93 -1.28 1 100 VAL 4.95 -1.43 1 101 ALA 3.65 -1.60 1 102 LEU 4.37 -1.64 1 103 LEU 5.06 -2.13 1 104 LYS 3.47 -1.27 1 105 HIS 2.21 1.76 1 106 LEU -2.02 0.31 1 107 ASN 2.96 -2.57 1 108 VAL 0.52 -0.67 1 109 LEU 0.08 -0.52 1 111 LEU -1.88 0.70 1 113 THR -0.94 3.13 1 114 ILE -2.22 0.94 1 115 LEU -3.84 2.56 1 116 PHE -3.51 2.31 1 117 PHE -4.48 1.16 1 118 ASP -3.27 0.57 1 120 GLN -0.17 -0.96 1 122 GLN -1.47 -0.57 1 124 HIS -1.91 1.54 1 126 GLN 4.14 -2.64 1 127 ALA -2.19 0.07 1 128 ARG 1.11 0.77 1 129 VAL -1.39 0.75 1 130 THR -0.83 -1.15 1 132 PHE 3.34 -1.12 1 134 ASP -0.87 -1.66 1 135 ALA 4.22 -0.54 1 136 GLU 3.54 -0.84 1 137 THR 6.51 -2.06 1 138 PHE 2.79 -0.26 1 139 SER 6.30 -1.89 1 140 ALA 4.07 -1.94 1 142 LEU 3.60 -2.15 1 143 ARG 3.85 -1.27 1 144 ASP 1.22 0.22 1 145 ARG 0.08 0.59 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5497_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.44 _LACS_plot.Line_1_terminator_val_y_1 0.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _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 6.51 _LACS_plot.Line_2_terminator_val_y_2 -0.58 _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 59 ALA -3.90 -0.59 0 133 MET -5.94 -0.36 0 26 THR 0.33 -0.03 1 27 GLN -0.16 0.10 1 28 THR -0.28 -0.03 1 29 HIS -1.70 -0.02 1 30 LEU 0.11 -0.30 1 31 ASN -0.23 0.06 1 32 PHE -1.70 -0.33 1 33 THR 1.60 0.03 1 34 GLN -0.30 0.66 1 35 ILE -5.91 0.38 1 36 LYS -2.74 0.49 1 37 THR -7.44 0.89 1 38 VAL 5.04 -0.95 1 39 ASP 4.05 -0.29 1 40 GLU 2.70 -0.40 1 41 LEU 5.27 -0.48 1 42 ASN 4.65 -0.38 1 43 GLN 4.31 -0.31 1 44 ALA 3.20 -0.26 1 45 LEU 4.09 -0.47 1 46 VAL 5.78 -0.46 1 47 GLU 2.38 -0.31 1 48 ALA -0.69 0.02 1 49 LYS 3.64 -0.23 1 51 LYS -1.03 0.22 1 53 VAL -5.49 0.97 1 54 MET -6.96 0.62 1 55 LEU -5.93 0.93 1 56 ASP -4.23 0.25 1 57 LEU -1.33 0.53 1 58 TYR -3.15 -0.28 1 60 ASP 2.49 -0.48 1 61 TRP -3.46 -0.11 1 63 VAL 6.51 -0.52 1 64 ALA 1.97 -0.03 1 66 LYS 4.74 -0.12 1 67 GLU 3.95 -0.42 1 68 PHE 5.80 -0.56 1 69 GLU 3.53 -0.32 1 70 LYS 2.22 -0.37 1 71 TYR -0.30 0.39 1 72 THR 6.42 0.03 1 73 PHE 0.53 0.02 1 74 SER -1.48 -0.21 1 75 ASP -4.10 0.05 1 77 GLN 4.60 -0.14 1 78 VAL 5.00 -0.53 1 79 GLN 6.04 -0.60 1 80 LYS 3.78 -0.26 1 81 ALA 2.24 -0.15 1 82 LEU -0.57 0.06 1 83 ALA 2.97 -0.25 1 84 ASP -0.59 0.17 1 85 THR 0.01 -0.03 1 86 VAL 3.01 -0.28 1 87 LEU -0.66 0.58 1 88 LEU -7.01 1.28 1 89 GLN -6.68 1.02 1 90 ALA -5.03 0.85 1 91 ASN -1.06 0.49 1 92 VAL 0.82 0.51 1 93 THR 5.61 -0.71 1 94 ALA 1.91 -0.17 1 95 ASN 1.62 -0.42 1 96 ASP -1.15 -0.08 1 97 ALA 3.79 -0.30 1 98 GLN 4.48 -0.14 1 99 ASP 3.93 -0.30 1 100 VAL 4.95 -0.56 1 101 ALA 3.65 -0.15 1 102 LEU 4.37 -0.32 1 103 LEU 5.06 -0.53 1 104 LYS 3.47 -0.10 1 105 HIS 2.21 -0.47 1 106 LEU -2.02 -0.21 1 107 ASN 2.96 -0.44 1 108 VAL 0.52 -0.21 1 109 LEU 0.08 0.09 1 111 LEU -1.88 -0.20 1 113 THR -0.94 0.81 1 114 ILE -2.22 0.65 1 115 LEU -3.84 0.56 1 116 PHE -3.51 0.68 1 117 PHE -4.48 0.76 1 118 ASP -3.27 0.02 1 120 GLN -0.17 0.26 1 122 GLN -1.47 0.25 1 124 HIS -1.91 0.15 1 126 GLN 4.14 -0.06 1 127 ALA -2.19 0.10 1 128 ARG 1.11 0.60 1 129 VAL -1.39 0.31 1 130 THR -0.83 0.82 1 132 PHE 3.34 -0.92 1 134 ASP -0.87 -0.70 1 135 ALA 4.22 -0.24 1 136 GLU 3.54 -0.34 1 137 THR 6.51 -0.40 1 138 PHE 2.79 0.07 1 139 SER 6.30 -0.54 1 140 ALA 4.07 -0.34 1 141 HIS 3.38 -0.72 1 142 LEU 3.60 -0.87 1 143 ARG 3.85 -0.48 1 144 ASP 1.22 -0.11 1 145 ARG 0.08 -0.42 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5497_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.44 _LACS_plot.Line_1_terminator_val_y_1 -4.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.73 _LACS_plot.Line_2_terminator_val_x_2 6.51 _LACS_plot.Line_2_terminator_val_y_2 2.16 _LACS_plot.Y_axis_chem_shift_offset 0.79 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 37 THR -7.44 0.55 0 26 THR 0.33 -1.00 1 27 GLN -0.16 -0.77 1 28 THR -0.28 -1.55 1 29 HIS -1.70 -0.30 1 30 LEU 0.11 -2.00 1 31 ASN -0.23 -1.82 1 32 PHE -1.70 0.76 1 33 THR 1.60 -1.83 1 34 GLN -0.30 -0.38 1 35 ILE -5.91 -2.40 1 36 LYS -2.74 -2.49 1 38 VAL 5.04 0.14 1 39 ASP 4.05 2.31 1 40 GLU 2.70 2.73 1 41 LEU 5.27 -1.17 1 42 ASN 4.65 2.59 1 43 GLN 4.31 1.00 1 44 ALA 3.20 2.56 1 45 LEU 4.09 1.82 1 46 VAL 5.78 2.94 1 47 GLU 2.38 0.00 1 48 ALA -0.69 -2.57 1 49 LYS 3.64 0.26 1 53 VAL -5.49 -1.92 1 54 MET -6.96 -4.53 1 55 LEU -5.93 -5.33 1 56 ASP -4.23 -3.42 1 57 LEU -1.33 -5.13 1 58 TYR -3.15 -3.50 1 59 ALA -3.90 -0.82 1 60 ASP 2.49 -1.45 1 61 TRP -3.46 -1.22 1 63 VAL 6.51 2.45 1 64 ALA 1.97 0.95 1 66 LYS 4.74 2.19 1 67 GLU 3.95 1.98 1 68 PHE 5.80 2.82 1 69 GLU 3.53 -0.20 1 70 LYS 2.22 2.18 1 71 TYR -0.30 0.07 1 72 THR 6.42 -0.15 1 73 PHE 0.53 -1.43 1 74 SER -1.48 -1.61 1 77 GLN 4.60 3.13 1 78 VAL 5.00 0.25 1 79 GLN 6.04 2.82 1 80 LYS 3.78 2.18 1 81 ALA 2.24 1.07 1 82 LEU -0.57 -0.94 1 83 ALA 2.97 -0.71 1 84 ASP -0.59 -2.12 1 85 THR 0.01 -2.03 1 86 VAL 3.01 -2.55 1 87 LEU -0.66 -2.82 1 88 LEU -7.01 -3.01 1 89 GLN -6.68 -4.13 1 90 ALA -5.03 -3.58 1 91 ASN -1.06 0.58 1 92 VAL 0.82 -0.33 1 93 THR 5.61 -0.03 1 94 ALA 1.91 -1.23 1 95 ASN 1.62 -1.21 1 96 ASP -1.15 -1.47 1 97 ALA 3.79 3.36 1 98 GLN 4.48 1.56 1 99 ASP 3.93 1.11 1 100 VAL 4.95 1.84 1 101 ALA 3.65 2.21 1 102 LEU 4.37 1.30 1 103 LEU 5.06 -0.36 1 104 LYS 3.47 3.24 1 105 HIS 2.21 1.97 1 106 LEU -2.02 -2.62 1 107 ASN 2.96 -1.63 1 108 VAL 0.52 -1.21 1 109 LEU 0.08 -1.38 1 113 THR -0.94 -4.82 1 114 ILE -2.22 -2.14 1 115 LEU -3.84 -3.25 1 116 PHE -3.51 -2.44 1 117 PHE -4.48 0.06 1 118 ASP -3.27 0.56 1 120 GLN -0.17 -0.19 1 122 GLN -1.47 -0.52 1 126 GLN 4.14 -0.27 1 127 ALA -2.19 -2.52 1 128 ARG 1.11 0.57 1 129 VAL -1.39 -0.21 1 130 THR -0.83 -1.53 1 132 PHE 3.34 -1.86 1 133 MET -5.94 -4.78 1 134 ASP -0.87 -2.39 1 135 ALA 4.22 1.60 1 136 GLU 3.54 2.35 1 137 THR 6.51 1.77 1 138 PHE 2.79 1.11 1 139 SER 6.30 1.52 1 140 ALA 4.07 -0.01 1 141 HIS 3.38 2.99 1 142 LEU 3.60 1.13 1 143 ARG 3.85 1.36 1 144 ASP 1.22 0.93 1 stop_ save_