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 bmr5606_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.43 _LACS_plot.Line_1_terminator_val_y_1 -2.77 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.80 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.16 _LACS_plot.Line_2_terminator_val_x_2 8.90 _LACS_plot.Line_2_terminator_val_y_2 6.86 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 125 ALA -7.42 -1.64 0 96 PHE 8.90 7.94 0 104 PHE -3.76 1.38 0 112 VAL -0.50 -2.60 0 10 LYS 1.43 0.78 1 11 ALA -2.86 -0.66 1 13 ALA 0.73 0.40 1 14 ALA 0.73 -0.11 1 15 ILE 0.62 -0.56 1 18 TYR -2.29 -0.92 1 19 VAL -5.36 -3.19 1 20 GLN 6.30 5.00 1 21 ALA -5.36 -0.92 1 22 VAL -4.34 -2.17 1 23 ASP -2.91 -1.30 1 24 LEU -0.47 -0.67 1 26 ASN 1.30 1.40 1 27 LEU -6.59 -1.18 1 28 VAL -2.81 -0.64 1 29 LEU -0.98 -0.67 1 30 THR -2.70 -0.75 1 31 SER 1.42 2.75 1 33 GLN -2.83 -1.52 1 34 ILE -0.14 0.31 1 36 VAL -2.81 -1.15 1 37 ASN -1.40 -0.44 1 39 ALA 1.53 1.93 1 40 THR -2.70 -0.75 1 42 GLU -2.76 -0.64 1 43 VAL -2.75 -0.79 1 46 ASP -2.91 -0.28 1 47 ILE 0.11 -0.05 1 48 VAL 7.88 5.98 1 49 ALA 2.77 2.44 1 50 GLN 6.30 5.35 1 51 ALA 5.32 3.97 1 52 ARG 4.12 2.18 1 53 GLN 2.73 2.80 1 54 SER 6.01 5.81 1 55 LEU 6.65 3.40 1 56 GLU 3.86 2.41 1 57 ASN 4.65 3.37 1 58 VAL 6.86 5.98 1 59 LYS 3.73 4.17 1 60 ALA 2.77 2.44 1 61 ILE 4.19 4.54 1 62 ILE 4.70 2.50 1 63 GLU 2.84 2.41 1 64 LYS 3.39 0.78 1 65 ALA 0.22 -0.11 1 67 LEU -4.55 -2.71 1 68 THR -5.76 -1.77 1 69 ALA 3.28 1.93 1 70 ALA 2.26 1.93 1 71 ASP -0.36 0.74 1 72 ILE 3.17 2.50 1 73 VAL -1.28 -1.15 1 74 LYS -3.63 -1.15 1 75 THR -4.74 -2.28 1 76 THR 1.89 1.80 1 77 VAL -1.28 -1.15 1 78 PHE -3.33 -2.25 1 79 VAL -4.34 -3.19 1 80 LYS -0.35 -0.75 1 81 ASP -3.42 -1.30 1 82 LEU 3.19 2.39 1 83 ASN 4.65 3.37 1 84 ASP -0.36 0.74 1 85 PHE 3.29 3.86 1 86 ALA 5.83 3.97 1 87 ALA 2.77 2.44 1 88 VAL 5.84 4.96 1 89 ASN 3.12 2.86 1 90 ALA 3.28 2.44 1 91 GLU 2.33 1.90 1 92 TYR 2.80 3.66 1 93 GLU 3.86 4.45 1 94 ARG 4.95 4.54 1 95 PHE 4.31 4.37 1 97 LYS 4.40 3.32 1 98 GLU 2.33 1.90 1 99 ASN 1.08 1.33 1 100 ASN 3.12 1.33 1 101 HIS 0.66 3.68 1 103 ASN 0.10 0.31 1 106 ALA 2.26 1.93 1 108 SER -0.64 0.20 1 110 VAL -6.29 -3.10 1 111 GLU -3.90 -1.80 1 113 ALA 0.73 2.44 1 114 ARG -0.64 0.98 1 115 LEU -2.74 -1.22 1 117 LYS 4.91 1.79 1 118 ASP 4.73 2.78 1 119 VAL -0.26 -0.13 1 121 LEU -0.98 0.35 1 122 GLU -5.20 -1.70 1 123 ILE -3.45 -0.05 1 124 GLU -4.79 -2.17 1 126 ILE -2.43 -0.05 1 127 ALA -7.43 -2.66 1 128 VAL -5.87 -2.68 1 129 ARG -2.62 -1.00 1 130 LYS 1.90 2.40 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5606_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.43 _LACS_plot.Line_1_terminator_val_y_1 4.66 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.84 _LACS_plot.Line_2_terminator_val_x_2 8.90 _LACS_plot.Line_2_terminator_val_y_2 -2.04 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 125 ALA -7.42 5.78 0 96 PHE 8.90 -0.96 0 104 PHE -3.76 5.14 0 112 VAL -0.50 -2.10 0 10 LYS 1.43 -0.65 1 11 ALA -2.86 2.20 1 13 ALA 0.73 -0.33 1 14 ALA 0.73 -0.84 1 15 ILE 0.62 -1.18 1 18 TYR -2.29 1.37 1 19 VAL -5.36 2.17 1 20 GLN 6.30 -1.30 1 21 ALA -5.36 4.44 1 22 VAL -4.34 2.17 1 23 ASP -2.91 1.61 1 24 LEU -0.47 -0.20 1 26 ASN 1.30 0.10 1 27 LEU -6.59 5.41 1 28 VAL -2.81 2.17 1 29 LEU -0.98 0.31 1 30 THR -2.70 1.95 1 31 SER 1.42 1.33 1 33 GLN -2.83 1.31 1 34 ILE -0.14 0.45 1 36 VAL -2.81 1.66 1 37 ASN -1.40 0.96 1 39 ALA 1.53 0.40 1 40 THR -2.70 1.95 1 42 GLU -2.76 2.12 1 43 VAL -2.75 1.96 1 46 ASP -2.91 2.63 1 47 ILE 0.11 -0.16 1 48 VAL 7.88 -1.90 1 49 ALA 2.77 -0.33 1 50 GLN 6.30 -0.95 1 51 ALA 5.32 -1.35 1 52 ARG 4.12 -1.94 1 53 GLN 2.73 0.07 1 54 SER 6.01 -0.20 1 55 LEU 6.65 -3.25 1 56 GLU 3.86 -1.45 1 57 ASN 4.65 -1.28 1 58 VAL 6.86 -0.88 1 59 LYS 3.73 0.44 1 60 ALA 2.77 -0.33 1 61 ILE 4.19 0.35 1 62 ILE 4.70 -2.20 1 63 GLU 2.84 -0.43 1 64 LYS 3.39 -2.61 1 65 ALA 0.22 -0.33 1 67 LEU -4.55 1.84 1 68 THR -5.76 3.99 1 69 ALA 3.28 -1.35 1 70 ALA 2.26 -0.33 1 71 ASP -0.36 1.10 1 72 ILE 3.17 -0.67 1 73 VAL -1.28 0.13 1 74 LYS -3.63 2.48 1 75 THR -4.74 2.46 1 76 THR 1.89 -0.09 1 77 VAL -1.28 0.13 1 78 PHE -3.33 1.08 1 79 VAL -4.34 1.15 1 80 LYS -0.35 -0.40 1 81 ASP -3.42 2.12 1 82 LEU 3.19 -0.80 1 83 ASN 4.65 -1.28 1 84 ASP -0.36 1.10 1 85 PHE 3.29 0.57 1 86 ALA 5.83 -1.86 1 87 ALA 2.77 -0.33 1 88 VAL 5.84 -0.88 1 89 ASN 3.12 -0.26 1 90 ALA 3.28 -0.84 1 91 GLU 2.33 -0.43 1 92 TYR 2.80 0.86 1 93 GLU 3.86 0.59 1 94 ARG 4.95 -0.41 1 95 PHE 4.31 0.06 1 97 LYS 4.40 -1.08 1 98 GLU 2.33 -0.43 1 99 ASN 1.08 0.25 1 100 ASN 3.12 -1.79 1 101 HIS 0.66 3.02 1 103 ASN 0.10 0.21 1 106 ALA 2.26 -0.33 1 108 SER -0.64 0.84 1 110 VAL -6.29 3.19 1 111 GLU -3.90 2.10 1 113 ALA 0.73 1.71 1 114 ARG -0.64 1.62 1 115 LEU -2.74 1.52 1 117 LYS 4.91 -3.12 1 118 ASP 4.73 -1.95 1 119 VAL -0.26 0.13 1 121 LEU -0.98 1.33 1 122 GLU -5.20 3.50 1 123 ILE -3.45 3.40 1 124 GLU -4.79 2.62 1 126 ILE -2.43 2.38 1 127 ALA -7.43 4.77 1 128 VAL -5.87 3.19 1 129 ARG -2.62 1.62 1 130 LYS 1.90 0.50 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5606_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.43 _LACS_plot.Line_1_terminator_val_y_1 1.01 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.06 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.38 _LACS_plot.Line_2_terminator_val_x_2 8.90 _LACS_plot.Line_2_terminator_val_y_2 -0.78 _LACS_plot.Y_axis_chem_shift_offset -0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 123 ILE -3.45 1.32 0 110 VAL -6.29 0.23 0 10 LYS 1.43 -0.13 1 11 ALA -2.86 0.10 1 13 ALA 0.73 -0.10 1 14 ALA 0.73 -0.17 1 15 ILE 0.62 0.18 1 18 TYR -2.29 0.20 1 19 VAL -5.36 0.63 1 20 GLN 6.30 -0.05 1 21 ALA -5.36 0.63 1 22 VAL -4.34 0.90 1 23 ASP -2.91 0.45 1 24 LEU -0.47 0.61 1 26 ASN 1.30 0.35 1 27 LEU -6.59 0.95 1 28 VAL -2.81 0.83 1 29 LEU -0.98 0.81 1 30 THR -2.70 0.80 1 31 SER 1.42 0.15 1 33 GLN -2.83 0.45 1 34 ILE -0.14 -0.38 1 36 VAL -2.81 -0.13 1 37 ASN -1.40 -0.26 1 39 ALA 1.53 0.10 1 40 THR -2.70 0.25 1 42 GLU -2.76 0.14 1 43 VAL -2.75 0.65 1 46 ASP -2.91 0.11 1 47 ILE 0.11 -0.08 1 48 VAL 7.88 -0.68 1 49 ALA 2.77 -0.10 1 50 GLN 6.30 -0.32 1 51 ALA 5.32 -0.30 1 52 ARG 4.12 -0.39 1 53 GLN 2.73 -0.32 1 54 SER 6.01 -0.37 1 55 LEU 6.65 -0.79 1 56 GLU 3.86 -0.20 1 57 ASN 4.65 0.01 1 58 VAL 6.86 -0.63 1 59 LYS 3.73 -0.63 1 60 ALA 2.77 -0.10 1 61 ILE 4.19 -0.77 1 62 ILE 4.70 -0.55 1 63 GLU 2.84 0.44 1 64 LYS 3.39 0.09 1 65 ALA 0.22 0.10 1 67 LEU -4.55 0.57 1 68 THR -5.76 0.65 1 69 ALA 3.28 -0.17 1 70 ALA 2.26 -0.30 1 71 ASP -0.36 0.05 1 72 ILE 3.17 0.05 1 73 VAL -1.28 0.97 1 74 LYS -3.63 1.23 1 75 THR -4.74 1.27 1 76 THR 1.89 0.27 1 77 VAL -1.28 0.30 1 78 PHE -3.33 0.60 1 79 VAL -4.34 1.17 1 80 LYS -0.35 0.23 1 81 ASP -3.42 0.11 1 82 LEU 3.19 -0.32 1 83 ASN 4.65 -0.05 1 84 ASP -0.36 0.47 1 85 PHE 3.29 -0.47 1 86 ALA 5.83 -0.23 1 87 ALA 2.77 -0.10 1 88 VAL 5.84 -0.83 1 89 ASN 3.12 -0.79 1 90 ALA 3.28 0.03 1 91 GLU 2.33 0.07 1 92 TYR 2.80 -0.45 1 93 GLU 3.86 -0.13 1 94 ARG 4.95 -0.25 1 96 PHE 8.90 -0.67 1 97 LYS 4.40 0.03 1 98 GLU 2.33 -0.26 1 99 ASN 1.08 -0.11 1 100 ASN 3.12 -0.39 1 101 HIS 0.66 -0.31 1 103 ASN 0.10 -0.52 1 106 ALA 2.26 0.37 1 108 SER -0.64 0.25 1 111 GLU -3.90 1.07 1 113 ALA 0.73 -0.10 1 114 ARG -0.64 -0.21 1 115 LEU -2.74 0.06 1 117 LYS 4.91 -0.57 1 118 ASP 4.73 0.05 1 119 VAL -0.26 0.17 1 121 LEU -0.98 0.96 1 122 GLU -5.20 0.65 1 124 GLU -4.79 0.54 1 125 ALA -7.42 1.33 1 126 ILE -2.43 0.98 1 127 ALA -7.43 1.33 1 128 VAL -5.87 0.97 1 129 ARG -2.62 0.17 1 130 LYS 1.90 -0.10 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5606_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.43 _LACS_plot.Line_1_terminator_val_y_1 -1.17 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.04 _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 8.90 _LACS_plot.Line_2_terminator_val_y_2 2.39 _LACS_plot.Y_axis_chem_shift_offset -0.59 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 63 GLU 2.84 4.70 0 121 LEU -0.98 -3.20 0 68 THR -5.76 2.40 0 10 LYS 1.43 -1.80 1 13 ALA 0.73 0.40 1 14 ALA 0.73 -0.70 1 15 ILE 0.62 -0.15 1 18 TYR -2.29 -2.30 1 19 VAL -5.36 0.85 1 20 GLN 6.30 1.85 1 21 ALA -5.36 -2.10 1 22 VAL -4.34 -1.15 1 23 ASP -2.91 0.50 1 24 LEU -0.47 0.70 1 26 ASN 1.30 0.50 1 27 LEU -6.59 -1.40 1 29 LEU -0.98 2.30 1 30 THR -2.70 2.40 1 31 SER 1.42 3.20 1 33 GLN -2.83 1.35 1 36 VAL -2.81 0.55 1 39 ALA 1.53 1.50 1 40 THR -2.70 2.50 1 42 GLU -2.76 0.00 1 46 ASP -2.91 1.80 1 47 ILE 0.11 0.50 1 48 VAL 7.88 1.90 1 49 ALA 2.77 3.60 1 50 GLN 6.30 2.40 1 51 ALA 5.32 0.95 1 52 ARG 4.12 1.50 1 53 GLN 2.73 2.90 1 54 SER 6.01 2.35 1 55 LEU 6.65 1.00 1 56 GLU 3.86 2.90 1 57 ASN 4.65 2.40 1 58 VAL 6.86 1.55 1 59 LYS 3.73 0.80 1 60 ALA 2.77 2.70 1 62 ILE 4.70 2.30 1 64 LYS 3.39 1.50 1 65 ALA 0.22 -0.60 1 67 LEU -4.55 -1.65 1 69 ALA 3.28 0.70 1 70 ALA 2.26 -0.80 1 71 ASP -0.36 0.65 1 72 ILE 3.17 0.25 1 74 LYS -3.63 -0.80 1 75 THR -4.74 1.80 1 76 THR 1.89 -0.40 1 77 VAL -1.28 -1.50 1 78 PHE -3.33 1.00 1 79 VAL -4.34 -0.40 1 80 LYS -0.35 0.20 1 81 ASP -3.42 2.00 1 82 LEU 3.19 1.90 1 84 ASP -0.36 1.00 1 85 PHE 3.29 1.40 1 86 ALA 5.83 2.50 1 87 ALA 2.77 2.40 1 88 VAL 5.84 1.60 1 89 ASN 3.12 2.70 1 90 ALA 3.28 2.25 1 91 GLU 2.33 1.30 1 93 GLU 3.86 1.50 1 94 ARG 4.95 2.20 1 95 PHE 4.31 2.85 1 96 PHE 8.90 2.10 1 97 LYS 4.40 4.30 1 98 GLU 2.33 0.30 1 99 ASN 1.08 -0.60 1 100 ASN 3.12 0.50 1 103 ASN 0.10 -1.70 1 106 ALA 2.26 -0.50 1 110 VAL -6.29 -1.60 1 113 ALA 0.73 0.00 1 114 ARG -0.64 -2.10 1 117 LYS 4.91 -0.40 1 118 ASP 4.73 0.80 1 119 VAL -0.26 0.30 1 122 GLU -5.20 -0.90 1 123 ILE -3.45 -0.30 1 124 GLU -4.79 -0.17 1 125 ALA -7.42 -1.15 1 126 ILE -2.43 -0.20 1 127 ALA -7.43 -2.00 1 128 VAL -5.87 -2.10 1 129 ARG -2.62 -0.10 1 130 LYS 1.90 -1.60 1 stop_ save_