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 bmr17900_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.70 _LACS_plot.Line_1_terminator_val_y_1 -3.08 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.72 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.06 _LACS_plot.Line_2_terminator_val_x_2 6.54 _LACS_plot.Line_2_terminator_val_y_2 4.75 _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 83 GLU -9.70 -2.23 0 120 SER 0.44 4.25 0 10 TYR -4.86 -1.22 1 11 LEU -1.37 -1.09 1 12 LEU -3.29 -0.89 1 13 ASN -1.56 -0.45 1 14 ALA -2.33 -1.08 1 15 THR 1.83 1.30 1 18 ASN 4.21 3.57 1 19 ILE 3.84 2.45 1 20 LEU 3.49 2.33 1 21 TRP -0.50 1.19 1 22 SER 5.50 4.05 1 23 ALA 3.05 2.52 1 24 ILE 0.50 0.65 1 25 SER -2.69 -0.32 1 26 THR -3.18 -2.32 1 28 THR 4.61 3.26 1 30 LEU 1.66 2.85 1 31 GLU 1.18 0.78 1 32 ASP 0.64 1.38 1 33 TRP 0.39 0.44 1 34 PHE 0.57 2.39 1 35 ALA -4.57 -2.05 1 36 ASP 1.75 2.28 1 37 LYS -3.85 -1.32 1 38 VAL -2.02 -1.21 1 39 VAL -3.74 -1.86 1 40 SER -4.16 -2.08 1 41 ASP -1.02 -1.03 1 42 ASP 4.39 2.84 1 43 LYS 0.25 1.23 1 44 THR -1.33 -0.10 1 45 VAL -2.37 -1.56 1 46 THR 1.24 0.75 1 47 PHE -3.26 -0.77 1 52 THR -0.25 0.33 1 53 GLU -0.82 0.23 1 54 GLN -3.84 -1.10 1 55 ARG -3.97 0.78 1 56 GLN -3.87 -0.64 1 57 ALA -6.74 -1.99 1 59 ILE 1.98 1.25 1 60 VAL 0.71 0.75 1 61 ALA -3.49 -0.28 1 62 ILE -3.87 -0.88 1 63 ARG -2.38 -1.12 1 64 ALA 2.10 0.85 1 65 TYR 4.52 0.96 1 66 SER 0.10 0.59 1 67 PHE -3.12 -0.68 1 68 ILE -4.92 -0.66 1 69 ARG -5.47 -1.54 1 70 PHE -6.66 -1.97 1 71 HIS -3.48 -1.08 1 72 TRP -1.81 0.03 1 73 LEU 4.34 2.43 1 74 ASP -0.20 -1.13 1 75 ASP -0.17 0.12 1 76 GLU 1.48 1.43 1 77 ASN -0.10 -0.98 1 78 GLU 2.37 2.17 1 79 ARG 0.94 0.03 1 80 ASP 1.74 0.64 1 81 TYR -1.25 -0.82 1 82 PHE -2.95 -1.22 1 84 ILE -0.66 0.14 1 85 LYS -6.15 -2.28 1 86 MET -7.30 -1.83 1 87 SER -1.98 -0.62 1 88 TYR -2.74 -1.17 1 89 ASN -1.03 -1.69 1 90 GLU 2.19 1.74 1 91 LEU 2.50 1.88 1 92 THR -0.63 -0.75 1 94 ASP -1.93 -0.83 1 95 TYR -1.90 0.08 1 96 VAL -1.41 -1.00 1 97 LEU -6.08 -2.77 1 98 GLU -6.09 -2.23 1 99 ILE -4.37 -3.47 1 100 THR -1.62 -0.50 1 101 ASP -5.48 -1.83 1 102 PHE -4.91 -0.77 1 103 SER -4.55 -1.23 1 104 GLU 1.71 1.38 1 105 ALA 4.31 3.66 1 106 ASP 2.90 1.73 1 107 GLU -2.32 -1.02 1 108 ALA 3.86 3.38 1 109 ASP 5.10 3.58 1 110 ASP 4.00 2.93 1 111 LEU 3.10 2.43 1 112 LYS 5.18 4.34 1 113 GLU 3.49 2.94 1 114 LEU 4.56 3.14 1 115 TRP 4.25 4.15 1 116 ASP 4.35 3.78 1 117 SER 4.20 3.10 1 118 GLN 4.60 3.59 1 119 VAL 6.55 4.50 1 121 LYS 4.25 3.71 1 122 LEU 4.90 2.48 1 123 ARG 4.80 4.03 1 124 ARG 3.38 2.43 1 125 THR 4.19 3.71 1 128 PHE 0.30 0.28 1 129 LEU -0.11 0.18 1 130 GLU -0.17 0.28 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17900_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.70 _LACS_plot.Line_1_terminator_val_y_1 6.62 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.94 _LACS_plot.Line_2_terminator_val_x_2 6.54 _LACS_plot.Line_2_terminator_val_y_2 -1.79 _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 83 GLU -9.70 7.47 0 120 SER 0.44 3.81 0 10 TYR -4.86 3.64 1 11 LEU -1.37 0.28 1 12 LEU -3.29 2.40 1 13 ASN -1.56 1.11 1 14 ALA -2.33 1.25 1 15 THR 1.83 -0.53 1 18 ASN 4.21 -0.64 1 19 ILE 3.84 -1.39 1 20 LEU 3.49 -1.16 1 21 TRP -0.50 1.69 1 22 SER 5.50 -1.45 1 23 ALA 3.05 -0.53 1 24 ILE 0.50 0.15 1 25 SER -2.69 2.37 1 26 THR -3.18 0.86 1 28 THR 4.61 -1.35 1 30 LEU 1.66 1.19 1 31 GLU 1.18 -0.40 1 32 ASP 0.64 0.74 1 33 TRP 0.39 0.05 1 34 PHE 0.57 1.82 1 35 ALA -4.57 2.52 1 36 ASP 1.75 0.53 1 37 LYS -3.85 2.53 1 38 VAL -2.02 0.81 1 39 VAL -3.74 1.88 1 40 SER -4.16 2.08 1 41 ASP -1.02 -0.01 1 42 ASP 4.39 -1.55 1 43 LYS 0.25 0.98 1 44 THR -1.33 1.23 1 45 VAL -2.37 0.81 1 46 THR 1.24 -0.49 1 47 PHE -3.26 2.49 1 52 THR -0.25 0.58 1 53 GLU -0.82 1.05 1 54 GLN -3.84 2.74 1 55 ARG -3.97 4.75 1 56 GLN -3.87 3.23 1 57 ALA -6.74 4.75 1 59 ILE 1.98 -0.73 1 60 VAL 0.71 0.04 1 61 ALA -3.49 3.21 1 62 ILE -3.87 2.99 1 63 ARG -2.38 1.26 1 64 ALA 2.10 -1.25 1 65 TYR 4.52 -3.56 1 66 SER 0.10 0.49 1 67 PHE -3.12 2.44 1 68 ILE -4.92 4.26 1 69 ARG -5.47 3.93 1 70 PHE -6.66 4.69 1 71 HIS -3.48 2.40 1 72 TRP -1.81 1.84 1 73 LEU 4.34 -1.91 1 74 ASP -0.20 -0.93 1 75 ASP -0.17 0.29 1 76 GLU 1.48 -0.05 1 77 ASN -0.10 -0.88 1 78 GLU 2.37 -0.20 1 79 ARG 0.94 -0.91 1 80 ASP 1.74 -1.10 1 81 TYR -1.25 0.43 1 82 PHE -2.95 1.73 1 84 ILE -0.66 0.80 1 85 LYS -6.15 3.87 1 86 MET -7.30 5.47 1 87 SER -1.98 1.36 1 88 TYR -2.74 1.57 1 89 ASN -1.03 -0.66 1 90 GLU 2.19 -0.45 1 91 LEU 2.50 -0.62 1 92 THR -0.63 -0.12 1 94 ASP -1.93 1.10 1 95 TYR -1.90 1.98 1 96 VAL -1.41 0.41 1 97 LEU -6.08 3.31 1 98 GLU -6.09 3.86 1 99 ILE -4.37 0.90 1 100 THR -1.62 1.12 1 101 ASP -5.48 3.65 1 102 PHE -4.91 4.14 1 103 SER -4.55 3.32 1 104 GLU 1.71 -0.33 1 105 ALA 4.31 -0.65 1 106 ASP 2.90 -1.17 1 107 GLU -2.32 1.30 1 108 ALA 3.86 -0.48 1 109 ASP 5.10 -1.52 1 110 ASP 4.00 -1.07 1 111 LEU 3.10 -0.67 1 112 LYS 5.18 -0.84 1 113 GLU 3.49 -0.55 1 114 LEU 4.56 -1.42 1 115 TRP 4.25 -0.10 1 116 ASP 4.35 -0.57 1 117 SER 4.20 -1.10 1 118 GLN 4.60 -1.01 1 119 VAL 6.55 -2.05 1 121 LYS 4.25 -0.54 1 122 LEU 4.90 -2.42 1 123 ARG 4.80 -0.77 1 124 ARG 3.38 -0.95 1 125 THR 4.19 -0.48 1 128 PHE 0.30 -0.02 1 129 LEU -0.11 0.29 1 130 GLU -0.17 0.45 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17900_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.70 _LACS_plot.Line_1_terminator_val_y_1 1.20 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.04 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.31 _LACS_plot.Line_2_terminator_val_x_2 6.54 _LACS_plot.Line_2_terminator_val_y_2 -0.45 _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 64 ALA 2.10 -1.31 0 65 TYR 4.52 -1.55 0 10 TYR -4.86 0.12 1 11 LEU -1.37 0.81 1 12 LEU -3.29 0.40 1 13 ASN -1.56 0.54 1 14 ALA -2.33 0.30 1 15 THR 1.83 -0.09 1 18 ASN 4.21 -0.07 1 19 ILE 3.84 -0.33 1 20 LEU 3.49 -0.27 1 21 TRP -0.50 0.17 1 22 SER 5.50 -0.39 1 23 ALA 3.05 -0.28 1 24 ILE 0.50 0.68 1 25 SER -2.69 0.04 1 26 THR -3.18 0.16 1 28 THR 4.61 -0.39 1 30 LEU 1.66 -0.13 1 31 GLU 1.18 0.17 1 32 ASP 0.64 0.29 1 33 TRP 0.39 0.17 1 34 PHE 0.57 -0.93 1 35 ALA -4.57 -0.16 1 36 ASP 1.75 -0.08 1 37 LYS -3.85 0.37 1 38 VAL -2.02 0.51 1 39 VAL -3.74 0.21 1 40 SER -4.16 0.73 1 41 ASP -1.02 0.13 1 42 ASP 4.39 -0.50 1 43 LYS 0.25 0.18 1 44 THR -1.33 0.62 1 45 VAL -2.37 0.42 1 46 THR 1.24 0.19 1 47 PHE -3.26 -0.09 1 52 THR -0.25 0.21 1 53 GLU -0.82 0.27 1 54 GLN -3.84 1.32 1 55 ARG -3.97 0.37 1 56 GLN -3.87 1.42 1 57 ALA -6.74 1.29 1 59 ILE 1.98 -0.16 1 60 VAL 0.71 -0.08 1 61 ALA -3.49 0.19 1 62 ILE -3.87 0.22 1 66 SER 0.10 0.69 1 67 PHE -3.12 1.50 1 68 ILE -4.92 0.50 1 69 ARG -5.47 0.91 1 70 PHE -6.66 0.85 1 71 HIS -3.48 0.50 1 72 TRP -1.81 0.51 1 73 LEU 4.34 0.52 1 74 ASP -0.20 -0.07 1 75 ASP -0.17 -0.07 1 76 GLU 1.48 -0.17 1 77 ASN -0.10 0.07 1 78 GLU 2.37 -0.50 1 79 ARG 0.94 -0.11 1 80 ASP 1.74 -0.89 1 81 TYR -1.25 1.07 1 82 PHE -2.95 1.29 1 83 GLU -9.70 1.31 1 84 ILE -0.66 0.51 1 85 LYS -6.15 1.40 1 86 MET -7.30 1.45 1 87 SER -1.98 0.41 1 88 TYR -2.74 -0.12 1 89 ASN -1.03 -0.17 1 90 GLU 2.19 -0.76 1 91 LEU 2.50 -0.17 1 92 THR -0.63 -0.05 1 94 ASP -1.93 -0.45 1 95 TYR -1.90 0.56 1 96 VAL -1.41 0.59 1 97 LEU -6.08 1.18 1 98 GLU -6.09 0.95 1 99 ILE -4.37 0.97 1 100 THR -1.62 0.90 1 101 ASP -5.48 0.72 1 102 PHE -4.91 0.86 1 103 SER -4.55 0.28 1 104 GLU 1.71 0.27 1 105 ALA 4.31 -0.28 1 106 ASP 2.90 -0.11 1 107 GLU -2.32 0.35 1 108 ALA 3.86 -0.25 1 109 ASP 5.10 -0.22 1 110 ASP 4.00 -0.31 1 111 LEU 3.10 -0.09 1 112 LYS 5.18 -0.23 1 113 GLU 3.49 -0.27 1 114 LEU 4.56 -0.29 1 115 TRP 4.25 0.14 1 116 ASP 4.35 -0.15 1 117 SER 4.20 -0.12 1 118 GLN 4.60 0.14 1 119 VAL 6.55 -0.63 1 120 SER 0.44 -0.38 1 121 LYS 4.25 -0.12 1 122 LEU 4.90 -0.63 1 123 ARG 4.80 0.46 1 124 ARG 3.38 -0.13 1 125 THR 4.19 -0.20 1 128 PHE 0.30 0.01 1 129 LEU -0.11 -0.06 1 130 GLU -0.17 -0.21 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17900_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.70 _LACS_plot.Line_1_terminator_val_y_1 -3.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.68 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.08 _LACS_plot.Line_2_terminator_val_x_2 6.54 _LACS_plot.Line_2_terminator_val_y_2 2.66 _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 65 TYR 4.52 -3.62 0 10 TYR -4.86 -1.87 1 11 LEU -1.37 -0.64 1 13 ASN -1.56 -1.17 1 14 ALA -2.33 -0.72 1 18 ASN 4.21 2.76 1 19 ILE 3.84 1.44 1 20 LEU 3.49 -0.34 1 21 TRP -0.50 4.26 1 22 SER 5.50 1.66 1 23 ALA 3.05 0.74 1 24 ILE 0.50 -2.48 1 25 SER -2.69 -0.33 1 28 THR 4.61 2.20 1 30 LEU 1.66 2.76 1 31 GLU 1.18 0.19 1 32 ASP 0.64 0.08 1 33 TRP 0.39 -3.59 1 34 PHE 0.57 -1.18 1 35 ALA -4.57 -3.47 1 36 ASP 1.75 0.84 1 37 LYS -3.85 -2.51 1 38 VAL -2.02 -1.97 1 39 VAL -3.74 -1.62 1 40 SER -4.16 -0.74 1 41 ASP -1.02 -0.33 1 42 ASP 4.39 -0.92 1 43 LYS 0.25 -0.63 1 44 THR -1.33 -1.43 1 45 VAL -2.37 -1.92 1 46 THR 1.24 -2.07 1 47 PHE -3.26 -1.59 1 52 THR -0.25 -0.02 1 53 GLU -0.82 -0.36 1 54 GLN -3.84 -1.09 1 55 ARG -3.97 -1.74 1 56 GLN -3.87 -0.38 1 57 ALA -6.74 -2.01 1 59 ILE 1.98 0.27 1 60 VAL 0.71 -0.10 1 61 ALA -3.49 -3.94 1 62 ILE -3.87 -2.95 1 64 ALA 2.10 -1.36 1 66 SER 0.10 -1.74 1 67 PHE -3.12 -4.11 1 68 ILE -4.92 -5.12 1 69 ARG -5.47 -2.68 1 70 PHE -6.66 -1.01 1 71 HIS -3.48 0.87 1 72 TRP -1.81 2.03 1 73 LEU 4.34 0.53 1 74 ASP -0.20 -0.57 1 75 ASP -0.17 1.01 1 76 GLU 1.48 -0.05 1 77 ASN -0.10 0.77 1 78 GLU 2.37 -0.28 1 79 ARG 0.94 0.84 1 80 ASP 1.74 -0.86 1 81 TYR -1.25 -1.75 1 82 PHE -2.95 -1.77 1 83 GLU -9.70 -3.21 1 84 ILE -0.66 -2.60 1 85 LYS -6.15 -2.33 1 86 MET -7.30 -1.33 1 87 SER -1.98 -2.32 1 88 TYR -2.74 -1.69 1 89 ASN -1.03 -1.28 1 90 GLU 2.19 1.18 1 91 LEU 2.50 1.18 1 92 THR -0.63 1.56 1 94 ASP -1.93 -2.15 1 95 TYR -1.90 -0.87 1 96 VAL -1.41 -0.86 1 97 LEU -6.08 -1.87 1 98 GLU -6.09 -1.22 1 99 ILE -4.37 -0.26 1 100 THR -1.62 -2.42 1 101 ASP -5.48 -2.74 1 102 PHE -4.91 -0.77 1 103 SER -4.55 0.55 1 104 GLU 1.71 3.35 1 105 ALA 4.31 2.15 1 106 ASP 2.90 0.25 1 107 GLU -2.32 -0.16 1 108 ALA 3.86 1.57 1 109 ASP 5.10 2.66 1 110 ASP 4.00 2.42 1 111 LEU 3.10 1.06 1 112 LYS 5.18 1.12 1 113 GLU 3.49 2.86 1 114 LEU 4.56 2.12 1 115 TRP 4.25 3.21 1 116 ASP 4.35 3.83 1 117 SER 4.20 2.89 1 118 GLN 4.60 3.31 1 119 VAL 6.55 1.78 1 120 SER 0.44 2.77 1 121 LYS 4.25 2.77 1 122 LEU 4.90 0.89 1 123 ARG 4.80 2.54 1 124 ARG 3.38 2.30 1 125 THR 4.19 1.51 1 128 PHE 0.30 0.05 1 129 LEU -0.11 -0.46 1 stop_ save_