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 bmr27307_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.06 _LACS_plot.Line_1_terminator_val_y_1 -2.38 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.62 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.20 _LACS_plot.Line_2_terminator_val_x_2 7.88 _LACS_plot.Line_2_terminator_val_y_2 6.10 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 13 ARG 1.13 -1.52 0 28 LEU -7.06 -1.00 0 10 GLU -1.02 -0.72 1 11 ARG -1.17 -0.55 1 12 LEU -1.56 -0.42 1 15 ARG 5.20 3.84 1 16 ARG 0.78 1.66 1 17 ASP 0.81 2.24 1 18 PHE 4.52 4.42 1 19 LEU 4.25 3.30 1 20 LEU 3.85 3.08 1 21 ILE 5.43 4.82 1 22 PHE 4.13 4.09 1 23 LYS 2.87 3.78 1 24 GLU -1.78 -0.12 1 26 LYS -3.36 -1.06 1 27 SER -4.89 -1.83 1 29 GLN -4.33 -1.15 1 30 ASN -1.39 -1.31 1 31 GLU 3.72 2.64 1 32 TYR -5.03 -1.95 1 33 PHE -5.35 -0.22 1 34 VAL -1.54 0.07 1 35 VAL -4.06 -2.17 1 36 LEU -5.06 -2.55 1 37 PHE -4.60 -2.42 1 38 ARG -5.91 -1.52 1 39 LYS 2.38 1.67 1 40 ASN -2.90 -1.13 1 42 LEU -3.06 -2.40 1 43 ASP -0.17 -0.99 1 44 TYR -4.04 -2.84 1 45 SER -1.22 0.06 1 46 ARG -5.03 -0.88 1 47 LEU -4.25 -1.53 1 49 ILE -3.36 -0.97 1 50 VAL -1.30 -0.73 1 51 VAL -1.28 -1.79 1 52 LYS 1.81 1.40 1 53 ARG 4.37 3.42 1 54 LYS 2.00 0.42 1 55 PHE 2.14 3.61 1 57 LYS 0.22 0.21 1 58 ALA 5.00 4.26 1 59 THR 5.28 3.57 1 60 ARG 3.08 3.12 1 61 ARG 5.58 4.60 1 62 ASN 3.92 2.65 1 63 LYS 4.69 3.59 1 64 LEU 4.74 2.17 1 65 LYS 5.74 5.03 1 66 ARG 4.97 3.88 1 67 TRP 2.07 1.79 1 68 VAL 7.13 5.40 1 69 ARG 5.39 4.48 1 70 GLU 3.03 2.74 1 71 ILE 5.44 4.42 1 72 PHE 2.68 3.67 1 73 ARG 3.90 3.66 1 74 ARG 1.39 1.66 1 75 ASN -1.37 -0.19 1 76 LYS 4.38 3.49 1 78 VAL -0.81 -1.28 1 79 ILE -0.79 0.03 1 81 LYS -0.54 0.57 1 83 PHE -3.49 -0.42 1 84 ASP -1.08 -0.19 1 85 ILE -3.39 -0.50 1 86 VAL -3.34 -2.17 1 87 VAL -1.33 -0.24 1 88 ILE -4.06 -0.78 1 90 ARG -2.41 -0.35 1 91 LYS 4.37 3.57 1 92 LYS 3.62 3.10 1 93 LEU 3.82 1.98 1 94 SER 3.79 2.56 1 95 GLU 2.10 2.25 1 96 GLU -0.98 -0.68 1 97 PHE 4.57 4.72 1 98 GLU 2.38 1.65 1 99 ARG -0.99 -0.50 1 100 VAL -1.72 -1.13 1 101 ASP -4.63 -2.41 1 102 PHE 3.55 3.23 1 103 TRP 3.65 2.40 1 104 THR 6.35 5.09 1 105 VAL 7.89 5.99 1 106 ARG 5.50 3.84 1 107 GLU 3.14 2.94 1 108 LYS 2.48 1.65 1 109 LEU 2.85 1.82 1 110 LEU 4.45 3.12 1 111 ASN 3.11 3.00 1 112 LEU 1.32 1.53 1 113 LEU 3.21 2.32 1 114 LYS 2.87 2.34 1 115 ARG -0.38 -0.42 1 116 ILE 4.74 2.97 1 117 GLU -3.15 -1.02 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27307_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.06 _LACS_plot.Line_1_terminator_val_y_1 4.68 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.38 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.80 _LACS_plot.Line_2_terminator_val_x_2 7.88 _LACS_plot.Line_2_terminator_val_y_2 -1.78 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 13 ARG 1.13 -2.65 0 28 LEU -7.06 6.06 0 10 GLU -1.02 0.30 1 11 ARG -1.17 0.62 1 12 LEU -1.56 1.14 1 15 ARG 5.20 -1.36 1 16 ARG 0.78 0.88 1 17 ASP 0.81 1.43 1 18 PHE 4.52 -0.10 1 19 LEU 4.25 -0.95 1 20 LEU 3.85 -0.77 1 21 ILE 5.43 -0.61 1 22 PHE 4.13 -0.04 1 23 LYS 2.87 0.91 1 24 GLU -1.78 1.66 1 26 LYS -3.36 2.30 1 27 SER -4.89 3.06 1 29 GLN -4.33 3.18 1 30 ASN -1.39 0.08 1 31 GLU 3.72 -1.08 1 32 TYR -5.03 3.08 1 33 PHE -5.35 5.13 1 34 VAL -1.54 1.61 1 35 VAL -4.06 1.89 1 36 LEU -5.06 2.51 1 37 PHE -4.60 2.18 1 38 ARG -5.91 4.39 1 39 LYS 2.38 -0.71 1 40 ASN -2.90 1.77 1 42 LEU -3.06 0.66 1 43 ASP -0.17 -0.82 1 44 TYR -4.04 1.20 1 45 SER -1.22 1.28 1 46 ARG -5.03 4.15 1 47 LEU -4.25 2.72 1 49 ILE -3.36 2.39 1 50 VAL -1.30 0.57 1 51 VAL -1.28 -0.51 1 52 LYS 1.81 -0.41 1 53 ARG 4.37 -0.95 1 54 LYS 2.00 -1.58 1 55 PHE 2.14 1.47 1 57 LYS 0.22 -0.01 1 58 ALA 5.00 -0.74 1 59 THR 5.28 -1.71 1 60 ARG 3.08 0.04 1 61 ARG 5.58 -0.98 1 62 ASN 3.92 -1.27 1 63 LYS 4.69 -1.10 1 64 LEU 4.74 -2.57 1 65 LYS 5.74 -0.71 1 66 ARG 4.97 -1.09 1 67 TRP 2.07 -0.28 1 68 VAL 7.13 -1.73 1 69 ARG 5.39 -0.91 1 70 GLU 3.03 -0.29 1 71 ILE 5.44 -1.02 1 72 PHE 2.68 0.99 1 73 ARG 3.90 -0.24 1 74 ARG 1.39 0.27 1 75 ASN -1.37 1.18 1 76 LYS 4.38 -0.89 1 78 VAL -0.81 -0.47 1 79 ILE -0.79 0.82 1 81 LYS -0.54 1.11 1 83 PHE -3.49 3.07 1 84 ASP -1.08 0.89 1 85 ILE -3.39 2.89 1 86 VAL -3.34 1.17 1 87 VAL -1.33 1.09 1 88 ILE -4.06 3.28 1 90 ARG -2.41 2.06 1 91 LYS 4.37 -0.80 1 92 LYS 3.62 -0.52 1 93 LEU 3.82 -1.84 1 94 SER 3.79 -1.23 1 95 GLU 2.10 0.15 1 96 GLU -0.98 0.30 1 97 PHE 4.57 0.15 1 98 GLU 2.38 -0.73 1 99 ARG -0.99 0.49 1 100 VAL -1.72 0.59 1 101 ASP -4.63 2.22 1 102 PHE 3.55 -0.32 1 103 TRP 3.65 -1.25 1 104 THR 6.35 -1.26 1 105 VAL 7.89 -1.90 1 106 ARG 5.50 -1.66 1 107 GLU 3.14 -0.20 1 108 LYS 2.48 -0.83 1 109 LEU 2.85 -1.03 1 110 LEU 4.45 -1.33 1 111 ASN 3.11 -0.11 1 112 LEU 1.32 0.21 1 113 LEU 3.21 -0.89 1 114 LYS 2.87 -0.53 1 115 ARG -0.38 -0.04 1 116 ILE 4.74 -1.77 1 117 GLU -3.15 2.13 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27307_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.06 _LACS_plot.Line_1_terminator_val_y_1 0.99 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.20 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.34 _LACS_plot.Line_2_terminator_val_x_2 7.88 _LACS_plot.Line_2_terminator_val_y_2 -0.94 _LACS_plot.Y_axis_chem_shift_offset -0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 102 PHE 3.55 -1.93 0 10 GLU -1.02 0.08 1 11 ARG -1.17 0.32 1 12 LEU -1.56 -0.19 1 13 ARG 1.13 0.32 1 15 ARG 5.20 -0.33 1 16 ARG 0.78 0.10 1 17 ASP 0.81 0.23 1 18 PHE 4.52 -0.47 1 19 LEU 4.25 -0.70 1 20 LEU 3.85 -0.40 1 21 ILE 5.43 -0.92 1 22 PHE 4.13 -0.94 1 23 LYS 2.87 -0.44 1 24 GLU -1.78 0.16 1 26 LYS -3.36 0.03 1 27 SER -4.89 1.36 1 28 LEU -7.06 0.46 1 29 GLN -4.33 1.29 1 30 ASN -1.39 0.09 1 31 GLU 3.72 -0.27 1 32 TYR -5.03 0.24 1 33 PHE -5.35 0.86 1 34 VAL -1.54 0.53 1 35 VAL -4.06 1.16 1 36 LEU -5.06 1.13 1 37 PHE -4.60 1.61 1 38 ARG -5.91 0.65 1 39 LYS 2.38 -0.19 1 40 ASN -2.90 -0.10 1 42 LEU -3.06 0.24 1 43 ASP -0.17 0.04 1 44 TYR -4.04 0.45 1 45 SER -1.22 0.95 1 46 ARG -5.03 0.72 1 47 LEU -4.25 0.95 1 49 ILE -3.36 0.82 1 50 VAL -1.30 -0.14 1 51 VAL -1.28 -0.08 1 52 LYS 1.81 -0.09 1 53 ARG 4.37 -0.46 1 54 LYS 2.00 -0.22 1 55 PHE 2.14 -0.71 1 57 LYS 0.22 0.08 1 58 ALA 5.00 -0.50 1 59 THR 5.28 -0.32 1 60 ARG 3.08 -0.21 1 61 ARG 5.58 -0.74 1 62 ASN 3.92 -0.36 1 63 LYS 4.69 -0.51 1 64 LEU 4.74 -0.31 1 65 LYS 5.74 -0.63 1 66 ARG 4.97 -0.27 1 67 TRP 2.07 0.14 1 68 VAL 7.13 -0.67 1 69 ARG 5.39 -0.52 1 70 GLU 3.03 -0.08 1 71 ILE 5.44 -0.57 1 72 PHE 2.68 -0.75 1 73 ARG 3.90 -0.48 1 74 ARG 1.39 -0.10 1 75 ASN -1.37 0.38 1 76 LYS 4.38 -0.70 1 78 VAL -0.81 0.34 1 79 ILE -0.79 -0.38 1 81 LYS -0.54 0.03 1 83 PHE -3.49 0.37 1 84 ASP -1.08 0.80 1 85 ILE -3.39 0.68 1 86 VAL -3.34 0.84 1 87 VAL -1.33 0.43 1 88 ILE -4.06 1.04 1 90 ARG -2.41 0.37 1 91 LYS 4.37 -0.34 1 92 LYS 3.62 -0.21 1 93 LEU 3.82 -0.47 1 94 SER 3.79 -1.20 1 95 GLU 2.10 -0.28 1 96 GLU -0.98 0.16 1 97 PHE 4.57 -0.56 1 98 GLU 2.38 -0.23 1 99 ARG -0.99 0.25 1 100 VAL -1.72 0.40 1 101 ASP -4.63 0.28 1 103 TRP 3.65 -0.84 1 104 THR 6.35 -0.31 1 105 VAL 7.89 -0.66 1 106 ARG 5.50 -0.83 1 107 GLU 3.14 -0.50 1 108 LYS 2.48 -0.18 1 109 LEU 2.85 -0.20 1 110 LEU 4.45 -0.59 1 111 ASN 3.11 -0.47 1 112 LEU 1.32 -0.17 1 113 LEU 3.21 -0.65 1 114 LYS 2.87 -0.36 1 115 ARG -0.38 -0.11 1 116 ILE 4.74 -1.48 1 117 GLU -3.15 0.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27307_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.06 _LACS_plot.Line_1_terminator_val_y_1 -2.34 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.65 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.64 _LACS_plot.Line_2_terminator_val_x_2 7.88 _LACS_plot.Line_2_terminator_val_y_2 2.36 _LACS_plot.Y_axis_chem_shift_offset 0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 50 VAL -1.30 -3.91 0 116 ILE 4.74 -2.30 0 10 GLU -1.02 -1.06 1 11 ARG -1.17 -0.45 1 12 LEU -1.56 -1.09 1 13 ARG 1.13 0.36 1 15 ARG 5.20 0.75 1 16 ARG 0.78 2.05 1 17 ASP 0.81 1.14 1 18 PHE 4.52 0.11 1 19 LEU 4.25 -0.56 1 20 LEU 3.85 1.17 1 21 ILE 5.43 1.30 1 22 PHE 4.13 1.22 1 23 LYS 2.87 1.48 1 24 GLU -1.78 0.93 1 26 LYS -3.36 -2.11 1 27 SER -4.89 -0.64 1 28 LEU -7.06 -2.61 1 29 GLN -4.33 -0.95 1 30 ASN -1.39 0.05 1 31 GLU 3.72 -0.09 1 32 TYR -5.03 -0.68 1 33 PHE -5.35 -2.22 1 34 VAL -1.54 -1.43 1 35 VAL -4.06 -1.92 1 36 LEU -5.06 -0.69 1 37 PHE -4.60 -2.14 1 38 ARG -5.91 -1.41 1 39 LYS 2.38 1.03 1 40 ASN -2.90 1.55 1 42 LEU -3.06 -0.74 1 43 ASP -0.17 -2.19 1 44 TYR -4.04 -1.51 1 45 SER -1.22 -2.04 1 46 ARG -5.03 -2.62 1 47 LEU -4.25 -1.02 1 49 ILE -3.36 -2.27 1 51 VAL -1.28 -0.48 1 52 LYS 1.81 1.13 1 53 ARG 4.37 1.84 1 54 LYS 2.00 -0.23 1 55 PHE 2.14 0.03 1 57 LYS 0.22 1.03 1 59 THR 5.28 2.50 1 60 ARG 3.08 1.63 1 61 ARG 5.58 1.87 1 62 ASN 3.92 2.48 1 63 LYS 4.69 0.29 1 64 LEU 4.74 1.33 1 65 LYS 5.74 1.14 1 66 ARG 4.97 3.14 1 67 TRP 2.07 2.42 1 68 VAL 7.13 0.94 1 69 ARG 5.39 2.45 1 70 GLU 3.03 2.17 1 71 ILE 5.44 2.32 1 72 PHE 2.68 0.07 1 73 ARG 3.90 2.95 1 74 ARG 1.39 0.96 1 75 ASN -1.37 -0.68 1 76 LYS 4.38 1.23 1 78 VAL -0.81 -1.35 1 79 ILE -0.79 -1.13 1 81 LYS -0.54 -0.30 1 83 PHE -3.49 -1.15 1 84 ASP -1.08 -1.05 1 85 ILE -3.39 -2.31 1 86 VAL -3.34 -1.68 1 87 VAL -1.33 -1.90 1 88 ILE -4.06 0.10 1 90 ARG -2.41 1.21 1 91 LYS 4.37 2.08 1 92 LYS 3.62 1.86 1 93 LEU 3.82 -0.10 1 94 SER 3.79 3.18 1 95 GLU 2.10 2.05 1 96 GLU -0.98 1.01 1 97 PHE 4.57 0.52 1 98 GLU 2.38 0.47 1 99 ARG -0.99 -0.09 1 100 VAL -1.72 -2.86 1 101 ASP -4.63 -0.67 1 102 PHE 3.55 -0.10 1 103 TRP 3.65 2.61 1 104 THR 6.35 1.43 1 105 VAL 7.89 0.12 1 106 ARG 5.50 0.70 1 107 GLU 3.14 2.33 1 108 LYS 2.48 2.00 1 109 LEU 2.85 1.66 1 110 LEU 4.45 0.65 1 111 ASN 3.11 1.85 1 112 LEU 1.32 0.61 1 113 LEU 3.21 0.43 1 114 LYS 2.87 0.77 1 115 ARG -0.38 -0.30 1 117 GLU -3.15 -1.76 1 stop_ save_