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 bmr11105_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.04 _LACS_plot.Line_1_terminator_val_y_1 -2.69 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.26 _LACS_plot.Line_2_terminator_val_x_2 9.45 _LACS_plot.Line_2_terminator_val_y_2 6.88 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 45 ALA 9.45 6.78 0 78 LYS 5.21 0.80 0 102 ARG -7.29 -1.45 0 10 LYS -1.58 -1.15 1 11 TYR -0.20 -0.60 1 12 PHE -3.85 -1.50 1 13 ASN -2.56 -1.62 1 14 ASP 2.70 2.38 1 15 LYS 0.31 0.51 1 16 THR 1.44 1.93 1 17 ILE 4.69 2.98 1 18 ASP 3.73 2.77 1 19 GLU 1.93 2.13 1 20 GLU 2.62 2.03 1 21 LEU 3.20 2.21 1 22 GLU -0.45 0.01 1 23 ARG 4.01 3.68 1 24 ASP -1.58 -0.71 1 25 LYS 2.61 1.77 1 26 ARG 1.49 0.84 1 27 VAL -0.75 0.11 1 28 THR 1.63 1.35 1 29 TRP -5.38 -1.19 1 30 ILE -3.49 -1.35 1 31 VAL -4.36 -1.49 1 32 GLU -2.94 -2.07 1 33 PHE -0.99 -1.15 1 34 PHE -8.04 -3.02 1 35 ALA -3.72 -1.41 1 36 ASN 2.98 2.75 1 37 TRP -1.50 -2.33 1 38 SER -0.40 -2.25 1 39 ASN 4.63 3.82 1 40 ASP 3.94 3.23 1 42 GLN 5.43 3.63 1 43 SER 3.75 3.04 1 44 PHE 0.22 0.75 1 47 ILE 4.05 2.59 1 48 TYR 4.48 3.30 1 49 ALA 4.24 2.64 1 50 ASP 4.24 3.52 1 51 LEU 2.74 2.86 1 52 SER 4.10 2.29 1 53 LEU 2.55 2.31 1 54 LYS 1.38 2.31 1 55 TYR 1.09 1.77 1 56 ASN 1.77 2.90 1 58 THR 4.26 3.50 1 60 LEU -2.26 -0.65 1 61 ASN -2.85 -2.43 1 62 PHE -2.53 -0.80 1 64 LYS -4.29 0.08 1 65 VAL -4.76 -2.18 1 66 ASP -1.87 -2.66 1 67 VAL 2.11 0.24 1 69 ARG -0.44 0.59 1 70 TYR 0.97 -1.59 1 71 THR 4.81 3.70 1 72 ASP 3.59 3.13 1 73 VAL 5.57 4.04 1 74 SER 4.79 3.77 1 75 THR 4.96 3.76 1 76 ARG 4.17 3.97 1 77 TYR 2.52 1.03 1 79 VAL -1.47 -0.26 1 80 SER -0.36 -0.38 1 81 THR 0.22 -1.04 1 82 SER -0.14 -0.06 1 84 LEU 1.75 0.73 1 85 THR 0.17 0.28 1 86 LYS 2.79 0.33 1 87 GLN -1.61 0.09 1 88 LEU -5.18 -2.90 1 90 THR -3.47 0.82 1 91 LEU -7.13 -2.05 1 92 ILE -1.40 0.27 1 93 LEU -5.63 -1.86 1 94 PHE -2.74 -0.29 1 95 GLN -3.57 -0.66 1 98 LYS -4.73 -1.87 1 99 GLU 2.34 1.12 1 100 ALA -1.86 0.18 1 101 MET -1.43 0.33 1 103 ARG -6.09 -2.09 1 105 GLN -0.77 0.36 1 106 ILE -2.32 -2.10 1 107 ASP -1.61 -1.42 1 108 LYS 3.25 2.27 1 109 LYS -0.04 -0.84 1 111 ARG -0.97 -0.91 1 112 ALA -0.70 -0.37 1 113 VAL 0.54 -0.28 1 114 SER 2.72 2.47 1 115 TRP -0.72 1.46 1 116 THR 1.09 0.51 1 117 PHE 2.79 0.31 1 118 SER -5.40 -3.03 1 119 GLU 4.36 4.59 1 120 GLU 3.50 2.97 1 121 ASN 4.46 2.38 1 122 VAL 6.10 4.97 1 123 ILE 5.37 5.71 1 124 ARG 3.16 3.63 1 125 GLU 5.47 3.96 1 126 PHE 3.44 0.57 1 127 ASN 2.53 0.80 1 128 LEU 5.65 3.28 1 129 ASN 4.26 3.05 1 130 GLU 1.77 1.67 1 131 LEU 0.15 1.23 1 132 SER -0.72 -0.02 1 135 SER -0.07 0.17 1 136 SER -0.10 0.19 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11105_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.04 _LACS_plot.Line_1_terminator_val_y_1 5.35 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.50 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.74 _LACS_plot.Line_2_terminator_val_x_2 9.45 _LACS_plot.Line_2_terminator_val_y_2 -2.57 _LACS_plot.Y_axis_chem_shift_offset -0.01 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 45 ALA 9.45 -2.67 0 78 LYS 5.21 -4.41 0 102 ARG -7.29 5.84 0 10 LYS -1.58 0.43 1 11 TYR -0.20 -0.40 1 12 PHE -3.85 2.35 1 13 ASN -2.56 0.94 1 14 ASP 2.70 -0.32 1 15 LYS 0.31 0.20 1 16 THR 1.44 0.49 1 17 ILE 4.69 -1.71 1 18 ASP 3.73 -0.96 1 19 GLU 1.93 0.20 1 20 GLU 2.62 -0.59 1 21 LEU 3.20 -0.99 1 22 GLU -0.45 0.46 1 23 ARG 4.01 -0.33 1 24 ASP -1.58 0.87 1 25 LYS 2.61 -0.84 1 26 ARG 1.49 -0.65 1 27 VAL -0.75 0.86 1 28 THR 1.63 -0.28 1 29 TRP -5.38 4.19 1 30 ILE -3.49 2.14 1 31 VAL -4.36 2.87 1 32 GLU -2.94 0.87 1 33 PHE -0.99 -0.16 1 34 PHE -8.04 5.02 1 35 ALA -3.72 2.31 1 36 ASN 2.98 -0.23 1 37 TRP -1.50 -0.83 1 38 SER -0.40 -1.85 1 39 ASN 4.63 -0.81 1 40 ASP 3.94 -0.71 1 42 GLN 5.43 -1.80 1 43 SER 3.75 -0.71 1 44 PHE 0.22 0.53 1 47 ILE 4.05 -1.46 1 48 TYR 4.48 -1.18 1 49 ALA 4.24 -1.60 1 50 ASP 4.24 -0.72 1 51 LEU 2.74 0.12 1 52 SER 4.10 -1.81 1 53 LEU 2.55 -0.24 1 54 LYS 1.38 0.93 1 55 TYR 1.09 0.68 1 56 ASN 1.77 1.13 1 58 THR 4.26 -0.76 1 60 LEU -2.26 1.61 1 61 ASN -2.85 0.42 1 62 PHE -2.53 1.73 1 64 LYS -4.29 4.37 1 65 VAL -4.76 2.58 1 66 ASP -1.87 -0.79 1 67 VAL 2.11 -1.87 1 69 ARG -0.44 1.03 1 70 TYR 0.97 -2.56 1 71 THR 4.81 -1.11 1 72 ASP 3.59 -0.46 1 73 VAL 5.57 -1.53 1 74 SER 4.79 -1.02 1 75 THR 4.96 -1.20 1 76 ARG 4.17 -0.20 1 77 TYR 2.52 -1.49 1 79 VAL -1.47 1.21 1 80 SER -0.36 -0.02 1 81 THR 0.22 -1.26 1 82 SER -0.14 0.08 1 84 LEU 1.75 -1.02 1 85 THR 0.17 0.11 1 86 LYS 2.79 -2.46 1 87 GLN -1.61 1.70 1 88 LEU -5.18 2.28 1 90 THR -3.47 4.29 1 91 LEU -7.13 5.08 1 92 ILE -1.40 1.67 1 93 LEU -5.63 3.77 1 94 PHE -2.74 2.45 1 95 GLN -3.57 2.91 1 98 LYS -4.73 2.86 1 99 GLU 2.34 -1.22 1 100 ALA -1.86 2.04 1 101 MET -1.43 1.76 1 103 ARG -6.09 4.00 1 105 GLN -0.77 1.13 1 106 ILE -2.32 0.22 1 107 ASP -1.61 0.19 1 108 LYS 3.25 -0.98 1 109 LYS -0.04 -0.80 1 111 ARG -0.97 0.06 1 112 ALA -0.70 0.33 1 113 VAL 0.54 -0.82 1 114 SER 2.72 -0.25 1 115 TRP -0.72 2.18 1 116 THR 1.09 -0.58 1 117 PHE 2.79 -2.48 1 118 SER -5.40 2.37 1 119 GLU 4.36 0.23 1 120 GLU 3.50 -0.53 1 121 ASN 4.46 -2.08 1 122 VAL 6.10 -1.13 1 123 ILE 5.37 0.34 1 124 ARG 3.16 0.47 1 125 GLU 5.47 -1.51 1 126 PHE 3.44 -2.87 1 127 ASN 2.53 -1.73 1 128 LEU 5.65 -2.37 1 129 ASN 4.26 -1.21 1 130 GLU 1.77 -0.10 1 131 LEU 0.15 1.08 1 132 SER -0.72 0.70 1 135 SER -0.07 0.24 1 136 SER -0.10 0.29 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11105_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.04 _LACS_plot.Line_1_terminator_val_y_1 0.97 _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 0.28 _LACS_plot.Line_2_terminator_val_x_2 9.45 _LACS_plot.Line_2_terminator_val_y_2 -0.90 _LACS_plot.Y_axis_chem_shift_offset -0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 52 SER 4.10 -2.48 0 10 LYS -1.58 0.11 1 11 TYR -0.20 0.30 1 12 PHE -3.85 0.10 1 13 ASN -2.56 -0.71 1 14 ASP 2.70 -0.80 1 15 LYS 0.31 0.08 1 16 THR 1.44 -0.21 1 17 ILE 4.69 -1.69 1 18 ASP 3.73 -0.75 1 19 GLU 1.93 -0.55 1 20 GLU 2.62 -0.39 1 21 LEU 3.20 -0.74 1 22 GLU -0.45 -0.27 1 23 ARG 4.01 -0.41 1 24 ASP -1.58 0.14 1 25 LYS 2.61 -0.01 1 26 ARG 1.49 0.01 1 27 VAL -0.75 -0.11 1 28 THR 1.63 0.53 1 29 TRP -5.38 0.69 1 30 ILE -3.49 1.12 1 31 VAL -4.36 0.58 1 32 GLU -2.94 0.74 1 33 PHE -0.99 0.53 1 34 PHE -8.04 0.71 1 35 ALA -3.72 -0.15 1 36 ASN 2.98 -0.26 1 37 TRP -1.50 -0.05 1 38 SER -0.40 0.32 1 39 ASN 4.63 -0.30 1 40 ASP 3.94 -0.14 1 42 GLN 5.43 -0.23 1 43 SER 3.75 -0.16 1 44 PHE 0.22 0.17 1 45 ALA 9.45 -0.76 1 47 ILE 4.05 -0.37 1 48 TYR 4.48 -0.71 1 49 ALA 4.24 -0.59 1 50 ASP 4.24 -0.34 1 51 LEU 2.74 -0.32 1 53 LEU 2.55 -0.57 1 54 LYS 1.38 -0.46 1 55 TYR 1.09 0.03 1 56 ASN 1.77 0.13 1 58 THR 4.26 -0.32 1 60 LEU -2.26 0.63 1 61 ASN -2.85 0.32 1 62 PHE -2.53 0.71 1 64 LYS -4.29 1.07 1 65 VAL -4.76 0.73 1 66 ASP -1.87 -1.07 1 67 VAL 2.11 0.08 1 69 ARG -0.44 -0.17 1 70 TYR 0.97 0.51 1 71 THR 4.81 -0.18 1 72 ASP 3.59 0.02 1 73 VAL 5.57 -0.32 1 74 SER 4.79 -0.33 1 75 THR 4.96 -0.30 1 76 ARG 4.17 -0.38 1 77 TYR 2.52 -0.27 1 78 LYS 5.21 -0.46 1 79 VAL -1.47 -0.19 1 80 SER -0.36 -0.09 1 81 THR 0.22 0.10 1 84 LEU 1.75 -0.02 1 85 THR 0.17 -0.02 1 86 LYS 2.79 0.18 1 87 GLN -1.61 -0.17 1 88 LEU -5.18 0.15 1 90 THR -3.47 1.17 1 91 LEU -7.13 1.22 1 92 ILE -1.40 0.49 1 93 LEU -5.63 1.05 1 94 PHE -2.74 0.64 1 95 GLN -3.57 0.68 1 98 LYS -4.73 0.60 1 99 GLU 2.34 -0.74 1 100 ALA -1.86 0.29 1 101 MET -1.43 0.22 1 102 ARG -7.29 1.27 1 103 ARG -6.09 -0.50 1 105 GLN -0.77 -0.20 1 106 ILE -2.32 0.46 1 107 ASP -1.61 -0.05 1 108 LYS 3.25 -0.21 1 109 LYS -0.04 0.10 1 111 ARG -0.97 0.07 1 112 ALA -0.70 0.39 1 113 VAL 0.54 -0.06 1 114 SER 2.72 -0.20 1 115 TRP -0.72 0.03 1 116 THR 1.09 -0.15 1 117 PHE 2.79 -0.78 1 118 SER -5.40 0.32 1 119 GLU 4.36 -0.60 1 120 GLU 3.50 -0.34 1 121 ASN 4.46 -0.18 1 122 VAL 6.10 0.07 1 123 ILE 5.37 -0.88 1 124 ARG 3.16 -0.14 1 125 GLU 5.47 -0.22 1 126 PHE 3.44 -0.16 1 127 ASN 2.53 -0.23 1 128 LEU 5.65 -0.65 1 129 ASN 4.26 -0.12 1 130 GLU 1.77 -0.09 1 131 LEU 0.15 -0.07 1 132 SER -0.72 0.18 1 135 SER -0.07 0.05 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11105_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.04 _LACS_plot.Line_1_terminator_val_y_1 -2.82 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.67 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.72 _LACS_plot.Line_2_terminator_val_x_2 9.45 _LACS_plot.Line_2_terminator_val_y_2 3.07 _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 17 ILE 4.69 -2.33 0 34 PHE -8.04 -4.56 0 65 VAL -4.76 -5.35 0 45 ALA 9.45 0.52 0 10 LYS -1.58 -2.37 1 11 TYR -0.20 0.88 1 12 PHE -3.85 -0.85 1 13 ASN -2.56 -1.40 1 14 ASP 2.70 -0.19 1 15 LYS 0.31 2.93 1 16 THR 1.44 1.95 1 18 ASP 3.73 2.07 1 19 GLU 1.93 2.66 1 20 GLU 2.62 2.55 1 21 LEU 3.20 1.34 1 22 GLU -0.45 0.78 1 23 ARG 4.01 0.37 1 24 ASP -1.58 0.97 1 25 LYS 2.61 -0.02 1 26 ARG 1.49 0.59 1 27 VAL -0.75 -0.69 1 28 THR 1.63 -1.79 1 29 TRP -5.38 -0.83 1 30 ILE -3.49 -2.43 1 31 VAL -4.36 -2.54 1 32 GLU -2.94 -2.09 1 33 PHE -0.99 -1.41 1 35 ALA -3.72 0.69 1 36 ASN 2.98 0.35 1 37 TRP -1.50 0.20 1 38 SER -0.40 1.37 1 40 ASP 3.94 3.57 1 42 GLN 5.43 3.26 1 43 SER 3.75 0.54 1 44 PHE 0.22 0.23 1 47 ILE 4.05 1.52 1 48 TYR 4.48 1.75 1 49 ALA 4.24 2.88 1 50 ASP 4.24 2.92 1 51 LEU 2.74 0.76 1 52 SER 4.10 0.84 1 53 LEU 2.55 1.41 1 54 LYS 1.38 1.66 1 55 TYR 1.09 -0.53 1 56 ASN 1.77 -0.12 1 58 THR 4.26 1.10 1 60 LEU -2.26 -4.23 1 61 ASN -2.85 -3.12 1 62 PHE -2.53 0.71 1 64 LYS -4.29 -3.32 1 66 ASP -1.87 0.71 1 67 VAL 2.11 -0.02 1 69 ARG -0.44 0.76 1 70 TYR 0.97 0.98 1 71 THR 4.81 2.75 1 72 ASP 3.59 2.51 1 73 VAL 5.57 1.39 1 74 SER 4.79 2.48 1 75 THR 4.96 2.86 1 76 ARG 4.17 1.44 1 77 TYR 2.52 -2.42 1 78 LYS 5.21 -1.46 1 79 VAL -1.47 -1.95 1 80 SER -0.36 1.54 1 81 THR 0.22 -0.31 1 82 SER -0.14 1.82 1 84 LEU 1.75 0.51 1 85 THR 0.17 -0.15 1 86 LYS 2.79 0.04 1 87 GLN -1.61 -2.53 1 88 LEU -5.18 -2.24 1 90 THR -3.47 -0.87 1 91 LEU -7.13 -2.00 1 92 ILE -1.40 -2.79 1 93 LEU -5.63 -2.77 1 94 PHE -2.74 -0.23 1 95 GLN -3.57 1.38 1 98 LYS -4.73 -0.95 1 99 GLU 2.34 -0.82 1 100 ALA -1.86 -0.22 1 101 MET -1.43 -3.51 1 102 ARG -7.29 -0.96 1 103 ARG -6.09 -1.34 1 105 GLN -0.77 -1.76 1 106 ILE -2.32 0.50 1 107 ASP -1.61 2.13 1 108 LYS 3.25 1.13 1 109 LYS -0.04 0.22 1 111 ARG -0.97 -0.75 1 112 ALA -0.70 0.22 1 113 VAL 0.54 -0.33 1 114 SER 2.72 -1.21 1 115 TRP -0.72 -1.59 1 116 THR 1.09 -1.74 1 117 PHE 2.79 -0.80 1 118 SER -5.40 -0.46 1 119 GLU 4.36 1.20 1 120 GLU 3.50 2.21 1 121 ASN 4.46 2.93 1 122 VAL 6.10 1.43 1 123 ILE 5.37 2.65 1 124 ARG 3.16 3.48 1 125 GLU 5.47 0.79 1 126 PHE 3.44 -2.00 1 127 ASN 2.53 1.13 1 128 LEU 5.65 1.16 1 129 ASN 4.26 1.78 1 130 GLU 1.77 1.91 1 131 LEU 0.15 -0.15 1 132 SER -0.72 -0.15 1 135 SER -0.07 0.21 1 136 SER -0.10 -0.61 1 stop_ save_