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 bmr26011_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -3.91 _LACS_plot.Line_1_terminator_val_y_1 -2.69 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.66 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.70 _LACS_plot.Line_2_terminator_val_x_2 8.08 _LACS_plot.Line_2_terminator_val_y_2 5.66 _LACS_plot.Y_axis_chem_shift_offset -0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 119 HIS -3.91 0.78 0 10 ASN 5.45 3.45 1 11 LYS 4.27 3.86 1 12 LYS 3.92 3.23 1 13 GLN 3.90 2.76 1 14 ALA 3.49 3.30 1 15 LEU 3.15 2.84 1 16 LYS 4.25 2.74 1 17 GLU 4.04 2.74 1 18 LYS 6.10 4.05 1 19 GLU 3.48 2.85 1 20 LEU 4.93 2.64 1 22 ASN 3.86 2.42 1 23 ASP 3.66 3.56 1 24 ALA 4.30 2.59 1 25 TYR 3.26 3.67 1 26 LYS 3.71 3.05 1 27 LYS 0.64 0.07 1 28 LYS 1.59 0.70 1 29 ASP -0.29 -3.06 1 30 PHE 4.35 2.43 1 31 ASP 4.66 3.56 1 32 THR 6.61 4.03 1 33 ALA 4.81 3.76 1 34 LEU 3.71 3.42 1 35 LYS 4.60 3.36 1 36 HIS 5.56 4.76 1 37 TYR 2.20 0.95 1 38 ASP 3.63 3.45 1 39 LYS 3.87 1.94 1 40 ALA 6.02 3.34 1 41 LYS 3.34 2.40 1 42 GLU 1.86 2.06 1 43 LEU 0.43 1.74 1 44 ASP -1.65 -0.98 1 46 THR 0.38 -0.33 1 47 ASN -2.16 -1.46 1 48 MET 3.30 3.46 1 49 THR 4.74 3.18 1 50 TYR 3.38 0.56 1 51 ILE 3.49 3.12 1 52 THR 6.47 4.18 1 53 ASN 6.07 3.05 1 54 GLN 4.07 4.26 1 55 ALA 3.12 3.45 1 56 ALA 4.14 2.95 1 57 VAL 7.22 4.99 1 58 TYR 8.08 6.47 1 59 PHE 5.28 4.37 1 60 GLU 3.33 2.29 1 61 LYS 1.28 0.95 1 63 ASP -1.66 -3.28 1 64 TYR 4.90 3.01 1 65 ASN 4.58 3.89 1 66 LYS 2.90 1.56 1 68 ARG 4.51 3.34 1 69 GLU 2.80 2.66 1 70 LEU 2.75 2.45 1 72 GLU 4.09 3.75 1 73 LYS 3.76 2.03 1 74 ALA 3.20 2.63 1 75 ILE 5.49 5.08 1 76 GLU 3.63 3.39 1 77 VAL 4.68 4.21 1 79 ARG 4.48 3.34 1 80 GLU 2.53 2.50 1 81 ASN -0.16 0.74 1 82 ARG 5.17 1.01 1 83 GLU -1.40 -0.54 1 84 ASP -0.85 0.97 1 85 TYR 3.48 2.16 1 86 ARG 4.71 3.26 1 87 GLN 2.57 1.96 1 88 ILE 5.54 3.73 1 89 ALA 2.70 3.91 1 90 LYS 3.62 3.32 1 91 ALA 4.30 3.02 1 92 TYR 4.13 3.91 1 93 ALA 4.55 3.45 1 94 ARG 6.17 3.22 1 95 ILE 6.60 5.61 1 97 ASN 3.39 2.23 1 98 SER 5.53 4.40 1 99 TYR 5.66 4.14 1 100 PHE 3.82 4.36 1 101 LYS 3.06 1.53 1 102 GLU -1.58 -0.26 1 103 GLU 4.30 0.48 1 104 LYS -0.20 -2.38 1 105 TYR 5.02 4.70 1 106 LYS 5.36 4.12 1 107 ASP 4.31 3.00 1 108 ALA 4.86 3.56 1 109 ILE 4.26 4.85 1 110 HIS 4.07 4.97 1 111 PHE 7.05 6.19 1 112 TYR 3.34 0.80 1 113 ASN 4.98 3.61 1 114 LYS 5.77 3.21 1 115 SER 4.41 4.32 1 116 LEU 2.20 1.91 1 117 ALA 2.44 1.53 1 118 GLU 0.55 1.04 1 120 ARG 2.99 1.83 1 121 THR -3.04 -2.16 1 123 ASP 3.58 2.64 1 124 VAL 5.70 3.93 1 125 LEU 4.10 3.57 1 126 LYS 3.99 3.26 1 127 LYS 3.44 1.93 1 129 GLN 4.68 3.34 1 130 GLN 4.49 3.43 1 131 ALA 3.51 3.00 1 132 GLU 2.78 3.20 1 133 LYS 3.99 3.30 1 134 ILE 4.40 3.80 1 135 LEU 2.66 2.56 1 136 LYS 2.58 1.92 1 137 GLU 1.14 0.88 1 138 GLN 0.19 0.29 1 139 GLU 0.78 1.98 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26011_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -3.91 _LACS_plot.Line_1_terminator_val_y_1 1.22 _LACS_plot.Line_1_terminator_val_x_2 1.99 _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 1.30 _LACS_plot.Line_2_terminator_val_x_2 8.08 _LACS_plot.Line_2_terminator_val_y_2 -2.42 _LACS_plot.Y_axis_chem_shift_offset -0.38 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 119 HIS -3.91 4.69 0 10 ASN 5.45 -2.00 1 11 LYS 4.27 -0.41 1 12 LYS 3.92 -0.69 1 13 GLN 3.90 -1.14 1 14 ALA 3.49 -0.19 1 15 LEU 3.15 -0.31 1 16 LYS 4.25 -1.51 1 17 GLU 4.04 -1.30 1 18 LYS 6.10 -2.05 1 19 GLU 3.48 -0.63 1 20 LEU 4.93 -2.29 1 22 ASN 3.86 -1.44 1 23 ASP 3.66 -0.10 1 24 ALA 4.30 -1.71 1 25 TYR 3.26 0.41 1 26 LYS 3.71 -0.66 1 27 LYS 0.64 -0.57 1 28 LYS 1.59 -0.89 1 29 ASP -0.29 -2.77 1 30 PHE 4.35 -1.92 1 31 ASP 4.66 -1.10 1 32 THR 6.61 -2.58 1 33 ALA 4.81 -1.05 1 34 LEU 3.71 -0.29 1 35 LYS 4.60 -1.24 1 36 HIS 5.56 -0.80 1 37 TYR 2.20 -1.25 1 38 ASP 3.63 -0.18 1 39 LYS 3.87 -1.93 1 40 ALA 6.02 -2.68 1 41 LYS 3.34 -0.94 1 42 GLU 1.86 0.20 1 43 LEU 0.43 1.31 1 44 ASP -1.65 0.67 1 46 THR 0.38 -0.71 1 47 ASN -2.16 0.70 1 48 MET 3.30 0.16 1 49 THR 4.74 -1.56 1 50 TYR 3.38 -2.82 1 51 ILE 3.49 -0.37 1 52 THR 6.47 -2.29 1 53 ASN 6.07 -3.02 1 54 GLN 4.07 0.19 1 55 ALA 3.12 0.33 1 56 ALA 4.14 -1.19 1 57 VAL 7.22 -2.23 1 58 TYR 8.08 -1.61 1 59 PHE 5.28 -0.91 1 60 GLU 3.33 -1.04 1 61 LYS 1.28 -0.33 1 63 ASP -1.66 -1.62 1 64 TYR 4.90 -1.89 1 65 ASN 4.58 -0.69 1 66 LYS 2.90 -1.34 1 68 ARG 4.51 -1.17 1 69 GLU 2.80 -0.14 1 70 LEU 2.75 -0.30 1 72 GLU 4.09 -0.34 1 73 LYS 3.76 -1.73 1 74 ALA 3.20 -0.57 1 75 ILE 5.49 -0.41 1 76 GLU 3.63 -0.24 1 77 VAL 4.68 -0.47 1 79 ARG 4.48 -1.14 1 80 GLU 2.53 -0.03 1 81 ASN -0.16 0.90 1 82 ARG 5.17 -4.16 1 83 GLU -1.40 0.86 1 84 ASP -0.85 1.82 1 85 TYR 3.48 -1.32 1 86 ARG 4.71 -1.45 1 87 GLN 2.57 -0.61 1 88 ILE 5.54 -1.81 1 89 ALA 2.70 1.21 1 90 LYS 3.62 -0.30 1 91 ALA 4.30 -1.28 1 92 TYR 4.13 -0.22 1 93 ALA 4.55 -1.10 1 94 ARG 6.17 -2.95 1 95 ILE 6.60 -0.99 1 97 ASN 3.39 -1.16 1 98 SER 5.53 -1.13 1 99 TYR 5.66 -1.52 1 100 PHE 3.82 0.54 1 101 LYS 3.06 -1.53 1 102 GLU -1.58 1.32 1 103 GLU 4.30 -3.82 1 104 LYS -0.20 -2.18 1 105 TYR 5.02 -0.32 1 106 LYS 5.36 -1.24 1 107 ASP 4.31 -1.31 1 108 ALA 4.86 -1.30 1 109 ILE 4.26 0.59 1 110 HIS 4.07 0.90 1 111 PHE 7.05 -0.86 1 112 TYR 3.34 -2.54 1 113 ASN 4.98 -1.37 1 114 LYS 5.77 -2.56 1 115 SER 4.41 -0.09 1 116 LEU 2.20 -0.29 1 117 ALA 2.44 -0.91 1 118 GLU 0.55 0.49 1 120 ARG 2.99 -1.16 1 121 THR -3.04 0.88 1 123 ASP 3.58 -0.94 1 124 VAL 5.70 -1.77 1 125 LEU 4.10 -0.53 1 126 LYS 3.99 -0.73 1 127 LYS 3.44 -1.51 1 129 GLN 4.68 -1.34 1 130 GLN 4.49 -1.06 1 131 ALA 3.51 -0.51 1 132 GLU 2.78 0.42 1 133 LYS 3.99 -0.69 1 134 ILE 4.40 -0.60 1 135 LEU 2.66 -0.10 1 136 LYS 2.58 -0.66 1 137 GLU 1.14 -0.26 1 138 GLN 0.19 0.10 1 139 GLU 0.78 1.20 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26011_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -3.91 _LACS_plot.Line_1_terminator_val_y_1 0.17 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.09 _LACS_plot.Line_2_terminator_val_x_2 8.08 _LACS_plot.Line_2_terminator_val_y_2 -0.60 _LACS_plot.Y_axis_chem_shift_offset 0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 103 GLU 4.30 -1.70 0 28 LYS 1.59 -1.64 0 10 ASN 5.45 -0.22 1 11 LYS 4.27 -0.26 1 12 LYS 3.92 -0.27 1 13 GLN 3.90 -0.24 1 14 ALA 3.49 -0.55 1 15 LEU 3.15 -0.17 1 16 LYS 4.25 -0.21 1 17 GLU 4.04 -0.37 1 18 LYS 6.10 -0.54 1 19 GLU 3.48 -0.26 1 20 LEU 4.93 -0.44 1 22 ASN 3.86 -0.11 1 23 ASP 3.66 -0.22 1 24 ALA 4.30 -0.12 1 25 TYR 3.26 -0.72 1 26 LYS 3.71 -0.33 1 27 LYS 0.64 -0.09 1 29 ASP -0.29 0.16 1 30 PHE 4.35 -0.37 1 31 ASP 4.66 -0.17 1 32 THR 6.61 -0.56 1 33 ALA 4.81 -0.43 1 34 LEU 3.71 -0.34 1 35 LYS 4.60 -0.27 1 36 HIS 5.56 -0.25 1 37 TYR 2.20 -0.02 1 38 ASP 3.63 -0.17 1 39 LYS 3.87 -0.19 1 40 ALA 6.02 -0.67 1 41 LYS 3.34 -0.14 1 42 GLU 1.86 -0.39 1 43 LEU 0.43 -0.18 1 44 ASP -1.65 0.20 1 46 THR 0.38 -0.06 1 47 ASN -2.16 -0.04 1 48 MET 3.30 -0.59 1 49 THR 4.74 -0.34 1 50 TYR 3.38 -0.06 1 51 ILE 3.49 -0.04 1 52 THR 6.47 -0.49 1 53 ASN 6.07 -0.57 1 54 GLN 4.07 -0.41 1 55 ALA 3.12 -0.21 1 56 ALA 4.14 -0.33 1 57 VAL 7.22 -0.75 1 58 TYR 8.08 -0.60 1 59 PHE 5.28 -0.81 1 60 GLU 3.33 -0.32 1 61 LYS 1.28 -0.25 1 63 ASP -1.66 0.06 1 64 TYR 4.90 -0.58 1 65 ASN 4.58 -0.42 1 66 LYS 2.90 -0.44 1 68 ARG 4.51 -0.16 1 69 GLU 2.80 -0.36 1 70 LEU 2.75 -0.24 1 72 GLU 4.09 -0.42 1 73 LYS 3.76 -0.11 1 74 ALA 3.20 -0.41 1 75 ILE 5.49 -0.86 1 76 GLU 3.63 -0.31 1 77 VAL 4.68 -0.38 1 79 ARG 4.48 -0.16 1 80 GLU 2.53 -0.19 1 81 ASN -0.16 0.09 1 82 ARG 5.17 -0.30 1 83 GLU -1.40 -0.20 1 84 ASP -0.85 -0.23 1 85 TYR 3.48 -0.23 1 86 ARG 4.71 -0.68 1 87 GLN 2.57 -0.14 1 88 ILE 5.54 -0.72 1 89 ALA 2.70 0.04 1 90 LYS 3.62 -0.15 1 91 ALA 4.30 -0.14 1 92 TYR 4.13 0.02 1 93 ALA 4.55 -0.14 1 94 ARG 6.17 -0.29 1 95 ILE 6.60 -0.80 1 97 ASN 3.39 0.12 1 98 SER 5.53 -0.49 1 99 TYR 5.66 -0.17 1 100 PHE 3.82 -0.99 1 101 LYS 3.06 -0.21 1 102 GLU -1.58 -0.08 1 104 LYS -0.20 0.15 1 105 TYR 5.02 -0.60 1 106 LYS 5.36 -0.34 1 107 ASP 4.31 -0.44 1 108 ALA 4.86 -0.27 1 109 ILE 4.26 -0.29 1 110 HIS 4.07 -0.50 1 111 PHE 7.05 -0.67 1 112 TYR 3.34 0.04 1 113 ASN 4.98 -0.20 1 114 LYS 5.77 -0.56 1 115 SER 4.41 -0.26 1 116 LEU 2.20 -0.19 1 117 ALA 2.44 -0.27 1 118 GLU 0.55 0.00 1 119 HIS -3.91 0.06 1 120 ARG 2.99 -0.19 1 121 THR -3.04 0.18 1 123 ASP 3.58 -0.35 1 124 VAL 5.70 -0.79 1 125 LEU 4.10 -0.41 1 126 LYS 3.99 -0.31 1 127 LYS 3.44 -0.42 1 129 GLN 4.68 -0.18 1 130 GLN 4.49 -0.22 1 131 ALA 3.51 -0.30 1 132 GLU 2.78 -0.47 1 133 LYS 3.99 -0.33 1 134 ILE 4.40 -0.56 1 135 LEU 2.66 -0.33 1 136 LYS 2.58 -0.16 1 137 GLU 1.14 -0.10 1 138 GLN 0.19 0.06 1 139 GLU 0.78 -0.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr26011_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -3.91 _LACS_plot.Line_1_terminator_val_y_1 -1.21 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 1.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.19 _LACS_plot.Line_2_terminator_val_x_2 8.08 _LACS_plot.Line_2_terminator_val_y_2 3.24 _LACS_plot.Y_axis_chem_shift_offset -0.42 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 139 GLU 0.78 4.60 0 119 HIS -3.91 -1.21 0 10 ASN 5.45 1.95 1 11 LYS 4.27 2.32 1 12 LYS 3.92 3.01 1 13 GLN 3.90 2.53 1 14 ALA 3.49 0.66 1 15 LEU 3.15 2.13 1 16 LYS 4.25 2.81 1 17 GLU 4.04 2.48 1 18 LYS 6.10 1.47 1 19 GLU 3.48 2.80 1 20 LEU 4.93 3.68 1 22 ASN 3.86 2.79 1 23 ASP 3.66 1.84 1 24 ALA 4.30 1.53 1 25 TYR 3.26 3.97 1 26 LYS 3.71 1.24 1 27 LYS 0.64 -1.28 1 28 LYS 1.59 -2.13 1 29 ASP -0.29 0.74 1 30 PHE 4.35 1.51 1 31 ASP 4.66 2.92 1 32 THR 6.61 1.01 1 33 ALA 4.81 0.23 1 34 LEU 3.71 0.56 1 35 LYS 4.60 3.47 1 36 HIS 5.56 3.90 1 37 TYR 2.20 2.20 1 38 ASP 3.63 2.37 1 39 LYS 3.87 1.84 1 40 ALA 6.02 -0.16 1 41 LYS 3.34 1.22 1 42 GLU 1.86 2.60 1 43 LEU 0.43 -0.28 1 44 ASP -1.65 -1.24 1 46 THR 0.38 -2.09 1 47 ASN -2.16 1.13 1 48 MET 3.30 0.48 1 49 THR 4.74 1.46 1 50 TYR 3.38 1.14 1 51 ILE 3.49 2.75 1 52 THR 6.47 3.18 1 53 ASN 6.07 2.12 1 54 GLN 4.07 2.28 1 55 ALA 3.12 1.58 1 56 ALA 4.14 1.90 1 57 VAL 7.22 1.34 1 58 TYR 8.08 1.42 1 59 PHE 5.28 2.75 1 60 GLU 3.33 2.24 1 61 LYS 1.28 -0.02 1 63 ASP -1.66 -0.34 1 64 TYR 4.90 1.94 1 65 ASN 4.58 2.23 1 66 LYS 2.90 1.59 1 68 ARG 4.51 1.14 1 69 GLU 2.80 3.43 1 70 LEU 2.75 1.44 1 72 GLU 4.09 3.06 1 73 LYS 3.76 1.59 1 74 ALA 3.20 1.44 1 75 ILE 5.49 0.44 1 76 GLU 3.63 3.12 1 77 VAL 4.68 2.99 1 79 ARG 4.48 4.25 1 80 GLU 2.53 0.76 1 81 ASN -0.16 -1.88 1 82 ARG 5.17 -0.45 1 83 GLU -1.40 -1.24 1 84 ASP -0.85 1.98 1 85 TYR 3.48 1.34 1 86 ARG 4.71 4.08 1 87 GLN 2.57 3.57 1 88 ILE 5.54 1.67 1 89 ALA 2.70 4.20 1 90 LYS 3.62 2.28 1 91 ALA 4.30 1.97 1 92 TYR 4.13 2.79 1 93 ALA 4.55 0.62 1 94 ARG 6.17 2.94 1 95 ILE 6.60 3.90 1 97 ASN 3.39 2.86 1 98 SER 5.53 -0.55 1 99 TYR 5.66 2.71 1 100 PHE 3.82 4.10 1 101 LYS 3.06 1.01 1 102 GLU -1.58 -2.17 1 103 GLU 4.30 -1.64 1 104 LYS -0.20 0.92 1 105 TYR 5.02 1.35 1 106 LYS 5.36 2.62 1 107 ASP 4.31 1.22 1 108 ALA 4.86 0.16 1 109 ILE 4.26 1.07 1 110 HIS 4.07 4.39 1 111 PHE 7.05 3.12 1 112 TYR 3.34 2.86 1 113 ASN 4.98 3.82 1 114 LYS 5.77 2.00 1 115 SER 4.41 2.03 1 116 LEU 2.20 0.43 1 117 ALA 2.44 1.49 1 118 GLU 0.55 0.25 1 120 ARG 2.99 -1.24 1 121 THR -3.04 0.02 1 123 ASP 3.58 2.18 1 124 VAL 5.70 0.87 1 125 LEU 4.10 0.95 1 126 LYS 3.99 2.74 1 127 LYS 3.44 1.31 1 129 GLN 4.68 3.49 1 130 GLN 4.49 2.39 1 131 ALA 3.51 0.48 1 132 GLU 2.78 2.34 1 133 LYS 3.99 2.02 1 134 ILE 4.40 2.48 1 135 LEU 2.66 1.87 1 136 LYS 2.58 1.65 1 137 GLU 1.14 0.49 1 138 GLN 0.19 -0.59 1 stop_ save_