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 bmr17288_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.49 _LACS_plot.Line_1_terminator_val_y_1 -3.40 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.26 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.97 _LACS_plot.Line_2_terminator_val_x_2 8.55 _LACS_plot.Line_2_terminator_val_y_2 6.00 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 88 LEU 6.02 -0.40 0 10 SER 0.51 0.44 1 11 GLN -0.66 -0.43 1 12 ASP 1.28 0.86 1 14 ILE 0.39 0.73 1 15 ARG -5.11 -2.82 1 16 ARG 4.38 2.82 1 18 ASP -0.42 1.72 1 19 VAL -2.04 -2.01 1 20 TYR -7.37 -1.83 1 21 LEU -1.52 -0.13 1 22 ALA -6.42 -1.35 1 23 ASP -1.64 -1.14 1 24 LEU -0.13 -0.11 1 25 SER 3.31 2.88 1 27 VAL -4.77 -2.01 1 28 GLN -4.38 -1.12 1 30 SER 1.61 1.01 1 31 GLU 0.09 0.03 1 32 GLN 1.52 0.66 1 35 VAL 0.98 -0.92 1 36 ARG -1.29 -1.09 1 38 VAL -6.87 -3.92 1 39 VAL -5.85 -3.92 1 40 ILE 2.78 -0.64 1 41 ILE -0.30 0.31 1 42 GLN -1.42 0.73 1 43 ASN 0.26 1.32 1 44 ASP 4.11 3.96 1 45 THR 8.55 6.07 1 47 ASN 3.70 2.99 1 48 LYS 3.36 3.17 1 49 TYR -0.25 1.45 1 50 SER -0.11 0.61 1 52 THR -4.41 -3.06 1 53 VAL -6.26 -3.50 1 54 ILE -1.25 -0.09 1 55 VAL -6.68 -4.20 1 56 ALA -6.71 -2.72 1 57 ALA -0.93 0.31 1 58 ILE -1.34 -1.00 1 59 THR -3.64 -2.83 1 61 ARG 1.35 1.18 1 62 ILE -2.61 -0.63 1 65 ALA -0.95 -0.53 1 69 THR 1.49 -0.24 1 70 HIS -7.49 -2.21 1 71 VAL -4.42 -1.19 1 72 GLU 0.01 0.77 1 73 ILE -2.88 -0.63 1 74 GLU -0.42 0.41 1 75 LYS 4.18 3.17 1 76 LYS 3.91 2.90 1 77 LYS 1.16 1.80 1 78 TYR 1.39 0.63 1 79 LYS 5.27 0.98 1 80 LEU -3.68 -2.02 1 81 ASP 1.66 1.61 1 82 LYS -4.13 -1.65 1 83 ASP 3.76 2.87 1 84 SER -3.72 0.62 1 85 VAL -5.33 -2.10 1 86 ILE -0.42 -0.36 1 87 LEU -1.80 -2.33 1 89 GLU 0.31 -0.48 1 90 GLN 2.20 -0.61 1 91 ILE -5.34 -2.82 1 92 ARG -4.89 -1.23 1 93 THR 2.51 1.67 1 94 LEU -6.16 -3.40 1 95 ASP -0.85 1.99 1 96 LYS 4.06 4.26 1 97 LYS 3.91 2.08 1 98 ARG 0.38 1.73 1 99 LEU 2.34 0.17 1 100 LYS 0.25 -0.83 1 101 GLU -1.89 0.03 1 102 LYS 0.89 0.42 1 103 LEU -0.40 1.26 1 104 THR 1.55 -1.97 1 105 TYR -3.85 -1.71 1 106 LEU -0.40 -0.65 1 107 SER -1.32 -0.56 1 108 ASP 4.13 3.53 1 109 ASP 4.13 2.71 1 110 LYS 3.15 -0.04 1 111 MET 3.36 0.67 1 112 LYS 4.45 3.44 1 113 GLU 2.49 3.04 1 114 VAL 7.02 5.12 1 115 ASP 5.22 3.80 1 116 ASN 3.57 3.53 1 117 ALA 2.07 2.49 1 118 LEU 1.52 2.36 1 119 MET 5.05 3.97 1 120 ILE 4.24 3.48 1 121 SER 1.65 2.16 1 122 LEU -0.64 -1.44 1 124 LEU -1.89 -0.93 1 125 ASN -0.28 -0.04 1 126 ALA -0.13 0.02 1 127 VAL 0.44 0.18 1 128 ALA -0.13 0.02 1 129 HIS -0.67 0.80 1 130 GLN -0.13 0.10 1 131 LYS 0.05 0.14 1 132 ASN 0.11 1.70 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17288_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.49 _LACS_plot.Line_1_terminator_val_y_1 4.09 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 1.03 _LACS_plot.Line_2_terminator_val_x_2 8.55 _LACS_plot.Line_2_terminator_val_y_2 -2.55 _LACS_plot.Y_axis_chem_shift_offset -0.32 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 88 LEU 6.02 -6.42 0 10 SER 0.51 -0.07 1 11 GLN -0.66 0.23 1 12 ASP 1.28 -0.42 1 14 ILE 0.39 0.34 1 15 ARG -5.11 2.29 1 16 ARG 4.38 -1.56 1 18 ASP -0.42 2.14 1 19 VAL -2.04 0.03 1 20 TYR -7.37 5.54 1 21 LEU -1.52 1.39 1 22 ALA -6.42 5.07 1 23 ASP -1.64 0.50 1 24 LEU -0.13 0.02 1 25 SER 3.31 -0.43 1 27 VAL -4.77 2.76 1 28 GLN -4.38 3.26 1 30 SER 1.61 -0.60 1 31 GLU 0.09 -0.06 1 32 GLN 1.52 -0.86 1 35 VAL 0.98 -1.90 1 36 ARG -1.29 0.20 1 38 VAL -6.87 2.95 1 39 VAL -5.85 1.93 1 40 ILE 2.78 -3.42 1 41 ILE -0.30 0.61 1 42 GLN -1.42 2.15 1 43 ASN 0.26 1.06 1 44 ASP 4.11 -0.15 1 45 THR 8.55 -2.48 1 47 ASN 3.70 -0.71 1 48 LYS 3.36 -0.19 1 49 TYR -0.25 1.70 1 50 SER -0.11 0.72 1 52 THR -4.41 1.35 1 53 VAL -6.26 2.76 1 54 ILE -1.25 1.16 1 55 VAL -6.68 2.48 1 56 ALA -6.71 3.99 1 57 ALA -0.93 1.24 1 58 ILE -1.34 0.34 1 59 THR -3.64 0.81 1 61 ARG 1.35 -0.17 1 62 ILE -2.61 1.98 1 65 ALA -0.95 0.42 1 69 THR 1.49 -1.73 1 70 HIS -7.49 5.28 1 71 VAL -4.42 3.23 1 72 GLU 0.01 0.76 1 73 ILE -2.88 2.25 1 74 GLU -0.42 0.83 1 75 LYS 4.18 -1.01 1 76 LYS 3.91 -1.01 1 77 LYS 1.16 0.64 1 78 TYR 1.39 -0.76 1 79 LYS 5.27 -4.29 1 80 LEU -3.68 1.66 1 81 ASP 1.66 -0.05 1 82 LYS -4.13 2.48 1 83 ASP 3.76 -0.89 1 84 SER -3.72 4.34 1 85 VAL -5.33 3.23 1 86 ILE -0.42 0.06 1 87 LEU -1.80 -0.53 1 89 GLU 0.31 -0.79 1 90 GLN 2.20 -2.81 1 91 ILE -5.34 2.52 1 92 ARG -4.89 3.66 1 93 THR 2.51 -0.84 1 94 LEU -6.16 2.76 1 95 ASP -0.85 2.84 1 96 LYS 4.06 0.20 1 97 LYS 3.91 -1.83 1 98 ARG 0.38 1.35 1 99 LEU 2.34 -2.17 1 100 LYS 0.25 -1.08 1 101 GLU -1.89 1.92 1 102 LYS 0.89 -0.47 1 103 LEU -0.40 1.66 1 104 THR 1.55 -3.52 1 105 TYR -3.85 2.14 1 106 LEU -0.40 -0.25 1 107 SER -1.32 0.76 1 108 ASP 4.13 -0.60 1 109 ASP 4.13 -1.42 1 110 LYS 3.15 -3.19 1 111 MET 3.36 -2.69 1 112 LYS 4.45 -1.01 1 113 GLU 2.49 0.55 1 114 VAL 7.02 -1.90 1 115 ASP 5.22 -1.42 1 116 ASN 3.57 -0.04 1 117 ALA 2.07 0.42 1 118 LEU 1.52 0.84 1 119 MET 5.05 -1.08 1 120 ILE 4.24 -0.76 1 121 SER 1.65 0.51 1 122 LEU -0.64 -0.80 1 124 LEU -1.89 0.96 1 125 ASN -0.28 0.24 1 126 ALA -0.13 0.15 1 127 VAL 0.44 -0.26 1 128 ALA -0.13 0.15 1 129 HIS -0.67 1.47 1 130 GLN -0.13 0.23 1 131 LYS 0.05 0.09 1 132 ASN 0.11 1.59 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17288_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.49 _LACS_plot.Line_1_terminator_val_y_1 0.84 _LACS_plot.Line_1_terminator_val_x_2 2.00 _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 0.20 _LACS_plot.Line_2_terminator_val_x_2 8.55 _LACS_plot.Line_2_terminator_val_y_2 -0.76 _LACS_plot.Y_axis_chem_shift_offset -0.03 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 55 VAL -6.68 1.72 0 45 THR 8.55 0.03 0 10 SER 0.51 -0.11 1 11 GLN -0.66 0.01 1 12 ASP 1.28 -0.11 1 14 ILE 0.39 -0.12 1 15 ARG -5.11 0.57 1 16 ARG 4.38 -0.66 1 18 ASP -0.42 0.25 1 19 VAL -2.04 1.25 1 20 TYR -7.37 0.66 1 21 LEU -1.52 0.20 1 22 ALA -6.42 0.70 1 23 ASP -1.64 0.22 1 24 LEU -0.13 -0.21 1 25 SER 3.31 -0.50 1 27 VAL -4.77 0.42 1 28 GLN -4.38 0.31 1 30 SER 1.61 -0.06 1 31 GLU 0.09 -0.39 1 32 GLN 1.52 -0.33 1 35 VAL 0.98 0.90 1 36 ARG -1.29 0.23 1 38 VAL -6.87 0.99 1 39 VAL -5.85 1.24 1 40 ILE 2.78 0.02 1 41 ILE -0.30 0.47 1 42 GLN -1.42 0.01 1 43 ASN 0.26 -0.28 1 44 ASP 4.11 0.04 1 47 ASN 3.70 -0.66 1 48 LYS 3.36 -0.27 1 49 TYR -0.25 0.14 1 50 SER -0.11 0.17 1 52 THR -4.41 0.73 1 53 VAL -6.26 0.55 1 54 ILE -1.25 0.68 1 56 ALA -6.71 1.14 1 57 ALA -0.93 -0.01 1 58 ILE -1.34 0.73 1 59 THR -3.64 0.52 1 61 ARG 1.35 -0.24 1 62 ILE -2.61 0.05 1 65 ALA -0.95 0.05 1 69 THR 1.49 0.02 1 70 HIS -7.49 1.21 1 71 VAL -4.42 0.17 1 72 GLU 0.01 0.09 1 73 ILE -2.88 0.28 1 74 GLU -0.42 0.11 1 75 LYS 4.18 -0.39 1 76 LYS 3.91 -0.31 1 77 LYS 1.16 -0.38 1 78 TYR 1.39 0.01 1 79 LYS 5.27 -0.40 1 80 LEU -3.68 0.22 1 81 ASP 1.66 -0.27 1 82 LYS -4.13 0.15 1 83 ASP 3.76 -0.09 1 84 SER -3.72 1.02 1 85 VAL -5.33 0.67 1 86 ILE -0.42 -0.05 1 87 LEU -1.80 0.27 1 88 LEU 6.02 0.07 1 89 GLU 0.31 0.35 1 90 GLN 2.20 0.22 1 91 ILE -5.34 1.16 1 92 ARG -4.89 0.25 1 93 THR 2.51 0.76 1 94 LEU -6.16 0.66 1 95 ASP -0.85 -0.24 1 96 LYS 4.06 -0.74 1 97 LYS 3.91 -0.16 1 98 ARG 0.38 -0.16 1 99 LEU 2.34 -0.21 1 100 LYS 0.25 0.19 1 101 GLU -1.89 0.04 1 102 LYS 0.89 -0.88 1 103 LEU -0.40 0.04 1 104 THR 1.55 0.17 1 105 TYR -3.85 0.73 1 106 LEU -0.40 0.01 1 107 SER -1.32 0.06 1 108 ASP 4.13 -0.31 1 109 ASP 4.13 -0.30 1 110 LYS 3.15 0.01 1 111 MET 3.36 0.07 1 112 LYS 4.45 -0.13 1 113 GLU 2.49 -0.23 1 114 VAL 7.02 -0.72 1 115 ASP 5.22 -0.46 1 116 ASN 3.57 -0.38 1 117 ALA 2.07 -0.19 1 118 LEU 1.52 -0.39 1 119 MET 5.05 -0.59 1 120 ILE 4.24 -0.42 1 121 SER 1.65 -0.60 1 122 LEU -0.64 0.29 1 124 LEU -1.89 -0.03 1 125 ASN -0.28 -0.15 1 126 ALA -0.13 -0.05 1 127 VAL 0.44 -0.10 1 128 ALA -0.13 -0.06 1 129 HIS -0.67 -0.14 1 130 GLN -0.13 -0.05 1 131 LYS 0.05 -0.01 1 132 ASN 0.11 -0.29 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17288_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.49 _LACS_plot.Line_1_terminator_val_y_1 -2.61 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.42 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.95 _LACS_plot.Line_2_terminator_val_x_2 8.55 _LACS_plot.Line_2_terminator_val_y_2 2.41 _LACS_plot.Y_axis_chem_shift_offset 0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 70 HIS -7.49 0.71 0 132 ASN 0.11 4.19 0 10 SER 0.51 -0.22 1 11 GLN -0.66 -0.59 1 12 ASP 1.28 -0.72 1 14 ILE 0.39 -1.83 1 15 ARG -5.11 -0.70 1 16 ARG 4.38 1.99 1 18 ASP -0.42 -0.62 1 19 VAL -2.04 -0.68 1 20 TYR -7.37 -0.03 1 21 LEU -1.52 -1.52 1 22 ALA -6.42 -3.76 1 23 ASP -1.64 -0.27 1 24 LEU -0.13 -0.03 1 25 SER 3.31 -1.04 1 27 VAL -4.77 -1.71 1 28 GLN -4.38 0.00 1 30 SER 1.61 0.49 1 31 GLU 0.09 -0.76 1 32 GLN 1.52 -0.54 1 35 VAL 0.98 0.28 1 36 ARG -1.29 -2.26 1 38 VAL -6.87 -2.44 1 39 VAL -5.85 -0.72 1 40 ILE 2.78 0.32 1 41 ILE -0.30 -1.94 1 42 GLN -1.42 -3.20 1 43 ASN 0.26 -0.26 1 44 ASP 4.11 2.35 1 45 THR 8.55 2.05 1 47 ASN 3.70 2.23 1 48 LYS 3.36 1.40 1 49 TYR -0.25 0.75 1 50 SER -0.11 0.56 1 52 THR -4.41 -0.64 1 53 VAL -6.26 -2.88 1 54 ILE -1.25 -0.58 1 55 VAL -6.68 -2.86 1 56 ALA -6.71 -1.24 1 57 ALA -0.93 -3.45 1 58 ILE -1.34 -0.97 1 59 THR -3.64 -2.83 1 61 ARG 1.35 -0.44 1 69 THR 1.49 -2.80 1 71 VAL -4.42 -1.18 1 72 GLU 0.01 -0.88 1 73 ILE -2.88 -2.20 1 74 GLU -0.42 0.61 1 75 LYS 4.18 1.53 1 76 LYS 3.91 1.84 1 77 LYS 1.16 0.22 1 78 TYR 1.39 -2.84 1 79 LYS 5.27 -0.92 1 80 LEU -3.68 -0.85 1 81 ASP 1.66 -0.06 1 82 LYS -4.13 -0.51 1 83 ASP 3.76 -0.45 1 84 SER -3.72 -2.29 1 85 VAL -5.33 -2.76 1 86 ILE -0.42 -1.51 1 87 LEU -1.80 -1.45 1 88 LEU 6.02 -0.40 1 89 GLU 0.31 -0.28 1 90 GLN 2.20 -3.47 1 91 ILE -5.34 0.10 1 92 ARG -4.89 -1.71 1 93 THR 2.51 -0.99 1 94 LEU -6.16 -1.35 1 95 ASP -0.85 1.31 1 96 LYS 4.06 1.58 1 97 LYS 3.91 1.21 1 98 ARG 0.38 1.14 1 99 LEU 2.34 -1.08 1 100 LYS 0.25 -0.56 1 101 GLU -1.89 -2.05 1 102 LYS 0.89 -0.56 1 103 LEU -0.40 -0.86 1 104 THR 1.55 -3.61 1 105 TYR -3.85 -2.01 1 106 LEU -0.40 -1.51 1 107 SER -1.32 0.06 1 108 ASP 4.13 2.35 1 109 ASP 4.13 2.31 1 110 LYS 3.15 2.43 1 111 MET 3.36 2.01 1 112 LYS 4.45 3.17 1 113 GLU 2.49 3.91 1 114 VAL 7.02 0.36 1 115 ASP 5.22 2.00 1 116 ASN 3.57 2.18 1 117 ALA 2.07 2.02 1 118 LEU 1.52 0.89 1 119 MET 5.05 2.34 1 120 ILE 4.24 3.73 1 121 SER 1.65 2.68 1 122 LEU -0.64 -2.59 1 124 LEU -1.89 -1.54 1 125 ASN -0.28 -0.70 1 126 ALA -0.13 -0.20 1 127 VAL 0.44 -0.39 1 128 ALA -0.13 -0.46 1 129 HIS -0.67 0.85 1 130 GLN -0.13 -0.55 1 131 LYS 0.05 -1.31 1 stop_ save_