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 bmr17277_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.01 _LACS_plot.Line_1_terminator_val_y_1 -2.78 _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 -1.76 _LACS_plot.Line_2_terminator_val_x_2 7.54 _LACS_plot.Line_2_terminator_val_y_2 5.82 _LACS_plot.Y_axis_chem_shift_offset 0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 90 VAL -8.01 -1.44 0 10 ALA -0.05 -0.38 1 11 PHE -4.16 -1.17 1 12 SER -0.06 -0.66 1 13 LEU -1.59 0.89 1 15 ASP -2.52 -1.54 1 16 LEU 2.97 1.87 1 17 HIS -0.88 0.07 1 19 LYS -0.46 -0.64 1 20 THR 5.05 4.27 1 21 VAL -1.21 -0.73 1 22 SER -5.54 -1.11 1 23 ASN 5.16 3.81 1 24 ALA 3.87 2.84 1 25 ASP 2.29 2.39 1 26 LEU 1.12 -0.10 1 27 GLN 2.42 1.16 1 29 LYS -4.99 -1.95 1 30 VAL -0.46 -0.15 1 31 THR -2.38 -0.99 1 32 LEU -5.95 -2.14 1 33 ILE 0.20 -0.87 1 34 ASN -6.31 -0.59 1 35 PHE -0.46 0.35 1 36 TRP -5.76 -2.75 1 37 PHE 5.28 1.77 1 39 SER 1.92 0.25 1 44 VAL 5.41 4.03 1 45 SER 1.41 0.71 1 46 GLU 0.58 3.74 1 47 MET 4.25 2.65 1 49 LYS 7.15 4.37 1 50 ILE 6.12 6.06 1 51 ILE 4.33 3.76 1 52 LYS 6.83 5.97 1 53 THR 3.97 2.94 1 54 ALA 3.33 3.03 1 55 ASN 4.35 2.85 1 56 ASP 2.57 1.30 1 57 TYR 3.75 3.17 1 58 LYS 1.24 0.33 1 59 ASN -1.31 -1.01 1 60 LYS 2.44 0.72 1 61 ASN -6.13 -2.20 1 62 PHE -4.53 -2.87 1 63 GLN -3.35 -2.24 1 64 VAL -3.01 -1.96 1 65 LEU -2.30 -1.97 1 66 ALA 2.13 0.19 1 67 VAL -2.80 -2.38 1 68 ALA -2.79 -2.40 1 69 GLN 1.53 1.07 1 71 ILE -2.40 -1.07 1 72 ASP 5.42 3.97 1 74 ILE 5.91 4.32 1 75 GLU 3.94 2.76 1 76 SER 6.45 4.85 1 77 VAL 5.40 4.78 1 78 ARG 3.84 2.84 1 79 GLN 3.26 4.08 1 80 TYR 6.02 5.25 1 81 VAL 3.51 2.84 1 82 LYS 4.16 3.25 1 83 ASP 1.69 0.58 1 84 TYR 2.18 0.75 1 86 LEU -6.64 -5.11 1 88 PHE 2.94 3.12 1 89 THR -3.82 -1.92 1 91 MET -1.56 -0.02 1 92 TYR -0.33 -1.77 1 93 ASP 3.17 3.87 1 94 ALA -1.43 -1.37 1 95 ASP 5.96 2.82 1 96 LYS 2.67 3.44 1 97 ALA 7.55 5.38 1 98 VAL 4.35 3.20 1 100 GLN 4.36 2.74 1 101 ALA 1.58 1.87 1 102 PHE 1.15 0.68 1 104 THR -3.06 0.86 1 105 GLN -4.30 -2.30 1 106 VAL -2.74 0.15 1 107 TYR -2.99 1.87 1 109 THR -3.32 -0.34 1 110 SER -3.90 -1.15 1 111 VAL -4.35 -1.26 1 112 LEU -3.30 -1.98 1 113 ILE 1.94 2.09 1 115 LYS 0.41 -1.19 1 116 LYS -1.62 -2.00 1 118 GLU 3.10 1.94 1 119 ILE 0.26 0.95 1 120 LEU -5.49 -1.29 1 121 LYS 0.00 0.51 1 122 THR -1.74 -0.94 1 123 TYR 2.86 0.85 1 124 VAL -1.08 0.52 1 126 GLU -0.76 -1.13 1 128 ASP 7.31 5.80 1 129 PHE 3.26 2.20 1 131 LYS 3.34 3.02 1 132 LEU 4.73 2.77 1 133 TYR 4.50 3.44 1 134 GLN 3.44 2.54 1 135 GLU 6.29 5.37 1 136 ILE 4.20 3.80 1 137 ASP 5.29 4.53 1 138 THR 2.19 2.15 1 139 ALA 3.16 2.35 1 140 TRP 1.86 1.54 1 141 ARG 0.90 0.67 1 142 ASN 0.28 0.33 1 143 SER 0.54 0.50 1 144 ASP 0.48 0.57 1 145 ALA 0.15 0.33 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17277_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.01 _LACS_plot.Line_1_terminator_val_y_1 5.23 _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 0.24 _LACS_plot.Line_2_terminator_val_x_2 7.54 _LACS_plot.Line_2_terminator_val_y_2 -1.72 _LACS_plot.Y_axis_chem_shift_offset 0.16 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 90 VAL -8.01 6.57 0 10 ALA -0.05 -0.33 1 11 PHE -4.16 2.99 1 12 SER -0.06 -0.60 1 13 LEU -1.59 2.48 1 15 ASP -2.52 0.98 1 16 LEU 2.97 -1.10 1 17 HIS -0.88 0.95 1 19 LYS -0.46 -0.18 1 20 THR 5.05 -0.78 1 21 VAL -1.21 0.48 1 22 SER -5.54 4.43 1 23 ASN 5.16 -1.35 1 24 ALA 3.87 -1.03 1 25 ASP 2.29 0.10 1 26 LEU 1.12 -1.22 1 27 GLN 2.42 -1.26 1 29 LYS -4.99 3.04 1 30 VAL -0.46 0.31 1 31 THR -2.38 1.39 1 32 LEU -5.95 3.81 1 33 ILE 0.20 -1.07 1 34 ASN -6.31 5.72 1 35 PHE -0.46 0.81 1 36 TRP -5.76 3.01 1 37 PHE 5.28 -3.51 1 39 SER 1.92 -1.67 1 44 VAL 5.41 -1.38 1 45 SER 1.41 -0.70 1 46 GLU 0.58 3.16 1 47 MET 4.25 -1.60 1 49 LYS 7.15 -2.78 1 50 ILE 6.12 -0.06 1 51 ILE 4.33 -0.57 1 52 LYS 6.83 -0.86 1 53 THR 3.97 -1.03 1 54 ALA 3.33 -0.30 1 55 ASN 4.35 -1.50 1 56 ASP 2.57 -1.27 1 57 TYR 3.75 -0.58 1 58 LYS 1.24 -0.91 1 59 ASN -1.31 0.30 1 60 LYS 2.44 -1.72 1 61 ASN -6.13 3.93 1 62 PHE -4.53 1.66 1 63 GLN -3.35 1.11 1 64 VAL -3.01 1.05 1 65 LEU -2.30 0.33 1 66 ALA 2.13 -1.94 1 67 VAL -2.80 0.42 1 68 ALA -2.79 0.39 1 69 GLN 1.53 -0.46 1 71 ILE -2.40 1.33 1 72 ASP 5.42 -1.45 1 74 ILE 5.91 -1.59 1 75 GLU 3.94 -1.18 1 76 SER 6.45 -1.60 1 77 VAL 5.40 -0.62 1 78 ARG 3.84 -1.00 1 79 GLN 3.26 0.82 1 80 TYR 6.02 -0.77 1 81 VAL 3.51 -0.67 1 82 LYS 4.16 -0.91 1 83 ASP 1.69 -1.11 1 84 TYR 2.18 -1.43 1 86 LEU -6.64 1.53 1 88 PHE 2.94 0.18 1 89 THR -3.82 1.90 1 91 MET -1.56 1.54 1 92 TYR -0.33 -1.44 1 93 ASP 3.17 0.70 1 94 ALA -1.43 0.06 1 95 ASP 5.96 -3.14 1 96 LYS 2.67 0.77 1 97 ALA 7.55 -2.17 1 98 VAL 4.35 -1.15 1 100 GLN 4.36 -1.62 1 101 ALA 1.58 0.29 1 102 PHE 1.15 -0.47 1 104 THR -3.06 3.92 1 105 GLN -4.30 2.00 1 106 VAL -2.74 2.89 1 107 TYR -2.99 4.86 1 109 THR -3.32 2.98 1 110 SER -3.90 2.75 1 111 VAL -4.35 3.09 1 112 LEU -3.30 1.32 1 113 ILE 1.94 0.15 1 115 LYS 0.41 -1.60 1 116 LYS -1.62 -0.38 1 118 GLU 3.10 -1.16 1 119 ILE 0.26 0.69 1 120 LEU -5.49 4.20 1 121 LYS 0.00 0.51 1 122 THR -1.74 0.80 1 123 TYR 2.86 -2.01 1 124 VAL -1.08 1.60 1 126 GLU -0.76 -0.37 1 128 ASP 7.31 -1.51 1 129 PHE 3.26 -1.06 1 131 LYS 3.34 -0.32 1 132 LEU 4.73 -1.96 1 133 TYR 4.50 -1.06 1 134 GLN 3.44 -0.90 1 135 GLU 6.29 -0.92 1 136 ILE 4.20 -0.40 1 137 ASP 5.29 -0.76 1 138 THR 2.19 -0.04 1 139 ALA 3.16 -0.81 1 140 TRP 1.86 -0.32 1 141 ARG 0.90 -0.23 1 142 ASN 0.28 0.05 1 143 SER 0.54 -0.04 1 144 ASP 0.48 0.09 1 145 ALA 0.15 0.18 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17277_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.01 _LACS_plot.Line_1_terminator_val_y_1 0.81 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.10 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.27 _LACS_plot.Line_2_terminator_val_x_2 7.54 _LACS_plot.Line_2_terminator_val_y_2 -0.59 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 109 THR -3.32 1.80 0 10 ALA -0.05 0.11 1 11 PHE -4.16 0.23 1 12 SER -0.06 0.58 1 13 LEU -1.59 0.44 1 15 ASP -2.52 0.37 1 16 LEU 2.97 -0.17 1 17 HIS -0.88 0.14 1 19 LYS -0.46 0.16 1 20 THR 5.05 -0.56 1 21 VAL -1.21 0.40 1 22 SER -5.54 0.17 1 23 ASN 5.16 -0.83 1 24 ALA 3.87 -0.19 1 25 ASP 2.29 -0.14 1 26 LEU 1.12 -0.42 1 27 GLN 2.42 -0.41 1 29 LYS -4.99 0.61 1 30 VAL -0.46 0.65 1 31 THR -2.38 0.78 1 32 LEU -5.95 0.91 1 33 ILE 0.20 0.71 1 34 ASN -6.31 0.56 1 35 PHE -0.46 0.92 1 36 TRP -5.76 0.30 1 37 PHE 5.28 -1.56 1 39 SER 1.92 0.02 1 44 VAL 5.41 -0.39 1 45 SER 1.41 -0.03 1 46 GLU 0.58 -0.39 1 47 MET 4.25 -0.47 1 49 LYS 7.15 -0.49 1 50 ILE 6.12 -0.48 1 51 ILE 4.33 -0.20 1 52 LYS 6.83 -0.04 1 53 THR 3.97 -0.11 1 54 ALA 3.33 -0.15 1 55 ASN 4.35 -0.25 1 56 ASP 2.57 -0.37 1 57 TYR 3.75 0.01 1 58 LYS 1.24 0.21 1 59 ASN -1.31 -0.14 1 60 LYS 2.44 -0.14 1 61 ASN -6.13 1.38 1 62 PHE -4.53 0.39 1 63 GLN -3.35 0.55 1 64 VAL -3.01 0.34 1 65 LEU -2.30 0.83 1 66 ALA 2.13 0.21 1 67 VAL -2.80 -0.32 1 68 ALA -2.79 -0.38 1 69 GLN 1.53 -0.69 1 71 ILE -2.40 0.28 1 72 ASP 5.42 -0.96 1 74 ILE 5.91 -0.37 1 75 GLU 3.94 0.03 1 76 SER 6.45 -0.43 1 77 VAL 5.40 -0.46 1 78 ARG 3.84 -0.38 1 79 GLN 3.26 -0.10 1 80 TYR 6.02 -0.49 1 81 VAL 3.51 -0.18 1 82 LYS 4.16 -0.50 1 83 ASP 1.69 -0.25 1 84 TYR 2.18 -0.97 1 86 LEU -6.64 0.48 1 88 PHE 2.94 -0.03 1 89 THR -3.82 1.30 1 90 VAL -8.01 0.51 1 91 MET -1.56 0.17 1 92 TYR -0.33 0.05 1 93 ASP 3.17 -0.84 1 94 ALA -1.43 0.11 1 95 ASP 5.96 -0.67 1 96 LYS 2.67 -0.27 1 97 ALA 7.55 -0.17 1 98 VAL 4.35 -0.12 1 100 GLN 4.36 -0.16 1 101 ALA 1.58 -0.46 1 102 PHE 1.15 -0.45 1 104 THR -3.06 0.07 1 105 GLN -4.30 0.04 1 106 VAL -2.74 -0.02 1 107 TYR -2.99 0.88 1 110 SER -3.90 0.80 1 111 VAL -4.35 1.05 1 112 LEU -3.30 1.02 1 113 ILE 1.94 0.56 1 115 LYS 0.41 0.47 1 116 LYS -1.62 0.36 1 118 GLU 3.10 -0.17 1 119 ILE 0.26 0.14 1 120 LEU -5.49 0.06 1 121 LYS 0.00 0.48 1 122 THR -1.74 0.06 1 123 TYR 2.86 0.24 1 124 VAL -1.08 0.39 1 126 GLU -0.76 -0.01 1 128 ASP 7.31 -0.84 1 129 PHE 3.26 -0.15 1 131 LYS 3.34 -0.14 1 132 LEU 4.73 -0.44 1 133 TYR 4.50 -0.11 1 134 GLN 3.44 -0.29 1 135 GLU 6.29 -0.74 1 136 ILE 4.20 -0.02 1 137 ASP 5.29 -0.38 1 138 THR 2.19 -0.06 1 139 ALA 3.16 -0.17 1 140 TRP 1.86 -0.50 1 141 ARG 0.90 -0.08 1 142 ASN 0.28 -0.01 1 143 SER 0.54 -0.05 1 144 ASP 0.48 -0.07 1 145 ALA 0.15 -0.11 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17277_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.01 _LACS_plot.Line_1_terminator_val_y_1 -3.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.75 _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 7.54 _LACS_plot.Line_2_terminator_val_y_2 2.86 _LACS_plot.Y_axis_chem_shift_offset 0.17 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 95 ASP 5.96 -1.15 0 22 SER -5.54 0.80 0 15 ASP -2.52 2.86 0 10 ALA -0.05 0.54 1 11 PHE -4.16 -2.49 1 12 SER -0.06 -1.11 1 16 LEU 2.97 0.45 1 17 HIS -0.88 1.75 1 19 LYS -0.46 -0.03 1 20 THR 5.05 -1.40 1 21 VAL -1.21 -2.30 1 23 ASN 5.16 2.39 1 24 ALA 3.87 2.39 1 25 ASP 2.29 0.09 1 26 LEU 1.12 0.62 1 27 GLN 2.42 1.79 1 29 LYS -4.99 -3.25 1 30 VAL -0.46 -1.17 1 31 THR -2.38 -1.81 1 32 LEU -5.95 -3.04 1 33 ILE 0.20 -1.72 1 34 ASN -6.31 -2.34 1 35 PHE -0.46 -1.56 1 36 TRP -5.76 -2.17 1 39 SER 1.92 -0.63 1 44 VAL 5.41 2.06 1 45 SER 1.41 2.46 1 46 GLU 0.58 1.69 1 47 MET 4.25 3.37 1 49 LYS 7.15 1.74 1 50 ILE 6.12 1.10 1 51 ILE 4.33 1.15 1 52 LYS 6.83 1.40 1 53 THR 3.97 2.54 1 54 ALA 3.33 3.12 1 55 ASN 4.35 1.96 1 56 ASP 2.57 -0.06 1 57 TYR 3.75 0.58 1 58 LYS 1.24 -0.17 1 59 ASN -1.31 -1.81 1 60 LYS 2.44 -2.55 1 61 ASN -6.13 -1.23 1 62 PHE -4.53 -4.28 1 63 GLN -3.35 -1.00 1 64 VAL -3.01 -3.70 1 65 LEU -2.30 -1.88 1 66 ALA 2.13 -1.97 1 67 VAL -2.80 -0.91 1 68 ALA -2.79 1.10 1 69 GLN 1.53 -0.46 1 71 ILE -2.40 -1.07 1 72 ASP 5.42 0.40 1 74 ILE 5.91 3.07 1 75 GLU 3.94 2.75 1 76 SER 6.45 0.80 1 77 VAL 5.40 3.10 1 78 ARG 3.84 0.58 1 79 GLN 3.26 2.16 1 80 TYR 6.02 1.89 1 81 VAL 3.51 2.53 1 82 LYS 4.16 1.97 1 83 ASP 1.69 -0.02 1 84 TYR -6.64 -1.04 1 88 PHE 2.94 -2.16 1 89 THR -3.82 -1.35 1 90 VAL -8.01 -2.74 1 91 MET -1.56 -1.47 1 92 TYR -0.33 0.52 1 93 ASP 3.17 -0.47 1 94 ALA -1.43 0.11 1 96 LYS 2.67 3.44 1 97 ALA 7.55 2.92 1 98 VAL 4.35 3.90 1 100 GLN 4.36 1.93 1 101 ALA 1.58 -0.39 1 102 PHE 1.15 -0.06 1 104 THR -3.06 -1.81 1 105 GLN -4.30 -3.58 1 106 VAL -2.74 -1.58 1 107 TYR -2.99 -1.61 1 109 THR -3.32 -2.24 1 110 SER -3.90 -2.46 1 111 VAL -4.35 -2.95 1 112 LEU -3.30 0.04 1 113 ILE 1.94 2.83 1 115 LYS 0.41 1.29 1 116 LYS -1.62 -1.63 1 118 GLU 3.10 -0.06 1 119 ILE 0.26 0.20 1 120 LEU -5.49 -2.91 1 121 LYS 0.00 -1.70 1 122 THR -1.74 -2.25 1 123 TYR 2.86 1.17 1 124 VAL -1.08 1.68 1 126 GLU -0.76 0.90 1 128 ASP 7.31 1.78 1 129 PHE 3.26 2.43 1 131 LYS 3.34 0.60 1 132 LEU 4.73 1.98 1 133 TYR 4.50 3.28 1 134 GLN 3.44 3.53 1 135 GLU 6.29 1.33 1 136 ILE 4.20 2.99 1 137 ASP 5.29 1.14 1 138 THR 2.19 2.33 1 139 ALA 3.16 1.59 1 140 TRP 1.86 0.53 1 141 ARG 0.90 0.41 1 142 ASN 0.28 -0.08 1 143 SER 0.54 0.03 1 144 ASP 0.48 0.27 1 145 ALA 0.15 0.59 1 stop_ save_