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 bmr17934_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.32 _LACS_plot.Line_1_terminator_val_y_1 -2.42 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.89 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.14 _LACS_plot.Line_2_terminator_val_x_2 7.53 _LACS_plot.Line_2_terminator_val_y_2 5.58 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 136 THR -1.38 -3.20 0 31 ILE -1.75 -3.44 0 12 GLU 2.83 2.47 1 13 LYS 2.68 2.40 1 15 ILE 1.89 2.47 1 16 ALA -0.75 0.48 1 17 GLN -1.93 -0.85 1 18 SER -2.00 -0.64 1 20 ASP -2.32 -1.22 1 21 TYR -5.14 -0.70 1 22 LYS -0.60 0.06 1 23 ALA -3.46 -0.93 1 24 ALA -1.95 -0.93 1 25 TYR -4.61 -3.56 1 26 LEU 2.96 1.63 1 28 SER -3.87 -2.04 1 29 MET -5.73 -1.36 1 30 LEU 0.89 1.15 1 32 LYS 2.68 2.40 1 33 GLU -2.80 -1.75 1 34 LEU 0.43 -0.25 1 35 ARG -0.73 -1.15 1 37 THR 5.19 3.83 1 38 GLU 3.77 3.41 1 40 THR 6.12 4.30 1 41 GLN 6.05 4.78 1 42 ASP 2.36 3.46 1 43 ALA 2.69 2.82 1 45 ALA 3.98 2.82 1 47 MET 3.75 1.80 1 48 ARG 5.37 4.95 1 49 ALA 3.63 2.35 1 50 ASN 2.68 2.69 1 52 GLN 1.36 1.03 1 53 LYS 0.81 1.00 1 55 THR 2.85 1.96 1 56 GLU 1.42 1.53 1 57 GLN 2.29 1.96 1 58 MET 2.03 1.33 1 59 LYS 1.28 1.00 1 60 LYS 0.34 0.06 1 61 VAL 0.45 0.20 1 63 THR 1.44 1.02 1 64 ILE -6.39 -2.50 1 65 ILE -0.97 -1.02 1 66 LEU -3.02 -1.19 1 67 SER -1.99 -1.10 1 68 VAL -0.70 0.15 1 69 SER -5.28 -1.10 1 70 ALA 1.91 1.41 1 71 LYS 0.81 1.00 1 73 VAL -4.46 -1.73 1 74 LYS -5.29 -1.82 1 75 PHE -4.79 -3.78 1 76 ILE -4.45 -2.03 1 77 ASP -0.91 1.59 1 78 ALA 2.64 2.33 1 79 THR 3.31 2.89 1 80 ASN -0.13 0.35 1 82 ASN 0.33 -0.12 1 83 ILE 2.08 1.25 1 84 ILE 1.67 1.71 1 88 GLU -0.45 0.13 1 89 ILE 1.14 1.25 1 90 ARG 3.49 1.66 1 91 ASN -1.54 -0.59 1 92 ILE -0.27 0.78 1 93 SER -3.41 -0.64 1 95 ALA -0.05 0.15 1 96 ALA -3.66 -0.06 1 97 GLN -5.21 -0.85 1 98 ASP -1.46 -0.16 1 100 GLU -0.92 0.13 1 101 ASP 0.02 -0.29 1 102 LEU 2.30 2.56 1 103 SER 2.69 2.65 1 104 THR 1.91 1.49 1 105 PHE -4.57 -2.38 1 107 TYR -2.81 -0.82 1 108 ILE -2.14 -1.56 1 110 LYS -1.54 -0.41 1 111 ASP -2.32 -0.29 1 112 LEU 2.70 2.09 1 113 LYS 2.21 1.93 1 114 SER -1.06 0.30 1 115 ASN 2.20 1.28 1 116 HIS -3.74 -0.09 1 117 HIS -2.00 1.35 1 118 TYR -5.61 -1.17 1 120 HIS -3.03 0.32 1 121 VAL -1.17 -0.79 1 122 PHE -7.32 -2.38 1 123 THR -1.38 0.04 1 124 ALA -3.61 -1.61 1 125 PHE 4.31 2.77 1 126 ASP -3.72 -0.75 1 127 VAL 4.50 3.43 1 128 ASN 4.08 3.16 1 129 LEU 2.70 2.09 1 130 ALA 3.31 3.28 1 131 ALA 4.55 3.28 1 132 GLU 3.30 2.94 1 133 ILE 7.54 5.39 1 134 ILE 4.88 2.18 1 135 LEU 3.63 3.09 1 137 LEU 4.01 3.16 1 139 GLN 4.17 2.90 1 140 ALA 4.97 3.28 1 141 PHE 3.76 3.54 1 142 GLU 3.30 2.94 1 143 VAL 5.39 4.37 1 144 ALA 3.61 3.28 1 145 TYR 3.80 2.98 1 146 GLN 4.17 2.90 1 147 LEU 2.77 2.56 1 148 ALA 2.84 1.60 1 149 LEU 2.11 1.80 1 150 GLN 1.83 1.50 1 151 ALA 0.80 0.36 1 152 ARG 0.21 0.26 1 153 LYS -0.13 0.06 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17934_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.32 _LACS_plot.Line_1_terminator_val_y_1 4.90 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.11 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.86 _LACS_plot.Line_2_terminator_val_x_2 7.53 _LACS_plot.Line_2_terminator_val_y_2 -1.95 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 136 THR -1.38 -1.82 0 31 ILE -1.75 -1.69 0 12 GLU 2.83 -0.36 1 13 LYS 2.68 -0.28 1 15 ILE 1.89 0.58 1 16 ALA -0.75 1.23 1 17 GLN -1.93 1.08 1 18 SER -2.00 1.36 1 20 ASP -2.32 1.10 1 21 TYR -5.14 4.44 1 22 LYS -0.60 0.66 1 23 ALA -3.46 2.53 1 24 ALA -1.95 1.02 1 25 TYR -4.61 1.05 1 26 LEU 2.96 -1.33 1 28 SER -3.87 1.83 1 29 MET -5.73 4.37 1 30 LEU 0.89 0.26 1 32 LYS 2.68 -0.28 1 33 GLU -2.80 1.05 1 34 LEU 0.43 -0.68 1 35 ARG -0.73 -0.42 1 37 THR 5.19 -1.36 1 38 GLU 3.77 -0.36 1 40 THR 6.12 -1.82 1 41 GLN 6.05 -1.27 1 42 ASP 2.36 1.10 1 43 ALA 2.69 0.13 1 45 ALA 3.98 -1.16 1 47 MET 3.75 -1.95 1 48 ARG 5.37 -0.42 1 49 ALA 3.63 -1.28 1 50 ASN 2.68 0.01 1 52 GLN 1.36 -0.33 1 53 LYS 0.81 0.19 1 55 THR 2.85 -0.89 1 56 GLU 1.42 0.11 1 57 GLN 2.29 -0.33 1 58 MET 2.03 -0.70 1 59 LYS 1.28 -0.28 1 60 LYS 0.34 -0.28 1 61 VAL 0.45 -0.25 1 63 THR 1.44 -0.42 1 64 ILE -6.39 3.89 1 65 ILE -0.97 -0.05 1 66 LEU -3.02 1.83 1 67 SER -1.99 0.89 1 68 VAL -0.70 0.85 1 69 SER -5.28 4.18 1 70 ALA 1.91 -0.50 1 71 LYS 0.81 0.19 1 73 VAL -4.46 2.73 1 74 LYS -5.29 3.47 1 75 PHE -4.79 1.01 1 76 ILE -4.45 2.42 1 77 ASP -0.91 2.50 1 78 ALA 2.64 -0.31 1 79 THR 3.31 -0.42 1 80 ASN -0.13 0.48 1 82 ASN 0.33 -0.45 1 83 ILE 2.08 -0.83 1 84 ILE 1.67 0.04 1 88 GLU -0.45 0.58 1 89 ILE 1.14 0.11 1 90 ARG 3.49 -1.83 1 91 ASN -1.54 0.95 1 92 ILE -0.27 1.05 1 93 SER -3.41 2.77 1 95 ALA -0.05 0.20 1 96 ALA -3.66 3.60 1 97 GLN -5.21 4.36 1 98 ASP -1.46 1.30 1 100 GLU -0.92 1.05 1 101 ASP 0.02 -0.31 1 102 LEU 2.30 0.26 1 103 SER 2.69 -0.04 1 104 THR 1.91 -0.42 1 105 PHE -4.57 2.19 1 107 TYR -2.81 1.99 1 108 ILE -2.14 0.58 1 110 LYS -1.54 1.13 1 111 ASP -2.32 2.03 1 112 LEU 2.70 -0.61 1 113 LYS 2.21 -0.28 1 114 SER -1.06 1.36 1 115 ASN 2.20 -0.92 1 116 HIS -3.74 3.65 1 117 HIS -2.00 3.35 1 118 TYR -5.61 4.44 1 120 HIS -3.03 3.35 1 121 VAL -1.17 0.38 1 122 PHE -7.32 4.94 1 123 THR -1.38 1.42 1 124 ALA -3.61 2.00 1 125 PHE 4.31 -1.54 1 126 ASP -3.72 2.97 1 127 VAL 4.50 -1.07 1 128 ASN 4.08 -0.92 1 129 LEU 2.70 -0.61 1 130 ALA 3.31 -0.03 1 131 ALA 4.55 -1.27 1 132 GLU 3.30 -0.36 1 133 ILE 7.54 -2.15 1 134 ILE 4.88 -2.70 1 135 LEU 3.63 -0.54 1 137 LEU 4.01 -0.85 1 139 GLN 4.17 -1.27 1 140 ALA 4.97 -1.69 1 141 PHE 3.76 -0.22 1 142 GLU 3.30 -0.36 1 143 VAL 5.39 -1.02 1 144 ALA 3.61 -0.33 1 145 TYR 3.80 -0.82 1 146 GLN 4.17 -1.27 1 147 LEU 2.77 -0.21 1 148 ALA 2.84 -1.24 1 149 LEU 2.11 -0.31 1 150 GLN 1.83 -0.33 1 151 ALA 0.80 -0.44 1 152 ARG 0.21 0.05 1 153 LYS -0.13 0.19 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17934_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.32 _LACS_plot.Line_1_terminator_val_y_1 0.74 _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 0.22 _LACS_plot.Line_2_terminator_val_x_2 7.53 _LACS_plot.Line_2_terminator_val_y_2 -0.72 _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 104 THR 1.91 1.02 0 12 GLU 2.83 -0.23 1 15 ILE 1.89 -0.35 1 16 ALA -0.75 0.12 1 17 GLN -1.93 0.23 1 18 SER -2.00 -0.08 1 21 TYR -5.14 0.18 1 22 LYS -0.60 0.87 1 23 ALA -3.46 0.41 1 24 ALA -1.95 0.86 1 25 TYR -4.61 0.46 1 26 LEU 2.96 -0.42 1 28 SER -3.87 1.32 1 29 MET -5.73 0.24 1 30 LEU 0.89 -0.55 1 31 ILE -1.75 0.02 1 32 LYS 2.68 -0.27 1 33 GLU -2.80 0.04 1 34 LEU 0.43 -0.40 1 35 ARG -0.73 0.21 1 37 THR 5.19 -0.29 1 38 GLU 3.77 -0.22 1 40 THR 6.12 -0.30 1 41 GLN 6.05 -0.58 1 42 ASP 2.36 -0.28 1 43 ALA 2.69 -0.33 1 45 ALA 3.98 -0.32 1 47 MET 3.75 -0.27 1 48 ARG 5.37 -0.48 1 49 ALA 3.63 -0.58 1 50 ASN 2.68 -0.27 1 52 GLN 1.36 -0.11 1 55 THR 2.85 -0.05 1 56 GLU 1.42 -0.20 1 57 GLN 2.29 -0.20 1 58 MET 2.03 -0.13 1 59 LYS 1.28 -0.09 1 60 LYS 0.34 0.01 1 61 VAL 0.45 -0.06 1 63 THR 1.44 0.48 1 65 ILE -0.97 0.57 1 66 LEU -3.02 0.51 1 67 SER -1.99 0.94 1 68 VAL -0.70 0.37 1 69 SER -5.28 0.37 1 70 ALA 1.91 -0.17 1 71 LYS 0.81 -0.04 1 73 VAL -4.46 0.88 1 74 LYS -5.29 0.70 1 75 PHE -4.79 1.08 1 76 ILE -4.45 0.67 1 77 ASP -0.91 -0.08 1 78 ALA 2.64 -0.35 1 79 THR 3.31 -0.16 1 80 ASN -0.13 0.00 1 82 ASN 0.33 -0.15 1 83 ILE 2.08 -0.14 1 84 ILE 1.67 -0.25 1 88 GLU -0.45 0.17 1 89 ILE 1.14 -0.15 1 90 ARG 3.49 0.00 1 91 ASN -1.54 0.41 1 92 ILE -0.27 0.90 1 93 SER -3.41 0.21 1 95 ALA -0.05 0.11 1 96 ALA -3.66 0.36 1 97 GLN -5.21 0.59 1 100 GLU -0.92 -0.13 1 101 ASP 0.02 -0.10 1 102 LEU 2.30 0.05 1 103 SER 2.69 -0.18 1 105 PHE -4.57 0.85 1 107 TYR -2.81 0.37 1 108 ILE -2.14 1.20 1 110 LYS -1.54 0.14 1 111 ASP -2.32 0.14 1 112 LEU 2.70 -0.19 1 113 LYS 2.21 -0.06 1 115 ASN 2.20 -0.35 1 116 HIS -3.74 0.20 1 117 HIS -2.00 0.59 1 118 TYR -5.61 0.46 1 120 HIS -3.03 -0.03 1 121 VAL -1.17 0.23 1 122 PHE -7.32 0.80 1 123 THR -1.38 0.80 1 124 ALA -3.61 0.40 1 125 PHE 4.31 -0.33 1 126 ASP -3.72 0.20 1 127 VAL 4.50 -0.53 1 128 ASN 4.08 -0.26 1 129 LEU 2.70 -0.13 1 130 ALA 3.31 -1.01 1 131 ALA 4.55 -0.61 1 132 GLU 3.30 -0.46 1 133 ILE 7.54 -1.39 1 134 ILE 4.88 -0.63 1 135 LEU 3.63 -0.15 1 136 THR -1.38 -0.62 1 137 LEU 4.01 -0.60 1 140 ALA 4.97 -0.61 1 141 PHE 3.76 -0.53 1 142 GLU 3.30 -0.12 1 143 VAL 5.39 -0.44 1 144 ALA 3.61 -0.32 1 145 TYR 3.80 -0.36 1 146 GLN 4.17 -0.43 1 147 LEU 2.77 -0.24 1 148 ALA 2.84 -0.18 1 149 LEU 2.11 -0.26 1 150 GLN 1.83 -0.19 1 151 ALA 0.80 -0.07 1 152 ARG 0.21 -0.08 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr17934_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.32 _LACS_plot.Line_1_terminator_val_y_1 -2.63 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.70 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.77 _LACS_plot.Line_2_terminator_val_x_2 7.53 _LACS_plot.Line_2_terminator_val_y_2 2.62 _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 105 PHE -4.57 3.41 0 45 ALA 3.98 -4.29 0 12 GLU 2.83 1.57 1 13 LYS 2.68 -0.12 1 15 ILE 1.89 -0.02 1 16 ALA -0.75 -0.31 1 17 GLN -1.93 -2.37 1 18 SER -2.00 -0.82 1 21 TYR -5.14 -0.11 1 22 LYS -0.60 -0.81 1 23 ALA -3.46 -3.29 1 24 ALA -1.95 -0.96 1 26 LEU 2.96 -1.62 1 29 MET -5.73 -2.16 1 30 LEU 0.89 -1.74 1 31 ILE -1.75 -1.52 1 32 LYS 2.68 -0.33 1 33 GLU -2.80 -2.64 1 34 LEU 0.43 -0.73 1 35 ARG -0.73 -0.19 1 37 THR 5.19 1.93 1 38 GLU 3.77 3.38 1 40 THR 6.12 1.27 1 41 GLN 6.05 2.48 1 42 ASP 2.36 1.18 1 43 ALA 2.69 1.97 1 47 MET 3.75 3.23 1 48 ARG 5.37 2.58 1 49 ALA 3.63 2.37 1 50 ASN 2.68 1.88 1 56 GLU 1.42 1.06 1 57 GLN 2.29 1.28 1 58 MET 2.03 0.87 1 59 LYS 1.28 0.08 1 60 LYS 0.34 -0.26 1 61 VAL 0.45 -0.69 1 63 THR 1.44 -0.02 1 65 ILE -0.97 -1.02 1 66 LEU -3.02 -2.62 1 67 SER -1.99 -0.19 1 68 VAL -0.70 -2.41 1 69 SER -5.28 -1.41 1 70 ALA 1.91 -1.09 1 71 LYS 0.81 0.43 1 76 ILE -4.45 -1.15 1 77 ASP -0.91 1.27 1 78 ALA 2.64 0.25 1 79 THR 3.31 0.89 1 82 ASN 0.33 -0.20 1 83 ILE 2.08 0.17 1 84 ILE 1.67 -0.53 1 88 GLU -0.45 2.45 1 89 ILE 1.14 -0.31 1 90 ARG 3.49 0.28 1 91 ASN -1.54 -0.61 1 92 ILE -0.27 -1.17 1 95 ALA -0.05 0.30 1 96 ALA -3.66 -2.08 1 97 GLN -5.21 -0.73 1 98 ASP -1.46 0.22 1 100 GLU -0.92 0.08 1 101 ASP 0.02 -1.53 1 102 LEU 2.30 -0.46 1 103 SER 2.69 -0.49 1 108 ILE -2.14 -0.19 1 110 LYS -1.54 -0.66 1 111 ASP -2.32 0.10 1 112 LEU 2.70 0.95 1 113 LYS 2.21 0.58 1 115 ASN 2.20 -1.00 1 116 HIS -3.74 -0.20 1 117 HIS -2.00 -0.41 1 118 TYR -5.61 -2.37 1 121 VAL -1.17 -2.88 1 122 PHE -7.32 -0.92 1 123 THR -1.38 -0.60 1 124 ALA -3.61 -0.63 1 125 PHE 4.31 -1.10 1 126 ASP -3.72 0.23 1 127 VAL 4.50 0.56 1 128 ASN 4.08 3.05 1 129 LEU 2.70 0.40 1 130 ALA 3.31 0.37 1 131 ALA 4.55 2.36 1 132 GLU 3.30 2.64 1 133 ILE 7.54 1.02 1 134 ILE 4.88 2.98 1 135 LEU 3.63 2.26 1 136 THR -1.38 1.39 1 137 LEU 4.01 0.74 1 139 GLN 4.17 1.89 1 140 ALA 4.97 1.19 1 141 PHE 3.76 2.33 1 142 GLU 3.30 2.65 1 143 VAL 5.39 1.77 1 144 ALA 3.61 2.98 1 145 TYR 3.80 1.75 1 146 GLN 4.17 3.39 1 147 LEU 2.77 2.00 1 148 ALA 2.84 2.07 1 149 LEU 2.11 1.57 1 150 GLN 1.83 0.59 1 151 ALA 0.80 0.05 1 152 ARG 0.21 -0.17 1 153 LYS -0.13 -0.37 1 stop_ save_