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 bmr6052_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.90 _LACS_plot.Line_1_terminator_val_y_1 -2.79 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.20 _LACS_plot.Line_2_terminator_val_x_2 6.70 _LACS_plot.Line_2_terminator_val_y_2 4.98 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 102 PHE -0.30 -3.30 0 11 MET 0.10 0.30 1 12 GLU -4.19 -0.99 1 13 THR -0.10 0.10 1 14 ASP 0.40 0.40 1 16 ASN -0.20 0.10 1 18 MET 1.00 0.60 1 19 GLU -2.60 0.00 1 20 LEU 0.40 0.50 1 21 SER 0.60 0.60 1 22 SER 0.40 0.40 1 23 MET 0.30 0.30 1 24 SER 0.60 0.70 1 26 PHE -0.00 0.10 1 27 GLU -0.40 0.00 1 28 GLU -0.10 0.30 1 30 SER 0.00 0.30 1 31 GLU 0.40 0.40 1 32 LEU 0.50 0.30 1 33 ASN 0.20 0.40 1 35 PHE 0.20 0.20 1 36 GLU 0.10 0.50 1 38 THR -0.30 0.00 1 39 ASP 0.30 0.30 1 40 MET 0.00 0.20 1 41 LYS -0.90 -0.30 1 42 ASP -2.30 -1.30 1 43 MET 1.20 1.00 1 44 ARG 5.10 4.00 1 45 LEU 2.80 1.80 1 46 GLU 2.60 2.00 1 47 ALA 3.20 2.80 1 48 GLU 2.90 2.40 1 49 ALA 3.90 2.70 1 50 VAL 5.60 4.20 1 51 VAL 5.50 4.00 1 52 ASN 2.90 3.00 1 53 ASP 2.00 3.00 1 54 VAL -1.80 -1.00 1 55 LEU 4.20 3.50 1 56 PHE 2.60 1.00 1 57 ALA -2.60 -1.10 1 58 VAL -4.30 -2.90 1 59 ASN 1.70 1.90 1 60 ASN -2.70 -0.40 1 61 MET -3.20 0.60 1 62 PHE -0.90 -1.40 1 63 VAL 1.90 1.20 1 64 SER 1.60 1.70 1 65 LYS -0.20 -0.30 1 66 SER -0.30 0.80 1 67 LEU -2.10 -1.40 1 68 ARG 2.40 1.70 1 70 ALA -4.70 -1.20 1 71 ASP 3.40 2.40 1 72 ASP -0.40 -0.90 1 73 VAL -1.60 -1.20 1 74 ALA -5.90 -1.90 1 75 TYR -4.60 -1.50 1 76 ILE -5.60 -1.40 1 77 ASN -2.30 -1.40 1 78 VAL -6.50 -2.80 1 79 GLU -6.70 -2.80 1 80 THR -1.40 -0.10 1 81 LYS 4.30 3.00 1 82 GLU 5.00 0.80 1 83 ARG 6.40 1.40 1 84 ASN -2.20 -0.30 1 85 ARG -3.20 -0.70 1 86 TYR -6.90 -2.30 1 88 LEU -4.60 -2.70 1 89 GLU -6.50 -1.40 1 90 LEU -2.30 -0.70 1 91 THR -6.30 -1.20 1 92 GLU 2.80 2.30 1 93 ALA 0.90 0.30 1 95 LEU -5.30 -1.30 1 96 LYS -6.50 -1.80 1 97 VAL 2.40 2.30 1 98 VAL -1.50 -1.30 1 100 TYR 1.10 -0.60 1 101 ALA -4.40 -1.90 1 103 ASP 3.60 2.10 1 104 GLN -3.00 -0.50 1 105 VAL -1.60 -1.20 1 106 ASP -1.70 -1.30 1 107 ASP 1.90 1.50 1 108 HIS 0.90 0.80 1 109 LEU 0.00 0.60 1 110 GLN 0.80 -0.40 1 111 THR -0.60 -1.80 1 113 TYR 0.00 1.20 1 114 HIS -4.70 0.70 1 115 GLU 1.70 2.60 1 116 THR -7.90 -3.30 1 117 VAL 2.80 1.10 1 118 TYR 2.80 1.20 1 119 SER 3.60 2.20 1 120 LEU 3.30 2.90 1 121 LEU 6.70 3.10 1 122 ASP 2.40 3.80 1 123 THR 2.20 2.40 1 124 LEU -1.00 0.90 1 125 SER -2.90 -2.80 1 127 ALA 2.60 2.70 1 128 TYR 4.20 3.10 1 129 ARG 4.20 3.90 1 130 GLU 2.00 2.20 1 131 ALA 2.40 2.10 1 132 PHE 2.60 3.10 1 134 ASN 2.50 2.10 1 135 ALA 2.70 2.10 1 136 LEU 3.30 2.50 1 137 LEU 3.30 2.50 1 138 GLN 3.30 2.40 1 139 ARG 3.20 2.40 1 140 LEU 2.70 2.10 1 141 GLU 2.20 1.90 1 142 ALA 2.00 1.50 1 143 LEU 1.20 1.20 1 144 LYS 1.40 1.10 1 145 ARG 0.90 0.80 1 146 ASP 0.60 0.80 1 148 GLN -0.40 0.10 1 149 SER 0.70 1.80 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6052_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.90 _LACS_plot.Line_1_terminator_val_y_1 5.11 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.80 _LACS_plot.Line_2_terminator_val_x_2 6.70 _LACS_plot.Line_2_terminator_val_y_2 -1.72 _LACS_plot.Y_axis_chem_shift_offset -0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 102 PHE -0.30 -3.00 0 11 MET 0.10 0.20 1 12 GLU -4.19 3.20 1 13 THR -0.10 0.20 1 14 ASP 0.40 0.00 1 16 ASN -0.20 0.30 1 18 MET 1.00 -0.40 1 19 GLU -2.60 2.60 1 20 LEU 0.40 0.10 1 21 SER 0.60 0.00 1 22 SER 0.40 0.00 1 23 MET 0.30 0.00 1 24 SER 0.60 0.10 1 26 PHE -0.00 0.10 1 27 GLU -0.40 0.40 1 28 GLU -0.10 0.40 1 30 SER 0.00 0.30 1 31 GLU 0.40 0.00 1 32 LEU 0.50 -0.20 1 33 ASN 0.20 0.20 1 35 PHE 0.20 0.00 1 36 GLU 0.10 0.40 1 38 THR -0.30 0.30 1 39 ASP 0.30 0.00 1 40 MET 0.00 0.20 1 41 LYS -0.90 0.60 1 42 ASP -2.30 1.00 1 43 MET 1.20 -0.20 1 44 ARG 5.10 -1.10 1 45 LEU 2.80 -1.00 1 46 GLU 2.60 -0.60 1 47 ALA 3.20 -0.40 1 48 GLU 2.90 -0.50 1 49 ALA 3.90 -1.20 1 50 VAL 5.60 -1.40 1 51 VAL 5.50 -1.50 1 52 ASN 2.90 0.10 1 53 ASP 2.00 1.00 1 54 VAL -1.80 0.80 1 55 LEU 4.20 -0.70 1 56 PHE 2.60 -1.60 1 57 ALA -2.60 1.50 1 58 VAL -4.30 1.40 1 59 ASN 1.70 0.20 1 60 ASN -2.70 2.30 1 61 MET -3.20 3.80 1 62 PHE -0.90 -0.50 1 63 VAL 1.90 -0.70 1 64 SER 1.60 0.10 1 65 LYS -0.20 -0.10 1 66 SER -0.30 1.10 1 67 LEU -2.10 0.70 1 68 ARG 2.40 -0.70 1 70 ALA -4.70 3.50 1 71 ASP 3.40 -1.00 1 72 ASP -0.40 -0.50 1 73 VAL -1.60 0.40 1 74 ALA -5.90 4.00 1 75 TYR -4.60 3.10 1 76 ILE -5.60 4.20 1 77 ASN -2.30 0.90 1 78 VAL -6.50 3.70 1 79 GLU -6.70 3.90 1 80 THR -1.40 1.30 1 81 LYS 4.30 -1.30 1 82 GLU 5.00 -4.20 1 83 ARG 6.40 -5.00 1 84 ASN -2.20 1.90 1 85 ARG -3.20 2.50 1 86 TYR -6.90 4.60 1 88 LEU -4.60 1.90 1 89 GLU -6.50 5.10 1 90 LEU -2.30 1.60 1 91 THR -6.30 5.10 1 92 GLU 2.80 -0.50 1 93 ALA 0.90 -0.60 1 95 LEU -5.30 4.00 1 96 LYS -6.50 4.70 1 97 VAL 2.40 -0.10 1 98 VAL -1.50 0.20 1 100 TYR 1.10 -1.70 1 101 ALA -4.40 2.50 1 103 ASP 3.60 -1.50 1 104 GLN -3.00 2.50 1 105 VAL -1.60 0.40 1 106 ASP -1.70 0.40 1 107 ASP 1.90 -0.40 1 108 HIS 0.90 -0.10 1 109 LEU 0.00 0.60 1 110 GLN 0.80 -1.20 1 111 THR -0.60 -1.20 1 113 TYR 0.00 1.20 1 114 HIS -4.70 5.40 1 115 GLU 1.70 0.90 1 116 THR -7.90 4.60 1 117 VAL 2.80 -1.70 1 118 TYR 2.80 -1.60 1 119 SER 3.60 -1.40 1 120 LEU 3.30 -0.40 1 121 LEU 6.70 -3.60 1 122 ASP 2.40 1.40 1 123 THR 2.20 0.20 1 124 LEU -1.00 1.90 1 125 SER -2.90 0.10 1 127 ALA 2.60 0.10 1 128 TYR 4.20 -1.10 1 129 ARG 4.20 -0.30 1 130 GLU 2.00 0.20 1 131 ALA 2.40 -0.30 1 132 PHE 2.60 0.50 1 134 ASN 2.50 -0.40 1 135 ALA 2.70 -0.60 1 136 LEU 3.30 -0.80 1 137 LEU 3.30 -0.80 1 138 GLN 3.30 -0.90 1 139 ARG 3.20 -0.80 1 140 LEU 2.70 -0.60 1 141 GLU 2.20 -0.30 1 142 ALA 2.00 -0.50 1 143 LEU 1.20 0.00 1 144 LYS 1.40 -0.30 1 145 ARG 0.90 -0.10 1 146 ASP 0.60 0.20 1 148 GLN -0.40 0.50 1 149 SER 0.70 1.10 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6052_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.90 _LACS_plot.Line_1_terminator_val_y_1 0.47 _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 0.08 _LACS_plot.Line_2_terminator_val_x_2 6.70 _LACS_plot.Line_2_terminator_val_y_2 -0.49 _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 120 LEU 3.30 -1.69 0 11 MET 0.10 -0.05 1 12 GLU -4.19 -0.03 1 13 THR -0.10 -0.01 1 14 ASP 0.40 0.00 1 16 ASN -0.20 -0.09 1 18 MET 1.00 -0.09 1 19 GLU -2.60 -0.09 1 20 LEU 0.40 -0.02 1 21 SER 0.60 -0.07 1 22 SER 0.40 -0.03 1 23 MET 0.30 0.04 1 24 SER 0.60 -0.06 1 26 PHE -0.00 -0.02 1 27 GLU -0.40 -0.11 1 28 GLU -0.10 -0.13 1 30 SER 0.00 -0.05 1 31 GLU 0.40 -0.09 1 32 LEU 0.50 -0.02 1 33 ASN 0.20 -0.07 1 35 PHE 0.20 -0.02 1 36 GLU 0.10 -0.09 1 38 THR -0.30 0.02 1 39 ASP 0.30 -0.04 1 40 MET 0.00 -0.08 1 41 LYS -0.90 0.02 1 42 ASP -2.30 0.34 1 43 MET 1.20 -0.10 1 44 ARG 5.10 -0.62 1 45 LEU 2.80 -0.20 1 46 GLU 2.60 -0.26 1 47 ALA 3.20 -0.61 1 48 GLU 2.90 -0.44 1 49 ALA 3.90 -0.18 1 50 VAL 5.60 -0.45 1 51 VAL 5.50 -0.41 1 52 ASN 2.90 -0.28 1 53 ASP 2.00 0.16 1 54 VAL -1.80 0.72 1 55 LEU 4.20 -0.46 1 56 PHE 2.60 -0.17 1 57 ALA -2.60 -0.29 1 58 VAL -4.30 0.53 1 59 ASN 1.70 0.14 1 60 ASN -2.70 0.10 1 61 MET -3.20 0.82 1 62 PHE -0.90 0.22 1 63 VAL 1.90 -0.12 1 64 SER 1.60 -0.45 1 65 LYS -0.20 0.30 1 66 SER -0.30 0.05 1 67 LEU -2.10 -0.07 1 68 ARG 2.40 -0.31 1 70 ALA -4.70 0.33 1 71 ASP 3.40 0.02 1 72 ASP -0.40 -0.02 1 73 VAL -1.60 0.72 1 74 ALA -5.90 0.42 1 75 TYR -4.60 1.11 1 76 ILE -5.60 0.03 1 77 ASN -2.30 0.63 1 78 VAL -6.50 0.86 1 79 GLU -6.70 1.51 1 80 THR -1.40 0.05 1 81 LYS 4.30 -0.24 1 82 GLU 5.00 -0.23 1 83 ARG 6.40 -0.48 1 84 ASN -2.20 0.06 1 85 ARG -3.20 1.11 1 86 TYR -6.90 0.45 1 88 LEU -4.60 0.93 1 89 GLU -6.50 -0.01 1 90 LEU -2.30 0.81 1 91 THR -6.30 0.40 1 92 GLU 2.80 -0.34 1 93 ALA 0.90 -0.35 1 95 LEU -5.30 1.38 1 96 LYS -6.50 0.55 1 97 VAL 2.40 -0.12 1 98 VAL -1.50 0.63 1 100 TYR 1.10 0.54 1 101 ALA -4.40 -0.51 1 102 PHE -0.30 -0.02 1 103 ASP 3.60 -0.33 1 104 GLN -3.00 -0.01 1 105 VAL -1.60 -0.13 1 106 ASP -1.70 0.18 1 107 ASP 1.90 -0.23 1 108 HIS 0.90 -0.07 1 109 LEU 0.00 -0.10 1 110 GLN 0.80 0.23 1 111 THR -0.60 -0.02 1 113 TYR 0.00 -0.02 1 114 HIS -4.70 -0.09 1 115 GLU 1.70 -0.13 1 116 THR -7.90 0.34 1 117 VAL 2.80 -0.61 1 118 TYR 2.80 -0.52 1 119 SER 3.60 -0.26 1 121 LEU 6.70 -1.00 1 122 ASP 2.40 -0.24 1 123 THR 2.20 -0.11 1 124 LEU -1.00 0.04 1 125 SER -2.90 0.51 1 127 ALA 2.60 -0.05 1 128 TYR 4.20 -0.14 1 129 ARG 4.20 -0.55 1 130 GLU 2.00 -0.27 1 131 ALA 2.40 -0.12 1 132 PHE 2.60 -0.32 1 134 ASN 2.50 -0.16 1 135 ALA 2.70 -0.20 1 136 LEU 3.30 -0.36 1 137 LEU 3.30 -0.28 1 138 GLN 3.30 -0.27 1 139 ARG 3.20 -0.21 1 140 LEU 2.70 -0.22 1 141 GLU 2.20 -0.28 1 142 ALA 2.00 -0.17 1 143 LEU 1.20 -0.14 1 144 LYS 1.40 -0.11 1 145 ARG 0.90 -0.06 1 146 ASP 0.60 -0.02 1 148 GLN -0.40 0.09 1 149 SER 0.70 -0.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6052_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.90 _LACS_plot.Line_1_terminator_val_y_1 -3.18 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.76 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.92 _LACS_plot.Line_2_terminator_val_x_2 6.70 _LACS_plot.Line_2_terminator_val_y_2 2.62 _LACS_plot.Y_axis_chem_shift_offset 0.07 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 73 VAL -1.60 -6.40 0 11 MET 0.10 -0.20 1 12 GLU -4.19 0.00 1 13 THR -0.10 -0.40 1 14 ASP 0.40 -0.40 1 18 MET 1.00 0.20 1 19 GLU -2.60 0.20 1 20 LEU 0.40 0.20 1 21 SER 0.60 0.30 1 22 SER 0.40 0.10 1 23 MET 0.30 0.00 1 24 SER 0.60 0.30 1 26 PHE -0.00 -0.10 1 27 GLU -0.40 -0.40 1 28 GLU -0.10 0.50 1 30 SER 0.00 1.90 1 31 GLU 0.40 -0.10 1 32 LEU 0.50 -0.40 1 33 ASN 0.20 0.40 1 35 PHE 0.20 0.10 1 36 GLU 0.10 0.00 1 38 THR -0.30 -0.50 1 39 ASP 0.30 -0.50 1 40 MET 0.00 -0.60 1 41 LYS -0.90 -1.50 1 42 ASP -2.30 1.40 1 43 MET 1.20 1.60 1 44 ARG 5.10 2.70 1 46 GLU 2.60 1.90 1 47 ALA 3.20 0.40 1 48 GLU 2.90 1.90 1 49 ALA 3.90 2.10 1 50 VAL 5.60 1.00 1 51 VAL 5.50 1.10 1 52 ASN 2.90 2.30 1 53 ASP 2.00 2.00 1 54 VAL -1.80 0.00 1 55 LEU 4.20 0.60 1 56 PHE 2.60 -0.50 1 57 ALA -2.60 -2.00 1 58 VAL -4.30 -2.20 1 59 ASN 1.70 1.20 1 60 ASN -2.70 -2.00 1 61 MET -3.20 -3.60 1 62 PHE -0.90 -3.20 1 63 VAL 1.90 -0.10 1 64 SER 1.60 1.60 1 65 LYS -0.20 0.50 1 66 SER -0.30 -0.20 1 67 LEU -2.10 -1.60 1 68 ARG 2.40 -1.40 1 70 ALA -4.70 -2.60 1 71 ASP 3.40 1.50 1 72 ASP -0.40 -0.10 1 74 ALA -5.90 -4.40 1 75 TYR -4.60 -0.60 1 76 ILE -5.60 -2.40 1 77 ASN -2.30 -1.20 1 78 VAL -6.50 -3.80 1 79 GLU -6.70 1.50 1 80 THR -1.40 1.60 1 81 LYS 4.30 1.50 1 82 GLU 5.00 -1.60 1 83 ARG 6.40 -1.00 1 84 ASN -2.20 -1.70 1 85 ARG -3.20 -2.20 1 86 TYR -6.90 -2.80 1 88 LEU -4.60 -2.50 1 89 GLU -6.50 -2.50 1 90 LEU -2.30 -3.20 1 91 THR -6.30 2.20 1 92 GLU 2.80 -0.30 1 93 ALA 0.90 -1.50 1 95 LEU -5.30 -1.60 1 96 LYS -6.50 -1.00 1 97 VAL 2.40 -0.20 1 98 VAL -1.50 -2.50 1 100 TYR 1.10 -2.20 1 101 ALA -4.40 -2.70 1 102 PHE -0.30 1.70 1 103 ASP 3.60 -3.30 1 104 GLN -3.00 -4.00 1 105 VAL -1.60 -0.70 1 106 ASP -1.70 0.60 1 107 ASP 1.90 0.40 1 108 HIS 0.90 2.60 1 109 LEU 0.00 -0.40 1 110 GLN 0.80 -0.80 1 113 TYR 0.00 1.30 1 114 HIS -4.70 1.80 1 115 GLU 1.70 0.30 1 116 THR -7.90 -0.30 1 117 VAL 2.80 -1.60 1 118 TYR 2.80 1.50 1 119 SER 3.60 2.30 1 120 LEU 3.30 1.70 1 121 LEU 6.70 0.30 1 122 ASP 2.40 1.20 1 123 THR 2.20 1.10 1 124 LEU -1.00 0.70 1 127 ALA 2.60 -3.50 1 128 TYR 4.20 0.60 1 129 ARG 4.20 3.30 1 130 GLU 2.00 1.30 1 131 ALA 2.40 2.00 1 132 PHE 2.60 1.60 1 134 ASN 2.50 1.70 1 135 ALA 2.70 1.80 1 136 LEU 3.30 1.10 1 137 LEU 3.30 1.60 1 138 GLN 3.30 2.20 1 139 ARG 3.20 1.80 1 140 LEU 2.70 1.70 1 141 GLU 2.20 1.40 1 142 ALA 2.00 1.10 1 143 LEU 1.20 0.70 1 144 LYS 1.40 0.70 1 145 ARG 0.90 0.30 1 146 ASP 0.60 0.60 1 148 GLN -0.40 -0.80 1 stop_ save_