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 bmr6454_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.70 _LACS_plot.Line_1_terminator_val_y_1 -3.14 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.67 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.63 _LACS_plot.Line_2_terminator_val_x_2 6.70 _LACS_plot.Line_2_terminator_val_y_2 5.01 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 38 GLU 5.60 0.30 0 76 PHE 2.30 -1.90 0 74 LYS 0.90 -2.80 0 10 ARG 4.70 3.70 1 11 ARG 4.70 3.70 1 12 THR 5.80 4.50 1 13 MET 1.50 1.20 1 14 LEU 4.90 3.70 1 15 LEU 3.00 2.50 1 16 ARG 4.60 3.70 1 17 PHE 4.40 3.80 1 18 GLN 3.40 2.60 1 19 ARG -0.80 -0.70 1 20 MET 2.90 2.70 1 21 GLU -2.50 -1.10 1 22 THR -5.60 -2.80 1 23 ALA 4.20 2.60 1 24 GLU 4.20 2.20 1 25 GLU 3.20 2.60 1 26 VAL 5.00 3.70 1 27 TYR 3.90 1.50 1 28 HIS 4.40 3.50 1 30 ILE 6.70 4.30 1 31 GLU 4.20 3.30 1 32 LEU 3.20 2.70 1 34 ALA 5.80 3.50 1 35 GLN 4.50 3.20 1 36 GLN 4.00 3.10 1 37 LEU 0.00 -0.50 1 39 TYR 0.90 1.00 1 40 ASP -0.30 2.30 1 41 TYR -7.20 -3.40 1 42 TYR -8.70 -2.90 1 43 SER -4.20 -1.40 1 44 LEU -4.40 -1.20 1 46 VAL -4.20 -1.80 1 47 ARG -5.00 -1.60 1 48 HIS -1.80 -0.80 1 50 VAL -2.10 -0.10 1 52 PHE 3.60 1.30 1 53 THR -1.90 -1.40 1 54 ARG 1.10 0.30 1 56 LYS -1.20 -0.40 1 57 VAL -2.50 -1.10 1 58 ALA -5.50 -1.80 1 59 PHE -5.70 -2.20 1 60 TYR -4.00 -1.30 1 61 THR -0.60 -1.70 1 62 ASN 0.10 -0.80 1 63 TYR -0.70 -1.70 1 65 GLU 4.90 2.80 1 66 ALA 2.80 2.60 1 67 TRP -1.40 -0.10 1 68 VAL 5.60 4.60 1 69 SER 4.10 3.00 1 70 TYR 3.60 3.80 1 71 TYR 2.90 2.20 1 72 GLN 3.20 3.50 1 73 ALA 3.40 2.30 1 75 ASN 2.60 0.60 1 77 LEU 2.00 2.70 1 78 ALA 0.70 1.40 1 79 ILE -3.70 -1.70 1 80 ASP -0.00 0.30 1 82 VAL 3.00 -0.40 1 83 LEU -2.40 -3.30 1 84 ASN -3.40 -2.50 1 86 GLU 2.40 1.00 1 87 ASN 0.40 0.40 1 88 PHE -0.80 0.80 1 89 SER -0.30 -0.50 1 90 GLN 3.00 0.80 1 92 HIS -4.30 -0.60 1 93 LEU -3.50 -0.30 1 94 MET -2.30 -1.30 1 95 TRP -0.30 -1.00 1 96 ASN -2.30 -1.00 1 97 ASP 4.80 3.80 1 98 ASP 4.80 2.70 1 99 LEU 2.30 1.60 1 100 PHE 1.00 -0.10 1 101 SER 5.00 4.10 1 102 GLU 0.40 -1.60 1 103 ALA -3.20 -2.30 1 104 GLN 3.40 2.50 1 106 LEU -2.30 0.10 1 107 TRP 3.70 2.60 1 108 GLU 2.10 2.10 1 109 ALA 4.60 2.80 1 110 ALA 4.40 3.20 1 111 ARG 3.00 1.60 1 112 ALA 2.60 1.50 1 113 HIS 1.30 -0.30 1 115 LEU -0.70 0.90 1 116 ARG -6.70 -2.60 1 117 ARG -5.30 -2.70 1 119 VAL -2.90 0.60 1 120 THR -7.60 -3.80 1 122 TYR -5.70 -0.70 1 123 LEU -3.20 -1.30 1 124 MET 1.80 1.30 1 125 LEU -0.50 0.00 1 129 ALA -4.90 -1.20 1 130 LEU -3.50 -1.20 1 132 PHE -4.90 -1.70 1 133 LEU -1.70 -0.70 1 134 SER -6.50 -5.60 1 135 PHE -4.10 -0.50 1 136 SER -6.10 -1.60 1 137 ARG -1.10 -0.80 1 139 SER -0.20 -0.20 1 140 ALA 0.50 0.50 1 141 ARG -0.20 -0.60 1 142 GLU -0.40 0.10 1 143 ILE -1.00 -0.50 1 145 ILE 0.40 -0.30 1 146 LEU 0.70 0.70 1 147 SER 3.60 1.60 1 148 ASP 3.90 3.40 1 150 LEU 5.10 3.80 1 151 GLN 3.50 3.00 1 152 LEU 4.10 4.00 1 155 GLN 4.80 3.90 1 156 LEU 2.70 3.20 1 157 LEU 5.50 3.90 1 158 VAL 4.70 4.40 1 159 ARG 5.50 4.40 1 161 SER 3.40 3.00 1 164 ALA 4.40 3.20 1 165 LEU 3.30 3.10 1 166 MET 3.90 3.00 1 167 ARG 1.00 0.40 1 168 LEU 1.30 0.80 1 169 ASN 1.20 -0.50 1 170 ASP -0.40 0.10 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6454_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.70 _LACS_plot.Line_1_terminator_val_y_1 5.56 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.33 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.37 _LACS_plot.Line_2_terminator_val_x_2 6.70 _LACS_plot.Line_2_terminator_val_y_2 -1.69 _LACS_plot.Y_axis_chem_shift_offset 0.08 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 38 GLU 5.60 -5.30 0 76 PHE 2.30 -4.20 0 74 LYS 0.90 -3.70 0 10 ARG 4.70 -1.00 1 11 ARG 4.70 -1.00 1 12 THR 5.80 -1.30 1 13 MET 1.50 -0.30 1 14 LEU 4.90 -1.20 1 15 LEU 3.00 -0.50 1 16 ARG 4.60 -0.90 1 17 PHE 4.40 -0.60 1 18 GLN 3.40 -0.80 1 19 ARG -0.80 0.10 1 20 MET 2.90 -0.20 1 21 GLU -2.50 1.40 1 22 THR -5.60 2.80 1 23 ALA 4.20 -1.60 1 24 GLU 4.20 -2.00 1 25 GLU 3.20 -0.60 1 26 VAL 5.00 -1.30 1 27 TYR 3.90 -2.40 1 28 HIS 4.40 -0.90 1 30 ILE 6.70 -2.40 1 31 GLU 4.20 -0.90 1 32 LEU 3.20 -0.50 1 34 ALA 5.80 -2.30 1 35 GLN 4.50 -1.30 1 36 GLN 4.00 -0.90 1 37 LEU 0.00 -0.50 1 39 TYR 0.90 0.10 1 40 ASP -0.30 2.60 1 41 TYR -7.20 3.80 1 42 TYR -8.70 5.80 1 43 SER -4.20 2.80 1 44 LEU -4.40 3.20 1 46 VAL -4.20 2.40 1 47 ARG -5.00 3.40 1 48 HIS -1.80 1.00 1 50 VAL -2.10 2.00 1 52 PHE 3.60 -2.30 1 53 THR -1.90 0.50 1 54 ARG 1.10 -0.80 1 56 LYS -1.20 0.80 1 57 VAL -2.50 1.40 1 58 ALA -5.50 3.70 1 59 PHE -5.70 3.50 1 60 TYR -4.00 2.70 1 61 THR -0.60 -1.10 1 62 ASN 0.10 -0.90 1 63 TYR -0.70 -1.00 1 65 GLU 4.90 -2.10 1 66 ALA 2.80 -0.20 1 67 TRP -1.40 1.30 1 68 VAL 5.60 -1.00 1 69 SER 4.10 -1.10 1 70 TYR 3.60 0.20 1 71 TYR 2.90 -0.70 1 72 GLN 3.20 0.30 1 73 ALA 3.40 -1.10 1 75 ASN 2.60 -2.00 1 77 LEU 2.00 0.70 1 78 ALA 0.70 0.70 1 79 ILE -3.70 2.00 1 80 ASP -0.00 0.30 1 82 VAL 3.00 -3.40 1 83 LEU -2.40 -0.90 1 84 ASN -3.40 0.90 1 86 GLU 2.40 -1.40 1 87 ASN 0.40 0.00 1 88 PHE -0.80 1.60 1 89 SER -0.30 -0.20 1 90 GLN 3.00 -2.20 1 92 HIS -4.30 3.70 1 93 LEU -3.50 3.20 1 94 MET -2.30 1.00 1 95 TRP -0.30 -0.70 1 96 ASN -2.30 1.30 1 97 ASP 4.80 -1.00 1 98 ASP 4.80 -2.10 1 99 LEU 2.30 -0.70 1 100 PHE 1.00 -1.10 1 101 SER 5.00 -0.90 1 102 GLU 0.40 -2.00 1 103 ALA -3.20 0.90 1 104 GLN 3.40 -0.90 1 106 LEU -2.30 2.40 1 107 TRP 3.70 -1.10 1 108 GLU 2.10 0.00 1 109 ALA 4.60 -1.80 1 110 ALA 4.40 -1.20 1 111 ARG 3.00 -1.40 1 112 ALA 2.60 -1.10 1 113 HIS 1.30 -1.60 1 115 LEU -0.70 1.60 1 116 ARG -6.70 4.10 1 117 ARG -5.30 2.60 1 119 VAL -2.90 3.50 1 120 THR -7.60 3.80 1 122 TYR -5.70 5.00 1 123 LEU -3.20 1.90 1 124 MET 1.80 -0.50 1 125 LEU -0.50 0.50 1 129 ALA -4.90 3.70 1 130 LEU -3.50 2.30 1 132 PHE -4.90 3.20 1 133 LEU -1.70 1.00 1 134 SER -6.50 0.90 1 135 PHE -4.10 3.60 1 136 SER -6.10 4.50 1 137 ARG -1.10 0.30 1 139 SER -0.20 0.00 1 140 ALA 0.50 0.00 1 141 ARG -0.20 -0.40 1 142 GLU -0.40 0.50 1 143 ILE -1.00 0.50 1 145 ILE 0.40 -0.70 1 146 LEU 0.70 0.00 1 147 SER 3.60 -2.00 1 148 ASP 3.90 -0.50 1 150 LEU 5.10 -1.30 1 151 GLN 3.50 -0.50 1 152 LEU 4.10 -0.10 1 155 GLN 4.80 -0.90 1 156 LEU 2.70 0.50 1 157 LEU 5.50 -1.60 1 158 VAL 4.70 -0.30 1 159 ARG 5.50 -1.10 1 161 SER 3.40 -0.40 1 164 ALA 4.40 -1.20 1 165 LEU 3.30 -0.20 1 166 MET 3.90 -0.90 1 167 ARG 1.00 -0.60 1 168 LEU 1.30 -0.50 1 169 ASN 1.20 -1.70 1 170 ASP -0.40 0.50 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6454_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.70 _LACS_plot.Line_1_terminator_val_y_1 1.12 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.18 _LACS_plot.Line_2_terminator_val_x_2 6.70 _LACS_plot.Line_2_terminator_val_y_2 -0.82 _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 122 TYR -5.70 -0.77 0 109 ALA 4.60 -2.34 0 10 ARG 4.70 -1.10 1 11 ARG 4.70 -0.58 1 12 THR 5.80 -0.65 1 13 MET 1.50 -0.43 1 14 LEU 4.90 -0.51 1 15 LEU 3.00 -0.37 1 16 ARG 4.60 -0.58 1 17 PHE 4.40 -0.28 1 18 GLN 3.40 -0.26 1 19 ARG -0.80 -0.03 1 20 MET 2.90 -0.38 1 21 GLU -2.50 0.25 1 22 THR -5.60 0.30 1 23 ALA 4.20 -0.78 1 24 GLU 4.20 -1.23 1 25 GLU 3.20 -0.60 1 26 VAL 5.00 -0.57 1 27 TYR 3.90 -0.40 1 28 HIS 4.40 -0.27 1 30 ILE 6.70 -0.76 1 31 GLU 4.20 -0.80 1 32 LEU 3.20 -0.32 1 34 ALA 5.80 -1.35 1 35 GLN 4.50 -0.13 1 36 GLN 4.00 -0.32 1 37 LEU 0.00 -0.04 1 38 GLU 5.60 -0.61 1 39 TYR 0.90 -0.25 1 40 ASP -0.30 -0.31 1 41 TYR -7.20 1.26 1 42 TYR -8.70 1.71 1 43 SER -4.20 0.16 1 44 LEU -4.40 1.36 1 46 VAL -4.20 1.29 1 47 ARG -5.00 1.01 1 48 HIS -1.80 0.15 1 50 VAL -2.10 -0.03 1 52 PHE 3.60 -0.35 1 53 THR -1.90 0.26 1 54 ARG 1.10 -0.12 1 56 LYS -1.20 0.11 1 57 VAL -2.50 0.83 1 58 ALA -5.50 0.25 1 59 PHE -5.70 1.09 1 60 TYR -4.00 0.01 1 61 THR -0.60 -0.41 1 62 ASN 0.10 0.19 1 63 TYR -0.70 -0.64 1 65 GLU 4.90 -0.41 1 66 ALA 2.80 -0.17 1 67 TRP -1.40 -0.13 1 68 VAL 5.60 -1.24 1 69 SER 4.10 -0.44 1 70 TYR 3.60 -0.77 1 71 TYR 2.90 -1.30 1 72 GLN 3.20 -0.30 1 73 ALA 3.40 -0.48 1 74 LYS 0.90 -0.67 1 75 ASN 2.60 -0.25 1 76 PHE 2.30 -0.26 1 77 LEU 2.00 0.00 1 78 ALA 0.70 -0.34 1 79 ILE -3.70 0.31 1 80 ASP -0.00 -0.90 1 82 VAL 3.00 -0.16 1 83 LEU -2.40 -1.17 1 84 ASN -3.40 0.08 1 86 GLU 2.40 -0.28 1 87 ASN 0.40 -0.13 1 88 PHE -0.80 -0.48 1 89 SER -0.30 0.19 1 90 GLN 3.00 -0.34 1 92 HIS -4.30 1.23 1 93 LEU -3.50 0.16 1 94 MET -2.30 0.39 1 95 TRP -0.30 -0.25 1 96 ASN -2.30 0.09 1 97 ASP 4.80 -0.42 1 98 ASP 4.80 -0.39 1 99 LEU 2.30 -0.53 1 100 PHE 1.00 -0.45 1 101 SER 5.00 -0.34 1 102 GLU 0.40 0.33 1 103 ALA -3.20 0.42 1 104 GLN 3.40 -1.05 1 106 LEU -2.30 -0.36 1 107 TRP 3.70 -0.68 1 108 GLU 2.10 -0.04 1 110 ALA 4.40 -0.77 1 111 ARG 3.00 -0.37 1 112 ALA 2.60 -0.45 1 113 HIS 1.30 -0.08 1 115 LEU -0.70 -0.03 1 116 ARG -6.70 0.67 1 117 ARG -5.30 0.62 1 119 VAL -2.90 1.31 1 120 THR -7.60 0.94 1 123 LEU -3.20 0.40 1 124 MET 1.80 -0.24 1 125 LEU -0.50 0.27 1 129 ALA -4.90 0.63 1 130 LEU -3.50 0.58 1 132 PHE -4.90 1.22 1 133 LEU -1.70 1.57 1 134 SER -6.50 1.32 1 135 PHE -4.10 0.83 1 136 SER -6.10 1.06 1 137 ARG -1.10 -0.11 1 139 SER -0.20 -0.16 1 140 ALA 0.50 -0.24 1 141 ARG -0.20 -0.20 1 142 GLU -0.40 -0.13 1 143 ILE -1.00 -0.05 1 145 ILE 0.40 0.03 1 146 LEU 0.70 -0.19 1 147 SER 3.60 -0.31 1 148 ASP 3.90 -0.54 1 150 LEU 5.10 -0.51 1 151 GLN 3.50 -0.54 1 152 LEU 4.10 -0.60 1 155 GLN 4.80 -0.19 1 156 LEU 2.70 -0.68 1 157 LEU 5.50 -0.44 1 158 VAL 4.70 -0.68 1 159 ARG 5.50 -0.53 1 161 SER 3.40 -0.19 1 164 ALA 4.40 -0.44 1 165 LEU 3.30 -0.29 1 166 MET 3.90 -0.19 1 167 ARG 1.00 -0.20 1 168 LEU 1.30 -0.14 1 169 ASN 1.20 0.13 1 170 ASP -0.40 -0.17 1 stop_ save_