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 bmr27158_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.50 _LACS_plot.Line_1_terminator_val_y_1 -3.24 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.57 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.77 _LACS_plot.Line_2_terminator_val_x_2 7.79 _LACS_plot.Line_2_terminator_val_y_2 6.09 _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 114 ILE -8.50 -1.80 0 11 SER -2.70 -1.20 1 12 TYR -4.50 -0.40 1 13 ARG -5.70 -1.50 1 14 VAL -6.30 -4.20 1 15 LYS -5.10 -1.60 1 16 ARG -1.60 -2.50 1 17 MET -3.10 -0.60 1 18 ASP -0.30 0.40 1 19 ILE 3.50 3.30 1 20 ALA 1.90 1.20 1 21 LYS 0.10 -1.50 1 22 ASN 2.50 2.50 1 23 ASP -1.80 -0.40 1 24 GLU -2.10 1.20 1 25 GLU 0.20 1.40 1 27 VAL -6.00 -4.10 1 28 VAL -3.00 -2.80 1 29 ASN -4.80 -2.50 1 30 ALA 0.60 -1.80 1 31 ALA -4.30 -0.70 1 32 ASN -2.80 -0.80 1 34 ARG 0.20 -0.10 1 36 LEU -0.80 -0.80 1 39 ASP -3.50 -0.70 1 41 VAL 4.30 3.40 1 43 LYS 3.90 2.50 1 44 ALA 2.80 2.30 1 45 VAL 5.60 4.20 1 46 TYR 5.00 3.60 1 47 LYS 3.20 2.10 1 48 LYS 0.20 0.50 1 49 TRP 1.60 0.70 1 51 GLU 4.00 2.50 1 52 SER 2.10 2.40 1 53 PHE 2.90 0.30 1 54 LYS 1.30 0.40 1 55 ASN 2.30 0.90 1 56 SER 0.90 0.80 1 57 ALA 2.40 1.70 1 58 THR -1.30 -0.20 1 60 VAL 3.50 2.20 1 62 THR -5.20 -2.20 1 63 ALA -5.90 -2.60 1 64 LYS -3.90 -0.80 1 65 THR 3.10 1.30 1 66 VAL -2.50 -0.30 1 67 MET 0.80 -1.60 1 73 VAL -0.90 -1.60 1 74 ILE -0.20 -0.70 1 75 HIS 1.00 1.80 1 76 ALA -5.70 -2.30 1 77 VAL 1.90 -1.10 1 80 ASN -0.50 -1.80 1 81 PHE 6.50 5.20 1 82 SER 4.70 3.60 1 83 ASN -1.50 -0.20 1 84 TYR -4.10 -0.20 1 85 SER -1.70 -1.10 1 86 GLU 4.50 3.40 1 87 SER 4.60 3.10 1 88 GLU 2.60 2.60 1 90 ASP 3.70 5.20 1 91 ARG 4.20 3.30 1 92 GLU 1.90 0.70 1 93 LEU 2.70 2.30 1 94 ALA 4.50 3.10 1 95 ALA 3.80 2.90 1 96 ALA 5.10 2.90 1 97 TYR 5.20 5.10 1 98 ARG 5.50 4.40 1 99 GLU 4.00 2.90 1 100 VAL 7.20 5.30 1 101 ALA 3.80 3.40 1 102 LYS 4.10 3.70 1 103 GLU 1.60 1.80 1 104 VAL 6.20 5.00 1 105 THR 6.40 5.20 1 106 ARG 4.20 3.60 1 107 LEU -1.30 1.20 1 109 VAL -1.20 -1.70 1 110 ASN -0.30 0.80 1 111 SER -4.50 -2.20 1 112 VAL -5.00 -2.80 1 113 ALA -4.20 -2.10 1 116 LEU 0.50 -0.90 1 117 LEU -0.10 -0.60 1 118 SER 7.80 4.20 1 119 THR -2.80 -1.80 1 121 VAL 4.40 2.30 1 122 TYR -1.70 -2.40 1 123 SER 1.20 2.90 1 126 LYS -4.30 -2.00 1 127 ASP 0.30 0.20 1 128 ARG -1.10 -1.90 1 129 LEU 7.50 5.60 1 130 THR 7.00 5.20 1 131 GLN 3.30 2.30 1 132 SER 2.90 3.50 1 133 LEU 2.50 1.90 1 134 ASN 4.70 3.10 1 135 HIS 0.50 3.50 1 136 LEU 6.70 5.20 1 137 PHE 1.40 0.00 1 138 THR 5.80 4.80 1 139 ALA 1.10 1.90 1 140 MET 4.30 0.00 1 141 ASP 2.80 2.20 1 142 SER 0.60 0.80 1 143 THR -2.60 -1.00 1 144 ASP -2.20 -1.80 1 145 ALA -1.70 -1.10 1 146 ASP 0.90 0.30 1 147 VAL 1.00 0.10 1 148 VAL 0.10 -0.80 1 149 ILE -2.10 -1.00 1 150 TYR -2.80 -0.50 1 154 LYS 4.00 3.90 1 155 GLU 3.80 2.50 1 156 TRP 5.40 3.60 1 157 GLU 3.50 3.50 1 158 LYS 3.90 3.30 1 159 LYS 3.10 3.40 1 160 ILE 4.80 4.40 1 161 SER -0.30 3.90 1 162 GLU 3.40 2.90 1 163 ALA 3.10 2.50 1 164 ILE 4.70 4.70 1 165 GLN 3.60 2.70 1 166 MET 1.20 0.90 1 167 ARG 1.30 0.50 1 168 THR 0.90 1.90 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27158_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.50 _LACS_plot.Line_1_terminator_val_y_1 5.26 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.43 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.23 _LACS_plot.Line_2_terminator_val_x_2 7.79 _LACS_plot.Line_2_terminator_val_y_2 -1.70 _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 114 ILE -8.50 6.70 0 11 SER -2.70 1.50 1 12 TYR -4.50 4.10 1 13 ARG -5.70 4.20 1 14 VAL -6.30 2.10 1 15 LYS -5.10 3.50 1 16 ARG -1.60 -0.90 1 17 MET -3.10 2.50 1 18 ASP -0.30 0.70 1 19 ILE 3.50 -0.20 1 20 ALA 1.90 -0.70 1 21 LYS 0.10 -1.60 1 22 ASN 2.50 0.00 1 23 ASP -1.80 1.40 1 24 GLU -2.10 3.30 1 25 GLU 0.20 1.20 1 27 VAL -6.00 1.90 1 28 VAL -3.00 0.20 1 29 ASN -4.80 2.30 1 30 ALA 0.60 -2.40 1 31 ALA -4.30 3.60 1 32 ASN -2.80 2.00 1 34 ARG 0.20 -0.30 1 36 LEU -0.80 0.00 1 39 ASP -3.50 2.80 1 41 VAL 4.30 -0.90 1 43 LYS 3.90 -1.40 1 44 ALA 2.80 -0.50 1 45 VAL 5.60 -1.40 1 46 TYR 5.00 -1.40 1 47 LYS 3.20 -1.10 1 48 LYS 0.20 0.30 1 49 TRP 1.60 -0.90 1 51 GLU 4.00 -1.50 1 52 SER 2.10 0.30 1 53 PHE 2.90 -2.60 1 54 LYS 1.30 -0.90 1 55 ASN 2.30 -1.40 1 56 SER 0.90 -0.10 1 57 ALA 2.40 -0.70 1 58 THR -1.30 1.10 1 60 VAL 3.50 -1.30 1 62 THR -5.20 3.00 1 63 ALA -5.90 3.30 1 64 LYS -3.90 3.10 1 65 THR 3.10 -1.80 1 66 VAL -2.50 2.20 1 67 MET 0.80 -2.40 1 73 VAL -0.90 -0.70 1 74 ILE -0.20 -0.50 1 75 HIS 1.00 0.80 1 76 ALA -5.70 3.40 1 77 VAL 1.90 -3.00 1 80 ASN -0.50 -1.30 1 81 PHE 6.50 -1.30 1 82 SER 4.70 -1.10 1 83 ASN -1.50 1.30 1 84 TYR -4.10 3.90 1 85 SER -1.70 0.60 1 86 GLU 4.50 -1.10 1 87 SER 4.60 -1.50 1 88 GLU 2.60 0.00 1 90 ASP 3.70 1.50 1 91 ARG 4.20 -0.90 1 92 GLU 1.90 -1.20 1 93 LEU 2.70 -0.40 1 94 ALA 4.50 -1.40 1 95 ALA 3.80 -0.90 1 96 ALA 5.10 -2.20 1 97 TYR 5.20 -0.10 1 98 ARG 5.50 -1.10 1 99 GLU 4.00 -1.10 1 100 VAL 7.20 -1.90 1 101 ALA 3.80 -0.40 1 102 LYS 4.10 -0.40 1 103 GLU 1.60 0.20 1 104 VAL 6.20 -1.20 1 105 THR 6.40 -1.20 1 106 ARG 4.20 -0.60 1 107 LEU -1.30 2.50 1 109 VAL -1.20 -0.50 1 110 ASN -0.30 1.10 1 111 SER -4.50 2.30 1 112 VAL -5.00 2.20 1 113 ALA -4.20 2.10 1 116 LEU 0.50 -1.40 1 117 LEU -0.10 -0.50 1 118 SER 7.80 -3.60 1 119 THR -2.80 1.00 1 121 VAL 4.40 -2.10 1 122 TYR -1.70 -0.70 1 123 SER 1.20 1.70 1 126 LYS -4.30 2.30 1 127 ASP 0.30 -0.10 1 128 ARG -1.10 -0.80 1 129 LEU 7.50 -1.90 1 130 THR 7.00 -1.80 1 131 GLN 3.30 -1.00 1 132 SER 2.90 0.60 1 133 LEU 2.50 -0.60 1 134 ASN 4.70 -1.60 1 135 HIS 0.50 3.00 1 136 LEU 6.70 -1.50 1 137 PHE 1.40 -1.40 1 138 THR 5.80 -1.00 1 139 ALA 1.10 0.80 1 140 MET 4.30 -4.30 1 141 ASP 2.80 -0.60 1 142 SER 0.60 0.20 1 143 THR -2.60 1.60 1 144 ASP -2.20 0.40 1 145 ALA -1.70 0.60 1 146 ASP 0.90 -0.60 1 147 VAL 1.00 -0.90 1 148 VAL 0.10 -0.90 1 149 ILE -2.10 1.10 1 150 TYR -2.80 2.30 1 154 LYS 4.00 -0.10 1 155 GLU 3.80 -1.30 1 156 TRP 5.40 -1.80 1 157 GLU 3.50 0.00 1 158 LYS 3.90 -0.60 1 159 LYS 3.10 0.30 1 160 ILE 4.80 -0.40 1 161 SER -0.30 4.20 1 162 GLU 3.40 -0.50 1 163 ALA 3.10 -0.60 1 164 ILE 4.70 0.00 1 165 GLN 3.60 -0.90 1 166 MET 1.20 -0.30 1 167 ARG 1.30 -0.80 1 168 THR 0.90 1.00 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27158_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.50 _LACS_plot.Line_1_terminator_val_y_1 0.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.16 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.21 _LACS_plot.Line_2_terminator_val_x_2 7.79 _LACS_plot.Line_2_terminator_val_y_2 -0.74 _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 65 THR 3.10 0.67 0 136 LEU 6.70 -1.54 0 14 VAL -6.30 1.52 0 113 ALA -4.20 1.44 0 11 SER -2.70 0.16 1 12 TYR -4.50 1.06 1 13 ARG -5.70 0.35 1 15 LYS -5.10 0.05 1 16 ARG -1.60 0.92 1 17 MET -3.10 0.07 1 18 ASP -0.30 -0.30 1 19 ILE 3.50 -0.95 1 20 ALA 1.90 0.00 1 21 LYS 0.10 0.03 1 22 ASN 2.50 -0.15 1 23 ASP -1.80 0.52 1 24 GLU -2.10 0.29 1 25 GLU 0.20 -0.24 1 27 VAL -6.00 1.12 1 28 VAL -3.00 0.73 1 29 ASN -4.80 0.10 1 30 ALA 0.60 0.29 1 31 ALA -4.30 0.24 1 32 ASN -2.80 0.50 1 34 ARG 0.20 -0.07 1 36 LEU -0.80 0.01 1 39 ASP -3.50 0.20 1 41 VAL 4.30 -0.17 1 43 LYS 3.90 -0.34 1 44 ALA 2.80 -0.20 1 45 VAL 5.60 -0.09 1 46 TYR 5.00 -0.68 1 47 LYS 3.20 -0.65 1 48 LYS 0.20 -0.41 1 49 TRP 1.60 0.26 1 51 GLU 4.00 -0.08 1 52 SER 2.10 -0.22 1 53 PHE 2.90 -0.16 1 54 LYS 1.30 -0.05 1 55 ASN 2.30 -0.21 1 56 SER 0.90 -0.76 1 57 ALA 2.40 -0.72 1 58 THR -1.30 0.13 1 60 VAL 3.50 -0.70 1 62 THR -5.20 0.29 1 63 ALA -5.90 1.36 1 64 LYS -3.90 0.23 1 66 VAL -2.50 0.02 1 67 MET 0.80 0.06 1 73 VAL -0.90 -0.09 1 74 ILE -0.20 -0.18 1 75 HIS 1.00 -0.43 1 76 ALA -5.70 0.63 1 77 VAL 1.90 0.07 1 80 ASN -0.50 0.01 1 81 PHE 6.50 -0.46 1 82 SER 4.70 0.02 1 83 ASN -1.50 0.04 1 84 TYR -4.10 0.00 1 85 SER -1.70 0.13 1 86 GLU 4.50 -0.09 1 87 SER 4.60 -0.11 1 88 GLU 2.60 -0.23 1 90 ASP 3.70 -0.16 1 91 ARG 4.20 -0.30 1 92 GLU 1.90 0.30 1 93 LEU 2.70 -0.43 1 94 ALA 4.50 -0.63 1 95 ALA 3.80 -0.43 1 96 ALA 5.10 -0.85 1 97 TYR 5.20 -0.49 1 98 ARG 5.50 -0.37 1 99 GLU 4.00 -0.31 1 100 VAL 7.20 -0.89 1 101 ALA 3.80 -0.63 1 102 LYS 4.10 -0.40 1 103 GLU 1.60 -0.09 1 104 VAL 6.20 -0.82 1 105 THR 6.40 -0.50 1 106 ARG 4.20 -0.41 1 107 LEU -1.30 -0.37 1 109 VAL -1.20 0.14 1 110 ASN -0.30 0.01 1 111 SER -4.50 1.13 1 112 VAL -5.00 0.45 1 114 ILE -8.50 0.89 1 116 LEU 0.50 0.41 1 117 LEU -0.10 0.00 1 118 SER 7.80 -0.45 1 119 THR -2.80 0.49 1 121 VAL 4.40 0.08 1 122 TYR -1.70 0.59 1 123 SER 1.20 0.07 1 126 LYS -4.30 0.28 1 127 ASP 0.30 -0.07 1 128 ARG -1.10 0.02 1 129 LEU 7.50 -1.08 1 130 THR 7.00 -0.91 1 131 GLN 3.30 -0.51 1 132 SER 2.90 -0.19 1 133 LEU 2.50 -0.77 1 134 ASN 4.70 -0.26 1 135 HIS 0.50 0.02 1 137 PHE 1.40 -0.12 1 138 THR 5.80 -0.53 1 139 ALA 1.10 -0.06 1 140 MET 4.30 0.14 1 142 SER 0.60 0.00 1 143 THR -2.60 0.23 1 144 ASP -2.20 0.16 1 145 ALA -1.70 -0.20 1 146 ASP 0.90 0.06 1 147 VAL 1.00 0.02 1 148 VAL 0.10 0.34 1 149 ILE -2.10 1.07 1 150 TYR -2.80 0.99 1 154 LYS 4.00 -0.29 1 155 GLU 3.80 -0.08 1 156 TRP 5.40 -0.37 1 157 GLU 3.50 -0.59 1 158 LYS 3.90 -0.29 1 159 LYS 3.10 -0.29 1 160 ILE 4.80 -0.64 1 161 SER -0.30 -0.44 1 162 GLU 3.40 -0.38 1 163 ALA 3.10 -0.25 1 164 ILE 4.70 -0.85 1 165 GLN 3.60 -0.31 1 166 MET 1.20 -0.11 1 167 ARG 1.30 -0.07 1 168 THR 0.90 -0.25 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27158_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.50 _LACS_plot.Line_1_terminator_val_y_1 -3.88 _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 -0.97 _LACS_plot.Line_2_terminator_val_x_2 7.50 _LACS_plot.Line_2_terminator_val_y_2 2.83 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 114 ILE -8.50 -3.50 0 168 THR 0.90 4.40 0 129 LEU 7.50 -0.20 0 112 VAL -5.00 -5.50 0 27 VAL -6.00 -5.70 0 11 SER -2.70 -2.40 1 12 TYR -4.50 -0.60 1 13 ARG -5.70 -3.40 1 14 VAL -6.30 -2.90 1 15 LYS -5.10 -3.10 1 16 ARG -1.60 -1.70 1 17 MET -3.10 -2.90 1 18 ASP -0.30 0.80 1 19 ILE 3.50 -0.30 1 20 ALA 1.90 -0.30 1 21 LYS 0.10 -0.90 1 22 ASN 2.50 -1.20 1 23 ASP -1.80 -1.00 1 24 GLU -2.10 0.60 1 25 GLU 0.20 -2.30 1 28 VAL -3.00 -2.80 1 29 ASN -4.80 0.60 1 30 ALA 0.60 -3.00 1 31 ALA -4.30 -2.10 1 32 ASN -2.80 1.20 1 34 ARG 0.20 0.70 1 36 LEU -0.80 0.50 1 39 ASP -3.50 0.50 1 41 VAL 4.30 -0.20 1 43 LYS 3.90 1.70 1 44 ALA 2.80 2.90 1 45 VAL 5.60 1.40 1 46 TYR 5.00 -0.30 1 47 LYS 3.20 1.10 1 48 LYS 0.20 -1.10 1 49 TRP 1.60 -0.10 1 51 GLU 4.00 1.60 1 53 PHE 2.90 0.10 1 54 LYS 1.30 -1.30 1 55 ASN 2.30 -0.10 1 57 ALA 2.40 -1.40 1 58 THR -1.30 -2.90 1 60 VAL 3.50 0.20 1 62 THR -5.20 -3.80 1 63 ALA -5.90 -1.80 1 64 LYS -3.90 -2.00 1 65 THR 3.10 0.70 1 66 VAL -2.50 -1.70 1 67 MET 0.80 0.30 1 73 VAL -0.90 -2.00 1 74 ILE -0.20 -1.10 1 75 HIS 1.00 -0.90 1 76 ALA -5.70 -1.90 1 77 VAL 1.90 -0.30 1 80 ASN -0.50 2.50 1 81 PHE 6.50 0.20 1 83 ASN -1.50 -1.70 1 84 TYR -4.10 -0.70 1 85 SER -1.70 1.10 1 86 GLU 4.50 3.70 1 87 SER 4.60 2.80 1 88 GLU 2.60 2.30 1 90 ASP 3.70 0.80 1 91 ARG 4.20 3.50 1 92 GLU 1.90 1.60 1 93 LEU 2.70 -0.60 1 94 ALA 4.50 2.90 1 95 ALA 3.80 0.90 1 96 ALA 5.10 2.10 1 97 TYR 5.20 2.20 1 98 ARG 5.50 3.30 1 99 GLU 4.00 2.50 1 100 VAL 7.20 0.80 1 101 ALA 3.80 1.60 1 102 LYS 4.10 3.30 1 103 GLU 1.60 1.10 1 104 VAL 6.20 2.90 1 105 THR 6.40 1.60 1 106 ARG 4.20 2.50 1 107 LEU -1.30 1.20 1 109 VAL -1.20 -0.50 1 110 ASN -0.30 0.00 1 111 SER -4.50 -2.80 1 113 ALA -4.20 -2.20 1 116 LEU 0.50 0.90 1 117 LEU -0.10 -0.30 1 119 THR -2.80 1.70 1 121 VAL 4.40 0.80 1 122 TYR -1.70 0.50 1 123 SER 1.20 3.50 1 126 LYS -4.30 -1.80 1 127 ASP 0.30 -0.80 1 128 ARG -1.10 -0.80 1 131 GLN 3.30 1.70 1 132 SER 2.90 1.70 1 133 LEU 2.50 -0.50 1 134 ASN 4.70 4.00 1 135 HIS 0.50 3.10 1 136 LEU 6.70 1.40 1 137 PHE 1.40 1.80 1 138 THR 5.80 1.90 1 139 ALA 1.10 2.10 1 140 MET 4.30 3.10 1 141 ASP 2.80 0.40 1 142 SER 0.60 -0.70 1 143 THR -2.60 -2.70 1 144 ASP -2.20 -0.70 1 145 ALA -1.70 -2.60 1 146 ASP 0.90 -1.90 1 147 VAL 1.00 -1.70 1 148 VAL 0.10 -2.30 1 149 ILE -2.10 -0.60 1 150 TYR -2.80 0.50 1 154 LYS 4.00 1.90 1 155 GLU 3.80 3.40 1 156 TRP 5.40 1.20 1 157 GLU 3.50 1.20 1 158 LYS 3.90 2.10 1 159 LYS 3.10 3.70 1 160 ILE 4.80 0.90 1 161 SER -0.30 2.90 1 162 GLU 3.40 1.50 1 163 ALA 3.10 3.30 1 164 ILE 4.70 2.50 1 165 GLN 3.60 1.90 1 166 MET 1.20 0.20 1 167 ARG 1.30 -0.70 1 stop_ save_