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 bmr6004_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.10 _LACS_plot.Line_1_terminator_val_y_1 -2.93 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.66 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.34 _LACS_plot.Line_2_terminator_val_x_2 6.80 _LACS_plot.Line_2_terminator_val_y_2 5.16 _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 128 LEU 2.50 -2.80 0 11 VAL 5.80 3.80 1 12 ILE 4.50 3.20 1 13 LYS 4.20 3.70 1 14 VAL 5.30 3.90 1 15 PHE 3.70 3.20 1 16 ASN 4.30 3.50 1 17 ASP 3.20 2.70 1 18 MET 1.20 3.20 1 19 LYS 2.80 2.00 1 20 VAL 1.10 0.60 1 21 ARG 1.50 -0.10 1 22 LYS 0.60 0.60 1 23 SER -0.40 -0.30 1 24 SER 0.20 1.00 1 25 THR -0.10 -0.50 1 27 GLU 3.70 3.00 1 28 GLU 1.80 2.00 1 29 VAL 5.50 4.30 1 30 LYS 2.80 2.70 1 31 LYS -0.10 -0.20 1 32 ARG 1.10 1.10 1 33 LYS 1.30 0.80 1 34 LYS -2.50 -0.80 1 35 ALA -5.70 -1.40 1 36 VAL -4.60 -1.60 1 37 LEU -3.50 -0.60 1 38 PHE -6.30 -4.20 1 40 LEU -2.50 -0.90 1 41 SER -0.70 -0.10 1 42 GLU 4.10 3.50 1 43 ASP 0.60 -0.80 1 44 LYS 5.40 1.40 1 45 LYS -0.10 0.50 1 46 ASN -6.10 -1.30 1 47 ILE -0.20 -0.60 1 48 ILE -5.50 -1.20 1 49 LEU 0.20 0.70 1 50 GLU -0.30 -0.80 1 51 GLU 2.20 2.00 1 53 LYS -0.60 -3.00 1 54 GLU -6.00 -3.10 1 55 ILE -4.00 -0.80 1 56 LEU -0.90 -1.60 1 57 VAL 6.80 5.20 1 59 ASP 1.20 1.70 1 60 VAL 4.80 2.60 1 62 GLN 0.30 0.60 1 63 THR 0.10 0.10 1 64 VAL -1.50 -0.70 1 65 ASP 0.60 1.00 1 66 ASP -2.50 -1.60 1 68 TYR 5.60 5.00 1 69 ALA 2.40 2.00 1 70 THR 6.80 5.60 1 71 PHE 4.00 2.80 1 72 VAL 5.50 3.60 1 73 LYS 2.30 1.70 1 74 MET 0.20 1.50 1 75 LEU 3.10 -0.80 1 77 ASP 2.40 2.40 1 78 LYS -1.40 -1.70 1 79 ASP -4.40 -1.40 1 81 ARG -9.10 -1.90 1 82 TYR -5.90 -2.90 1 83 ALA -6.40 -1.20 1 84 LEU -5.50 -1.70 1 85 TYR -4.50 -0.60 1 86 ASP -1.00 -1.50 1 87 ALA -2.70 -0.90 1 88 THR -0.10 0.20 1 89 TYR -2.20 -1.80 1 90 GLU -5.10 -1.30 1 91 THR -4.40 -2.30 1 92 LYS 4.00 3.10 1 93 GLU -0.70 1.10 1 94 SER -2.30 -0.10 1 95 LYS 0.80 0.70 1 96 LYS -4.70 -1.30 1 97 GLU -5.20 -1.90 1 98 ASP -6.20 0.40 1 99 LEU -2.00 -0.40 1 100 VAL -3.00 -1.00 1 101 PHE -2.90 -1.20 1 102 ILE -4.10 -1.60 1 103 PHE -4.10 -4.10 1 104 TRP -5.10 -2.70 1 105 ALA -2.60 -2.30 1 107 GLU 2.40 2.10 1 108 SER 0.60 0.10 1 109 ALA 0.30 -0.10 1 111 LEU 4.60 3.80 1 112 LYS 4.40 3.50 1 113 SER 3.50 2.90 1 114 LYS 5.80 4.70 1 115 MET 4.00 3.70 1 116 ILE 4.20 3.50 1 117 TYR 5.30 4.30 1 118 ALA 4.50 3.60 1 119 SER 3.60 2.90 1 120 SER 1.40 1.30 1 121 LYS 5.30 3.70 1 122 ASP 4.00 3.20 1 123 ALA 3.50 2.30 1 124 ILE 3.70 2.10 1 125 LYS 5.10 3.20 1 126 LYS 2.80 2.20 1 127 LYS -0.20 -0.80 1 129 THR 2.10 1.70 1 131 ILE 1.80 0.70 1 132 LYS -0.10 0.80 1 133 HIS -5.10 0.30 1 134 GLU -6.50 -2.60 1 135 LEU -4.90 -0.90 1 136 GLN -2.00 -1.30 1 137 ALA -6.00 -2.20 1 138 ASN -2.20 -0.70 1 140 TYR 4.60 4.20 1 141 GLU 5.50 4.30 1 142 GLU 0.00 1.50 1 143 VAL -0.30 0.30 1 144 LYS 2.80 1.90 1 145 ASP -0.90 -0.50 1 146 ARG 3.60 2.90 1 148 THR 6.10 4.30 1 149 LEU 4.20 2.50 1 150 ALA 3.30 3.30 1 151 GLU 3.40 2.70 1 152 LYS 3.20 1.10 1 153 LEU 1.80 0.90 1 156 SER 2.20 1.50 1 157 ALA -0.20 0.30 1 158 VAL 3.30 1.60 1 159 ILE -0.30 0.20 1 160 SER -1.80 -0.90 1 161 LEU -3.90 -0.20 1 162 GLU 3.00 -0.60 1 164 LYS -3.00 -1.70 1 166 LEU 1.60 1.60 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6004_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.10 _LACS_plot.Line_1_terminator_val_y_1 6.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.34 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.66 _LACS_plot.Line_2_terminator_val_x_2 6.80 _LACS_plot.Line_2_terminator_val_y_2 -1.64 _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 128 LEU 2.50 -5.30 0 11 VAL 5.80 -2.00 1 12 ILE 4.50 -1.30 1 13 LYS 4.20 -0.50 1 14 VAL 5.30 -1.40 1 15 PHE 3.70 -0.50 1 16 ASN 4.30 -0.80 1 17 ASP 3.20 -0.50 1 18 MET 1.20 2.00 1 19 LYS 2.80 -0.80 1 20 VAL 1.10 -0.50 1 21 ARG 1.50 -1.60 1 22 LYS 0.60 0.00 1 23 SER -0.40 0.10 1 24 SER 0.20 0.80 1 25 THR -0.10 -0.40 1 27 GLU 3.70 -0.70 1 28 GLU 1.80 0.20 1 29 VAL 5.50 -1.20 1 30 LYS 2.80 -0.10 1 31 LYS -0.10 -0.10 1 32 ARG 1.10 0.00 1 33 LYS 1.30 -0.50 1 34 LYS -2.50 1.70 1 35 ALA -5.70 4.30 1 36 VAL -4.60 3.00 1 37 LEU -3.50 2.90 1 38 PHE -6.30 2.10 1 40 LEU -2.50 1.60 1 41 SER -0.70 0.60 1 42 GLU 4.10 -0.60 1 43 ASP 0.60 -1.40 1 44 LYS 5.40 -4.00 1 45 LYS -0.10 0.60 1 46 ASN -6.10 4.80 1 47 ILE -0.20 -0.40 1 48 ILE -5.50 4.30 1 49 LEU 0.20 0.50 1 50 GLU -0.30 -0.50 1 51 GLU 2.20 -0.20 1 53 LYS -0.60 -2.40 1 54 GLU -6.00 2.90 1 55 ILE -4.00 3.20 1 56 LEU -0.90 -0.70 1 57 VAL 6.80 -1.60 1 59 ASP 1.20 0.50 1 60 VAL 4.80 -2.20 1 62 GLN 0.30 0.30 1 63 THR 0.10 0.00 1 64 VAL -1.50 0.80 1 65 ASP 0.60 0.40 1 66 ASP -2.50 0.90 1 68 TYR 5.60 -0.60 1 69 ALA 2.40 -0.40 1 70 THR 6.80 -1.20 1 71 PHE 4.00 -1.20 1 72 VAL 5.50 -1.90 1 73 LYS 2.30 -0.60 1 74 MET 0.20 1.30 1 75 LEU 3.10 -3.90 1 77 ASP 2.40 0.00 1 78 LYS -1.40 -0.30 1 79 ASP -4.40 3.00 1 81 ARG -9.10 7.20 1 82 TYR -5.90 3.00 1 83 ALA -6.40 5.20 1 84 LEU -5.50 3.80 1 85 TYR -4.50 3.90 1 86 ASP -1.00 -0.50 1 87 ALA -2.70 1.80 1 88 THR -0.10 0.30 1 89 TYR -2.20 0.40 1 90 GLU -5.10 3.80 1 91 THR -4.40 2.10 1 92 LYS 4.00 -0.90 1 93 GLU -0.70 1.80 1 94 SER -2.30 2.20 1 95 LYS 0.80 -0.10 1 96 LYS -4.70 3.40 1 97 GLU -5.20 3.30 1 98 ASP -6.20 6.60 1 99 LEU -2.00 1.60 1 100 VAL -3.00 2.00 1 101 PHE -2.90 1.70 1 102 ILE -4.10 2.50 1 103 PHE -4.10 0.00 1 104 TRP -5.10 2.40 1 105 ALA -2.60 0.30 1 107 GLU 2.40 -0.30 1 108 SER 0.60 -0.50 1 109 ALA 0.30 -0.40 1 111 LEU 4.60 -0.80 1 112 LYS 4.40 -0.90 1 113 SER 3.50 -0.60 1 114 LYS 5.80 -1.10 1 115 MET 4.00 -0.30 1 116 ILE 4.20 -0.70 1 117 TYR 5.30 -1.00 1 118 ALA 4.50 -0.90 1 119 SER 3.60 -0.70 1 120 SER 1.40 -0.10 1 121 LYS 5.30 -1.60 1 122 ASP 4.00 -0.80 1 123 ALA 3.50 -1.20 1 124 ILE 3.70 -1.60 1 125 LYS 5.10 -1.90 1 126 LYS 2.80 -0.60 1 127 LYS -0.20 -0.60 1 129 THR 2.10 -0.40 1 131 ILE 1.80 -1.10 1 132 LYS -0.10 0.90 1 133 HIS -5.10 5.40 1 134 GLU -6.50 3.90 1 135 LEU -4.90 4.00 1 136 GLN -2.00 0.70 1 137 ALA -6.00 3.80 1 138 ASN -2.20 1.50 1 140 TYR 4.60 -0.40 1 141 GLU 5.50 -1.20 1 142 GLU 0.00 1.50 1 143 VAL -0.30 0.60 1 144 LYS 2.80 -0.90 1 145 ASP -0.90 0.40 1 146 ARG 3.60 -0.70 1 148 THR 6.10 -1.80 1 149 LEU 4.20 -1.70 1 150 ALA 3.30 0.00 1 151 GLU 3.40 -0.70 1 152 LYS 3.20 -2.10 1 153 LEU 1.80 -0.90 1 156 SER 2.20 -0.70 1 157 ALA -0.20 0.50 1 158 VAL 3.30 -1.70 1 159 ILE -0.30 0.50 1 160 SER -1.80 0.90 1 161 LEU -3.90 3.70 1 162 GLU 3.00 -3.60 1 164 LYS -3.00 1.30 1 166 LEU 1.60 0.00 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6004_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.10 _LACS_plot.Line_1_terminator_val_y_1 1.13 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.19 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.28 _LACS_plot.Line_2_terminator_val_x_2 6.80 _LACS_plot.Line_2_terminator_val_y_2 -0.74 _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 72 VAL 5.50 -1.59 0 81 ARG -9.10 0.33 0 11 VAL 5.80 -0.72 1 12 ILE 4.50 -0.66 1 13 LYS 4.20 -0.24 1 14 VAL 5.30 -0.17 1 15 PHE 3.70 -0.43 1 16 ASN 4.30 -0.80 1 17 ASP 3.20 -0.18 1 18 MET 1.20 -0.40 1 19 LYS 2.80 -0.43 1 20 VAL 1.10 -0.16 1 21 ARG 1.50 -0.23 1 22 LYS 0.60 -0.05 1 23 SER -0.40 0.04 1 24 SER 0.20 0.06 1 25 THR -0.10 0.19 1 27 GLU 3.70 -0.38 1 28 GLU 1.80 -0.39 1 29 VAL 5.50 -0.61 1 30 LYS 2.80 -0.58 1 31 LYS -0.10 -0.04 1 32 ARG 1.10 -0.22 1 33 LYS 1.30 0.05 1 34 LYS -2.50 0.03 1 35 ALA -5.70 0.80 1 36 VAL -4.60 0.76 1 37 LEU -3.50 0.65 1 38 PHE -6.30 1.32 1 40 LEU -2.50 0.71 1 41 SER -0.70 -0.15 1 42 GLU 4.10 -0.27 1 43 ASP 0.60 -0.23 1 44 LYS 5.40 -0.66 1 45 LYS -0.10 0.05 1 46 ASN -6.10 0.99 1 48 ILE -5.50 0.51 1 49 LEU 0.20 0.24 1 50 GLU -0.30 0.03 1 51 GLU 2.20 -0.37 1 53 LYS -0.60 0.40 1 54 GLU -6.00 0.77 1 55 ILE -4.00 0.23 1 56 LEU -0.90 0.67 1 57 VAL 6.80 -0.71 1 59 ASP 1.20 0.08 1 60 VAL 4.80 -0.05 1 62 GLN 0.30 0.24 1 63 THR 0.10 0.08 1 64 VAL -1.50 0.12 1 65 ASP 0.60 0.01 1 66 ASP -2.50 0.21 1 68 TYR 5.60 -0.40 1 69 ALA 2.40 -0.42 1 70 THR 6.80 -0.65 1 71 PHE 4.00 -0.53 1 73 LYS 2.30 -0.45 1 74 MET 0.20 -0.44 1 75 LEU 3.10 -0.95 1 77 ASP 2.40 -0.10 1 78 LYS -1.40 -0.05 1 79 ASP -4.40 0.28 1 82 TYR -5.90 1.37 1 83 ALA -6.40 0.74 1 84 LEU -5.50 1.07 1 85 TYR -4.50 -0.10 1 86 ASP -1.00 0.23 1 87 ALA -2.70 0.45 1 88 THR -0.10 0.71 1 89 TYR -2.20 0.86 1 90 GLU -5.10 0.76 1 91 THR -4.40 0.95 1 92 LYS 4.00 -0.30 1 93 GLU -0.70 -0.02 1 94 SER -2.30 0.18 1 95 LYS 0.80 0.24 1 96 LYS -4.70 0.16 1 97 GLU -5.20 1.26 1 98 ASP -6.20 0.48 1 99 LEU -2.00 0.52 1 100 VAL -3.00 0.46 1 101 PHE -2.90 0.85 1 102 ILE -4.10 0.94 1 103 PHE -4.10 0.93 1 104 TRP -5.10 0.28 1 105 ALA -2.60 -0.16 1 107 GLU 2.40 -0.55 1 108 SER 0.60 -0.22 1 109 ALA 0.30 -0.29 1 111 LEU 4.60 -0.41 1 112 LYS 4.40 -0.26 1 113 SER 3.50 0.02 1 114 LYS 5.80 -0.16 1 115 MET 4.00 -0.20 1 116 ILE 4.20 -0.09 1 117 TYR 5.30 -0.31 1 118 ALA 4.50 -0.14 1 119 SER 3.60 -0.10 1 120 SER 1.40 0.11 1 121 LYS 5.30 -0.78 1 122 ASP 4.00 -0.42 1 123 ALA 3.50 -0.39 1 124 ILE 3.70 -0.43 1 125 LYS 5.10 -1.08 1 126 LYS 2.80 -0.45 1 127 LYS -0.20 -0.09 1 128 LEU 2.50 -0.70 1 129 THR 2.10 -0.45 1 131 ILE 1.80 0.08 1 132 LYS -0.10 -0.04 1 133 HIS -5.10 0.32 1 134 GLU -6.50 1.55 1 135 LEU -4.90 0.45 1 136 GLN -2.00 1.11 1 137 ALA -6.00 0.62 1 138 ASN -2.20 -0.20 1 140 TYR 4.60 -0.20 1 141 GLU 5.50 -0.58 1 142 GLU 0.00 -0.03 1 143 VAL -0.30 0.22 1 144 LYS 2.80 -0.36 1 145 ASP -0.90 0.03 1 146 ARG 3.60 -0.76 1 148 THR 6.10 -0.44 1 149 LEU 4.20 -0.47 1 150 ALA 3.30 -0.79 1 151 GLU 3.40 -0.46 1 152 LYS 3.20 -0.19 1 153 LEU 1.80 -0.74 1 156 SER 2.20 -0.15 1 157 ALA -0.20 -0.03 1 158 VAL 3.30 -0.11 1 159 ILE -0.30 0.33 1 160 SER -1.80 0.20 1 161 LEU -3.90 0.55 1 162 GLU 3.00 -0.26 1 164 LYS -3.00 0.37 1 166 LEU 1.60 -0.26 1 stop_ save_