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 bmr27268_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -9.60 _LACS_plot.Line_1_terminator_val_y_1 -3.45 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.05 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.04 _LACS_plot.Line_2_terminator_val_x_2 8.80 _LACS_plot.Line_2_terminator_val_y_2 5.91 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 90 THR -5.00 -4.60 0 17 PHE 2.30 -1.30 0 59 ASN 8.80 6.90 0 11 HIS 3.20 3.70 1 12 GLU 0.90 1.80 1 13 ASN 3.10 3.90 1 14 GLN 5.20 3.30 1 15 ARG 4.60 3.00 1 16 LEU 3.80 2.60 1 18 GLU 2.30 2.00 1 19 MET 1.50 2.20 1 20 LEU 1.50 1.90 1 22 ARG 2.70 1.10 1 23 LYS 4.00 0.20 1 25 LEU -6.50 -2.10 1 26 THR -3.90 -3.70 1 27 LEU -1.00 -0.30 1 28 ALA -1.10 1.30 1 29 THR -2.80 -0.50 1 30 ALA -8.40 -2.30 1 31 VAL 4.40 2.10 1 32 VAL -6.90 -2.50 1 33 GLN -4.10 -1.40 1 34 LEU -4.80 -1.80 1 35 TYR -4.30 -1.50 1 36 LEU -4.60 -2.20 1 37 ALA -1.20 -2.30 1 38 LEU -4.60 -1.20 1 42 ALA -0.70 0.10 1 43 GLU -0.90 -1.10 1 44 HIS -5.90 -1.30 1 45 TRP -5.30 -1.10 1 46 THR -0.60 1.30 1 47 LYS 3.90 1.70 1 48 GLU -1.10 0.10 1 49 HIS 4.20 4.30 1 52 ALA -4.60 -3.00 1 53 VAL -4.90 -3.70 1 55 PHE 0.20 -1.10 1 56 VAL -3.00 -0.40 1 57 LYS -1.50 -0.40 1 58 ASP -4.20 -2.40 1 61 GLN 0.30 0.70 1 62 LYS 3.60 0.20 1 63 SER -3.80 -2.90 1 64 TYR -5.40 -1.70 1 65 PHE -7.20 -1.80 1 66 ILE 0.70 0.90 1 67 ARG -4.90 0.00 1 68 LEU -5.70 -1.60 1 69 TYR -3.20 0.50 1 71 LEU 4.80 1.70 1 72 GLN 4.50 3.00 1 73 ALA 0.40 0.50 1 75 ARG -5.10 -1.70 1 76 LEU 1.10 0.20 1 77 LEU -0.40 0.10 1 78 TRP -1.00 1.00 1 79 GLU -8.10 -2.60 1 80 GLN -5.70 -2.10 1 81 GLU 1.20 0.50 1 82 LEU 1.00 -0.40 1 83 TYR -1.30 -2.60 1 85 GLN 3.90 1.00 1 86 LEU 4.70 3.80 1 87 VAL -0.50 0.00 1 88 TYR -1.70 0.20 1 89 SER -1.40 -0.40 1 92 THR -2.50 -1.70 1 94 PHE -4.10 -3.50 1 95 PHE -3.50 -1.00 1 96 HIS -9.60 -3.50 1 97 THR -5.60 -2.90 1 98 PHE -2.80 -1.60 1 99 ALA 0.60 -0.10 1 101 ASP 3.20 4.10 1 102 ASP -3.10 0.20 1 104 GLN 3.00 1.80 1 105 ALA -6.10 -1.70 1 107 LEU -5.80 -2.60 1 108 ASN -5.40 -2.10 1 109 PHE 0.80 0.90 1 110 ALA 2.10 1.00 1 112 GLU 4.00 3.60 1 113 ASP 5.70 4.00 1 114 GLU 4.10 4.10 1 115 ALA 3.50 2.80 1 116 GLN 4.50 3.10 1 117 ALA 3.00 2.30 1 118 PHE 3.40 4.80 1 119 ARG 4.30 2.80 1 120 ALA 3.80 2.60 1 121 LEU 2.00 0.60 1 122 VAL 5.90 4.40 1 123 GLN 5.10 3.10 1 124 GLU 2.40 2.30 1 125 LYS 3.90 0.50 1 126 ILE 4.00 3.30 1 127 GLN 3.70 2.60 1 128 LYS 3.00 2.00 1 129 ARG 2.60 1.50 1 130 ASN 0.90 0.90 1 131 GLN 1.10 0.90 1 132 ARG 0.70 0.30 1 133 GLN 0.70 1.00 1 134 SER 0.00 0.40 1 136 ASP -0.30 0.10 1 137 ARG 0.30 0.00 1 138 ARG 0.60 0.10 1 139 GLN 0.60 1.70 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27268_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -9.60 _LACS_plot.Line_1_terminator_val_y_1 6.15 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.95 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.96 _LACS_plot.Line_2_terminator_val_x_2 8.80 _LACS_plot.Line_2_terminator_val_y_2 -2.89 _LACS_plot.Y_axis_chem_shift_offset -0.26 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 90 THR -5.00 0.40 0 17 PHE 2.30 -3.60 0 59 ASN 8.80 -1.90 0 11 HIS 3.20 0.50 1 12 GLU 0.90 0.90 1 13 ASN 3.10 0.80 1 14 GLN 5.20 -1.90 1 15 ARG 4.60 -1.60 1 16 LEU 3.80 -1.20 1 18 GLU 2.30 -0.30 1 19 MET 1.50 0.70 1 20 LEU 1.50 0.40 1 22 ARG 2.70 -1.60 1 23 LYS 4.00 -3.80 1 25 LEU -6.50 4.40 1 26 THR -3.90 0.20 1 27 LEU -1.00 0.70 1 28 ALA -1.10 2.40 1 29 THR -2.80 2.30 1 30 ALA -8.40 6.10 1 31 VAL 4.40 -2.30 1 32 VAL -6.90 4.40 1 33 GLN -4.10 2.70 1 34 LEU -4.80 3.00 1 35 TYR -4.30 2.80 1 36 LEU -4.60 2.40 1 37 ALA -1.20 -1.10 1 38 LEU -4.60 3.40 1 42 ALA -0.70 0.80 1 43 GLU -0.90 -0.20 1 44 HIS -5.90 4.60 1 45 TRP -5.30 4.20 1 46 THR -0.60 1.90 1 47 LYS 3.90 -2.20 1 48 GLU -1.10 1.20 1 49 HIS 4.20 0.10 1 52 ALA -4.60 1.60 1 53 VAL -4.90 1.20 1 55 PHE 0.20 -1.30 1 56 VAL -3.00 2.60 1 57 LYS -1.50 1.10 1 58 ASP -4.20 1.80 1 61 GLN 0.30 0.40 1 62 LYS 3.60 -3.40 1 63 SER -3.80 0.90 1 64 TYR -5.40 3.70 1 65 PHE -7.20 5.40 1 66 ILE 0.70 0.20 1 67 ARG -4.90 4.90 1 68 LEU -5.70 4.10 1 69 TYR -3.20 3.70 1 71 LEU 4.80 -3.10 1 72 GLN 4.50 -1.50 1 73 ALA 0.40 0.10 1 75 ARG -5.10 3.40 1 76 LEU 1.10 -0.90 1 77 LEU -0.40 0.50 1 78 TRP -1.00 2.00 1 79 GLU -8.10 5.50 1 80 GLN -5.70 3.60 1 81 GLU 1.20 -0.70 1 82 LEU 1.00 -1.40 1 83 TYR -1.30 -1.30 1 85 GLN 3.90 -2.90 1 86 LEU 4.70 -0.90 1 87 VAL -0.50 0.50 1 88 TYR -1.70 1.90 1 89 SER -1.40 1.00 1 92 THR -2.50 0.80 1 94 PHE -4.10 0.60 1 95 PHE -3.50 2.50 1 96 HIS -9.60 6.10 1 97 THR -5.60 2.70 1 98 PHE -2.80 1.20 1 99 ALA 0.60 -0.70 1 101 ASP 3.20 0.90 1 102 ASP -3.10 3.30 1 104 GLN 3.00 -1.20 1 105 ALA -6.10 4.40 1 107 LEU -5.80 3.20 1 108 ASN -5.40 3.30 1 109 PHE 0.80 0.10 1 110 ALA 2.10 -1.10 1 112 GLU 4.00 -0.40 1 113 ASP 5.70 -1.70 1 114 GLU 4.10 0.00 1 115 ALA 3.50 -0.70 1 116 GLN 4.50 -1.40 1 117 ALA 3.00 -0.70 1 118 PHE 3.40 1.40 1 119 ARG 4.30 -1.50 1 120 ALA 3.80 -1.20 1 121 LEU 2.00 -1.40 1 122 VAL 5.90 -1.50 1 123 GLN 5.10 -2.00 1 124 GLU 2.40 -0.10 1 125 LYS 3.90 -3.40 1 126 ILE 4.00 -0.70 1 127 GLN 3.70 -1.10 1 128 LYS 3.00 -1.00 1 129 ARG 2.60 -1.10 1 130 ASN 0.90 0.00 1 131 GLN 1.10 -0.20 1 132 ARG 0.70 -0.40 1 133 GLN 0.70 0.30 1 134 SER 0.00 0.40 1 136 ASP -0.30 0.40 1 137 ARG 0.30 -0.30 1 138 ARG 0.60 -0.50 1 139 GLN 0.60 1.10 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27268_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -9.60 _LACS_plot.Line_1_terminator_val_y_1 1.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.15 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.27 _LACS_plot.Line_2_terminator_val_x_2 5.89 _LACS_plot.Line_2_terminator_val_y_2 -0.56 _LACS_plot.Y_axis_chem_shift_offset -0.06 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 115 ALA 3.50 -1.47 0 29 THR -2.80 1.61 0 122 VAL 5.90 -1.67 0 11 HIS 3.20 -0.35 1 12 GLU 0.90 -0.44 1 13 ASN 3.10 -0.78 1 14 GLN 5.20 -0.45 1 15 ARG 4.60 -0.34 1 19 MET 1.50 -0.31 1 20 LEU 1.50 -0.40 1 22 ARG 2.70 -0.21 1 23 LYS 4.00 -0.22 1 25 LEU -6.50 0.88 1 26 THR -3.90 0.78 1 27 LEU -1.00 0.10 1 28 ALA -1.10 0.13 1 30 ALA -8.40 0.99 1 31 VAL 4.40 0.38 1 32 VAL -6.90 1.55 1 34 LEU -4.80 0.45 1 35 TYR -4.30 0.35 1 36 LEU -4.60 1.06 1 37 ALA -1.20 0.68 1 43 GLU -0.90 -0.15 1 44 HIS -5.90 -0.06 1 45 TRP -5.30 0.04 1 46 THR -0.60 0.22 1 47 LYS 3.90 -1.20 1 49 HIS 4.20 -0.69 1 52 ALA -4.60 1.15 1 53 VAL -4.90 1.48 1 55 PHE 0.20 0.68 1 56 VAL -3.00 0.88 1 57 LYS -1.50 -0.22 1 58 ASP -4.20 0.60 1 61 GLN 0.30 -0.09 1 62 LYS 3.60 -0.64 1 63 SER -3.80 -0.05 1 64 TYR -5.40 1.11 1 65 PHE -7.20 0.38 1 66 ILE 0.70 0.79 1 67 ARG -4.90 0.72 1 68 LEU -5.70 0.86 1 69 TYR -3.20 0.15 1 72 GLN 4.50 -0.28 1 73 ALA 0.40 -0.15 1 75 ARG -5.10 0.48 1 76 LEU 1.10 -0.58 1 77 LEU -0.40 -0.12 1 78 TRP -1.00 -0.11 1 80 GLN -5.70 0.01 1 81 GLU 1.20 -0.49 1 82 LEU 1.00 -0.21 1 83 TYR -1.30 0.15 1 85 GLN 3.90 -0.09 1 86 LEU 4.70 -0.74 1 87 VAL -0.50 0.10 1 88 TYR -1.70 0.27 1 89 SER -1.40 0.43 1 94 PHE -4.10 0.17 1 95 PHE -3.50 1.49 1 96 HIS -9.60 0.79 1 97 THR -5.60 0.26 1 98 PHE -2.80 0.38 1 99 ALA 0.60 0.44 1 101 ASP 3.20 -0.23 1 102 ASP -3.10 0.40 1 104 GLN 3.00 0.33 1 105 ALA -6.10 1.06 1 107 LEU -5.80 0.40 1 108 ASN -5.40 1.38 1 109 PHE 0.80 0.12 1 110 ALA 2.10 -0.07 1 113 ASP 5.70 0.08 1 114 GLU 4.10 -0.07 1 116 GLN 4.50 -0.16 1 117 ALA 3.00 -0.11 1 119 ARG 4.30 0.20 1 120 ALA 3.80 -0.42 1 121 LEU 2.00 -0.42 1 123 GLN 5.10 -0.68 1 125 LYS 3.90 -0.35 1 126 ILE 4.00 -0.45 1 127 GLN 3.70 -0.22 1 128 LYS 3.00 -0.18 1 129 ARG 2.60 -0.10 1 130 ASN 0.90 -0.09 1 131 GLN 1.10 0.18 1 134 SER 0.00 -0.01 1 136 ASP -0.30 -0.04 1 137 ARG 0.30 0.03 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr27268_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -9.60 _LACS_plot.Line_1_terminator_val_y_1 -3.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.41 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.27 _LACS_plot.Line_2_terminator_val_x_2 5.89 _LACS_plot.Line_2_terminator_val_y_2 2.13 _LACS_plot.Y_axis_chem_shift_offset 0.37 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 96 HIS -9.60 0.40 0 11 HIS 3.20 3.70 1 12 GLU 0.90 0.80 1 13 ASN 3.10 0.30 1 14 GLN 5.20 2.80 1 15 ARG 4.60 2.10 1 16 LEU 3.80 0.70 1 17 PHE 2.30 4.10 1 18 GLU 2.30 2.00 1 19 MET 1.50 0.70 1 20 LEU 1.50 1.00 1 22 ARG 2.70 1.00 1 23 LYS 4.00 -2.00 1 25 LEU -6.50 -1.00 1 26 THR -3.90 -1.10 1 27 LEU -1.00 -0.60 1 28 ALA -1.10 -3.10 1 29 THR -2.80 -0.60 1 30 ALA -8.40 -2.10 1 31 VAL 4.40 0.70 1 32 VAL -6.90 -0.70 1 33 GLN -4.10 -1.50 1 34 LEU -4.80 -3.50 1 35 TYR -4.30 -2.30 1 36 LEU -4.60 -1.20 1 37 ALA -1.20 -3.40 1 42 ALA -0.70 -0.80 1 43 GLU -0.90 -2.40 1 44 HIS -5.90 -0.10 1 45 TRP -5.30 0.20 1 46 THR -0.60 -1.20 1 47 LYS 3.90 -2.00 1 48 GLU -1.10 -1.60 1 49 HIS 4.20 4.50 1 52 ALA -4.60 -2.40 1 53 VAL -4.90 -3.90 1 55 PHE 0.20 -2.50 1 56 VAL -3.00 0.00 1 57 LYS -1.50 -3.40 1 58 ASP -4.20 -0.80 1 61 GLN 0.30 -2.60 1 62 LYS 3.60 -1.10 1 63 SER -3.80 -1.70 1 64 TYR -5.40 -1.10 1 65 PHE -7.20 -1.90 1 66 ILE 0.70 -1.10 1 67 ARG -4.90 -3.60 1 68 LEU -5.70 -3.60 1 69 TYR -3.20 -1.50 1 71 LEU 4.80 0.90 1 72 GLN 4.50 2.00 1 73 ALA 0.40 0.70 1 75 ARG -5.10 -2.10 1 76 LEU 1.10 -1.70 1 77 LEU -0.40 -0.80 1 78 TRP -1.00 -3.70 1 79 GLU -8.10 -4.30 1 80 GLN -5.70 -1.40 1 81 GLU 1.20 0.10 1 82 LEU 1.00 -3.60 1 83 TYR -1.30 0.50 1 85 GLN 3.90 -1.20 1 86 LEU 4.70 -2.20 1 87 VAL -0.50 -1.90 1 88 TYR -1.70 -1.10 1 89 SER -1.40 -1.50 1 94 PHE -4.10 -3.90 1 95 PHE -3.50 -3.30 1 97 THR -5.60 -2.70 1 98 PHE -2.80 -3.00 1 99 ALA 0.60 0.50 1 101 ASP 3.20 0.20 1 102 ASP -3.10 -2.10 1 104 GLN 3.00 -1.60 1 105 ALA -6.10 -2.30 1 107 LEU -5.80 -5.00 1 108 ASN -5.40 -0.10 1 109 PHE 0.80 1.20 1 110 ALA 2.10 -0.40 1 112 GLU 4.00 2.30 1 113 ASP 5.70 4.20 1 114 GLU 4.10 3.90 1 115 ALA 3.50 1.80 1 116 GLN 4.50 2.50 1 117 ALA 3.00 1.70 1 119 ARG 4.30 1.00 1 120 ALA 3.80 2.60 1 121 LEU 2.00 0.60 1 122 VAL 5.90 1.80 1 123 GLN 5.10 2.30 1 125 LYS 3.90 2.70 1 126 ILE 4.00 1.60 1 127 GLN 3.70 2.10 1 128 LYS 3.00 1.60 1 129 ARG 2.60 0.90 1 130 ASN 0.90 0.70 1 131 GLN 1.10 0.40 1 133 GLN 0.70 0.20 1 134 SER 0.00 0.40 1 136 ASP -0.30 -0.10 1 137 ARG 0.30 -0.20 1 138 ARG 0.60 -0.80 1 stop_ save_