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 bmr16779_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.61 _LACS_plot.Line_1_terminator_val_y_1 -2.59 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 1.28 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.26 _LACS_plot.Line_2_terminator_val_x_2 6.01 _LACS_plot.Line_2_terminator_val_y_2 4.54 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 33 HIS 3.01 5.05 0 10 LEU -2.81 -1.73 1 12 ALA 2.45 1.33 1 13 SER 0.55 1.11 1 15 ASP 2.57 2.20 1 16 LYS -3.07 -1.25 1 17 ARG 1.18 0.92 1 18 ILE 0.18 -0.01 1 19 ARG -0.13 -0.42 1 21 TYR 0.35 -1.68 1 22 GLU -1.12 0.23 1 23 MET -0.91 -0.82 1 24 THR -5.27 -1.61 1 25 MET -3.59 -2.75 1 26 ARG -1.68 -0.74 1 27 VAL -2.33 -0.93 1 28 LYS 6.01 2.50 1 29 ASP 1.01 -0.14 1 30 LYS -3.41 -0.99 1 31 VAL -3.50 -1.93 1 32 TYR -5.61 -1.90 1 34 LEU 5.26 4.32 1 35 GLU 2.68 2.10 1 37 PHE 2.63 0.52 1 38 LYS -4.95 -2.84 1 40 ALA 1.80 2.05 1 41 ALA 0.19 1.30 1 43 GLN 5.47 1.77 1 44 LYS 1.95 1.06 1 45 HIS 0.81 1.15 1 46 PHE -2.22 1.04 1 47 SER -2.66 -1.36 1 48 VAL 4.42 2.95 1 50 ASP -0.35 1.05 1 51 ARG -2.72 -0.80 1 52 TYR -4.31 -1.76 1 53 LEU -5.14 -1.44 1 54 LEU -2.90 -1.43 1 55 ILE -1.33 -1.31 1 56 ASN 5.22 3.17 1 57 SER 0.64 0.76 1 58 ASP -1.37 0.55 1 59 ILE -0.84 -1.80 1 60 VAL -4.46 -2.07 1 62 GLU 2.64 2.99 1 63 GLN 3.90 3.15 1 64 ASP -1.05 1.33 1 65 ILE 4.69 4.42 1 66 TYR 5.54 4.01 1 67 GLU 2.75 2.27 1 68 TRP 2.53 3.41 1 69 THR 3.27 2.92 1 70 LYS 3.66 2.76 1 71 ILE 1.59 1.38 1 72 ASN 0.45 0.81 1 84 ASP -1.25 -0.38 1 85 VAL 1.80 0.82 1 86 MET -3.66 -1.54 1 87 VAL -3.05 -1.71 1 88 VAL 4.03 3.04 1 90 GLU 0.27 0.57 1 92 THR -4.74 -2.21 1 93 LEU -0.12 0.44 1 94 MET 2.19 2.27 1 97 GLU -0.49 0.00 1 98 PHE 0.10 0.11 1 100 ASP 0.55 0.72 1 101 GLU 0.95 0.94 1 102 ASP 0.05 0.41 1 103 GLU 0.80 0.88 1 104 ARG 1.43 0.93 1 105 LEU 0.74 0.51 1 106 ILE 0.61 0.39 1 107 THR 0.71 0.58 1 108 ARG 0.36 0.25 1 109 LEU 0.35 0.30 1 110 GLU -0.14 0.22 1 111 ASN 0.37 0.36 1 112 THR 0.40 0.41 1 113 GLN 0.35 0.27 1 114 PHE 0.11 0.15 1 115 ASP -0.21 0.00 1 116 ALA 0.20 0.32 1 117 ALA 0.30 0.24 1 118 ASN -0.01 0.26 1 120 ILE -0.06 0.03 1 121 ASP -0.01 0.28 1 122 ASP -0.01 0.27 1 123 GLU 0.26 1.59 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16779_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.61 _LACS_plot.Line_1_terminator_val_y_1 3.02 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.72 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.74 _LACS_plot.Line_2_terminator_val_x_2 6.01 _LACS_plot.Line_2_terminator_val_y_2 -1.47 _LACS_plot.Y_axis_chem_shift_offset -0.22 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 33 HIS 3.01 2.04 0 10 LEU -2.81 1.08 1 12 ALA 2.45 -1.12 1 13 SER 0.55 0.56 1 15 ASP 2.57 -0.37 1 16 LYS -3.07 1.82 1 17 ARG 1.18 -0.26 1 18 ILE 0.18 -0.19 1 19 ARG -0.13 -0.29 1 21 TYR 0.35 -2.03 1 22 GLU -1.12 1.35 1 23 MET -0.91 0.09 1 24 THR -5.27 3.66 1 25 MET -3.59 0.84 1 26 ARG -1.68 0.94 1 27 VAL -2.33 1.40 1 28 LYS 6.01 -3.51 1 29 ASP 1.01 -1.15 1 30 LYS -3.41 2.42 1 31 VAL -3.50 1.57 1 32 TYR -5.61 3.71 1 34 LEU 5.26 -0.94 1 35 GLU 2.68 -0.58 1 37 PHE 2.63 -2.11 1 38 LYS -4.95 2.11 1 40 ALA 1.80 0.25 1 41 ALA 0.19 1.11 1 43 GLN 5.47 -3.70 1 44 LYS 1.95 -0.89 1 45 HIS 0.81 0.34 1 46 PHE -2.22 3.26 1 47 SER -2.66 1.30 1 48 VAL 4.42 -1.47 1 50 ASP -0.35 1.40 1 51 ARG -2.72 1.92 1 52 TYR -4.31 2.55 1 53 LEU -5.14 3.70 1 54 LEU -2.90 1.47 1 55 ILE -1.33 0.02 1 56 ASN 5.22 -2.05 1 57 SER 0.64 0.12 1 58 ASP -1.37 1.92 1 59 ILE -0.84 -0.96 1 60 VAL -4.46 2.39 1 62 GLU 2.64 0.35 1 63 GLN 3.90 -0.75 1 64 ASP -1.05 2.38 1 65 ILE 4.69 -0.27 1 66 TYR 5.54 -1.53 1 67 GLU 2.75 -0.48 1 68 TRP 2.53 0.88 1 69 THR 3.27 -0.35 1 70 LYS 3.66 -0.90 1 71 ILE 1.59 -0.21 1 72 ASN 0.45 0.36 1 84 ASP -1.25 0.87 1 85 VAL 1.80 -0.98 1 86 MET -3.66 2.12 1 87 VAL -3.05 1.34 1 88 VAL 4.03 -0.99 1 90 GLU 0.27 0.30 1 92 THR -4.74 2.53 1 93 LEU -0.12 0.56 1 94 MET 2.19 0.08 1 97 GLU -0.49 0.49 1 98 PHE 0.10 0.01 1 100 ASP 0.55 0.17 1 101 GLU 0.95 -0.01 1 102 ASP 0.05 0.36 1 103 GLU 0.80 0.08 1 104 ARG 1.43 -0.50 1 105 LEU 0.74 -0.23 1 106 ILE 0.61 -0.22 1 107 THR 0.71 -0.13 1 108 ARG 0.36 -0.11 1 109 LEU 0.35 -0.05 1 110 GLU -0.14 0.36 1 111 ASN 0.37 -0.01 1 112 THR 0.40 0.01 1 113 GLN 0.35 -0.08 1 114 PHE 0.11 0.04 1 115 ASP -0.21 0.21 1 116 ALA 0.20 0.12 1 117 ALA 0.30 -0.06 1 118 ASN -0.01 0.27 1 120 ILE -0.06 0.09 1 121 ASP -0.01 0.29 1 122 ASP -0.01 0.28 1 123 GLU 0.26 1.33 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16779_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -5.61 _LACS_plot.Line_1_terminator_val_y_1 0.44 _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 0.14 _LACS_plot.Line_2_terminator_val_x_2 6.01 _LACS_plot.Line_2_terminator_val_y_2 -0.53 _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 51 ARG -2.72 1.23 0 10 LEU -2.81 0.02 1 12 ALA 2.45 -0.24 1 13 SER 0.55 0.49 1 15 ASP 2.57 -0.21 1 16 LYS -3.07 0.38 1 17 ARG 1.18 -0.10 1 18 ILE 0.18 -0.21 1 19 ARG -0.13 -0.11 1 21 TYR 0.35 -0.06 1 22 GLU -1.12 0.05 1 23 MET -0.91 0.33 1 24 THR -5.27 0.85 1 25 MET -3.59 0.38 1 26 ARG -1.68 0.66 1 27 VAL -2.33 0.04 1 28 LYS 6.01 -0.60 1 29 ASP 1.01 -0.02 1 30 LYS -3.41 0.15 1 31 VAL -3.50 0.73 1 32 TYR -5.61 1.26 1 33 HIS 3.01 -0.22 1 34 LEU 5.26 -0.33 1 35 GLU 2.68 -0.17 1 37 PHE 2.63 -0.53 1 38 LYS -4.95 0.29 1 40 ALA 1.80 -0.31 1 41 ALA 0.19 0.22 1 43 GLN 5.47 -0.36 1 44 LYS 1.95 -0.15 1 45 HIS 0.81 -0.27 1 46 PHE -2.22 0.01 1 47 SER -2.66 0.34 1 48 VAL 4.42 -0.71 1 50 ASP -0.35 0.09 1 52 TYR -4.31 0.37 1 53 LEU -5.14 0.20 1 54 LEU -2.90 0.81 1 55 ILE -1.33 0.17 1 56 ASN 5.22 -0.50 1 57 SER 0.64 0.13 1 58 ASP -1.37 0.24 1 59 ILE -0.84 0.32 1 60 VAL -4.46 0.89 1 62 GLU 2.64 -0.52 1 63 GLN 3.90 -0.17 1 64 ASP -1.05 0.47 1 65 ILE 4.69 -0.46 1 66 TYR 5.54 -0.33 1 67 GLU 2.75 -0.37 1 68 TRP 2.53 -0.43 1 69 THR 3.27 -0.32 1 70 LYS 3.66 -0.38 1 71 ILE 1.59 -0.21 1 72 ASN 0.45 -0.14 1 84 ASP -1.25 0.07 1 85 VAL 1.80 -0.12 1 86 MET -3.66 -0.01 1 87 VAL -3.05 0.71 1 88 VAL 4.03 -0.44 1 90 GLU 0.27 -0.22 1 92 THR -4.74 0.33 1 93 LEU -0.12 0.19 1 94 MET 2.19 -0.28 1 97 GLU -0.49 -0.12 1 98 PHE 0.10 0.04 1 100 ASP 0.55 -0.09 1 101 GLU 0.95 -0.18 1 102 ASP 0.05 -0.02 1 103 GLU 0.80 -0.16 1 104 ARG 1.43 -0.12 1 105 LEU 0.74 -0.02 1 106 ILE 0.61 0.01 1 107 THR 0.71 -0.06 1 108 ARG 0.36 0.03 1 109 LEU 0.35 0.00 1 110 GLU -0.14 -0.07 1 111 ASN 0.37 0.03 1 112 THR 0.40 -0.06 1 113 GLN 0.35 -0.05 1 114 PHE 0.11 -0.01 1 115 ASP -0.21 -0.08 1 116 ALA 0.20 -0.09 1 117 ALA 0.30 -0.02 1 118 ASN -0.01 -0.03 1 120 ILE -0.06 0.04 1 121 ASP -0.01 0.02 1 122 ASP -0.01 -0.02 1 123 GLU 0.26 -0.26 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr16779_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -5.61 _LACS_plot.Line_1_terminator_val_y_1 -2.17 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.52 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.86 _LACS_plot.Line_2_terminator_val_x_2 6.01 _LACS_plot.Line_2_terminator_val_y_2 1.84 _LACS_plot.Y_axis_chem_shift_offset 0.19 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 37 PHE 2.63 -4.57 0 32 TYR -5.61 2.80 0 10 LEU -2.81 -2.55 1 12 ALA 2.45 -0.52 1 13 SER 0.55 1.06 1 15 ASP 2.57 -2.23 1 16 LYS -3.07 0.02 1 17 ARG 1.18 -0.04 1 18 ILE 0.18 -0.55 1 21 TYR 0.35 -0.93 1 22 GLU -1.12 -0.84 1 23 MET -0.91 0.69 1 24 THR -5.27 -1.37 1 25 MET -3.59 -1.41 1 26 ARG -1.68 -0.53 1 27 VAL -2.33 -1.82 1 28 LYS 6.01 -1.09 1 29 ASP 1.01 -0.96 1 30 LYS -3.41 -1.23 1 31 VAL -3.50 -3.52 1 33 HIS 3.01 4.24 1 34 LEU 5.26 2.78 1 35 GLU 2.68 1.07 1 38 LYS -4.95 -3.13 1 40 ALA 1.80 -0.56 1 41 ALA 0.19 0.37 1 43 GLN 5.47 -1.66 1 44 LYS 1.95 -0.76 1 45 HIS 0.81 0.49 1 46 PHE -2.22 0.22 1 47 SER -2.66 -1.25 1 48 VAL 4.42 1.32 1 50 ASP -0.35 -1.02 1 51 ARG -2.72 0.17 1 52 TYR -4.31 -5.47 1 53 LEU -5.14 -3.09 1 54 LEU -2.90 -1.48 1 55 ILE -1.33 -0.48 1 56 ASN 5.22 -0.86 1 57 SER 0.64 -0.49 1 58 ASP -1.37 -3.09 1 59 ILE -0.84 -1.57 1 60 VAL -4.46 -0.81 1 62 GLU 2.64 1.46 1 63 GLN 3.90 1.02 1 64 ASP -1.05 0.29 1 65 ILE 4.69 1.02 1 66 TYR 5.54 2.14 1 67 GLU 2.75 2.15 1 68 TRP 2.53 2.89 1 69 THR 3.27 1.73 1 70 LYS 3.66 1.64 1 71 ILE 1.59 0.42 1 72 ASN 0.45 0.41 1 84 ASP -1.25 -1.33 1 85 VAL 1.80 -0.64 1 86 MET -3.66 -2.89 1 87 VAL -3.05 1.50 1 88 VAL 4.03 0.55 1 90 GLU 0.27 0.50 1 92 THR -4.74 -0.13 1 93 LEU -0.12 1.18 1 94 MET 2.19 1.31 1 97 GLU -0.49 -0.33 1 98 PHE 0.10 0.38 1 100 ASP 0.55 0.61 1 101 GLU 0.95 0.40 1 102 ASP 0.05 0.38 1 103 GLU 0.80 0.41 1 104 ARG 1.43 0.43 1 105 LEU 0.74 -0.15 1 106 ILE 0.61 0.42 1 107 THR 0.71 -0.21 1 108 ARG 0.36 -0.10 1 109 LEU 0.35 -0.04 1 110 GLU -0.14 -0.25 1 111 ASN 0.37 0.33 1 112 THR 0.40 -0.15 1 113 GLN 0.35 -0.35 1 114 PHE 0.11 -0.42 1 115 ASP -0.21 -0.44 1 116 ALA 0.20 -0.07 1 117 ALA 0.30 -0.06 1 118 ASN -0.01 0.54 1 120 ILE -0.06 -0.42 1 121 ASP -0.01 -0.47 1 122 ASP -0.01 -0.96 1 123 GLU 0.26 4.67 1 stop_ save_