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 bmr34216_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.22 _LACS_plot.Line_1_terminator_val_y_1 -2.91 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.82 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.29 _LACS_plot.Line_2_terminator_val_x_2 7.20 _LACS_plot.Line_2_terminator_val_y_2 5.42 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 82 LEU -8.22 -2.13 0 107 TRP 4.24 5.72 0 10 VAL 7.21 5.54 1 11 MET 4.38 3.07 1 12 GLN 5.37 3.77 1 13 TYR 5.15 4.15 1 14 ARG 4.37 3.97 1 15 ARG 4.55 3.93 1 16 ALA 2.38 2.17 1 17 LEU -1.16 -0.28 1 18 THR 2.24 1.42 1 19 LYS -6.98 -1.98 1 20 VAL 2.09 0.82 1 21 VAL -6.57 -3.31 1 22 LYS -0.39 -0.43 1 23 LEU -4.93 -1.70 1 24 LYS -4.17 -1.24 1 25 THR -3.26 -2.33 1 26 HIS 2.48 3.18 1 27 LEU -0.26 0.30 1 28 PHE -2.26 -0.40 1 29 SER -1.51 -1.51 1 30 GLU -6.20 -1.64 1 31 THR 3.40 2.42 1 32 VAL -7.26 -3.73 1 33 LYS -1.92 -0.87 1 34 VAL -4.97 -2.71 1 35 THR 1.29 -0.83 1 37 SER -0.37 0.25 1 38 LYS 4.56 3.62 1 39 ASP -1.86 -1.73 1 41 GLU 1.06 1.37 1 42 GLU -5.37 -1.56 1 43 VAL 1.97 0.52 1 44 GLN -6.30 -1.98 1 45 TRP -4.31 -1.95 1 46 PHE -3.45 -0.82 1 47 LYS -0.48 0.52 1 52 ALA 0.28 0.22 1 54 ALA 0.41 0.42 1 55 GLN 0.95 0.52 1 56 ASP 0.56 0.62 1 57 ARG 0.97 0.28 1 58 LYS -0.02 0.15 1 59 LYS -0.79 -0.48 1 61 SER 2.17 1.65 1 64 PHE -1.17 -1.08 1 66 VAL 4.09 3.35 1 67 ASP 1.84 0.77 1 68 LYS -1.63 -2.48 1 69 ILE 2.24 2.48 1 70 THR -0.13 0.02 1 71 SER -0.28 0.39 1 72 VAL -1.55 -0.08 1 73 LYS -4.78 -1.18 1 74 SER -1.21 -0.81 1 75 GLN -0.22 0.29 1 76 ALA 3.04 2.54 1 77 ASP 0.27 -0.62 1 78 ASN 0.99 0.26 1 79 THR 2.23 1.71 1 80 LYS 2.75 1.76 1 81 VAL -1.90 -0.59 1 83 VAL -0.38 -0.31 1 84 ILE -3.11 -0.88 1 85 THR -0.04 -0.11 1 86 VAL -5.31 -2.18 1 87 ASN -0.16 -1.35 1 88 ASN -0.99 0.52 1 90 GLN 1.45 0.23 1 92 THR -1.26 0.75 1 93 THR -0.76 -0.04 1 94 TYR -2.64 -0.41 1 95 ASN -2.44 -0.91 1 96 PHE -3.88 -1.48 1 97 THR 2.75 2.17 1 98 PHE -2.04 -0.15 1 99 LYS 2.22 2.22 1 100 SER -2.10 -0.93 1 103 GLU 1.91 2.87 1 104 ARG 7.01 3.47 1 105 GLU 2.99 3.12 1 106 SER 3.90 3.24 1 108 GLN 4.71 4.02 1 109 GLU 3.43 2.74 1 110 GLN 4.44 2.77 1 111 ILE 2.89 0.12 1 112 GLN 3.38 3.02 1 113 SER 4.41 3.17 1 114 LEU 4.68 3.08 1 115 MET 2.70 4.32 1 116 LYS 4.12 3.27 1 117 PHE 3.22 3.52 1 118 MET 2.42 -0.38 1 119 SER 1.04 1.26 1 120 MET 0.94 0.37 1 121 LYS 0.93 1.54 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34216_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.22 _LACS_plot.Line_1_terminator_val_y_1 5.31 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.18 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.71 _LACS_plot.Line_2_terminator_val_x_2 7.20 _LACS_plot.Line_2_terminator_val_y_2 -1.78 _LACS_plot.Y_axis_chem_shift_offset -0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 82 LEU -8.22 6.09 0 107 TRP 4.24 1.48 0 10 VAL 7.21 -1.67 1 11 MET 4.38 -1.31 1 12 GLN 5.37 -1.60 1 13 TYR 5.15 -1.00 1 14 ARG 4.37 -0.40 1 15 ARG 4.55 -0.62 1 16 ALA 2.38 -0.21 1 17 LEU -1.16 0.88 1 18 THR 2.24 -0.82 1 19 LYS -6.98 5.00 1 20 VAL 2.09 -1.27 1 21 VAL -6.57 3.26 1 22 LYS -0.39 -0.04 1 23 LEU -4.93 3.23 1 24 LYS -4.17 2.93 1 25 THR -3.26 0.93 1 26 HIS 2.48 0.70 1 27 LEU -0.26 0.56 1 28 PHE -2.26 1.86 1 29 SER -1.51 0.00 1 30 GLU -6.20 4.56 1 31 THR 3.40 -0.98 1 32 VAL -7.26 3.53 1 33 LYS -1.92 1.05 1 34 VAL -4.97 2.26 1 35 THR 1.29 -2.12 1 37 SER -0.37 0.62 1 38 LYS 4.56 -0.94 1 39 ASP -1.86 0.13 1 41 GLU 1.06 0.31 1 42 GLU -5.37 3.81 1 43 VAL 1.97 -1.45 1 44 GLN -6.30 4.32 1 45 TRP -4.31 2.36 1 46 PHE -3.45 2.63 1 47 LYS -0.48 1.00 1 52 ALA 0.28 -0.06 1 54 ALA 0.41 0.01 1 55 GLN 0.95 -0.43 1 56 ASP 0.56 0.06 1 57 ARG 0.97 -0.69 1 58 LYS -0.02 0.17 1 59 LYS -0.79 0.31 1 61 SER 2.17 -0.52 1 64 PHE -1.17 0.09 1 66 VAL 4.09 -0.74 1 67 ASP 1.84 -1.07 1 68 LYS -1.63 -0.85 1 69 ILE 2.24 0.24 1 70 THR -0.13 0.15 1 71 SER -0.28 0.67 1 72 VAL -1.55 1.47 1 73 LYS -4.78 3.60 1 74 SER -1.21 0.40 1 75 GLN -0.22 0.51 1 76 ALA 3.04 -0.50 1 77 ASP 0.27 -0.89 1 78 ASN 0.99 -0.73 1 79 THR 2.23 -0.52 1 80 LYS 2.75 -0.99 1 81 VAL -1.90 1.31 1 83 VAL -0.38 0.07 1 84 ILE -3.11 2.23 1 85 THR -0.04 -0.07 1 86 VAL -5.31 3.13 1 87 ASN -0.16 -1.19 1 88 ASN -0.99 1.51 1 90 GLN 1.45 -1.22 1 92 THR -1.26 2.01 1 93 THR -0.76 0.72 1 94 TYR -2.64 2.23 1 95 ASN -2.44 1.53 1 96 PHE -3.88 2.40 1 97 THR 2.75 -0.58 1 98 PHE -2.04 1.89 1 99 LYS 2.22 0.00 1 100 SER -2.10 1.17 1 103 GLU 1.91 0.96 1 104 ARG 7.01 -3.54 1 105 GLU 2.99 0.13 1 106 SER 3.90 -0.66 1 108 GLN 4.71 -0.69 1 109 GLU 3.43 -0.69 1 110 GLN 4.44 -1.67 1 111 ILE 2.89 -2.77 1 112 GLN 3.38 -0.36 1 113 SER 4.41 -1.24 1 114 LEU 4.68 -1.60 1 115 MET 2.70 1.62 1 116 LYS 4.12 -0.85 1 117 PHE 3.22 0.30 1 118 MET 2.42 -2.80 1 119 SER 1.04 0.22 1 120 MET 0.94 -0.57 1 121 LYS 0.93 0.61 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34216_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -8.22 _LACS_plot.Line_1_terminator_val_y_1 0.77 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.11 _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 7.20 _LACS_plot.Line_2_terminator_val_y_2 -0.60 _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 18 THR 2.24 1.52 0 104 ARG 7.01 -2.11 0 10 VAL 7.21 -0.43 1 11 MET 4.38 -0.29 1 12 GLN 5.37 -0.31 1 13 TYR 5.15 -0.30 1 14 ARG 4.37 -0.26 1 15 ARG 4.55 -0.25 1 16 ALA 2.38 -0.12 1 17 LEU -1.16 0.01 1 19 LYS -6.98 0.57 1 20 VAL 2.09 0.78 1 21 VAL -6.57 0.39 1 22 LYS -0.39 0.40 1 23 LEU -4.93 0.42 1 24 LYS -4.17 0.85 1 25 THR -3.26 0.15 1 26 HIS 2.48 0.56 1 27 LEU -0.26 -0.13 1 28 PHE -2.26 0.19 1 29 SER -1.51 0.85 1 30 GLU -6.20 0.37 1 31 THR 3.40 0.46 1 32 VAL -7.26 0.93 1 33 LYS -1.92 0.81 1 34 VAL -4.97 1.47 1 35 THR 1.29 0.18 1 37 SER -0.37 -0.26 1 38 LYS 4.56 -0.52 1 39 ASP -1.86 -0.03 1 41 GLU 1.06 -0.29 1 42 GLU -5.37 0.68 1 43 VAL 1.97 0.02 1 44 GLN -6.30 0.48 1 45 TRP -4.31 1.42 1 46 PHE -3.45 0.16 1 47 LYS -0.48 0.29 1 52 ALA 0.28 -0.07 1 54 ALA 0.41 -0.04 1 55 GLN 0.95 -0.18 1 56 ASP 0.56 -0.15 1 57 ARG 0.97 -0.03 1 58 LYS -0.02 0.00 1 59 LYS -0.79 0.04 1 61 SER 2.17 -0.21 1 64 PHE -1.17 0.32 1 66 VAL 4.09 -0.42 1 67 ASP 1.84 -0.25 1 68 LYS -1.63 0.33 1 69 ILE 2.24 -0.10 1 70 THR -0.13 0.13 1 71 SER -0.28 0.16 1 72 VAL -1.55 0.48 1 73 LYS -4.78 0.52 1 74 SER -1.21 0.41 1 75 GLN -0.22 0.04 1 76 ALA 3.04 -0.32 1 77 ASP 0.27 -0.09 1 78 ASN 0.99 0.07 1 79 THR 2.23 0.03 1 80 LYS 2.75 -0.13 1 81 VAL -1.90 1.10 1 82 LEU -8.22 0.53 1 83 VAL -0.38 0.74 1 84 ILE -3.11 0.97 1 85 THR -0.04 0.83 1 86 VAL -5.31 0.53 1 87 ASN -0.16 0.13 1 88 ASN -0.99 0.29 1 90 GLN 1.45 0.04 1 92 THR -1.26 0.07 1 93 THR -0.76 0.60 1 94 TYR -2.64 -0.30 1 95 ASN -2.44 0.61 1 96 PHE -3.88 0.37 1 97 THR 2.75 0.37 1 98 PHE -2.04 -0.05 1 99 LYS 2.22 -0.21 1 100 SER -2.10 0.18 1 103 GLU 1.91 -0.22 1 105 GLU 2.99 -0.53 1 106 SER 3.90 -0.19 1 107 TRP 4.24 -0.71 1 108 GLN 4.71 -0.52 1 109 GLU 3.43 -0.33 1 110 GLN 4.44 -0.29 1 111 ILE 2.89 -0.33 1 112 GLN 3.38 0.17 1 113 SER 4.41 -0.19 1 114 LEU 4.68 -0.95 1 115 MET 2.70 -0.94 1 116 LYS 4.12 -0.30 1 117 PHE 3.22 -0.32 1 118 MET 2.42 -0.09 1 119 SER 1.04 -0.07 1 120 MET 0.94 -0.06 1 121 LYS 0.93 -0.27 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34216_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.22 _LACS_plot.Line_1_terminator_val_y_1 -3.52 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.74 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.00 _LACS_plot.Line_2_terminator_val_x_2 7.20 _LACS_plot.Line_2_terminator_val_y_2 2.84 _LACS_plot.Y_axis_chem_shift_offset 0.13 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 121 LYS 0.93 4.62 0 10 VAL 7.21 1.39 1 11 MET 4.38 2.60 1 12 GLN 5.37 3.41 1 13 TYR 5.15 1.48 1 14 ARG 4.37 3.08 1 15 ARG 4.55 2.60 1 16 ALA 2.38 1.74 1 17 LEU -1.16 0.33 1 18 THR 2.24 0.38 1 19 LYS -6.98 -2.62 1 20 VAL 2.09 -0.29 1 21 VAL -6.57 -2.69 1 22 LYS -0.39 -1.92 1 23 LEU -4.93 -4.18 1 24 LYS -4.17 -1.09 1 25 THR -3.26 -1.09 1 26 HIS 2.48 1.52 1 27 LEU -0.26 -1.09 1 28 PHE -2.26 -2.69 1 29 SER -1.51 -0.79 1 30 GLU -6.20 -1.62 1 31 THR 3.40 -0.22 1 32 VAL -7.26 -3.15 1 33 LYS -1.92 -0.43 1 34 VAL -4.97 -3.77 1 35 THR 1.29 -1.09 1 37 SER -0.37 1.50 1 38 LYS 4.56 -1.42 1 39 ASP -1.86 0.46 1 41 GLU 1.06 1.67 1 42 GLU -5.37 -0.43 1 43 VAL 1.97 -1.98 1 44 GLN -6.30 -1.72 1 45 TRP -4.31 -2.03 1 46 PHE -3.45 -0.16 1 47 LYS -0.48 0.09 1 52 ALA 0.28 0.47 1 54 ALA 0.41 0.42 1 55 GLN 0.95 -0.09 1 56 ASP 0.56 0.08 1 57 ARG 0.97 -0.13 1 58 LYS -0.02 -0.39 1 59 LYS -0.79 -0.99 1 61 SER 2.17 -0.90 1 64 PHE -1.17 -2.43 1 66 VAL 4.09 1.70 1 67 ASP 1.84 0.70 1 68 LYS -1.63 -0.31 1 69 ILE 2.24 0.83 1 70 THR -0.13 0.65 1 71 SER -0.28 -2.49 1 72 VAL -1.55 -1.92 1 73 LYS -4.78 -1.52 1 74 SER -1.21 -0.51 1 75 GLN -0.22 1.21 1 76 ALA 3.04 0.53 1 77 ASP 0.27 -0.26 1 78 ASN 0.99 0.29 1 79 THR 2.23 1.26 1 80 LYS 2.75 -1.32 1 81 VAL -1.90 -1.53 1 82 LEU -8.22 -3.62 1 83 VAL -0.38 0.39 1 84 ILE -3.11 -1.18 1 85 THR -0.04 -1.46 1 86 VAL -5.31 -1.68 1 87 ASN -0.16 -1.88 1 88 ASN -0.99 -0.32 1 90 GLN 1.45 1.64 1 92 THR -1.26 -2.19 1 93 THR -0.76 -1.42 1 94 TYR -2.64 -2.68 1 95 ASN -2.44 -1.37 1 96 PHE -3.88 -1.32 1 97 THR 2.75 -0.08 1 98 PHE -2.04 -0.08 1 99 LYS 2.22 -0.13 1 100 SER -2.10 -0.77 1 103 GLU 1.91 1.39 1 104 ARG 7.01 1.63 1 105 GLU 2.99 2.47 1 106 SER 3.90 1.36 1 107 TRP 4.24 2.19 1 108 GLN 4.71 1.91 1 109 GLU 3.43 3.39 1 110 GLN 4.44 2.25 1 111 ILE 2.89 0.52 1 112 GLN 3.38 3.05 1 113 SER 4.41 2.46 1 114 LEU 4.68 0.62 1 115 MET 2.70 2.86 1 116 LYS 4.12 2.62 1 117 PHE 3.22 2.73 1 118 MET 2.42 1.65 1 119 SER 1.04 -0.19 1 120 MET 0.94 -1.43 1 stop_ save_