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 bmr34155_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.90 _LACS_plot.Line_1_terminator_val_y_1 -2.88 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.97 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.21 _LACS_plot.Line_2_terminator_val_x_2 7.54 _LACS_plot.Line_2_terminator_val_y_2 5.79 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 68 SER -2.08 -3.02 0 112 PHE 3.31 0.30 0 65 ASP -1.45 -2.77 0 89 ALA -6.90 -2.01 0 10 SER -3.72 -1.52 1 11 ARG 5.16 4.02 1 12 ARG 4.03 2.94 1 13 GLU 2.86 2.73 1 14 LEU 3.16 3.00 1 15 GLU 2.92 2.79 1 16 LYS 2.37 1.75 1 18 ARG -1.16 0.16 1 19 ILE 0.60 0.44 1 20 SER -2.54 -0.69 1 21 ARG 4.67 3.06 1 22 GLU 4.91 3.66 1 23 GLU 2.49 2.47 1 24 MET 5.08 4.63 1 25 GLU 1.49 1.45 1 26 THR -0.29 0.42 1 27 LEU -1.82 -0.40 1 28 SER 5.38 3.93 1 29 VAL 3.45 1.82 1 30 PHE 1.45 2.08 1 31 ARG 3.47 2.45 1 32 SER 1.64 -0.10 1 33 TYR 2.03 2.55 1 34 GLU -3.84 -1.18 1 37 GLU -1.04 -0.48 1 39 ASN -3.87 -1.30 1 41 ARG -3.00 -1.47 1 42 ILE -3.68 -1.54 1 43 TYR -6.57 -3.73 1 44 VAL -3.84 -2.27 1 45 LYS -4.79 -2.33 1 46 ASN -0.55 0.83 1 47 LEU -1.30 -1.17 1 48 ALA -1.82 -0.92 1 49 LYS 3.76 2.68 1 50 HIS -0.48 0.57 1 51 VAL 4.00 2.89 1 52 GLN -5.80 -2.08 1 53 GLU 7.55 6.18 1 54 LYS 4.81 3.10 1 55 ASP 2.32 3.32 1 56 LEU 2.16 1.73 1 57 LYS 5.30 4.57 1 58 TYR 3.73 3.34 1 59 ILE 0.73 1.67 1 60 PHE 5.32 4.25 1 62 ARG 2.99 1.51 1 63 TYR 0.25 -0.30 1 64 VAL -3.00 -1.19 1 66 PHE 5.04 3.68 1 67 SER 1.89 1.57 1 69 GLU 3.60 3.23 1 70 THR 4.33 3.30 1 71 GLN 6.34 4.43 1 72 ARG 4.40 4.13 1 73 ILE 2.75 2.04 1 74 MET 0.03 0.35 1 75 PHE -1.93 -2.27 1 76 ASP -4.60 -1.09 1 77 ILE -1.98 -0.29 1 78 ARG -2.45 -1.67 1 79 LEU -2.30 -0.82 1 80 MET 1.15 0.03 1 81 LYS -1.17 0.06 1 82 GLU -4.45 -1.66 1 84 ARG 3.16 2.36 1 85 MET -0.05 -0.76 1 86 LYS 1.85 1.35 1 88 GLN -4.29 -2.21 1 90 PHE -3.88 -1.16 1 91 ILE -3.25 -2.02 1 93 LEU -1.78 -0.97 1 95 ASN -1.14 -0.47 1 96 GLU 3.68 3.01 1 97 LYS 4.75 3.38 1 98 ALA 2.63 2.38 1 99 ALA 1.98 2.62 1 100 ALA 3.57 2.67 1 101 LYS 3.61 3.28 1 102 ALA 3.43 2.25 1 103 LEU 5.28 5.33 1 104 LYS 3.00 2.72 1 105 GLU 0.06 1.19 1 106 ALA -0.43 -0.12 1 107 ASN 3.40 3.46 1 109 TYR 2.44 2.20 1 110 VAL 3.98 1.38 1 111 LEU -4.31 -2.16 1 114 LYS -3.34 -1.22 1 116 MET -0.51 1.60 1 117 VAL -0.63 -1.30 1 118 VAL -1.84 -0.58 1 119 GLN -5.44 -1.47 1 120 PHE 1.91 2.32 1 121 ALA -1.05 -0.87 1 122 ARG 0.09 0.02 1 123 SER -0.42 -0.23 1 124 ALA -0.38 -0.23 1 125 ARG -0.14 -0.15 1 127 LYS 0.53 0.32 1 128 GLN -0.71 -0.35 1 129 ASP -0.31 0.12 1 131 LYS 1.22 0.55 1 132 GLU 0.05 0.24 1 134 LYS 0.01 -0.04 1 135 ARG 0.35 0.22 1 136 LYS 1.07 1.63 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34155_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.90 _LACS_plot.Line_1_terminator_val_y_1 4.02 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.02 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.79 _LACS_plot.Line_2_terminator_val_x_2 7.54 _LACS_plot.Line_2_terminator_val_y_2 -1.75 _LACS_plot.Y_axis_chem_shift_offset -0.18 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 68 SER -2.08 -0.94 0 112 PHE 3.31 -3.01 0 65 ASP -1.45 -1.32 0 89 ALA -6.90 4.89 0 10 SER -3.72 2.20 1 11 ARG 5.16 -1.14 1 12 ARG 4.03 -1.09 1 13 GLU 2.86 -0.13 1 14 LEU 3.16 -0.16 1 15 GLU 2.92 -0.13 1 16 LYS 2.37 -0.62 1 18 ARG -1.16 1.32 1 19 ILE 0.60 -0.16 1 20 SER -2.54 1.85 1 21 ARG 4.67 -1.61 1 22 GLU 4.91 -1.25 1 23 GLU 2.49 -0.02 1 24 MET 5.08 -0.45 1 25 GLU 1.49 -0.04 1 26 THR -0.29 0.71 1 27 LEU -1.82 1.42 1 28 SER 5.38 -1.45 1 29 VAL 3.45 -1.63 1 30 PHE 1.45 0.63 1 31 ARG 3.47 -1.02 1 32 SER 1.64 -1.74 1 33 TYR 2.03 0.52 1 34 GLU -3.84 2.66 1 37 GLU -1.04 0.56 1 39 ASN -3.87 2.57 1 41 ARG -3.00 1.53 1 42 ILE -3.68 2.14 1 43 TYR -6.57 2.84 1 44 VAL -3.84 1.57 1 45 LYS -4.79 2.46 1 46 ASN -0.55 1.38 1 47 LEU -1.30 0.13 1 48 ALA -1.82 0.90 1 49 LYS 3.76 -1.08 1 50 HIS -0.48 1.05 1 51 VAL 4.00 -1.11 1 52 GLN -5.80 3.72 1 53 GLU 7.55 -1.37 1 54 LYS 4.81 -1.71 1 55 ASP 2.32 1.00 1 56 LEU 2.16 -0.43 1 57 LYS 5.30 -0.73 1 58 TYR 3.73 -0.39 1 59 ILE 0.73 0.94 1 60 PHE 5.32 -1.07 1 62 ARG 2.99 -1.48 1 63 TYR 0.25 -0.55 1 64 VAL -3.00 1.81 1 66 PHE 5.04 -1.36 1 67 SER 1.89 -0.32 1 69 GLU 3.60 -0.37 1 70 THR 4.33 -1.03 1 71 GLN 6.34 -1.91 1 72 ARG 4.40 -0.27 1 73 ILE 2.75 -0.71 1 74 MET 0.03 0.32 1 75 PHE -1.93 -0.34 1 76 ASP -4.60 3.51 1 77 ILE -1.98 1.69 1 78 ARG -2.45 0.78 1 79 LEU -2.30 1.48 1 80 MET 1.15 -1.12 1 81 LYS -1.17 1.23 1 82 GLU -4.45 2.79 1 84 ARG 3.16 -0.80 1 85 MET -0.05 -0.71 1 86 LYS 1.85 -0.50 1 88 GLN -4.29 2.08 1 90 PHE -3.88 2.72 1 91 ILE -3.25 1.23 1 93 LEU -1.78 0.81 1 95 ASN -1.14 0.67 1 96 GLU 3.68 -0.67 1 97 LYS 4.75 -1.37 1 98 ALA 2.63 -0.25 1 99 ALA 1.98 0.64 1 100 ALA 3.57 -0.90 1 101 LYS 3.61 -0.33 1 102 ALA 3.43 -1.18 1 103 LEU 5.28 0.05 1 104 LYS 3.00 -0.28 1 105 GLU 0.06 1.13 1 106 ALA -0.43 0.31 1 107 ASN 3.40 0.06 1 109 TYR 2.44 -0.24 1 110 VAL 3.98 -2.60 1 111 LEU -4.31 2.15 1 114 LYS -3.34 2.12 1 116 MET -0.51 2.11 1 117 VAL -0.63 -0.67 1 118 VAL -1.84 1.26 1 119 GLN -5.44 3.97 1 120 PHE 1.91 0.41 1 121 ALA -1.05 0.18 1 122 ARG 0.09 -0.07 1 123 SER -0.42 0.19 1 124 ALA -0.38 0.15 1 125 ARG -0.14 -0.01 1 127 LYS 0.53 -0.21 1 128 GLN -0.71 0.36 1 129 ASP -0.31 0.43 1 131 LYS 1.22 -0.67 1 132 GLU 0.05 0.19 1 134 LYS 0.01 -0.05 1 135 ARG 0.35 -0.13 1 136 LYS 1.07 0.56 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34155_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.90 _LACS_plot.Line_1_terminator_val_y_1 0.65 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.22 _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 7.54 _LACS_plot.Line_2_terminator_val_y_2 -0.70 _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 89 ALA -6.90 1.09 0 64 VAL -3.00 -0.51 0 10 SER -3.72 -0.01 1 11 ARG 5.16 -0.65 1 12 ARG 4.03 -0.32 1 13 GLU 2.86 -0.39 1 14 LEU 3.16 -0.32 1 15 GLU 2.92 -0.51 1 16 LYS 2.37 -0.17 1 18 ARG -1.16 0.35 1 19 ILE 0.60 0.09 1 20 SER -2.54 -0.13 1 21 ARG 4.67 -0.42 1 22 GLU 4.91 -0.43 1 23 GLU 2.49 -0.37 1 24 MET 5.08 -1.08 1 25 GLU 1.49 -0.30 1 26 THR -0.29 0.08 1 27 LEU -1.82 0.26 1 28 SER 5.38 -0.53 1 29 VAL 3.45 -0.12 1 30 PHE 1.45 -0.05 1 31 ARG 3.47 -0.16 1 32 SER 1.64 -0.18 1 33 TYR 2.03 -0.55 1 34 GLU -3.84 -0.13 1 37 GLU -1.04 -0.18 1 39 ASN -3.87 -0.08 1 41 ARG -3.00 0.90 1 42 ILE -3.68 0.87 1 43 TYR -6.57 0.79 1 44 VAL -3.84 0.86 1 45 LYS -4.79 0.61 1 46 ASN -0.55 -0.43 1 47 LEU -1.30 -0.06 1 48 ALA -1.82 -0.07 1 49 LYS 3.76 -0.28 1 50 HIS -0.48 -0.28 1 51 VAL 4.00 -0.47 1 52 GLN -5.80 0.39 1 53 GLU 7.55 -0.68 1 54 LYS 4.81 -0.20 1 55 ASP 2.32 -0.03 1 56 LEU 2.16 0.08 1 57 LYS 5.30 -0.22 1 58 TYR 3.73 -0.22 1 59 ILE 0.73 -0.69 1 60 PHE 5.32 -0.12 1 62 ARG 2.99 -0.39 1 63 TYR 0.25 -0.23 1 65 ASP -1.45 0.07 1 66 PHE 5.04 -0.68 1 67 SER 1.89 -0.08 1 68 SER -2.08 0.24 1 69 GLU 3.60 -0.43 1 70 THR 4.33 -0.39 1 71 GLN 6.34 -0.39 1 72 ARG 4.40 -0.59 1 73 ILE 2.75 -0.05 1 74 MET 0.03 -0.19 1 75 PHE -1.93 0.71 1 76 ASP -4.60 -0.06 1 77 ILE -1.98 0.18 1 78 ARG -2.45 0.35 1 79 LEU -2.30 0.27 1 80 MET 1.15 0.24 1 81 LYS -1.17 0.22 1 82 GLU -4.45 0.27 1 84 ARG 3.16 -0.22 1 85 MET -0.05 -0.03 1 86 LYS 1.85 -0.64 1 88 GLN -4.29 0.87 1 90 PHE -3.88 0.87 1 91 ILE -3.25 0.81 1 93 LEU -1.78 0.35 1 95 ASN -1.14 0.00 1 96 GLU 3.68 -0.44 1 97 LYS 4.75 -0.20 1 98 ALA 2.63 -0.10 1 99 ALA 1.98 -0.48 1 100 ALA 3.57 -0.21 1 101 LYS 3.61 -0.40 1 102 ALA 3.43 -0.94 1 103 LEU 5.28 -0.84 1 104 LYS 3.00 -0.40 1 105 GLU 0.06 -0.24 1 106 ALA -0.43 0.09 1 107 ASN 3.40 -0.22 1 109 TYR 2.44 -0.52 1 110 VAL 3.98 -0.52 1 111 LEU -4.31 0.09 1 112 PHE 3.31 -0.36 1 114 LYS -3.34 0.42 1 116 MET -0.51 -0.06 1 117 VAL -0.63 0.57 1 118 VAL -1.84 0.70 1 119 GLN -5.44 0.33 1 120 PHE 1.91 0.16 1 121 ALA -1.05 0.00 1 122 ARG 0.09 -0.06 1 123 SER -0.42 -0.14 1 124 ALA -0.38 -0.06 1 125 ARG -0.14 -0.14 1 127 LYS 0.53 -0.12 1 128 GLN -0.71 -0.05 1 129 ASP -0.31 -0.13 1 131 LYS 1.22 -0.13 1 132 GLU 0.05 -0.14 1 134 LYS 0.01 -0.02 1 135 ARG 0.35 -0.05 1 136 LYS 1.07 -0.22 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr34155_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.90 _LACS_plot.Line_1_terminator_val_y_1 -2.57 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.59 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.82 _LACS_plot.Line_2_terminator_val_x_2 7.54 _LACS_plot.Line_2_terminator_val_y_2 2.54 _LACS_plot.Y_axis_chem_shift_offset 0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 110 VAL 3.98 -3.98 0 10 SER -3.72 0.12 1 11 ARG 5.16 2.27 1 12 ARG 4.03 2.20 1 13 GLU 2.86 3.03 1 14 LEU 3.16 0.71 1 15 GLU 2.92 3.25 1 16 LYS 2.37 1.16 1 18 ARG -1.16 0.95 1 19 ILE 0.60 -1.59 1 20 SER -2.54 0.36 1 21 ARG 4.67 2.12 1 22 GLU 4.91 2.86 1 23 GLU 2.49 2.89 1 24 MET 5.08 0.86 1 25 GLU 1.49 0.65 1 26 THR -0.29 0.33 1 27 LEU -1.82 1.60 1 28 SER 5.38 3.33 1 29 VAL 3.45 -0.38 1 30 PHE 1.45 0.07 1 31 ARG 3.47 1.57 1 32 SER 1.64 -0.74 1 33 TYR 2.03 -0.78 1 34 GLU -3.84 -1.37 1 37 GLU -1.04 -0.84 1 39 ASN -3.87 -2.66 1 41 ARG -3.00 -0.85 1 42 ILE -3.68 -2.78 1 43 TYR -6.57 -2.66 1 44 VAL -3.84 -2.48 1 45 LYS -4.79 -1.71 1 46 ASN -0.55 0.46 1 47 LEU -1.30 0.40 1 48 ALA -1.82 0.90 1 49 LYS 3.76 0.34 1 51 VAL 4.00 -1.71 1 52 GLN -5.80 1.16 1 53 GLU 7.55 2.63 1 54 LYS 4.81 1.81 1 55 ASP 2.32 2.06 1 56 LEU 2.16 1.57 1 57 LYS 5.30 1.80 1 58 TYR 3.73 -0.55 1 59 ILE 0.73 -0.79 1 60 PHE 5.32 0.78 1 62 ARG 2.99 -0.58 1 63 TYR 0.25 -2.69 1 64 VAL -3.00 -3.31 1 65 ASP -1.45 0.19 1 66 PHE 5.04 0.46 1 67 SER 1.89 -0.75 1 68 SER -2.08 0.38 1 69 GLU 3.60 0.92 1 70 THR 4.33 1.64 1 71 GLN 6.34 1.93 1 72 ARG 4.40 2.65 1 73 ILE 2.75 0.72 1 74 MET 0.03 -1.17 1 75 PHE -1.93 -1.57 1 76 ASP -4.60 -2.80 1 77 ILE -1.98 -1.99 1 78 ARG -2.45 -2.38 1 79 LEU -2.30 -2.04 1 80 MET 1.15 0.03 1 81 LYS -1.17 -1.18 1 82 GLU -4.45 -0.95 1 84 ARG 3.16 1.46 1 85 MET -0.05 -2.79 1 86 LYS 1.85 0.79 1 88 GLN -4.29 -1.77 1 89 ALA -6.90 -2.70 1 90 PHE -3.88 -0.12 1 91 ILE -3.25 -1.64 1 93 LEU -1.78 1.48 1 95 ASN -1.14 -0.67 1 96 GLU 3.68 1.39 1 97 LYS 4.75 2.83 1 98 ALA 2.63 0.71 1 99 ALA 1.98 0.28 1 100 ALA 3.57 2.64 1 101 LYS 3.61 0.41 1 102 ALA 3.43 1.72 1 103 LEU 5.28 1.65 1 104 LYS 3.00 2.64 1 105 GLU 0.06 0.86 1 106 ALA -0.43 -0.16 1 107 ASN 3.40 1.20 1 109 TYR 2.44 -1.21 1 111 LEU -4.31 -1.66 1 112 PHE 3.31 0.08 1 114 LYS -3.34 -0.27 1 116 MET -0.51 -0.90 1 117 VAL -0.63 -0.49 1 118 VAL -1.84 -2.77 1 119 GLN -5.44 -1.36 1 120 PHE 1.91 0.65 1 121 ALA -1.05 -0.18 1 122 ARG 0.09 0.16 1 123 SER -0.42 -0.63 1 124 ALA -0.38 -0.53 1 125 ARG -0.14 -0.36 1 127 LYS 0.53 -0.15 1 128 GLN -0.71 -0.81 1 129 ASP -0.31 0.00 1 131 LYS 1.22 0.35 1 132 GLU 0.05 0.34 1 134 LYS 0.01 -0.12 1 135 ARG 0.35 -0.94 1 136 LYS 1.07 4.59 1 stop_ save_