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 bmr11516_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.30 _LACS_plot.Line_1_terminator_val_y_1 -2.27 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.60 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.47 _LACS_plot.Line_2_terminator_val_x_2 8.74 _LACS_plot.Line_2_terminator_val_y_2 6.78 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 78 TRP -6.60 1.46 0 10 THR -5.78 -2.10 1 12 LYS -4.70 -2.14 1 13 ILE -5.42 -1.19 1 14 THR -2.53 -0.91 1 15 LEU -5.70 -1.01 1 16 LYS -3.66 -0.83 1 17 GLU -5.87 -1.67 1 18 THR -0.03 0.29 1 19 PHE -5.74 -1.44 1 20 LEU 2.53 -1.13 1 21 THR 1.17 -1.38 1 22 SER -1.22 -0.38 1 24 GLU 4.09 3.21 1 25 GLU 2.87 2.16 1 26 LEU 2.92 2.11 1 27 TYR 4.93 4.32 1 28 ARG 4.38 3.75 1 29 VAL 5.84 3.99 1 30 PHE 1.41 3.84 1 31 THR -1.02 -1.10 1 32 THR -0.10 -0.15 1 33 GLN 6.02 5.75 1 34 GLU 4.27 3.65 1 35 LEU 3.82 2.02 1 36 VAL 3.79 2.57 1 37 GLN 3.88 2.77 1 38 ALA 4.10 2.72 1 39 PHE 2.30 0.86 1 40 THR -1.32 0.05 1 41 HIS 3.99 1.24 1 42 ALA -2.08 -0.17 1 44 ALA -5.08 -1.08 1 45 THR -2.51 -1.13 1 46 LEU -2.33 1.30 1 47 GLU -2.67 -1.58 1 48 ALA 0.60 -1.69 1 49 ASP -4.74 -2.01 1 50 ARG 4.59 3.23 1 53 LYS -2.63 -1.10 1 54 PHE -5.69 -2.23 1 55 HIS -2.94 1.75 1 56 MET -6.36 -0.66 1 57 VAL 3.86 0.29 1 58 ASP 2.36 1.16 1 60 ASN 1.88 2.71 1 61 VAL -3.87 -1.82 1 62 SER -3.64 -1.28 1 64 GLU -7.30 -2.71 1 65 PHE 1.30 1.49 1 66 THR 2.01 1.15 1 67 ASP -1.90 1.20 1 68 LEU -1.99 0.02 1 69 VAL -0.80 -0.35 1 71 GLU 4.38 2.65 1 72 LYS -0.62 1.86 1 73 HIS -3.73 1.24 1 74 ILE -5.10 -0.04 1 75 VAL -1.03 -0.79 1 76 MET -5.14 -0.97 1 77 LYS -0.99 -0.61 1 79 ARG -2.46 -0.47 1 80 PHE -4.03 -2.51 1 81 LYS 2.62 2.57 1 82 SER 0.99 0.63 1 83 TRP 0.60 -1.00 1 85 GLU 2.52 1.99 1 87 HIS -2.13 2.55 1 88 PHE -3.20 -0.45 1 89 ALA -3.69 -1.08 1 90 THR 0.70 0.81 1 91 ILE -3.57 -2.14 1 92 THR -1.16 -0.51 1 93 LEU -3.68 -2.40 1 94 THR -0.88 0.04 1 95 PHE -1.46 -1.00 1 96 ILE -1.59 -0.70 1 97 ASP 0.23 0.93 1 98 LYS -0.37 -1.60 1 99 ASN 3.72 1.53 1 101 GLU -5.19 -2.26 1 102 THR -0.66 1.03 1 103 GLU -4.02 -1.20 1 104 LEU -5.13 -2.32 1 106 MET -3.28 -1.27 1 107 GLU -4.51 -1.65 1 109 ARG -3.70 -1.48 1 111 ILE 0.36 0.86 1 113 ALA 8.74 6.72 1 115 GLU -1.52 -1.64 1 116 GLU 5.35 5.22 1 117 GLU 4.14 3.08 1 118 ARG 3.82 3.56 1 119 THR 8.58 6.72 1 120 ARG 5.57 5.21 1 121 GLN 4.16 3.01 1 124 GLN 4.63 4.03 1 125 ARG 2.54 2.85 1 126 TYR 2.89 1.64 1 127 TYR 1.16 1.19 1 128 PHE 5.39 2.31 1 129 GLU 3.46 2.93 1 131 ILE 6.04 5.42 1 132 LYS 6.78 6.52 1 133 GLN 3.10 2.51 1 134 THR 5.92 4.98 1 135 PHE 0.95 -0.49 1 137 TYR -4.33 -4.37 1 139 ALA -0.80 -0.16 1 140 SER -0.25 0.05 1 143 SER 0.09 0.10 1 144 SER -0.19 0.10 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11516_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.30 _LACS_plot.Line_1_terminator_val_y_1 5.03 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.40 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.53 _LACS_plot.Line_2_terminator_val_x_2 8.74 _LACS_plot.Line_2_terminator_val_y_2 -1.96 _LACS_plot.Y_axis_chem_shift_offset -0.02 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 78 TRP -6.60 8.06 0 10 THR -5.78 3.68 1 12 LYS -4.70 2.56 1 13 ILE -5.42 4.23 1 14 THR -2.53 1.62 1 15 LEU -5.70 4.69 1 16 LYS -3.66 2.83 1 17 GLU -5.87 4.20 1 18 THR -0.03 0.32 1 19 PHE -5.74 4.30 1 20 LEU 2.53 -3.66 1 21 THR 1.17 -2.55 1 22 SER -1.22 0.84 1 24 GLU 4.09 -0.88 1 25 GLU 2.87 -0.71 1 26 LEU 2.92 -0.81 1 27 TYR 4.93 -0.61 1 28 ARG 4.38 -0.63 1 29 VAL 5.84 -1.85 1 30 PHE 1.41 2.43 1 31 THR -1.02 -0.08 1 32 THR -0.10 -0.05 1 33 GLN 6.02 -0.27 1 34 GLU 4.27 -0.62 1 35 LEU 3.82 -1.80 1 36 VAL 3.79 -1.22 1 37 GLN 3.88 -1.11 1 38 ALA 4.10 -1.38 1 39 PHE 2.30 -1.44 1 40 THR -1.32 1.37 1 41 HIS 3.99 -2.75 1 42 ALA -2.08 1.91 1 44 ALA -5.08 4.00 1 45 THR -2.51 1.38 1 46 LEU -2.33 3.63 1 47 GLU -2.67 1.09 1 48 ALA 0.60 -2.29 1 49 ASP -4.74 2.73 1 50 ARG 4.59 -1.36 1 53 LYS -2.63 1.53 1 54 PHE -5.69 3.46 1 55 HIS -2.94 4.69 1 56 MET -6.36 5.70 1 57 VAL 3.86 -3.57 1 58 ASP 2.36 -1.20 1 60 ASN 1.88 0.83 1 61 VAL -3.87 2.05 1 62 SER -3.64 2.36 1 64 GLU -7.30 4.59 1 65 PHE 1.30 0.19 1 66 THR 2.01 -0.86 1 67 ASP -1.90 3.10 1 68 LEU -1.99 2.01 1 69 VAL -0.80 0.45 1 71 GLU 4.38 -1.73 1 72 LYS -0.62 2.48 1 73 HIS -3.73 4.97 1 74 ILE -5.10 5.06 1 75 VAL -1.03 0.24 1 76 MET -5.14 4.17 1 77 LYS -0.99 0.38 1 79 ARG -2.46 1.99 1 80 PHE -4.03 1.52 1 81 LYS 2.62 -0.05 1 82 SER 0.99 -0.36 1 83 TRP 0.60 -1.60 1 85 GLU 2.52 -0.53 1 87 HIS -2.13 4.68 1 88 PHE -3.20 2.75 1 89 ALA -3.69 2.61 1 90 THR 0.70 0.11 1 91 ILE -3.57 1.43 1 92 THR -1.16 0.65 1 93 LEU -3.68 1.28 1 94 THR -0.88 0.92 1 95 PHE -1.46 0.46 1 96 ILE -1.59 0.89 1 97 ASP 0.23 0.70 1 98 LYS -0.37 -1.23 1 99 ASN 3.72 -2.19 1 101 GLU -5.19 2.93 1 102 THR -0.66 1.69 1 103 GLU -4.02 2.82 1 104 LEU -5.13 2.81 1 106 MET -3.28 2.01 1 107 GLU -4.51 2.86 1 109 ARG -3.70 2.22 1 111 ILE 0.36 0.50 1 113 ALA 8.74 -2.02 1 115 GLU -1.52 -0.12 1 116 GLU 5.35 -0.13 1 117 GLU 4.14 -1.06 1 118 ARG 3.82 -0.26 1 119 THR 8.58 -1.86 1 120 ARG 5.57 -0.36 1 121 GLN 4.16 -1.15 1 124 GLN 4.63 -0.60 1 125 ARG 2.54 0.31 1 126 TYR 2.89 -1.25 1 127 TYR 1.16 0.03 1 128 PHE 5.39 -3.08 1 129 GLU 3.46 -0.53 1 131 ILE 6.04 -0.62 1 132 LYS 6.78 -0.26 1 133 GLN 3.10 -0.59 1 134 THR 5.92 -0.94 1 135 PHE 0.95 -1.44 1 137 TYR -4.33 -0.04 1 139 ALA -0.80 0.64 1 140 SER -0.25 0.30 1 143 SER 0.09 0.01 1 144 SER -0.19 0.29 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11516_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.30 _LACS_plot.Line_1_terminator_val_y_1 0.88 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.14 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.31 _LACS_plot.Line_2_terminator_val_x_2 8.74 _LACS_plot.Line_2_terminator_val_y_2 -0.85 _LACS_plot.Y_axis_chem_shift_offset -0.09 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 GLU 4.38 -1.75 0 10 THR -5.78 0.83 1 12 LYS -4.70 1.11 1 13 ILE -5.42 0.44 1 14 THR -2.53 0.93 1 15 LEU -5.70 0.49 1 16 LYS -3.66 1.14 1 17 GLU -5.87 0.10 1 18 THR -0.03 0.77 1 19 PHE -5.74 0.21 1 20 LEU 2.53 0.27 1 21 THR 1.17 -0.12 1 22 SER -1.22 -0.07 1 24 GLU 4.09 -0.69 1 25 GLU 2.87 -0.41 1 26 LEU 2.92 -0.45 1 27 TYR 4.93 -1.05 1 28 ARG 4.38 -0.66 1 29 VAL 5.84 -0.48 1 30 PHE 1.41 -0.53 1 31 THR -1.02 -0.14 1 32 THR -0.10 0.30 1 33 GLN 6.02 -0.75 1 34 GLU 4.27 -0.35 1 35 LEU 3.82 0.20 1 36 VAL 3.79 -0.77 1 37 GLN 3.88 -0.19 1 38 ALA 4.10 -0.28 1 39 PHE 2.30 0.28 1 40 THR -1.32 0.02 1 41 HIS 3.99 -0.61 1 42 ALA -2.08 0.16 1 44 ALA -5.08 0.69 1 45 THR -2.51 0.24 1 46 LEU -2.33 0.70 1 47 GLU -2.67 0.25 1 48 ALA 0.60 -0.18 1 49 ASP -4.74 0.06 1 50 ARG 4.59 -0.57 1 53 LYS -2.63 0.60 1 54 PHE -5.69 0.94 1 55 HIS -2.94 0.18 1 56 MET -6.36 0.42 1 57 VAL 3.86 -1.15 1 58 ASP 2.36 -0.49 1 60 ASN 1.88 -0.26 1 61 VAL -3.87 0.07 1 62 SER -3.64 0.16 1 64 GLU -7.30 0.81 1 65 PHE 1.30 0.34 1 66 THR 2.01 0.37 1 67 ASP -1.90 0.27 1 68 LEU -1.99 0.57 1 69 VAL -0.80 0.01 1 72 LYS -0.62 0.58 1 73 HIS -3.73 1.24 1 74 ILE -5.10 0.58 1 75 VAL -1.03 1.09 1 76 MET -5.14 1.15 1 77 LYS -0.99 1.16 1 78 TRP -6.60 0.65 1 79 ARG -2.46 -0.14 1 80 PHE -4.03 0.35 1 81 LYS 2.62 -0.38 1 82 SER 0.99 -0.21 1 83 TRP 0.60 0.04 1 85 GLU 2.52 -0.44 1 87 HIS -2.13 -0.24 1 88 PHE -3.20 0.44 1 89 ALA -3.69 0.78 1 90 THR 0.70 0.89 1 91 ILE -3.57 0.80 1 92 THR -1.16 0.78 1 93 LEU -3.68 0.62 1 94 THR -0.88 0.57 1 95 PHE -1.46 -0.02 1 96 ILE -1.59 0.22 1 97 ASP 0.23 -0.11 1 98 LYS -0.37 0.26 1 99 ASN 3.72 -0.38 1 101 GLU -5.19 0.60 1 102 THR -0.66 0.73 1 103 GLU -4.02 0.47 1 104 LEU -5.13 0.51 1 106 MET -3.28 0.44 1 107 GLU -4.51 0.71 1 109 ARG -3.70 0.72 1 111 ILE 0.36 -0.59 1 113 ALA 8.74 -0.44 1 115 GLU -1.52 0.20 1 116 GLU 5.35 -0.85 1 117 GLU 4.14 -0.21 1 118 ARG 3.82 -0.28 1 119 THR 8.58 0.08 1 120 ARG 5.57 -0.57 1 121 GLN 4.16 -0.18 1 124 GLN 4.63 -0.39 1 125 ARG 2.54 -0.11 1 126 TYR 2.89 -0.09 1 127 TYR 1.16 0.13 1 128 PHE 5.39 0.04 1 129 GLU 3.46 -0.18 1 131 ILE 6.04 -0.77 1 132 LYS 6.78 -0.54 1 133 GLN 3.10 -0.22 1 134 THR 5.92 -0.58 1 135 PHE 0.95 -0.05 1 137 TYR -4.33 0.68 1 139 ALA -0.80 0.09 1 140 SER -0.25 0.03 1 143 SER 0.09 0.03 1 144 SER -0.19 0.02 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr11516_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.30 _LACS_plot.Line_1_terminator_val_y_1 -2.47 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.39 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.89 _LACS_plot.Line_2_terminator_val_x_2 8.74 _LACS_plot.Line_2_terminator_val_y_2 2.36 _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 71 GLU 4.38 -3.46 0 10 THR -5.78 -1.08 1 12 LYS -4.70 -0.23 1 14 THR -2.53 -1.24 1 15 LEU -5.70 -2.72 1 16 LYS -3.66 -1.62 1 17 GLU -5.87 -2.79 1 18 THR -0.03 -1.33 1 19 PHE -5.74 -0.60 1 20 LEU 2.53 -3.12 1 21 THR 1.17 -1.77 1 22 SER -1.22 0.59 1 24 GLU 4.09 1.79 1 25 GLU 2.87 2.18 1 26 LEU 2.92 0.51 1 27 TYR 4.93 2.70 1 28 ARG 4.38 3.01 1 29 VAL 5.84 -1.46 1 30 PHE 1.41 1.40 1 31 THR -1.02 -2.17 1 32 THR -0.10 0.18 1 33 GLN 6.02 0.86 1 34 GLU 4.27 2.49 1 35 LEU 3.82 0.42 1 36 VAL 3.79 4.27 1 37 GLN 3.88 2.02 1 38 ALA 4.10 1.63 1 39 PHE 2.30 0.81 1 40 THR -1.32 -0.10 1 41 HIS 3.99 -1.11 1 42 ALA -2.08 -2.89 1 44 ALA -5.08 -1.84 1 45 THR -2.51 -1.29 1 46 LEU -2.33 -3.51 1 47 GLU -2.67 -1.91 1 48 ALA 0.60 -3.11 1 49 ASP -4.74 -0.46 1 50 ARG 4.59 1.33 1 53 LYS -2.63 0.72 1 54 PHE -5.69 -2.13 1 55 HIS -2.94 -0.03 1 56 MET -6.36 -1.54 1 57 VAL 3.86 0.12 1 58 ASP 2.36 -0.64 1 60 ASN 1.88 -1.12 1 61 VAL -3.87 -2.42 1 62 SER -3.64 -3.57 1 64 GLU -7.30 -0.90 1 65 PHE 1.30 0.48 1 66 THR 2.01 0.33 1 67 ASP -1.90 -2.16 1 68 LEU -1.99 -2.38 1 69 VAL -0.80 -2.06 1 72 LYS -0.62 0.15 1 73 HIS -3.73 -0.63 1 74 ILE -5.10 -2.37 1 75 VAL -1.03 -0.33 1 76 MET -5.14 -0.94 1 77 LYS -0.99 0.56 1 78 TRP -6.60 -1.89 1 79 ARG -2.46 -2.68 1 80 PHE -4.03 2.23 1 81 LYS 2.62 -0.14 1 82 SER 0.99 0.92 1 83 TRP 0.60 -1.05 1 85 GLU 2.52 1.22 1 87 HIS -2.13 0.48 1 88 PHE -3.20 -0.01 1 89 ALA -3.69 -0.03 1 90 THR 0.70 -0.37 1 91 ILE -3.57 -2.23 1 92 THR -1.16 -0.94 1 93 LEU -3.68 -2.44 1 94 THR -0.88 -2.14 1 95 PHE -1.46 -1.14 1 96 ILE -1.59 -1.24 1 97 ASP 0.23 -0.26 1 98 LYS -0.37 -0.30 1 99 ASN 3.72 -0.73 1 101 GLU -5.19 -1.18 1 102 THR -0.66 -0.99 1 103 GLU -4.02 -3.37 1 104 LEU -5.13 -2.88 1 106 MET -3.28 -2.53 1 107 GLU -4.51 -1.55 1 109 ARG -3.70 -0.63 1 111 ILE 0.36 -0.96 1 113 ALA 8.74 0.95 1 115 GLU -1.52 0.38 1 116 GLU 5.35 0.24 1 117 GLU 4.14 2.21 1 118 ARG 3.82 4.26 1 119 THR 8.58 1.01 1 120 ARG 5.57 1.86 1 121 GLN 4.16 2.98 1 124 GLN 4.63 0.96 1 125 ARG 2.54 2.15 1 126 TYR 2.89 0.98 1 128 PHE 5.39 1.70 1 129 GLU 3.46 3.03 1 131 ILE 6.04 1.50 1 132 LYS 6.78 2.88 1 133 GLN 3.10 2.43 1 134 THR 5.92 0.61 1 135 PHE 0.95 -0.28 1 137 TYR -4.33 0.26 1 139 ALA -0.80 0.03 1 140 SER -0.25 0.09 1 143 SER 0.09 0.15 1 144 SER -0.19 -0.62 1 stop_ save_