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 bmr15707_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -7.12 _LACS_plot.Line_1_terminator_val_y_1 -2.37 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.53 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.33 _LACS_plot.Line_2_terminator_val_x_2 6.16 _LACS_plot.Line_2_terminator_val_y_2 4.35 _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 83 PHE -0.49 -2.32 0 69 TYR -5.64 -0.05 0 26 GLN 4.59 0.26 0 10 ASP 0.01 0.14 1 11 GLU -0.78 -0.24 1 12 HIS -0.11 0.95 1 13 LYS -1.21 -0.58 1 14 GLN -0.79 -1.09 1 15 GLN -3.21 -1.19 1 17 GLU -1.82 -0.72 1 18 LEU -6.87 -1.31 1 19 TYR -2.88 -1.15 1 20 MET -5.24 -0.79 1 21 TRP -1.33 -1.25 1 22 ASP -2.83 -2.18 1 23 SER 1.93 1.43 1 24 ILE 4.56 2.16 1 25 ASP 0.42 0.11 1 27 LYS -4.77 -2.04 1 28 TRP -2.69 -1.54 1 29 THR -1.43 -1.49 1 30 ARG -2.54 -0.05 1 31 HIS -4.14 0.19 1 32 TYR 0.88 1.42 1 34 ALA -4.77 -0.73 1 35 ILE -1.94 -1.00 1 36 ALA -2.73 -0.47 1 37 ASP 2.94 1.62 1 38 ALA 1.99 0.54 1 39 LYS -3.34 -1.62 1 40 LEU -4.43 -1.11 1 41 SER -3.39 -1.48 1 42 PHE -7.12 -3.36 1 43 SER -3.07 -0.08 1 44 ASP -0.02 0.61 1 45 ASP -0.28 -0.05 1 46 ILE 1.35 1.26 1 47 GLU 0.65 0.65 1 48 GLN 0.15 0.13 1 49 THR 0.39 0.33 1 50 MET 0.25 0.20 1 51 GLU -0.28 0.08 1 53 ASP 0.18 0.12 1 54 ASN -0.60 -0.18 1 56 LEU 1.06 0.44 1 58 SER 0.03 0.02 1 59 LEU 0.14 0.12 1 61 ARG 0.14 0.00 1 63 ILE -3.94 -0.78 1 64 LEU -3.43 -2.04 1 65 ASP 0.22 -0.57 1 66 LEU 4.14 2.75 1 67 ASN 2.99 2.55 1 68 THR 0.01 -0.36 1 70 ASN -3.90 -0.74 1 71 VAL -5.20 -3.12 1 72 VAL -5.44 -1.87 1 73 LYS -0.75 -0.40 1 74 ALA -0.54 -0.96 1 76 GLN -0.06 -0.53 1 78 LYS -2.26 0.54 1 79 ASN 3.01 1.46 1 80 GLN 5.17 2.28 1 81 LYS -2.29 -2.01 1 82 SER 3.52 2.68 1 84 VAL -6.77 -2.02 1 85 PHE -4.16 -2.34 1 86 ILE -4.35 -0.78 1 87 LEU -0.58 -2.32 1 88 GLU -3.83 -1.52 1 90 LYS 2.17 2.20 1 91 GLN -1.21 -1.40 1 92 GLN 2.68 1.75 1 94 ASP 1.18 0.46 1 97 VAL -1.57 -0.49 1 98 GLU -1.86 -0.93 1 99 PHE -6.32 -1.90 1 100 ALA -6.95 -2.65 1 101 THR -3.02 -2.73 1 102 ASP 1.34 2.78 1 103 ARG -4.93 -1.92 1 104 VAL 4.44 2.42 1 105 GLU 5.93 4.00 1 106 GLU 1.14 1.90 1 107 LEU 6.17 3.83 1 108 PHE 4.86 3.47 1 109 GLU 3.04 3.06 1 110 TRP 4.91 4.58 1 111 PHE 4.18 4.48 1 112 GLN 4.34 2.92 1 113 SER 4.90 3.76 1 114 ILE 4.66 4.26 1 115 ARG 4.46 2.69 1 116 GLU 2.57 2.17 1 117 ILE 2.08 2.34 1 118 THR 1.16 1.69 1 119 TRP 0.07 -0.04 1 120 LYS 0.03 -0.15 1 121 ILE 0.11 0.02 1 122 ASP -0.26 -0.04 1 123 THR -0.02 -0.08 1 124 LYS 1.15 1.57 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15707_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -7.12 _LACS_plot.Line_1_terminator_val_y_1 4.75 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.46 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.67 _LACS_plot.Line_2_terminator_val_x_2 6.16 _LACS_plot.Line_2_terminator_val_y_2 -1.81 _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 83 PHE -0.49 -1.83 0 69 TYR -5.64 5.59 0 26 GLN 4.59 -4.33 0 10 ASP 0.01 0.13 1 11 GLU -0.78 0.54 1 12 HIS -0.11 1.06 1 13 LYS -1.21 0.63 1 14 GLN -0.79 -0.30 1 15 GLN -3.21 2.02 1 17 GLU -1.82 1.10 1 18 LEU -6.87 5.56 1 19 TYR -2.88 1.73 1 20 MET -5.24 4.45 1 21 TRP -1.33 0.08 1 22 ASP -2.83 0.65 1 23 SER 1.93 -0.50 1 24 ILE 4.56 -2.40 1 25 ASP 0.42 -0.31 1 27 LYS -4.77 2.73 1 28 TRP -2.69 1.15 1 29 THR -1.43 -0.06 1 30 ARG -2.54 2.49 1 31 HIS -4.14 4.33 1 32 TYR 0.88 0.54 1 34 ALA -4.77 4.04 1 35 ILE -1.94 0.94 1 36 ALA -2.73 2.26 1 37 ASP 2.94 -1.32 1 38 ALA 1.99 -1.45 1 39 LYS -3.34 1.72 1 40 LEU -4.43 3.32 1 41 SER -3.39 1.91 1 42 PHE -7.12 3.76 1 43 SER -3.07 2.99 1 44 ASP -0.02 0.63 1 45 ASP -0.28 0.23 1 46 ILE 1.35 -0.09 1 47 GLU 0.65 0.00 1 48 GLN 0.15 -0.02 1 49 THR 0.39 -0.06 1 50 MET 0.25 -0.05 1 51 GLU -0.28 0.36 1 53 ASP 0.18 -0.06 1 54 ASN -0.60 0.42 1 56 LEU 1.06 -0.62 1 58 SER 0.03 -0.01 1 59 LEU 0.14 -0.02 1 61 ARG 0.14 -0.14 1 63 ILE -3.94 3.16 1 64 LEU -3.43 1.39 1 65 ASP 0.22 -0.79 1 66 LEU 4.14 -1.39 1 67 ASN 2.99 -0.44 1 68 THR 0.01 -0.37 1 70 ASN -3.90 3.16 1 71 VAL -5.20 2.08 1 72 VAL -5.44 3.57 1 73 LYS -0.75 0.35 1 74 ALA -0.54 -0.42 1 76 GLN -0.06 -0.47 1 78 LYS -2.26 2.80 1 79 ASN 3.01 -1.55 1 80 GLN 5.17 -2.89 1 81 LYS -2.29 0.28 1 82 SER 3.52 -0.84 1 84 VAL -6.77 4.75 1 85 PHE -4.16 1.82 1 86 ILE -4.35 3.57 1 87 LEU -0.58 -1.74 1 88 GLU -3.83 2.31 1 90 LYS 2.17 0.03 1 91 GLN -1.21 -0.19 1 92 GLN 2.68 -0.93 1 94 ASP 1.18 -0.72 1 97 VAL -1.57 1.08 1 98 GLU -1.86 0.93 1 99 PHE -6.32 4.42 1 100 ALA -6.95 4.30 1 101 THR -3.02 0.29 1 102 ASP 1.34 1.44 1 103 ARG -4.93 3.01 1 104 VAL 4.44 -2.02 1 105 GLU 5.93 -1.93 1 106 GLU 1.14 0.76 1 107 LEU 6.17 -2.34 1 108 PHE 4.86 -1.39 1 109 GLU 3.04 0.02 1 110 TRP 4.91 -0.33 1 111 PHE 4.18 0.30 1 112 GLN 4.34 -1.42 1 113 SER 4.90 -1.14 1 114 ILE 4.66 -0.40 1 115 ARG 4.46 -1.77 1 116 GLU 2.57 -0.40 1 117 ILE 2.08 0.26 1 118 THR 1.16 0.53 1 119 TRP 0.07 -0.11 1 120 LYS 0.03 -0.18 1 121 ILE 0.11 -0.09 1 122 ASP -0.26 0.22 1 123 THR -0.02 -0.06 1 124 LYS 1.15 0.42 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15707_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -7.12 _LACS_plot.Line_1_terminator_val_y_1 1.11 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -0.24 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.32 _LACS_plot.Line_2_terminator_val_x_2 6.16 _LACS_plot.Line_2_terminator_val_y_2 -0.78 _LACS_plot.Y_axis_chem_shift_offset -0.05 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 71 VAL -5.20 1.65 0 18 LEU -6.87 0.31 0 26 GLN 4.59 -1.51 0 10 ASP 0.01 -0.08 1 11 GLU -0.78 -0.13 1 12 HIS -0.11 -0.11 1 13 LYS -1.21 0.04 1 14 GLN -0.79 -0.30 1 15 GLN -3.21 1.12 1 17 GLU -1.82 0.87 1 19 TYR -2.88 1.29 1 20 MET -5.24 0.73 1 21 TRP -1.33 -0.58 1 22 ASP -2.83 -0.22 1 23 SER 1.93 -0.75 1 24 ILE 4.56 -0.32 1 25 ASP 0.42 -0.15 1 27 LYS -4.77 0.07 1 28 TRP -2.69 0.72 1 29 THR -1.43 0.50 1 30 ARG -2.54 0.45 1 31 HIS -4.14 -0.09 1 32 TYR 0.88 0.20 1 34 ALA -4.77 0.97 1 35 ILE -1.94 1.11 1 36 ALA -2.73 0.26 1 37 ASP 2.94 -0.41 1 38 ALA 1.99 -0.41 1 39 LYS -3.34 0.93 1 40 LEU -4.43 1.01 1 41 SER -3.39 1.02 1 42 PHE -7.12 1.27 1 43 SER -3.07 0.45 1 44 ASP -0.02 0.27 1 45 ASP -0.28 -0.37 1 46 ILE 1.35 -0.09 1 47 GLU 0.65 -0.09 1 48 GLN 0.15 0.03 1 49 THR 0.39 -0.02 1 50 MET 0.25 0.03 1 51 GLU -0.28 -0.08 1 53 ASP 0.18 -0.11 1 54 ASN -0.60 -0.08 1 56 LEU 1.06 -0.07 1 58 SER 0.03 -0.01 1 59 LEU 0.14 0.04 1 61 ARG 0.14 0.00 1 63 ILE -3.94 0.67 1 64 LEU -3.43 0.58 1 65 ASP 0.22 0.18 1 66 LEU 4.14 -0.13 1 67 ASN 2.99 -0.02 1 68 THR 0.01 0.16 1 69 TYR -5.64 0.65 1 70 ASN -3.90 0.42 1 72 VAL -5.44 0.69 1 73 LYS -0.75 0.33 1 74 ALA -0.54 0.23 1 76 GLN -0.06 0.22 1 78 LYS -2.26 -0.13 1 79 ASN 3.01 -0.64 1 80 GLN 5.17 -0.69 1 81 LYS -2.29 0.01 1 82 SER 3.52 -0.62 1 83 PHE -0.49 0.30 1 84 VAL -6.77 1.23 1 85 PHE -4.16 0.89 1 86 ILE -4.35 0.67 1 87 LEU -0.58 0.90 1 88 GLU -3.83 0.36 1 90 LYS 2.17 -0.28 1 91 GLN -1.21 0.08 1 92 GLN 2.68 -0.28 1 94 ASP 1.18 0.13 1 97 VAL -1.57 0.02 1 98 GLU -1.86 0.43 1 99 PHE -6.32 1.15 1 100 ALA -6.95 1.35 1 101 THR -3.02 0.88 1 102 ASP 1.34 0.37 1 103 ARG -4.93 0.43 1 104 VAL 4.44 -1.26 1 105 GLU 5.93 -0.36 1 106 GLU 1.14 0.02 1 107 LEU 6.17 -0.30 1 108 PHE 4.86 -0.42 1 109 GLU 3.04 -0.40 1 110 TRP 4.91 -1.03 1 111 PHE 4.18 -1.18 1 112 GLN 4.34 -0.65 1 113 SER 4.90 -0.43 1 114 ILE 4.66 -0.61 1 115 ARG 4.46 -0.46 1 116 GLU 2.57 -0.39 1 117 ILE 2.08 -0.26 1 118 THR 1.16 0.02 1 119 TRP 0.07 0.13 1 120 LYS 0.03 -0.12 1 121 ILE 0.11 -0.13 1 122 ASP -0.26 0.04 1 123 THR -0.02 -0.04 1 124 LYS 1.15 -0.17 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr15707_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -7.12 _LACS_plot.Line_1_terminator_val_y_1 -1.87 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 0.43 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.72 _LACS_plot.Line_2_terminator_val_x_2 6.16 _LACS_plot.Line_2_terminator_val_y_2 1.71 _LACS_plot.Y_axis_chem_shift_offset 0.10 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 105 GLU 5.93 3.38 0 85 PHE -4.16 -4.19 0 38 ALA 1.99 -2.93 0 103 ARG -4.93 1.70 0 26 GLN 4.59 -2.12 0 10 ASP 0.01 -0.18 1 12 HIS -0.11 0.88 1 13 LYS -1.21 -1.27 1 14 GLN -0.79 -2.57 1 15 GLN -3.21 -1.74 1 17 GLU -1.82 -0.04 1 18 LEU -6.87 -0.75 1 19 TYR -2.88 0.14 1 20 MET -5.24 -0.95 1 21 TRP -1.33 -1.35 1 22 ASP -2.83 -0.49 1 23 SER 1.93 0.55 1 24 ILE 4.56 1.22 1 25 ASP 0.42 -0.81 1 27 LYS -4.77 -3.09 1 28 TRP -2.69 1.31 1 29 THR -1.43 -1.18 1 30 ARG -2.54 -1.85 1 31 HIS -4.14 -0.15 1 32 TYR 0.88 0.40 1 34 ALA -4.77 -1.58 1 35 ILE -1.94 -0.63 1 37 ASP 2.94 -1.72 1 39 LYS -3.34 -1.40 1 40 LEU -4.43 -2.22 1 41 SER -3.39 -1.16 1 42 PHE -7.12 -0.60 1 43 SER -3.07 0.44 1 44 ASP -0.02 -0.34 1 45 ASP -0.28 1.59 1 46 ILE 1.35 0.94 1 47 GLU 0.65 0.56 1 48 GLN 0.15 0.28 1 49 THR 0.39 0.08 1 50 MET 0.25 0.15 1 51 GLU -0.28 0.18 1 53 ASP 0.18 -0.65 1 56 LEU 1.06 0.58 1 58 SER 0.03 0.18 1 61 ARG 0.14 -0.20 1 63 ILE -3.94 -0.95 1 64 LEU -3.43 -1.46 1 65 ASP 0.22 1.63 1 66 LEU 4.14 -0.43 1 67 ASN 2.99 1.38 1 68 THR 0.01 -1.83 1 69 TYR -5.64 -1.62 1 70 ASN -3.90 -0.86 1 71 VAL -5.20 -3.04 1 72 VAL -5.44 -1.25 1 73 LYS -0.75 -0.36 1 76 GLN -0.06 0.43 1 78 LYS -2.26 -1.30 1 79 ASN 3.01 -0.10 1 80 GLN 5.17 -0.67 1 81 LYS -2.29 -0.36 1 82 SER 3.52 -0.56 1 83 PHE -0.49 -3.11 1 84 VAL -6.77 -0.48 1 86 ILE -4.35 -0.84 1 87 LEU -0.58 -2.45 1 90 LYS 2.17 0.78 1 91 GLN -1.21 -0.96 1 92 GLN 2.68 1.08 1 97 VAL -1.57 -2.28 1 98 GLU -1.86 -2.79 1 99 PHE -6.32 -1.15 1 100 ALA -6.95 -1.31 1 101 THR -3.02 0.09 1 102 ASP 1.34 1.43 1 104 VAL 4.44 -0.14 1 106 GLU 1.14 1.71 1 107 LEU 6.17 0.39 1 108 PHE 4.86 2.27 1 109 GLU 3.04 3.26 1 110 TRP 4.91 1.59 1 111 PHE 4.18 0.75 1 112 GLN 4.34 2.50 1 113 SER 4.90 1.83 1 114 ILE 4.66 2.19 1 115 ARG 4.46 1.62 1 116 GLU 2.57 1.58 1 117 ILE 2.08 1.33 1 118 THR 1.16 1.35 1 119 TRP 0.07 -0.25 1 120 LYS 0.03 -0.44 1 121 ILE 0.11 -0.45 1 122 ASP -0.26 -0.02 1 123 THR -0.02 -0.87 1 stop_ save_