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 bmr5148_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -5.94
_LACS_plot.Line_1_terminator_val_y_1 -2.96
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.37
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -2.34
_LACS_plot.Line_2_terminator_val_x_2 7.65
_LACS_plot.Line_2_terminator_val_y_2 4.64
_LACS_plot.Y_axis_chem_shift_offset 0.96
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
28 ILE 5.33 0.44 0
29 THR 7.66 5.22 0
10 VAL -2.82 -2.53 1
11 THR -1.57 -1.10 1
12 GLU 2.66 1.83 1
13 ASP 0.13 -1.48 1
15 GLU -0.20 -1.03 1
16 SER -2.01 -1.36 1
17 LEU -2.23 -1.51 1
18 ARG -3.24 -1.92 1
19 PHE -0.56 -2.37 1
20 GLU -3.25 -1.90 1
22 ARG -0.64 0.44 1
23 SER 2.44 2.37 1
24 ASP -0.37 -1.98 1
25 GLU -5.68 -2.39 1
26 ASP -4.78 -3.48 1
27 VAL 6.64 4.33 1
30 ALA 2.52 2.45 1
31 ALA 6.07 2.95 1
32 LEU 3.81 2.32 1
33 ARG 4.73 1.69 1
34 GLN -1.01 -0.62 1
35 ASN 3.47 0.98 1
36 ILE -0.35 -1.84 1
37 PHE 1.40 -0.89 1
38 LEU -1.20 -2.17 1
39 MET 2.58 1.11 1
51 LYS 1.35 0.20 1
52 ALA -4.60 -1.90 1
53 LEU -2.96 -1.27 1
55 SER 0.80 0.48 1
56 GLU -2.96 -0.16 1
58 ASP -4.13 -1.86 1
59 TYR -4.38 -2.72 1
60 ASP -3.63 -1.36 1
61 LEU -2.04 -2.04 1
62 LYS -1.83 -1.50 1
65 SER -0.92 -1.24 1
66 VAL 3.55 1.41 1
67 GLN 3.51 1.48 1
68 ALA -2.34 0.60 1
69 LEU -0.55 -2.05 1
72 GLU 5.17 2.45 1
73 GLU 3.14 1.58 1
74 GLU 3.04 1.96 1
75 GLU 2.54 1.46 1
76 GLU -0.07 -0.90 1
78 LEU 1.91 -0.27 1
79 VAL -4.97 -4.21 1
83 ARG -4.67 -3.41 1
84 THR 2.81 0.86 1
85 TYR -2.08 -2.54 1
87 LYS -0.96 -0.87 1
88 THR -5.94 -2.37 1
89 ASP 3.12 1.75 1
90 LEU -4.87 -1.97 1
91 GLU -2.15 -1.77 1
92 ILE -5.94 -4.04 1
93 GLU -2.26 -2.37 1
94 LEU -0.85 -2.35 1
96 TYR -1.79 -2.31 1
97 THR -0.78 -0.67 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5148_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -5.94
_LACS_plot.Line_1_terminator_val_y_1 2.98
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -2.37
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.34
_LACS_plot.Line_2_terminator_val_x_2 7.65
_LACS_plot.Line_2_terminator_val_y_2 -3.01
_LACS_plot.Y_axis_chem_shift_offset 0.96
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
28 ILE 5.33 -4.89 0
29 THR 7.66 -2.44 0
10 VAL -2.82 0.29 1
11 THR -1.57 0.47 1
12 GLU 2.66 -0.83 1
13 ASP 0.13 -1.61 1
15 GLU -0.20 -0.83 1
16 SER -2.01 0.65 1
17 LEU -2.23 0.72 1
18 ARG -3.24 1.32 1
19 PHE -0.56 -1.81 1
20 GLU -3.25 1.35 1
22 ARG -0.64 1.08 1
23 SER 2.44 -0.07 1
24 ASP -0.37 -1.61 1
25 GLU -5.68 3.29 1
26 ASP -4.78 1.30 1
27 VAL 6.64 -2.31 1
30 ALA 2.52 -0.07 1
31 ALA 6.07 -3.12 1
32 LEU 3.81 -1.49 1
33 ARG 4.73 -3.04 1
34 GLN -1.01 0.39 1
35 ASN 3.47 -2.49 1
36 ILE -0.35 -1.49 1
37 PHE 1.40 -2.29 1
38 LEU -1.20 -0.97 1
39 MET 2.58 -1.47 1
51 LYS 1.35 -1.15 1
52 ALA -4.60 2.70 1
53 LEU -2.96 1.69 1
55 SER 0.80 -0.32 1
56 GLU -2.96 2.80 1
58 ASP -4.13 2.27 1
59 TYR -4.38 1.66 1
60 ASP -3.63 2.27 1
61 LEU -2.04 0.00 1
62 LYS -1.83 0.33 1
65 SER -0.92 -0.32 1
66 VAL 3.55 -2.14 1
67 GLN 3.51 -2.03 1
68 ALA -2.34 2.94 1
69 LEU -0.55 -1.50 1
72 GLU 5.17 -2.72 1
73 GLU 3.14 -1.56 1
74 GLU 3.04 -1.08 1
75 GLU 2.54 -1.08 1
76 GLU -0.07 -0.83 1
78 LEU 1.91 -2.18 1
79 VAL -4.97 0.76 1
83 ARG -4.67 1.26 1
84 THR 2.81 -1.95 1
85 TYR -2.08 -0.46 1
87 LYS -0.96 0.09 1
88 THR -5.94 3.57 1
89 ASP 3.12 -1.37 1
90 LEU -4.87 2.90 1
91 GLU -2.15 0.38 1
92 ILE -5.94 1.90 1
93 GLU -2.26 -0.11 1
94 LEU -0.85 -1.50 1
96 TYR -1.79 -0.52 1
97 THR -0.78 0.11 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5148_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -5.94
_LACS_plot.Line_1_terminator_val_y_1 0.45
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.18
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.15
_LACS_plot.Line_2_terminator_val_x_2 7.65
_LACS_plot.Line_2_terminator_val_y_2 -0.68
_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
88 THR -5.94 -0.30 0
18 ARG -3.24 1.35 0
31 ALA 6.07 -1.50 0
10 VAL -2.82 1.00 1
11 THR -1.57 0.16 1
12 GLU 2.66 -0.35 1
13 ASP 0.13 -0.06 1
15 GLU -0.20 -0.12 1
16 SER -2.01 0.70 1
17 LEU -2.23 0.31 1
19 PHE -0.56 0.13 1
20 GLU -3.25 0.54 1
22 ARG -0.64 0.38 1
23 SER 2.44 0.09 1
24 ASP -0.37 0.06 1
25 GLU -5.68 0.35 1
26 ASP -4.78 -0.01 1
27 VAL 6.64 -0.72 1
28 ILE 5.33 -0.48 1
29 THR 7.66 -0.83 1
30 ALA 2.52 -0.35 1
32 LEU 3.81 -0.63 1
33 ARG 4.73 -0.05 1
34 GLN -1.01 -0.06 1
35 ASN 3.47 -0.81 1
36 ILE -0.35 -0.35 1
37 PHE 1.40 -0.34 1
38 LEU -1.20 -0.10 1
39 MET 2.58 -0.33 1
51 LYS 1.35 -0.15 1
52 ALA -4.60 0.23 1
53 LEU -2.96 0.20 1
55 SER 0.80 -0.24 1
56 GLU -2.96 0.07 1
58 ASP -4.13 0.18 1
59 TYR -4.38 0.34 1
60 ASP -3.63 0.41 1
61 LEU -2.04 1.16 1
62 LYS -1.83 0.48 1
65 SER -0.92 -0.05 1
66 VAL 3.55 -0.25 1
67 GLN 3.51 -0.42 1
68 ALA -2.34 -0.40 1
69 LEU -0.55 0.13 1
72 GLU 5.17 -0.31 1
73 GLU 3.14 -0.28 1
74 GLU 3.04 -0.17 1
75 GLU 2.54 -0.30 1
76 GLU -0.07 -0.07 1
78 LEU 1.91 0.45 1
79 VAL -4.97 0.20 1
84 THR 2.81 -0.02 1
85 TYR -2.08 0.21 1
87 LYS -0.96 -0.13 1
89 ASP 3.12 0.12 1
90 LEU -4.87 0.88 1
91 GLU -2.15 -0.50 1
92 ILE -5.94 0.88 1
93 GLU -2.26 0.43 1
94 LEU -0.85 -0.17 1
96 TYR -1.79 0.23 1
97 THR -0.78 0.07 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5148_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -5.94
_LACS_plot.Line_1_terminator_val_y_1 -2.30
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.00
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.16
_LACS_plot.Line_2_terminator_val_x_2 7.65
_LACS_plot.Line_2_terminator_val_y_2 1.45
_LACS_plot.Y_axis_chem_shift_offset 0.60
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
31 ALA 6.07 -2.85 0
10 VAL -2.82 0.78 1
11 THR -1.57 2.81 1
12 GLU 2.66 0.00 1
13 ASP 0.13 0.30 1
15 GLU -0.20 -0.35 1
16 SER -2.01 -0.79 1
18 ARG -3.24 -0.83 1
19 PHE -0.56 -3.46 1
20 GLU -3.25 0.00 1
22 ARG -0.64 1.73 1
23 SER 2.44 -0.18 1
24 ASP -0.37 -1.53 1
25 GLU -5.68 -5.13 1
26 ASP -4.78 -0.09 1
27 VAL 6.64 -0.05 1
28 ILE 5.33 1.24 1
29 THR 7.66 2.68 1
30 ALA 2.52 2.11 1
32 LEU 3.81 -0.71 1
33 ARG 4.73 0.91 1
34 GLN -1.01 -2.49 1
35 ASN 3.47 -2.30 1
36 ILE -0.35 -2.02 1
37 PHE 1.40 -0.68 1
38 LEU -1.20 -1.09 1
51 LYS 1.35 -0.81 1
52 ALA -4.60 -4.55 1
53 LEU -2.96 -2.09 1
55 SER 0.80 0.22 1
56 GLU -2.96 -2.26 1
58 ASP -4.13 -1.96 1
59 TYR -4.38 -3.04 1
60 ASP -3.63 -1.31 1
61 LEU -2.04 0.09 1
62 LYS -1.83 -0.61 1
65 SER -0.92 1.65 1
66 VAL 3.55 0.58 1
68 ALA -2.34 -1.68 1
72 GLU 5.17 2.56 1
73 GLU 3.14 2.09 1
75 GLU 2.54 0.61 1
76 GLU -0.07 -0.61 1
78 LEU 1.91 -1.22 1
84 THR 2.81 -2.45 1
87 LYS -0.96 -1.78 1
88 THR -5.94 -2.54 1
89 ASP 3.12 0.08 1
91 GLU -2.15 -1.61 1
92 ILE -5.94 -1.84 1
93 GLU -2.26 -0.57 1
96 TYR -1.79 -0.65 1
stop_
save_