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 bmr4478_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.80
_LACS_plot.Line_1_terminator_val_y_1 -5.17
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -2.31
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -4.00
_LACS_plot.Line_2_terminator_val_x_2 5.19
_LACS_plot.Line_2_terminator_val_y_2 0.52
_LACS_plot.Y_axis_chem_shift_offset 2.85
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
60 TYR 4.00 1.20 0
10 ALA -3.00 -3.80 1
11 THR -3.30 -3.50 1
13 VAL 1.50 -2.40 1
16 HIS 2.10 -0.70 1
19 LEU -4.20 -4.40 1
20 ALA -3.40 -4.70 1
21 SER 2.40 -1.00 1
23 GLN -0.80 -3.20 1
24 LEU -0.20 -2.00 1
25 ALA -4.00 -4.50 1
26 ALA -2.90 -4.10 1
27 PHE -6.80 -4.40 1
28 HIS -1.70 -1.80 1
29 ILE -1.70 -4.60 1
30 ALA -2.30 -4.40 1
31 ALA -2.80 -2.10 1
35 VAL 2.20 -1.40 1
36 THR 1.00 -2.30 1
37 ALA -1.60 -2.30 1
38 THR -4.60 -4.60 1
39 ARG -2.70 -3.60 1
40 TRP -3.10 -3.50 1
41 ASP -2.50 -5.40 1
42 PHE 5.20 0.30 1
44 ASP -2.40 -4.80 1
46 SER 0.20 -2.60 1
47 ALA 1.00 -2.40 1
48 GLU -3.50 -3.40 1
49 VAL 0.00 -4.50 1
50 ASP -4.00 -4.00 1
51 ALA 1.00 -1.80 1
52 ALA -5.30 -3.70 1
55 ALA -1.60 -3.30 1
56 ALA -4.40 -4.50 1
57 SER -2.50 -3.00 1
58 HIS 0.26 -3.90 1
59 ARG -1.15 -2.45 1
61 VAL -1.90 -4.50 1
65 ARG -3.90 -3.80 1
66 TYR -0.70 -3.10 1
67 HIS -1.90 -4.10 1
68 VAL -4.80 -5.10 1
69 THR -4.50 -5.60 1
70 ALA -2.00 -4.10 1
71 VAL -0.43 -3.10 1
73 ALA -2.50 -4.20 1
74 LEU 0.20 -2.90 1
76 ALA -2.50 -3.40 1
78 SER 0.40 -2.40 1
79 ALA -2.20 -3.30 1
80 LEU -5.70 -4.60 1
81 LEU -4.70 -4.50 1
83 THR -3.40 -3.70 1
84 ASP -5.20 -5.20 1
85 VAL -2.50 -3.80 1
86 GLN -1.90 -4.20 1
87 VAL -3.50 -5.10 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr4478_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.80
_LACS_plot.Line_1_terminator_val_y_1 1.63
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -4.31
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -2.00
_LACS_plot.Line_2_terminator_val_x_2 5.19
_LACS_plot.Line_2_terminator_val_y_2 -4.67
_LACS_plot.Y_axis_chem_shift_offset 2.85
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
60 TYR 4.00 -2.80 0
10 ALA -3.00 -0.80 1
11 THR -3.30 -0.20 1
13 VAL 1.50 -3.90 1
16 HIS 2.10 -2.80 1
19 LEU -4.20 -0.20 1
20 ALA -3.40 -1.30 1
21 SER 2.40 -3.40 1
23 GLN -0.80 -2.40 1
24 LEU -0.20 -1.80 1
25 ALA -4.00 -0.50 1
26 ALA -2.90 -1.20 1
27 PHE -6.80 2.40 1
28 HIS -1.70 -0.10 1
29 ILE -1.70 -2.90 1
30 ALA -2.30 -2.10 1
31 ALA -2.80 0.70 1
35 VAL 2.20 -3.60 1
36 THR 1.00 -3.30 1
37 ALA -1.60 -0.70 1
38 THR -4.60 0.00 1
39 ARG -2.70 -0.90 1
40 TRP -3.10 -0.40 1
41 ASP -2.50 -2.90 1
42 PHE 5.20 -4.90 1
44 ASP -2.40 -2.40 1
46 SER 0.20 -2.80 1
47 ALA 1.00 -3.40 1
48 GLU -3.50 0.10 1
49 VAL 0.00 -4.50 1
50 ASP -4.00 0.00 1
51 ALA 1.00 -2.80 1
52 ALA -5.30 1.60 1
55 ALA -1.60 -1.70 1
56 ALA -4.40 -0.10 1
57 SER -2.50 -0.50 1
58 HIS 0.26 -4.16 1
59 ARG -1.15 -1.30 1
61 VAL -1.90 -2.60 1
65 ARG -3.90 0.10 1
66 TYR -0.70 -2.40 1
67 HIS -1.90 -2.20 1
68 VAL -4.80 -0.30 1
69 THR -4.50 -1.10 1
70 ALA -2.00 -2.10 1
71 VAL -0.43 -2.67 1
73 ALA -2.50 -1.70 1
74 LEU 0.20 -3.10 1
76 ALA -2.50 -0.90 1
78 SER 0.40 -2.80 1
79 ALA -2.20 -1.10 1
80 LEU -5.70 1.10 1
81 LEU -4.70 0.20 1
83 THR -3.40 -0.30 1
84 ASP -5.20 0.00 1
85 VAL -2.50 -1.30 1
86 GLN -1.90 -2.30 1
87 VAL -3.50 -1.60 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr4478_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.80
_LACS_plot.Line_1_terminator_val_y_1 0.67
_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 0.23
_LACS_plot.Line_2_terminator_val_x_2 5.19
_LACS_plot.Line_2_terminator_val_y_2 -0.43
_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
83 THR -3.40 1.34 0
57 SER -2.50 -0.70 0
42 PHE 5.20 -0.51 0
10 ALA -3.00 0.65 1
11 THR -3.30 0.10 1
13 VAL 1.50 -0.06 1
16 HIS 2.10 -0.27 1
19 LEU -4.20 0.19 1
20 ALA -3.40 0.48 1
21 SER 2.40 -0.75 1
23 GLN -0.80 -0.14 1
24 LEU -0.20 -0.56 1
25 ALA -4.00 -0.02 1
26 ALA -2.90 0.22 1
27 PHE -6.80 0.65 1
28 HIS -1.70 0.99 1
29 ILE -1.70 0.55 1
30 ALA -2.30 0.40 1
31 ALA -2.80 0.12 1
35 VAL 2.20 0.00 1
36 THR 1.00 -0.15 1
37 ALA -1.60 0.59 1
38 THR -4.60 0.46 1
39 ARG -2.70 0.92 1
40 TRP -3.10 -0.22 1
41 ASP -2.50 0.09 1
44 ASP -2.40 0.29 1
46 SER 0.20 -0.19 1
47 ALA 1.00 0.11 1
48 GLU -3.50 0.17 1
49 VAL 0.00 0.81 1
50 ASP -4.00 0.40 1
51 ALA 1.00 0.16 1
52 ALA -5.30 1.01 1
55 ALA -1.60 -0.19 1
56 ALA -4.40 1.05 1
58 HIS 0.26 0.12 1
59 ARG -1.15 -0.32 1
60 TYR 4.00 -0.53 1
61 VAL -1.90 0.51 1
65 ARG -3.90 0.22 1
66 TYR -0.70 0.52 1
67 HIS -1.90 0.16 1
68 VAL -4.80 0.53 1
69 THR -4.50 0.03 1
70 ALA -2.00 0.44 1
71 VAL -0.43 0.14 1
73 ALA -2.50 0.13 1
74 LEU 0.20 -0.02 1
76 ALA -2.50 0.56 1
78 SER 0.40 0.21 1
79 ALA -2.20 0.54 1
80 LEU -5.70 0.33 1
81 LEU -4.70 0.18 1
84 ASP -5.20 0.47 1
85 VAL -2.50 0.41 1
86 GLN -1.90 0.48 1
87 VAL -3.50 0.25 1
stop_
save_