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 bmr30636_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.15
_LACS_plot.Line_1_terminator_val_y_1 -2.74
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.78
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.41
_LACS_plot.Line_2_terminator_val_x_2 8.62
_LACS_plot.Line_2_terminator_val_y_2 6.31
_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
35 ALA 8.62 6.66 0
10 LYS -3.39 -1.04 1
12 ALA -2.58 -1.60 1
13 ASP -0.71 -0.13 1
15 SER 0.00 0.15 1
18 SER -0.15 0.18 1
21 SER -0.30 0.11 1
24 SER 0.34 0.46 1
25 GLN -0.10 0.53 1
27 LEU -7.15 -1.87 1
29 ALA -5.28 -1.42 1
30 THR -0.55 0.48 1
31 LEU -6.50 -1.91 1
32 ASP 0.45 0.05 1
33 VAL -3.42 -1.11 1
37 ILE 3.69 1.52 1
38 ALA 4.24 2.56 1
39 VAL 5.34 4.78 1
40 VAL 0.47 0.84 1
43 LYS -3.02 -1.16 1
44 VAL -5.38 -2.27 1
45 ARG -1.08 -0.28 1
46 ALA -6.09 -2.13 1
47 MET -1.30 -1.94 1
48 THR -4.11 -1.99 1
49 LEU 4.82 3.23 1
50 GLU 1.12 0.80 1
53 VAL -6.76 -3.48 1
54 GLU -3.26 -1.45 1
55 VAL -2.52 -1.20 1
56 ALA -0.48 -1.24 1
57 VAL 0.14 0.27 1
60 ARG 5.23 0.84 1
61 THR 3.99 3.58 1
62 GLN -3.98 -2.01 1
63 ALA 1.59 1.12 1
65 ARG 0.79 0.71 1
66 LYS -2.94 -1.28 1
67 LEU -2.31 -2.30 1
68 ARG -2.98 -0.88 1
69 LEU 1.32 -1.13 1
70 LYS 1.80 0.76 1
72 LYS -1.11 -2.41 1
74 PHE 0.92 0.19 1
78 ALA -1.12 -1.21 1
80 ARG -1.91 -0.13 1
82 ASP -3.60 -0.20 1
83 LEU -5.61 -2.16 1
84 TYR -3.08 -0.69 1
85 LEU -3.79 -3.17 1
86 GLU -2.37 -1.16 1
87 VAL 3.26 2.63 1
88 ARG -2.42 -0.87 1
89 ILE 0.08 -1.96 1
90 THR -0.15 0.39 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr30636_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.15
_LACS_plot.Line_1_terminator_val_y_1 4.41
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.22
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.59
_LACS_plot.Line_2_terminator_val_x_2 8.62
_LACS_plot.Line_2_terminator_val_y_2 -2.31
_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
35 ALA 8.62 -1.96 0
10 LYS -3.39 2.35 1
12 ALA -2.58 0.98 1
13 ASP -0.71 0.58 1
15 SER 0.00 0.15 1
18 SER -0.15 0.33 1
21 SER -0.30 0.41 1
24 SER 0.34 0.12 1
25 GLN -0.10 0.63 1
27 LEU -7.15 5.28 1
29 ALA -5.28 3.86 1
30 THR -0.55 1.03 1
31 LEU -6.50 4.59 1
32 ASP 0.45 -0.40 1
33 VAL -3.42 2.31 1
37 ILE 3.69 -2.17 1
38 ALA 4.24 -1.68 1
39 VAL 5.34 -0.56 1
40 VAL 0.47 0.37 1
43 LYS -3.02 1.86 1
44 VAL -5.38 3.11 1
45 ARG -1.08 0.80 1
46 ALA -6.09 3.96 1
47 MET -1.30 -0.64 1
48 THR -4.11 2.12 1
49 LEU 4.82 -1.59 1
50 GLU 1.12 -0.32 1
53 VAL -6.76 3.28 1
54 GLU -3.26 1.81 1
55 VAL -2.52 1.32 1
56 ALA -0.48 -0.76 1
57 VAL 0.14 0.13 1
60 ARG 5.23 -4.39 1
61 THR 3.99 -0.41 1
62 GLN -3.98 1.97 1
63 ALA 1.59 -0.47 1
65 ARG 0.79 -0.08 1
66 LYS -2.94 1.66 1
67 LEU -2.31 0.01 1
68 ARG -2.98 2.10 1
69 LEU 1.32 -2.45 1
70 LYS 1.80 -1.04 1
72 LYS -1.11 -1.30 1
74 PHE 0.92 -0.73 1
78 ALA -1.12 -0.09 1
80 ARG -1.91 1.78 1
82 ASP -3.60 3.40 1
83 LEU -5.61 3.45 1
84 TYR -3.08 2.39 1
85 LEU -3.79 0.62 1
86 GLU -2.37 1.21 1
87 VAL 3.26 -0.63 1
88 ARG -2.42 1.55 1
89 ILE 0.08 -2.04 1
90 THR -0.15 0.54 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr30636_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.15
_LACS_plot.Line_1_terminator_val_y_1 0.71
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.07
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.28
_LACS_plot.Line_2_terminator_val_x_2 8.62
_LACS_plot.Line_2_terminator_val_y_2 -0.62
_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
89 ILE 0.08 0.89 0
35 ALA 8.62 -0.43 0
10 LYS -3.39 0.20 1
12 ALA -2.58 0.20 1
13 ASP -0.71 -0.04 1
15 SER 0.00 0.04 1
18 SER -0.15 0.05 1
24 SER 0.34 0.06 1
25 GLN -0.10 0.33 1
27 LEU -7.15 0.67 1
29 ALA -5.28 0.68 1
30 THR -0.55 0.59 1
31 LEU -6.50 0.36 1
32 ASP 0.45 0.53 1
33 VAL -3.42 0.09 1
37 ILE 3.69 -0.57 1
38 ALA 4.24 -0.55 1
39 VAL 5.34 -0.35 1
40 VAL 0.47 0.17 1
43 LYS -3.02 1.06 1
44 VAL -5.38 0.44 1
45 ARG -1.08 0.77 1
46 ALA -6.09 0.35 1
47 MET -1.30 0.22 1
48 THR -4.11 -0.03 1
49 LEU 4.82 -0.31 1
50 GLU 1.12 -0.03 1
53 VAL -6.76 0.88 1
54 GLU -3.26 0.54 1
55 VAL -2.52 0.28 1
56 ALA -0.48 0.24 1
57 VAL 0.14 -0.31 1
60 ARG 5.23 -0.44 1
61 THR 3.99 -0.35 1
62 GLN -3.98 0.10 1
63 ALA 1.59 -0.47 1
65 ARG 0.79 -0.02 1
66 LYS -2.94 1.01 1
67 LEU -2.31 0.80 1
68 ARG -2.98 0.21 1
69 LEU 1.32 0.38 1
70 LYS 1.80 -0.23 1
72 LYS -1.11 0.36 1
78 ALA -1.12 0.31 1
80 ARG -1.91 0.38 1
82 ASP -3.60 0.31 1
83 LEU -5.61 0.59 1
84 TYR -3.08 0.20 1
85 LEU -3.79 0.74 1
86 GLU -2.37 0.38 1
87 VAL 3.26 0.15 1
88 ARG -2.42 0.23 1
90 THR -0.15 -0.03 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr30636_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -7.15
_LACS_plot.Line_1_terminator_val_y_1 -2.66
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.07
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.14
_LACS_plot.Line_2_terminator_val_x_2 5.33
_LACS_plot.Line_2_terminator_val_y_2 0.76
_LACS_plot.Y_axis_chem_shift_offset 0.63
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
61 THR 3.99 -1.62 0
80 ARG -1.91 1.98 0
39 VAL 5.34 3.11 0
13 ASP -0.71 0.58 1
21 SER -0.30 0.47 1
24 SER 0.34 0.74 1
25 GLN -0.10 -0.97 1
27 LEU -7.15 -3.12 1
29 ALA -5.28 -1.41 1
30 THR -0.55 -1.52 1
31 LEU -6.50 -4.06 1
32 ASP 0.45 -0.47 1
37 ILE 3.69 0.34 1
38 ALA 4.24 -0.03 1
40 VAL 0.47 1.05 1
43 LYS -3.02 -0.34 1
44 VAL -5.38 -2.16 1
45 ARG -1.08 -1.25 1
46 ALA -6.09 -1.94 1
47 MET -1.30 -2.77 1
48 THR -4.11 0.51 1
49 LEU 4.82 -0.18 1
50 GLU 1.12 -0.98 1
53 VAL -6.76 -2.21 1
54 GLU -3.26 -0.55 1
55 VAL -2.52 -2.34 1
56 ALA -0.48 -2.21 1
60 ARG 5.23 -0.08 1
62 GLN -3.98 -1.27 1
63 ALA 1.59 0.95 1
65 ARG 0.79 -1.44 1
66 LYS -2.94 -1.61 1
67 LEU -2.31 -2.20 1
68 ARG -2.98 -1.48 1
69 LEU 1.32 -1.34 1
70 LYS 1.80 2.20 1
72 LYS -1.11 -0.33 1
78 ALA -1.12 -1.12 1
82 ASP -3.60 -3.29 1
83 LEU -5.61 -3.99 1
84 TYR -3.08 -1.67 1
85 LEU -3.79 -1.97 1
86 GLU -2.37 -0.62 1
87 VAL 3.26 -0.06 1
88 ARG -2.42 -2.38 1
89 ILE 0.08 0.57 1
stop_
save_