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 bmr11214_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.92
_LACS_plot.Line_1_terminator_val_y_1 -6.00
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.32
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -2.99
_LACS_plot.Line_2_terminator_val_x_2 5.26
_LACS_plot.Line_2_terminator_val_y_2 -0.05
_LACS_plot.Y_axis_chem_shift_offset 2.22
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
47 HIS -0.16 1.08 0
10 PHE -4.83 -3.43 1
11 VAL -5.27 -5.84 1
12 ALA -2.55 -2.85 1
13 LEU -0.18 -2.09 1
14 PHE -7.75 -6.32 1
15 ASP -0.33 -2.22 1
16 TYR -2.95 -2.08 1
17 GLN -2.78 -5.26 1
18 ALA -0.63 -2.07 1
19 ARG -0.29 -1.70 1
20 THR -4.95 -5.05 1
21 ALA 1.72 -1.23 1
22 GLU -0.59 -2.38 1
23 ASP -2.77 -3.27 1
24 LEU -4.98 -4.12 1
25 SER -0.67 -2.39 1
26 PHE -1.70 -3.60 1
27 ARG -4.79 -5.39 1
28 ALA 2.66 -1.22 1
30 ASP 1.18 -1.10 1
31 LYS -1.10 -3.50 1
32 LEU -5.67 -4.27 1
33 GLN -3.23 -4.49 1
34 VAL 1.65 -1.69 1
35 LEU -0.96 -2.49 1
36 ASP -2.34 -2.01 1
37 THR 0.22 -4.14 1
38 SER 3.78 0.91 1
39 HIS -0.57 -2.39 1
40 GLU 2.09 -0.87 1
42 TRP -3.61 -4.12 1
43 TRP -7.10 -7.28 1
44 LEU -1.46 -2.91 1
45 ALA -7.92 -4.47 1
46 ARG -6.14 -4.62 1
48 LEU 0.23 -1.88 1
49 GLU -1.84 -3.22 1
50 LYS 0.09 -2.57 1
51 LYS -0.41 -2.83 1
53 THR -0.17 -2.66 1
55 LEU 0.65 -2.16 1
57 GLN -0.49 -2.69 1
58 GLN 0.33 -2.35 1
59 LEU -0.19 -1.97 1
60 GLN -5.32 -4.55 1
62 TYR 0.34 -0.76 1
63 ILE -3.38 -4.52 1
65 SER 5.26 -0.37 1
66 ASN 2.68 -2.55 1
67 TYR 0.44 -2.13 1
68 VAL -7.37 -6.39 1
69 ALA -6.16 -4.60 1
70 GLU 1.64 -1.13 1
71 ASP -2.87 -3.61 1
72 SER -0.13 -2.53 1
75 SER 0.00 -2.60 1
76 SER -0.09 -2.55 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11214_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.92
_LACS_plot.Line_1_terminator_val_y_1 1.92
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -3.32
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.99
_LACS_plot.Line_2_terminator_val_x_2 5.26
_LACS_plot.Line_2_terminator_val_y_2 -5.31
_LACS_plot.Y_axis_chem_shift_offset 2.22
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
47 HIS -0.16 1.24 0
10 PHE -4.83 1.40 1
11 VAL -5.27 -0.57 1
12 ALA -2.55 -0.30 1
13 LEU -0.18 -1.91 1
14 PHE -7.75 1.43 1
15 ASP -0.33 -1.89 1
16 TYR -2.95 0.87 1
17 GLN -2.78 -2.48 1
18 ALA -0.63 -1.44 1
19 ARG -0.29 -1.41 1
20 THR -4.95 -0.10 1
21 ALA 1.72 -2.95 1
22 GLU -0.59 -1.79 1
23 ASP -2.77 -0.50 1
24 LEU -4.98 0.86 1
25 SER -0.67 -1.72 1
26 PHE -1.70 -1.90 1
27 ARG -4.79 -0.60 1
28 ALA 2.66 -3.88 1
30 ASP 1.18 -2.28 1
31 LYS -1.10 -2.40 1
32 LEU -5.67 1.40 1
33 GLN -3.23 -1.26 1
34 VAL 1.65 -3.34 1
35 LEU -0.96 -1.53 1
36 ASP -2.34 0.33 1
37 THR 0.22 -4.36 1
38 SER 3.78 -2.87 1
39 HIS -0.57 -1.82 1
40 GLU 2.09 -2.96 1
42 TRP -3.61 -0.51 1
43 TRP -7.10 -0.18 1
44 LEU -1.46 -1.45 1
45 ALA -7.92 3.45 1
46 ARG -6.14 1.52 1
48 LEU 0.23 -2.11 1
49 GLU -1.84 -1.38 1
50 LYS 0.09 -2.66 1
51 LYS -0.41 -2.42 1
53 THR -0.17 -2.49 1
55 LEU 0.65 -2.81 1
57 GLN -0.49 -2.20 1
58 GLN 0.33 -2.68 1
59 LEU -0.19 -1.78 1
60 GLN -5.32 0.77 1
62 TYR 0.34 -1.10 1
63 ILE -3.38 -1.14 1
65 SER 5.26 -5.63 1
66 ASN 2.68 -5.23 1
67 TYR 0.44 -2.57 1
68 VAL -7.37 0.98 1
69 ALA -6.16 1.56 1
70 GLU 1.64 -2.77 1
71 ASP -2.87 -0.74 1
72 SER -0.13 -2.40 1
75 SER 0.00 -2.60 1
76 SER -0.09 -2.46 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11214_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.92
_LACS_plot.Line_1_terminator_val_y_1 0.84
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.30
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.16
_LACS_plot.Line_2_terminator_val_x_2 5.26
_LACS_plot.Line_2_terminator_val_y_2 -0.66
_LACS_plot.Y_axis_chem_shift_offset 0.07
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
65 SER 5.26 -2.03 0
10 PHE -4.83 0.27 1
11 VAL -5.27 0.91 1
12 ALA -2.55 0.15 1
13 LEU -0.18 -0.44 1
14 PHE -7.75 0.25 1
15 ASP -0.33 -0.02 1
16 TYR -2.95 -0.13 1
17 GLN -2.78 -0.14 1
18 ALA -0.63 -0.55 1
19 ARG -0.29 -0.15 1
20 THR -4.95 0.26 1
21 ALA 1.72 -0.05 1
22 GLU -0.59 0.04 1
23 ASP -2.77 0.70 1
24 LEU -4.98 0.21 1
25 SER -0.67 0.40 1
26 PHE -1.70 0.40 1
27 ARG -4.79 0.63 1
28 ALA 2.66 -0.89 1
30 ASP 1.18 -0.06 1
31 LYS -1.10 0.59 1
32 LEU -5.67 0.56 1
33 GLN -3.23 0.61 1
34 VAL 1.65 -0.17 1
35 LEU -0.96 -0.13 1
36 ASP -2.34 0.10 1
37 THR 0.22 -0.30 1
38 SER 3.78 -0.48 1
39 HIS -0.57 0.01 1
40 GLU 2.09 -0.16 1
42 TRP -3.61 0.55 1
43 TRP -7.10 0.69 1
44 LEU -1.46 -0.32 1
45 ALA -7.92 0.92 1
46 ARG -6.14 0.87 1
47 HIS -0.16 -0.29 1
48 LEU 0.23 -0.03 1
49 GLU -1.84 -0.01 1
50 LYS 0.09 -0.10 1
51 LYS -0.41 -0.03 1
53 THR -0.17 -0.07 1
55 LEU 0.65 -0.10 1
57 GLN -0.49 -0.07 1
58 GLN 0.33 0.01 1
59 LEU -0.19 0.10 1
60 GLN -5.32 1.10 1
62 TYR 0.34 0.63 1
63 ILE -3.38 0.46 1
66 ASN 2.68 -0.20 1
67 TYR 0.44 0.17 1
68 VAL -7.37 1.16 1
69 ALA -6.16 0.52 1
70 GLU 1.64 -1.22 1
71 ASP -2.87 -0.05 1
72 SER -0.13 -0.15 1
75 SER 0.00 -0.10 1
76 SER -0.09 -0.08 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11214_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -7.92
_LACS_plot.Line_1_terminator_val_y_1 -4.86
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -2.48
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -3.45
_LACS_plot.Line_2_terminator_val_x_2 5.26
_LACS_plot.Line_2_terminator_val_y_2 -1.71
_LACS_plot.Y_axis_chem_shift_offset 2.97
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
65 SER 5.26 -3.18 0
47 HIS -0.16 -0.11 0
45 ALA -7.92 -6.82 0
10 PHE -4.83 -4.50 1
11 VAL -5.27 -4.30 1
12 ALA -2.55 -0.93 1
13 LEU -0.18 -4.57 1
14 PHE -7.75 -5.14 1
15 ASP -0.33 -3.15 1
16 TYR -2.95 -5.20 1
17 GLN -2.78 -5.46 1
18 ALA -0.63 -1.95 1
19 ARG -0.29 -2.11 1
20 THR -4.95 -2.60 1
21 ALA 1.72 -2.41 1
22 GLU -0.59 -2.39 1
23 ASP -2.77 -4.17 1
24 LEU -4.98 -4.91 1
25 SER -0.67 -2.63 1
26 PHE -1.70 -5.25 1
27 ARG -4.79 -3.14 1
28 ALA 2.66 -1.97 1
30 ASP 1.18 -3.57 1
31 LYS -1.10 -3.25 1
32 LEU -5.67 -5.13 1
33 GLN -3.23 -3.14 1
34 VAL 1.65 -3.65 1
35 LEU -0.96 -3.28 1
36 ASP -2.34 -2.73 1
37 THR 0.22 -2.83 1
38 SER 3.78 -2.26 1
39 HIS -0.57 -1.91 1
40 GLU 2.09 -0.99 1
42 TRP -3.61 -4.38 1
43 TRP -7.10 -3.24 1
44 LEU -1.46 -4.77 1
46 ARG -6.14 -3.25 1
48 LEU 0.23 -2.70 1
49 GLU -1.84 -3.38 1
50 LYS 0.09 -2.95 1
51 LYS -0.41 -2.20 1
53 THR -0.17 -1.94 1
55 LEU 0.65 -1.99 1
57 GLN -0.49 -2.89 1
58 GLN 0.33 -2.88 1
59 LEU -0.19 -4.67 1
60 GLN -5.32 -3.86 1
62 TYR 0.34 -2.25 1
63 ILE -3.38 -5.49 1
66 ASN 2.68 -2.35 1
67 TYR 0.44 -3.63 1
68 VAL -7.37 -5.10 1
69 ALA -6.16 -4.23 1
70 GLU 1.64 -3.51 1
71 ASP -2.87 -3.57 1
72 SER -0.13 -2.35 1
75 SER 0.00 -2.53 1
76 SER -0.09 -3.29 1
stop_
save_