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 bmr11488_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -5.90
_LACS_plot.Line_1_terminator_val_y_1 -2.65
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.12
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.15
_LACS_plot.Line_2_terminator_val_x_2 6.36
_LACS_plot.Line_2_terminator_val_y_2 4.75
_LACS_plot.Y_axis_chem_shift_offset -0.22
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
79 HIS 0.68 3.35 0
10 PHE -1.52 -0.50 1
11 THR -1.14 -0.36 1
13 GLU 1.69 1.51 1
14 TYR 3.80 2.15 1
16 ASN 3.36 2.32 1
17 LYS 1.11 2.10 1
18 VAL -2.45 -1.33 1
19 PHE -4.40 -0.72 1
20 LYS 0.71 0.89 1
21 PHE -5.19 -2.41 1
22 LYS 4.54 3.27 1
23 HIS 3.83 3.98 1
24 SER 3.58 2.18 1
25 LEU 4.76 2.60 1
26 GLN 4.75 3.69 1
27 ALA 3.12 2.23 1
28 HIS 4.49 4.09 1
29 LEU 2.99 3.00 1
30 ARG 3.30 2.49 1
31 ILE 3.05 1.88 1
32 HIS 0.85 0.12 1
33 THR 1.63 1.24 1
34 ASN 0.59 0.35 1
35 GLU 0.04 0.45 1
36 LYS -1.24 -0.69 1
38 TYR 1.75 -0.34 1
39 LYS -2.75 -1.36 1
42 GLN -0.88 0.44 1
44 SER 1.27 1.28 1
45 TYR 2.22 2.99 1
46 ALA -5.90 -1.92 1
47 SER -3.37 -1.86 1
48 ALA 0.14 0.75 1
49 ILE -2.52 -1.60 1
50 LYS 5.93 4.25 1
51 ALA 3.37 2.65 1
52 ASN 4.10 2.08 1
53 LEU 5.03 2.86 1
54 ASN 4.91 3.56 1
55 VAL 4.90 4.20 1
56 HIS 6.36 5.13 1
57 LEU 3.13 3.06 1
58 ARG 3.28 2.25 1
59 LYS 3.10 1.54 1
60 HIS 0.79 0.52 1
61 THR 0.94 0.85 1
63 GLU -0.68 -0.13 1
64 LYS -1.85 -0.69 1
65 PHE -0.97 -0.03 1
66 ALA -4.19 -1.83 1
68 ASP 1.77 1.86 1
69 TYR 0.47 -0.10 1
71 SER 1.47 1.35 1
72 PHE 1.10 2.84 1
73 THR -5.43 -2.58 1
75 LEU -0.23 0.37 1
76 SER -3.72 -1.64 1
77 LYS 4.05 2.91 1
80 LEU 4.05 3.02 1
81 LYS 4.54 3.94 1
82 VAL 4.79 3.85 1
83 HIS 5.87 4.95 1
84 ILE 6.06 5.66 1
85 GLU 2.82 2.65 1
86 ARG 2.27 2.48 1
87 VAL 2.68 2.09 1
88 HIS 0.05 -0.60 1
89 LYS 2.05 0.51 1
90 LYS -0.36 -0.44 1
91 ILE 0.13 0.02 1
92 LYS 0.71 1.47 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11488_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -5.90
_LACS_plot.Line_1_terminator_val_y_1 3.25
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.88
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.85
_LACS_plot.Line_2_terminator_val_x_2 6.36
_LACS_plot.Line_2_terminator_val_y_2 -1.61
_LACS_plot.Y_axis_chem_shift_offset -0.22
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
79 HIS 0.68 2.67 0
10 PHE -1.52 1.02 1
11 THR -1.14 0.78 1
13 GLU 1.69 -0.18 1
14 TYR 3.80 -1.65 1
16 ASN 3.36 -1.04 1
17 LYS 1.11 0.99 1
18 VAL -2.45 1.12 1
19 PHE -4.40 3.68 1
20 LYS 0.71 0.18 1
21 PHE -5.19 2.78 1
22 LYS 4.54 -1.27 1
23 HIS 3.83 0.15 1
24 SER 3.58 -1.40 1
25 LEU 4.76 -2.16 1
26 GLN 4.75 -1.06 1
27 ALA 3.12 -0.89 1
28 HIS 4.49 -0.40 1
29 LEU 2.99 0.01 1
30 ARG 3.30 -0.81 1
31 ILE 3.05 -1.17 1
32 HIS 0.85 -0.73 1
33 THR 1.63 -0.39 1
34 ASN 0.59 -0.24 1
35 GLU 0.04 0.41 1
36 LYS -1.24 0.55 1
38 TYR 1.75 -2.09 1
39 LYS -2.75 1.39 1
42 GLN -0.88 1.32 1
44 SER 1.27 0.01 1
45 TYR 2.22 0.77 1
46 ALA -5.90 3.98 1
47 SER -3.37 1.51 1
48 ALA 0.14 0.61 1
49 ILE -2.52 0.92 1
50 LYS 5.93 -1.68 1
51 ALA 3.37 -0.72 1
52 ASN 4.10 -2.02 1
53 LEU 5.03 -2.17 1
54 ASN 4.91 -1.35 1
55 VAL 4.90 -0.70 1
56 HIS 6.36 -1.23 1
57 LEU 3.13 -0.07 1
58 ARG 3.28 -1.03 1
59 LYS 3.10 -1.56 1
60 HIS 0.79 -0.27 1
61 THR 0.94 -0.09 1
63 GLU -0.68 0.55 1
64 LYS -1.85 1.16 1
65 PHE -0.97 0.94 1
66 ALA -4.19 2.36 1
68 ASP 1.77 0.09 1
69 TYR 0.47 -0.57 1
71 SER 1.47 -0.12 1
72 PHE 1.10 1.74 1
73 THR -5.43 2.85 1
75 LEU -0.23 0.60 1
76 SER -3.72 2.08 1
77 LYS 4.05 -1.14 1
80 LEU 4.05 -1.03 1
81 LYS 4.54 -0.60 1
82 VAL 4.79 -0.94 1
83 HIS 5.87 -0.92 1
84 ILE 6.06 -0.40 1
85 GLU 2.82 -0.17 1
86 ARG 2.27 0.21 1
87 VAL 2.68 -0.59 1
88 HIS 0.05 -0.65 1
89 LYS 2.05 -1.54 1
90 LYS -0.36 -0.08 1
91 ILE 0.13 -0.11 1
92 LYS 0.71 0.76 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11488_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -5.90
_LACS_plot.Line_1_terminator_val_y_1 0.49
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.19
_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 6.36
_LACS_plot.Line_2_terminator_val_y_2 -0.59
_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
22 LYS 4.54 -1.46 0
10 PHE -1.52 0.10 1
11 THR -1.14 0.67 1
13 GLU 1.69 -0.19 1
14 TYR 3.80 -0.24 1
16 ASN 3.36 -0.22 1
17 LYS 1.11 -0.24 1
18 VAL -2.45 0.59 1
19 PHE -4.40 0.09 1
20 LYS 0.71 0.03 1
21 PHE -5.19 0.34 1
23 HIS 3.83 -0.35 1
24 SER 3.58 -0.20 1
25 LEU 4.76 -1.28 1
26 GLN 4.75 -0.51 1
27 ALA 3.12 -0.23 1
28 HIS 4.49 -0.52 1
29 LEU 2.99 -0.49 1
30 ARG 3.30 -0.30 1
31 ILE 3.05 -0.21 1
32 HIS 0.85 -0.09 1
33 THR 1.63 -0.24 1
34 ASN 0.59 -0.10 1
35 GLU 0.04 -0.22 1
36 LYS -1.24 -0.23 1
38 TYR 1.75 0.09 1
39 LYS -2.75 0.37 1
42 GLN -0.88 0.10 1
44 SER 1.27 -0.05 1
45 TYR 2.22 -0.59 1
46 ALA -5.90 0.57 1
47 SER -3.37 0.04 1
48 ALA 0.14 0.33 1
49 ILE -2.52 0.30 1
50 LYS 5.93 -1.32 1
51 ALA 3.37 -0.25 1
52 ASN 4.10 -0.22 1
53 LEU 5.03 0.06 1
54 ASN 4.91 -0.34 1
55 VAL 4.90 -0.51 1
56 HIS 6.36 -0.91 1
57 LEU 3.13 -0.51 1
58 ARG 3.28 -0.26 1
59 LYS 3.10 -0.37 1
60 HIS 0.79 0.02 1
61 THR 0.94 -0.04 1
63 GLU -0.68 -0.25 1
64 LYS -1.85 0.06 1
65 PHE -0.97 -0.10 1
66 ALA -4.19 0.57 1
68 ASP 1.77 -0.22 1
69 TYR 0.47 -0.03 1
71 SER 1.47 0.08 1
72 PHE 1.10 -0.31 1
73 THR -5.43 0.63 1
75 LEU -0.23 0.48 1
76 SER -3.72 0.17 1
77 LYS 4.05 -1.09 1
79 HIS 0.68 -0.19 1
80 LEU 4.05 0.02 1
81 LYS 4.54 -0.32 1
82 VAL 4.79 -0.33 1
83 HIS 5.87 -0.68 1
84 ILE 6.06 -0.69 1
85 GLU 2.82 -0.43 1
86 ARG 2.27 -0.26 1
87 VAL 2.68 -0.46 1
88 HIS 0.05 0.11 1
89 LYS 2.05 -0.12 1
90 LYS -0.36 0.02 1
91 ILE 0.13 -0.04 1
92 LYS 0.71 -0.17 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr11488_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -5.90
_LACS_plot.Line_1_terminator_val_y_1 -2.62
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.56
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.07
_LACS_plot.Line_2_terminator_val_x_2 6.36
_LACS_plot.Line_2_terminator_val_y_2 2.33
_LACS_plot.Y_axis_chem_shift_offset 0.25
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
92 LYS 0.71 4.26 0
79 HIS 0.68 4.31 0
10 PHE -1.52 -1.11 1
11 THR -1.14 -0.95 1
13 GLU 1.69 -0.32 1
14 TYR 3.80 1.15 1
16 ASN 3.36 -1.15 1
17 LYS 1.11 -2.15 1
18 VAL -2.45 -0.98 1
19 PHE -4.40 -0.74 1
20 LYS 0.71 -1.30 1
21 PHE -5.19 0.01 1
22 LYS 4.54 2.23 1
23 HIS 3.83 4.06 1
24 SER 3.58 2.02 1
25 LEU 4.76 -0.21 1
26 GLN 4.75 2.48 1
27 ALA 3.12 2.31 1
28 HIS 4.49 1.98 1
29 LEU 2.99 1.08 1
30 ARG 3.30 2.11 1
31 ILE 3.05 0.86 1
32 HIS 0.85 1.45 1
33 THR 1.63 -0.21 1
34 ASN 0.59 -0.20 1
35 GLU 0.04 -0.33 1
36 LYS -1.24 -1.14 1
38 TYR 1.75 -2.01 1
39 LYS -2.75 -0.89 1
42 GLN -0.88 -1.18 1
44 SER 1.27 -0.49 1
45 TYR 2.22 -2.69 1
46 ALA -5.90 -2.83 1
47 SER -3.37 -1.27 1
48 ALA 0.14 -1.02 1
49 ILE -2.52 0.21 1
50 LYS 5.93 1.92 1
51 ALA 3.37 1.91 1
52 ASN 4.10 3.70 1
53 LEU 5.03 0.00 1
54 ASN 4.91 2.80 1
55 VAL 4.90 2.06 1
56 HIS 6.36 2.52 1
57 LEU 3.13 1.76 1
58 ARG 3.28 1.99 1
59 LYS 3.10 1.21 1
60 HIS 0.79 1.47 1
61 THR 0.94 0.49 1
63 GLU -0.68 -1.48 1
64 LYS -1.85 -1.30 1
65 PHE -0.97 -2.00 1
66 ALA -4.19 -1.95 1
68 ASP 1.77 0.34 1
69 TYR 0.47 -0.97 1
71 SER 1.47 -0.50 1
72 PHE 1.10 -1.28 1
73 THR -5.43 -2.84 1
75 LEU -0.23 -0.68 1
76 SER -3.72 -0.88 1
77 LYS 4.05 2.60 1
80 LEU 4.05 -0.08 1
81 LYS 4.54 2.31 1
82 VAL 4.79 1.23 1
83 HIS 5.87 2.41 1
84 ILE 6.06 2.16 1
85 GLU 2.82 1.48 1
86 ARG 2.27 1.81 1
87 VAL 2.68 0.12 1
88 HIS 0.05 0.36 1
89 LYS 2.05 -0.54 1
90 LYS -0.36 -0.59 1
91 ILE 0.13 -1.10 1
stop_
save_