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 bmr5956_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -3.59
_LACS_plot.Line_1_terminator_val_y_1 -1.46
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 2.24
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.64
_LACS_plot.Line_2_terminator_val_x_2 7.95
_LACS_plot.Line_2_terminator_val_y_2 6.17
_LACS_plot.Y_axis_chem_shift_offset -0.82
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
59 HIS 3.60 5.11 0
20 LYS 6.15 2.97 0
37 LYS 1.62 -0.16 0
10 ALA -0.21 0.11 1
15 ARG -1.50 0.63 1
19 ILE 2.35 2.61 1
23 PHE -3.29 -0.71 1
24 HIS 0.70 2.30 1
26 LEU 4.66 3.52 1
27 ARG 4.81 3.80 1
28 ASP 2.86 1.89 1
29 SER 0.97 1.59 1
30 VAL -0.84 -0.42 1
32 SER 2.71 1.45 1
33 LEU -1.87 -0.74 1
34 GLN 3.28 2.12 1
36 GLU -2.63 -1.15 1
38 ALA -3.59 -1.07 1
39 SER -2.84 -1.33 1
40 ARG 5.70 4.90 1
41 ALA 4.30 3.24 1
42 GLN 3.74 3.24 1
43 ILE 4.78 4.73 1
44 LEU 3.43 3.41 1
45 ASP 4.38 3.68 1
46 LYS 3.91 1.91 1
47 ALA 4.12 3.70 1
48 THR 7.95 6.34 1
49 GLU 2.45 3.09 1
50 TYR 2.36 2.96 1
51 ILE 7.19 6.22 1
52 GLN 5.72 3.89 1
53 TYR 3.77 3.32 1
54 MET 2.65 2.55 1
55 ARG 4.80 4.41 1
56 ARG 4.31 3.37 1
57 LYS 4.23 3.00 1
58 VAL 6.59 5.34 1
60 THR 5.51 4.90 1
61 LEU 3.07 3.09 1
62 GLN 4.60 3.52 1
63 GLN 4.49 3.35 1
64 ASP 4.02 3.72 1
65 ILE 5.73 4.92 1
66 ASP 4.60 3.95 1
67 ASP 3.52 3.75 1
68 LEU 2.07 3.31 1
69 LYS 5.07 4.42 1
70 ARG 4.79 3.84 1
71 GLN 4.10 3.42 1
72 ASN 4.32 4.13 1
73 ALA 3.78 2.73 1
74 LEU 3.59 3.10 1
75 LEU 1.77 3.12 1
76 GLU 4.15 3.80 1
77 GLN 4.41 3.31 1
78 GLN 4.20 3.53 1
79 VAL 6.39 5.29 1
80 ARG 3.72 3.04 1
81 ALA 2.91 2.12 1
82 LEU 0.62 1.78 1
83 GLU 2.17 2.25 1
85 SER 0.29 0.72 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5956_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -3.59
_LACS_plot.Line_1_terminator_val_y_1 2.13
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.24
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 1.36
_LACS_plot.Line_2_terminator_val_x_2 7.95
_LACS_plot.Line_2_terminator_val_y_2 -1.78
_LACS_plot.Y_axis_chem_shift_offset -0.82
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
59 HIS 3.60 1.51 0
20 LYS 6.15 -3.18 0
37 LYS 1.62 -1.78 0
10 ALA -0.21 0.32 1
15 ARG -1.50 2.13 1
19 ILE 2.35 0.26 1
23 PHE -3.29 2.58 1
24 HIS 0.70 1.60 1
26 LEU 4.66 -1.14 1
27 ARG 4.81 -1.01 1
28 ASP 2.86 -0.97 1
29 SER 0.97 0.62 1
30 VAL -0.84 0.42 1
32 SER 2.71 -1.26 1
33 LEU -1.87 1.13 1
34 GLN 3.28 -1.16 1
36 GLU -2.63 1.48 1
38 ALA -3.59 2.52 1
39 SER -2.84 1.51 1
40 ARG 5.70 -0.80 1
41 ALA 4.30 -1.06 1
42 GLN 3.74 -0.50 1
43 ILE 4.78 -0.05 1
44 LEU 3.43 -0.02 1
45 ASP 4.38 -0.70 1
46 LYS 3.91 -2.00 1
47 ALA 4.12 -0.42 1
48 THR 7.95 -1.61 1
49 GLU 2.45 0.64 1
50 TYR 2.36 0.60 1
51 ILE 7.19 -0.97 1
52 GLN 5.72 -1.83 1
53 TYR 3.77 -0.45 1
54 MET 2.65 -0.10 1
55 ARG 4.80 -0.39 1
56 ARG 4.31 -0.94 1
57 LYS 4.23 -1.23 1
58 VAL 6.59 -1.25 1
60 THR 5.51 -0.61 1
61 LEU 3.07 0.02 1
62 GLN 4.60 -1.08 1
63 GLN 4.49 -1.14 1
64 ASP 4.02 -0.30 1
65 ILE 5.73 -0.81 1
66 ASP 4.60 -0.65 1
67 ASP 3.52 0.23 1
68 LEU 2.07 1.24 1
69 LYS 5.07 -0.65 1
70 ARG 4.79 -0.95 1
71 GLN 4.10 -0.68 1
72 ASN 4.32 -0.19 1
73 ALA 3.78 -1.05 1
74 LEU 3.59 -0.49 1
75 LEU 1.77 1.35 1
76 GLU 4.15 -0.35 1
77 GLN 4.41 -1.10 1
78 GLN 4.20 -0.67 1
79 VAL 6.39 -1.10 1
80 ARG 3.72 -0.68 1
81 ALA 2.91 -0.79 1
82 LEU 0.62 1.16 1
83 GLU 2.17 0.08 1
85 SER 0.29 0.43 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5956_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -3.59
_LACS_plot.Line_1_terminator_val_y_1 -0.06
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.22
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.10
_LACS_plot.Line_2_terminator_val_x_2 7.95
_LACS_plot.Line_2_terminator_val_y_2 -0.41
_LACS_plot.Y_axis_chem_shift_offset 0.16
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
48 THR 7.95 0.03 0
23 PHE -3.29 -0.39 0
19 ILE 2.35 -0.05 1
20 LYS 6.15 -0.20 1
24 HIS 0.70 -0.50 1
26 LEU 4.66 -0.22 1
27 ARG 4.81 0.02 1
28 ASP 2.86 -0.18 1
29 SER 0.97 -0.18 1
30 VAL -0.84 -0.35 1
32 SER 2.71 -0.37 1
33 LEU -1.87 0.05 1
34 GLN 3.28 -0.20 1
36 GLU -2.63 0.08 1
37 LYS 1.62 0.02 1
38 ALA -3.59 0.02 1
39 SER -2.84 -0.25 1
41 ALA 4.30 -0.52 1
42 GLN 3.74 -0.23 1
43 ILE 4.78 -0.61 1
44 LEU 3.43 -0.55 1
45 ASP 4.38 -0.20 1
46 LYS 3.91 -0.08 1
47 ALA 4.12 -0.08 1
49 GLU 2.45 -0.28 1
50 TYR 2.36 -0.14 1
51 ILE 7.19 -0.75 1
52 GLN 5.72 -0.25 1
53 TYR 3.77 -0.29 1
54 MET 2.65 -0.56 1
55 ARG 4.80 -0.46 1
56 ARG 4.31 -0.19 1
57 LYS 4.23 -0.36 1
58 VAL 6.59 -0.69 1
59 HIS 3.60 -0.34 1
60 THR 5.51 -0.40 1
61 LEU 3.07 -0.13 1
62 GLN 4.60 -0.36 1
63 GLN 4.49 -0.22 1
64 ASP 4.02 -0.17 1
65 ILE 5.73 -0.57 1
66 ASP 4.60 -0.26 1
67 ASP 3.52 -0.15 1
68 LEU 2.07 -0.34 1
69 LYS 5.07 -0.34 1
70 ARG 4.79 -0.20 1
71 GLN 4.10 -0.24 1
72 ASN 4.32 -0.44 1
73 ALA 3.78 -0.14 1
74 LEU 3.59 -0.22 1
75 LEU 1.77 -0.22 1
76 GLU 4.15 -0.45 1
77 GLN 4.41 -0.34 1
78 GLN 4.20 -0.19 1
79 VAL 6.39 -0.66 1
80 ARG 3.72 -0.24 1
81 ALA 2.91 -0.14 1
82 LEU 0.62 -0.22 1
83 GLU 2.17 -0.22 1
85 SER 0.29 0.05 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5956_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -3.59
_LACS_plot.Line_1_terminator_val_y_1 -0.62
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.46
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.47
_LACS_plot.Line_2_terminator_val_x_2 7.95
_LACS_plot.Line_2_terminator_val_y_2 2.93
_LACS_plot.Y_axis_chem_shift_offset -0.84
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
29 SER 0.97 -2.15 0
38 ALA -3.59 -1.12 0
10 ALA -0.21 -0.52 1
15 ARG -1.50 2.72 1
19 ILE 2.35 2.13 1
20 LYS 6.15 0.63 1
26 LEU 4.66 1.24 1
27 ARG 4.81 1.44 1
28 ASP 2.86 0.69 1
32 SER 2.71 0.31 1
33 LEU -1.87 -0.70 1
36 GLU -2.63 -0.07 1
37 LYS 1.62 -0.84 1
40 ARG 5.70 1.45 1
41 ALA 4.30 0.98 1
42 GLN 3.74 2.68 1
43 ILE 4.78 0.85 1
44 LEU 3.43 1.66 1
45 ASP 4.38 3.49 1
46 LYS 3.91 3.58 1
47 ALA 4.12 0.97 1
48 THR 7.95 1.81 1
49 GLU 2.45 2.40 1
50 TYR 2.36 1.96 1
51 ILE 7.19 1.51 1
52 GLN 5.72 3.02 1
53 TYR 3.77 1.91 1
54 MET 2.65 1.80 1
55 ARG 4.80 3.33 1
56 ARG 4.31 2.29 1
57 LYS 4.23 1.84 1
58 VAL 6.59 0.85 1
59 HIS 3.60 4.18 1
60 THR 5.51 1.80 1
61 LEU 3.07 1.61 1
62 GLN 4.60 2.55 1
63 GLN 4.49 2.48 1
64 ASP 4.02 3.30 1
65 ILE 5.73 0.75 1
66 ASP 4.60 3.23 1
67 ASP 3.52 2.79 1
68 LEU 2.07 2.34 1
69 LYS 5.07 3.44 1
70 ARG 4.79 2.89 1
71 GLN 4.10 2.48 1
72 ASN 4.32 1.56 1
73 ALA 3.78 3.21 1
74 LEU 3.59 2.74 1
75 LEU 1.77 1.37 1
76 GLU 4.15 2.76 1
77 GLN 4.41 2.73 1
78 GLN 4.20 2.53 1
79 VAL 6.39 1.60 1
80 ARG 3.72 3.16 1
81 ALA 2.91 2.43 1
82 LEU 0.62 1.69 1
83 GLU 2.17 1.80 1
85 SER 0.29 0.18 1
stop_
save_