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 bmr5217_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -3.77
_LACS_plot.Line_1_terminator_val_y_1 -1.64
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 0.96
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.78
_LACS_plot.Line_2_terminator_val_x_2 6.65
_LACS_plot.Line_2_terminator_val_y_2 5.48
_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
64 ILE 1.35 -2.22 0
12 SER 0.30 0.30 1
14 LEU 0.11 0.03 1
15 VAL -0.17 -0.12 1
17 ARG 0.35 0.34 1
19 SER -0.10 0.00 1
21 MET 0.10 0.00 1
22 ASN 0.40 0.40 1
23 THR 0.80 0.40 1
24 SER 0.90 0.70 1
25 SER 0.87 0.71 1
26 LEU 1.68 1.50 1
27 GLU 1.90 1.60 1
28 THR 0.71 0.04 1
29 ILE 1.10 0.48 1
30 GLU 1.75 1.54 1
32 VAL 2.17 0.25 1
35 LYS 4.60 3.32 1
36 ARG 4.10 3.47 1
37 ARG 5.59 4.59 1
38 GLN 4.29 3.30 1
39 MET 4.23 3.63 1
40 LEU 3.14 3.50 1
41 LEU 4.33 3.17 1
42 LYS 3.67 3.17 1
43 TYR 3.43 3.83 1
44 MET -0.71 -1.03 1
47 LEU 3.58 2.95 1
48 GLN 4.79 3.21 1
50 LEU 3.24 2.60 1
51 ARG 3.92 3.32 1
52 ASN -1.22 -0.32 1
53 ALA -1.74 -0.18 1
54 SER -3.77 -1.75 1
55 VAL 6.65 5.09 1
56 GLU 3.81 3.00 1
57 GLU 2.27 2.46 1
58 ILE 4.94 4.46 1
59 ALA 1.63 0.42 1
60 LYS 0.51 0.20 1
61 VAL 2.55 1.39 1
65 SER -2.99 -1.25 1
66 GLN 5.56 3.94 1
68 LEU 2.95 2.03 1
69 ALA 3.63 3.20 1
70 GLU 3.49 3.32 1
71 LYS 3.88 3.45 1
72 ILE 4.97 4.54 1
73 PHE 3.13 4.16 1
74 TRP 2.90 2.60 1
75 SER 4.44 3.56 1
76 LEU 0.68 0.35 1
77 LYS -0.07 -0.45 1
78 HIS 0.81 2.21 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5217_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -3.77
_LACS_plot.Line_1_terminator_val_y_1 2.13
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 -1.03
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.22
_LACS_plot.Line_2_terminator_val_x_2 6.65
_LACS_plot.Line_2_terminator_val_y_2 -1.17
_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
64 ILE 1.35 -3.57 0
12 SER 0.30 0.00 1
14 LEU 0.11 -0.08 1
15 VAL -0.17 0.05 1
17 ARG 0.35 -0.01 1
19 SER -0.10 0.10 1
21 MET 0.10 -0.10 1
22 ASN 0.40 0.00 1
23 THR 0.80 -0.40 1
24 SER 0.90 -0.20 1
25 SER 0.87 -0.16 1
26 LEU 1.68 -0.18 1
27 GLU 1.90 -0.30 1
28 THR 0.71 -0.67 1
29 ILE 1.10 -0.62 1
30 GLU 1.75 -0.21 1
32 VAL 2.17 -1.92 1
35 LYS 4.60 -1.28 1
36 ARG 4.10 -0.63 1
37 ARG 5.59 -1.00 1
38 GLN 4.29 -0.99 1
39 MET 4.23 -0.60 1
40 LEU 3.14 0.36 1
41 LEU 4.33 -1.16 1
42 LYS 3.67 -0.50 1
43 TYR 3.43 0.40 1
44 MET -0.71 -0.32 1
47 LEU 3.58 -0.63 1
48 GLN 4.79 -1.58 1
50 LEU 3.24 -0.64 1
51 ARG 3.92 -0.60 1
52 ASN -1.22 0.90 1
53 ALA -1.74 1.56 1
54 SER -3.77 2.02 1
55 VAL 6.65 -1.56 1
56 GLU 3.81 -0.81 1
57 GLU 2.27 0.19 1
58 ILE 4.94 -0.48 1
59 ALA 1.63 -1.21 1
60 LYS 0.51 -0.31 1
61 VAL 2.55 -1.16 1
65 SER -2.99 1.74 1
66 GLN 5.56 -1.62 1
68 LEU 2.95 -0.92 1
69 ALA 3.63 -0.43 1
70 GLU 3.49 -0.17 1
71 LYS 3.88 -0.43 1
72 ILE 4.97 -0.43 1
73 PHE 3.13 1.03 1
74 TRP 2.90 -0.30 1
75 SER 4.44 -0.88 1
76 LEU 0.68 -0.33 1
77 LYS -0.07 -0.38 1
78 HIS 0.81 1.40 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5217_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -3.77
_LACS_plot.Line_1_terminator_val_y_1 0.23
_LACS_plot.Line_1_terminator_val_x_2 1.99
_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 0.10
_LACS_plot.Line_2_terminator_val_x_2 6.65
_LACS_plot.Line_2_terminator_val_y_2 -0.65
_LACS_plot.Y_axis_chem_shift_offset 0.08
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
61 VAL 2.55 -1.02 0
14 LEU 0.11 -0.01 1
15 VAL -0.17 -0.10 1
17 ARG 0.35 0.04 1
19 SER -0.10 -0.07 1
24 SER 0.90 -0.20 1
25 SER 0.87 -0.07 1
26 LEU 1.68 -0.20 1
27 GLU 1.90 -0.48 1
28 THR 0.71 -0.05 1
29 ILE 1.10 -0.16 1
30 GLU 1.75 -0.35 1
32 VAL 2.17 -0.04 1
35 LYS 4.60 -0.16 1
36 ARG 4.10 -0.27 1
37 ARG 5.59 -0.67 1
38 GLN 4.29 -0.33 1
39 MET 4.23 -0.20 1
40 LEU 3.14 -0.38 1
41 LEU 4.33 -0.57 1
42 LYS 3.67 -0.23 1
43 TYR 3.43 -0.43 1
44 MET -0.71 0.19 1
47 LEU 3.58 -0.46 1
48 GLN 4.79 -0.43 1
50 LEU 3.24 -0.24 1
51 ARG 3.92 -0.50 1
52 ASN -1.22 0.08 1
53 ALA -1.74 0.23 1
54 SER -3.77 0.15 1
55 VAL 6.65 -0.88 1
56 GLU 3.81 -0.48 1
57 GLU 2.27 -0.45 1
58 ILE 4.94 -0.69 1
59 ALA 1.63 -0.43 1
60 LYS 0.51 -0.16 1
64 ILE 1.35 0.00 1
65 SER -2.99 0.04 1
66 GLN 5.56 -0.54 1
68 LEU 2.95 -0.09 1
69 ALA 3.63 -0.52 1
70 GLU 3.49 -0.40 1
71 LYS 3.88 -0.06 1
72 ILE 4.97 -0.65 1
73 PHE 3.13 -0.76 1
74 TRP 2.90 -0.31 1
75 SER 4.44 -0.10 1
76 LEU 0.68 -0.14 1
77 LYS -0.07 -0.18 1
78 HIS 0.81 -0.35 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5217_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -3.77
_LACS_plot.Line_1_terminator_val_y_1 -0.94
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 0.69
_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 6.65
_LACS_plot.Line_2_terminator_val_y_2 1.64
_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
54 SER -3.77 2.74 0
14 LEU 0.11 -3.76 1
15 VAL -0.17 2.18 1
17 ARG 0.35 0.57 1
25 SER 0.87 0.37 1
26 LEU 1.68 -2.33 1
27 GLU 1.90 0.94 1
28 THR 0.71 2.11 1
29 ILE 1.10 -1.90 1
30 GLU 1.75 -0.64 1
32 VAL 2.17 -2.14 1
35 LYS 4.60 2.61 1
36 ARG 4.10 3.29 1
37 ARG 5.59 1.91 1
38 GLN 4.29 1.22 1
39 MET 4.23 2.65 1
40 LEU 3.14 0.70 1
41 LEU 4.33 0.60 1
42 LYS 3.67 -0.95 1
43 TYR 3.43 3.58 1
44 MET -0.71 1.80 1
47 LEU 3.58 -4.40 1
48 GLN 4.79 2.60 1
50 LEU 3.24 -0.23 1
51 ARG 3.92 2.02 1
52 ASN -1.22 1.32 1
53 ALA -1.74 -3.22 1
55 VAL 6.65 -1.21 1
56 GLU 3.81 0.37 1
57 GLU 2.27 2.27 1
58 ILE 4.94 3.20 1
59 ALA 1.63 -1.23 1
60 LYS 0.51 0.53 1
61 VAL 2.55 2.55 1
64 ILE 1.35 -2.04 1
65 SER -2.99 -0.64 1
66 GLN 5.56 -1.72 1
68 LEU 2.95 -0.49 1
69 ALA 3.63 0.33 1
70 GLU 3.49 2.71 1
71 LYS 3.88 1.54 1
72 ILE 4.97 4.05 1
73 PHE 3.13 0.98 1
74 TRP 2.90 3.19 1
75 SER 4.44 2.95 1
76 LEU 0.68 -1.95 1
77 LYS -0.07 0.63 1
78 HIS 0.81 1.45 1
stop_
save_