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 bmr5902_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.45
_LACS_plot.Line_1_terminator_val_y_1 -2.48
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.64
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.65
_LACS_plot.Line_2_terminator_val_x_2 6.34
_LACS_plot.Line_2_terminator_val_y_2 4.44
_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
35 HIS 4.60 5.59 0
11 MET 0.36 -0.02 1
12 SER 0.13 0.04 1
13 ARG 0.51 0.23 1
14 SER 0.37 0.17 1
15 ASN 0.33 0.09 1
16 ARG 0.47 0.09 1
17 GLN 0.34 0.08 1
18 LYS 0.15 -0.11 1
19 GLU -1.75 -0.92 1
20 TYR -2.17 0.12 1
21 LYS -4.70 -2.42 1
24 ASP 1.38 1.37 1
25 LEU -0.44 -1.54 1
26 VAL -6.76 -3.01 1
27 PHE -2.11 0.86 1
28 ALA -7.28 -2.84 1
29 LYS -4.08 -2.44 1
30 MET -4.70 -2.01 1
31 LYS 3.50 2.18 1
33 TYR -2.53 -0.17 1
36 TRP -4.07 0.08 1
38 ALA -4.36 -0.13 1
39 ARG -7.45 -2.65 1
40 ILE 2.17 -1.33 1
41 ASP -2.01 -0.12 1
42 GLU -3.11 -0.59 1
43 MET 0.09 -0.42 1
45 GLU 0.15 0.13 1
46 ALA 0.49 0.38 1
47 ALA 0.22 0.33 1
48 VAL 0.89 0.20 1
49 LYS 1.66 0.98 1
50 SER 1.11 0.59 1
51 THR 0.89 -0.13 1
52 ALA 0.25 0.14 1
53 ASN 0.65 -0.02 1
54 LYS -3.55 -1.06 1
55 TYR -1.53 -0.51 1
56 GLN -0.13 0.25 1
57 VAL -1.88 -1.30 1
58 PHE -3.61 -1.91 1
59 PHE 0.37 -0.68 1
60 PHE 2.16 2.38 1
62 THR 2.04 0.17 1
63 HIS 2.77 -0.58 1
64 GLU -2.88 -1.42 1
65 THR -3.14 -1.20 1
66 ALA -5.83 -1.71 1
67 PHE -1.35 -1.13 1
68 LEU -6.57 -1.44 1
71 LYS 3.92 2.08 1
72 ASP -2.36 0.06 1
73 LEU -5.06 -1.72 1
74 PHE -3.42 -0.91 1
76 TYR 4.04 4.42 1
77 GLU 5.19 3.59 1
78 GLU 1.09 1.28 1
79 SER -0.55 -0.01 1
80 LYS 6.11 4.16 1
81 GLU 3.45 2.06 1
82 LYS 2.17 1.49 1
83 PHE -0.94 -2.84 1
85 LYS -0.01 -0.61 1
87 ASN -2.43 -0.35 1
88 LYS 1.29 0.29 1
89 ARG 1.20 -0.35 1
90 LYS 3.66 2.45 1
92 PHE 5.65 5.45 1
93 SER 5.72 4.01 1
94 GLU 2.68 1.37 1
96 LEU 6.27 4.76 1
97 TRP 2.77 3.29 1
98 GLU 6.35 4.09 1
99 ILE -0.72 0.42 1
100 GLU -0.33 1.22 1
101 ASN 0.18 0.15 1
102 ASN 0.65 -0.90 1
104 THR 2.08 0.33 1
105 VAL -2.15 -1.35 1
106 LYS 0.11 0.11 1
107 ALA 0.06 -0.03 1
108 SER 0.69 1.19 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5902_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.45
_LACS_plot.Line_1_terminator_val_y_1 4.97
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.36
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.35
_LACS_plot.Line_2_terminator_val_x_2 6.34
_LACS_plot.Line_2_terminator_val_y_2 -1.90
_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
35 HIS 4.60 0.99 0
11 MET 0.36 -0.38 1
12 SER 0.13 -0.09 1
13 ARG 0.51 -0.28 1
14 SER 0.37 -0.20 1
15 ASN 0.33 -0.24 1
16 ARG 0.47 -0.38 1
17 GLN 0.34 -0.26 1
18 LYS 0.15 -0.26 1
19 GLU -1.75 0.83 1
20 TYR -2.17 2.29 1
21 LYS -4.70 2.28 1
24 ASP 1.38 -0.01 1
25 LEU -0.44 -1.10 1
26 VAL -6.76 3.75 1
27 PHE -2.11 2.97 1
28 ALA -7.28 4.44 1
29 LYS -4.08 1.64 1
30 MET -4.70 2.69 1
31 LYS 3.50 -1.32 1
33 TYR -2.53 2.36 1
36 TRP -4.07 4.15 1
38 ALA -4.36 4.23 1
39 ARG -7.45 4.80 1
40 ILE 2.17 -3.50 1
41 ASP -2.01 1.89 1
42 GLU -3.11 2.52 1
43 MET 0.09 -0.51 1
45 GLU 0.15 -0.02 1
46 ALA 0.49 -0.11 1
47 ALA 0.22 0.11 1
48 VAL 0.89 -0.69 1
49 LYS 1.66 -0.68 1
50 SER 1.11 -0.52 1
51 THR 0.89 -1.02 1
52 ALA 0.25 -0.11 1
53 ASN 0.65 -0.67 1
54 LYS -3.55 2.49 1
55 TYR -1.53 1.02 1
56 GLN -0.13 0.38 1
57 VAL -1.88 0.58 1
58 PHE -3.61 1.70 1
59 PHE 0.37 -1.05 1
60 PHE 2.16 0.22 1
62 THR 2.04 -1.87 1
63 HIS 2.77 -3.35 1
64 GLU -2.88 1.46 1
65 THR -3.14 1.94 1
66 ALA -5.83 4.12 1
67 PHE -1.35 0.22 1
68 LEU -6.57 5.13 1
71 LYS 3.92 -1.84 1
72 ASP -2.36 2.42 1
73 LEU -5.06 3.34 1
74 PHE -3.42 2.51 1
76 TYR 4.04 0.38 1
77 GLU 5.19 -1.60 1
78 GLU 1.09 0.19 1
79 SER -0.55 0.54 1
80 LYS 6.11 -1.95 1
81 GLU 3.45 -1.39 1
82 LYS 2.17 -0.68 1
83 PHE -0.94 -1.90 1
85 LYS -0.01 -0.60 1
87 ASN -2.43 2.08 1
88 LYS 1.29 -1.00 1
89 ARG 1.20 -1.55 1
90 LYS 3.66 -1.21 1
92 PHE 5.65 -0.20 1
93 SER 5.72 -1.71 1
94 GLU 2.68 -1.31 1
96 LEU 6.27 -1.51 1
97 TRP 2.77 0.52 1
98 GLU 6.35 -2.26 1
99 ILE -0.72 1.14 1
100 GLU -0.33 1.55 1
101 ASN 0.18 -0.03 1
102 ASN 0.65 -1.55 1
104 THR 2.08 -1.75 1
105 VAL -2.15 0.80 1
106 LYS 0.11 0.00 1
107 ALA 0.06 -0.09 1
108 SER 0.69 0.50 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5902_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.45
_LACS_plot.Line_1_terminator_val_y_1 0.80
_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 0.14
_LACS_plot.Line_2_terminator_val_x_2 6.34
_LACS_plot.Line_2_terminator_val_y_2 -0.54
_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
67 PHE -1.35 1.15 0
98 GLU 6.35 -1.69 0
11 MET 0.36 -0.01 1
12 SER 0.13 0.01 1
13 ARG 0.51 0.06 1
14 SER 0.37 -0.01 1
15 ASN 0.33 0.00 1
16 ARG 0.47 -0.02 1
17 GLN 0.34 -0.04 1
18 LYS 0.15 -0.13 1
19 GLU -1.75 0.01 1
20 TYR -2.17 0.04 1
21 LYS -4.70 0.57 1
24 ASP 1.38 -0.02 1
25 LEU -0.44 0.80 1
26 VAL -6.76 1.23 1
27 PHE -2.11 0.62 1
28 ALA -7.28 1.24 1
29 LYS -4.08 0.33 1
30 MET -4.70 0.21 1
31 LYS 3.50 -0.23 1
33 TYR -2.53 0.09 1
35 HIS 4.60 -0.80 1
36 TRP -4.07 0.47 1
38 ALA -4.36 0.72 1
39 ARG -7.45 1.00 1
40 ILE 2.17 -0.09 1
41 ASP -2.01 0.61 1
42 GLU -3.11 0.27 1
43 MET 0.09 0.10 1
45 GLU 0.15 -0.13 1
46 ALA 0.49 -0.09 1
47 ALA 0.22 -0.07 1
48 VAL 0.89 -0.03 1
49 LYS 1.66 -0.07 1
50 SER 1.11 -0.02 1
51 THR 0.89 -0.06 1
52 ALA 0.25 -0.02 1
53 ASN 0.65 -0.23 1
54 LYS -3.55 0.22 1
55 TYR -1.53 -0.08 1
56 GLN -0.13 -0.14 1
57 VAL -1.88 0.45 1
58 PHE -3.61 0.11 1
59 PHE 0.37 -0.31 1
60 PHE 2.16 -0.19 1
62 THR 2.04 -0.34 1
63 HIS 2.77 -1.01 1
64 GLU -2.88 0.03 1
65 THR -3.14 1.28 1
66 ALA -5.83 0.20 1
68 LEU -6.57 0.66 1
71 LYS 3.92 -0.17 1
72 ASP -2.36 0.42 1
73 LEU -5.06 0.81 1
74 PHE -3.42 0.20 1
76 TYR 4.04 -0.24 1
77 GLU 5.19 -0.80 1
78 GLU 1.09 -0.09 1
79 SER -0.55 0.12 1
80 LYS 6.11 -0.48 1
81 GLU 3.45 -0.35 1
82 LYS 2.17 -0.40 1
83 PHE -0.94 0.21 1
85 LYS -0.01 0.03 1
87 ASN -2.43 -0.10 1
88 LYS 1.29 0.05 1
89 ARG 1.20 -0.01 1
90 LYS 3.66 -0.07 1
92 PHE 5.65 -1.20 1
93 SER 5.72 -0.18 1
94 GLU 2.68 -0.42 1
96 LEU 6.27 -0.58 1
97 TRP 2.77 -0.93 1
99 ILE -0.72 -0.34 1
100 GLU -0.33 -0.30 1
101 ASN 0.18 -0.02 1
102 ASN 0.65 -0.02 1
104 THR 2.08 -0.27 1
105 VAL -2.15 -0.23 1
106 LYS 0.11 -0.04 1
107 ALA 0.06 -0.01 1
108 SER 0.69 -0.13 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5902_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -7.45
_LACS_plot.Line_1_terminator_val_y_1 -2.63
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.32
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.17
_LACS_plot.Line_2_terminator_val_x_2 6.34
_LACS_plot.Line_2_terminator_val_y_2 2.13
_LACS_plot.Y_axis_chem_shift_offset 0.34
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
98 GLU 6.35 -3.01 0
11 MET 0.36 -0.06 1
12 SER 0.13 -0.04 1
13 ARG 0.51 0.07 1
14 SER 0.37 -0.33 1
15 ASN 0.33 -0.23 1
16 ARG 0.47 -0.34 1
17 GLN 0.34 -0.56 1
18 LYS 0.15 -1.21 1
19 GLU -1.75 -1.45 1
20 TYR -2.17 -1.86 1
21 LYS -4.70 -0.98 1
24 ASP 1.38 -1.43 1
25 LEU -0.44 0.05 1
26 VAL -6.76 -0.84 1
27 PHE -2.11 -0.85 1
28 ALA -7.28 -0.63 1
29 LYS -4.08 -4.05 1
30 MET -4.70 -0.68 1
31 LYS 3.50 1.13 1
33 TYR -2.53 -2.10 1
35 HIS 4.60 1.73 1
36 TRP -4.07 -0.21 1
38 ALA -4.36 -3.53 1
39 ARG -7.45 -1.62 1
40 ILE 2.17 -1.40 1
41 ASP -2.01 -0.09 1
42 GLU -3.11 -1.35 1
43 MET 0.09 -0.52 1
45 GLU 0.15 -0.33 1
46 ALA 0.49 -0.23 1
47 ALA 0.22 -0.15 1
48 VAL 0.89 -0.07 1
49 LYS 1.66 0.42 1
50 SER 1.11 0.43 1
51 THR 0.89 -0.77 1
52 ALA 0.25 -0.78 1
53 ASN 0.65 -1.29 1
54 LYS -3.55 -1.84 1
55 TYR -1.53 -1.04 1
56 GLN -0.13 -1.75 1
57 VAL -1.88 -3.75 1
58 PHE -3.61 -2.12 1
59 PHE 0.37 -0.35 1
60 PHE 2.16 1.53 1
62 THR 2.04 1.14 1
63 HIS 2.77 -0.52 1
64 GLU -2.88 -2.50 1
65 THR -3.14 -0.71 1
66 ALA -5.83 -3.59 1
67 PHE -1.35 -0.05 1
68 LEU -6.57 -1.88 1
71 LYS 3.92 -0.12 1
72 ASP -2.36 -3.27 1
73 LEU -5.06 -2.55 1
74 PHE -3.42 -0.99 1
76 TYR 4.04 0.53 1
77 GLU 5.19 2.72 1
78 GLU 1.09 0.79 1
79 SER -0.55 -0.11 1
80 LYS 6.11 1.28 1
81 GLU 3.45 0.21 1
82 LYS 2.17 1.35 1
83 PHE -0.94 0.81 1
85 LYS -0.01 -1.40 1
87 ASN -2.43 -0.88 1
88 LYS 1.29 0.49 1
89 ARG 1.20 1.09 1
90 LYS 3.66 0.31 1
92 PHE 5.65 1.48 1
93 SER 5.72 2.20 1
94 GLU 2.68 1.69 1
96 LEU 6.27 3.45 1
97 TRP 2.77 1.69 1
99 ILE -0.72 0.47 1
100 GLU -0.33 -0.74 1
101 ASN 0.18 0.79 1
102 ASN 0.65 0.02 1
104 THR 2.08 -3.91 1
105 VAL -2.15 -0.57 1
106 LYS 0.11 -0.25 1
107 ALA 0.06 0.04 1
108 SER 0.69 4.40 1
stop_
save_