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 bmr5347_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.40
_LACS_plot.Line_1_terminator_val_y_1 -2.74
_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 -1.41
_LACS_plot.Line_2_terminator_val_x_2 7.10
_LACS_plot.Line_2_terminator_val_y_2 5.56
_LACS_plot.Y_axis_chem_shift_offset -0.04
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
132 ALA -3.17 2.65 0
10 GLU -2.84 -1.09 1
12 ILE 0.15 -0.03 1
13 VAL 4.44 2.85 1
15 ALA -1.99 -1.76 1
16 GLU -0.34 0.81 1
17 THR -0.84 -0.51 1
18 PHE -3.24 -1.53 1
19 TYR 0.54 -0.72 1
20 VAL -3.84 -3.25 1
21 ASP -5.27 -0.54 1
23 ALA -3.51 0.16 1
24 ALA -5.74 -1.97 1
25 ASN -2.20 -0.66 1
26 ARG 3.31 2.76 1
27 GLU 2.05 2.23 1
28 THR -0.33 0.05 1
29 LYS 5.65 1.75 1
30 LEU -2.33 -0.82 1
32 LYS -6.26 -1.13 1
33 ALA -6.92 -2.27 1
35 TYR -7.22 -2.55 1
36 VAL -4.38 -1.14 1
37 THR -7.40 -4.18 1
38 ASN 2.51 1.16 1
39 ARG 0.05 -0.72 1
41 ARG -0.58 0.53 1
42 GLN -4.38 -0.96 1
43 LYS -1.76 0.11 1
44 VAL -4.09 -1.67 1
45 VAL -4.61 -2.61 1
46 THR 0.37 0.44 1
47 LEU -4.59 -1.42 1
48 THR -2.59 -1.57 1
49 ASP 2.28 0.94 1
50 THR -2.34 -1.80 1
51 THR -6.48 -3.12 1
52 ASN 5.01 4.68 1
53 GLN 5.57 4.28 1
54 LYS 4.88 4.33 1
55 THR 6.30 4.79 1
56 GLU 4.31 3.13 1
57 LEU 2.66 2.50 1
58 GLN 5.11 3.04 1
59 ALA 3.42 3.43 1
60 ILE 5.21 4.34 1
61 TYR 4.37 3.38 1
62 LEU 2.35 2.70 1
63 ALA 1.28 1.38 1
64 LEU 3.50 2.54 1
65 GLN 2.92 3.32 1
66 ASP 2.06 0.45 1
67 SER -5.87 -2.14 1
69 LEU 2.05 2.50 1
70 GLU -3.45 -0.99 1
71 VAL -3.02 -1.11 1
72 ASN -4.05 -1.25 1
73 ILE -2.43 -0.26 1
74 VAL -2.20 -1.36 1
75 THR -3.98 -3.60 1
76 ASP -1.89 -1.47 1
77 SER -0.49 -1.52 1
78 GLN 4.56 3.27 1
79 TYR 2.65 2.49 1
80 ALA 2.55 2.15 1
81 LEU 3.58 2.94 1
83 ILE 3.43 1.89 1
84 ILE 4.10 3.05 1
85 GLN 2.78 2.10 1
86 ALA 0.66 0.47 1
87 GLN 2.87 1.68 1
89 ASP -0.24 0.06 1
90 GLN 0.09 0.23 1
91 SER 0.07 0.22 1
92 GLU 0.91 0.39 1
93 SER -0.10 -0.97 1
94 GLU 3.57 2.88 1
95 LEU 2.29 2.39 1
96 VAL 7.11 5.26 1
97 ASN 4.85 3.76 1
98 GLN 4.81 3.41 1
99 ILE 5.53 5.23 1
100 ILE 6.09 4.74 1
101 GLU 3.50 3.13 1
102 GLN 1.80 2.08 1
103 LEU 4.15 3.55 1
104 ILE 3.69 3.47 1
105 LYS 0.73 0.90 1
106 LYS -1.22 -1.84 1
107 GLU 1.20 1.92 1
108 LYS -6.46 -0.05 1
109 VAL -3.73 -1.67 1
110 TYR -3.26 -1.63 1
111 LEU -5.74 -2.31 1
112 ALA -5.72 -1.72 1
113 TRP -5.90 -2.41 1
114 VAL -3.22 -1.22 1
118 LYS -0.08 -0.23 1
120 ILE 0.64 0.21 1
123 ASN 1.44 4.38 1
134 ILE -0.13 -0.43 1
135 ARG -0.75 -0.26 1
136 LYS 0.02 0.18 1
137 VAL 0.30 0.22 1
138 LEU 0.61 1.65 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5347_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.40
_LACS_plot.Line_1_terminator_val_y_1 4.66
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 -1.30
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.59
_LACS_plot.Line_2_terminator_val_x_2 7.10
_LACS_plot.Line_2_terminator_val_y_2 -1.54
_LACS_plot.Y_axis_chem_shift_offset -0.04
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
132 ALA -3.17 5.82 0
10 GLU -2.84 1.75 1
12 ILE 0.15 -0.18 1
13 VAL 4.44 -1.59 1
15 ALA -1.99 0.23 1
16 GLU -0.34 1.15 1
17 THR -0.84 0.33 1
18 PHE -3.24 1.71 1
19 TYR 0.54 -1.26 1
20 VAL -3.84 0.59 1
21 ASP -5.27 4.73 1
23 ALA -3.51 3.67 1
24 ALA -5.74 3.77 1
25 ASN -2.20 1.54 1
26 ARG 3.31 -0.55 1
27 GLU 2.05 0.18 1
28 THR -0.33 0.38 1
29 LYS 5.65 -3.90 1
30 LEU -2.33 1.51 1
32 LYS -6.26 5.13 1
33 ALA -6.92 4.65 1
35 TYR -7.22 4.67 1
36 VAL -4.38 3.24 1
37 THR -7.40 3.22 1
38 ASN 2.51 -1.35 1
39 ARG 0.05 -0.77 1
41 ARG -0.58 1.11 1
42 GLN -4.38 3.42 1
43 LYS -1.76 1.87 1
44 VAL -4.09 2.42 1
45 VAL -4.61 2.00 1
46 THR 0.37 0.07 1
47 LEU -4.59 3.17 1
48 THR -2.59 1.02 1
49 ASP 2.28 -1.34 1
50 THR -2.34 0.54 1
51 THR -6.48 3.36 1
52 ASN 5.01 -0.33 1
53 GLN 5.57 -1.29 1
54 LYS 4.88 -0.55 1
55 THR 6.30 -1.51 1
56 GLU 4.31 -1.18 1
57 LEU 2.66 -0.16 1
58 GLN 5.11 -2.07 1
59 ALA 3.42 0.01 1
60 ILE 5.21 -0.87 1
61 TYR 4.37 -0.99 1
62 LEU 2.35 0.35 1
63 ALA 1.28 0.10 1
64 LEU 3.50 -0.96 1
65 GLN 2.92 0.40 1
66 ASP 2.06 -1.61 1
67 SER -5.87 3.73 1
69 LEU 2.05 0.45 1
70 GLU -3.45 2.46 1
71 VAL -3.02 1.91 1
72 ASN -4.05 2.80 1
73 ILE -2.43 2.17 1
74 VAL -2.20 0.84 1
75 THR -3.98 0.38 1
76 ASP -1.89 0.42 1
77 SER -0.49 -1.03 1
78 GLN 4.56 -1.29 1
79 TYR 2.65 -0.16 1
80 ALA 2.55 -0.40 1
81 LEU 3.58 -0.64 1
83 ILE 3.43 -1.54 1
84 ILE 4.10 -1.05 1
85 GLN 2.78 -0.68 1
86 ALA 0.66 -0.19 1
87 GLN 2.87 -1.19 1
89 ASP -0.24 0.30 1
90 GLN 0.09 0.14 1
91 SER 0.07 0.15 1
92 GLU 0.91 -0.52 1
93 SER -0.10 -0.87 1
94 GLU 3.57 -0.69 1
95 LEU 2.29 0.10 1
96 VAL 7.11 -1.85 1
97 ASN 4.85 -1.09 1
98 GLN 4.81 -1.40 1
99 ILE 5.53 -0.30 1
100 ILE 6.09 -1.35 1
101 GLU 3.50 -0.37 1
102 GLN 1.80 0.28 1
103 LEU 4.15 -0.60 1
104 ILE 3.69 -0.22 1
105 LYS 0.73 0.17 1
106 LYS -1.22 -0.62 1
107 GLU 1.20 0.72 1
108 LYS -6.46 6.41 1
109 VAL -3.73 2.06 1
110 TYR -3.26 1.63 1
111 LEU -5.74 3.43 1
112 ALA -5.72 4.00 1
113 TRP -5.90 3.49 1
114 VAL -3.22 2.00 1
118 LYS -0.08 -0.15 1
120 ILE 0.64 -0.43 1
123 ASN 1.44 2.94 1
134 ILE -0.13 -0.30 1
135 ARG -0.75 0.49 1
136 LYS 0.02 0.16 1
137 VAL 0.30 -0.08 1
138 LEU 0.61 1.04 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5347_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.40
_LACS_plot.Line_1_terminator_val_y_1 1.08
_LACS_plot.Line_1_terminator_val_x_2 1.99
_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 0.32
_LACS_plot.Line_2_terminator_val_x_2 7.10
_LACS_plot.Line_2_terminator_val_y_2 -0.83
_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
63 ALA 1.28 -1.06 0
67 SER -5.87 0.07 0
37 THR -7.40 1.91 0
10 GLU -2.84 -0.09 1
12 ILE 0.15 -0.29 1
13 VAL 4.44 -0.48 1
15 ALA -1.99 0.24 1
16 GLU -0.34 -0.10 1
17 THR -0.84 0.96 1
18 PHE -3.24 -0.30 1
19 TYR 0.54 0.49 1
20 VAL -3.84 1.42 1
21 ASP -5.27 0.45 1
23 ALA -3.51 0.38 1
24 ALA -5.74 0.77 1
25 ASN -2.20 0.13 1
26 ARG 3.31 -0.21 1
27 GLU 2.05 -0.05 1
28 THR -0.33 -0.07 1
29 LYS 5.65 -0.45 1
30 LEU -2.33 0.54 1
32 LYS -6.26 1.18 1
33 ALA -6.92 0.97 1
35 TYR -7.22 1.42 1
36 VAL -4.38 1.04 1
38 ASN 2.51 -0.16 1
39 ARG 0.05 0.30 1
41 ARG -0.58 0.36 1
42 GLN -4.38 0.87 1
43 LYS -1.76 0.02 1
44 VAL -4.09 0.79 1
45 VAL -4.61 0.60 1
46 THR 0.37 0.59 1
47 LEU -4.59 0.43 1
48 THR -2.59 0.31 1
49 ASP 2.28 -0.33 1
50 THR -2.34 0.52 1
52 ASN 5.01 -0.81 1
53 GLN 5.57 -0.63 1
54 LYS 4.88 -0.42 1
55 THR 6.30 -0.55 1
56 GLU 4.31 -0.44 1
57 LEU 2.66 -0.27 1
58 GLN 5.11 -0.31 1
59 ALA 3.42 -0.32 1
60 ILE 5.21 -0.63 1
61 TYR 4.37 -0.52 1
62 LEU 2.35 -0.50 1
64 LEU 3.50 -0.96 1
65 GLN 2.92 -0.66 1
66 ASP 2.06 0.13 1
69 LEU 2.05 -0.27 1
70 GLU -3.45 1.45 1
71 VAL -3.02 0.52 1
72 ASN -4.05 1.19 1
73 ILE -2.43 0.72 1
74 VAL -2.20 0.77 1
75 THR -3.98 0.84 1
76 ASP -1.89 0.78 1
77 SER -0.49 0.38 1
78 GLN 4.56 -0.73 1
79 TYR 2.65 -0.42 1
80 ALA 2.55 -0.77 1
81 LEU 3.58 -0.58 1
83 ILE 3.43 -0.40 1
84 ILE 4.10 -0.55 1
85 GLN 2.78 -0.18 1
86 ALA 0.66 -0.07 1
87 GLN 2.87 0.19 1
89 ASP -0.24 -0.06 1
90 GLN 0.09 0.02 1
91 SER 0.07 -0.06 1
92 GLU 0.91 -0.04 1
93 SER -0.10 -0.03 1
94 GLU 3.57 -0.26 1
95 LEU 2.29 -0.28 1
96 VAL 7.11 -0.78 1
97 ASN 4.85 -0.33 1
98 GLN 4.81 -0.27 1
99 ILE 5.53 -0.66 1
100 ILE 6.09 -0.78 1
101 GLU 3.50 -0.44 1
102 GLN 1.80 -0.41 1
103 LEU 4.15 -0.77 1
104 ILE 3.69 -0.37 1
105 LYS 0.73 -0.11 1
106 LYS -1.22 -0.06 1
107 GLU 1.20 0.06 1
108 LYS -6.46 0.62 1
109 VAL -3.73 0.79 1
110 TYR -3.26 0.32 1
111 LEU -5.74 0.95 1
112 ALA -5.72 0.11 1
113 TRP -5.90 0.47 1
114 VAL -3.22 1.19 1
118 LYS -0.08 0.54 1
120 ILE 0.64 -0.07 1
123 ASN 1.44 -0.35 1
132 ALA -3.17 -0.01 1
134 ILE -0.13 0.00 1
135 ARG -0.75 0.11 1
136 LYS 0.02 -0.04 1
137 VAL 0.30 -0.01 1
138 LEU 0.61 -0.09 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr5347_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -7.40
_LACS_plot.Line_1_terminator_val_y_1 -3.11
_LACS_plot.Line_1_terminator_val_x_2 1.99
_LACS_plot.Line_1_terminator_val_y_2 0.70
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.01
_LACS_plot.Line_2_terminator_val_x_2 7.10
_LACS_plot.Line_2_terminator_val_y_2 2.69
_LACS_plot.Y_axis_chem_shift_offset 0.15
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
71 VAL -3.02 -6.08 0
29 LYS 5.65 -2.98 0
37 THR -7.40 1.97 0
12 ILE 0.15 1.96 1
13 VAL 4.44 1.28 1
15 ALA -1.99 -1.17 1
16 GLU -0.34 -1.77 1
17 THR -0.84 -1.83 1
18 PHE -3.24 -2.83 1
19 TYR 0.54 0.15 1
20 VAL -3.84 -0.73 1
21 ASP -5.27 -3.34 1
23 ALA -3.51 -2.76 1
24 ALA -5.74 -2.42 1
25 ASN -2.20 1.50 1
26 ARG 3.31 0.40 1
27 GLU 2.05 1.81 1
28 THR -0.33 1.32 1
30 LEU -2.33 -0.49 1
32 LYS -6.26 -2.28 1
33 ALA -6.92 -2.15 1
35 TYR -7.22 -1.75 1
36 VAL -4.38 -0.55 1
38 ASN 2.51 0.35 1
39 ARG 0.05 0.02 1
41 ARG -0.58 -1.07 1
42 GLN -4.38 -1.97 1
44 VAL -4.09 -1.78 1
45 VAL -4.61 -1.75 1
46 THR 0.37 -0.71 1
47 LEU -4.59 -2.62 1
48 THR -2.59 -1.13 1
49 ASP 2.28 -1.24 1
50 THR -2.34 -0.90 1
52 ASN 5.01 2.19 1
53 GLN 5.57 1.74 1
54 LYS 4.88 3.21 1
55 THR 6.30 2.11 1
56 GLU 4.31 3.52 1
57 LEU 2.66 1.39 1
58 GLN 5.11 1.84 1
59 ALA 3.42 0.76 1
60 ILE 5.21 0.60 1
61 TYR 4.37 0.99 1
62 LEU 2.35 0.43 1
63 ALA 1.28 1.53 1
64 LEU 3.50 0.12 1
65 GLN 2.92 2.33 1
66 ASP 2.06 -1.09 1
67 SER -5.87 1.24 1
69 LEU 2.05 -1.08 1
70 GLU -3.45 -1.60 1
72 ASN -4.05 -0.98 1
73 ILE -2.43 -3.41 1
74 VAL -2.20 -1.12 1
75 THR -3.98 -3.59 1
76 ASP -1.89 1.64 1
77 SER -0.49 0.64 1
78 GLN 4.56 2.78 1
79 TYR 2.65 1.17 1
80 ALA 2.55 0.89 1
81 LEU 3.58 1.00 1
83 ILE 3.43 1.18 1
84 ILE 4.10 2.21 1
85 GLN 2.78 0.40 1
86 ALA 0.66 -1.00 1
89 ASP -0.24 0.04 1
90 GLN 0.09 -0.52 1
91 SER 0.07 0.43 1
92 GLU 0.91 -0.16 1
93 SER -0.10 0.57 1
94 GLU 3.57 1.48 1
95 LEU 2.29 1.06 1
96 VAL 7.11 1.26 1
97 ASN 4.85 3.09 1
98 GLN 4.81 3.35 1
99 ILE 5.53 0.85 1
100 ILE 6.09 0.76 1
101 GLU 3.50 2.74 1
102 GLN 1.80 2.76 1
103 LEU 4.15 1.66 1
104 ILE 3.69 0.30 1
105 LYS 0.73 1.08 1
106 LYS -1.22 0.76 1
107 GLU 1.20 1.21 1
108 LYS -6.46 -2.35 1
109 VAL -3.73 -3.35 1
110 TYR -3.26 -3.52 1
111 LEU -5.74 -3.53 1
112 ALA -5.72 -3.43 1
113 TRP -5.90 -2.30 1
118 LYS -0.08 -0.18 1
120 ILE 0.64 0.71 1
132 ALA -3.17 -0.11 1
134 ILE -0.13 -0.56 1
135 ARG -0.75 -0.77 1
136 LYS 0.02 -0.54 1
137 VAL 0.30 -1.30 1
stop_
save_