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 bmr6052_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.90
_LACS_plot.Line_1_terminator_val_y_1 -2.79
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.93
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.20
_LACS_plot.Line_2_terminator_val_x_2 6.70
_LACS_plot.Line_2_terminator_val_y_2 4.98
_LACS_plot.Y_axis_chem_shift_offset -0.20
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
102 PHE -0.30 -3.30 0
11 MET 0.10 0.30 1
12 GLU -4.19 -0.99 1
13 THR -0.10 0.10 1
14 ASP 0.40 0.40 1
16 ASN -0.20 0.10 1
18 MET 1.00 0.60 1
19 GLU -2.60 0.00 1
20 LEU 0.40 0.50 1
21 SER 0.60 0.60 1
22 SER 0.40 0.40 1
23 MET 0.30 0.30 1
24 SER 0.60 0.70 1
26 PHE -0.00 0.10 1
27 GLU -0.40 0.00 1
28 GLU -0.10 0.30 1
30 SER 0.00 0.30 1
31 GLU 0.40 0.40 1
32 LEU 0.50 0.30 1
33 ASN 0.20 0.40 1
35 PHE 0.20 0.20 1
36 GLU 0.10 0.50 1
38 THR -0.30 0.00 1
39 ASP 0.30 0.30 1
40 MET 0.00 0.20 1
41 LYS -0.90 -0.30 1
42 ASP -2.30 -1.30 1
43 MET 1.20 1.00 1
44 ARG 5.10 4.00 1
45 LEU 2.80 1.80 1
46 GLU 2.60 2.00 1
47 ALA 3.20 2.80 1
48 GLU 2.90 2.40 1
49 ALA 3.90 2.70 1
50 VAL 5.60 4.20 1
51 VAL 5.50 4.00 1
52 ASN 2.90 3.00 1
53 ASP 2.00 3.00 1
54 VAL -1.80 -1.00 1
55 LEU 4.20 3.50 1
56 PHE 2.60 1.00 1
57 ALA -2.60 -1.10 1
58 VAL -4.30 -2.90 1
59 ASN 1.70 1.90 1
60 ASN -2.70 -0.40 1
61 MET -3.20 0.60 1
62 PHE -0.90 -1.40 1
63 VAL 1.90 1.20 1
64 SER 1.60 1.70 1
65 LYS -0.20 -0.30 1
66 SER -0.30 0.80 1
67 LEU -2.10 -1.40 1
68 ARG 2.40 1.70 1
70 ALA -4.70 -1.20 1
71 ASP 3.40 2.40 1
72 ASP -0.40 -0.90 1
73 VAL -1.60 -1.20 1
74 ALA -5.90 -1.90 1
75 TYR -4.60 -1.50 1
76 ILE -5.60 -1.40 1
77 ASN -2.30 -1.40 1
78 VAL -6.50 -2.80 1
79 GLU -6.70 -2.80 1
80 THR -1.40 -0.10 1
81 LYS 4.30 3.00 1
82 GLU 5.00 0.80 1
83 ARG 6.40 1.40 1
84 ASN -2.20 -0.30 1
85 ARG -3.20 -0.70 1
86 TYR -6.90 -2.30 1
88 LEU -4.60 -2.70 1
89 GLU -6.50 -1.40 1
90 LEU -2.30 -0.70 1
91 THR -6.30 -1.20 1
92 GLU 2.80 2.30 1
93 ALA 0.90 0.30 1
95 LEU -5.30 -1.30 1
96 LYS -6.50 -1.80 1
97 VAL 2.40 2.30 1
98 VAL -1.50 -1.30 1
100 TYR 1.10 -0.60 1
101 ALA -4.40 -1.90 1
103 ASP 3.60 2.10 1
104 GLN -3.00 -0.50 1
105 VAL -1.60 -1.20 1
106 ASP -1.70 -1.30 1
107 ASP 1.90 1.50 1
108 HIS 0.90 0.80 1
109 LEU 0.00 0.60 1
110 GLN 0.80 -0.40 1
111 THR -0.60 -1.80 1
113 TYR 0.00 1.20 1
114 HIS -4.70 0.70 1
115 GLU 1.70 2.60 1
116 THR -7.90 -3.30 1
117 VAL 2.80 1.10 1
118 TYR 2.80 1.20 1
119 SER 3.60 2.20 1
120 LEU 3.30 2.90 1
121 LEU 6.70 3.10 1
122 ASP 2.40 3.80 1
123 THR 2.20 2.40 1
124 LEU -1.00 0.90 1
125 SER -2.90 -2.80 1
127 ALA 2.60 2.70 1
128 TYR 4.20 3.10 1
129 ARG 4.20 3.90 1
130 GLU 2.00 2.20 1
131 ALA 2.40 2.10 1
132 PHE 2.60 3.10 1
134 ASN 2.50 2.10 1
135 ALA 2.70 2.10 1
136 LEU 3.30 2.50 1
137 LEU 3.30 2.50 1
138 GLN 3.30 2.40 1
139 ARG 3.20 2.40 1
140 LEU 2.70 2.10 1
141 GLU 2.20 1.90 1
142 ALA 2.00 1.50 1
143 LEU 1.20 1.20 1
144 LYS 1.40 1.10 1
145 ARG 0.90 0.80 1
146 ASP 0.60 0.80 1
148 GLN -0.40 0.10 1
149 SER 0.70 1.80 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6052_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.90
_LACS_plot.Line_1_terminator_val_y_1 5.11
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.07
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.80
_LACS_plot.Line_2_terminator_val_x_2 6.70
_LACS_plot.Line_2_terminator_val_y_2 -1.72
_LACS_plot.Y_axis_chem_shift_offset -0.20
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
102 PHE -0.30 -3.00 0
11 MET 0.10 0.20 1
12 GLU -4.19 3.20 1
13 THR -0.10 0.20 1
14 ASP 0.40 0.00 1
16 ASN -0.20 0.30 1
18 MET 1.00 -0.40 1
19 GLU -2.60 2.60 1
20 LEU 0.40 0.10 1
21 SER 0.60 0.00 1
22 SER 0.40 0.00 1
23 MET 0.30 0.00 1
24 SER 0.60 0.10 1
26 PHE -0.00 0.10 1
27 GLU -0.40 0.40 1
28 GLU -0.10 0.40 1
30 SER 0.00 0.30 1
31 GLU 0.40 0.00 1
32 LEU 0.50 -0.20 1
33 ASN 0.20 0.20 1
35 PHE 0.20 0.00 1
36 GLU 0.10 0.40 1
38 THR -0.30 0.30 1
39 ASP 0.30 0.00 1
40 MET 0.00 0.20 1
41 LYS -0.90 0.60 1
42 ASP -2.30 1.00 1
43 MET 1.20 -0.20 1
44 ARG 5.10 -1.10 1
45 LEU 2.80 -1.00 1
46 GLU 2.60 -0.60 1
47 ALA 3.20 -0.40 1
48 GLU 2.90 -0.50 1
49 ALA 3.90 -1.20 1
50 VAL 5.60 -1.40 1
51 VAL 5.50 -1.50 1
52 ASN 2.90 0.10 1
53 ASP 2.00 1.00 1
54 VAL -1.80 0.80 1
55 LEU 4.20 -0.70 1
56 PHE 2.60 -1.60 1
57 ALA -2.60 1.50 1
58 VAL -4.30 1.40 1
59 ASN 1.70 0.20 1
60 ASN -2.70 2.30 1
61 MET -3.20 3.80 1
62 PHE -0.90 -0.50 1
63 VAL 1.90 -0.70 1
64 SER 1.60 0.10 1
65 LYS -0.20 -0.10 1
66 SER -0.30 1.10 1
67 LEU -2.10 0.70 1
68 ARG 2.40 -0.70 1
70 ALA -4.70 3.50 1
71 ASP 3.40 -1.00 1
72 ASP -0.40 -0.50 1
73 VAL -1.60 0.40 1
74 ALA -5.90 4.00 1
75 TYR -4.60 3.10 1
76 ILE -5.60 4.20 1
77 ASN -2.30 0.90 1
78 VAL -6.50 3.70 1
79 GLU -6.70 3.90 1
80 THR -1.40 1.30 1
81 LYS 4.30 -1.30 1
82 GLU 5.00 -4.20 1
83 ARG 6.40 -5.00 1
84 ASN -2.20 1.90 1
85 ARG -3.20 2.50 1
86 TYR -6.90 4.60 1
88 LEU -4.60 1.90 1
89 GLU -6.50 5.10 1
90 LEU -2.30 1.60 1
91 THR -6.30 5.10 1
92 GLU 2.80 -0.50 1
93 ALA 0.90 -0.60 1
95 LEU -5.30 4.00 1
96 LYS -6.50 4.70 1
97 VAL 2.40 -0.10 1
98 VAL -1.50 0.20 1
100 TYR 1.10 -1.70 1
101 ALA -4.40 2.50 1
103 ASP 3.60 -1.50 1
104 GLN -3.00 2.50 1
105 VAL -1.60 0.40 1
106 ASP -1.70 0.40 1
107 ASP 1.90 -0.40 1
108 HIS 0.90 -0.10 1
109 LEU 0.00 0.60 1
110 GLN 0.80 -1.20 1
111 THR -0.60 -1.20 1
113 TYR 0.00 1.20 1
114 HIS -4.70 5.40 1
115 GLU 1.70 0.90 1
116 THR -7.90 4.60 1
117 VAL 2.80 -1.70 1
118 TYR 2.80 -1.60 1
119 SER 3.60 -1.40 1
120 LEU 3.30 -0.40 1
121 LEU 6.70 -3.60 1
122 ASP 2.40 1.40 1
123 THR 2.20 0.20 1
124 LEU -1.00 1.90 1
125 SER -2.90 0.10 1
127 ALA 2.60 0.10 1
128 TYR 4.20 -1.10 1
129 ARG 4.20 -0.30 1
130 GLU 2.00 0.20 1
131 ALA 2.40 -0.30 1
132 PHE 2.60 0.50 1
134 ASN 2.50 -0.40 1
135 ALA 2.70 -0.60 1
136 LEU 3.30 -0.80 1
137 LEU 3.30 -0.80 1
138 GLN 3.30 -0.90 1
139 ARG 3.20 -0.80 1
140 LEU 2.70 -0.60 1
141 GLU 2.20 -0.30 1
142 ALA 2.00 -0.50 1
143 LEU 1.20 0.00 1
144 LYS 1.40 -0.30 1
145 ARG 0.90 -0.10 1
146 ASP 0.60 0.20 1
148 GLN -0.40 0.50 1
149 SER 0.70 1.10 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6052_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.90
_LACS_plot.Line_1_terminator_val_y_1 0.47
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.18
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.08
_LACS_plot.Line_2_terminator_val_x_2 6.70
_LACS_plot.Line_2_terminator_val_y_2 -0.49
_LACS_plot.Y_axis_chem_shift_offset 0.05
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
120 LEU 3.30 -1.69 0
11 MET 0.10 -0.05 1
12 GLU -4.19 -0.03 1
13 THR -0.10 -0.01 1
14 ASP 0.40 0.00 1
16 ASN -0.20 -0.09 1
18 MET 1.00 -0.09 1
19 GLU -2.60 -0.09 1
20 LEU 0.40 -0.02 1
21 SER 0.60 -0.07 1
22 SER 0.40 -0.03 1
23 MET 0.30 0.04 1
24 SER 0.60 -0.06 1
26 PHE -0.00 -0.02 1
27 GLU -0.40 -0.11 1
28 GLU -0.10 -0.13 1
30 SER 0.00 -0.05 1
31 GLU 0.40 -0.09 1
32 LEU 0.50 -0.02 1
33 ASN 0.20 -0.07 1
35 PHE 0.20 -0.02 1
36 GLU 0.10 -0.09 1
38 THR -0.30 0.02 1
39 ASP 0.30 -0.04 1
40 MET 0.00 -0.08 1
41 LYS -0.90 0.02 1
42 ASP -2.30 0.34 1
43 MET 1.20 -0.10 1
44 ARG 5.10 -0.62 1
45 LEU 2.80 -0.20 1
46 GLU 2.60 -0.26 1
47 ALA 3.20 -0.61 1
48 GLU 2.90 -0.44 1
49 ALA 3.90 -0.18 1
50 VAL 5.60 -0.45 1
51 VAL 5.50 -0.41 1
52 ASN 2.90 -0.28 1
53 ASP 2.00 0.16 1
54 VAL -1.80 0.72 1
55 LEU 4.20 -0.46 1
56 PHE 2.60 -0.17 1
57 ALA -2.60 -0.29 1
58 VAL -4.30 0.53 1
59 ASN 1.70 0.14 1
60 ASN -2.70 0.10 1
61 MET -3.20 0.82 1
62 PHE -0.90 0.22 1
63 VAL 1.90 -0.12 1
64 SER 1.60 -0.45 1
65 LYS -0.20 0.30 1
66 SER -0.30 0.05 1
67 LEU -2.10 -0.07 1
68 ARG 2.40 -0.31 1
70 ALA -4.70 0.33 1
71 ASP 3.40 0.02 1
72 ASP -0.40 -0.02 1
73 VAL -1.60 0.72 1
74 ALA -5.90 0.42 1
75 TYR -4.60 1.11 1
76 ILE -5.60 0.03 1
77 ASN -2.30 0.63 1
78 VAL -6.50 0.86 1
79 GLU -6.70 1.51 1
80 THR -1.40 0.05 1
81 LYS 4.30 -0.24 1
82 GLU 5.00 -0.23 1
83 ARG 6.40 -0.48 1
84 ASN -2.20 0.06 1
85 ARG -3.20 1.11 1
86 TYR -6.90 0.45 1
88 LEU -4.60 0.93 1
89 GLU -6.50 -0.01 1
90 LEU -2.30 0.81 1
91 THR -6.30 0.40 1
92 GLU 2.80 -0.34 1
93 ALA 0.90 -0.35 1
95 LEU -5.30 1.38 1
96 LYS -6.50 0.55 1
97 VAL 2.40 -0.12 1
98 VAL -1.50 0.63 1
100 TYR 1.10 0.54 1
101 ALA -4.40 -0.51 1
102 PHE -0.30 -0.02 1
103 ASP 3.60 -0.33 1
104 GLN -3.00 -0.01 1
105 VAL -1.60 -0.13 1
106 ASP -1.70 0.18 1
107 ASP 1.90 -0.23 1
108 HIS 0.90 -0.07 1
109 LEU 0.00 -0.10 1
110 GLN 0.80 0.23 1
111 THR -0.60 -0.02 1
113 TYR 0.00 -0.02 1
114 HIS -4.70 -0.09 1
115 GLU 1.70 -0.13 1
116 THR -7.90 0.34 1
117 VAL 2.80 -0.61 1
118 TYR 2.80 -0.52 1
119 SER 3.60 -0.26 1
121 LEU 6.70 -1.00 1
122 ASP 2.40 -0.24 1
123 THR 2.20 -0.11 1
124 LEU -1.00 0.04 1
125 SER -2.90 0.51 1
127 ALA 2.60 -0.05 1
128 TYR 4.20 -0.14 1
129 ARG 4.20 -0.55 1
130 GLU 2.00 -0.27 1
131 ALA 2.40 -0.12 1
132 PHE 2.60 -0.32 1
134 ASN 2.50 -0.16 1
135 ALA 2.70 -0.20 1
136 LEU 3.30 -0.36 1
137 LEU 3.30 -0.28 1
138 GLN 3.30 -0.27 1
139 ARG 3.20 -0.21 1
140 LEU 2.70 -0.22 1
141 GLU 2.20 -0.28 1
142 ALA 2.00 -0.17 1
143 LEU 1.20 -0.14 1
144 LYS 1.40 -0.11 1
145 ARG 0.90 -0.06 1
146 ASP 0.60 -0.02 1
148 GLN -0.40 0.09 1
149 SER 0.70 -0.22 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6052_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -7.90
_LACS_plot.Line_1_terminator_val_y_1 -3.18
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.76
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.92
_LACS_plot.Line_2_terminator_val_x_2 6.70
_LACS_plot.Line_2_terminator_val_y_2 2.62
_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
73 VAL -1.60 -6.40 0
11 MET 0.10 -0.20 1
12 GLU -4.19 0.00 1
13 THR -0.10 -0.40 1
14 ASP 0.40 -0.40 1
18 MET 1.00 0.20 1
19 GLU -2.60 0.20 1
20 LEU 0.40 0.20 1
21 SER 0.60 0.30 1
22 SER 0.40 0.10 1
23 MET 0.30 0.00 1
24 SER 0.60 0.30 1
26 PHE -0.00 -0.10 1
27 GLU -0.40 -0.40 1
28 GLU -0.10 0.50 1
30 SER 0.00 1.90 1
31 GLU 0.40 -0.10 1
32 LEU 0.50 -0.40 1
33 ASN 0.20 0.40 1
35 PHE 0.20 0.10 1
36 GLU 0.10 0.00 1
38 THR -0.30 -0.50 1
39 ASP 0.30 -0.50 1
40 MET 0.00 -0.60 1
41 LYS -0.90 -1.50 1
42 ASP -2.30 1.40 1
43 MET 1.20 1.60 1
44 ARG 5.10 2.70 1
46 GLU 2.60 1.90 1
47 ALA 3.20 0.40 1
48 GLU 2.90 1.90 1
49 ALA 3.90 2.10 1
50 VAL 5.60 1.00 1
51 VAL 5.50 1.10 1
52 ASN 2.90 2.30 1
53 ASP 2.00 2.00 1
54 VAL -1.80 0.00 1
55 LEU 4.20 0.60 1
56 PHE 2.60 -0.50 1
57 ALA -2.60 -2.00 1
58 VAL -4.30 -2.20 1
59 ASN 1.70 1.20 1
60 ASN -2.70 -2.00 1
61 MET -3.20 -3.60 1
62 PHE -0.90 -3.20 1
63 VAL 1.90 -0.10 1
64 SER 1.60 1.60 1
65 LYS -0.20 0.50 1
66 SER -0.30 -0.20 1
67 LEU -2.10 -1.60 1
68 ARG 2.40 -1.40 1
70 ALA -4.70 -2.60 1
71 ASP 3.40 1.50 1
72 ASP -0.40 -0.10 1
74 ALA -5.90 -4.40 1
75 TYR -4.60 -0.60 1
76 ILE -5.60 -2.40 1
77 ASN -2.30 -1.20 1
78 VAL -6.50 -3.80 1
79 GLU -6.70 1.50 1
80 THR -1.40 1.60 1
81 LYS 4.30 1.50 1
82 GLU 5.00 -1.60 1
83 ARG 6.40 -1.00 1
84 ASN -2.20 -1.70 1
85 ARG -3.20 -2.20 1
86 TYR -6.90 -2.80 1
88 LEU -4.60 -2.50 1
89 GLU -6.50 -2.50 1
90 LEU -2.30 -3.20 1
91 THR -6.30 2.20 1
92 GLU 2.80 -0.30 1
93 ALA 0.90 -1.50 1
95 LEU -5.30 -1.60 1
96 LYS -6.50 -1.00 1
97 VAL 2.40 -0.20 1
98 VAL -1.50 -2.50 1
100 TYR 1.10 -2.20 1
101 ALA -4.40 -2.70 1
102 PHE -0.30 1.70 1
103 ASP 3.60 -3.30 1
104 GLN -3.00 -4.00 1
105 VAL -1.60 -0.70 1
106 ASP -1.70 0.60 1
107 ASP 1.90 0.40 1
108 HIS 0.90 2.60 1
109 LEU 0.00 -0.40 1
110 GLN 0.80 -0.80 1
113 TYR 0.00 1.30 1
114 HIS -4.70 1.80 1
115 GLU 1.70 0.30 1
116 THR -7.90 -0.30 1
117 VAL 2.80 -1.60 1
118 TYR 2.80 1.50 1
119 SER 3.60 2.30 1
120 LEU 3.30 1.70 1
121 LEU 6.70 0.30 1
122 ASP 2.40 1.20 1
123 THR 2.20 1.10 1
124 LEU -1.00 0.70 1
127 ALA 2.60 -3.50 1
128 TYR 4.20 0.60 1
129 ARG 4.20 3.30 1
130 GLU 2.00 1.30 1
131 ALA 2.40 2.00 1
132 PHE 2.60 1.60 1
134 ASN 2.50 1.70 1
135 ALA 2.70 1.80 1
136 LEU 3.30 1.10 1
137 LEU 3.30 1.60 1
138 GLN 3.30 2.20 1
139 ARG 3.20 1.80 1
140 LEU 2.70 1.70 1
141 GLU 2.20 1.40 1
142 ALA 2.00 1.10 1
143 LEU 1.20 0.70 1
144 LYS 1.40 0.70 1
145 ARG 0.90 0.30 1
146 ASP 0.60 0.60 1
148 GLN -0.40 -0.80 1
stop_
save_