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 bmr4668_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.61
_LACS_plot.Line_1_terminator_val_y_1 -2.36
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.58
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.66
_LACS_plot.Line_2_terminator_val_x_2 5.54
_LACS_plot.Line_2_terminator_val_y_2 4.21
_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
146 ILE 2.84 -0.37 0
126 GLU -5.99 -0.55 0
13 ILE -2.31 1.84 0
133 HIS 1.65 4.00 0
10 VAL -6.03 -3.40 1
11 ASP -5.55 -1.60 1
12 TYR -6.61 -1.95 1
15 LYS -5.96 -1.72 1
16 LEU -1.90 -1.14 1
17 GLU 3.62 3.43 1
18 SER 0.61 0.48 1
20 ASP 0.24 0.55 1
21 VAL 0.64 0.44 1
22 PHE -2.85 -1.51 1
23 ASP -2.91 0.35 1
24 THR -0.80 -2.14 1
25 SER 0.61 0.85 1
26 ILE -0.09 0.20 1
27 GLU 3.89 4.07 1
28 GLU 3.97 3.50 1
29 VAL 4.19 2.70 1
30 ALA 3.58 2.43 1
31 LYS 4.36 3.90 1
32 GLU 3.04 2.69 1
33 ALA -1.31 -0.31 1
35 ILE -0.71 -0.83 1
36 TYR 1.11 1.13 1
37 ALA -4.78 -2.28 1
39 ASP 0.23 -0.88 1
40 ARG -1.99 -1.16 1
41 GLU -1.37 -1.22 1
42 TYR 3.52 2.09 1
43 GLU -2.65 -1.09 1
45 LEU -1.99 -0.14 1
46 GLU -5.50 -2.37 1
47 PHE -2.45 -1.67 1
48 VAL 0.27 -0.92 1
49 VAL 5.24 3.84 1
51 GLU 0.36 0.40 1
53 GLN 2.03 1.68 1
54 LEU -3.57 -2.73 1
55 ILE 2.12 1.33 1
56 GLN 4.51 3.92 1
58 PHE 1.33 2.11 1
59 GLU 5.54 4.61 1
60 GLU 1.29 1.62 1
61 ALA 1.89 1.99 1
62 VAL 1.43 0.08 1
63 LEU 2.91 1.64 1
64 ASP 1.81 0.64 1
65 MET -2.12 1.22 1
66 GLU -5.30 -3.08 1
67 VAL 5.31 3.78 1
69 ASP -0.96 0.64 1
70 GLU -6.59 -2.33 1
71 LYS -5.07 -0.65 1
72 THR -0.21 0.24 1
73 VAL -6.11 -3.16 1
74 LYS -0.31 -0.62 1
75 ILE -2.38 -0.83 1
77 ALA 4.48 3.69 1
78 GLU 3.81 3.11 1
79 LYS -1.77 -0.98 1
80 ALA -1.42 -1.84 1
81 TYR 4.02 2.10 1
83 ASN -0.90 -0.08 1
84 ARG 2.09 1.91 1
85 ASN -2.37 -1.50 1
86 GLU 3.11 1.87 1
87 MET 2.26 0.80 1
88 LEU 0.26 -0.96 1
89 ILE -0.57 -0.68 1
90 GLN -5.44 -1.27 1
91 LYS -1.60 -0.71 1
92 ILE -3.31 -1.19 1
94 ARG 3.69 2.68 1
95 ASP 2.82 1.92 1
96 ALA 2.37 1.71 1
97 PHE 1.43 0.48 1
98 LYS 3.43 3.00 1
99 GLU 0.20 -0.33 1
100 ALA -0.73 -0.26 1
101 ASP 1.00 0.16 1
102 PHE -3.46 -2.16 1
103 GLU -3.00 -1.82 1
105 GLU -6.16 -2.05 1
106 GLU 2.60 1.91 1
108 MET -1.05 1.38 1
109 VAL -0.31 -0.55 1
110 ILE -5.96 -2.84 1
111 LEU -2.14 -1.31 1
112 ALA -2.03 -1.40 1
113 GLU 2.67 0.30 1
115 ILE -2.26 -0.77 1
117 ALA -5.15 -1.89 1
118 THR -0.65 -0.13 1
119 ILE 2.77 0.69 1
120 THR 1.07 0.16 1
121 GLU -2.83 0.27 1
122 VAL -1.22 0.40 1
123 THR -4.49 -2.54 1
124 ASP 3.63 2.99 1
125 ASN -1.83 0.65 1
127 VAL -3.48 -1.28 1
128 THR 1.71 1.06 1
129 LEU -4.59 -1.91 1
130 ASP -4.04 -1.51 1
131 PHE 1.62 1.19 1
132 ASN 1.40 2.34 1
134 GLU 3.28 2.87 1
135 LEU -0.14 -1.40 1
136 ALA 1.76 1.30 1
138 LYS -1.54 -0.91 1
139 ASP -0.13 -0.49 1
140 LEU -5.68 -1.68 1
141 VAL -1.04 -0.48 1
142 PHE -5.40 -1.47 1
143 THR -0.15 0.80 1
144 ILE -4.09 -0.22 1
145 LYS -5.60 -2.07 1
147 ILE 1.45 0.44 1
148 GLU -5.05 -0.78 1
149 VAL 0.06 0.24 1
150 VAL 1.33 0.76 1
151 GLU 0.02 1.52 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr4668_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.61
_LACS_plot.Line_1_terminator_val_y_1 4.25
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.42
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.34
_LACS_plot.Line_2_terminator_val_x_2 5.54
_LACS_plot.Line_2_terminator_val_y_2 -1.33
_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
146 ILE 2.84 -3.21 0
126 GLU -5.99 5.44 0
13 ILE -2.31 4.15 0
133 HIS 1.65 2.35 0
10 VAL -6.03 2.63 1
11 ASP -5.55 3.95 1
12 TYR -6.61 4.66 1
15 LYS -5.96 4.24 1
16 LEU -1.90 0.76 1
17 GLU 3.62 -0.19 1
18 SER 0.61 -0.13 1
20 ASP 0.24 0.31 1
21 VAL 0.64 -0.20 1
22 PHE -2.85 1.34 1
23 ASP -2.91 3.26 1
24 THR -0.80 -1.34 1
25 SER 0.61 0.24 1
26 ILE -0.09 0.29 1
27 GLU 3.89 0.18 1
28 GLU 3.97 -0.47 1
29 VAL 4.19 -1.49 1
30 ALA 3.58 -1.15 1
31 LYS 4.36 -0.46 1
32 GLU 3.04 -0.35 1
33 ALA -1.31 1.00 1
35 ILE -0.71 -0.12 1
36 TYR 1.11 0.02 1
37 ALA -4.78 2.50 1
39 ASP 0.23 -1.11 1
40 ARG -1.99 0.83 1
41 GLU -1.37 0.15 1
42 TYR 3.52 -1.43 1
43 GLU -2.65 1.56 1
45 LEU -1.99 1.85 1
46 GLU -5.50 3.13 1
47 PHE -2.45 0.78 1
48 VAL 0.27 -1.19 1
49 VAL 5.24 -1.40 1
51 GLU 0.36 0.04 1
53 GLN 2.03 -0.35 1
54 LEU -3.57 0.84 1
55 ILE 2.12 -0.79 1
56 GLN 4.51 -0.59 1
58 PHE 1.33 0.78 1
59 GLU 5.54 -0.93 1
60 GLU 1.29 0.33 1
61 ALA 1.89 0.10 1
62 VAL 1.43 -1.35 1
63 LEU 2.91 -1.27 1
64 ASP 1.81 -1.17 1
65 MET -2.12 3.34 1
66 GLU -5.30 2.22 1
67 VAL 5.31 -1.53 1
69 ASP -0.96 1.60 1
70 GLU -6.59 4.26 1
71 LYS -5.07 4.42 1
72 THR -0.21 0.45 1
73 VAL -6.11 2.95 1
74 LYS -0.31 -0.31 1
75 ILE -2.38 1.55 1
77 ALA 4.48 -0.79 1
78 GLU 3.81 -0.70 1
79 LYS -1.77 0.79 1
80 ALA -1.42 -0.42 1
81 TYR 4.02 -1.92 1
83 ASN -0.90 0.82 1
84 ARG 2.09 -0.18 1
85 ASN -2.37 0.87 1
86 GLU 3.11 -1.24 1
87 MET 2.26 -1.46 1
88 LEU 0.26 -1.22 1
89 ILE -0.57 -0.11 1
90 GLN -5.44 4.17 1
91 LYS -1.60 0.89 1
92 ILE -3.31 2.12 1
94 ARG 3.69 -1.01 1
95 ASP 2.82 -0.90 1
96 ALA 2.37 -0.66 1
97 PHE 1.43 -0.95 1
98 LYS 3.43 -0.43 1
99 GLU 0.20 -0.53 1
100 ALA -0.73 0.47 1
101 ASP 1.00 -0.84 1
102 PHE -3.46 1.30 1
103 GLU -3.00 1.18 1
105 GLU -6.16 4.11 1
106 GLU 2.60 -0.69 1
108 MET -1.05 2.43 1
109 VAL -0.31 -0.24 1
110 ILE -5.96 3.12 1
111 LEU -2.14 0.83 1
112 ALA -2.03 0.63 1
113 GLU 2.67 -2.37 1
115 ILE -2.26 1.49 1
117 ALA -5.15 3.26 1
118 THR -0.65 0.52 1
119 ILE 2.77 -2.08 1
120 THR 1.07 -0.91 1
121 GLU -2.83 3.10 1
122 VAL -1.22 1.62 1
123 THR -4.49 1.95 1
124 ASP 3.63 -0.64 1
125 ASN -1.83 2.48 1
127 VAL -3.48 2.20 1
128 THR 1.71 -0.65 1
129 LEU -4.59 2.68 1
130 ASP -4.04 2.53 1
131 PHE 1.62 -0.43 1
132 ASN 1.40 0.94 1
134 GLU 3.28 -0.41 1
135 LEU -0.14 -1.26 1
136 ALA 1.76 -0.46 1
138 LYS -1.54 0.63 1
139 ASP -0.13 -0.36 1
140 LEU -5.68 4.00 1
141 VAL -1.04 0.56 1
142 PHE -5.40 3.93 1
143 THR -0.15 0.95 1
144 ILE -4.09 3.87 1
145 LYS -5.60 3.53 1
147 ILE 1.45 -1.01 1
148 GLU -5.05 4.27 1
149 VAL 0.06 0.18 1
150 VAL 1.33 -0.57 1
151 GLU 0.02 1.50 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr4668_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.61
_LACS_plot.Line_1_terminator_val_y_1 0.82
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.14
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.29
_LACS_plot.Line_2_terminator_val_x_2 5.54
_LACS_plot.Line_2_terminator_val_y_2 -0.52
_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
72 THR -0.21 1.38 0
27 GLU 3.89 -1.64 0
10 VAL -6.03 1.48 1
11 ASP -5.55 1.25 1
12 TYR -6.61 1.66 1
13 ILE -2.31 -0.23 1
15 LYS -5.96 1.09 1
16 LEU -1.90 0.51 1
17 GLU 3.62 -0.36 1
18 SER 0.61 -0.17 1
20 ASP 0.24 -0.04 1
21 VAL 0.64 0.12 1
22 PHE -2.85 0.55 1
23 ASP -2.91 0.17 1
24 THR -0.80 -0.10 1
25 SER 0.61 0.20 1
26 ILE -0.09 0.03 1
28 GLU 3.97 -0.54 1
29 VAL 4.19 -0.41 1
30 ALA 3.58 -0.60 1
31 LYS 4.36 -0.36 1
32 GLU 3.04 -0.33 1
33 ALA -1.31 0.13 1
35 ILE -0.71 0.62 1
36 TYR 1.11 -0.29 1
37 ALA -4.78 0.13 1
39 ASP 0.23 -0.07 1
40 ARG -1.99 -0.03 1
41 GLU -1.37 0.16 1
42 TYR 3.52 -0.21 1
43 GLU -2.65 0.51 1
45 LEU -1.99 0.24 1
46 GLU -5.50 1.53 1
47 PHE -2.45 0.36 1
48 VAL 0.27 0.19 1
49 VAL 5.24 -0.58 1
51 GLU 0.36 0.08 1
53 GLN 2.03 -0.23 1
54 LEU -3.57 0.07 1
55 ILE 2.12 -0.29 1
56 GLN 4.51 -0.34 1
58 PHE 1.33 -0.85 1
59 GLU 5.54 -0.37 1
60 GLU 1.29 -0.31 1
61 ALA 1.89 -0.20 1
62 VAL 1.43 0.18 1
63 LEU 2.91 -0.41 1
64 ASP 1.81 0.06 1
65 MET -2.12 -0.02 1
66 GLU -5.30 0.35 1
67 VAL 5.31 -0.84 1
69 ASP -0.96 0.03 1
70 GLU -6.59 1.29 1
71 LYS -5.07 0.45 1
73 VAL -6.11 0.59 1
74 LYS -0.31 0.71 1
75 ILE -2.38 0.22 1
77 ALA 4.48 -0.17 1
78 GLU 3.81 -0.37 1
79 LYS -1.77 0.17 1
80 ALA -1.42 0.24 1
81 TYR 4.02 -0.29 1
83 ASN -0.90 -0.07 1
84 ARG 2.09 -0.48 1
85 ASN -2.37 0.26 1
86 GLU 3.11 -0.16 1
87 MET 2.26 0.10 1
88 LEU 0.26 0.20 1
89 ILE -0.57 1.08 1
90 GLN -5.44 0.50 1
91 LYS -1.60 0.96 1
92 ILE -3.31 0.51 1
94 ARG 3.69 -0.25 1
95 ASP 2.82 -0.14 1
96 ALA 2.37 -0.13 1
97 PHE 1.43 -0.21 1
98 LYS 3.43 -0.12 1
99 GLU 0.20 0.04 1
100 ALA -0.73 0.04 1
101 ASP 1.00 -0.02 1
102 PHE -3.46 0.24 1
103 GLU -3.00 0.11 1
105 GLU -6.16 0.16 1
106 GLU 2.60 -0.69 1
108 MET -1.05 -0.24 1
109 VAL -0.31 0.76 1
110 ILE -5.96 0.51 1
111 LEU -2.14 0.39 1
112 ALA -2.03 0.43 1
113 GLU 2.67 -0.46 1
115 ILE -2.26 0.39 1
117 ALA -5.15 0.14 1
118 THR -0.65 0.53 1
119 ILE 2.77 0.43 1
120 THR 1.07 0.28 1
121 GLU -2.83 0.24 1
122 VAL -1.22 0.42 1
123 THR -4.49 0.62 1
124 ASP 3.63 -0.29 1
125 ASN -1.83 0.34 1
126 GLU -5.99 0.80 1
127 VAL -3.48 0.59 1
128 THR 1.71 0.59 1
129 LEU -4.59 0.52 1
130 ASP -4.04 0.64 1
131 PHE 1.62 0.08 1
132 ASN 1.40 -0.32 1
133 HIS 1.65 -0.60 1
134 GLU 3.28 -0.32 1
135 LEU -0.14 0.03 1
136 ALA 1.76 -0.17 1
138 LYS -1.54 0.33 1
139 ASP -0.13 0.35 1
140 LEU -5.68 0.83 1
141 VAL -1.04 0.87 1
142 PHE -5.40 1.35 1
143 THR -0.15 1.04 1
144 ILE -4.09 0.59 1
145 LYS -5.60 1.23 1
146 ILE 2.84 0.16 1
147 ILE 1.45 0.01 1
148 GLU -5.05 0.23 1
149 VAL 0.06 0.32 1
150 VAL 1.33 -0.07 1
151 GLU 0.02 -0.15 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr4668_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.61
_LACS_plot.Line_1_terminator_val_y_1 -2.44
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.39
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.97
_LACS_plot.Line_2_terminator_val_x_2 5.54
_LACS_plot.Line_2_terminator_val_y_2 1.61
_LACS_plot.Y_axis_chem_shift_offset 0.28
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
24 THR -0.80 -5.32 0
10 VAL -6.03 -1.77 1
11 ASP -5.55 0.15 1
12 TYR -6.61 -1.50 1
13 ILE -2.31 -2.36 1
15 LYS -5.96 -0.35 1
16 LEU -1.90 2.67 1
17 GLU 3.62 0.70 1
18 SER 0.61 0.90 1
20 ASP 0.24 -0.84 1
21 VAL 0.64 -0.39 1
22 PHE -2.85 -0.83 1
23 ASP -2.91 -3.21 1
25 SER 0.61 -0.65 1
26 ILE -0.09 0.00 1
27 GLU 3.89 1.38 1
28 GLU 3.97 2.63 1
29 VAL 4.19 1.51 1
30 ALA 3.58 2.18 1
31 LYS 4.36 3.42 1
32 GLU 3.04 1.30 1
33 ALA -1.31 -0.14 1
35 ILE -0.71 -0.52 1
36 TYR 1.11 -2.40 1
37 ALA -4.78 -1.16 1
39 ASP 0.23 -1.06 1
40 ARG -1.99 -1.85 1
41 GLU -1.37 -0.44 1
42 TYR 3.52 -1.63 1
43 GLU -2.65 -2.25 1
45 LEU -1.99 -2.10 1
46 GLU -5.50 -0.85 1
47 PHE -2.45 -4.17 1
48 VAL 0.27 0.68 1
49 VAL 5.24 1.67 1
51 GLU 0.36 1.33 1
53 GLN 2.03 0.03 1
54 LEU -3.57 -1.17 1
55 ILE 2.12 1.30 1
56 GLN 4.51 3.40 1
58 PHE 1.33 0.22 1
59 GLU 5.54 1.54 1
60 GLU 1.29 2.41 1
61 ALA 1.89 0.98 1
62 VAL 1.43 -0.23 1
63 LEU 2.91 0.26 1
64 ASP 1.81 -0.60 1
65 MET -2.12 -1.85 1
66 GLU -5.30 -0.02 1
67 VAL 5.31 0.53 1
69 ASP -0.96 -1.76 1
70 GLU -6.59 -1.29 1
71 LYS -5.07 -2.29 1
72 THR -0.21 -0.55 1
73 VAL -6.11 -3.71 1
74 LYS -0.31 -0.69 1
75 ILE -2.38 -2.44 1
77 ALA 4.48 2.82 1
78 GLU 3.81 1.06 1
79 LYS -1.77 -3.40 1
80 ALA -1.42 -1.88 1
81 TYR 4.02 -1.04 1
83 ASN -0.90 1.42 1
84 ARG 2.09 -0.58 1
85 ASN -2.37 2.68 1
86 GLU 3.11 1.08 1
87 MET 2.26 1.14 1
88 LEU 0.26 -3.16 1
89 ILE -0.57 -0.19 1
90 GLN -5.44 -2.05 1
91 LYS -1.60 -0.26 1
92 ILE -3.31 -2.04 1
94 ARG 3.69 2.23 1
95 ASP 2.82 1.11 1
96 ALA 2.37 1.11 1
97 PHE 1.43 0.59 1
98 LYS 3.43 1.07 1
99 GLU 0.20 -0.29 1
100 ALA -0.73 -0.39 1
101 ASP 1.00 -1.62 1
102 PHE -3.46 -2.44 1
103 GLU -3.00 -0.78 1
105 GLU -6.16 -2.15 1
106 GLU 2.60 0.81 1
108 MET -1.05 -2.05 1
109 VAL -0.31 0.40 1
110 ILE -5.96 -2.55 1
111 LEU -2.14 -1.27 1
112 ALA -2.03 -1.60 1
113 GLU 2.67 0.24 1
115 ILE -2.26 -1.27 1
117 ALA -5.15 -2.13 1
118 THR -0.65 0.19 1
119 ILE 2.77 0.29 1
120 THR 1.07 0.59 1
121 GLU -2.83 -2.83 1
122 VAL -1.22 -1.14 1
123 THR -4.49 -0.26 1
124 ASP 3.63 0.30 1
125 ASN -1.83 1.17 1
126 GLU -5.99 -3.06 1
127 VAL -3.48 -1.97 1
128 THR 1.71 -1.87 1
129 LEU -4.59 -3.22 1
130 ASP -4.04 1.43 1
131 PHE 1.62 1.26 1
132 ASN 1.40 0.21 1
133 HIS 1.65 3.45 1
134 GLU 3.28 1.02 1
135 LEU -0.14 0.66 1
136 ALA 1.76 1.49 1
138 LYS -1.54 -2.07 1
139 ASP -0.13 -0.79 1
140 LEU -5.68 -1.71 1
141 VAL -1.04 -0.48 1
142 PHE -5.40 -0.21 1
143 THR -0.15 -0.47 1
144 ILE -4.09 -3.04 1
145 LYS -5.60 -0.18 1
146 ILE 2.84 -0.35 1
147 ILE 1.45 -0.34 1
148 GLU -5.05 -2.69 1
149 VAL 0.06 -0.82 1
150 VAL 1.33 -1.38 1
stop_
save_