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 bmr6159_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -7.24
_LACS_plot.Line_1_terminator_val_y_1 -2.67
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.55
_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 7.79
_LACS_plot.Line_2_terminator_val_y_2 4.76
_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
82 THR 7.80 6.40 0
10 LYS -5.17 -1.69 1
11 PHE -3.59 -0.85 1
12 PHE -3.58 -1.85 1
13 PHE -1.35 -1.86 1
15 LYS 0.20 1.00 1
16 ASN 3.50 0.93 1
18 THR -5.79 -2.48 1
20 GLU 1.30 1.76 1
21 SER -7.17 -3.13 1
22 PHE -4.48 -0.16 1
23 GLU -5.88 -2.19 1
24 TYR -4.77 -0.60 1
25 ASN -3.20 0.10 1
26 LYS 3.26 2.54 1
28 GLU -0.03 1.27 1
29 THR 0.37 -0.04 1
30 VAL -1.35 -0.92 1
31 ARG -3.87 -2.57 1
32 PHE -3.04 -2.77 1
33 ASN -4.67 -0.97 1
34 ASN 2.80 2.22 1
36 ASP -1.59 -1.13 1
37 LYS 3.45 1.65 1
38 TRP 2.23 1.04 1
39 ASN 3.77 3.69 1
40 ASP 5.43 2.56 1
41 LYS -0.91 1.14 1
42 PHE 0.52 -2.10 1
43 MET -3.58 -1.48 1
44 SER -0.63 0.50 1
46 LEU -4.40 -1.60 1
47 VAL -1.09 -0.70 1
49 SER 3.43 3.03 1
50 ASN -2.02 -1.03 1
51 VAL -6.35 -3.44 1
52 ARG -6.11 -1.66 1
54 ASN -2.00 -2.20 1
55 ILE -4.87 -1.52 1
56 TRP -3.75 1.22 1
57 GLU -2.00 0.46 1
58 HIS -4.21 -0.34 1
59 ASN -3.25 -2.05 1
60 GLU 0.10 0.50 1
61 ILE -1.15 -0.15 1
62 ASP 2.20 0.52 1
63 THR 1.15 -0.29 1
65 THR -1.38 -1.18 1
68 LYS 0.99 0.50 1
69 PHE -5.28 -1.82 1
70 GLN -5.26 -1.20 1
71 GLU -3.15 -2.15 1
72 LEU -0.90 -1.50 1
73 ALA -2.35 -0.75 1
74 GLN 0.72 0.60 1
76 SER -0.73 0.23 1
77 THR 1.01 0.93 1
78 ASN -1.82 -1.22 1
79 ASN 2.33 3.30 1
80 ASP -0.40 -0.04 1
81 LEU 0.58 -1.38 1
83 SER 3.60 2.37 1
84 ILE -5.44 -4.02 1
85 ASN 2.29 0.90 1
87 LEU 3.13 2.90 1
88 SER -0.77 1.20 1
89 LYS -4.30 -1.60 1
90 PHE -4.42 -1.27 1
91 GLN -6.00 -1.70 1
92 VAL 2.03 -0.29 1
93 LEU -2.24 -0.70 1
96 ALA 1.10 0.00 1
97 PHE -1.40 -0.50 1
98 GLN -1.60 0.40 1
99 TRP -3.99 -2.79 1
100 ALA -3.92 -0.94 1
101 VAL -5.60 -3.60 1
102 ASP -2.10 -0.10 1
103 VAL -7.23 -2.70 1
104 LYS -3.50 -0.59 1
105 ILE -4.34 -3.92 1
106 VAL -2.73 -1.72 1
107 ASN -2.31 -1.25 1
108 LYS 0.79 -1.54 1
109 VAL 2.20 2.24 1
110 ASN -1.57 -0.90 1
111 SER -0.76 -0.91 1
112 THR 0.87 -0.10 1
113 ALA 0.35 0.10 1
115 SER 2.60 4.30 1
116 TYR -3.98 -0.48 1
117 GLU -6.31 -2.67 1
118 MET -5.54 -1.61 1
119 THR -1.00 -0.76 1
120 ILE -1.90 -0.65 1
121 THR -0.54 -0.84 1
123 TYR 2.66 2.13 1
124 GLN 5.16 1.66 1
125 VAL -3.23 -1.51 1
126 ASP 1.05 1.52 1
127 LYS -3.43 -1.48 1
128 VAL -3.76 -0.93 1
129 ALA -6.77 -2.74 1
131 LYS -5.52 -2.02 1
132 ASP 1.62 1.73 1
134 ASP 0.08 0.53 1
135 ASP -1.42 -0.89 1
136 PHE 1.55 3.25 1
137 VAL -5.26 -2.73 1
138 GLN -2.21 0.69 1
139 LEU -2.44 -1.83 1
141 ILE -3.76 -2.56 1
143 LYS 2.20 1.40 1
144 LEU -1.94 -1.11 1
145 THR -2.28 -0.85 1
148 ASP -0.17 -1.71 1
149 SER -0.69 0.66 1
150 GLU -2.52 -1.20 1
151 ILE -4.85 -2.13 1
152 VAL 0.12 -0.88 1
153 SER -3.78 -1.86 1
154 HIS -2.39 -0.34 1
155 LEU -4.73 -1.45 1
156 THR -5.58 -2.90 1
157 VAL -2.23 -0.78 1
158 ARG -6.70 -2.25 1
159 GLN 0.15 0.69 1
160 THR 0.85 -0.37 1
161 HIS -3.32 -1.67 1
162 THR 0.44 0.00 1
164 TYR 3.89 -0.15 1
165 ASP 1.20 0.90 1
166 TYR 2.03 1.56 1
167 VAL -0.37 -1.47 1
168 VAL -3.89 0.09 1
169 ASN 0.14 0.15 1
171 SER -3.93 -1.05 1
172 VAL -3.90 -1.70 1
173 TYR -3.70 -1.90 1
174 PHE -6.40 -1.80 1
175 LYS -4.35 -0.41 1
176 TYR -5.44 -4.06 1
177 SER -4.35 -4.32 1
179 THR 2.60 1.82 1
180 THR -1.79 -0.85 1
182 GLN 0.60 0.80 1
183 VAL -2.47 -0.85 1
184 THR -2.73 -0.30 1
185 VAL -2.17 -2.10 1
186 ILE -2.77 -1.07 1
187 LYS -2.06 -2.10 1
188 LYS -0.40 -1.00 1
189 ASP 3.41 3.18 1
190 GLU 2.90 2.40 1
191 THR -1.99 -0.85 1
192 PHE 0.83 1.40 1
194 LYS 2.40 1.50 1
195 ASN 4.01 -0.09 1
196 MET -7.24 -1.00 1
197 THR -5.01 -2.52 1
198 VAL -4.17 -2.66 1
199 THR -2.93 -1.35 1
200 GLN 2.85 0.40 1
201 ASP -2.68 1.69 1
202 ASP -0.35 -1.65 1
203 ASN 7.09 3.78 1
204 THR -0.63 0.24 1
205 SER -0.08 -0.92 1
206 PHE -4.43 -0.09 1
207 ILE -1.41 -0.44 1
208 PHE -0.09 -0.79 1
209 ASN -1.56 -0.27 1
210 LEU -1.48 -1.40 1
211 ASN 0.72 1.70 1
212 SER -0.83 -0.94 1
213 GLU 2.27 2.21 1
214 LYS -0.86 0.66 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6159_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -7.24
_LACS_plot.Line_1_terminator_val_y_1 4.57
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.45
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.83
_LACS_plot.Line_2_terminator_val_x_2 7.79
_LACS_plot.Line_2_terminator_val_y_2 -3.03
_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
82 THR 7.80 -1.40 0
10 LYS -5.17 3.48 1
11 PHE -3.59 2.74 1
12 PHE -3.58 1.73 1
13 PHE -1.35 -0.51 1
15 LYS 0.20 0.80 1
16 ASN 3.50 -2.57 1
18 THR -5.79 3.31 1
20 GLU 1.30 0.46 1
21 SER -7.17 4.04 1
22 PHE -4.48 4.32 1
23 GLU -5.88 3.69 1
24 TYR -4.77 4.17 1
25 ASN -3.20 3.30 1
26 LYS 3.26 -0.72 1
28 GLU -0.03 1.30 1
29 THR 0.37 -0.41 1
30 VAL -1.35 0.43 1
31 ARG -3.87 1.30 1
32 PHE -3.04 0.27 1
33 ASN -4.67 3.70 1
34 ASN 2.80 -0.58 1
36 ASP -1.59 0.46 1
37 LYS 3.45 -1.80 1
38 TRP 2.23 -1.19 1
39 ASN 3.77 -0.08 1
40 ASP 5.43 -2.87 1
41 LYS -0.91 2.05 1
42 PHE 0.52 -2.62 1
43 MET -3.58 2.10 1
44 SER -0.63 1.13 1
46 LEU -4.40 2.80 1
47 VAL -1.09 0.39 1
49 SER 3.43 -0.40 1
50 ASN -2.02 0.99 1
51 VAL -6.35 2.91 1
52 ARG -6.11 4.45 1
54 ASN -2.00 -0.20 1
55 ILE -4.87 3.35 1
56 TRP -3.75 4.97 1
57 GLU -2.00 2.46 1
58 HIS -4.21 3.87 1
59 ASN -3.25 1.20 1
60 GLU 0.10 0.40 1
61 ILE -1.15 1.00 1
62 ASP 2.20 -1.68 1
63 THR 1.15 -1.44 1
65 THR -1.38 0.20 1
68 LYS 0.99 -0.49 1
69 PHE -5.28 3.46 1
70 GLN -5.26 4.06 1
71 GLU -3.15 1.00 1
72 LEU -0.90 -0.60 1
73 ALA -2.35 1.60 1
74 GLN 0.72 -0.12 1
76 SER -0.73 0.96 1
77 THR 1.01 -0.08 1
78 ASN -1.82 0.60 1
79 ASN 2.33 0.97 1
80 ASP -0.40 0.36 1
81 LEU 0.58 -1.96 1
83 SER 3.60 -1.23 1
84 ILE -5.44 1.42 1
85 ASN 2.29 -1.39 1
87 LEU 3.13 -0.23 1
88 SER -0.77 1.97 1
89 LYS -4.30 2.70 1
90 PHE -4.42 3.15 1
91 GLN -6.00 4.30 1
92 VAL 2.03 -2.32 1
93 LEU -2.24 1.54 1
96 ALA 1.10 -1.10 1
97 PHE -1.40 0.90 1
98 GLN -1.60 2.00 1
99 TRP -3.99 1.20 1
100 ALA -3.92 2.98 1
101 VAL -5.60 2.00 1
102 ASP -2.10 2.00 1
103 VAL -7.23 4.53 1
104 LYS -3.50 2.91 1
105 ILE -4.34 0.42 1
106 VAL -2.73 1.01 1
107 ASN -2.31 1.06 1
108 LYS 0.79 -2.33 1
109 VAL 2.20 0.04 1
110 ASN -1.57 0.67 1
111 SER -0.76 -0.15 1
112 THR 0.87 -0.97 1
113 ALA 0.35 -0.25 1
115 SER 2.60 1.70 1
116 TYR -3.98 3.50 1
117 GLU -6.31 3.64 1
118 MET -5.54 3.93 1
119 THR -1.00 0.24 1
120 ILE -1.90 1.25 1
121 THR -0.54 -0.30 1
123 TYR 2.66 -0.53 1
124 GLN 5.16 -3.50 1
125 VAL -3.23 1.72 1
126 ASP 1.05 0.47 1
127 LYS -3.43 1.95 1
128 VAL -3.76 2.83 1
129 ALA -6.77 4.03 1
131 LYS -5.52 3.50 1
132 ASP 1.62 0.11 1
134 ASP 0.08 0.45 1
135 ASP -1.42 0.53 1
136 PHE 1.55 1.70 1
137 VAL -5.26 2.53 1
138 GLN -2.21 2.90 1
139 LEU -2.44 0.61 1
141 ILE -3.76 1.20 1
143 LYS 2.20 -0.80 1
144 LEU -1.94 0.83 1
145 THR -2.28 1.43 1
148 ASP -0.17 -1.54 1
149 SER -0.69 1.35 1
150 GLU -2.52 1.32 1
151 ILE -4.85 2.72 1
152 VAL 0.12 -1.00 1
153 SER -3.78 1.92 1
154 HIS -2.39 2.05 1
155 LEU -4.73 3.28 1
156 THR -5.58 2.68 1
157 VAL -2.23 1.45 1
158 ARG -6.70 4.45 1
159 GLN 0.15 0.54 1
160 THR 0.85 -1.22 1
161 HIS -3.32 1.65 1
162 THR 0.44 -0.44 1
164 TYR 3.89 -4.04 1
165 ASP 1.20 -0.30 1
166 TYR 2.03 -0.47 1
167 VAL -0.37 -1.10 1
168 VAL -3.89 3.98 1
169 ASN 0.14 0.01 1
171 SER -3.93 2.88 1
172 VAL -3.90 2.20 1
173 TYR -3.70 1.80 1
174 PHE -6.40 4.60 1
175 LYS -4.35 3.94 1
176 TYR -5.44 1.38 1
177 SER -4.35 0.03 1
179 THR 2.60 -0.78 1
180 THR -1.79 0.94 1
182 GLN 0.60 0.20 1
183 VAL -2.47 1.62 1
184 THR -2.73 2.43 1
185 VAL -2.17 0.07 1
186 ILE -2.77 1.70 1
187 LYS -2.06 -0.04 1
188 LYS -0.40 -0.60 1
189 ASP 3.41 -0.23 1
190 GLU 2.90 -0.50 1
191 THR -1.99 1.14 1
192 PHE 0.83 0.57 1
194 LYS 2.40 -0.90 1
195 ASN 4.01 -4.10 1
196 MET -7.24 6.24 1
197 THR -5.01 2.49 1
198 VAL -4.17 1.51 1
199 THR -2.93 1.58 1
200 GLN 2.85 -2.45 1
201 ASP -2.68 4.37 1
202 ASP -0.35 -1.30 1
203 ASN 7.09 -3.31 1
204 THR -0.63 0.87 1
205 SER -0.08 -0.84 1
206 PHE -4.43 4.34 1
207 ILE -1.41 0.97 1
208 PHE -0.09 -0.70 1
209 ASN -1.56 1.29 1
210 LEU -1.48 0.08 1
211 ASN 0.72 0.98 1
212 SER -0.83 -0.11 1
213 GLU 2.27 -0.06 1
214 LYS -0.86 1.52 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6159_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -7.24
_LACS_plot.Line_1_terminator_val_y_1 0.87
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.21
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.24
_LACS_plot.Line_2_terminator_val_x_2 7.79
_LACS_plot.Line_2_terminator_val_y_2 -0.82
_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
162 THR 0.44 -1.73 0
10 LYS -5.17 0.63 1
11 PHE -3.59 0.34 1
12 PHE -3.58 0.89 1
13 PHE -1.35 0.96 1
15 LYS 0.20 -0.23 1
16 ASN 3.50 -0.32 1
18 THR -5.79 0.14 1
20 GLU 1.30 -0.46 1
21 SER -7.17 0.80 1
22 PHE -4.48 -0.30 1
23 GLU -5.88 1.11 1
24 TYR -4.77 0.17 1
25 ASN -3.20 0.25 1
26 LYS 3.26 -0.84 1
28 GLU -0.03 0.09 1
29 THR 0.37 0.31 1
30 VAL -1.35 -0.50 1
31 ARG -3.87 -0.08 1
32 PHE -3.04 0.64 1
33 ASN -4.67 0.22 1
34 ASN 2.80 -0.43 1
36 ASP -1.59 -0.14 1
37 LYS 3.45 -0.79 1
38 TRP 2.23 -0.71 1
39 ASN 3.77 -0.82 1
40 ASP 5.43 -0.48 1
41 LYS -0.91 -0.10 1
42 PHE 0.52 0.66 1
43 MET -3.58 0.70 1
44 SER -0.63 0.27 1
46 LEU -4.40 0.53 1
47 VAL -1.09 -0.17 1
49 SER 3.43 -0.53 1
50 ASN -2.02 0.44 1
51 VAL -6.35 0.90 1
52 ARG -6.11 0.08 1
54 ASN -2.00 0.71 1
55 ILE -4.87 1.21 1
56 TRP -3.75 0.87 1
57 GLU -2.00 0.38 1
58 HIS -4.21 0.37 1
59 ASN -3.25 -0.24 1
60 GLU 0.10 -0.17 1
61 ILE -1.15 -0.08 1
62 ASP 2.20 -0.21 1
63 THR 1.15 -0.10 1
65 THR -1.38 0.10 1
68 LYS 0.99 0.02 1
69 PHE -5.28 0.77 1
70 GLN -5.26 -0.44 1
71 GLU -3.15 0.10 1
72 LEU -0.90 0.26 1
73 ALA -2.35 -0.16 1
74 GLN 0.72 0.64 1
76 SER -0.73 -0.21 1
77 THR 1.01 0.01 1
78 ASN -1.82 0.24 1
79 ASN 2.33 -0.27 1
80 ASP -0.40 0.57 1
81 LEU 0.58 0.45 1
82 THR 7.80 -0.48 1
83 SER 3.60 -0.38 1
84 ILE -5.44 0.02 1
85 ASN 2.29 -0.52 1
87 LEU 3.13 -0.19 1
88 SER -0.77 0.90 1
89 LYS -4.30 0.76 1
90 PHE -4.42 1.63 1
91 GLN -6.00 0.70 1
92 VAL 2.03 0.52 1
93 LEU -2.24 0.36 1
96 ALA 1.10 -0.27 1
97 PHE -1.40 -0.17 1
98 GLN -1.60 0.10 1
99 TRP -3.99 0.22 1
100 ALA -3.92 0.42 1
101 VAL -5.60 0.54 1
102 ASP -2.10 1.06 1
103 VAL -7.23 2.12 1
104 LYS -3.50 0.39 1
105 ILE -4.34 1.60 1
106 VAL -2.73 0.23 1
107 ASN -2.31 -0.27 1
108 LYS 0.79 0.32 1
109 VAL 2.20 -0.40 1
110 ASN -1.57 0.10 1
111 SER -0.76 0.10 1
112 THR 0.87 -0.15 1
113 ALA 0.35 0.15 1
115 SER 2.60 -0.59 1
116 TYR -3.98 0.59 1
117 GLU -6.31 0.79 1
118 MET -5.54 0.95 1
119 THR -1.00 0.87 1
120 ILE -1.90 0.76 1
121 THR -0.54 0.05 1
123 TYR 2.66 -0.27 1
124 GLN 5.16 -0.91 1
125 VAL -3.23 0.09 1
126 ASP 1.05 -0.25 1
127 LYS -3.43 0.45 1
128 VAL -3.76 0.28 1
129 ALA -6.77 1.50 1
131 LYS -5.52 1.46 1
132 ASP 1.62 0.15 1
134 ASP 0.08 0.02 1
135 ASP -1.42 -0.15 1
136 PHE 1.55 -0.42 1
137 VAL -5.26 0.59 1
138 GLN -2.21 0.06 1
139 LEU -2.44 0.03 1
141 ILE -3.76 -0.12 1
143 LYS 2.20 -0.17 1
144 LEU -1.94 0.25 1
145 THR -2.28 -0.20 1
148 ASP -0.17 0.54 1
149 SER -0.69 -0.21 1
150 GLU -2.52 0.69 1
151 ILE -4.85 0.79 1
152 VAL 0.12 -0.60 1
153 SER -3.78 0.81 1
154 HIS -2.39 0.23 1
155 LEU -4.73 0.66 1
156 THR -5.58 0.69 1
157 VAL -2.23 0.94 1
158 ARG -6.70 0.89 1
159 GLN 0.15 0.16 1
160 THR 0.85 -0.17 1
161 HIS -3.32 -0.07 1
164 TYR 3.89 -0.27 1
165 ASP 1.20 0.01 1
166 TYR 2.03 0.31 1
167 VAL -0.37 0.47 1
168 VAL -3.89 0.00 1
169 ASN 0.14 0.25 1
171 SER -3.93 1.24 1
172 VAL -3.90 0.36 1
173 TYR -3.70 0.82 1
174 PHE -6.40 1.10 1
175 LYS -4.35 0.47 1
176 TYR -5.44 0.36 1
177 SER -4.35 0.00 1
179 THR 2.60 -0.05 1
180 THR -1.79 0.15 1
182 GLN 0.60 -0.28 1
183 VAL -2.47 0.67 1
184 THR -2.73 0.49 1
185 VAL -2.17 0.51 1
186 ILE -2.77 -0.07 1
187 LYS -2.06 0.13 1
188 LYS -0.40 0.25 1
189 ASP 3.41 -0.31 1
190 GLU 2.90 -0.15 1
191 THR -1.99 0.31 1
192 PHE 0.83 0.25 1
194 LYS 2.40 -0.02 1
195 ASN 4.01 -0.15 1
196 MET -7.24 1.34 1
197 THR -5.01 0.36 1
198 VAL -4.17 1.09 1
199 THR -2.93 0.16 1
200 GLN 2.85 -0.31 1
201 ASP -2.68 -0.15 1
202 ASP -0.35 -0.42 1
203 ASN 7.09 -1.01 1
204 THR -0.63 0.34 1
205 SER -0.08 1.39 1
206 PHE -4.43 0.35 1
207 ILE -1.41 0.12 1
208 PHE -0.09 0.20 1
209 ASN -1.56 0.21 1
210 LEU -1.48 0.14 1
211 ASN 0.72 -0.11 1
212 SER -0.83 -0.05 1
213 GLU 2.27 -0.41 1
214 LYS -0.86 -0.12 1
stop_
save_