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 bmr6810_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.40
_LACS_plot.Line_1_terminator_val_y_1 -2.91
_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 -1.53
_LACS_plot.Line_2_terminator_val_x_2 8.89
_LACS_plot.Line_2_terminator_val_y_2 6.61
_LACS_plot.Y_axis_chem_shift_offset 0.12
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
80 GLU 0.70 -2.30 0
175 ASP -1.10 2.70 0
176 ILE -6.40 -0.90 0
10 SER 2.70 1.60 1
12 LYS 0.60 -1.30 1
13 ARG -2.30 -1.00 1
15 TRP -4.90 -2.80 1
16 LEU -3.20 -1.20 1
17 ALA -2.40 -2.00 1
18 VAL -1.90 -1.40 1
19 ARG 2.00 1.00 1
20 ASN 0.50 0.60 1
21 ALA 3.70 3.10 1
22 SER 4.40 2.90 1
23 LEU 3.30 2.00 1
25 GLN 4.20 3.10 1
26 PHE 4.10 3.60 1
27 LEU 2.60 2.30 1
28 GLU 4.50 4.20 1
29 THR 4.70 3.80 1
30 SER 4.60 3.50 1
31 LEU 5.10 2.60 1
32 GLN 4.80 3.60 1
33 ARG 4.10 2.70 1
34 SER 0.60 1.10 1
36 ILE -0.40 -0.60 1
37 VAL 1.60 0.20 1
38 VAL -2.90 -2.50 1
39 THR -2.70 -1.20 1
40 THR 3.60 2.80 1
41 TYR 1.30 1.80 1
42 GLU -2.50 -1.80 1
44 GLN 3.60 2.00 1
45 GLU -0.70 -0.70 1
47 THR 2.70 0.80 1
49 GLU -1.90 -0.80 1
50 ASP -0.70 1.20 1
51 VAL -2.90 -0.90 1
52 LEU -0.70 -1.80 1
53 ILE -1.70 -2.50 1
54 THR -5.70 -3.60 1
55 ASP -2.00 -1.40 1
56 GLU -5.60 -1.90 1
57 VAL 1.90 1.00 1
58 VAL -0.50 -0.60 1
59 SER 1.50 0.90 1
60 LYS -2.50 -1.30 1
61 LYS 1.50 0.40 1
62 TRP -2.50 -1.10 1
63 GLN 0.90 -0.50 1
65 ARG 2.00 2.30 1
66 ALA -5.60 -1.50 1
67 VAL -4.50 -2.30 1
68 VAL -1.40 -1.10 1
69 THR -0.80 -1.00 1
70 PHE 0.00 0.50 1
72 ARG 2.80 1.90 1
73 ARG 0.80 0.00 1
74 HIS -0.50 2.90 1
75 ILE -3.10 -2.00 1
77 ILE 4.30 2.10 1
79 LEU -6.30 -1.90 1
81 LYS 2.10 1.50 1
82 ALA -1.10 -0.60 1
85 GLU -2.10 -1.30 1
86 TRP -4.40 -1.70 1
87 VAL -3.30 -2.10 1
88 HIS -5.90 -1.00 1
89 SER -0.80 -0.30 1
90 VAL 1.90 1.00 1
91 ALA 1.90 1.00 1
92 ALA -1.50 -0.80 1
94 HIS 1.70 2.60 1
95 GLU 0.20 -0.40 1
96 LEU 8.60 5.90 1
98 ALA 3.60 2.40 1
99 LEU 3.40 1.70 1
100 LEU 4.20 2.60 1
101 ALA 4.50 2.90 1
102 ARG 3.70 2.60 1
103 ILE 4.60 4.00 1
104 TYR 2.60 2.00 1
105 LEU 3.30 0.60 1
106 ILE -0.00 -0.30 1
107 GLU -0.60 -0.40 1
108 MET -0.70 -0.20 1
109 GLU -0.40 -0.10 1
110 SER -0.40 -0.30 1
111 ASP -0.40 -0.40 1
112 ASP -0.60 -0.10 1
114 ALA 1.00 0.50 1
115 ASN -0.10 -0.10 1
116 ALA -0.60 -0.40 1
117 LEU -0.20 -0.40 1
119 SER -0.10 -0.30 1
120 THR 0.20 -0.10 1
121 ASP 0.20 0.10 1
122 LYS 0.10 -0.20 1
123 ALA -0.30 -0.30 1
124 VAL 0.20 0.00 1
125 SER -0.30 -0.30 1
126 ASP 0.70 0.40 1
127 ASN 0.10 -0.20 1
128 ASP 1.30 1.00 1
129 ASP 0.00 -0.50 1
130 MET -4.00 -1.80 1
131 MET -1.30 -2.10 1
132 ILE -2.30 -2.60 1
133 LEU -5.30 -2.40 1
134 VAL -1.40 -0.70 1
135 VAL -1.00 -2.20 1
136 ASP -0.60 1.00 1
137 ASP -0.10 0.50 1
138 HIS -1.80 1.50 1
140 ILE 4.00 2.40 1
141 ASN 4.60 3.10 1
142 ARG 3.30 3.90 1
143 ARG 2.90 2.00 1
144 LEU 3.80 3.10 1
145 LEU 2.70 2.30 1
146 ALA 4.30 3.00 1
147 ASP 4.20 3.00 1
148 GLN 4.10 3.80 1
149 LEU 5.30 3.50 1
151 SER 4.20 2.90 1
152 LEU -1.20 -0.70 1
154 TYR -0.40 0.10 1
155 GLN -1.20 0.00 1
157 LYS -5.70 -2.20 1
158 THR -4.50 -2.40 1
159 ALA -5.30 -2.00 1
160 ASN 0.90 1.00 1
161 ASP -1.60 -1.20 1
163 VAL 6.00 4.40 1
164 ASP 1.60 2.40 1
165 ALA 2.40 2.90 1
166 LEU 4.30 2.80 1
167 ASN 4.00 3.10 1
168 VAL 8.00 6.30 1
169 LEU 2.70 2.40 1
170 SER 2.20 1.90 1
171 LYS -2.50 -0.20 1
172 ASN -5.30 -1.00 1
173 HIS 2.00 2.10 1
174 ILE -3.70 -4.10 1
177 VAL -3.00 -1.60 1
178 LEU -4.30 -1.80 1
179 SER -5.60 -2.90 1
180 ASP 0.20 1.20 1
181 VAL 4.20 2.70 1
182 ASN -0.00 0.20 1
183 MET -2.80 0.60 1
189 TYR 3.90 1.70 1
190 ARG 3.70 2.70 1
191 LEU 4.30 3.60 1
192 THR 8.90 7.00 1
193 GLN 4.70 3.90 1
194 ARG 4.30 1.90 1
195 ILE 6.00 5.40 1
196 ARG 3.90 0.80 1
197 GLN 4.00 2.90 1
198 LEU 0.10 0.40 1
200 LEU 0.70 -0.20 1
201 THR 0.20 -0.80 1
202 LEU 4.20 1.50 1
204 VAL -2.60 -1.00 1
205 ILE -3.20 -2.10 1
207 VAL -2.00 -1.60 1
208 THR -3.90 -3.00 1
209 ALA -2.40 -2.10 1
210 ASN -1.20 -0.80 1
211 ALA 0.60 -0.30 1
212 LEU 0.90 0.70 1
213 ALA 0.70 -0.20 1
214 GLU 2.70 2.20 1
215 GLU 1.30 1.60 1
216 LYS 5.40 4.10 1
217 GLN 4.90 3.00 1
218 ARG 4.50 3.30 1
220 LEU 3.60 2.80 1
221 GLU 2.80 2.10 1
222 SER 1.60 2.20 1
224 MET 1.60 1.70 1
225 ASP 1.70 3.40 1
226 SER -2.20 -1.50 1
228 LEU -4.10 -2.10 1
229 SER -2.10 -1.30 1
230 LYS -0.80 0.10 1
232 VAL 0.70 -0.30 1
233 THR -2.90 -1.90 1
234 LEU 3.30 2.60 1
235 ASP 3.90 3.20 1
236 VAL 5.00 3.80 1
237 ILE 5.20 3.50 1
238 LYS 3.70 3.40 1
239 GLN 3.90 3.10 1
240 THR 6.40 5.30 1
241 LEU 5.20 2.50 1
242 THR 6.20 5.30 1
243 LEU 3.70 2.90 1
244 TYR 5.00 4.80 1
245 ALA 4.00 3.30 1
246 GLU 3.00 2.10 1
247 ARG 4.20 3.40 1
248 VAL 5.20 3.80 1
249 ARG 5.70 4.50 1
250 LYS 3.60 2.50 1
251 SER 1.90 1.80 1
252 ARG 1.90 1.60 1
253 ASP 0.60 0.50 1
254 SER 1.10 0.70 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6810_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.40
_LACS_plot.Line_1_terminator_val_y_1 3.49
_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 0.47
_LACS_plot.Line_2_terminator_val_x_2 8.89
_LACS_plot.Line_2_terminator_val_y_2 -2.28
_LACS_plot.Y_axis_chem_shift_offset 0.12
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
80 GLU 0.70 -3.00 0
175 ASP -1.10 3.80 0
176 ILE -6.40 5.50 0
10 SER 2.70 -1.10 1
12 LYS 0.60 -1.90 1
13 ARG -2.30 1.30 1
15 TRP -4.90 2.10 1
16 LEU -3.20 2.00 1
17 ALA -2.40 0.40 1
18 VAL -1.90 0.50 1
19 ARG 2.00 -1.00 1
20 ASN 0.50 0.10 1
21 ALA 3.70 -0.60 1
22 SER 4.40 -1.50 1
23 LEU 3.30 -1.30 1
25 GLN 4.20 -1.10 1
26 PHE 4.10 -0.50 1
27 LEU 2.60 -0.30 1
28 GLU 4.50 -0.30 1
29 THR 4.70 -0.90 1
30 SER 4.60 -1.10 1
31 LEU 5.10 -2.50 1
32 GLN 4.80 -1.20 1
33 ARG 4.10 -1.40 1
34 SER 0.60 0.50 1
36 ILE -0.40 -0.20 1
37 VAL 1.60 -1.40 1
38 VAL -2.90 0.40 1
39 THR -2.70 1.50 1
40 THR 3.60 -0.80 1
41 TYR 1.30 0.50 1
42 GLU -2.50 0.70 1
44 GLN 3.60 -1.60 1
45 GLU -0.70 0.00 1
47 THR 2.70 -1.90 1
49 GLU -1.90 1.10 1
50 ASP -0.70 1.90 1
51 VAL -2.90 2.00 1
52 LEU -0.70 -1.10 1
53 ILE -1.70 -0.80 1
54 THR -5.70 2.10 1
55 ASP -2.00 0.60 1
56 GLU -5.60 3.70 1
57 VAL 1.90 -0.90 1
58 VAL -0.50 -0.10 1
59 SER 1.50 -0.60 1
60 LYS -2.50 1.20 1
61 LYS 1.50 -1.10 1
62 TRP -2.50 1.40 1
63 GLN 0.90 -1.40 1
65 ARG 2.00 0.30 1
66 ALA -5.60 4.10 1
67 VAL -4.50 2.20 1
68 VAL -1.40 0.30 1
69 THR -0.80 -0.20 1
70 PHE 0.00 0.50 1
72 ARG 2.80 -0.90 1
73 ARG 0.80 -0.80 1
74 HIS -0.50 3.40 1
75 ILE -3.10 1.10 1
77 ILE 4.30 -2.20 1
79 LEU -6.30 4.40 1
81 LYS 2.10 -0.60 1
82 ALA -1.10 0.50 1
85 GLU -2.10 0.80 1
86 TRP -4.40 2.70 1
87 VAL -3.30 1.20 1
88 HIS -5.90 4.90 1
89 SER -0.80 0.50 1
90 VAL 1.90 -0.90 1
91 ALA 1.90 -0.90 1
92 ALA -1.50 0.70 1
94 HIS 1.70 0.90 1
95 GLU 0.20 -0.60 1
96 LEU 8.60 -2.70 1
98 ALA 3.60 -1.20 1
99 LEU 3.40 -1.70 1
100 LEU 4.20 -1.60 1
101 ALA 4.50 -1.60 1
102 ARG 3.70 -1.10 1
103 ILE 4.60 -0.60 1
104 TYR 2.60 -0.60 1
105 LEU 3.30 -2.70 1
106 ILE -0.00 -0.30 1
107 GLU -0.60 0.20 1
108 MET -0.70 0.50 1
109 GLU -0.40 0.30 1
110 SER -0.40 0.10 1
111 ASP -0.40 0.00 1
112 ASP -0.60 0.50 1
114 ALA 1.00 -0.50 1
115 ASN -0.10 0.00 1
116 ALA -0.60 0.20 1
117 LEU -0.20 -0.20 1
119 SER -0.10 -0.20 1
120 THR 0.20 -0.30 1
121 ASP 0.20 -0.10 1
122 LYS 0.10 -0.30 1
123 ALA -0.30 0.00 1
124 VAL 0.20 -0.20 1
125 SER -0.30 0.00 1
126 ASP 0.70 -0.30 1
127 ASN 0.10 -0.30 1
128 ASP 1.30 -0.30 1
129 ASP 0.00 -0.50 1
130 MET -4.00 2.20 1
131 MET -1.30 -0.80 1
132 ILE -2.30 -0.30 1
133 LEU -5.30 2.90 1
134 VAL -1.40 0.70 1
135 VAL -1.00 -1.20 1
136 ASP -0.60 1.60 1
137 ASP -0.10 0.60 1
138 HIS -1.80 3.30 1
140 ILE 4.00 -1.60 1
141 ASN 4.60 -1.50 1
142 ARG 3.30 0.60 1
143 ARG 2.90 -0.90 1
144 LEU 3.80 -0.70 1
145 LEU 2.70 -0.40 1
146 ALA 4.30 -1.30 1
147 ASP 4.20 -1.20 1
148 GLN 4.10 -0.30 1
149 LEU 5.30 -1.80 1
151 SER 4.20 -1.30 1
152 LEU -1.20 0.50 1
154 TYR -0.40 0.50 1
155 GLN -1.20 1.20 1
157 LYS -5.70 3.50 1
158 THR -4.50 2.10 1
159 ALA -5.30 3.30 1
160 ASN 0.90 0.10 1
161 ASP -1.60 0.40 1
163 VAL 6.00 -1.60 1
164 ASP 1.60 0.80 1
165 ALA 2.40 0.50 1
166 LEU 4.30 -1.50 1
167 ASN 4.00 -0.90 1
168 VAL 8.00 -1.70 1
169 LEU 2.70 -0.30 1
170 SER 2.20 -0.30 1
171 LYS -2.50 2.30 1
172 ASN -5.30 4.30 1
173 HIS 2.00 0.10 1
174 ILE -3.70 -0.40 1
177 VAL -3.00 1.40 1
178 LEU -4.30 2.50 1
179 SER -5.60 2.70 1
180 ASP 0.20 1.00 1
181 VAL 4.20 -1.50 1
182 ASN -0.00 0.20 1
183 MET -2.80 3.40 1
189 TYR 3.90 -2.20 1
190 ARG 3.70 -1.00 1
191 LEU 4.30 -0.70 1
192 THR 8.90 -1.90 1
193 GLN 4.70 -0.80 1
194 ARG 4.30 -2.40 1
195 ILE 6.00 -0.60 1
196 ARG 3.90 -3.10 1
197 GLN 4.00 -1.10 1
198 LEU 0.10 0.30 1
200 LEU 0.70 -0.90 1
201 THR 0.20 -1.00 1
202 LEU 4.20 -2.70 1
204 VAL -2.60 1.60 1
205 ILE -3.20 1.10 1
207 VAL -2.00 0.40 1
208 THR -3.90 0.90 1
209 ALA -2.40 0.30 1
210 ASN -1.20 0.40 1
211 ALA 0.60 -0.90 1
212 LEU 0.90 -0.20 1
213 ALA 0.70 -0.90 1
214 GLU 2.70 -0.50 1
215 GLU 1.30 0.30 1
216 LYS 5.40 -1.30 1
217 GLN 4.90 -1.90 1
218 ARG 4.50 -1.20 1
220 LEU 3.60 -0.80 1
221 GLU 2.80 -0.70 1
222 SER 1.60 0.60 1
224 MET 1.60 0.10 1
225 ASP 1.70 1.70 1
226 SER -2.20 0.70 1
228 LEU -4.10 2.00 1
229 SER -2.10 0.80 1
230 LYS -0.80 0.90 1
232 VAL 0.70 -1.00 1
233 THR -2.90 1.00 1
234 LEU 3.30 -0.70 1
235 ASP 3.90 -0.70 1
236 VAL 5.00 -1.20 1
237 ILE 5.20 -1.70 1
238 LYS 3.70 -0.30 1
239 GLN 3.90 -0.80 1
240 THR 6.40 -1.10 1
241 LEU 5.20 -2.70 1
242 THR 6.20 -0.90 1
243 LEU 3.70 -0.80 1
244 TYR 5.00 -0.20 1
245 ALA 4.00 -0.70 1
246 GLU 3.00 -0.90 1
247 ARG 4.20 -0.80 1
248 VAL 5.20 -1.40 1
249 ARG 5.70 -1.20 1
250 LYS 3.60 -1.10 1
251 SER 1.90 -0.10 1
252 ARG 1.90 -0.30 1
253 ASP 0.60 -0.10 1
254 SER 1.10 -0.40 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6810_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.40
_LACS_plot.Line_1_terminator_val_y_1 0.66
_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 0.25
_LACS_plot.Line_2_terminator_val_x_2 8.89
_LACS_plot.Line_2_terminator_val_y_2 -0.78
_LACS_plot.Y_axis_chem_shift_offset -0.06
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
174 ILE -3.70 -0.45 0
88 HIS -5.90 -0.26 0
10 SER 2.70 -0.47 1
12 LYS 0.60 -0.14 1
13 ARG -2.30 0.69 1
15 TRP -4.90 0.88 1
16 LEU -3.20 0.78 1
17 ALA -2.40 0.74 1
18 VAL -1.90 0.37 1
19 ARG 2.00 -0.25 1
20 ASN 0.50 -0.25 1
21 ALA 3.70 -0.27 1
22 SER 4.40 -0.28 1
23 LEU 3.30 -0.20 1
25 GLN 4.20 -0.25 1
26 PHE 4.10 -0.48 1
27 LEU 2.60 -0.51 1
28 GLU 4.50 -0.66 1
29 THR 4.70 -0.40 1
30 SER 4.60 -0.54 1
31 LEU 5.10 -0.35 1
32 GLN 4.80 -0.01 1
33 ARG 4.10 -0.20 1
34 SER 0.60 0.05 1
36 ILE -0.40 -0.15 1
37 VAL 1.60 -0.27 1
38 VAL -2.90 0.74 1
39 THR -2.70 0.26 1
40 THR 3.60 0.12 1
41 TYR 1.30 0.30 1
42 GLU -2.50 0.04 1
44 GLN 3.60 -0.50 1
45 GLU -0.70 -0.21 1
47 THR 2.70 0.25 1
49 GLU -1.90 0.30 1
50 ASP -0.70 0.61 1
51 VAL -2.90 1.10 1
52 LEU -0.70 0.34 1
53 ILE -1.70 0.87 1
54 THR -5.70 0.79 1
55 ASP -2.00 0.70 1
56 GLU -5.60 0.40 1
57 VAL 1.90 -0.24 1
58 VAL -0.50 0.11 1
59 SER 1.50 -0.07 1
60 LYS -2.50 0.11 1
61 LYS 1.50 -0.23 1
62 TRP -2.50 0.15 1
63 GLN 0.90 -0.10 1
65 ARG 2.00 -0.20 1
66 ALA -5.60 0.99 1
67 VAL -4.50 0.74 1
68 VAL -1.40 0.29 1
69 THR -0.80 0.70 1
70 PHE 0.00 0.20 1
72 ARG 2.80 -0.39 1
73 ARG 0.80 -0.03 1
74 HIS -0.50 -0.38 1
75 ILE -3.10 0.06 1
77 ILE 4.30 -0.14 1
79 LEU -6.30 0.37 1
80 GLU 0.70 -0.75 1
81 LYS 2.10 -0.48 1
82 ALA -1.10 -0.24 1
85 GLU -2.10 0.67 1
86 TRP -4.40 0.71 1
87 VAL -3.30 0.92 1
89 SER -0.80 0.51 1
90 VAL 1.90 0.18 1
91 ALA 1.90 -0.07 1
92 ALA -1.50 0.37 1
94 HIS 1.70 -0.12 1
95 GLU 0.20 0.11 1
96 LEU 8.60 -0.30 1
98 ALA 3.60 -0.22 1
99 LEU 3.40 -0.26 1
100 LEU 4.20 -0.68 1
101 ALA 4.50 -0.36 1
102 ARG 3.70 -0.23 1
103 ILE 4.60 -0.64 1
104 TYR 2.60 -0.19 1
105 LEU 3.30 -0.20 1
106 ILE -0.00 -0.05 1
107 GLU -0.60 -0.07 1
108 MET -0.70 0.01 1
109 GLU -0.40 -0.04 1
110 SER -0.40 -0.02 1
111 ASP -0.40 -0.02 1
112 ASP -0.60 -0.13 1
114 ALA 1.00 -0.12 1
115 ASN -0.10 -0.05 1
116 ALA -0.60 -0.02 1
117 LEU -0.20 -0.10 1
119 SER -0.10 -0.02 1
120 THR 0.20 0.06 1
121 ASP 0.20 -0.10 1
122 LYS 0.10 -0.07 1
123 ALA -0.30 -0.04 1
124 VAL 0.20 -0.02 1
125 SER -0.30 -0.02 1
126 ASP 0.70 -0.11 1
127 ASN 0.10 -0.16 1
128 ASP 1.30 -0.13 1
129 ASP 0.00 -0.13 1
130 MET -4.00 0.48 1
131 MET -1.30 0.66 1
132 ILE -2.30 0.67 1
133 LEU -5.30 0.66 1
134 VAL -1.40 0.56 1
135 VAL -1.00 0.57 1
136 ASP -0.60 -0.13 1
137 ASP -0.10 0.05 1
138 HIS -1.80 -0.31 1
140 ILE 4.00 -0.24 1
141 ASN 4.60 -0.36 1
142 ARG 3.30 -0.51 1
143 ARG 2.90 -0.34 1
144 LEU 3.80 -0.18 1
145 LEU 2.70 -0.04 1
146 ALA 4.30 -0.13 1
147 ASP 4.20 -0.19 1
148 GLN 4.10 0.38 1
149 LEU 5.30 -0.38 1
151 SER 4.20 -0.10 1
152 LEU -1.20 0.06 1
154 TYR -0.40 0.07 1
155 GLN -1.20 0.21 1
157 LYS -5.70 0.35 1
158 THR -4.50 1.26 1
159 ALA -5.30 0.36 1
160 ASN 0.90 -0.09 1
161 ASP -1.60 0.32 1
163 VAL 6.00 -0.63 1
164 ASP 1.60 -0.16 1
165 ALA 2.40 -0.70 1
166 LEU 4.30 -0.47 1
167 ASN 4.00 -0.27 1
168 VAL 8.00 -0.59 1
169 LEU 2.70 -0.36 1
170 SER 2.20 -0.13 1
171 LYS -2.50 0.23 1
172 ASN -5.30 0.25 1
173 HIS 2.00 -0.37 1
175 ASP -1.10 0.15 1
176 ILE -6.40 0.17 1
177 VAL -3.00 0.48 1
178 LEU -4.30 0.93 1
179 SER -5.60 0.89 1
180 ASP 0.20 0.23 1
181 VAL 4.20 -0.47 1
182 ASN -0.00 0.24 1
183 MET -2.80 -0.02 1
189 TYR 3.90 -0.06 1
190 ARG 3.70 -0.20 1
191 LEU 4.30 -0.18 1
192 THR 8.90 -0.80 1
193 GLN 4.70 -0.27 1
194 ARG 4.30 -0.25 1
195 ILE 6.00 -0.72 1
196 ARG 3.90 -0.11 1
197 GLN 4.00 -0.25 1
198 LEU 0.10 -0.15 1
200 LEU 0.70 0.19 1
201 THR 0.20 -0.04 1
202 LEU 4.20 -0.15 1
204 VAL -2.60 0.43 1
205 ILE -3.20 0.35 1
207 VAL -2.00 0.74 1
208 THR -3.90 0.37 1
209 ALA -2.40 -0.01 1
210 ASN -1.20 0.00 1
211 ALA 0.60 0.00 1
212 LEU 0.90 -0.08 1
213 ALA 0.70 -0.07 1
214 GLU 2.70 -0.19 1
215 GLU 1.30 -0.13 1
216 LYS 5.40 -0.34 1
217 GLN 4.90 -0.33 1
218 ARG 4.50 -0.46 1
220 LEU 3.60 -0.08 1
221 GLU 2.80 -0.34 1
222 SER 1.60 -0.45 1
224 MET 1.60 -0.49 1
225 ASP 1.70 -0.27 1
226 SER -2.20 0.02 1
228 LEU -4.10 0.30 1
229 SER -2.10 0.42 1
230 LYS -0.80 -0.35 1
232 VAL 0.70 0.06 1
233 THR -2.90 0.17 1
234 LEU 3.30 -0.39 1
235 ASP 3.90 -0.33 1
236 VAL 5.00 -0.32 1
237 ILE 5.20 -0.57 1
238 LYS 3.70 -0.32 1
239 GLN 3.90 -0.26 1
240 THR 6.40 -0.40 1
241 LEU 5.20 -0.36 1
242 THR 6.20 -0.36 1
243 LEU 3.70 -0.33 1
244 TYR 5.00 -0.35 1
245 ALA 4.00 -0.15 1
246 GLU 3.00 -0.22 1
247 ARG 4.20 -0.31 1
248 VAL 5.20 -0.35 1
249 ARG 5.70 -0.53 1
250 LYS 3.60 -0.18 1
251 SER 1.90 -0.07 1
252 ARG 1.90 -0.12 1
253 ASP 0.60 -0.04 1
254 SER 1.10 0.14 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6810_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.40
_LACS_plot.Line_1_terminator_val_y_1 -3.19
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.73
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.10
_LACS_plot.Line_2_terminator_val_x_2 8.59
_LACS_plot.Line_2_terminator_val_y_2 3.62
_LACS_plot.Y_axis_chem_shift_offset 0.21
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
96 LEU 8.60 -1.10 0
10 SER 2.70 2.00 1
12 LYS 0.60 -2.10 1
13 ARG -2.30 -0.50 1
15 TRP -4.90 -0.50 1
16 LEU -3.20 -1.60 1
17 ALA -2.40 -2.20 1
18 VAL -1.90 -1.80 1
19 ARG 2.00 1.50 1
20 ASN 0.50 0.00 1
21 ALA 3.70 2.20 1
22 SER 4.40 2.60 1
23 LEU 3.30 -0.10 1
25 GLN 4.20 2.50 1
26 PHE 4.10 3.20 1
27 LEU 2.60 0.40 1
28 GLU 4.50 1.90 1
29 THR 4.70 2.10 1
30 SER 4.60 3.30 1
31 LEU 5.10 2.20 1
32 GLN 4.80 4.40 1
33 ARG 4.10 1.50 1
34 SER 0.60 -1.30 1
36 ILE -0.40 -1.10 1
37 VAL 1.60 -1.90 1
38 VAL -2.90 -0.70 1
39 THR -2.70 -0.90 1
40 THR 3.60 -0.70 1
41 TYR 1.30 -0.70 1
42 GLU -2.50 -0.90 1
44 GLN 3.60 -0.30 1
45 GLU -0.70 -0.50 1
47 THR 2.70 1.60 1
49 GLU -1.90 0.80 1
50 ASP -0.70 1.10 1
51 VAL -2.90 -2.50 1
52 LEU -0.70 -4.20 1
53 ILE -1.70 -2.20 1
54 THR -5.70 -3.20 1
55 ASP -2.00 -1.30 1
56 GLU -5.60 -1.50 1
57 VAL 1.90 0.30 1
58 VAL -0.50 0.10 1
59 SER 1.50 -0.70 1
60 LYS -2.50 -1.40 1
61 LYS 1.50 0.00 1
62 TRP -2.50 0.90 1
63 GLN 0.90 -0.70 1
65 ARG 2.00 0.30 1
66 ALA -5.60 -3.70 1
67 VAL -4.50 -1.80 1
68 VAL -1.40 -2.40 1
69 THR -0.80 0.10 1
70 PHE 0.00 -0.40 1
72 ARG 2.80 3.10 1
73 ARG 0.80 2.00 1
74 HIS -0.50 -0.10 1
75 ILE -3.10 -1.00 1
77 ILE 4.30 -0.70 1
79 LEU -6.30 -3.50 1
80 GLU 0.70 -0.90 1
81 LYS 2.10 -1.10 1
82 ALA -1.10 -0.80 1
85 GLU -2.10 -2.70 1
86 TRP -4.40 0.50 1
87 VAL -3.30 -3.60 1
88 HIS -5.90 0.30 1
89 SER -0.80 3.80 1
90 VAL 1.90 -1.20 1
91 ALA 1.90 -0.20 1
92 ALA -1.50 -1.10 1
94 HIS 1.70 1.80 1
95 GLU 0.20 1.30 1
98 ALA 3.60 2.80 1
99 LEU 3.40 1.10 1
100 LEU 4.20 0.20 1
101 ALA 4.50 1.10 1
102 ARG 3.70 3.40 1
103 ILE 4.60 1.30 1
104 TYR 2.60 -1.10 1
105 LEU 3.30 -0.90 1
106 ILE -0.00 -0.30 1
107 GLU -0.60 -0.50 1
108 MET -0.70 -0.20 1
109 GLU -0.40 -0.20 1
110 SER -0.40 -0.50 1
111 ASP -0.40 -0.80 1
112 ASP -0.60 0.10 1
114 ALA 1.00 0.20 1
115 ASN -0.10 -0.50 1
116 ALA -0.60 -0.50 1
117 LEU -0.20 -0.40 1
119 SER -0.10 0.40 1
120 THR 0.20 -0.50 1
121 ASP 0.20 -0.30 1
122 LYS 0.10 -0.60 1
123 ALA -0.30 -0.10 1
124 VAL 0.20 -0.10 1
125 SER -0.30 -0.20 1
126 ASP 0.70 -0.40 1
127 ASN 0.10 -0.70 1
128 ASP 1.30 -0.70 1
129 ASP 0.00 -0.90 1
130 MET -4.00 -2.60 1
131 MET -1.30 -1.30 1
132 ILE -2.30 -1.90 1
133 LEU -5.30 -3.90 1
134 VAL -1.40 -2.20 1
135 VAL -1.00 -1.50 1
136 ASP -0.60 -1.50 1
137 ASP -0.10 -0.60 1
138 HIS -1.80 1.80 1
140 ILE 4.00 1.80 1
141 ASN 4.60 0.10 1
142 ARG 3.30 0.40 1
143 ARG 2.90 1.60 1
144 LEU 3.80 2.20 1
145 LEU 2.70 1.20 1
146 ALA 4.30 3.50 1
147 ASP 4.20 3.70 1
148 GLN 4.10 3.70 1
149 LEU 5.30 2.40 1
151 SER 4.20 0.60 1
152 LEU -1.20 -0.90 1
154 TYR -0.40 0.40 1
155 GLN -1.20 -0.80 1
157 LYS -5.70 -1.50 1
158 THR -4.50 -1.70 1
159 ALA -5.30 -1.20 1
160 ASN 0.90 -1.40 1
161 ASP -1.60 0.50 1
163 VAL 6.00 3.00 1
164 ASP 1.60 2.00 1
165 ALA 2.40 1.00 1
166 LEU 4.30 2.10 1
167 ASN 4.00 3.10 1
168 VAL 8.00 3.30 1
169 LEU 2.70 -0.20 1
170 SER 2.20 0.60 1
171 LYS -2.50 -1.30 1
172 ASN -5.30 -2.40 1
173 HIS 2.00 -0.40 1
174 ILE -3.70 -2.80 1
175 ASP -1.10 -1.20 1
176 ILE -6.40 -3.60 1
177 VAL -3.00 -3.30 1
178 LEU -4.30 -2.80 1
179 SER -5.60 -0.20 1
180 ASP 0.20 1.10 1
181 VAL 4.20 -2.40 1
182 ASN -0.00 -1.70 1
183 MET -2.80 -1.40 1
189 TYR 3.90 -2.20 1
190 ARG 3.70 3.20 1
193 GLN 4.70 3.60 1
194 ARG 4.30 2.10 1
195 ILE 6.00 1.70 1
196 ARG 3.90 5.60 1
197 GLN 4.00 2.30 1
198 LEU 0.10 -0.40 1
200 LEU 0.70 1.30 1
201 THR 0.20 -0.40 1
202 LEU 4.20 -3.20 1
204 VAL -2.60 -2.00 1
205 ILE -3.20 -1.60 1
207 VAL -2.00 -1.30 1
208 THR -3.90 -2.10 1
209 ALA -2.40 -0.20 1
211 ALA 0.60 -0.50 1
212 LEU 0.90 -2.40 1
213 ALA 0.70 0.10 1
214 GLU 2.70 2.00 1
215 GLU 1.30 1.80 1
216 LYS 5.40 1.70 1
217 GLN 4.90 2.00 1
218 ARG 4.50 3.90 1
220 LEU 3.60 4.00 1
221 GLU 2.80 1.70 1
222 SER 1.60 -1.20 1
224 MET 1.60 -2.80 1
225 ASP 1.70 -0.10 1
226 SER -2.20 -2.50 1
228 LEU -4.10 -2.30 1
229 SER -2.10 -1.10 1
230 LYS -0.80 0.20 1
232 VAL 0.70 -0.10 1
233 THR -2.90 0.50 1
234 LEU 3.30 0.70 1
235 ASP 3.90 2.30 1
236 VAL 5.00 3.60 1
237 ILE 5.20 0.40 1
238 LYS 3.70 2.90 1
239 GLN 3.90 2.50 1
240 THR 6.40 0.90 1
241 LEU 5.20 1.20 1
242 THR 6.20 1.30 1
243 LEU 3.70 2.00 1
244 TYR 5.00 0.90 1
245 ALA 4.00 1.90 1
246 GLU 3.00 2.10 1
247 ARG 4.20 3.20 1
248 VAL 5.20 2.90 1
249 ARG 5.70 2.70 1
250 LYS 3.60 1.90 1
251 SER 1.90 0.90 1
252 ARG 1.90 0.60 1
253 ASP 0.60 0.40 1
254 SER 1.10 0.10 1
stop_
save_