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 bmr17403_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -6.78
_LACS_plot.Line_1_terminator_val_y_1 -2.50
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.66
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -1.63
_LACS_plot.Line_2_terminator_val_x_2 6.65
_LACS_plot.Line_2_terminator_val_y_2 5.18
_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
87 ARG 2.29 -1.87 0
10 HIS -0.03 0.40 1
11 LYS 0.09 0.08 1
12 ILE -1.08 -0.58 1
13 ASP -1.91 -1.53 1
14 TYR 5.18 3.20 1
16 LEU 3.96 2.99 1
17 TYR 1.35 0.85 1
18 ALA 2.70 2.81 1
19 LEU 4.39 3.19 1
20 GLU 3.87 3.95 1
21 ILE 3.93 2.61 1
22 LEU 3.49 2.95 1
23 ALA 4.66 3.39 1
24 GLN 4.66 3.38 1
25 TYR 4.13 3.41 1
26 HIS -0.03 1.99 1
27 ASN 3.11 1.48 1
28 VAL -2.37 -1.24 1
29 SER 0.03 -0.15 1
30 VAL -3.27 -1.91 1
31 ASN -2.03 -2.07 1
33 GLU 3.56 2.82 1
34 GLU 2.26 2.07 1
35 ILE 4.27 1.32 1
36 LYS 4.75 4.00 1
37 HIS 3.13 3.05 1
38 ARG 1.26 2.00 1
39 PHE 0.13 1.26 1
40 ASP -0.92 -1.45 1
41 THR 3.94 3.06 1
42 ASP -0.66 -0.33 1
44 THR 0.14 0.11 1
46 LEU 0.71 0.73 1
48 LEU 5.68 4.10 1
49 THR 6.65 5.06 1
50 SER 4.32 3.83 1
51 TRP 5.03 5.78 1
52 LEU 4.59 3.51 1
53 LEU 3.02 2.58 1
54 ALA 2.85 1.52 1
55 ALA 3.77 2.95 1
56 LYS 4.22 3.28 1
57 SER 4.40 3.16 1
58 LEU -0.16 -0.92 1
59 GLU 4.50 0.98 1
60 LEU -1.17 -1.32 1
61 LYS -0.25 -1.05 1
62 VAL -6.78 -3.94 1
63 LYS -3.46 -0.41 1
64 GLN -1.26 -0.89 1
65 VAL -5.53 -2.57 1
66 LYS -1.15 -1.28 1
67 LYS -6.73 -3.15 1
68 THR 0.03 -0.10 1
69 ILE 4.42 3.65 1
70 ASP 2.65 1.56 1
71 ARG 0.31 -0.91 1
72 LEU 3.07 1.50 1
73 ASN 2.39 1.52 1
74 PHE -0.78 -0.59 1
75 ILE -2.28 -1.00 1
76 SER 0.54 0.23 1
77 LEU -1.76 -0.90 1
79 ALA -6.19 -1.50 1
80 LEU -3.47 -0.83 1
81 VAL 3.76 0.98 1
82 TRP -2.70 -2.19 1
83 ARG -4.91 -1.26 1
84 GLU 2.34 1.93 1
85 ASP -0.12 -1.43 1
88 HIS -3.11 -0.37 1
89 PHE -2.56 -1.22 1
90 ILE -3.06 -1.02 1
91 LEU -2.51 -0.56 1
92 THR 2.78 1.94 1
93 LYS -2.38 1.09 1
94 VAL -1.41 -0.76 1
95 SER -1.04 -1.79 1
96 LYS 3.52 2.68 1
97 GLU 2.86 1.74 1
98 ALA -0.86 -1.05 1
99 ASN 1.77 0.59 1
100 ARG -5.06 -1.17 1
101 TYR -2.37 -0.50 1
102 LEU -0.17 -0.02 1
103 ILE -6.53 -2.81 1
104 PHE 0.65 2.01 1
105 ASP -2.05 -0.30 1
106 LEU 2.38 1.69 1
107 GLU 1.60 1.77 1
108 GLN 0.58 0.27 1
109 ARG 5.05 1.18 1
110 ASN -4.39 -0.22 1
112 ARG -4.15 -0.08 1
113 VAL -0.32 -0.47 1
114 LEU -3.95 -1.64 1
115 GLU -1.88 -1.26 1
116 GLN 6.45 5.44 1
117 SER 4.98 3.09 1
118 GLU 0.79 1.71 1
119 PHE 4.56 4.53 1
120 GLU 3.42 3.18 1
121 ALA 1.90 1.31 1
122 LEU -3.11 -0.37 1
123 TYR 1.30 1.63 1
124 GLN -1.09 -0.96 1
126 HIS -4.02 -0.28 1
127 ILE -6.54 -2.23 1
128 ILE -0.95 -0.91 1
129 LEU -2.09 -1.79 1
130 ILE -3.14 -1.03 1
131 ALA -4.89 -1.76 1
132 SER -1.66 -0.74 1
133 ARG 1.56 1.27 1
134 SER 0.72 0.56 1
135 SER 0.78 0.61 1
136 VAL 0.65 0.31 1
137 ALA 0.18 0.29 1
139 LYS 0.03 0.05 1
140 LEU -0.07 -0.12 1
141 ALA -0.43 -0.23 1
142 LYS 0.75 1.43 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17403_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -6.78
_LACS_plot.Line_1_terminator_val_y_1 4.28
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -1.34
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.37
_LACS_plot.Line_2_terminator_val_x_2 6.65
_LACS_plot.Line_2_terminator_val_y_2 -1.47
_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
87 ARG 2.29 -4.16 0
10 HIS -0.03 0.43 1
11 LYS 0.09 -0.01 1
12 ILE -1.08 0.50 1
13 ASP -1.91 0.38 1
14 TYR 5.18 -1.98 1
16 LEU 3.96 -0.97 1
17 TYR 1.35 -0.50 1
18 ALA 2.70 0.11 1
19 LEU 4.39 -1.20 1
20 GLU 3.87 0.08 1
21 ILE 3.93 -1.32 1
22 LEU 3.49 -0.54 1
23 ALA 4.66 -1.27 1
24 GLN 4.66 -1.28 1
25 TYR 4.13 -0.72 1
26 HIS -0.03 2.02 1
27 ASN 3.11 -1.63 1
28 VAL -2.37 1.13 1
29 SER 0.03 -0.18 1
30 VAL -3.27 1.36 1
31 ASN -2.03 -0.04 1
33 GLU 3.56 -0.74 1
34 GLU 2.26 -0.19 1
35 ILE 4.27 -2.95 1
36 LYS 4.75 -0.75 1
37 HIS 3.13 -0.08 1
38 ARG 1.26 0.74 1
39 PHE 0.13 1.13 1
40 ASP -0.92 -0.53 1
41 THR 3.94 -0.88 1
42 ASP -0.66 0.33 1
44 THR 0.14 -0.03 1
46 LEU 0.71 0.02 1
48 LEU 5.68 -1.58 1
49 THR 6.65 -1.59 1
50 SER 4.32 -0.49 1
51 TRP 5.03 0.75 1
52 LEU 4.59 -1.08 1
53 LEU 3.02 -0.44 1
54 ALA 2.85 -1.33 1
55 ALA 3.77 -0.82 1
56 LYS 4.22 -0.94 1
57 SER 4.40 -1.24 1
58 LEU -0.16 -0.76 1
59 GLU 4.50 -3.52 1
60 LEU -1.17 -0.15 1
61 LYS -0.25 -0.80 1
62 VAL -6.78 2.84 1
63 LYS -3.46 3.05 1
64 GLN -1.26 0.37 1
65 VAL -5.53 2.96 1
66 LYS -1.15 -0.13 1
67 LYS -6.73 3.58 1
68 THR 0.03 -0.13 1
69 ILE 4.42 -0.77 1
70 ASP 2.65 -1.09 1
71 ARG 0.31 -1.22 1
72 LEU 3.07 -1.57 1
73 ASN 2.39 -0.87 1
74 PHE -0.78 0.19 1
75 ILE -2.28 1.28 1
76 SER 0.54 -0.31 1
77 LEU -1.76 0.86 1
79 ALA -6.19 4.69 1
80 LEU -3.47 2.64 1
81 VAL 3.76 -2.78 1
82 TRP -2.70 0.51 1
83 ARG -4.91 3.65 1
84 GLU 2.34 -0.41 1
85 ASP -0.12 -1.31 1
88 HIS -3.11 2.74 1
89 PHE -2.56 1.34 1
90 ILE -3.06 2.04 1
91 LEU -2.51 1.95 1
92 THR 2.78 -0.84 1
93 LYS -2.38 3.47 1
94 VAL -1.41 0.65 1
95 SER -1.04 -0.75 1
96 LYS 3.52 -0.84 1
97 GLU 2.86 -1.12 1
98 ALA -0.86 -0.19 1
99 ASN 1.77 -1.18 1
100 ARG -5.06 3.89 1
101 TYR -2.37 1.87 1
102 LEU -0.17 0.15 1
103 ILE -6.53 3.72 1
104 PHE 0.65 1.36 1
105 ASP -2.05 1.75 1
106 LEU 2.38 -0.69 1
107 GLU 1.60 0.17 1
108 GLN 0.58 -0.31 1
109 ARG 5.05 -3.87 1
110 ASN -4.39 4.17 1
112 ARG -4.15 4.07 1
113 VAL -0.32 -0.15 1
114 LEU -3.95 2.31 1
115 GLU -1.88 0.62 1
116 GLN 6.45 -1.01 1
117 SER 4.98 -1.89 1
118 GLU 0.79 0.92 1
119 PHE 4.56 -0.03 1
120 GLU 3.42 -0.24 1
121 ALA 1.90 -0.59 1
122 LEU -3.11 2.74 1
123 TYR 1.30 0.33 1
124 GLN -1.09 0.13 1
126 HIS -4.02 3.74 1
127 ILE -6.54 4.31 1
128 ILE -0.95 0.04 1
129 LEU -2.09 0.30 1
130 ILE -3.14 2.11 1
131 ALA -4.89 3.13 1
132 SER -1.66 0.92 1
133 ARG 1.56 -0.29 1
134 SER 0.72 -0.16 1
135 SER 0.78 -0.17 1
136 VAL 0.65 -0.34 1
137 ALA 0.18 0.11 1
139 LYS 0.03 0.02 1
140 LEU -0.07 -0.05 1
141 ALA -0.43 0.20 1
142 LYS 0.75 0.68 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17403_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -6.78
_LACS_plot.Line_1_terminator_val_y_1 0.70
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.20
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 0.18
_LACS_plot.Line_2_terminator_val_x_2 6.65
_LACS_plot.Line_2_terminator_val_y_2 -0.63
_LACS_plot.Y_axis_chem_shift_offset 0.00
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
54 ALA 2.85 -1.38 0
103 ILE -6.53 1.63 0
10 HIS -0.03 -0.03 1
11 LYS 0.09 -0.04 1
12 ILE -1.08 -0.27 1
13 ASP -1.91 0.06 1
14 TYR 5.18 -0.02 1
16 LEU 3.96 -0.19 1
17 TYR 1.35 0.37 1
18 ALA 2.70 -0.45 1
19 LEU 4.39 -0.28 1
20 GLU 3.87 -0.54 1
21 ILE 3.93 -0.46 1
22 LEU 3.49 -0.27 1
23 ALA 4.66 -0.35 1
24 GLN 4.66 -0.22 1
25 TYR 4.13 -0.56 1
26 HIS -0.03 -0.36 1
27 ASN 3.11 -0.41 1
28 VAL -2.37 0.26 1
29 SER 0.03 -0.03 1
30 VAL -3.27 0.13 1
31 ASN -2.03 0.25 1
33 GLU 3.56 -0.39 1
34 GLU 2.26 -0.25 1
35 ILE 4.27 -0.22 1
36 LYS 4.75 -0.45 1
37 HIS 3.13 -0.39 1
38 ARG 1.26 -0.45 1
39 PHE 0.13 0.17 1
40 ASP -0.92 0.49 1
41 THR 3.94 -0.37 1
42 ASP -0.66 0.14 1
44 THR 0.14 0.02 1
46 LEU 0.71 0.14 1
48 LEU 5.68 -1.21 1
49 THR 6.65 -0.60 1
50 SER 4.32 -0.26 1
51 TRP 5.03 -1.10 1
52 LEU 4.59 -0.43 1
53 LEU 3.02 -0.49 1
55 ALA 3.77 -0.90 1
56 LYS 4.22 -0.05 1
57 SER 4.40 -0.10 1
58 LEU -0.16 0.05 1
59 GLU 4.50 -0.53 1
60 LEU -1.17 0.12 1
61 LYS -0.25 0.16 1
62 VAL -6.78 1.46 1
63 LYS -3.46 0.14 1
64 GLN -1.26 0.69 1
65 VAL -5.53 0.58 1
66 LYS -1.15 0.71 1
67 LYS -6.73 0.62 1
68 THR 0.03 0.25 1
69 ILE 4.42 -0.58 1
70 ASP 2.65 -0.24 1
71 ARG 0.31 0.20 1
72 LEU 3.07 -0.32 1
73 ASN 2.39 -0.54 1
74 PHE -0.78 0.14 1
75 ILE -2.28 0.44 1
76 SER 0.54 -0.04 1
77 LEU -1.76 -0.29 1
79 ALA -6.19 0.68 1
80 LEU -3.47 0.27 1
81 VAL 3.76 -0.11 1
82 TRP -2.70 -0.21 1
83 ARG -4.91 0.48 1
84 GLU 2.34 -0.26 1
85 ASP -0.12 -0.18 1
87 ARG 2.29 -0.35 1
88 HIS -3.11 -0.25 1
89 PHE -2.56 0.42 1
90 ILE -3.06 0.62 1
91 LEU -2.51 0.64 1
92 THR 2.78 -0.03 1
93 LYS -2.38 -0.03 1
94 VAL -1.41 -0.19 1
95 SER -1.04 0.08 1
96 LYS 3.52 -0.40 1
97 GLU 2.86 -0.28 1
98 ALA -0.86 -0.11 1
99 ASN 1.77 -0.43 1
100 ARG -5.06 0.58 1
101 TYR -2.37 -0.14 1
102 LEU -0.17 0.67 1
104 PHE 0.65 -0.08 1
105 ASP -2.05 -0.14 1
106 LEU 2.38 -0.14 1
107 GLU 1.60 -0.29 1
108 GLN 0.58 -0.31 1
109 ARG 5.05 -0.57 1
110 ASN -4.39 -0.03 1
112 ARG -4.15 0.21 1
113 VAL -0.32 0.47 1
114 LEU -3.95 0.54 1
115 GLU -1.88 0.40 1
116 GLN 6.45 -0.37 1
117 SER 4.98 -0.22 1
118 GLU 0.79 -0.20 1
119 PHE 4.56 -0.81 1
120 GLU 3.42 -0.62 1
121 ALA 1.90 -0.11 1
122 LEU -3.11 -0.05 1
123 TYR 1.30 -0.60 1
124 GLN -1.09 0.27 1
126 HIS -4.02 0.61 1
127 ILE -6.54 0.96 1
128 ILE -0.95 0.62 1
129 LEU -2.09 0.59 1
130 ILE -3.14 0.71 1
131 ALA -4.89 0.18 1
132 SER -1.66 0.13 1
133 ARG 1.56 -0.01 1
134 SER 0.72 0.00 1
135 SER 0.78 0.01 1
136 VAL 0.65 0.02 1
137 ALA 0.18 -0.01 1
139 LYS 0.03 0.00 1
140 LEU -0.07 -0.02 1
141 ALA -0.43 0.00 1
142 LYS 0.75 -0.20 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr17403_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -6.78
_LACS_plot.Line_1_terminator_val_y_1 -2.40
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.47
_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 6.65
_LACS_plot.Line_2_terminator_val_y_2 2.19
_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
67 LYS -6.73 0.38 0
83 ARG -4.91 1.77 0
81 VAL 3.76 -3.26 0
10 HIS -0.03 0.13 1
11 LYS 0.09 -0.64 1
12 ILE -1.08 -2.03 1
13 ASP -1.91 0.91 1
14 TYR 5.18 2.63 1
16 LEU 3.96 0.54 1
17 TYR 1.35 1.59 1
18 ALA 2.70 1.67 1
19 LEU 4.39 -0.20 1
20 GLU 3.87 2.53 1
21 ILE 3.93 2.88 1
22 LEU 3.49 1.13 1
23 ALA 4.66 1.97 1
24 GLN 4.66 4.28 1
25 TYR 4.13 0.53 1
26 HIS -0.03 -0.75 1
27 ASN 3.11 -1.16 1
28 VAL -2.37 -1.07 1
29 SER 0.03 -1.15 1
30 VAL -3.27 -3.38 1
33 GLU 3.56 2.35 1
34 GLU 2.26 2.53 1
35 ILE 4.27 1.95 1
36 LYS 4.75 1.71 1
37 HIS 3.13 2.14 1
38 ARG 1.26 1.22 1
39 PHE 0.13 -0.76 1
40 ASP -0.92 0.81 1
41 THR 3.94 1.36 1
42 ASP -0.66 0.80 1
44 THR 0.14 0.71 1
46 LEU 0.71 0.28 1
48 LEU 5.68 0.41 1
49 THR 6.65 2.70 1
50 SER 4.32 -0.09 1
51 TRP 5.03 2.17 1
52 LEU 4.59 2.10 1
53 LEU 3.02 1.93 1
54 ALA 2.85 2.71 1
55 ALA 3.77 1.97 1
56 LYS 4.22 4.61 1
57 SER 4.40 0.08 1
58 LEU -0.16 -1.88 1
59 GLU 4.50 -0.69 1
60 LEU -1.17 -1.52 1
61 LYS -0.25 -0.66 1
62 VAL -6.78 -0.89 1
63 LYS -3.46 -2.80 1
64 GLN -1.26 -1.30 1
65 VAL -5.53 -2.20 1
66 LYS -1.15 0.11 1
68 THR 0.03 1.64 1
69 ILE 4.42 1.08 1
70 ASP 2.65 1.02 1
71 ARG 0.31 2.04 1
72 LEU 3.07 -1.24 1
73 ASN 2.39 -0.56 1
74 PHE -0.78 0.02 1
75 ILE -2.28 -0.94 1
76 SER 0.54 -2.03 1
79 ALA -6.19 -3.02 1
80 LEU -3.47 -3.67 1
82 TRP -2.70 0.71 1
84 GLU 2.34 0.38 1
85 ASP -0.12 0.54 1
87 ARG 2.29 -1.49 1
88 HIS -3.11 -0.08 1
89 PHE -2.56 -3.06 1
90 ILE -3.06 -1.16 1
91 LEU -2.51 -2.94 1
92 THR 2.78 -0.30 1
93 LYS -2.38 -3.25 1
94 VAL -1.41 -1.17 1
95 SER -1.04 0.58 1
96 LYS 3.52 1.74 1
97 GLU 2.86 -0.05 1
98 ALA -0.86 -1.97 1
99 ASN 1.77 -1.70 1
100 ARG -5.06 -2.17 1
101 TYR -2.37 -2.33 1
102 LEU -0.17 -1.79 1
103 ILE -6.53 -0.02 1
104 PHE 0.65 -1.95 1
105 ASP -2.05 -0.14 1
106 LEU 2.38 -1.41 1
107 GLU 1.60 2.06 1
108 GLN 0.58 -0.34 1
109 ARG 5.05 -1.46 1
112 ARG -4.15 -2.94 1
113 VAL -0.32 -0.83 1
114 LEU -3.95 -0.26 1
115 GLU -1.88 1.31 1
116 GLN 6.45 1.89 1
117 SER 4.98 2.56 1
118 GLU 0.79 1.89 1
119 PHE 4.56 1.36 1
120 GLU 3.42 1.00 1
121 ALA 1.90 1.04 1
122 LEU -3.11 -0.27 1
123 TYR 1.30 -0.28 1
126 HIS -4.02 0.10 1
127 ILE -6.54 -4.12 1
128 ILE -0.95 -1.23 1
129 LEU -2.09 -0.56 1
130 ILE -3.14 -1.98 1
131 ALA -4.89 -2.51 1
132 SER -1.66 0.28 1
133 ARG 1.56 0.71 1
134 SER 0.72 0.39 1
135 SER 0.78 0.43 1
136 VAL 0.65 -0.17 1
137 ALA 0.18 0.47 1
139 LYS 0.03 -0.08 1
140 LEU -0.07 -0.85 1
141 ALA -0.43 -1.40 1
stop_
save_