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 bmr6177_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CA
_LACS_plot.Line_1_terminator_val_x_1 -8.79
_LACS_plot.Line_1_terminator_val_y_1 -2.78
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 1.17
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.76
_LACS_plot.Line_2_terminator_val_x_2 6.00
_LACS_plot.Line_2_terminator_val_y_2 4.99
_LACS_plot.Y_axis_chem_shift_offset -0.56
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
64 HIS 5.82 7.90 0
36 ALA -0.10 1.00 1
41 ALA 0.35 0.47 1
43 GLN -0.56 0.08 1
44 SER -4.50 -1.60 1
46 VAL -1.27 -1.73 1
47 LEU -5.36 -1.92 1
48 ARG -1.32 -0.03 1
49 ILE -4.03 -0.58 1
50 ILE -3.23 -0.26 1
51 VAL -0.77 -1.10 1
52 GLU -4.04 -0.95 1
53 ASN 2.88 0.80 1
54 LEU 1.01 0.30 1
55 PHE -0.15 -0.37 1
56 TYR -2.71 -0.23 1
58 VAL -0.05 0.60 1
59 THR -4.28 -1.76 1
60 LEU 4.61 5.02 1
61 ASP 3.57 3.76 1
62 VAL 4.55 4.40 1
63 LEU 2.85 3.02 1
65 GLN 5.06 4.74 1
66 ILE 2.86 3.70 1
67 PHE 6.00 4.70 1
68 SER 4.40 3.50 1
69 LYS 2.71 2.00 1
70 PHE -0.94 0.60 1
72 THR 1.41 1.60 1
73 VAL 1.68 1.25 1
74 LEU -0.19 1.70 1
75 LYS -8.79 -1.30 1
76 ILE -5.18 -0.16 1
77 ILE -4.10 0.92 1
78 THR -4.30 -2.20 1
79 PHE -1.36 -1.00 1
80 THR -1.50 -0.80 1
81 LYS -2.84 0.15 1
82 ASN 3.04 1.80 1
83 ASN 2.16 1.80 1
84 GLN -3.60 -0.45 1
85 PHE 0.70 1.88 1
86 GLN -6.37 -2.20 1
87 ALA -7.32 -2.70 1
88 LEU -5.30 -1.60 1
89 LEU -5.64 -0.60 1
90 GLN -4.19 -1.20 1
91 TYR -2.87 1.20 1
92 ALA 1.80 1.90 1
93 ASP -5.54 -1.60 1
95 VAL 5.28 3.90 1
96 SER 5.50 4.10 1
97 ALA 3.80 2.90 1
98 GLN 4.46 3.90 1
99 HIS 1.54 3.20 1
100 ALA 2.10 2.70 1
101 LYS 4.24 4.40 1
102 LEU 2.21 2.60 1
103 SER 2.30 3.20 1
104 LEU -2.19 -0.30 1
105 ASP 2.46 3.60 1
107 GLN -0.76 -0.37 1
108 ASN -1.40 -0.50 1
109 ILE 2.28 3.20 1
110 TYR -4.91 -2.02 1
111 ASN 3.38 3.25 1
112 ALA 0.95 0.60 1
115 THR 0.50 1.20 1
116 LEU -0.52 0.78 1
117 ARG -1.99 -2.00 1
118 ILE -4.42 -0.50 1
119 ASP -5.77 -1.55 1
120 PHE 0.59 1.50 1
121 SER -1.51 -0.61 1
122 LYS 2.14 1.83 1
123 LEU 0.01 0.40 1
124 THR 0.17 0.20 1
125 SER -2.30 -1.00 1
126 LEU -3.72 -1.59 1
127 ASN -2.10 -1.00 1
128 VAL -0.96 0.30 1
129 LYS -0.40 1.10 1
130 TYR -7.29 -2.90 1
131 ASN -2.61 -1.87 1
132 ASN 0.51 -0.40 1
133 ASP 2.59 2.31 1
134 LYS -1.19 0.62 1
135 SER -4.90 -1.50 1
136 ARG -4.28 -0.50 1
137 ASP -2.82 -1.60 1
138 TYR 4.99 4.10 1
139 THR 0.51 0.86 1
140 ARG -2.67 -0.80 1
142 ASP 0.07 -0.13 1
143 LEU 2.28 1.40 1
145 SER -0.40 0.90 1
147 ASP -0.40 2.00 1
stop_
save_
save_LACS_CACB_CB_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6177_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CB
_LACS_plot.Line_1_terminator_val_x_1 -8.79
_LACS_plot.Line_1_terminator_val_y_1 6.01
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 -0.83
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 1.24
_LACS_plot.Line_2_terminator_val_x_2 6.00
_LACS_plot.Line_2_terminator_val_y_2 -1.01
_LACS_plot.Y_axis_chem_shift_offset -0.56
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
64 HIS 5.82 2.08 0
36 ALA -0.10 1.10 1
41 ALA 0.35 0.12 1
43 GLN -0.56 0.64 1
44 SER -4.50 2.90 1
46 VAL -1.27 -0.46 1
47 LEU -5.36 3.44 1
48 ARG -1.32 1.29 1
49 ILE -4.03 3.45 1
50 ILE -3.23 2.97 1
51 VAL -0.77 -0.33 1
52 GLU -4.04 3.09 1
53 ASN 2.88 -2.08 1
54 LEU 1.01 -0.71 1
55 PHE -0.15 -0.22 1
56 TYR -2.71 2.48 1
58 VAL -0.05 0.65 1
59 THR -4.28 2.52 1
60 LEU 4.61 0.41 1
61 ASP 3.57 0.19 1
62 VAL 4.55 -0.15 1
63 LEU 2.85 0.17 1
65 GLN 5.06 -0.32 1
66 ILE 2.86 0.84 1
67 PHE 6.00 -1.30 1
68 SER 4.40 -0.90 1
69 LYS 2.71 -0.71 1
70 PHE -0.94 1.54 1
72 THR 1.41 0.19 1
73 VAL 1.68 -0.43 1
74 LEU -0.19 1.89 1
75 LYS -8.79 7.49 1
76 ILE -5.18 5.02 1
77 ILE -4.10 5.02 1
78 THR -4.30 2.10 1
79 PHE -1.36 0.36 1
80 THR -1.50 0.70 1
81 LYS -2.84 2.99 1
82 ASN 3.04 -1.24 1
83 ASN 2.16 -0.36 1
84 GLN -3.60 3.15 1
85 PHE 0.70 1.18 1
86 GLN -6.37 4.17 1
87 ALA -7.32 4.62 1
88 LEU -5.30 3.70 1
89 LEU -5.64 5.04 1
90 GLN -4.19 2.99 1
91 TYR -2.87 4.07 1
92 ALA 1.80 0.10 1
93 ASP -5.54 3.94 1
95 VAL 5.28 -1.38 1
96 SER 5.50 -1.40 1
97 ALA 3.80 -0.90 1
98 GLN 4.46 -0.56 1
99 HIS 1.54 1.66 1
100 ALA 2.10 0.60 1
101 LYS 4.24 0.16 1
102 LEU 2.21 0.39 1
103 SER 2.30 0.90 1
104 LEU -2.19 1.89 1
105 ASP 2.46 1.14 1
107 GLN -0.76 0.39 1
108 ASN -1.40 0.90 1
109 ILE 2.28 0.92 1
110 TYR -4.91 2.89 1
111 ASN 3.38 -0.13 1
112 ALA 0.95 -0.35 1
115 THR 0.50 0.70 1
116 LEU -0.52 1.30 1
117 ARG -1.99 -0.01 1
118 ILE -4.42 3.92 1
119 ASP -5.77 4.22 1
120 PHE 0.59 0.91 1
121 SER -1.51 0.90 1
122 LYS 2.14 -0.31 1
123 LEU 0.01 0.39 1
124 THR 0.17 0.03 1
125 SER -2.30 1.30 1
126 LEU -3.72 2.13 1
127 ASN -2.10 1.10 1
128 VAL -0.96 1.26 1
129 LYS -0.40 1.50 1
130 TYR -7.29 4.39 1
131 ASN -2.61 0.74 1
132 ASN 0.51 -0.91 1
133 ASP 2.59 -0.28 1
134 LYS -1.19 1.81 1
135 SER -4.90 3.40 1
136 ARG -4.28 3.78 1
137 ASP -2.82 1.22 1
138 TYR 4.99 -0.89 1
139 THR 0.51 0.35 1
140 ARG -2.67 1.87 1
142 ASP 0.07 -0.20 1
143 LEU 2.28 -0.88 1
145 SER -0.40 1.30 1
147 ASP -0.40 2.40 1
stop_
save_
save_LACS_CACB_HA_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6177_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name HA
_LACS_plot.Line_1_terminator_val_x_1 -8.79
_LACS_plot.Line_1_terminator_val_y_1 1.01
_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 0.26
_LACS_plot.Line_2_terminator_val_x_2 6.00
_LACS_plot.Line_2_terminator_val_y_2 -0.61
_LACS_plot.Y_axis_chem_shift_offset -0.04
loop_
_LACS.Comp_index_ID
_LACS.Comp_ID
_LACS.X_coord_val
_LACS.Y_coord_val
_LACS.Designator
100 ALA 2.10 -1.84 0
41 ALA 0.35 -0.24 1
43 GLN -0.56 -0.60 1
44 SER -4.50 0.12 1
46 VAL -1.27 0.99 1
47 LEU -5.36 0.58 1
48 ARG -1.32 0.68 1
49 ILE -4.03 0.61 1
50 ILE -3.23 0.56 1
51 VAL -0.77 0.80 1
52 GLU -4.04 0.22 1
53 ASN 2.88 -0.71 1
54 LEU 1.01 0.19 1
55 PHE -0.15 0.04 1
56 TYR -2.71 -0.20 1
58 VAL -0.05 -0.07 1
59 THR -4.28 0.34 1
60 LEU 4.61 -0.43 1
61 ASP 3.57 -0.20 1
62 VAL 4.55 -0.30 1
63 LEU 2.85 -0.18 1
64 HIS 5.82 -1.02 1
65 GLN 5.06 -0.42 1
66 ILE 2.86 -0.43 1
67 PHE 6.00 -0.39 1
68 SER 4.40 0.45 1
69 LYS 2.71 -0.40 1
70 PHE -0.94 -0.16 1
72 THR 1.41 -0.03 1
73 VAL 1.68 -0.52 1
74 LEU -0.19 0.21 1
75 LYS -8.79 1.31 1
76 ILE -5.18 0.83 1
77 ILE -4.10 0.46 1
78 THR -4.30 0.90 1
79 PHE -1.36 0.19 1
80 THR -1.50 0.84 1
81 LYS -2.84 0.27 1
82 ASN 3.04 -0.36 1
83 ASN 2.16 -0.49 1
84 GLN -3.60 0.50 1
85 PHE 0.70 0.03 1
86 GLN -6.37 0.83 1
87 ALA -7.32 0.81 1
88 LEU -5.30 1.11 1
89 LEU -5.64 0.56 1
90 GLN -4.19 0.71 1
91 TYR -2.87 0.72 1
92 ALA 1.80 0.03 1
93 ASP -5.54 0.35 1
95 VAL 5.28 -0.44 1
96 SER 5.50 -0.47 1
97 ALA 3.80 -0.35 1
98 GLN 4.46 -0.11 1
99 HIS 1.54 -0.33 1
101 LYS 4.24 -0.73 1
102 LEU 2.21 -0.23 1
103 SER 2.30 -0.14 1
104 LEU -2.19 -0.06 1
105 ASP 2.46 -0.42 1
107 GLN -0.76 0.01 1
108 ASN -1.40 0.33 1
109 ILE 2.28 -0.46 1
110 TYR -4.91 0.28 1
111 ASN 3.38 -0.39 1
112 ALA 0.95 -0.18 1
115 THR 0.50 0.19 1
116 LEU -0.52 0.26 1
117 ARG -1.99 0.70 1
118 ILE -4.42 0.75 1
119 ASP -5.77 0.00 1
120 PHE 0.59 0.14 1
121 SER -1.51 0.07 1
122 LYS 2.14 -0.06 1
123 LEU 0.01 -0.02 1
124 THR 0.17 0.08 1
125 SER -2.30 -0.36 1
126 LEU -3.72 0.34 1
127 ASN -2.10 0.13 1
128 VAL -0.96 -0.16 1
129 LYS -0.40 -0.27 1
130 TYR -7.29 0.59 1
131 ASN -2.61 0.75 1
132 ASN 0.51 0.05 1
133 ASP 2.59 -0.09 1
134 LYS -1.19 0.21 1
135 SER -4.90 0.81 1
136 ARG -4.28 0.51 1
137 ASP -2.82 0.35 1
138 TYR 4.99 -0.60 1
139 THR 0.51 0.26 1
140 ARG -2.67 0.28 1
142 ASP 0.07 -0.04 1
143 LEU 2.28 -0.25 1
145 SER -0.40 0.34 1
stop_
save_
save_LACS_CACB_CO_output
_LACS_plot.Sf_category LACS_output
_LACS.plot.Input_file_name bmr6177_21.str
_LACS_plot.X_coord_name CA-CB
_LACS_plot.Y_coord_name CO
_LACS_plot.Line_1_terminator_val_x_1 -8.79
_LACS_plot.Line_1_terminator_val_y_1 -3.00
_LACS_plot.Line_1_terminator_val_x_2 2.00
_LACS_plot.Line_1_terminator_val_y_2 0.34
_LACS_plot.Line_2_terminator_val_x_1 -2.00
_LACS_plot.Line_2_terminator_val_y_1 -0.94
_LACS_plot.Line_2_terminator_val_x_2 6.00
_LACS_plot.Line_2_terminator_val_y_2 1.68
_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
147 ASP -0.40 4.70 0
36 ALA -0.10 0.60 1
41 ALA 0.35 0.28 1
43 GLN -0.56 -1.08 1
44 SER -4.50 0.44 1
46 VAL -1.27 -1.01 1
47 LEU -5.36 -2.29 1
48 ARG -1.32 -1.52 1
49 ILE -4.03 -2.02 1
50 ILE -3.23 -1.00 1
51 VAL -0.77 -1.13 1
52 GLU -4.04 0.26 1
53 ASN 2.88 0.64 1
54 LEU 1.01 -1.32 1
55 PHE -0.15 -1.34 1
56 TYR -2.71 -2.67 1
58 VAL -0.05 -2.25 1
59 THR -4.28 0.53 1
60 LEU 4.61 0.70 1
61 ASP 3.57 2.57 1
62 VAL 4.55 1.70 1
63 LEU 2.85 1.29 1
64 HIS 5.82 4.60 1
65 GLN 5.06 2.61 1
66 ILE 2.86 2.24 1
67 PHE 6.00 5.01 1
68 SER 4.40 -0.65 1
69 LYS 2.71 0.24 1
70 PHE -0.94 -1.05 1
72 THR 1.41 -0.92 1
73 VAL 1.68 -1.36 1
74 LEU -0.19 -0.62 1
75 LYS -8.79 -1.83 1
76 ILE -5.18 0.02 1
77 ILE -4.10 -1.65 1
78 THR -4.30 -1.88 1
79 PHE -1.36 -2.78 1
80 THR -1.50 -0.27 1
81 LYS -2.84 -0.47 1
82 ASN 3.04 -0.54 1
83 ASN 2.16 -1.32 1
84 GLN -3.60 -1.56 1
85 PHE 0.70 -2.27 1
86 GLN -6.37 -3.42 1
87 ALA -7.32 -2.01 1
88 LEU -5.30 -2.79 1
89 LEU -5.64 -4.38 1
90 GLN -4.19 -0.71 1
91 TYR -2.87 0.40 1
92 ALA 1.80 -1.35 1
95 VAL 5.28 2.11 1
96 SER 5.50 -0.02 1
97 ALA 3.80 0.68 1
98 GLN 4.46 2.07 1
99 HIS 1.54 3.69 1
100 ALA 2.10 0.92 1
101 LYS 4.24 1.39 1
102 LEU 2.21 2.26 1
103 SER 2.30 1.10 1
104 LEU -2.19 -0.56 1
105 ASP 2.46 1.73 1
107 GLN -0.76 -1.14 1
108 ASN -1.40 1.97 1
109 ILE 2.28 -0.70 1
110 TYR -4.91 -0.89 1
111 ASN 3.38 0.31 1
112 ALA 0.95 -1.79 1
115 THR 0.50 -0.10 1
116 LEU -0.52 -0.98 1
117 ARG -1.99 0.14 1
118 ILE -4.42 -3.00 1
119 ASP -5.77 -1.52 1
120 PHE 0.59 0.61 1
121 SER -1.51 0.50 1
122 LYS 2.14 1.70 1
123 LEU 0.01 -0.60 1
124 THR 0.17 -0.77 1
125 SER -2.30 -2.37 1
128 VAL -0.96 -1.60 1
129 LYS -0.40 -2.13 1
130 TYR -7.29 -1.94 1
131 ASN -2.61 -0.63 1
132 ASN 0.51 -0.88 1
133 ASP 2.59 0.06 1
134 LYS -1.19 -0.47 1
135 SER -4.90 -3.44 1
136 ARG -4.28 -2.69 1
137 ASP -2.82 1.61 1
138 TYR 4.99 0.79 1
139 THR 0.51 -0.26 1
140 ARG -2.67 -1.55 1
142 ASP 0.07 -0.06 1
143 LEU 2.28 -0.62 1
145 SER -0.40 1.17 1
stop_
save_