Content for NMR-STAR saveframe, "peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15_16_17_18"
save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15_16_17_18
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15_16_17_18
_Spectral_peak_list.Entry_ID 25839
_Spectral_peak_list.ID 18
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $CN1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $298K
_Spectral_peak_list.Experiment_ID 21
_Spectral_peak_list.Experiment_name '2D 1H-13C HSQC/HMQC'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details 'Default list'
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 1H . . 4375.000 Hz . . . . . . 25839 18
2 . . C 13 13C . . 6036.837 Hz . . . . . . 25839 18
stop_
loop_
_Peak.ID
_Peak.Figure_of_merit
_Peak.Restraint
_Peak.Details
_Peak.Entry_ID
_Peak.Spectral_peak_list_ID
1 1.0 . . 25839 18
2 1.0 . . 25839 18
3 1.0 . . 25839 18
4 1.0 . . 25839 18
5 1.0 . . 25839 18
6 1.0 . . 25839 18
7 1.0 . . 25839 18
8 1.0 . . 25839 18
9 1.0 . . 25839 18
10 1.0 . . 25839 18
11 1.0 . . 25839 18
12 1.0 . . 25839 18
13 1.0 . . 25839 18
14 1.0 . . 25839 18
15 1.0 . . 25839 18
16 1.0 . . 25839 18
17 1.0 . . 25839 18
18 1.0 . . 25839 18
19 1.0 . . 25839 18
20 1.0 . . 25839 18
21 1.0 . . 25839 18
22 1.0 . . 25839 18
23 1.0 . . 25839 18
24 1.0 . . 25839 18
25 1.0 . . 25839 18
26 1.0 . . 25839 18
27 1.0 . . 25839 18
28 1.0 . . 25839 18
29 1.0 . . 25839 18
30 1.0 . . 25839 18
31 1.0 . . 25839 18
32 1.0 . . 25839 18
33 1.0 . . 25839 18
34 1.0 . . 25839 18
35 1.0 . . 25839 18
36 1.0 . . 25839 18
37 1.0 . . 25839 18
38 1.0 . . 25839 18
39 1.0 . . 25839 18
40 1.0 . . 25839 18
41 1.0 . . 25839 18
42 1.0 . . 25839 18
43 1.0 . . 25839 18
44 1.0 . . 25839 18
45 1.0 . . 25839 18
46 1.0 . . 25839 18
47 1.0 . . 25839 18
stop_
loop_
_Peak_general_char.Peak_ID
_Peak_general_char.Intensity_val
_Peak_general_char.Intensity_val_err
_Peak_general_char.Measurement_method
_Peak_general_char.Entry_ID
_Peak_general_char.Spectral_peak_list_ID
1 227732.2343750 . height 25839 18
1 2116526.4375000 . volume 25839 18
2 137435.4531250 . height 25839 18
2 1308283.7031200 . volume 25839 18
3 237883.2500000 . height 25839 18
3 1957748.5625000 . volume 25839 18
4 72442.0390625 . height 25839 18
4 589402.9921880 . volume 25839 18
5 62514.5625000 . height 25839 18
5 573276.9218750 . volume 25839 18
6 96319.8046875 . height 25839 18
6 769314.9062500 . volume 25839 18
7 602296.5625000 . height 25839 18
7 4680202.8125000 . volume 25839 18
8 3426338.5000000 . height 25839 18
8 26158826.7500000 . volume 25839 18
9 7463542.0000000 . height 25839 18
9 57678581.0000000 . volume 25839 18
10 2408147.2500000 . height 25839 18
10 18370482.0000000 . volume 25839 18
11 2337191.2500000 . height 25839 18
11 17672373.6250000 . volume 25839 18
12 502852.2500000 . height 25839 18
12 3847880.4687500 . volume 25839 18
13 137936.2187500 . height 25839 18
13 1080612.2421900 . volume 25839 18
14 114298.6250000 . height 25839 18
14 937791.2812500 . volume 25839 18
15 438596.2812500 . height 25839 18
15 3734490.6250000 . volume 25839 18
16 409697.0312500 . height 25839 18
16 3529714.9687500 . volume 25839 18
17 422177.7812500 . height 25839 18
17 3526074.5937500 . volume 25839 18
18 275471.5000000 . height 25839 18
18 2355272.4375000 . volume 25839 18
19 112610.5937500 . height 25839 18
19 954181.3906250 . volume 25839 18
20 324209.3125000 . height 25839 18
20 2436794.6093800 . volume 25839 18
21 385504.6562500 . height 25839 18
21 3245743.9687500 . volume 25839 18
22 162008.0781250 . height 25839 18
22 1345835.8906200 . volume 25839 18
23 1174922.3750000 . height 25839 18
23 9897039.1250000 . volume 25839 18
24 599923.8750000 . height 25839 18
24 4886102.1562500 . volume 25839 18
25 205310.6718750 . height 25839 18
25 1717230.8750000 . volume 25839 18
26 195706.1250000 . height 25839 18
26 1685246.8593800 . volume 25839 18
27 411188.6250000 . height 25839 18
27 3223852.2500000 . volume 25839 18
28 285895.0000000 . height 25839 18
28 2134999.8281200 . volume 25839 18
29 509959.6250000 . height 25839 18
29 4346383.5312500 . volume 25839 18
30 1164630.8750000 . height 25839 18
30 10274510.3750000 . volume 25839 18
31 403404.9062500 . height 25839 18
31 3458027.5625000 . volume 25839 18
32 944668.1875000 . height 25839 18
32 9664245.7500000 . volume 25839 18
33 411482.7812500 . height 25839 18
33 3111326.3125000 . volume 25839 18
34 162770.5156250 . height 25839 18
34 1399178.0781200 . volume 25839 18
35 508214.5937500 . height 25839 18
35 4299897.7500000 . volume 25839 18
36 603055.0625000 . height 25839 18
36 5401628.5937500 . volume 25839 18
37 199617.9062500 . height 25839 18
37 1713776.3437500 . volume 25839 18
38 197387.9687500 . height 25839 18
38 1752461.4062500 . volume 25839 18
39 493366.0625000 . height 25839 18
39 4202245.5937500 . volume 25839 18
40 186687.1093750 . height 25839 18
40 1533659.7031200 . volume 25839 18
41 139220.3125000 . height 25839 18
41 1188537.0781200 . volume 25839 18
42 169090.1250000 . height 25839 18
42 1382102.7031200 . volume 25839 18
43 138098.5937500 . height 25839 18
43 1170435.3281200 . volume 25839 18
44 275471.5000000 . height 25839 18
44 2355272.4375000 . volume 25839 18
45 708919.0625000 . height 25839 18
45 6782664.5312500 . volume 25839 18
46 180388.6875000 . height 25839 18
46 1547831.1406200 . volume 25839 18
47 130356.1640620 . height 25839 18
47 1130516.6093800 . volume 25839 18
stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Chem_shift_val_err
_Peak_char.Line_width_val
_Peak_char.Line_width_val_err
_Peak_char.Phase_val
_Peak_char.Phase_val_err
_Peak_char.Decay_rate_val
_Peak_char.Decay_rate_val_err
_Peak_char.Coupling_pattern
_Peak_char.Bounding_box_upper_val
_Peak_char.Bounding_box_lower_val
_Peak_char.Bounding_box_range_val
_Peak_char.Details
_Peak_char.Derivation_method_ID
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
1 1 6.917 . 32.8987836838 . . . . . . . . . . 1 25839 18
1 2 127.525 . 225.2468279430 . . . . . . . . . . 1 25839 18
2 1 7.290 . 24.0871310234 . . . . . . . . . . 1 25839 18
2 2 127.897 . 217.2164664250 . . . . . . . . . . 1 25839 18
3 1 7.153 . 35.3270769119 . . . . . . . . . . 1 25839 18
3 2 114.796 . 230.1013870300 . . . . . . . . . . 1 25839 18
4 1 6.690 . 40.0796532631 . . . . . . . . . . 1 25839 18
4 2 123.466 . 205.0263650470 . . . . . . . . . . 1 25839 18
5 1 7.001 . 63.2226467133 . . . . . . . . . . 1 25839 18
5 2 122.142 . 766.6889382620 . . . . . . . . . . 1 25839 18
6 1 7.209 . 29.6711921692 . . . . . . . . . . 1 25839 18
6 2 120.292 . 213.3113017090 . . . . . . . . . . 1 25839 18
7 1 7.616 . 33.5314869881 . . . . . . . . . . 1 25839 18
7 2 139.074 . 95.0306523221 . . . . . . . . . . 1 25839 18
8 1 7.806 . 26.6149640083 . . . . . . . . . . 1 25839 18
8 2 138.943 . 207.5218761260 . . . . . . . . . . 1 25839 18
9 1 7.834 . 29.1252136230 . . . . . . . . . . 1 25839 18
9 2 138.173 . 97.9308749112 . . . . . . . . . . 1 25839 18
10 1 7.920 . 31.6727161407 . . . . . . . . . . 1 25839 18
10 2 137.980 . 89.8261198793 . . . . . . . . . . 1 25839 18
11 1 8.042 . 28.0663371086 . . . . . . . . . . 1 25839 18
11 2 137.291 . 89.9804391936 . . . . . . . . . . 1 25839 18
12 1 8.102 . 73.0627775192 . . . . . . . . . . 1 25839 18
12 2 137.152 . 85.1140958862 . . . . . . . . . . 1 25839 18
13 1 7.506 . 31.4980745316 . . . . . . . . . . 1 25839 18
13 2 114.710 . 194.9336749960 . . . . . . . . . . 1 25839 18
14 1 7.245 . 39.8615002632 . . . . . . . . . . 1 25839 18
14 2 124.816 . 208.0404268040 . . . . . . . . . . 1 25839 18
15 1 6.520 . 49.6533513069 . . . . . . . . . . 1 25839 18
15 2 117.534 . 235.2810466720 . . . . . . . . . . 1 25839 18
16 1 6.549 . 53.1387329102 . . . . . . . . . . 1 25839 18
16 2 117.534 . 232.5848890000 . . . . . . . . . . 1 25839 18
17 1 6.890 . 37.2701883316 . . . . . . . . . . 1 25839 18
17 2 135.422 . 222.5245830650 . . . . . . . . . . 1 25839 18
18 1 6.663 . 50.3221154213 . . . . . . . . . . 1 25839 18
18 2 127.692 . 197.5686626690 . . . . . . . . . . 1 25839 18
20 1 6.614 . 28.3432006836 . . . . . . . . . . 1 25839 18
20 2 130.330 . 95.9512608107 . . . . . . . . . . 1 25839 18
21 1 6.731 . 46.3354587555 . . . . . . . . . . 1 25839 18
21 2 131.816 . 216.2631139960 . . . . . . . . . . 1 25839 18
23 1 7.156 . 41.6934490204 . . . . . . . . . . 1 25839 18
23 2 133.365 . 248.2692366290 . . . . . . . . . . 1 25839 18
24 1 7.131 . 40.2370095253 . . . . . . . . . . 1 25839 18
24 2 131.722 . 132.3148463310 . . . . . . . . . . 1 25839 18
29 1 6.647 . 40.2951240540 . . . . . . . . . . 1 25839 18
29 2 117.764 . 334.6254433230 . . . . . . . . . . 1 25839 18
30 1 6.855 . 37.9818677902 . . . . . . . . . . 1 25839 18
30 2 118.620 . 361.0181390550 . . . . . . . . . . 1 25839 18
31 1 6.649 . 38.8771295547 . . . . . . . . . . 1 25839 18
31 2 118.683 . 404.6406244550 . . . . . . . . . . 1 25839 18
32 1 6.847 . 139.3431425090 . . . . . . . . . . 1 25839 18
32 2 119.562 . 386.9606955570 . . . . . . . . . . 1 25839 18
33 1 6.913 . 28.6114215851 . . . . . . . . . . 1 25839 18
33 2 130.267 . 105.3496713710 . . . . . . . . . . 1 25839 18
35 1 7.148 . 41.8165326118 . . . . . . . . . . 1 25839 18
35 2 131.405 . 156.5597554420 . . . . . . . . . . 1 25839 18
36 1 7.116 . 87.3476266861 . . . . . . . . . . 1 25839 18
36 2 133.137 . 282.7421294370 . . . . . . . . . . 1 25839 18
37 1 7.016 . 47.7209687233 . . . . . . . . . . 1 25839 18
37 2 130.969 . 245.8674146000 . . . . . . . . . . 1 25839 18
38 1 7.207 . 155.2918553350 . . . . . . . . . . 1 25839 18
38 2 131.270 . 590.9747870720 . . . . . . . . . . 1 25839 18
39 1 7.221 . 102.0318269730 . . . . . . . . . . 1 25839 18
39 2 132.531 . 256.4165407920 . . . . . . . . . . 1 25839 18
44 1 6.663 . 50.3221154213 . . . . . . . . . . 1 25839 18
44 2 127.900 . 197.5686626690 . . . . . . . . . . 1 25839 18
45 1 6.933 . 130.1282644270 . . . . . . . . . . 1 25839 18
45 2 120.371 . 249.6862216700 . . . . . . . . . . 1 25839 18
46 1 6.756 . 255.2613615990 . . . . . . . . . . 1 25839 18
46 2 117.860 . 278.3091036090 . . . . . . . . . . 1 25839 18
47 1 7.067 . 120.0133562090 . . . . . . . . . . 1 25839 18
47 2 134.029 . 902.4092443890 . . . . . . . . . . 1 25839 18
stop_
loop_
_Assigned_peak_chem_shift.Peak_ID
_Assigned_peak_chem_shift.Spectral_dim_ID
_Assigned_peak_chem_shift.Set_ID
_Assigned_peak_chem_shift.Magnetization_linkage_ID
_Assigned_peak_chem_shift.Assembly_atom_ID
_Assigned_peak_chem_shift.Val
_Assigned_peak_chem_shift.Contribution_fractional_val
_Assigned_peak_chem_shift.Figure_of_merit
_Assigned_peak_chem_shift.Assigned_chem_shift_list_ID
_Assigned_peak_chem_shift.Atom_chem_shift_ID
_Assigned_peak_chem_shift.Entity_assembly_ID
_Assigned_peak_chem_shift.Entity_ID
_Assigned_peak_chem_shift.Comp_index_ID
_Assigned_peak_chem_shift.Comp_ID
_Assigned_peak_chem_shift.Atom_ID
_Assigned_peak_chem_shift.Ambiguity_code
_Assigned_peak_chem_shift.Ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_atom_peak_num
_Assigned_peak_chem_shift.Auth_entity_ID
_Assigned_peak_chem_shift.Auth_seq_ID
_Assigned_peak_chem_shift.Auth_comp_ID
_Assigned_peak_chem_shift.Auth_atom_ID
_Assigned_peak_chem_shift.Auth_ambiguity_code
_Assigned_peak_chem_shift.Auth_ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_amb_atom_grp_ID
_Assigned_peak_chem_shift.Resonance_ID
_Assigned_peak_chem_shift.Details
_Assigned_peak_chem_shift.Entry_ID
_Assigned_peak_chem_shift.Spectral_peak_list_ID
1 1 1 . . 6.917 . . 1 . 1 1 15 TRP HD1 . . . . . . . . . . 1566 . 25839 18
1 2 2 . . 127.525 . . 1 . 1 1 15 TRP CD1 . . . . . . . . . . 1567 . 25839 18
2 1 1 . . 7.290 . . 1 . . . . . . . . . . . . . . . . 1808 . 25839 18
2 2 1 . . 127.897 . . 1 . . . . . . . . . . . . . . . . 1809 . 25839 18
3 1 1 . . 7.153 . . 1 . 1 1 15 TRP HZ2 . . . . . . . . . . 1568 . 25839 18
3 2 1 . . 114.796 . . 1 . 1 1 15 TRP CZ2 . . . . . . . . . . 1569 . 25839 18
4 1 1 . . 6.690 . . 1 . 1 1 15 TRP HH2 . . . . . . . . . . 1570 . 25839 18
4 2 1 . . 123.466 . . 1 . 1 1 15 TRP CH2 . . . . . . . . . . 1571 . 25839 18
5 1 1 . . 7.001 . . 1 . 1 1 15 TRP HZ3 . . . . . . . . . . 1572 . 25839 18
5 2 1 . . 122.142 . . 1 . 1 1 15 TRP CZ3 . . . . . . . . . . 1573 . 25839 18
6 1 1 . . 7.209 . . 1 . 1 1 15 TRP HE3 . . . . . . . . . . 1574 . 25839 18
6 2 1 . . 120.292 . . 1 . 1 1 15 TRP CE3 . . . . . . . . . . 1575 . 25839 18
7 1 1 . . 7.616 . . 1 . 1 1 34 HIS HE1 . . . . . . . . . . 1790 . 25839 18
7 2 1 . . 139.074 . . 1 . 1 1 34 HIS CE1 . . . . . . . . . . 1791 . 25839 18
8 1 1 . . 7.806 . . 1 . . . . . . . . . . . . . . . . 1792 . 25839 18
8 2 1 . . 138.943 . . 1 . . . . . . . . . . . . . . . . 1793 . 25839 18
9 1 1 . . 7.834 . . 1 . . . . . . . . . . . . . . . . 1794 . 25839 18
9 2 1 . . 138.173 . . 1 . . . . . . . . . . . . . . . . 1795 . 25839 18
10 1 1 . . 7.920 . . 1 . . . . . . . . . . . . . . . . 1796 . 25839 18
10 2 1 . . 137.980 . . 1 . . . . . . . . . . . . . . . . 1797 . 25839 18
11 1 1 . . 8.042 . . 1 . . . . . . . . . . . . . . . . 1798 . 25839 18
11 2 1 . . 137.291 . . 1 . . . . . . . . . . . . . . . . 1799 . 25839 18
12 1 1 . . 8.102 . . 1 . . . . . . . . . . . . . . . . 1800 . 25839 18
12 2 1 . . 137.152 . . 1 . . . . . . . . . . . . . . . . 1801 . 25839 18
13 1 1 . . 7.506 . . 1 . . . . . . . . . . . . . . . . 1802 . 25839 18
13 2 1 . . 114.710 . . 1 . . . . . . . . . . . . . . . . 1803 . 25839 18
14 1 1 . . 7.245 . . 1 . . . . . . . . . . . . . . . . 1804 . 25839 18
14 2 1 . . 124.816 . . 1 . . . . . . . . . . . . . . . . 1805 . 25839 18
15 1 1 . . 6.520 . . 1 . 1 1 139 TYR QE . . . . . . . . . . 1556 . 25839 18
15 2 1 . . 117.534 . . 1 . 1 1 139 TYR CE1 . . . . . . . . . . 1557 . 25839 18
16 1 2 . . 6.549 . . 1 . 1 1 34 HIS HD2 . . . . . . . . . . 1564 . 25839 18
16 2 2 . . 117.534 . . 1 . 1 1 34 HIS CD2 . . . . . . . . . . 1565 . 25839 18
17 1 1 . . 6.890 . . 1 . 1 1 139 TYR QD . . . . . . . . . . 1554 . 25839 18
17 2 1 . . 135.422 . . 1 . 1 1 139 TYR CD1 . . . . . . . . . . 1555 . 25839 18
18 1 2 . . 6.663 . . 1 . 1 1 6 PHE HZ . . . . . . . . . . 1582 . 25839 18
18 2 2 . . 127.692 . . 1 . 1 1 6 PHE CZ . . . . . . . . . . 1611 . 25839 18
20 1 1 . . 6.614 . . 1 . 1 1 98 PHE QE . . . . . . . . . . 1579 . 25839 18
20 2 1 . . 130.330 . . 1 . 1 1 98 PHE CE2 . . . . . . . . . . 1581 . 25839 18
21 1 1 . . 6.731 . . 1 . 1 1 99 TYR QD . . . . . . . . . . 1544 . 25839 18
21 2 1 . . 131.816 . . 1 . 1 1 99 TYR CD1 . . . . . . . . . . 1545 . 25839 18
23 1 1 . . 7.156 . . 1 . 1 1 121 TYR QD . . . . . . . . . . 1552 . 25839 18
23 2 1 . . 133.365 . . 1 . 1 1 121 TYR CD1 . . . . . . . . . . 1553 . 25839 18
24 1 1 . . 7.131 . . 1 . 1 1 4 PHE QD . . . . . . . . . . 1543 . 25839 18
24 2 1 . . 131.722 . . 1 . 1 1 4 PHE CD1 . . . . . . . . . . 1542 . 25839 18
29 1 1 . . 6.647 . . 1 . 1 1 115 TYR QE . . . . . . . . . . 1550 . 25839 18
29 2 1 . . 117.764 . . 1 . 1 1 115 TYR CE2 . . . . . . . . . . 1551 . 25839 18
30 1 2 . . 6.855 . . 1 . 1 1 121 TYR QE . . . . . . . . . . 1585 . 25839 18
30 2 1 . . 118.620 . . 1 . 1 1 121 TYR CE1 . . . . . . . . . . 1586 . 25839 18
31 1 1 . . 6.649 . . 1 . 1 1 99 TYR QE . . . . . . . . . . 1546 . 25839 18
31 2 1 . . 118.683 . . 1 . 1 1 99 TYR CE1 . . . . . . . . . . 1547 . 25839 18
32 1 1 . . 6.847 . . 1 . 1 1 22 HIS HD2 . . . . . . . . . . 1576 . 25839 18
32 2 1 . . 119.562 . . 1 . 1 1 22 HIS CD2 . . . . . . . . . . 1577 . 25839 18
33 1 1 . . 6.913 . . 1 . 1 1 98 PHE QD . . . . . . . . . . 1578 . 25839 18
33 2 1 . . 130.267 . . 1 . 1 1 98 PHE CD2 . . . . . . . . . . 1580 . 25839 18
35 1 1 . . 7.148 . . 1 . 1 1 125 PHE QE . . . . . . . . . . 1562 . 25839 18
35 2 1 . . 131.405 . . 1 . 1 1 125 PHE CE2 . . . . . . . . . . 1563 . 25839 18
36 1 1 . . 7.116 . . 1 . 1 1 6 PHE QD . . . . . . . . . . 1558 . 25839 18
36 2 1 . . 133.137 . . 1 . 1 1 6 PHE CD2 . . . . . . . . . . 1559 . 25839 18
37 1 1 . . 7.016 . . 1 . 1 1 6 PHE QE . . . . . . . . . . 1560 . 25839 18
37 2 1 . . 130.969 . . 1 . 1 1 6 PHE CE2 . . . . . . . . . . 1561 . 25839 18
38 1 2 . . 7.207 . . 1 . 1 1 125 PHE QD . . . . . . . . . . 1583 . 25839 18
38 2 2 . . 131.270 . . 1 . 1 1 125 PHE CD2 . . . . . . . . . . 1584 . 25839 18
39 1 1 . . 7.221 . . 1 . 1 1 115 TYR QD . . . . . . . . . . 1548 . 25839 18
39 2 1 . . 132.531 . . 1 . 1 1 115 TYR CD2 . . . . . . . . . . 1549 . 25839 18
44 1 1 . . 6.663 . . 1 . 1 1 98 PHE HZ . . . . . . . . . . 1612 . 25839 18
44 2 1 . . 127.900 . . 1 . 1 1 98 PHE CZ . . . . . . . . . . 1725 . 25839 18
45 1 1 . . 6.933 . . 1 . . . . . . . . . . . . . . . . 1761 . 25839 18
45 2 1 . . 120.371 . . 1 . . . . . . . . . . . . . . . . 1762 . 25839 18
46 1 2 . . 6.756 . . 1 . . . . . . . . . . . . . . . . 1816 . 25839 18
46 2 1 . . 117.860 . . 1 . . . . . . . . . . . . . . . . 1818 . 25839 18
47 1 1 . . 7.067 . . 1 . . . . . . . . . . . . . . . . 1819 . 25839 18
47 2 1 . . 134.029 . . 1 . . . . . . . . . . . . . . . . 1817 . 25839 18
stop_
save_