Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
436499 | 2k17 RC | 15671 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k17
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 1460
_Distance_constraint_stats_list.Viol_count 2142
_Distance_constraint_stats_list.Viol_total 3475.269
_Distance_constraint_stats_list.Viol_max 2.006
_Distance_constraint_stats_list.Viol_rms 0.0547
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0811
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 56.063 2.006 19 16 "[- *********** .***+2]"
1 2 ARG 51.963 2.006 19 16 "[- *********** .***+2]"
1 3 THR 0.571 0.106 20 0 "[ . 1 . 2]"
1 5 GLN 3.124 0.135 3 0 "[ . 1 . 2]"
1 6 THR 0.798 0.111 8 0 "[ . 1 . 2]"
1 7 ALA 0.927 0.164 14 0 "[ . 1 . 2]"
1 8 ARG 0.885 0.102 9 0 "[ . 1 . 2]"
1 9 LYS 0.324 0.164 14 0 "[ . 1 . 2]"
1 10 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 ALA 1.086 0.295 2 0 "[ . 1 . 2]"
2 6 MET 0.942 0.215 19 0 "[ . 1 . 2]"
2 7 ALA 2.072 0.295 2 0 "[ . 1 . 2]"
2 8 TYR 3.147 0.171 19 0 "[ . 1 . 2]"
2 9 VAL 3.586 0.156 19 0 "[ . 1 . 2]"
2 10 ILE 0.945 0.073 8 0 "[ . 1 . 2]"
2 11 ARG 1.275 0.120 17 0 "[ . 1 . 2]"
2 12 ASP 1.168 0.176 10 0 "[ . 1 . 2]"
2 13 GLU 1.310 0.176 10 0 "[ . 1 . 2]"
2 14 TRP 3.851 0.162 6 0 "[ . 1 . 2]"
2 15 GLY 1.202 0.092 11 0 "[ . 1 . 2]"
2 16 ASN 0.401 0.064 15 0 "[ . 1 . 2]"
2 17 GLN 1.993 0.081 20 0 "[ . 1 . 2]"
2 18 ILE 1.830 0.081 20 0 "[ . 1 . 2]"
2 19 TRP 0.732 0.077 7 0 "[ . 1 . 2]"
2 20 ILE 1.581 0.075 2 0 "[ . 1 . 2]"
2 21 CYS 15.024 0.330 3 0 "[ . 1 . 2]"
2 22 PRO 0.265 0.050 2 0 "[ . 1 . 2]"
2 23 GLY 0.031 0.027 9 0 "[ . 1 . 2]"
2 24 CYS 12.181 0.330 3 0 "[ . 1 . 2]"
2 25 ASN 0.078 0.027 9 0 "[ . 1 . 2]"
2 26 LYS 2.055 0.151 12 0 "[ . 1 . 2]"
2 27 PRO 2.307 0.107 8 0 "[ . 1 . 2]"
2 28 ASP 1.218 0.088 16 0 "[ . 1 . 2]"
2 29 ASP 1.435 0.115 5 0 "[ . 1 . 2]"
2 30 GLY 0.099 0.075 7 0 "[ . 1 . 2]"
2 31 SER 0.627 0.086 7 0 "[ . 1 . 2]"
2 32 PRO 2.005 0.093 5 0 "[ . 1 . 2]"
2 33 MET 3.931 0.146 11 0 "[ . 1 . 2]"
2 34 ILE 4.256 0.201 18 0 "[ . 1 . 2]"
2 35 GLY 0.539 0.093 8 0 "[ . 1 . 2]"
2 36 CYS 16.567 0.349 7 0 "[ . 1 . 2]"
2 37 ASP 1.972 0.145 17 0 "[ . 1 . 2]"
2 38 ASP 0.873 0.079 7 0 "[ . 1 . 2]"
2 39 CYS 18.041 0.897 9 1 "[ . +1 . 2]"
2 40 ASP 0.163 0.052 18 0 "[ . 1 . 2]"
2 41 ASP 1.632 0.095 18 0 "[ . 1 . 2]"
2 42 TRP 3.280 0.111 20 0 "[ . 1 . 2]"
2 43 TYR 0.903 0.131 9 0 "[ . 1 . 2]"
2 44 HIS 10.574 0.311 11 0 "[ . 1 . 2]"
2 45 TRP 5.132 0.091 16 0 "[ . 1 . 2]"
2 46 PRO 1.251 0.075 7 0 "[ . 1 . 2]"
2 47 CYS 10.274 0.308 3 0 "[ . 1 . 2]"
2 48 VAL 1.999 0.081 11 0 "[ . 1 . 2]"
2 49 GLY 0.298 0.054 19 0 "[ . 1 . 2]"
2 50 ILE 4.988 0.111 1 0 "[ . 1 . 2]"
2 51 MET 0.596 0.073 11 0 "[ . 1 . 2]"
2 52 ALA 0.397 0.049 5 0 "[ . 1 . 2]"
2 53 ALA 0.780 0.074 17 0 "[ . 1 . 2]"
2 54 PRO 2.223 0.192 17 0 "[ . 1 . 2]"
2 55 PRO 2.215 0.152 17 0 "[ . 1 . 2]"
2 56 GLU 0.672 0.092 17 0 "[ . 1 . 2]"
2 57 GLU 1.321 0.152 17 0 "[ . 1 . 2]"
2 58 MET 3.627 0.374 18 0 "[ . 1 . 2]"
2 59 GLN 4.623 0.291 17 0 "[ . 1 . 2]"
2 60 TRP 4.880 0.206 18 0 "[ . 1 . 2]"
2 61 PHE 2.557 0.106 18 0 "[ . 1 . 2]"
2 62 CYS 15.097 0.348 13 0 "[ . 1 . 2]"
2 63 PRO 0.963 0.056 14 0 "[ . 1 . 2]"
2 64 LYS 0.481 0.131 9 0 "[ . 1 . 2]"
2 65 CYS 18.788 0.897 9 1 "[ . +1 . 2]"
2 66 ALA 2.368 0.125 7 0 "[ . 1 . 2]"
2 67 ASN 1.330 0.116 10 0 "[ . 1 . 2]"
2 68 LYS 2.409 0.202 10 0 "[ . 1 . 2]"
2 69 ILE 1.976 0.125 7 0 "[ . 1 . 2]"
2 70 LYS 1.414 0.202 10 0 "[ . 1 . 2]"
2 71 LYS 1.131 0.107 12 0 "[ . 1 . 2]"
2 72 ASP 0.239 0.071 19 0 "[ . 1 . 2]"
2 73 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 74 LYS 0.290 0.128 7 0 "[ . 1 . 2]"
2 75 HIS 0.290 0.128 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA H1 1 2 ARG H 5.720 . 5.720 3.413 2.373 4.117 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA H1 1 2 ARG HA 5.170 . 5.170 4.746 3.905 5.598 0.428 6 0 "[ . 1 . 2]" 1
3 1 1 ALA H1 1 2 ARG QB 4.630 . 4.630 4.653 3.616 5.312 0.682 10 5 "[ * .- *+ * . 2]" 1
4 1 1 ALA H1 1 2 ARG QD 5.710 . 5.710 6.669 5.270 7.705 1.995 3 15 "[ +****-***** .****2]" 1
5 1 1 ALA H1 1 2 ARG QG 4.560 . 4.560 5.658 3.354 6.566 2.006 19 14 "[- **.** ***** .***+2]" 1
6 1 1 ALA HA 2 34 ILE MD 4.850 . 4.850 3.205 2.195 3.564 . 0 0 "[ . 1 . 2]" 1
7 1 1 ALA HA 2 34 ILE HG12 5.480 . 5.480 3.374 2.403 3.783 . 0 0 "[ . 1 . 2]" 1
8 1 1 ALA HA 2 60 TRP HB3 4.380 . 4.380 2.784 2.463 3.191 . 0 0 "[ . 1 . 2]" 1
9 1 1 ALA MB 1 2 ARG H 5.000 . 5.000 3.523 3.264 3.657 . 0 0 "[ . 1 . 2]" 1
10 1 1 ALA MB 1 2 ARG HA 4.940 . 4.940 4.273 4.140 4.488 . 0 0 "[ . 1 . 2]" 1
11 1 1 ALA MB 1 3 THR HA 5.780 . 5.780 5.291 4.992 5.787 0.007 17 0 "[ . 1 . 2]" 1
12 1 1 ALA MB 2 34 ILE HA 5.480 . 5.480 4.947 4.773 5.254 . 0 0 "[ . 1 . 2]" 1
13 1 1 ALA MB 2 34 ILE HB 4.600 . 4.600 4.682 4.628 4.801 0.201 18 0 "[ . 1 . 2]" 1
14 1 1 ALA MB 2 34 ILE MD 3.210 . 3.210 1.980 1.918 2.066 . 0 0 "[ . 1 . 2]" 1
15 1 1 ALA MB 2 34 ILE HG12 3.960 . 3.960 3.425 3.150 3.774 . 0 0 "[ . 1 . 2]" 1
16 1 1 ALA MB 2 34 ILE HG13 4.730 . 4.730 2.850 2.692 3.199 . 0 0 "[ . 1 . 2]" 1
17 1 1 ALA MB 2 34 ILE MG 4.770 . 4.770 4.563 4.451 4.700 . 0 0 "[ . 1 . 2]" 1
18 1 1 ALA MB 2 36 CYS HA 5.500 . 5.500 5.156 4.772 5.556 0.056 16 0 "[ . 1 . 2]" 1
19 1 1 ALA MB 2 50 ILE MD 4.360 . 4.360 4.315 4.113 4.408 0.048 17 0 "[ . 1 . 2]" 1
20 1 1 ALA MB 2 50 ILE MG 5.010 . 5.010 4.915 4.711 5.032 0.022 17 0 "[ . 1 . 2]" 1
21 1 1 ALA MB 2 53 ALA HA 5.250 . 5.250 5.157 4.954 5.263 0.013 17 0 "[ . 1 . 2]" 1
22 1 1 ALA MB 2 54 PRO HA 5.320 . 5.320 4.866 4.632 5.139 . 0 0 "[ . 1 . 2]" 1
23 1 1 ALA MB 2 54 PRO HB3 4.650 . 4.650 4.097 3.537 4.842 0.192 17 0 "[ . 1 . 2]" 1
24 1 1 ALA MB 2 54 PRO HD2 4.310 . 4.310 3.010 2.763 3.338 . 0 0 "[ . 1 . 2]" 1
25 1 1 ALA MB 2 54 PRO HD3 4.040 . 4.040 4.090 4.025 4.143 0.103 17 0 "[ . 1 . 2]" 1
26 1 1 ALA MB 2 55 PRO HD2 5.570 . 5.570 4.568 4.204 5.075 . 0 0 "[ . 1 . 2]" 1
27 1 1 ALA MB 2 55 PRO HD3 5.630 . 5.630 5.559 5.092 5.671 0.041 12 0 "[ . 1 . 2]" 1
28 1 1 ALA MB 2 56 GLU HA 5.430 . 5.430 3.390 2.777 5.392 . 0 0 "[ . 1 . 2]" 1
29 1 1 ALA MB 2 58 MET H 5.070 . 5.070 4.096 3.847 4.357 . 0 0 "[ . 1 . 2]" 1
30 1 1 ALA MB 2 58 MET HB2 5.050 . 5.050 4.979 4.538 5.152 0.102 17 0 "[ . 1 . 2]" 1
31 1 1 ALA MB 2 58 MET HB3 4.710 . 4.710 3.569 3.121 4.856 0.146 17 0 "[ . 1 . 2]" 1
32 1 1 ALA MB 2 58 MET QG 4.980 . 4.980 3.795 3.368 4.501 . 0 0 "[ . 1 . 2]" 1
33 1 1 ALA MB 2 59 GLN HA 3.720 . 3.720 3.560 2.862 3.912 0.192 18 0 "[ . 1 . 2]" 1
34 1 1 ALA MB 2 60 TRP H 3.940 . 3.940 3.489 3.144 4.083 0.143 17 0 "[ . 1 . 2]" 1
35 1 1 ALA MB 2 60 TRP HB2 3.390 . 3.390 2.191 1.953 2.686 . 0 0 "[ . 1 . 2]" 1
36 1 1 ALA MB 2 60 TRP HB3 3.420 . 3.420 2.075 1.923 2.532 . 0 0 "[ . 1 . 2]" 1
37 1 1 ALA MB 2 60 TRP HD1 5.030 . 5.030 4.275 3.962 4.661 . 0 0 "[ . 1 . 2]" 1
38 1 1 ALA MB 2 60 TRP HE3 4.550 . 4.550 3.954 3.667 4.335 . 0 0 "[ . 1 . 2]" 1
39 1 1 ALA MB 2 61 PHE H 5.670 . 5.670 5.371 5.197 5.673 0.003 16 0 "[ . 1 . 2]" 1
40 1 2 ARG H 1 2 ARG QG 4.300 . 4.300 3.772 2.413 3.976 . 0 0 "[ . 1 . 2]" 1
41 1 2 ARG H 2 42 TRP HH2 5.500 . 5.500 4.891 4.590 5.248 . 0 0 "[ . 1 . 2]" 1
42 1 2 ARG HA 1 2 ARG HD2 5.370 . 5.370 4.240 3.147 4.679 . 0 0 "[ . 1 . 2]" 1
43 1 2 ARG HA 1 2 ARG HD3 5.450 . 5.450 4.036 2.229 4.733 . 0 0 "[ . 1 . 2]" 1
44 1 2 ARG HA 1 2 ARG HE 5.450 . 5.450 4.464 2.381 5.114 . 0 0 "[ . 1 . 2]" 1
45 1 2 ARG HA 1 2 ARG QG 3.430 . 3.430 2.323 2.161 2.624 . 0 0 "[ . 1 . 2]" 1
46 1 2 ARG HA 1 3 THR H 3.190 . 3.190 2.187 2.078 2.268 . 0 0 "[ . 1 . 2]" 1
47 1 2 ARG QB 1 2 ARG QD 3.100 . 3.100 2.285 2.076 2.491 . 0 0 "[ . 1 . 2]" 1
48 1 2 ARG QB 1 2 ARG HE 4.530 . 4.530 3.095 1.895 4.111 . 0 0 "[ . 1 . 2]" 1
49 1 2 ARG QB 1 3 THR H 4.220 . 4.220 3.658 2.957 3.910 . 0 0 "[ . 1 . 2]" 1
50 1 2 ARG QB 2 35 GLY H . . 4.430 2.968 2.601 3.342 . 0 0 "[ . 1 . 2]" 1
51 1 2 ARG QB 2 42 TRP HH2 . . 3.750 2.199 1.947 2.376 . 0 0 "[ . 1 . 2]" 1
52 1 2 ARG QB 2 42 TRP HZ2 4.460 . 4.460 3.293 2.956 3.468 . 0 0 "[ . 1 . 2]" 1
53 1 2 ARG QB 2 42 TRP HZ3 4.900 . 4.900 3.515 3.116 3.827 . 0 0 "[ . 1 . 2]" 1
54 1 2 ARG QD 1 3 THR H 5.700 . 5.700 4.373 2.065 5.440 . 0 0 "[ . 1 . 2]" 1
55 1 2 ARG QD 2 42 TRP HH2 4.630 . 4.630 2.601 1.886 4.043 . 0 0 "[ . 1 . 2]" 1
56 1 2 ARG HD2 2 42 TRP HZ2 5.670 . 5.670 3.311 1.889 4.978 . 0 0 "[ . 1 . 2]" 1
57 1 2 ARG HD3 2 42 TRP HZ2 5.810 . 5.810 3.682 1.930 5.680 . 0 0 "[ . 1 . 2]" 1
58 1 2 ARG QG 1 3 THR H 4.220 . 4.220 3.274 2.425 4.326 0.106 20 0 "[ . 1 . 2]" 1
59 1 2 ARG QG 2 35 GLY H 5.130 . 5.130 4.750 4.319 5.185 0.055 6 0 "[ . 1 . 2]" 1
60 1 2 ARG QG 2 42 TRP HH2 3.580 . 3.580 2.575 1.990 3.576 . 0 0 "[ . 1 . 2]" 1
61 1 2 ARG QG 2 42 TRP HZ2 4.050 . 4.050 3.652 2.760 4.068 0.018 12 0 "[ . 1 . 2]" 1
62 1 2 ARG QG 2 42 TRP HZ3 4.920 . 4.920 4.460 3.769 5.031 0.111 20 0 "[ . 1 . 2]" 1
63 1 3 THR H 1 3 THR MG 3.850 . 3.850 3.046 2.814 3.435 . 0 0 "[ . 1 . 2]" 1
64 1 3 THR H 2 42 TRP HH2 4.850 . 4.850 4.326 3.800 4.736 . 0 0 "[ . 1 . 2]" 1
65 1 3 THR H 2 42 TRP HZ3 5.240 . 5.240 4.672 4.282 5.013 . 0 0 "[ . 1 . 2]" 1
66 1 3 THR HA 1 3 THR MG 3.450 . 3.450 2.217 2.111 2.308 . 0 0 "[ . 1 . 2]" 1
67 1 3 THR HA 2 34 ILE HA 4.010 . 4.010 2.539 2.356 2.702 . 0 0 "[ . 1 . 2]" 1
68 1 3 THR HA 2 34 ILE HB 4.960 . 4.960 4.042 3.642 4.383 . 0 0 "[ . 1 . 2]" 1
69 1 3 THR HA 2 34 ILE HG12 5.520 . 5.520 5.201 4.920 5.468 . 0 0 "[ . 1 . 2]" 1
70 1 3 THR HA 2 35 GLY H 4.480 . 4.480 3.718 3.511 4.096 . 0 0 "[ . 1 . 2]" 1
71 1 3 THR HA 2 42 TRP HE3 6.280 . 6.280 4.789 4.417 5.185 . 0 0 "[ . 1 . 2]" 1
72 1 3 THR HA 2 42 TRP HH2 4.750 . 4.750 4.033 3.678 4.345 . 0 0 "[ . 1 . 2]" 1
73 1 3 THR HA 2 42 TRP HZ3 3.810 . 3.810 2.750 2.368 3.023 . 0 0 "[ . 1 . 2]" 1
74 1 3 THR HA 2 45 TRP HE1 4.590 . 4.590 3.491 3.178 3.836 . 0 0 "[ . 1 . 2]" 1
75 1 3 THR HA 2 45 TRP HZ2 6.140 . 6.140 4.250 4.022 4.432 . 0 0 "[ . 1 . 2]" 1
76 1 3 THR HB 2 33 MET H 5.190 . 5.190 4.884 4.332 5.207 0.017 16 0 "[ . 1 . 2]" 1
77 1 3 THR HB 2 45 TRP HE1 3.990 . 3.990 3.441 2.812 3.966 . 0 0 "[ . 1 . 2]" 1
78 1 3 THR HB 2 45 TRP HZ2 3.800 . 3.800 2.291 2.007 2.675 . 0 0 "[ . 1 . 2]" 1
79 1 3 THR MG 2 34 ILE H 5.000 . 5.000 4.570 4.333 4.964 . 0 0 "[ . 1 . 2]" 1
80 1 3 THR MG 2 34 ILE HA 3.660 . 3.660 2.718 2.493 2.973 . 0 0 "[ . 1 . 2]" 1
81 1 3 THR MG 2 34 ILE HB 4.050 . 4.050 2.494 2.147 2.982 . 0 0 "[ . 1 . 2]" 1
82 1 3 THR MG 2 34 ILE MD 3.360 . 3.360 2.606 2.258 2.915 . 0 0 "[ . 1 . 2]" 1
83 1 3 THR MG 2 34 ILE HG12 4.650 . 4.650 3.813 3.618 4.056 . 0 0 "[ . 1 . 2]" 1
84 1 3 THR MG 2 34 ILE HG13 4.400 . 4.400 2.389 2.176 2.704 . 0 0 "[ . 1 . 2]" 1
85 1 3 THR MG 2 34 ILE MG 4.410 . 4.410 3.855 3.558 4.228 . 0 0 "[ . 1 . 2]" 1
86 1 3 THR MG 2 35 GLY H 4.300 . 4.300 3.883 3.722 4.275 . 0 0 "[ . 1 . 2]" 1
87 1 3 THR MG 2 42 TRP HZ3 4.260 . 4.260 4.248 3.960 4.316 0.056 10 0 "[ . 1 . 2]" 1
88 1 3 THR MG 2 45 TRP HD1 4.620 . 4.620 4.127 3.897 4.621 0.001 15 0 "[ . 1 . 2]" 1
89 1 3 THR MG 2 45 TRP HE1 3.370 . 3.370 2.039 1.769 2.576 . 0 0 "[ . 1 . 2]" 1
90 1 3 THR MG 2 45 TRP HH2 4.720 . 4.720 4.343 4.133 4.561 . 0 0 "[ . 1 . 2]" 1
91 1 3 THR MG 2 45 TRP HZ2 3.220 . 3.220 2.506 2.234 2.821 . 0 0 "[ . 1 . 2]" 1
92 1 3 THR MG 2 50 ILE MG 4.130 . 4.130 3.296 2.881 3.659 . 0 0 "[ . 1 . 2]" 1
93 1 3 THR MG 2 53 ALA HA 4.020 . 4.020 2.291 1.918 2.730 . 0 0 "[ . 1 . 2]" 1
94 1 3 THR MG 2 54 PRO HD2 3.670 . 3.670 2.093 1.830 2.392 . 0 0 "[ . 1 . 2]" 1
95 1 3 THR MG 2 54 PRO HD3 3.750 . 3.750 2.917 2.420 3.534 . 0 0 "[ . 1 . 2]" 1
96 1 5 GLN H 1 5 GLN HG2 5.150 . 5.150 4.436 4.024 4.568 . 0 0 "[ . 1 . 2]" 1
97 1 5 GLN H 1 5 GLN HG3 5.280 . 5.280 4.496 2.512 4.806 . 0 0 "[ . 1 . 2]" 1
98 1 5 GLN H 1 6 THR H 5.820 . 5.820 3.827 2.110 4.385 . 0 0 "[ . 1 . 2]" 1
99 1 5 GLN HA 1 5 GLN HE22 5.760 . 5.760 5.816 5.665 5.895 0.135 3 0 "[ . 1 . 2]" 1
100 1 5 GLN HA 1 5 GLN HG3 4.340 . 4.340 2.602 2.360 3.751 . 0 0 "[ . 1 . 2]" 1
101 1 5 GLN HA 1 6 THR H 4.070 . 4.070 2.329 2.037 3.583 . 0 0 "[ . 1 . 2]" 1
102 1 5 GLN HA 2 32 PRO HA 4.270 . 4.270 2.491 1.960 3.867 . 0 0 "[ . 1 . 2]" 1
103 1 5 GLN HA 2 33 MET H 4.580 . 4.580 3.468 3.085 4.050 . 0 0 "[ . 1 . 2]" 1
104 1 5 GLN QB 1 5 GLN QE 3.700 . 3.700 3.123 1.846 3.493 . 0 0 "[ . 1 . 2]" 1
105 1 5 GLN QB 2 32 PRO HA 4.450 . 4.450 2.515 1.866 2.796 . 0 0 "[ . 1 . 2]" 1
106 1 5 GLN HB2 1 5 GLN HE22 4.880 . 4.880 4.328 3.528 4.791 . 0 0 "[ . 1 . 2]" 1
107 1 5 GLN HB2 1 6 THR H 5.210 . 5.210 4.093 2.138 4.487 . 0 0 "[ . 1 . 2]" 1
108 1 5 GLN HB2 1 7 ALA H 6.050 . 6.050 4.926 2.996 6.034 . 0 0 "[ . 1 . 2]" 1
109 1 5 GLN HB2 2 32 PRO HA 5.030 . 5.030 2.693 2.234 3.493 . 0 0 "[ . 1 . 2]" 1
110 1 5 GLN HB2 2 32 PRO HB2 5.710 . 5.710 4.595 4.255 5.602 . 0 0 "[ . 1 . 2]" 1
111 1 5 GLN HB2 2 32 PRO HG2 5.090 . 5.090 4.660 3.894 5.104 0.014 12 0 "[ . 1 . 2]" 1
112 1 5 GLN HB2 2 32 PRO HG3 5.410 . 5.410 3.135 2.173 3.772 . 0 0 "[ . 1 . 2]" 1
113 1 5 GLN HB2 2 33 MET H 5.960 . 5.960 4.322 3.797 5.022 . 0 0 "[ . 1 . 2]" 1
114 1 5 GLN HB3 1 5 GLN HE22 4.730 . 4.730 4.406 3.533 4.807 0.077 12 0 "[ . 1 . 2]" 1
115 1 5 GLN HB3 1 6 THR H 5.080 . 5.080 3.896 2.117 4.387 . 0 0 "[ . 1 . 2]" 1
116 1 5 GLN HB3 2 32 PRO HA 5.060 . 5.060 3.917 1.874 4.295 . 0 0 "[ . 1 . 2]" 1
117 1 5 GLN HB3 2 33 MET H 5.890 . 5.890 5.436 3.113 5.874 . 0 0 "[ . 1 . 2]" 1
118 1 5 GLN HE22 1 7 ALA MB 5.150 . 5.150 4.208 2.971 5.276 0.126 7 0 "[ . 1 . 2]" 1
119 1 5 GLN HE22 2 31 SER HA 5.700 . 5.700 5.257 4.417 5.768 0.068 9 0 "[ . 1 . 2]" 1
120 1 5 GLN HE22 2 32 PRO HD2 5.810 . 5.810 5.598 5.127 5.886 0.076 12 0 "[ . 1 . 2]" 1
121 1 5 GLN HG2 1 6 THR H 5.840 . 5.840 3.309 2.204 5.201 . 0 0 "[ . 1 . 2]" 1
122 1 5 GLN HG2 1 7 ALA H 5.720 . 5.720 2.932 1.980 5.663 . 0 0 "[ . 1 . 2]" 1
123 1 5 GLN HG2 2 32 PRO HG2 5.620 . 5.620 5.447 3.696 5.713 0.093 5 0 "[ . 1 . 2]" 1
124 1 5 GLN HG2 2 32 PRO HG3 5.260 . 5.260 3.782 1.952 4.117 . 0 0 "[ . 1 . 2]" 1
125 1 5 GLN HG2 2 33 MET H 6.060 . 6.060 5.962 4.693 6.141 0.081 13 0 "[ . 1 . 2]" 1
126 1 5 GLN HG3 1 6 THR H 5.500 . 5.500 3.689 2.913 4.858 . 0 0 "[ . 1 . 2]" 1
127 1 5 GLN HG3 1 7 ALA H 5.760 . 5.760 4.114 3.087 5.613 . 0 0 "[ . 1 . 2]" 1
128 1 5 GLN HG3 2 32 PRO HA 5.400 . 5.400 2.934 2.511 4.245 . 0 0 "[ . 1 . 2]" 1
129 1 5 GLN HG3 2 32 PRO HB3 6.200 . 6.200 3.805 3.190 5.020 . 0 0 "[ . 1 . 2]" 1
130 1 5 GLN HG3 2 32 PRO HD2 5.800 . 5.800 4.202 3.746 5.879 0.079 2 0 "[ . 1 . 2]" 1
131 1 5 GLN HG3 2 32 PRO HG2 5.320 . 5.320 4.214 3.789 5.354 0.034 2 0 "[ . 1 . 2]" 1
132 1 5 GLN HG3 2 32 PRO HG3 5.030 . 5.030 2.643 2.247 3.620 . 0 0 "[ . 1 . 2]" 1
133 1 5 GLN HG3 2 33 MET H 5.870 . 5.870 4.828 4.625 5.866 . 0 0 "[ . 1 . 2]" 1
134 1 6 THR H 1 6 THR MG 4.230 . 4.230 3.596 2.062 3.950 . 0 0 "[ . 1 . 2]" 1
135 1 6 THR H 1 7 ALA H 5.200 . 5.200 2.779 1.905 3.924 . 0 0 "[ . 1 . 2]" 1
136 1 6 THR H 1 7 ALA MB 6.110 . 6.110 4.389 3.658 5.152 . 0 0 "[ . 1 . 2]" 1
137 1 6 THR HA 1 6 THR MG 3.340 . 3.340 2.414 2.160 3.245 . 0 0 "[ . 1 . 2]" 1
138 1 6 THR HA 1 7 ALA H 3.620 . 3.620 3.120 2.245 3.628 0.008 14 0 "[ . 1 . 2]" 1
139 1 6 THR HA 1 7 ALA MB 4.450 . 4.450 4.281 4.043 4.561 0.111 8 0 "[ . 1 . 2]" 1
140 1 6 THR HB 1 7 ALA H 4.680 . 4.680 3.306 2.042 4.526 . 0 0 "[ . 1 . 2]" 1
141 1 6 THR HB 1 7 ALA MB 5.850 . 5.850 4.580 3.370 5.902 0.052 18 0 "[ . 1 . 2]" 1
142 1 6 THR HB 2 30 GLY HA3 6.120 . 6.120 3.547 2.192 5.752 . 0 0 "[ . 1 . 2]" 1
143 1 6 THR MG 1 7 ALA H 4.260 . 4.260 3.669 2.309 4.245 . 0 0 "[ . 1 . 2]" 1
144 1 6 THR MG 1 8 ARG H 5.510 . 5.510 5.058 3.178 5.612 0.102 9 0 "[ . 1 . 2]" 1
145 1 6 THR MG 2 30 GLY HA2 4.940 . 4.940 3.412 1.932 4.248 . 0 0 "[ . 1 . 2]" 1
146 1 6 THR MG 2 30 GLY HA3 5.040 . 5.040 3.993 2.958 5.051 0.011 5 0 "[ . 1 . 2]" 1
147 1 7 ALA H 1 7 ALA MB 3.400 . 3.400 2.620 2.204 2.974 . 0 0 "[ . 1 . 2]" 1
148 1 7 ALA H 2 30 GLY HA3 5.810 . 5.810 4.081 2.272 5.463 . 0 0 "[ . 1 . 2]" 1
149 1 7 ALA HA 1 8 ARG H 3.440 . 3.440 2.628 2.046 3.495 0.055 14 0 "[ . 1 . 2]" 1
150 1 7 ALA MB 1 8 ARG H 4.070 . 4.070 2.596 1.737 3.613 . 0 0 "[ . 1 . 2]" 1
151 1 7 ALA MB 1 9 LYS H 4.280 . 4.280 3.391 2.029 4.444 0.164 14 0 "[ . 1 . 2]" 1
152 1 8 ARG H 1 8 ARG HB2 4.080 . 4.080 3.137 2.293 4.053 . 0 0 "[ . 1 . 2]" 1
153 1 8 ARG H 1 8 ARG HB3 4.350 . 4.350 3.339 2.496 4.040 . 0 0 "[ . 1 . 2]" 1
154 1 8 ARG H 1 8 ARG QD 5.570 . 5.570 4.298 1.793 5.517 . 0 0 "[ . 1 . 2]" 1
155 1 8 ARG H 1 8 ARG HG2 4.760 . 4.760 3.701 1.785 4.821 0.061 15 0 "[ . 1 . 2]" 1
156 1 8 ARG H 1 8 ARG QG 4.910 . 4.910 3.128 1.764 4.242 . 0 0 "[ . 1 . 2]" 1
157 1 8 ARG H 1 8 ARG HG3 4.700 . 4.700 3.579 2.574 4.713 0.013 19 0 "[ . 1 . 2]" 1
158 1 8 ARG HA 1 8 ARG QD 4.500 . 4.500 4.022 2.083 4.527 0.027 16 0 "[ . 1 . 2]" 1
159 1 8 ARG HA 1 8 ARG HG2 4.500 . 4.500 3.272 2.392 3.850 . 0 0 "[ . 1 . 2]" 1
160 1 8 ARG HA 1 8 ARG QG 3.770 . 3.770 2.769 2.281 3.396 . 0 0 "[ . 1 . 2]" 1
161 1 8 ARG HA 1 9 LYS H 3.800 . 3.800 2.938 1.896 3.563 . 0 0 "[ . 1 . 2]" 1
162 1 8 ARG QB 1 8 ARG QD 3.340 . 3.340 2.262 2.074 2.798 . 0 0 "[ . 1 . 2]" 1
163 1 8 ARG HB2 1 8 ARG QD 3.830 . 3.830 2.572 2.209 2.940 . 0 0 "[ . 1 . 2]" 1
164 1 8 ARG HB3 1 8 ARG QD 3.830 . 3.830 2.644 2.291 3.514 . 0 0 "[ . 1 . 2]" 1
165 1 8 ARG QG 1 9 LYS H 5.160 . 5.160 3.771 2.501 4.606 . 0 0 "[ . 1 . 2]" 1
166 1 8 ARG HG2 1 9 LYS H 5.690 . 5.690 4.336 2.906 5.767 0.077 17 0 "[ . 1 . 2]" 1
167 1 8 ARG HG3 1 9 LYS H 5.570 . 5.570 4.274 2.649 5.308 . 0 0 "[ . 1 . 2]" 1
168 1 9 LYS H 1 9 LYS HB2 4.220 . 4.220 3.225 2.408 3.845 . 0 0 "[ . 1 . 2]" 1
169 1 9 LYS H 1 9 LYS HB3 4.380 . 4.380 3.364 2.520 4.144 . 0 0 "[ . 1 . 2]" 1
170 1 9 LYS H 1 9 LYS QG 4.130 . 4.130 2.988 1.963 4.157 0.027 6 0 "[ . 1 . 2]" 1
171 1 9 LYS HA 1 9 LYS QE 6.010 . 6.010 4.517 3.903 5.480 . 0 0 "[ . 1 . 2]" 1
172 1 10 SER HA 1 11 THR H 5.600 . 5.600 2.655 2.101 3.533 . 0 0 "[ . 1 . 2]" 1
173 1 11 THR HA 1 12 GLY H 5.670 . 5.670 2.768 2.103 3.529 . 0 0 "[ . 1 . 2]" 1
174 1 11 THR MG 1 12 GLY H 4.670 . 4.670 3.639 2.466 4.308 . 0 0 "[ . 1 . 2]" 1
175 2 5 ALA HA 2 6 MET H 3.140 . 3.140 2.502 2.057 3.339 0.199 15 0 "[ . 1 . 2]" 1
176 2 5 ALA MB 2 6 MET H 4.000 . 4.000 2.810 1.569 3.666 . 0 0 "[ . 1 . 2]" 1
177 2 5 ALA MB 2 7 ALA H 4.750 . 4.750 4.026 2.734 5.045 0.295 2 0 "[ . 1 . 2]" 1
178 2 6 MET H 2 6 MET HB2 4.120 . 4.120 3.190 2.363 4.028 . 0 0 "[ . 1 . 2]" 1
179 2 6 MET H 2 6 MET QB 3.480 . 3.480 2.814 2.331 3.377 . 0 0 "[ . 1 . 2]" 1
180 2 6 MET H 2 6 MET HB3 4.120 . 4.120 3.461 2.480 4.140 0.020 20 0 "[ . 1 . 2]" 1
181 2 6 MET H 2 6 MET QG 4.230 . 4.230 2.918 2.058 4.125 . 0 0 "[ . 1 . 2]" 1
182 2 6 MET H 2 7 ALA H 4.170 . 4.170 3.306 1.895 4.281 0.111 7 0 "[ . 1 . 2]" 1
183 2 6 MET HA 2 6 MET QG 3.950 . 3.950 2.790 2.348 3.383 . 0 0 "[ . 1 . 2]" 1
184 2 6 MET HA 2 7 ALA H 3.010 . 3.010 2.504 1.987 3.225 0.215 19 0 "[ . 1 . 2]" 1
185 2 6 MET QB 2 7 ALA H 4.110 . 4.110 3.443 1.865 3.994 . 0 0 "[ . 1 . 2]" 1
186 2 6 MET HB2 2 7 ALA H 4.700 . 4.700 3.929 1.874 4.472 . 0 0 "[ . 1 . 2]" 1
187 2 6 MET HB3 2 7 ALA H 4.700 . 4.700 4.004 2.478 4.512 . 0 0 "[ . 1 . 2]" 1
188 2 6 MET QG 2 7 ALA H 4.920 . 4.920 3.909 2.343 4.880 . 0 0 "[ . 1 . 2]" 1
189 2 7 ALA H 2 7 ALA MB 3.090 . 3.090 2.525 2.242 3.002 . 0 0 "[ . 1 . 2]" 1
190 2 7 ALA H 2 8 TYR H 4.450 . 4.450 4.251 3.241 4.540 0.090 4 0 "[ . 1 . 2]" 1
191 2 7 ALA HA 2 8 TYR H 3.080 . 3.080 2.501 2.038 3.251 0.171 19 0 "[ . 1 . 2]" 1
192 2 7 ALA HA 2 8 TYR QD 4.560 . 4.560 3.855 3.106 4.537 . 0 0 "[ . 1 . 2]" 1
193 2 7 ALA HA 2 9 VAL H 4.620 . 4.620 4.064 2.903 4.630 0.010 9 0 "[ . 1 . 2]" 1
194 2 7 ALA MB 2 8 TYR H 3.540 . 3.540 2.465 1.706 3.566 0.026 7 0 "[ . 1 . 2]" 1
195 2 7 ALA MB 2 8 TYR QD 5.130 . 5.130 4.008 2.502 5.096 . 0 0 "[ . 1 . 2]" 1
196 2 7 ALA MB 2 9 VAL H 3.920 . 3.920 2.972 2.295 4.032 0.112 12 0 "[ . 1 . 2]" 1
197 2 7 ALA MB 2 9 VAL QG 4.220 . 4.220 3.018 2.119 4.334 0.114 16 0 "[ . 1 . 2]" 1
198 2 8 TYR H 2 8 TYR HB2 3.330 . 3.330 2.527 2.236 3.417 0.087 7 0 "[ . 1 . 2]" 1
199 2 8 TYR H 2 8 TYR HB3 4.020 . 4.020 3.654 3.488 4.090 0.070 16 0 "[ . 1 . 2]" 1
200 2 8 TYR H 2 8 TYR QD 3.800 . 3.800 2.826 2.315 3.321 . 0 0 "[ . 1 . 2]" 1
201 2 8 TYR H 2 8 TYR QE 5.400 . 5.400 4.812 4.459 5.328 . 0 0 "[ . 1 . 2]" 1
202 2 8 TYR H 2 9 VAL H 3.430 . 3.430 2.716 2.179 3.466 0.036 7 0 "[ . 1 . 2]" 1
203 2 8 TYR H 2 9 VAL QG 4.830 . 4.830 3.590 2.616 4.758 . 0 0 "[ . 1 . 2]" 1
204 2 8 TYR HA 2 8 TYR QD 3.440 . 3.440 2.824 2.509 3.025 . 0 0 "[ . 1 . 2]" 1
205 2 8 TYR HA 2 8 TYR QE 4.590 . 4.590 4.490 4.406 4.605 0.015 11 0 "[ . 1 . 2]" 1
206 2 8 TYR HA 2 10 ILE MG 4.540 . 4.540 3.959 3.197 4.478 . 0 0 "[ . 1 . 2]" 1
207 2 8 TYR HA 2 20 ILE HB 4.150 . 4.150 2.893 2.123 3.732 . 0 0 "[ . 1 . 2]" 1
208 2 8 TYR HA 2 20 ILE MD 5.140 . 5.140 4.513 3.181 5.180 0.040 2 0 "[ . 1 . 2]" 1
209 2 8 TYR HA 2 20 ILE MG 4.830 . 4.830 4.029 3.381 4.905 0.075 2 0 "[ . 1 . 2]" 1
210 2 8 TYR HB2 2 9 VAL H 4.300 . 4.300 3.780 2.986 4.330 0.030 1 0 "[ . 1 . 2]" 1
211 2 8 TYR HB2 2 20 ILE H 4.600 . 4.600 3.948 2.842 4.544 . 0 0 "[ . 1 . 2]" 1
212 2 8 TYR HB2 2 20 ILE HB 4.770 . 4.770 3.941 3.271 4.462 . 0 0 "[ . 1 . 2]" 1
213 2 8 TYR HB3 2 9 VAL H 4.010 . 4.010 4.071 3.725 4.166 0.156 19 0 "[ . 1 . 2]" 1
214 2 8 TYR HB3 2 20 ILE H 4.090 . 4.090 2.613 1.996 3.106 . 0 0 "[ . 1 . 2]" 1
215 2 8 TYR HB3 2 20 ILE HB 4.060 . 4.060 2.296 1.790 2.963 . 0 0 "[ . 1 . 2]" 1
216 2 8 TYR HB3 2 20 ILE MD 5.180 . 5.180 4.615 3.876 5.232 0.052 7 0 "[ . 1 . 2]" 1
217 2 8 TYR HB3 2 20 ILE MG 4.750 . 4.750 3.606 2.915 4.465 . 0 0 "[ . 1 . 2]" 1
218 2 8 TYR QD 2 9 VAL H 4.800 . 4.800 4.693 4.418 4.841 0.041 19 0 "[ . 1 . 2]" 1
219 2 8 TYR QD 2 10 ILE MG 5.500 . 5.500 5.362 4.556 5.524 0.024 9 0 "[ . 1 . 2]" 1
220 2 8 TYR QD 2 20 ILE H 4.770 . 4.770 4.042 3.284 4.598 . 0 0 "[ . 1 . 2]" 1
221 2 8 TYR QD 2 20 ILE HB 3.380 . 3.380 2.083 1.902 2.402 . 0 0 "[ . 1 . 2]" 1
222 2 8 TYR QD 2 20 ILE MD 4.850 . 4.850 4.469 4.177 4.821 . 0 0 "[ . 1 . 2]" 1
223 2 8 TYR QD 2 20 ILE QG 3.890 . 3.890 3.574 2.742 3.911 0.021 13 0 "[ . 1 . 2]" 1
224 2 8 TYR QD 2 20 ILE MG 3.370 . 3.370 2.304 1.911 2.986 . 0 0 "[ . 1 . 2]" 1
225 2 8 TYR QD 2 21 CYS H 5.500 . 5.500 4.964 4.394 5.532 0.032 2 0 "[ . 1 . 2]" 1
226 2 8 TYR QD 2 22 PRO HA 5.030 . 5.030 3.805 3.315 4.463 . 0 0 "[ . 1 . 2]" 1
227 2 8 TYR QE 2 20 ILE HB 4.600 . 4.600 4.216 3.330 4.631 0.031 17 0 "[ . 1 . 2]" 1
228 2 8 TYR QE 2 20 ILE QG 5.340 . 5.340 5.063 4.537 5.341 0.001 4 0 "[ . 1 . 2]" 1
229 2 8 TYR QE 2 20 ILE MG 3.820 . 3.820 3.118 2.673 3.605 . 0 0 "[ . 1 . 2]" 1
230 2 8 TYR QE 2 22 PRO HA 3.810 . 3.810 2.911 2.074 3.778 . 0 0 "[ . 1 . 2]" 1
231 2 8 TYR QE 2 22 PRO HB2 5.200 . 5.200 4.565 4.259 5.206 0.006 16 0 "[ . 1 . 2]" 1
232 2 8 TYR QE 2 22 PRO QB 4.390 . 4.390 3.107 2.603 3.680 . 0 0 "[ . 1 . 2]" 1
233 2 8 TYR QE 2 22 PRO HB3 5.200 . 5.200 3.164 2.627 3.762 . 0 0 "[ . 1 . 2]" 1
234 2 8 TYR QE 2 25 ASN HA 5.430 . 5.430 3.798 3.116 4.863 . 0 0 "[ . 1 . 2]" 1
235 2 9 VAL H 2 9 VAL HB 3.600 . 3.600 2.856 2.588 3.491 . 0 0 "[ . 1 . 2]" 1
236 2 9 VAL H 2 9 VAL MG1 4.030 . 4.030 3.299 1.952 4.036 0.006 1 0 "[ . 1 . 2]" 1
237 2 9 VAL H 2 9 VAL QG 3.390 . 3.390 2.450 1.946 2.975 . 0 0 "[ . 1 . 2]" 1
238 2 9 VAL H 2 9 VAL MG2 4.030 . 4.030 3.086 2.264 4.026 . 0 0 "[ . 1 . 2]" 1
239 2 9 VAL H 2 10 ILE H 4.660 . 4.660 4.233 4.002 4.537 . 0 0 "[ . 1 . 2]" 1
240 2 9 VAL H 2 10 ILE MG 4.540 . 4.540 3.994 3.521 4.573 0.033 4 0 "[ . 1 . 2]" 1
241 2 9 VAL HA 2 9 VAL MG1 3.540 . 3.540 2.680 2.330 3.251 . 0 0 "[ . 1 . 2]" 1
242 2 9 VAL HA 2 9 VAL MG2 3.540 . 3.540 2.458 2.387 2.587 . 0 0 "[ . 1 . 2]" 1
243 2 9 VAL HA 2 10 ILE H 2.860 . 2.860 2.118 2.006 2.222 . 0 0 "[ . 1 . 2]" 1
244 2 9 VAL HA 2 10 ILE QG 4.250 . 4.250 3.865 3.643 4.064 . 0 0 "[ . 1 . 2]" 1
245 2 9 VAL HA 2 18 ILE H 4.800 . 4.800 4.184 3.886 4.464 . 0 0 "[ . 1 . 2]" 1
246 2 9 VAL HA 2 18 ILE HB 5.100 . 5.100 4.808 4.665 5.084 . 0 0 "[ . 1 . 2]" 1
247 2 9 VAL HA 2 19 TRP HA 4.030 . 4.030 2.354 1.975 2.661 . 0 0 "[ . 1 . 2]" 1
248 2 9 VAL HA 2 20 ILE H 4.470 . 4.470 3.337 2.935 3.819 . 0 0 "[ . 1 . 2]" 1
249 2 9 VAL QG 2 10 ILE H 3.410 . 3.410 2.797 2.492 3.087 . 0 0 "[ . 1 . 2]" 1
250 2 9 VAL QG 2 10 ILE MG 4.270 . 4.270 4.139 3.921 4.292 0.022 10 0 "[ . 1 . 2]" 1
251 2 9 VAL QG 2 11 ARG H 5.250 . 5.250 4.744 4.434 5.073 . 0 0 "[ . 1 . 2]" 1
252 2 9 VAL QG 2 17 GLN HA 4.180 . 4.180 3.039 2.858 3.210 . 0 0 "[ . 1 . 2]" 1
253 2 9 VAL QG 2 17 GLN HB2 3.630 . 3.630 3.531 3.324 3.685 0.055 1 0 "[ . 1 . 2]" 1
254 2 9 VAL QG 2 17 GLN HB3 3.720 . 3.720 2.134 1.905 2.344 . 0 0 "[ . 1 . 2]" 1
255 2 9 VAL QG 2 17 GLN HE21 3.820 . 3.820 1.889 1.644 2.702 . 0 0 "[ . 1 . 2]" 1
256 2 9 VAL QG 2 17 GLN HE22 4.040 . 4.040 2.989 2.681 3.385 . 0 0 "[ . 1 . 2]" 1
257 2 9 VAL QG 2 17 GLN HG2 3.790 . 3.790 2.556 2.347 2.732 . 0 0 "[ . 1 . 2]" 1
258 2 9 VAL QG 2 17 GLN HG3 3.810 . 3.810 3.820 3.705 3.882 0.072 7 0 "[ . 1 . 2]" 1
259 2 9 VAL QG 2 18 ILE H 4.080 . 4.080 3.024 2.584 3.197 . 0 0 "[ . 1 . 2]" 1
260 2 9 VAL QG 2 19 TRP HA 3.890 . 3.890 3.062 2.714 3.449 . 0 0 "[ . 1 . 2]" 1
261 2 9 VAL QG 2 19 TRP HD1 4.140 . 4.140 3.101 2.116 3.884 . 0 0 "[ . 1 . 2]" 1
262 2 9 VAL QG 2 19 TRP HE1 3.950 . 3.950 2.778 2.345 3.435 . 0 0 "[ . 1 . 2]" 1
263 2 9 VAL QG 2 19 TRP HZ2 3.980 . 3.980 3.410 3.054 3.870 . 0 0 "[ . 1 . 2]" 1
264 2 9 VAL MG1 2 10 ILE H 4.190 . 4.190 3.307 2.537 4.193 0.003 8 0 "[ . 1 . 2]" 1
265 2 9 VAL MG1 2 17 GLN HB3 4.480 . 4.480 2.943 2.102 4.472 . 0 0 "[ . 1 . 2]" 1
266 2 9 VAL MG1 2 17 GLN HE21 4.340 . 4.340 2.338 1.648 3.847 . 0 0 "[ . 1 . 2]" 1
267 2 9 VAL MG1 2 17 GLN HE22 4.710 . 4.710 3.361 2.846 4.167 . 0 0 "[ . 1 . 2]" 1
268 2 9 VAL MG1 2 17 GLN HG2 4.640 . 4.640 3.163 2.353 4.635 . 0 0 "[ . 1 . 2]" 1
269 2 9 VAL MG1 2 18 ILE H 5.500 . 5.500 3.896 2.931 5.515 0.015 8 0 "[ . 1 . 2]" 1
270 2 9 VAL MG1 2 19 TRP HA 4.580 . 4.580 3.965 3.101 4.657 0.077 7 0 "[ . 1 . 2]" 1
271 2 9 VAL MG1 2 19 TRP HD1 4.960 . 4.960 4.459 3.753 4.927 . 0 0 "[ . 1 . 2]" 1
272 2 9 VAL MG1 2 19 TRP HE1 4.950 . 4.950 3.895 3.105 4.498 . 0 0 "[ . 1 . 2]" 1
273 2 9 VAL MG1 2 19 TRP HZ2 4.720 . 4.720 4.129 3.699 4.735 0.015 3 0 "[ . 1 . 2]" 1
274 2 9 VAL MG2 2 10 ILE H 4.190 . 4.190 3.684 2.518 4.231 0.041 19 0 "[ . 1 . 2]" 1
275 2 9 VAL MG2 2 17 GLN HB3 4.480 . 4.480 3.272 1.909 4.230 . 0 0 "[ . 1 . 2]" 1
276 2 9 VAL MG2 2 17 GLN HE21 4.340 . 4.340 2.897 1.824 4.335 . 0 0 "[ . 1 . 2]" 1
277 2 9 VAL MG2 2 17 GLN HE22 4.710 . 4.710 3.670 2.873 4.503 . 0 0 "[ . 1 . 2]" 1
278 2 9 VAL MG2 2 17 GLN HG2 4.640 . 4.640 3.978 2.653 4.713 0.073 5 0 "[ . 1 . 2]" 1
279 2 9 VAL MG2 2 18 ILE H 5.500 . 5.500 4.361 2.592 5.437 . 0 0 "[ . 1 . 2]" 1
280 2 9 VAL MG2 2 19 TRP HA 4.580 . 4.580 3.222 2.804 3.685 . 0 0 "[ . 1 . 2]" 1
281 2 9 VAL MG2 2 19 TRP HD1 4.960 . 4.960 3.290 2.128 4.396 . 0 0 "[ . 1 . 2]" 1
282 2 9 VAL MG2 2 19 TRP HE1 4.950 . 4.950 2.978 2.357 3.860 . 0 0 "[ . 1 . 2]" 1
283 2 9 VAL MG2 2 19 TRP HZ2 4.720 . 4.720 3.671 3.225 4.581 . 0 0 "[ . 1 . 2]" 1
284 2 10 ILE H 2 10 ILE HB 4.010 . 4.010 3.817 3.748 3.893 . 0 0 "[ . 1 . 2]" 1
285 2 10 ILE H 2 10 ILE MD 4.300 . 4.300 3.933 3.799 4.065 . 0 0 "[ . 1 . 2]" 1
286 2 10 ILE H 2 10 ILE HG12 3.690 . 3.690 2.307 2.135 2.464 . 0 0 "[ . 1 . 2]" 1
287 2 10 ILE H 2 10 ILE HG13 3.690 . 3.690 3.044 2.948 3.142 . 0 0 "[ . 1 . 2]" 1
288 2 10 ILE H 2 10 ILE MG 3.660 . 3.660 2.887 2.700 3.095 . 0 0 "[ . 1 . 2]" 1
289 2 10 ILE H 2 11 ARG H 4.470 . 4.470 4.413 4.326 4.484 0.014 19 0 "[ . 1 . 2]" 1
290 2 10 ILE H 2 18 ILE H 3.640 . 3.640 3.004 2.854 3.218 . 0 0 "[ . 1 . 2]" 1
291 2 10 ILE H 2 18 ILE HA 4.960 . 4.960 4.727 4.651 4.813 . 0 0 "[ . 1 . 2]" 1
292 2 10 ILE H 2 18 ILE HB 3.840 . 3.840 3.211 3.024 3.370 . 0 0 "[ . 1 . 2]" 1
293 2 10 ILE H 2 18 ILE MD 5.500 . 5.500 5.516 5.423 5.573 0.073 8 0 "[ . 1 . 2]" 1
294 2 10 ILE H 2 18 ILE MG 4.660 . 4.660 4.056 3.753 4.221 . 0 0 "[ . 1 . 2]" 1
295 2 10 ILE H 2 20 ILE MD 4.530 . 4.530 3.857 2.954 4.549 0.019 8 0 "[ . 1 . 2]" 1
296 2 10 ILE HA 2 10 ILE MD 4.340 . 4.340 4.228 4.217 4.243 . 0 0 "[ . 1 . 2]" 1
297 2 10 ILE HA 2 10 ILE MG 3.140 . 3.140 2.407 2.358 2.446 . 0 0 "[ . 1 . 2]" 1
298 2 10 ILE HA 2 11 ARG H 2.960 . 2.960 2.486 2.374 2.553 . 0 0 "[ . 1 . 2]" 1
299 2 10 ILE HA 2 18 ILE H 5.390 . 5.390 4.665 4.552 4.806 . 0 0 "[ . 1 . 2]" 1
300 2 10 ILE HB 2 10 ILE MD 3.260 . 3.260 2.441 2.414 2.469 . 0 0 "[ . 1 . 2]" 1
301 2 10 ILE HB 2 11 ARG H 3.280 . 3.280 2.339 2.265 2.594 . 0 0 "[ . 1 . 2]" 1
302 2 10 ILE HB 2 18 ILE H 5.500 . 5.500 5.236 5.079 5.390 . 0 0 "[ . 1 . 2]" 1
303 2 10 ILE MD 2 11 ARG H 4.440 . 4.440 4.079 3.973 4.328 . 0 0 "[ . 1 . 2]" 1
304 2 10 ILE MD 2 18 ILE H 5.500 . 5.500 4.933 4.727 5.230 . 0 0 "[ . 1 . 2]" 1
305 2 10 ILE MD 2 18 ILE HB 4.390 . 4.390 3.102 2.739 3.465 . 0 0 "[ . 1 . 2]" 1
306 2 10 ILE MD 2 20 ILE MD 4.780 . 4.780 2.112 1.947 2.469 . 0 0 "[ . 1 . 2]" 1
307 2 10 ILE QG 2 10 ILE MG 3.020 . 3.020 2.353 2.317 2.392 . 0 0 "[ . 1 . 2]" 1
308 2 10 ILE QG 2 11 ARG H 3.930 . 3.930 3.342 3.247 3.520 . 0 0 "[ . 1 . 2]" 1
309 2 10 ILE QG 2 18 ILE H 4.610 . 4.610 3.356 3.185 3.635 . 0 0 "[ . 1 . 2]" 1
310 2 10 ILE HG12 2 18 ILE HB 4.130 . 4.130 2.539 2.227 2.836 . 0 0 "[ . 1 . 2]" 1
311 2 10 ILE HG13 2 18 ILE HB 4.130 . 4.130 2.102 1.958 2.368 . 0 0 "[ . 1 . 2]" 1
312 2 10 ILE MG 2 11 ARG H 3.790 . 3.790 3.714 3.631 3.815 0.025 19 0 "[ . 1 . 2]" 1
313 2 10 ILE MG 2 18 ILE H 5.500 . 5.500 5.175 5.018 5.303 . 0 0 "[ . 1 . 2]" 1
314 2 10 ILE MG 2 18 ILE HB 5.070 . 5.070 4.470 4.243 4.745 . 0 0 "[ . 1 . 2]" 1
315 2 10 ILE MG 2 20 ILE MD 4.600 . 4.600 2.865 2.081 4.053 . 0 0 "[ . 1 . 2]" 1
316 2 11 ARG H 2 11 ARG QB 3.370 . 3.370 2.680 2.377 2.997 . 0 0 "[ . 1 . 2]" 1
317 2 11 ARG H 2 11 ARG QD 4.530 . 4.530 4.191 3.935 4.525 . 0 0 "[ . 1 . 2]" 1
318 2 11 ARG H 2 11 ARG HG2 3.980 . 3.980 3.071 2.116 4.053 0.073 11 0 "[ . 1 . 2]" 1
319 2 11 ARG H 2 11 ARG HG3 3.980 . 3.980 3.100 2.837 3.439 . 0 0 "[ . 1 . 2]" 1
320 2 11 ARG H 2 12 ASP H 4.610 . 4.610 4.427 4.328 4.496 . 0 0 "[ . 1 . 2]" 1
321 2 11 ARG HA 2 11 ARG QD 4.280 . 4.280 4.136 3.873 4.400 0.120 17 0 "[ . 1 . 2]" 1
322 2 11 ARG HA 2 11 ARG HG2 3.860 . 3.860 3.184 2.272 3.882 0.022 15 0 "[ . 1 . 2]" 1
323 2 11 ARG HA 2 11 ARG HG3 3.860 . 3.860 3.383 2.820 3.776 . 0 0 "[ . 1 . 2]" 1
324 2 11 ARG HA 2 12 ASP H 2.960 . 2.960 2.156 1.973 2.293 . 0 0 "[ . 1 . 2]" 1
325 2 11 ARG HA 2 17 GLN HA 3.910 . 3.910 2.839 2.593 3.286 . 0 0 "[ . 1 . 2]" 1
326 2 11 ARG HA 2 18 ILE H 4.100 . 4.100 3.018 2.731 3.395 . 0 0 "[ . 1 . 2]" 1
327 2 11 ARG QB 2 11 ARG QD 3.150 . 3.150 2.129 2.071 2.343 . 0 0 "[ . 1 . 2]" 1
328 2 11 ARG QB 2 12 ASP H 3.480 . 3.480 2.769 2.595 2.923 . 0 0 "[ . 1 . 2]" 1
329 2 11 ARG QB 2 15 GLY H 4.420 . 4.420 3.883 3.367 4.283 . 0 0 "[ . 1 . 2]" 1
330 2 11 ARG QB 2 15 GLY HA2 4.550 . 4.550 2.499 1.984 3.003 . 0 0 "[ . 1 . 2]" 1
331 2 11 ARG QB 2 15 GLY QA 3.680 . 3.680 2.476 1.975 2.964 . 0 0 "[ . 1 . 2]" 1
332 2 11 ARG QB 2 15 GLY HA3 4.550 . 4.550 4.080 3.610 4.561 0.011 13 0 "[ . 1 . 2]" 1
333 2 11 ARG QB 2 16 ASN H 4.480 . 4.480 3.921 3.481 4.512 0.032 4 0 "[ . 1 . 2]" 1
334 2 11 ARG QD 2 15 GLY H 5.260 . 5.260 4.828 4.497 5.263 0.003 4 0 "[ . 1 . 2]" 1
335 2 11 ARG QD 2 15 GLY QA 3.760 . 3.760 2.842 2.324 3.743 . 0 0 "[ . 1 . 2]" 1
336 2 11 ARG QG 2 12 ASP H 4.050 . 4.050 3.763 3.259 4.027 . 0 0 "[ . 1 . 2]" 1
337 2 11 ARG QG 2 15 GLY H 5.060 . 5.060 5.021 4.599 5.152 0.092 11 0 "[ . 1 . 2]" 1
338 2 12 ASP H 2 12 ASP HB2 4.070 . 4.070 3.356 2.477 3.759 . 0 0 "[ . 1 . 2]" 1
339 2 12 ASP H 2 12 ASP QB 3.370 . 3.370 2.417 2.042 2.849 . 0 0 "[ . 1 . 2]" 1
340 2 12 ASP H 2 12 ASP HB3 4.070 . 4.070 2.502 2.095 2.953 . 0 0 "[ . 1 . 2]" 1
341 2 12 ASP H 2 13 GLU H 4.480 . 4.480 4.426 4.344 4.497 0.017 8 0 "[ . 1 . 2]" 1
342 2 12 ASP H 2 15 GLY H 4.060 . 4.060 3.489 3.063 4.066 0.006 3 0 "[ . 1 . 2]" 1
343 2 12 ASP H 2 16 ASN H 3.700 . 3.700 2.856 2.549 3.532 . 0 0 "[ . 1 . 2]" 1
344 2 12 ASP H 2 16 ASN HB2 4.430 . 4.430 3.693 3.526 4.051 . 0 0 "[ . 1 . 2]" 1
345 2 12 ASP H 2 18 ILE MD 4.320 . 4.320 3.920 3.591 4.323 0.003 13 0 "[ . 1 . 2]" 1
346 2 12 ASP H 2 18 ILE HG13 4.880 . 4.880 3.845 3.346 4.512 . 0 0 "[ . 1 . 2]" 1
347 2 12 ASP HA 2 13 GLU H 3.210 . 3.210 2.624 2.322 2.795 . 0 0 "[ . 1 . 2]" 1
348 2 12 ASP HA 2 13 GLU HA 4.530 . 4.530 4.282 4.223 4.326 . 0 0 "[ . 1 . 2]" 1
349 2 12 ASP HA 2 13 GLU QG 4.640 . 4.640 4.402 4.101 4.663 0.023 20 0 "[ . 1 . 2]" 1
350 2 12 ASP HA 2 14 TRP H 4.520 . 4.520 4.474 4.289 4.584 0.064 20 0 "[ . 1 . 2]" 1
351 2 12 ASP HA 2 18 ILE MD 4.720 . 4.720 4.555 3.995 4.744 0.024 11 0 "[ . 1 . 2]" 1
352 2 12 ASP QB 2 13 GLU H 3.040 . 3.040 2.450 1.956 3.216 0.176 10 0 "[ . 1 . 2]" 1
353 2 12 ASP QB 2 14 TRP H 3.960 . 3.960 3.334 2.468 3.576 . 0 0 "[ . 1 . 2]" 1
354 2 12 ASP QB 2 16 ASN H 3.950 . 3.950 3.286 1.948 3.980 0.030 6 0 "[ . 1 . 2]" 1
355 2 12 ASP QB 2 18 ILE MD 3.470 . 3.470 2.444 2.168 2.675 . 0 0 "[ . 1 . 2]" 1
356 2 12 ASP QB 2 18 ILE HG12 3.450 . 3.450 2.470 2.085 2.916 . 0 0 "[ . 1 . 2]" 1
357 2 12 ASP QB 2 18 ILE HG13 4.480 . 4.480 2.273 1.877 2.804 . 0 0 "[ . 1 . 2]" 1
358 2 12 ASP QB 2 18 ILE MG 4.770 . 4.770 4.075 3.624 4.533 . 0 0 "[ . 1 . 2]" 1
359 2 12 ASP HB2 2 13 GLU H 3.690 . 3.690 2.629 1.967 3.701 0.011 11 0 "[ . 1 . 2]" 1
360 2 12 ASP HB2 2 14 TRP H 4.610 . 4.610 3.836 3.185 4.499 . 0 0 "[ . 1 . 2]" 1
361 2 12 ASP HB2 2 15 GLY H 5.010 . 5.010 4.602 4.350 4.958 . 0 0 "[ . 1 . 2]" 1
362 2 12 ASP HB2 2 18 ILE MD 4.230 . 4.230 3.282 2.240 3.907 . 0 0 "[ . 1 . 2]" 1
363 2 12 ASP HB3 2 13 GLU H 3.690 . 3.690 3.540 2.654 3.713 0.023 3 0 "[ . 1 . 2]" 1
364 2 12 ASP HB3 2 14 TRP H 4.610 . 4.610 4.007 2.485 4.471 . 0 0 "[ . 1 . 2]" 1
365 2 12 ASP HB3 2 15 GLY H 5.010 . 5.010 4.101 3.181 4.881 . 0 0 "[ . 1 . 2]" 1
366 2 12 ASP HB3 2 18 ILE MD 4.230 . 4.230 2.817 2.192 3.580 . 0 0 "[ . 1 . 2]" 1
367 2 13 GLU H 2 13 GLU HB2 3.600 . 3.600 3.584 3.536 3.657 0.057 10 0 "[ . 1 . 2]" 1
368 2 13 GLU H 2 13 GLU HB3 3.600 . 3.600 2.592 2.475 2.757 . 0 0 "[ . 1 . 2]" 1
369 2 13 GLU H 2 13 GLU QG 3.480 . 3.480 2.012 1.824 2.166 . 0 0 "[ . 1 . 2]" 1
370 2 13 GLU H 2 14 TRP H 3.560 . 3.560 2.680 2.518 2.833 . 0 0 "[ . 1 . 2]" 1
371 2 13 GLU H 2 15 GLY H 4.440 . 4.440 3.997 3.775 4.154 . 0 0 "[ . 1 . 2]" 1
372 2 13 GLU HA 2 13 GLU QG 3.730 . 3.730 3.338 3.316 3.364 . 0 0 "[ . 1 . 2]" 1
373 2 13 GLU HA 2 15 GLY H 4.400 . 4.400 4.015 3.510 4.434 0.034 20 0 "[ . 1 . 2]" 1
374 2 13 GLU QB 2 14 TRP H 3.720 . 3.720 3.588 3.526 3.732 0.012 7 0 "[ . 1 . 2]" 1
375 2 13 GLU QB 2 15 GLY H 5.340 . 5.340 4.920 4.590 5.178 . 0 0 "[ . 1 . 2]" 1
376 2 13 GLU HB2 2 14 TRP H 4.270 . 4.270 3.934 3.843 4.123 . 0 0 "[ . 1 . 2]" 1
377 2 13 GLU HB3 2 14 TRP H 4.270 . 4.270 4.140 4.023 4.263 . 0 0 "[ . 1 . 2]" 1
378 2 13 GLU QG 2 14 TRP H 3.620 . 3.620 2.429 2.284 2.742 . 0 0 "[ . 1 . 2]" 1
379 2 13 GLU QG 2 14 TRP HE1 4.310 . 4.310 3.498 3.018 4.102 . 0 0 "[ . 1 . 2]" 1
380 2 13 GLU QG 2 14 TRP HE3 4.610 . 4.610 4.049 3.461 4.583 . 0 0 "[ . 1 . 2]" 1
381 2 13 GLU QG 2 14 TRP HZ2 4.540 . 4.540 4.261 3.922 4.555 0.015 8 0 "[ . 1 . 2]" 1
382 2 13 GLU QG 2 15 GLY H 4.400 . 4.400 4.361 4.231 4.444 0.044 17 0 "[ . 1 . 2]" 1
383 2 14 TRP H 2 14 TRP HB2 3.410 . 3.410 2.501 2.436 2.615 . 0 0 "[ . 1 . 2]" 1
384 2 14 TRP H 2 14 TRP HB3 3.710 . 3.710 3.618 3.548 3.670 . 0 0 "[ . 1 . 2]" 1
385 2 14 TRP H 2 14 TRP HD1 3.930 . 3.930 3.811 3.353 4.046 0.116 2 0 "[ . 1 . 2]" 1
386 2 14 TRP H 2 14 TRP HE3 4.040 . 4.040 3.833 3.395 4.202 0.162 6 0 "[ . 1 . 2]" 1
387 2 14 TRP H 2 15 GLY H 2.900 . 2.900 2.358 2.021 2.536 . 0 0 "[ . 1 . 2]" 1
388 2 14 TRP H 2 15 GLY QA 4.750 . 4.750 4.299 4.057 4.441 . 0 0 "[ . 1 . 2]" 1
389 2 14 TRP H 2 16 ASN H 3.790 . 3.790 3.620 3.242 3.854 0.064 15 0 "[ . 1 . 2]" 1
390 2 14 TRP HA 2 14 TRP HD1 4.900 . 4.900 3.194 2.256 4.763 . 0 0 "[ . 1 . 2]" 1
391 2 14 TRP HA 2 14 TRP HE3 5.000 . 5.000 3.955 1.887 5.075 0.075 18 0 "[ . 1 . 2]" 1
392 2 14 TRP HB2 2 14 TRP HD1 3.700 . 3.700 3.351 2.536 3.796 0.096 8 0 "[ . 1 . 2]" 1
393 2 14 TRP HB2 2 15 GLY H 4.360 . 4.360 3.175 2.597 3.658 . 0 0 "[ . 1 . 2]" 1
394 2 14 TRP HB2 2 16 ASN H 3.920 . 3.920 3.335 2.526 3.835 . 0 0 "[ . 1 . 2]" 1
395 2 14 TRP HB2 2 16 ASN HD21 4.260 . 4.260 2.167 1.968 2.889 . 0 0 "[ . 1 . 2]" 1
396 2 14 TRP HB2 2 16 ASN QD 3.730 . 3.730 1.924 1.774 2.769 . 0 0 "[ . 1 . 2]" 1
397 2 14 TRP HB2 2 16 ASN HD22 4.260 . 4.260 2.175 1.920 3.549 . 0 0 "[ . 1 . 2]" 1
398 2 14 TRP HB3 2 14 TRP HD1 3.690 . 3.690 3.155 2.861 3.533 . 0 0 "[ . 1 . 2]" 1
399 2 14 TRP HB3 2 14 TRP HE3 3.780 . 3.780 3.443 2.966 3.785 0.005 11 0 "[ . 1 . 2]" 1
400 2 14 TRP HB3 2 15 GLY H 4.420 . 4.420 4.091 3.705 4.363 . 0 0 "[ . 1 . 2]" 1
401 2 14 TRP HB3 2 16 ASN H 5.160 . 5.160 4.575 3.673 5.074 . 0 0 "[ . 1 . 2]" 1
402 2 14 TRP HB3 2 16 ASN QD 4.500 . 4.500 2.888 2.586 3.156 . 0 0 "[ . 1 . 2]" 1
403 2 14 TRP HD1 2 15 GLY H 5.500 . 5.500 5.255 4.695 5.528 0.028 11 0 "[ . 1 . 2]" 1
404 2 14 TRP HE3 2 15 GLY H 5.260 . 5.260 5.099 4.607 5.303 0.043 8 0 "[ . 1 . 2]" 1
405 2 15 GLY H 2 16 ASN H 3.220 . 3.220 2.175 1.908 2.585 . 0 0 "[ . 1 . 2]" 1
406 2 15 GLY H 2 16 ASN HB2 5.500 . 5.500 4.455 4.131 5.005 . 0 0 "[ . 1 . 2]" 1
407 2 16 ASN H 2 16 ASN HB2 3.220 . 3.220 2.536 2.438 2.597 . 0 0 "[ . 1 . 2]" 1
408 2 16 ASN H 2 16 ASN HB3 4.210 . 4.210 3.660 3.624 3.715 . 0 0 "[ . 1 . 2]" 1
409 2 16 ASN H 2 16 ASN QD 4.120 . 4.120 2.441 2.208 3.647 . 0 0 "[ . 1 . 2]" 1
410 2 16 ASN H 2 17 GLN H 4.630 . 4.630 4.533 4.475 4.593 . 0 0 "[ . 1 . 2]" 1
411 2 16 ASN HA 2 17 GLN H 2.930 . 2.930 2.314 2.167 2.568 . 0 0 "[ . 1 . 2]" 1
412 2 16 ASN HB2 2 16 ASN HD21 3.600 . 3.600 2.213 2.121 2.273 . 0 0 "[ . 1 . 2]" 1
413 2 16 ASN HB2 2 16 ASN HD22 3.600 . 3.600 3.455 3.420 3.480 . 0 0 "[ . 1 . 2]" 1
414 2 16 ASN HB2 2 17 GLN H 4.090 . 4.090 3.721 3.298 3.973 . 0 0 "[ . 1 . 2]" 1
415 2 16 ASN HB2 2 18 ILE MD 4.260 . 4.260 2.803 2.309 3.353 . 0 0 "[ . 1 . 2]" 1
416 2 16 ASN HB3 2 17 GLN H 3.670 . 3.670 2.662 2.091 2.902 . 0 0 "[ . 1 . 2]" 1
417 2 17 GLN H 2 17 GLN HB2 3.510 . 3.510 2.387 2.315 2.456 . 0 0 "[ . 1 . 2]" 1
418 2 17 GLN H 2 17 GLN HB3 3.660 . 3.660 3.595 3.558 3.645 . 0 0 "[ . 1 . 2]" 1
419 2 17 GLN H 2 17 GLN HG2 4.230 . 4.230 3.833 3.625 4.087 . 0 0 "[ . 1 . 2]" 1
420 2 17 GLN H 2 17 GLN HG3 3.970 . 3.970 2.703 2.396 2.981 . 0 0 "[ . 1 . 2]" 1
421 2 17 GLN H 2 18 ILE MD 5.500 . 5.500 4.339 4.008 4.649 . 0 0 "[ . 1 . 2]" 1
422 2 17 GLN HA 2 17 GLN HG2 4.210 . 4.210 2.479 2.411 2.565 . 0 0 "[ . 1 . 2]" 1
423 2 17 GLN HA 2 17 GLN HG3 3.900 . 3.900 2.929 2.783 3.043 . 0 0 "[ . 1 . 2]" 1
424 2 17 GLN HA 2 18 ILE H 2.950 . 2.950 2.038 2.001 2.083 . 0 0 "[ . 1 . 2]" 1
425 2 17 GLN HA 2 18 ILE HG12 4.210 . 4.210 3.750 3.574 3.895 . 0 0 "[ . 1 . 2]" 1
426 2 17 GLN HB2 2 17 GLN HE21 4.440 . 4.440 3.631 2.523 4.393 . 0 0 "[ . 1 . 2]" 1
427 2 17 GLN HB2 2 17 GLN HE22 4.930 . 4.930 4.215 3.700 4.601 . 0 0 "[ . 1 . 2]" 1
428 2 17 GLN HB2 2 19 TRP HH2 4.160 . 4.160 3.016 2.701 3.377 . 0 0 "[ . 1 . 2]" 1
429 2 17 GLN HB2 2 19 TRP HZ3 4.100 . 4.100 2.794 2.375 3.459 . 0 0 "[ . 1 . 2]" 1
430 2 17 GLN HB3 2 17 GLN HE21 4.070 . 4.070 2.715 1.829 3.941 . 0 0 "[ . 1 . 2]" 1
431 2 17 GLN HB3 2 18 ILE H 4.130 . 4.130 3.350 3.186 3.534 . 0 0 "[ . 1 . 2]" 1
432 2 17 GLN HB3 2 19 TRP HE3 4.640 . 4.640 4.043 3.702 4.534 . 0 0 "[ . 1 . 2]" 1
433 2 17 GLN HB3 2 19 TRP HH2 4.150 . 4.150 3.548 3.195 3.804 . 0 0 "[ . 1 . 2]" 1
434 2 17 GLN HB3 2 19 TRP HZ3 4.040 . 4.040 3.444 2.798 4.061 0.021 5 0 "[ . 1 . 2]" 1
435 2 17 GLN HE21 2 19 TRP HE1 5.500 . 5.500 5.195 4.625 5.556 0.056 1 0 "[ . 1 . 2]" 1
436 2 17 GLN HG2 2 18 ILE H 4.110 . 4.110 4.141 4.045 4.191 0.081 20 0 "[ . 1 . 2]" 1
437 2 17 GLN HG2 2 19 TRP HH2 5.500 . 5.500 5.114 4.663 5.487 . 0 0 "[ . 1 . 2]" 1
438 2 17 GLN HG3 2 18 ILE H 5.040 . 5.040 4.890 4.760 5.001 . 0 0 "[ . 1 . 2]" 1
439 2 17 GLN HG3 2 19 TRP HH2 5.250 . 5.250 4.850 4.519 5.264 0.014 15 0 "[ . 1 . 2]" 1
440 2 18 ILE H 2 18 ILE HB 3.460 . 3.460 2.571 2.442 2.643 . 0 0 "[ . 1 . 2]" 1
441 2 18 ILE H 2 18 ILE MD 4.730 . 4.730 3.531 3.335 3.680 . 0 0 "[ . 1 . 2]" 1
442 2 18 ILE H 2 18 ILE HG12 3.830 . 3.830 2.681 2.535 2.834 . 0 0 "[ . 1 . 2]" 1
443 2 18 ILE H 2 18 ILE HG13 4.120 . 4.120 4.037 3.894 4.130 0.010 3 0 "[ . 1 . 2]" 1
444 2 18 ILE H 2 18 ILE MG 4.060 . 4.060 3.816 3.751 3.859 . 0 0 "[ . 1 . 2]" 1
445 2 18 ILE H 2 19 TRP H 4.590 . 4.590 4.219 4.069 4.345 . 0 0 "[ . 1 . 2]" 1
446 2 18 ILE H 2 19 TRP HE3 5.350 . 5.350 4.830 4.561 5.065 . 0 0 "[ . 1 . 2]" 1
447 2 18 ILE HA 2 18 ILE MD 3.980 . 3.980 2.132 2.040 2.254 . 0 0 "[ . 1 . 2]" 1
448 2 18 ILE HA 2 18 ILE HG13 3.920 . 3.920 3.791 3.721 3.835 . 0 0 "[ . 1 . 2]" 1
449 2 18 ILE HA 2 18 ILE MG 3.450 . 3.450 2.407 2.348 2.461 . 0 0 "[ . 1 . 2]" 1
450 2 18 ILE HA 2 19 TRP H 2.990 . 2.990 2.125 2.090 2.179 . 0 0 "[ . 1 . 2]" 1
451 2 18 ILE HA 2 19 TRP HE3 3.690 . 3.690 3.156 2.874 3.406 . 0 0 "[ . 1 . 2]" 1
452 2 18 ILE HB 2 18 ILE MD 3.510 . 3.510 3.246 3.229 3.262 . 0 0 "[ . 1 . 2]" 1
453 2 18 ILE HB 2 19 TRP H 4.530 . 4.530 4.191 4.033 4.309 . 0 0 "[ . 1 . 2]" 1
454 2 18 ILE HB 2 20 ILE MD 4.340 . 4.340 3.750 3.321 4.235 . 0 0 "[ . 1 . 2]" 1
455 2 18 ILE MD 2 18 ILE MG 3.270 . 3.270 2.051 2.009 2.118 . 0 0 "[ . 1 . 2]" 1
456 2 18 ILE MD 2 19 TRP H 4.340 . 4.340 3.839 3.708 4.072 . 0 0 "[ . 1 . 2]" 1
457 2 18 ILE HG12 2 18 ILE MG 3.360 . 3.360 3.210 3.199 3.235 . 0 0 "[ . 1 . 2]" 1
458 2 18 ILE HG12 2 19 TRP H 5.500 . 5.500 5.174 5.102 5.292 . 0 0 "[ . 1 . 2]" 1
459 2 18 ILE HG13 2 18 ILE MG 3.390 . 3.390 2.333 2.262 2.365 . 0 0 "[ . 1 . 2]" 1
460 2 18 ILE MG 2 19 TRP H 3.640 . 3.640 2.882 2.556 3.170 . 0 0 "[ . 1 . 2]" 1
461 2 18 ILE MG 2 19 TRP HB2 5.040 . 5.040 4.538 4.353 4.798 . 0 0 "[ . 1 . 2]" 1
462 2 18 ILE MG 2 19 TRP HE3 5.370 . 5.370 4.623 4.263 4.862 . 0 0 "[ . 1 . 2]" 1
463 2 18 ILE MG 2 20 ILE H 4.500 . 4.500 4.400 3.854 4.566 0.066 1 0 "[ . 1 . 2]" 1
464 2 18 ILE MG 2 20 ILE HA 4.290 . 4.290 4.033 3.673 4.300 0.010 20 0 "[ . 1 . 2]" 1
465 2 18 ILE MG 2 20 ILE MD 3.560 . 3.560 2.593 2.277 2.947 . 0 0 "[ . 1 . 2]" 1
466 2 18 ILE MG 2 27 PRO HA 4.430 . 4.430 3.123 2.850 3.443 . 0 0 "[ . 1 . 2]" 1
467 2 18 ILE MG 2 27 PRO HB2 3.730 . 3.730 2.261 2.006 2.634 . 0 0 "[ . 1 . 2]" 1
468 2 18 ILE MG 2 27 PRO HB3 3.730 . 3.730 2.590 2.209 3.049 . 0 0 "[ . 1 . 2]" 1
469 2 18 ILE MG 2 27 PRO QG 3.910 . 3.910 3.555 3.344 3.923 0.013 1 0 "[ . 1 . 2]" 1
470 2 18 ILE MG 2 28 ASP H 4.050 . 4.050 2.365 2.092 2.784 . 0 0 "[ . 1 . 2]" 1
471 2 18 ILE MG 2 28 ASP HB2 4.650 . 4.650 4.112 3.585 4.682 0.032 8 0 "[ . 1 . 2]" 1
472 2 18 ILE MG 2 28 ASP QB 3.920 . 3.920 2.978 2.285 3.944 0.024 6 0 "[ . 1 . 2]" 1
473 2 18 ILE MG 2 28 ASP HB3 4.650 . 4.650 3.082 2.312 4.260 . 0 0 "[ . 1 . 2]" 1
474 2 19 TRP H 2 19 TRP HB2 3.510 . 3.510 2.327 2.268 2.409 . 0 0 "[ . 1 . 2]" 1
475 2 19 TRP H 2 19 TRP HB3 3.660 . 3.660 3.569 3.525 3.624 . 0 0 "[ . 1 . 2]" 1
476 2 19 TRP H 2 19 TRP HD1 5.230 . 5.230 5.219 5.112 5.301 0.071 13 0 "[ . 1 . 2]" 1
477 2 19 TRP H 2 19 TRP HE3 3.400 . 3.400 2.317 2.075 2.535 . 0 0 "[ . 1 . 2]" 1
478 2 19 TRP H 2 19 TRP HZ3 4.840 . 4.840 4.580 4.332 4.814 . 0 0 "[ . 1 . 2]" 1
479 2 19 TRP H 2 20 ILE H 4.610 . 4.610 4.413 4.212 4.496 . 0 0 "[ . 1 . 2]" 1
480 2 19 TRP H 2 20 ILE MD 4.940 . 4.940 4.647 4.097 4.939 . 0 0 "[ . 1 . 2]" 1
481 2 19 TRP H 2 28 ASP H 4.740 . 4.740 3.617 3.028 4.190 . 0 0 "[ . 1 . 2]" 1
482 2 19 TRP H 2 28 ASP QB 4.980 . 4.980 2.957 2.050 3.849 . 0 0 "[ . 1 . 2]" 1
483 2 19 TRP H 2 33 MET ME 5.500 . 5.500 4.414 3.785 4.822 . 0 0 "[ . 1 . 2]" 1
484 2 19 TRP HA 2 20 ILE H 3.210 . 3.210 2.102 2.022 2.214 . 0 0 "[ . 1 . 2]" 1
485 2 19 TRP HB2 2 19 TRP HE3 3.760 . 3.760 2.717 2.636 2.811 . 0 0 "[ . 1 . 2]" 1
486 2 19 TRP HB2 2 20 ILE H 4.590 . 4.590 4.162 3.887 4.430 . 0 0 "[ . 1 . 2]" 1
487 2 19 TRP HB3 2 19 TRP HD1 3.710 . 3.710 2.575 2.515 2.619 . 0 0 "[ . 1 . 2]" 1
488 2 19 TRP HB3 2 20 ILE H 4.230 . 4.230 3.082 2.638 3.606 . 0 0 "[ . 1 . 2]" 1
489 2 19 TRP HB3 2 33 MET ME 3.760 . 3.760 2.881 2.293 3.346 . 0 0 "[ . 1 . 2]" 1
490 2 19 TRP HD1 2 20 ILE H 4.860 . 4.860 4.045 3.646 4.518 . 0 0 "[ . 1 . 2]" 1
491 2 19 TRP HD1 2 41 ASP HA 5.070 . 5.070 4.116 3.363 4.859 . 0 0 "[ . 1 . 2]" 1
492 2 19 TRP HD1 2 42 TRP H 4.250 . 4.250 3.301 2.512 4.073 . 0 0 "[ . 1 . 2]" 1
493 2 19 TRP HD1 2 42 TRP HB2 4.380 . 4.380 3.004 2.630 3.376 . 0 0 "[ . 1 . 2]" 1
494 2 19 TRP HD1 2 42 TRP HD1 3.640 . 3.640 2.777 2.466 3.357 . 0 0 "[ . 1 . 2]" 1
495 2 19 TRP HE1 2 42 TRP HD1 3.660 . 3.660 2.756 2.407 3.052 . 0 0 "[ . 1 . 2]" 1
496 2 19 TRP HE1 2 42 TRP HE1 5.070 . 5.070 3.940 3.479 4.495 . 0 0 "[ . 1 . 2]" 1
497 2 19 TRP HE3 2 33 MET ME 5.500 . 5.500 5.074 4.271 5.519 0.019 15 0 "[ . 1 . 2]" 1
498 2 20 ILE H 2 20 ILE HB 3.410 . 3.410 2.496 2.336 2.706 . 0 0 "[ . 1 . 2]" 1
499 2 20 ILE H 2 20 ILE MD 3.820 . 3.820 3.182 2.437 3.622 . 0 0 "[ . 1 . 2]" 1
500 2 20 ILE H 2 20 ILE HG12 4.370 . 4.370 2.894 2.270 4.251 . 0 0 "[ . 1 . 2]" 1
501 2 20 ILE H 2 20 ILE QG 3.630 . 3.630 2.738 2.250 3.690 0.060 17 0 "[ . 1 . 2]" 1
502 2 20 ILE H 2 20 ILE HG13 4.370 . 4.370 3.894 3.680 4.065 . 0 0 "[ . 1 . 2]" 1
503 2 20 ILE H 2 20 ILE MG 4.260 . 4.260 3.765 3.614 3.853 . 0 0 "[ . 1 . 2]" 1
504 2 20 ILE H 2 21 CYS H 4.620 . 4.620 4.381 4.300 4.461 . 0 0 "[ . 1 . 2]" 1
505 2 20 ILE H 2 27 PRO HA 4.830 . 4.830 4.373 4.068 4.698 . 0 0 "[ . 1 . 2]" 1
506 2 20 ILE HA 2 20 ILE MD 3.530 . 3.530 2.353 2.136 2.839 . 0 0 "[ . 1 . 2]" 1
507 2 20 ILE HA 2 20 ILE MG 3.410 . 3.410 2.458 2.353 2.643 . 0 0 "[ . 1 . 2]" 1
508 2 20 ILE HA 2 21 CYS H 3.210 . 3.210 2.157 2.052 2.220 . 0 0 "[ . 1 . 2]" 1
509 2 20 ILE HA 2 27 PRO HA 3.440 . 3.440 1.978 1.792 2.266 . 0 0 "[ . 1 . 2]" 1
510 2 20 ILE HA 2 27 PRO QB 4.120 . 4.120 3.640 3.470 3.800 . 0 0 "[ . 1 . 2]" 1
511 2 20 ILE HA 2 28 ASP H 4.240 . 4.240 3.612 3.169 4.121 . 0 0 "[ . 1 . 2]" 1
512 2 20 ILE HB 2 20 ILE MD 3.660 . 3.660 3.054 2.444 3.266 . 0 0 "[ . 1 . 2]" 1
513 2 20 ILE HB 2 21 CYS H 4.910 . 4.910 4.168 3.951 4.330 . 0 0 "[ . 1 . 2]" 1
514 2 20 ILE MD 2 27 PRO HA 3.360 . 3.360 2.212 1.968 2.784 . 0 0 "[ . 1 . 2]" 1
515 2 20 ILE MD 2 27 PRO HB2 3.990 . 3.990 3.289 3.033 3.537 . 0 0 "[ . 1 . 2]" 1
516 2 20 ILE MD 2 27 PRO QB 3.340 . 3.340 2.044 1.935 2.192 . 0 0 "[ . 1 . 2]" 1
517 2 20 ILE MD 2 27 PRO HB3 3.990 . 3.990 2.065 1.955 2.213 . 0 0 "[ . 1 . 2]" 1
518 2 20 ILE MD 2 27 PRO HD2 5.420 . 5.420 4.476 4.002 5.132 . 0 0 "[ . 1 . 2]" 1
519 2 20 ILE MD 2 27 PRO HD3 4.520 . 4.520 3.260 2.709 3.991 . 0 0 "[ . 1 . 2]" 1
520 2 20 ILE MD 2 27 PRO QG 3.460 . 3.460 3.458 3.245 3.523 0.063 9 0 "[ . 1 . 2]" 1
521 2 20 ILE MD 2 28 ASP H 4.010 . 4.010 3.547 3.171 3.958 . 0 0 "[ . 1 . 2]" 1
522 2 20 ILE QG 2 20 ILE MG 2.990 . 2.990 2.234 2.053 2.302 . 0 0 "[ . 1 . 2]" 1
523 2 20 ILE QG 2 27 PRO HA 4.260 . 4.260 3.544 2.219 4.049 . 0 0 "[ . 1 . 2]" 1
524 2 20 ILE HG12 2 20 ILE MG 3.630 . 3.630 2.972 2.235 3.218 . 0 0 "[ . 1 . 2]" 1
525 2 20 ILE HG12 2 27 PRO HA 4.870 . 4.870 4.162 3.925 4.337 . 0 0 "[ . 1 . 2]" 1
526 2 20 ILE HG13 2 20 ILE MG 3.630 . 3.630 2.357 2.306 2.439 . 0 0 "[ . 1 . 2]" 1
527 2 20 ILE HG13 2 27 PRO HA 4.870 . 4.870 4.180 2.231 4.899 0.029 6 0 "[ . 1 . 2]" 1
528 2 20 ILE MG 2 21 CYS H 3.290 . 3.290 2.756 2.592 3.115 . 0 0 "[ . 1 . 2]" 1
529 2 20 ILE MG 2 21 CYS HA 4.720 . 4.720 4.116 3.924 4.313 . 0 0 "[ . 1 . 2]" 1
530 2 20 ILE MG 2 21 CYS HB3 4.660 . 4.660 4.016 3.818 4.311 . 0 0 "[ . 1 . 2]" 1
531 2 20 ILE MG 2 22 PRO HA 4.280 . 4.280 3.677 3.279 4.131 . 0 0 "[ . 1 . 2]" 1
532 2 20 ILE MG 2 24 CYS H 5.450 . 5.450 4.996 4.549 5.306 . 0 0 "[ . 1 . 2]" 1
533 2 20 ILE MG 2 25 ASN H 4.520 . 4.520 3.661 3.358 3.947 . 0 0 "[ . 1 . 2]" 1
534 2 20 ILE MG 2 25 ASN HA 3.190 . 3.190 2.280 2.038 2.752 . 0 0 "[ . 1 . 2]" 1
535 2 20 ILE MG 2 25 ASN HB2 5.130 . 5.130 4.276 3.871 4.727 . 0 0 "[ . 1 . 2]" 1
536 2 20 ILE MG 2 25 ASN QB 4.280 . 4.280 3.559 2.805 4.280 . 0 0 "[ . 1 . 2]" 1
537 2 20 ILE MG 2 25 ASN HB3 5.130 . 5.130 3.934 2.863 4.947 . 0 0 "[ . 1 . 2]" 1
538 2 20 ILE MG 2 25 ASN QD 5.340 . 5.340 3.877 2.358 5.019 . 0 0 "[ . 1 . 2]" 1
539 2 20 ILE MG 2 26 LYS H 3.760 . 3.760 3.336 2.519 3.772 0.012 10 0 "[ . 1 . 2]" 1
540 2 20 ILE MG 2 26 LYS HA 4.380 . 4.380 3.557 3.294 3.866 . 0 0 "[ . 1 . 2]" 1
541 2 20 ILE MG 2 26 LYS QB 4.840 . 4.840 4.449 4.075 4.698 . 0 0 "[ . 1 . 2]" 1
542 2 20 ILE MG 2 27 PRO HA 3.960 . 3.960 3.355 2.594 3.780 . 0 0 "[ . 1 . 2]" 1
543 2 20 ILE MG 2 27 PRO HD2 4.940 . 4.940 4.761 4.319 4.963 0.023 3 0 "[ . 1 . 2]" 1
544 2 20 ILE MG 2 27 PRO HD3 4.380 . 4.380 3.732 3.253 3.962 . 0 0 "[ . 1 . 2]" 1
545 2 20 ILE MG 2 44 HIS HE1 5.500 . 5.500 5.111 4.882 5.389 . 0 0 "[ . 1 . 2]" 1
546 2 21 CYS H 2 21 CYS HB2 3.310 . 3.310 2.588 2.516 2.691 . 0 0 "[ . 1 . 2]" 1
547 2 21 CYS H 2 21 CYS HB3 3.350 . 3.350 2.362 2.304 2.417 . 0 0 "[ . 1 . 2]" 1
548 2 21 CYS H 2 26 LYS H 4.270 . 4.270 3.555 2.640 3.873 . 0 0 "[ . 1 . 2]" 1
549 2 21 CYS H 2 27 PRO HA 3.810 . 3.810 3.307 3.128 3.475 . 0 0 "[ . 1 . 2]" 1
550 2 21 CYS H 2 33 MET ME 4.260 . 4.260 3.678 3.462 3.996 . 0 0 "[ . 1 . 2]" 1
551 2 21 CYS H 2 44 HIS HE1 3.940 . 3.940 3.462 3.224 3.833 . 0 0 "[ . 1 . 2]" 1
552 2 21 CYS HA 2 22 PRO QB 4.860 . 4.860 4.721 4.679 4.767 . 0 0 "[ . 1 . 2]" 1
553 2 21 CYS HA 2 22 PRO HD2 3.630 . 3.630 2.651 2.568 2.735 . 0 0 "[ . 1 . 2]" 1
554 2 21 CYS HA 2 22 PRO HD3 3.630 . 3.630 1.964 1.927 1.996 . 0 0 "[ . 1 . 2]" 1
555 2 21 CYS HA 2 22 PRO HG2 4.600 . 4.600 4.454 4.403 4.492 . 0 0 "[ . 1 . 2]" 1
556 2 21 CYS HA 2 22 PRO HG3 4.470 . 4.470 4.125 4.065 4.181 . 0 0 "[ . 1 . 2]" 1
557 2 21 CYS HA 2 23 GLY H 4.620 . 4.620 3.494 3.424 3.600 . 0 0 "[ . 1 . 2]" 1
558 2 21 CYS HA 2 33 MET ME 4.410 . 4.410 3.337 3.030 3.802 . 0 0 "[ . 1 . 2]" 1
559 2 21 CYS HA 2 43 TYR HA 4.140 . 4.140 2.626 2.321 2.926 . 0 0 "[ . 1 . 2]" 1
560 2 21 CYS HB2 2 24 CYS H 5.020 . 5.020 4.478 4.289 4.642 . 0 0 "[ . 1 . 2]" 1
561 2 21 CYS HB2 2 33 MET ME 3.490 . 3.490 2.693 2.384 3.037 . 0 0 "[ . 1 . 2]" 1
562 2 21 CYS HB2 2 43 TYR HA 4.380 . 4.380 3.191 3.001 3.621 . 0 0 "[ . 1 . 2]" 1
563 2 21 CYS HB2 2 44 HIS H 3.890 . 3.890 2.826 2.576 3.034 . 0 0 "[ . 1 . 2]" 1
564 2 21 CYS HB2 2 44 HIS HE1 3.760 . 3.760 3.104 2.791 3.472 . 0 0 "[ . 1 . 2]" 1
565 2 21 CYS HB2 2 44 HIS HE2 5.130 . 5.130 4.181 3.665 4.753 . 0 0 "[ . 1 . 2]" 1
566 2 21 CYS HB3 2 24 CYS H 4.360 . 4.360 3.045 2.863 3.238 . 0 0 "[ . 1 . 2]" 1
567 2 21 CYS HB3 2 25 ASN H 4.800 . 4.800 3.312 3.076 3.623 . 0 0 "[ . 1 . 2]" 1
568 2 21 CYS HB3 2 26 LYS H 4.030 . 4.030 2.931 2.561 3.153 . 0 0 "[ . 1 . 2]" 1
569 2 21 CYS HB3 2 33 MET ME 4.390 . 4.390 4.117 3.850 4.415 0.025 7 0 "[ . 1 . 2]" 1
570 2 21 CYS HB3 2 43 TYR HA 4.930 . 4.930 4.290 4.108 4.594 . 0 0 "[ . 1 . 2]" 1
571 2 21 CYS HB3 2 44 HIS H 4.360 . 4.360 3.822 3.686 3.988 . 0 0 "[ . 1 . 2]" 1
572 2 21 CYS HB3 2 44 HIS HE1 3.690 . 3.690 3.094 2.936 3.269 . 0 0 "[ . 1 . 2]" 1
573 2 21 CYS SG 2 24 CYS SG 4.000 4.000 4.000 3.717 3.670 3.759 0.330 3 0 "[ . 1 . 2]" 1
574 2 21 CYS SG 2 44 HIS ND1 3.800 3.800 3.800 3.553 3.508 3.607 0.292 8 0 "[ . 1 . 2]" 1
575 2 21 CYS SG 2 47 CYS SG 4.000 4.000 4.000 3.783 3.738 3.867 0.262 10 0 "[ . 1 . 2]" 1
576 2 22 PRO HA 2 24 CYS H 4.710 . 4.710 4.544 3.989 4.760 0.050 2 0 "[ . 1 . 2]" 1
577 2 22 PRO HA 2 25 ASN H 4.140 . 4.140 3.753 3.453 4.009 . 0 0 "[ . 1 . 2]" 1
578 2 22 PRO QB 2 23 GLY H 4.000 . 4.000 3.437 3.225 3.621 . 0 0 "[ . 1 . 2]" 1
579 2 22 PRO QB 2 43 TYR QE 5.340 . 5.340 2.562 2.195 3.188 . 0 0 "[ . 1 . 2]" 1
580 2 22 PRO QD 2 23 GLY H 3.800 . 3.800 2.785 2.601 2.940 . 0 0 "[ . 1 . 2]" 1
581 2 22 PRO QD 2 25 ASN H 5.270 . 5.270 5.107 5.043 5.188 . 0 0 "[ . 1 . 2]" 1
582 2 22 PRO QD 2 43 TYR HA 4.460 . 4.460 2.664 2.211 2.974 . 0 0 "[ . 1 . 2]" 1
583 2 22 PRO QD 2 43 TYR QE 4.670 . 4.670 3.256 2.691 3.623 . 0 0 "[ . 1 . 2]" 1
584 2 22 PRO HD2 2 23 GLY H 4.350 . 4.350 2.859 2.657 3.033 . 0 0 "[ . 1 . 2]" 1
585 2 22 PRO HD3 2 23 GLY H 4.350 . 4.350 3.843 3.711 3.946 . 0 0 "[ . 1 . 2]" 1
586 2 22 PRO HG2 2 43 TYR QE 4.440 . 4.440 3.076 2.438 3.381 . 0 0 "[ . 1 . 2]" 1
587 2 22 PRO HG3 2 41 ASP HB2 5.500 . 5.500 4.811 3.780 5.538 0.038 9 0 "[ . 1 . 2]" 1
588 2 22 PRO HG3 2 41 ASP HB3 5.500 . 5.500 4.108 2.605 5.542 0.042 4 0 "[ . 1 . 2]" 1
589 2 22 PRO HG3 2 43 TYR QE 4.950 . 4.950 4.486 3.989 4.688 . 0 0 "[ . 1 . 2]" 1
590 2 23 GLY H 2 24 CYS H 3.400 . 3.400 2.523 2.249 2.718 . 0 0 "[ . 1 . 2]" 1
591 2 23 GLY H 2 25 ASN H 4.260 . 4.260 3.395 3.147 3.592 . 0 0 "[ . 1 . 2]" 1
592 2 23 GLY HA2 2 47 CYS HB3 5.480 . 5.480 4.158 3.671 5.136 . 0 0 "[ . 1 . 2]" 1
593 2 23 GLY HA3 2 25 ASN H 4.580 . 4.580 4.402 4.211 4.607 0.027 9 0 "[ . 1 . 2]" 1
594 2 23 GLY HA3 2 47 CYS HB2 5.220 . 5.220 3.742 3.261 4.597 . 0 0 "[ . 1 . 2]" 1
595 2 23 GLY HA3 2 47 CYS HB3 4.500 . 4.500 2.577 2.194 3.460 . 0 0 "[ . 1 . 2]" 1
596 2 24 CYS H 2 24 CYS HB2 3.950 . 3.950 3.542 3.337 3.688 . 0 0 "[ . 1 . 2]" 1
597 2 24 CYS H 2 24 CYS HB3 3.950 . 3.950 2.941 2.836 3.111 . 0 0 "[ . 1 . 2]" 1
598 2 24 CYS H 2 25 ASN H 3.040 . 3.040 1.960 1.753 2.054 . 0 0 "[ . 1 . 2]" 1
599 2 24 CYS H 2 25 ASN HA 4.210 . 4.210 4.118 3.886 4.214 0.004 3 0 "[ . 1 . 2]" 1
600 2 24 CYS H 2 26 LYS H 4.050 . 4.050 3.410 3.204 4.046 . 0 0 "[ . 1 . 2]" 1
601 2 24 CYS H 2 26 LYS QD 5.500 . 5.500 5.401 4.527 5.601 0.101 6 0 "[ . 1 . 2]" 1
602 2 24 CYS QB 2 26 LYS QD 4.530 . 4.530 2.824 1.965 4.112 . 0 0 "[ . 1 . 2]" 1
603 2 24 CYS QB 2 26 LYS QG 4.680 . 4.680 2.815 2.206 4.742 0.062 2 0 "[ . 1 . 2]" 1
604 2 24 CYS SG 2 44 HIS ND1 3.800 3.800 3.800 3.662 3.489 3.804 0.311 11 0 "[ . 1 . 2]" 1
605 2 24 CYS SG 2 47 CYS SG 4.000 4.000 4.000 3.841 3.692 3.948 0.308 3 0 "[ . 1 . 2]" 1
606 2 25 ASN H 2 25 ASN HB2 4.170 . 4.170 3.460 3.226 3.677 . 0 0 "[ . 1 . 2]" 1
607 2 25 ASN H 2 25 ASN QB 3.630 . 3.630 3.246 3.033 3.451 . 0 0 "[ . 1 . 2]" 1
608 2 25 ASN H 2 25 ASN HB3 4.170 . 4.170 3.931 3.662 4.186 0.016 5 0 "[ . 1 . 2]" 1
609 2 25 ASN H 2 26 LYS H 3.390 . 3.390 2.390 2.155 2.792 . 0 0 "[ . 1 . 2]" 1
610 2 25 ASN HA 2 25 ASN QD 4.430 . 4.430 3.357 1.770 4.061 . 0 0 "[ . 1 . 2]" 1
611 2 25 ASN QB 2 25 ASN QD 3.080 . 3.080 2.264 2.113 2.730 . 0 0 "[ . 1 . 2]" 1
612 2 25 ASN QB 2 26 LYS H 4.270 . 4.270 3.822 3.698 4.020 . 0 0 "[ . 1 . 2]" 1
613 2 25 ASN HB2 2 26 LYS H 4.920 . 4.920 4.365 3.990 4.654 . 0 0 "[ . 1 . 2]" 1
614 2 25 ASN HB3 2 26 LYS H 4.920 . 4.920 4.276 3.953 4.481 . 0 0 "[ . 1 . 2]" 1
615 2 26 LYS H 2 26 LYS HB2 3.940 . 3.940 2.553 2.382 3.215 . 0 0 "[ . 1 . 2]" 1
616 2 26 LYS H 2 26 LYS QB 3.340 . 3.340 2.398 2.133 2.625 . 0 0 "[ . 1 . 2]" 1
617 2 26 LYS H 2 26 LYS HB3 3.940 . 3.940 3.438 2.182 3.774 . 0 0 "[ . 1 . 2]" 1
618 2 26 LYS H 2 26 LYS QD 4.500 . 4.500 3.981 2.550 4.520 0.020 2 0 "[ . 1 . 2]" 1
619 2 26 LYS H 2 26 LYS QG 3.740 . 3.740 2.911 2.477 3.852 0.112 2 0 "[ . 1 . 2]" 1
620 2 26 LYS H 2 27 PRO HD2 4.820 . 4.820 4.826 4.769 4.856 0.036 15 0 "[ . 1 . 2]" 1
621 2 26 LYS H 2 27 PRO HD3 5.170 . 5.170 4.858 4.524 5.041 . 0 0 "[ . 1 . 2]" 1
622 2 26 LYS H 2 44 HIS HE1 4.090 . 4.090 4.064 3.742 4.241 0.151 12 0 "[ . 1 . 2]" 1
623 2 26 LYS HA 2 26 LYS QD 4.310 . 4.310 4.028 2.820 4.325 0.015 6 0 "[ . 1 . 2]" 1
624 2 26 LYS HA 2 26 LYS HG2 4.130 . 4.130 2.755 2.507 3.716 . 0 0 "[ . 1 . 2]" 1
625 2 26 LYS HA 2 26 LYS QG 3.530 . 3.530 2.498 2.404 2.711 . 0 0 "[ . 1 . 2]" 1
626 2 26 LYS HA 2 26 LYS HG3 4.130 . 4.130 3.000 2.500 3.171 . 0 0 "[ . 1 . 2]" 1
627 2 26 LYS HA 2 27 PRO HD2 3.450 . 3.450 2.297 2.180 2.505 . 0 0 "[ . 1 . 2]" 1
628 2 26 LYS HA 2 27 PRO HD3 3.380 . 3.380 2.268 2.096 2.470 . 0 0 "[ . 1 . 2]" 1
629 2 26 LYS HA 2 27 PRO QG 4.110 . 4.110 3.952 3.874 4.015 . 0 0 "[ . 1 . 2]" 1
630 2 26 LYS QB 2 26 LYS QD 3.350 . 3.350 2.155 2.013 2.344 . 0 0 "[ . 1 . 2]" 1
631 2 26 LYS QB 2 26 LYS QE 4.200 . 4.200 3.224 1.917 3.766 . 0 0 "[ . 1 . 2]" 1
632 2 26 LYS QB 2 27 PRO HD2 3.350 . 3.350 2.545 2.130 3.403 0.053 2 0 "[ . 1 . 2]" 1
633 2 26 LYS QB 2 27 PRO HD3 3.820 . 3.820 3.702 3.359 3.927 0.107 8 0 "[ . 1 . 2]" 1
634 2 26 LYS QB 2 44 HIS HE1 3.680 . 3.680 2.727 1.973 3.238 . 0 0 "[ . 1 . 2]" 1
635 2 26 LYS HB2 2 26 LYS QD 3.830 . 3.830 2.414 2.246 3.010 . 0 0 "[ . 1 . 2]" 1
636 2 26 LYS HB2 2 27 PRO HD2 4.050 . 4.050 3.847 3.352 4.056 0.006 17 0 "[ . 1 . 2]" 1
637 2 26 LYS HB3 2 26 LYS QD 3.830 . 3.830 2.503 2.265 3.326 . 0 0 "[ . 1 . 2]" 1
638 2 26 LYS HB3 2 27 PRO HD2 4.050 . 4.050 2.679 2.143 4.081 0.031 6 0 "[ . 1 . 2]" 1
639 2 26 LYS QD 2 44 HIS HE1 5.320 . 5.320 4.206 2.544 5.176 . 0 0 "[ . 1 . 2]" 1
640 2 26 LYS QE 2 26 LYS HG2 3.400 . 3.400 2.645 2.375 3.463 0.063 2 0 "[ . 1 . 2]" 1
641 2 26 LYS QE 2 26 LYS HG3 3.400 . 3.400 2.639 2.331 3.334 . 0 0 "[ . 1 . 2]" 1
642 2 26 LYS QG 2 27 PRO HD2 4.080 . 4.080 3.186 1.954 3.598 . 0 0 "[ . 1 . 2]" 1
643 2 26 LYS QG 2 27 PRO HD3 4.400 . 4.400 4.057 3.166 4.378 . 0 0 "[ . 1 . 2]" 1
644 2 26 LYS QG 2 44 HIS HE1 5.340 . 5.340 4.440 2.292 5.341 0.001 12 0 "[ . 1 . 2]" 1
645 2 26 LYS HG2 2 27 PRO HD2 4.670 . 4.670 3.417 2.219 4.073 . 0 0 "[ . 1 . 2]" 1
646 2 26 LYS HG3 2 27 PRO HD2 4.670 . 4.670 4.181 2.009 4.710 0.040 11 0 "[ . 1 . 2]" 1
647 2 27 PRO HA 2 28 ASP H 3.240 . 3.240 2.334 2.126 2.511 . 0 0 "[ . 1 . 2]" 1
648 2 27 PRO HA 2 28 ASP QB 4.770 . 4.770 4.208 3.910 4.682 . 0 0 "[ . 1 . 2]" 1
649 2 27 PRO QB 2 28 ASP H 3.320 . 3.320 2.514 2.376 2.709 . 0 0 "[ . 1 . 2]" 1
650 2 27 PRO HB2 2 28 ASP H 3.790 . 3.790 2.586 2.443 2.796 . 0 0 "[ . 1 . 2]" 1
651 2 27 PRO HB3 2 28 ASP H 3.790 . 3.790 3.439 3.214 3.627 . 0 0 "[ . 1 . 2]" 1
652 2 27 PRO QG 2 28 ASP H 4.060 . 4.060 4.093 3.999 4.148 0.088 16 0 "[ . 1 . 2]" 1
653 2 28 ASP H 2 28 ASP HB2 3.660 . 3.660 2.939 2.580 3.677 0.017 7 0 "[ . 1 . 2]" 1
654 2 28 ASP H 2 28 ASP QB 3.050 . 3.050 2.363 2.147 2.746 . 0 0 "[ . 1 . 2]" 1
655 2 28 ASP H 2 28 ASP HB3 3.660 . 3.660 2.509 2.227 2.838 . 0 0 "[ . 1 . 2]" 1
656 2 28 ASP H 2 29 ASP H 4.710 . 4.710 4.413 4.070 4.568 . 0 0 "[ . 1 . 2]" 1
657 2 28 ASP H 2 33 MET ME 4.760 . 4.760 4.145 3.856 4.403 . 0 0 "[ . 1 . 2]" 1
658 2 28 ASP HA 2 29 ASP H 3.110 . 3.110 2.069 1.925 2.212 . 0 0 "[ . 1 . 2]" 1
659 2 28 ASP HA 2 30 GLY H 3.980 . 3.980 3.475 3.142 3.772 . 0 0 "[ . 1 . 2]" 1
660 2 28 ASP HA 2 33 MET ME 3.680 . 3.680 3.646 3.508 3.765 0.085 9 0 "[ . 1 . 2]" 1
661 2 28 ASP HA 2 44 HIS HE2 4.150 . 4.150 1.962 1.641 2.807 . 0 0 "[ . 1 . 2]" 1
662 2 28 ASP QB 2 30 GLY H 3.840 . 3.840 3.513 2.454 3.786 . 0 0 "[ . 1 . 2]" 1
663 2 28 ASP QB 2 33 MET ME 3.120 . 3.120 2.659 2.022 3.134 0.014 6 0 "[ . 1 . 2]" 1
664 2 28 ASP HB2 2 29 ASP H 4.600 . 4.600 3.845 2.664 4.144 . 0 0 "[ . 1 . 2]" 1
665 2 28 ASP HB2 2 30 GLY H 4.710 . 4.710 4.039 2.477 4.478 . 0 0 "[ . 1 . 2]" 1
666 2 28 ASP HB3 2 29 ASP H 4.600 . 4.600 4.092 3.878 4.297 . 0 0 "[ . 1 . 2]" 1
667 2 28 ASP HB3 2 30 GLY H 4.710 . 4.710 4.044 3.526 4.785 0.075 7 0 "[ . 1 . 2]" 1
668 2 29 ASP H 2 30 GLY H 3.150 . 3.150 2.193 1.618 2.587 . 0 0 "[ . 1 . 2]" 1
669 2 29 ASP H 2 30 GLY HA2 5.310 . 5.310 4.520 4.230 4.762 . 0 0 "[ . 1 . 2]" 1
670 2 29 ASP H 2 30 GLY QA 4.580 . 4.580 4.115 3.633 4.340 . 0 0 "[ . 1 . 2]" 1
671 2 29 ASP H 2 30 GLY HA3 5.310 . 5.310 4.746 3.920 5.058 . 0 0 "[ . 1 . 2]" 1
672 2 29 ASP H 2 31 SER H 3.680 . 3.680 3.025 2.347 3.721 0.041 5 0 "[ . 1 . 2]" 1
673 2 29 ASP H 2 33 MET ME 5.020 . 5.020 5.076 4.949 5.135 0.115 5 0 "[ . 1 . 2]" 1
674 2 29 ASP H 2 44 HIS HD2 4.770 . 4.770 4.561 3.922 4.822 0.052 16 0 "[ . 1 . 2]" 1
675 2 29 ASP QB 2 30 GLY H 4.450 . 4.450 3.414 2.738 3.942 . 0 0 "[ . 1 . 2]" 1
676 2 30 GLY H 2 31 SER H 3.390 . 3.390 2.051 1.755 2.901 . 0 0 "[ . 1 . 2]" 1
677 2 31 SER H 2 31 SER HB2 3.900 . 3.900 2.812 2.357 3.618 . 0 0 "[ . 1 . 2]" 1
678 2 31 SER H 2 31 SER QB 3.400 . 3.400 2.599 2.323 3.029 . 0 0 "[ . 1 . 2]" 1
679 2 31 SER H 2 31 SER HB3 3.900 . 3.900 3.419 2.534 3.768 . 0 0 "[ . 1 . 2]" 1
680 2 31 SER H 2 32 PRO QD 4.880 . 4.880 4.400 4.265 4.484 . 0 0 "[ . 1 . 2]" 1
681 2 31 SER HA 2 32 PRO HD2 3.400 . 3.400 3.027 2.293 3.340 . 0 0 "[ . 1 . 2]" 1
682 2 31 SER HA 2 32 PRO QD 2.910 . 2.910 2.040 1.841 2.190 . 0 0 "[ . 1 . 2]" 1
683 2 31 SER HA 2 32 PRO HD3 3.400 . 3.400 2.082 1.865 2.230 . 0 0 "[ . 1 . 2]" 1
684 2 31 SER QB 2 32 PRO QD 3.140 . 3.140 2.341 1.988 3.156 0.016 14 0 "[ . 1 . 2]" 1
685 2 31 SER HB2 2 32 PRO HD2 4.210 . 4.210 3.444 2.200 4.038 . 0 0 "[ . 1 . 2]" 1
686 2 31 SER HB2 2 32 PRO HD3 4.210 . 4.210 3.935 2.681 4.296 0.086 7 0 "[ . 1 . 2]" 1
687 2 31 SER HB3 2 32 PRO HD2 4.210 . 4.210 2.789 2.030 3.821 . 0 0 "[ . 1 . 2]" 1
688 2 31 SER HB3 2 32 PRO HD3 4.210 . 4.210 3.241 2.675 4.253 0.043 14 0 "[ . 1 . 2]" 1
689 2 32 PRO HA 2 33 MET H 2.940 . 2.940 2.102 2.052 2.171 . 0 0 "[ . 1 . 2]" 1
690 2 32 PRO HB2 2 45 TRP H 5.500 . 5.500 4.132 3.606 4.690 . 0 0 "[ . 1 . 2]" 1
691 2 32 PRO HB2 2 45 TRP HE1 4.540 . 4.540 4.124 3.714 4.555 0.015 12 0 "[ . 1 . 2]" 1
692 2 32 PRO HB2 2 45 TRP HZ2 4.850 . 4.850 4.151 3.784 4.849 . 0 0 "[ . 1 . 2]" 1
693 2 32 PRO HB2 2 45 TRP HZ3 4.890 . 4.890 4.138 3.800 4.494 . 0 0 "[ . 1 . 2]" 1
694 2 32 PRO HB3 2 33 MET H 4.220 . 4.220 3.698 3.231 3.979 . 0 0 "[ . 1 . 2]" 1
695 2 32 PRO HB3 2 45 TRP HE1 5.210 . 5.210 4.410 4.022 4.944 . 0 0 "[ . 1 . 2]" 1
696 2 32 PRO HB3 2 45 TRP HZ2 4.670 . 4.670 3.541 3.101 3.969 . 0 0 "[ . 1 . 2]" 1
697 2 32 PRO QG 2 45 TRP HE3 4.480 . 4.480 3.692 3.233 4.124 . 0 0 "[ . 1 . 2]" 1
698 2 32 PRO QG 2 45 TRP HZ3 3.800 . 3.800 3.802 3.575 3.891 0.091 16 0 "[ . 1 . 2]" 1
699 2 33 MET H 2 33 MET HB2 3.290 . 3.290 2.755 2.606 2.857 . 0 0 "[ . 1 . 2]" 1
700 2 33 MET H 2 33 MET HG3 4.020 . 4.020 2.930 2.641 4.048 0.028 11 0 "[ . 1 . 2]" 1
701 2 33 MET H 2 34 ILE H 4.920 . 4.920 4.421 4.366 4.475 . 0 0 "[ . 1 . 2]" 1
702 2 33 MET H 2 45 TRP HE1 4.610 . 4.610 3.971 3.688 4.283 . 0 0 "[ . 1 . 2]" 1
703 2 33 MET HA 2 33 MET HG2 3.980 . 3.980 2.647 2.519 2.785 . 0 0 "[ . 1 . 2]" 1
704 2 33 MET HA 2 33 MET HG3 4.210 . 4.210 3.353 3.247 3.780 . 0 0 "[ . 1 . 2]" 1
705 2 33 MET HA 2 34 ILE H 3.500 . 3.500 2.314 2.237 2.415 . 0 0 "[ . 1 . 2]" 1
706 2 33 MET HA 2 34 ILE MG 4.160 . 4.160 3.713 3.548 3.891 . 0 0 "[ . 1 . 2]" 1
707 2 33 MET HA 2 44 HIS HA 3.890 . 3.890 2.362 2.022 2.735 . 0 0 "[ . 1 . 2]" 1
708 2 33 MET HA 2 45 TRP H 3.850 . 3.850 3.171 2.885 3.526 . 0 0 "[ . 1 . 2]" 1
709 2 33 MET HA 2 45 TRP HA 5.210 . 5.210 4.572 4.337 4.744 . 0 0 "[ . 1 . 2]" 1
710 2 33 MET HA 2 45 TRP HD1 3.860 . 3.860 2.938 2.765 3.029 . 0 0 "[ . 1 . 2]" 1
711 2 33 MET HA 2 45 TRP HE1 4.530 . 4.530 3.813 3.363 4.255 . 0 0 "[ . 1 . 2]" 1
712 2 33 MET HB2 2 33 MET ME 3.790 . 3.790 3.310 3.217 3.427 . 0 0 "[ . 1 . 2]" 1
713 2 33 MET HB2 2 34 ILE H 4.100 . 4.100 3.566 3.448 3.661 . 0 0 "[ . 1 . 2]" 1
714 2 33 MET HB2 2 34 ILE HA 4.910 . 4.910 4.428 4.274 4.513 . 0 0 "[ . 1 . 2]" 1
715 2 33 MET HB2 2 42 TRP HB3 5.110 . 5.110 3.485 3.102 3.812 . 0 0 "[ . 1 . 2]" 1
716 2 33 MET HB2 2 42 TRP HE3 3.530 . 3.530 2.334 2.137 2.640 . 0 0 "[ . 1 . 2]" 1
717 2 33 MET HB2 2 42 TRP HZ3 4.510 . 4.510 3.271 3.080 3.379 . 0 0 "[ . 1 . 2]" 1
718 2 33 MET HB2 2 43 TYR H 5.330 . 5.330 5.123 4.584 5.354 0.024 18 0 "[ . 1 . 2]" 1
719 2 33 MET HB3 2 33 MET ME 3.620 . 3.620 2.162 2.073 2.291 . 0 0 "[ . 1 . 2]" 1
720 2 33 MET HB3 2 34 ILE H 3.870 . 3.870 2.576 2.439 2.689 . 0 0 "[ . 1 . 2]" 1
721 2 33 MET HB3 2 42 TRP HE3 3.680 . 3.680 2.378 2.188 2.563 . 0 0 "[ . 1 . 2]" 1
722 2 33 MET HB3 2 43 TYR H 4.440 . 4.440 3.679 3.195 3.868 . 0 0 "[ . 1 . 2]" 1
723 2 33 MET ME 2 33 MET HG2 3.650 . 3.650 2.487 2.340 3.342 . 0 0 "[ . 1 . 2]" 1
724 2 33 MET ME 2 34 ILE H 4.510 . 4.510 4.008 3.839 4.152 . 0 0 "[ . 1 . 2]" 1
725 2 33 MET ME 2 34 ILE MG 5.480 . 5.480 5.055 4.888 5.256 . 0 0 "[ . 1 . 2]" 1
726 2 33 MET ME 2 42 TRP HA 4.430 . 4.430 3.845 3.587 4.255 . 0 0 "[ . 1 . 2]" 1
727 2 33 MET ME 2 42 TRP HB2 3.700 . 3.700 2.934 2.616 3.216 . 0 0 "[ . 1 . 2]" 1
728 2 33 MET ME 2 42 TRP HB3 3.520 . 3.520 2.168 1.994 2.377 . 0 0 "[ . 1 . 2]" 1
729 2 33 MET ME 2 42 TRP HE3 4.090 . 4.090 3.589 3.480 3.679 . 0 0 "[ . 1 . 2]" 1
730 2 33 MET ME 2 42 TRP HZ3 5.500 . 5.500 5.543 5.451 5.593 0.093 20 0 "[ . 1 . 2]" 1
731 2 33 MET ME 2 43 TYR H 4.270 . 4.270 3.598 3.223 3.925 . 0 0 "[ . 1 . 2]" 1
732 2 33 MET ME 2 43 TYR HA 3.990 . 3.990 3.259 3.021 3.548 . 0 0 "[ . 1 . 2]" 1
733 2 33 MET ME 2 44 HIS H 4.160 . 4.160 3.507 3.047 3.875 . 0 0 "[ . 1 . 2]" 1
734 2 33 MET ME 2 44 HIS HA 4.020 . 4.020 3.334 3.039 3.636 . 0 0 "[ . 1 . 2]" 1
735 2 33 MET ME 2 44 HIS HD2 4.000 . 4.000 3.002 2.613 3.524 . 0 0 "[ . 1 . 2]" 1
736 2 33 MET ME 2 44 HIS HE1 4.610 . 4.610 3.871 3.331 4.582 . 0 0 "[ . 1 . 2]" 1
737 2 33 MET ME 2 44 HIS HE2 4.150 . 4.150 3.122 2.440 4.153 0.003 11 0 "[ . 1 . 2]" 1
738 2 33 MET HG2 2 34 ILE H 4.580 . 4.580 4.360 4.197 4.649 0.069 18 0 "[ . 1 . 2]" 1
739 2 33 MET HG2 2 42 TRP HE3 5.500 . 5.500 4.748 4.560 4.884 . 0 0 "[ . 1 . 2]" 1
740 2 33 MET HG2 2 44 HIS HA 4.000 . 4.000 2.862 2.428 3.844 . 0 0 "[ . 1 . 2]" 1
741 2 33 MET HG2 2 44 HIS HD2 3.960 . 3.960 2.228 1.921 3.623 . 0 0 "[ . 1 . 2]" 1
742 2 33 MET HG2 2 44 HIS HE2 5.500 . 5.500 3.992 3.223 5.519 0.019 11 0 "[ . 1 . 2]" 1
743 2 33 MET HG3 2 34 ILE H 5.210 . 5.210 4.990 4.911 5.060 . 0 0 "[ . 1 . 2]" 1
744 2 33 MET HG3 2 42 TRP HZ3 5.500 . 5.500 5.494 5.317 5.564 0.064 11 0 "[ . 1 . 2]" 1
745 2 33 MET HG3 2 44 HIS HA 4.410 . 4.410 4.341 3.984 4.556 0.146 11 0 "[ . 1 . 2]" 1
746 2 33 MET HG3 2 44 HIS HD2 4.250 . 4.250 3.461 2.976 4.302 0.052 11 0 "[ . 1 . 2]" 1
747 2 34 ILE H 2 34 ILE HG13 4.760 . 4.760 4.674 4.648 4.702 . 0 0 "[ . 1 . 2]" 1
748 2 34 ILE H 2 34 ILE MG 3.370 . 3.370 2.229 2.135 2.289 . 0 0 "[ . 1 . 2]" 1
749 2 34 ILE H 2 42 TRP HB3 5.500 . 5.500 4.414 3.835 4.733 . 0 0 "[ . 1 . 2]" 1
750 2 34 ILE H 2 42 TRP HE3 4.250 . 4.250 3.176 2.954 3.356 . 0 0 "[ . 1 . 2]" 1
751 2 34 ILE H 2 43 TYR H 3.790 . 3.790 3.081 2.916 3.197 . 0 0 "[ . 1 . 2]" 1
752 2 34 ILE H 2 44 HIS HA 4.920 . 4.920 3.581 3.412 3.898 . 0 0 "[ . 1 . 2]" 1
753 2 34 ILE H 2 45 TRP H 4.940 . 4.940 4.597 4.385 4.835 . 0 0 "[ . 1 . 2]" 1
754 2 34 ILE H 2 45 TRP HA 4.910 . 4.910 4.756 4.557 4.918 0.008 20 0 "[ . 1 . 2]" 1
755 2 34 ILE H 2 45 TRP HD1 4.090 . 4.090 3.098 2.933 3.227 . 0 0 "[ . 1 . 2]" 1
756 2 34 ILE H 2 48 VAL MG2 4.780 . 4.780 4.469 4.292 4.620 . 0 0 "[ . 1 . 2]" 1
757 2 34 ILE HA 2 34 ILE MD 4.150 . 4.150 3.746 3.723 3.766 . 0 0 "[ . 1 . 2]" 1
758 2 34 ILE HA 2 34 ILE HG12 4.180 . 4.180 3.216 3.159 3.312 . 0 0 "[ . 1 . 2]" 1
759 2 34 ILE HA 2 34 ILE HG13 3.700 . 3.700 2.436 2.400 2.500 . 0 0 "[ . 1 . 2]" 1
760 2 34 ILE HA 2 35 GLY H 3.430 . 3.430 2.126 2.063 2.210 . 0 0 "[ . 1 . 2]" 1
761 2 34 ILE HA 2 35 GLY HA3 4.590 . 4.590 4.275 4.214 4.333 . 0 0 "[ . 1 . 2]" 1
762 2 34 ILE HA 2 42 TRP HE3 4.500 . 4.500 3.507 3.156 3.737 . 0 0 "[ . 1 . 2]" 1
763 2 34 ILE HA 2 42 TRP HZ3 4.110 . 4.110 2.691 2.381 3.001 . 0 0 "[ . 1 . 2]" 1
764 2 34 ILE HA 2 45 TRP HE1 4.420 . 4.420 3.300 3.099 3.475 . 0 0 "[ . 1 . 2]" 1
765 2 34 ILE HB 2 34 ILE MD 3.440 . 3.440 2.355 2.308 2.375 . 0 0 "[ . 1 . 2]" 1
766 2 34 ILE HB 2 35 GLY H 4.370 . 4.370 4.120 4.050 4.225 . 0 0 "[ . 1 . 2]" 1
767 2 34 ILE HB 2 45 TRP HD1 3.910 . 3.910 2.711 2.469 3.003 . 0 0 "[ . 1 . 2]" 1
768 2 34 ILE HB 2 45 TRP HE1 3.510 . 3.510 2.251 2.056 2.394 . 0 0 "[ . 1 . 2]" 1
769 2 34 ILE MD 2 34 ILE MG 3.140 . 3.140 1.973 1.946 2.013 . 0 0 "[ . 1 . 2]" 1
770 2 34 ILE MD 2 35 GLY H 4.330 . 4.330 4.196 4.108 4.347 0.017 3 0 "[ . 1 . 2]" 1
771 2 34 ILE MD 2 45 TRP HD1 4.780 . 4.780 4.199 4.049 4.437 . 0 0 "[ . 1 . 2]" 1
772 2 34 ILE MD 2 45 TRP HE1 4.200 . 4.200 3.728 3.612 3.914 . 0 0 "[ . 1 . 2]" 1
773 2 34 ILE MD 2 48 VAL MG2 4.170 . 4.170 3.514 3.375 3.728 . 0 0 "[ . 1 . 2]" 1
774 2 34 ILE MD 2 50 ILE MD 3.260 . 3.260 2.443 2.389 2.526 . 0 0 "[ . 1 . 2]" 1
775 2 34 ILE MD 2 50 ILE HG12 4.770 . 4.770 3.543 3.339 3.712 . 0 0 "[ . 1 . 2]" 1
776 2 34 ILE MD 2 50 ILE HG13 4.150 . 4.150 2.213 2.108 2.334 . 0 0 "[ . 1 . 2]" 1
777 2 34 ILE MD 2 50 ILE MG 3.820 . 3.820 2.702 2.518 2.978 . 0 0 "[ . 1 . 2]" 1
778 2 34 ILE MD 2 53 ALA HA 4.820 . 4.820 4.033 3.811 4.350 . 0 0 "[ . 1 . 2]" 1
779 2 34 ILE MD 2 54 PRO HD2 4.180 . 4.180 2.698 2.364 2.880 . 0 0 "[ . 1 . 2]" 1
780 2 34 ILE MD 2 54 PRO HD3 4.510 . 4.510 2.885 2.616 3.147 . 0 0 "[ . 1 . 2]" 1
781 2 34 ILE MD 2 54 PRO HG2 4.120 . 4.120 2.562 1.988 2.977 . 0 0 "[ . 1 . 2]" 1
782 2 34 ILE MD 2 54 PRO HG3 3.680 . 3.680 3.056 2.532 3.521 . 0 0 "[ . 1 . 2]" 1
783 2 34 ILE MD 2 60 TRP HB2 3.910 . 3.910 3.188 2.871 3.387 . 0 0 "[ . 1 . 2]" 1
784 2 34 ILE MD 2 60 TRP HB3 3.780 . 3.780 2.752 2.379 3.003 . 0 0 "[ . 1 . 2]" 1
785 2 34 ILE MD 2 60 TRP HD1 4.050 . 4.050 3.751 3.515 4.074 0.024 3 0 "[ . 1 . 2]" 1
786 2 34 ILE MD 2 60 TRP HE1 4.830 . 4.830 3.783 3.516 4.095 . 0 0 "[ . 1 . 2]" 1
787 2 34 ILE MD 2 60 TRP HE3 4.300 . 4.300 3.287 2.942 3.541 . 0 0 "[ . 1 . 2]" 1
788 2 34 ILE HG12 2 34 ILE MG 3.750 . 3.750 2.307 2.231 2.339 . 0 0 "[ . 1 . 2]" 1
789 2 34 ILE HG12 2 35 GLY H 4.090 . 4.090 2.977 2.800 3.230 . 0 0 "[ . 1 . 2]" 1
790 2 34 ILE HG12 2 45 TRP HE1 5.500 . 5.500 5.109 4.965 5.266 . 0 0 "[ . 1 . 2]" 1
791 2 34 ILE HG12 2 50 ILE MD 4.710 . 4.710 4.740 4.712 4.777 0.067 3 0 "[ . 1 . 2]" 1
792 2 34 ILE HG12 2 60 TRP HB3 4.640 . 4.640 3.763 3.301 4.080 . 0 0 "[ . 1 . 2]" 1
793 2 34 ILE HG12 2 60 TRP HE3 4.180 . 4.180 2.902 2.775 3.027 . 0 0 "[ . 1 . 2]" 1
794 2 34 ILE HG12 2 60 TRP HZ3 4.980 . 4.980 3.437 3.043 3.708 . 0 0 "[ . 1 . 2]" 1
795 2 34 ILE HG13 2 35 GLY H 3.820 . 3.820 2.719 2.607 2.858 . 0 0 "[ . 1 . 2]" 1
796 2 34 ILE HG13 2 35 GLY HA3 5.200 . 5.200 4.872 4.668 5.167 . 0 0 "[ . 1 . 2]" 1
797 2 34 ILE HG13 2 45 TRP HE1 4.930 . 4.930 4.093 3.904 4.327 . 0 0 "[ . 1 . 2]" 1
798 2 34 ILE HG13 2 54 PRO HD3 5.500 . 5.500 4.952 4.537 5.394 . 0 0 "[ . 1 . 2]" 1
799 2 34 ILE MG 2 35 GLY H 4.140 . 4.140 3.840 3.719 3.933 . 0 0 "[ . 1 . 2]" 1
800 2 34 ILE MG 2 36 CYS HB2 4.700 . 4.700 4.792 4.740 4.848 0.148 12 0 "[ . 1 . 2]" 1
801 2 34 ILE MG 2 42 TRP HE3 5.500 . 5.500 4.623 4.480 4.750 . 0 0 "[ . 1 . 2]" 1
802 2 34 ILE MG 2 43 TYR H 4.030 . 4.030 3.265 3.050 3.429 . 0 0 "[ . 1 . 2]" 1
803 2 34 ILE MG 2 43 TYR HB2 4.040 . 4.040 2.700 2.519 2.875 . 0 0 "[ . 1 . 2]" 1
804 2 34 ILE MG 2 43 TYR HB3 4.780 . 4.780 3.794 3.590 4.083 . 0 0 "[ . 1 . 2]" 1
805 2 34 ILE MG 2 43 TYR QD 5.500 . 5.500 3.843 3.278 4.157 . 0 0 "[ . 1 . 2]" 1
806 2 34 ILE MG 2 45 TRP H 4.850 . 4.850 4.412 4.191 4.599 . 0 0 "[ . 1 . 2]" 1
807 2 34 ILE MG 2 45 TRP HA 4.310 . 4.310 3.227 3.071 3.386 . 0 0 "[ . 1 . 2]" 1
808 2 34 ILE MG 2 45 TRP HD1 3.550 . 3.550 2.488 2.262 2.736 . 0 0 "[ . 1 . 2]" 1
809 2 34 ILE MG 2 45 TRP HE1 4.210 . 4.210 3.655 3.460 3.864 . 0 0 "[ . 1 . 2]" 1
810 2 34 ILE MG 2 48 VAL MG1 4.430 . 4.430 3.298 3.164 3.446 . 0 0 "[ . 1 . 2]" 1
811 2 34 ILE MG 2 48 VAL MG2 3.150 . 3.150 2.150 2.031 2.329 . 0 0 "[ . 1 . 2]" 1
812 2 34 ILE MG 2 50 ILE HB 4.400 . 4.400 3.459 3.345 3.564 . 0 0 "[ . 1 . 2]" 1
813 2 34 ILE MG 2 50 ILE MD 3.570 . 3.570 3.422 3.327 3.564 . 0 0 "[ . 1 . 2]" 1
814 2 34 ILE MG 2 50 ILE HG12 4.520 . 4.520 3.277 3.012 3.451 . 0 0 "[ . 1 . 2]" 1
815 2 34 ILE MG 2 50 ILE HG13 3.990 . 3.990 2.125 2.032 2.297 . 0 0 "[ . 1 . 2]" 1
816 2 34 ILE MG 2 50 ILE MG 3.810 . 3.810 3.436 3.334 3.575 . 0 0 "[ . 1 . 2]" 1
817 2 34 ILE MG 2 60 TRP HB3 5.180 . 5.180 4.924 4.557 5.186 0.006 11 0 "[ . 1 . 2]" 1
818 2 34 ILE MG 2 60 TRP HE3 4.300 . 4.300 3.739 3.421 3.978 . 0 0 "[ . 1 . 2]" 1
819 2 34 ILE MG 2 60 TRP HH2 4.450 . 4.450 2.841 2.726 3.065 . 0 0 "[ . 1 . 2]" 1
820 2 34 ILE MG 2 60 TRP HZ2 4.390 . 4.390 3.413 3.226 3.730 . 0 0 "[ . 1 . 2]" 1
821 2 34 ILE MG 2 60 TRP HZ3 4.300 . 4.300 2.808 2.672 2.945 . 0 0 "[ . 1 . 2]" 1
822 2 35 GLY H 2 36 CYS H 4.730 . 4.730 4.325 2.855 4.515 . 0 0 "[ . 1 . 2]" 1
823 2 35 GLY H 2 42 TRP HZ3 4.380 . 4.380 3.063 2.732 3.457 . 0 0 "[ . 1 . 2]" 1
824 2 35 GLY HA2 2 42 TRP HA 3.930 . 3.930 2.431 1.956 2.720 . 0 0 "[ . 1 . 2]" 1
825 2 35 GLY HA2 2 42 TRP HE1 5.350 . 5.350 5.301 5.025 5.443 0.093 8 0 "[ . 1 . 2]" 1
826 2 35 GLY HA2 2 42 TRP HZ3 4.890 . 4.890 4.607 4.188 4.933 0.043 7 0 "[ . 1 . 2]" 1
827 2 35 GLY HA2 2 43 TYR H 4.260 . 4.260 3.481 2.949 3.690 . 0 0 "[ . 1 . 2]" 1
828 2 35 GLY HA2 2 60 TRP HZ3 4.970 . 4.970 4.252 3.819 4.760 . 0 0 "[ . 1 . 2]" 1
829 2 35 GLY HA3 2 42 TRP HA 4.220 . 4.220 3.906 3.281 4.224 0.004 8 0 "[ . 1 . 2]" 1
830 2 35 GLY HA3 2 42 TRP HE3 4.580 . 4.580 4.166 3.767 4.344 . 0 0 "[ . 1 . 2]" 1
831 2 35 GLY HA3 2 42 TRP HZ3 4.680 . 4.680 4.135 3.784 4.553 . 0 0 "[ . 1 . 2]" 1
832 2 36 CYS H 2 36 CYS HB2 3.680 . 3.680 2.598 2.510 3.035 . 0 0 "[ . 1 . 2]" 1
833 2 36 CYS H 2 36 CYS HB3 3.870 . 3.870 2.452 2.326 3.533 . 0 0 "[ . 1 . 2]" 1
834 2 36 CYS H 2 37 ASP H 4.650 . 4.650 4.564 4.511 4.637 . 0 0 "[ . 1 . 2]" 1
835 2 36 CYS H 2 60 TRP HZ3 4.480 . 4.480 3.175 2.449 3.467 . 0 0 "[ . 1 . 2]" 1
836 2 36 CYS H 2 62 CYS H 5.500 . 5.500 5.330 4.965 5.505 0.005 12 0 "[ . 1 . 2]" 1
837 2 36 CYS HA 2 37 ASP H 3.250 . 3.250 2.243 2.109 2.676 . 0 0 "[ . 1 . 2]" 1
838 2 36 CYS HA 2 37 ASP HB2 4.470 . 4.470 4.437 4.193 4.501 0.031 15 0 "[ . 1 . 2]" 1
839 2 36 CYS HA 2 38 ASP H 4.650 . 4.650 3.800 3.573 4.171 . 0 0 "[ . 1 . 2]" 1
840 2 36 CYS HA 2 60 TRP HE3 3.390 . 3.390 2.043 1.837 2.259 . 0 0 "[ . 1 . 2]" 1
841 2 36 CYS HA 2 60 TRP HZ3 4.200 . 4.200 2.643 2.212 2.939 . 0 0 "[ . 1 . 2]" 1
842 2 36 CYS HA 2 62 CYS H 4.240 . 4.240 3.716 3.510 3.905 . 0 0 "[ . 1 . 2]" 1
843 2 36 CYS HB2 2 37 ASP H 4.330 . 4.330 4.043 3.595 4.251 . 0 0 "[ . 1 . 2]" 1
844 2 36 CYS HB2 2 38 ASP H 5.330 . 5.330 4.305 3.952 4.599 . 0 0 "[ . 1 . 2]" 1
845 2 36 CYS HB2 2 41 ASP H 4.170 . 4.170 4.103 3.635 4.255 0.085 12 0 "[ . 1 . 2]" 1
846 2 36 CYS HB2 2 60 TRP HE3 4.760 . 4.760 3.770 3.468 4.185 . 0 0 "[ . 1 . 2]" 1
847 2 36 CYS HB2 2 60 TRP HZ3 4.100 . 4.100 2.422 2.247 2.679 . 0 0 "[ . 1 . 2]" 1
848 2 36 CYS HB2 2 61 PHE HA 4.410 . 4.410 3.764 3.409 4.064 . 0 0 "[ . 1 . 2]" 1
849 2 36 CYS HB2 2 62 CYS H 3.650 . 3.650 2.876 2.405 3.264 . 0 0 "[ . 1 . 2]" 1
850 2 36 CYS HB2 2 62 CYS HA 5.190 . 5.190 4.341 3.799 4.849 . 0 0 "[ . 1 . 2]" 1
851 2 36 CYS HB2 2 62 CYS HB3 4.370 . 4.370 2.562 2.128 3.122 . 0 0 "[ . 1 . 2]" 1
852 2 36 CYS HB3 2 37 ASP H 4.950 . 4.950 3.972 3.067 4.296 . 0 0 "[ . 1 . 2]" 1
853 2 36 CYS HB3 2 39 CYS H 4.210 . 4.210 3.060 2.600 3.703 . 0 0 "[ . 1 . 2]" 1
854 2 36 CYS HB3 2 40 ASP H 3.920 . 3.920 2.666 2.301 3.074 . 0 0 "[ . 1 . 2]" 1
855 2 36 CYS HB3 2 41 ASP H 3.780 . 3.780 2.701 2.253 3.274 . 0 0 "[ . 1 . 2]" 1
856 2 36 CYS HB3 2 60 TRP HZ3 4.670 . 4.670 3.948 3.711 4.132 . 0 0 "[ . 1 . 2]" 1
857 2 36 CYS HB3 2 61 PHE QD 5.500 . 5.500 5.300 5.060 5.509 0.009 20 0 "[ . 1 . 2]" 1
858 2 36 CYS HB3 2 62 CYS H 4.580 . 4.580 4.027 3.590 4.427 . 0 0 "[ . 1 . 2]" 1
859 2 36 CYS HB3 2 62 CYS HB3 4.990 . 4.990 4.037 3.374 4.638 . 0 0 "[ . 1 . 2]" 1
860 2 36 CYS SG 2 39 CYS SG 4.000 4.000 4.000 3.710 3.651 3.809 0.349 7 0 "[ . 1 . 2]" 1
861 2 36 CYS SG 2 62 CYS SG 4.000 4.000 4.000 3.770 3.697 3.845 0.303 1 0 "[ . 1 . 2]" 1
862 2 36 CYS SG 2 65 CYS SG 4.000 4.000 4.000 3.827 3.737 3.886 0.263 14 0 "[ . 1 . 2]" 1
863 2 37 ASP H 2 37 ASP HB2 3.720 . 3.720 2.373 2.207 2.845 . 0 0 "[ . 1 . 2]" 1
864 2 37 ASP H 2 37 ASP HB3 3.530 . 3.530 3.411 2.552 3.615 0.085 3 0 "[ . 1 . 2]" 1
865 2 37 ASP H 2 38 ASP H 3.950 . 3.950 2.426 1.793 2.585 . 0 0 "[ . 1 . 2]" 1
866 2 37 ASP H 2 39 CYS H 4.970 . 4.970 4.485 3.946 4.938 . 0 0 "[ . 1 . 2]" 1
867 2 37 ASP H 2 60 TRP H 4.770 . 4.770 3.746 3.357 4.915 0.145 17 0 "[ . 1 . 2]" 1
868 2 37 ASP H 2 60 TRP HE3 4.190 . 4.190 3.470 3.208 3.973 . 0 0 "[ . 1 . 2]" 1
869 2 37 ASP H 2 61 PHE HA 4.120 . 4.120 2.819 2.587 2.906 . 0 0 "[ . 1 . 2]" 1
870 2 37 ASP H 2 61 PHE HB2 5.500 . 5.500 5.451 5.174 5.581 0.081 14 0 "[ . 1 . 2]" 1
871 2 37 ASP H 2 61 PHE QD 4.400 . 4.400 3.208 2.791 3.610 . 0 0 "[ . 1 . 2]" 1
872 2 37 ASP HB2 2 38 ASP H 4.660 . 4.660 3.567 3.220 4.107 . 0 0 "[ . 1 . 2]" 1
873 2 37 ASP HB2 2 59 GLN HB3 4.440 . 4.440 3.077 2.440 3.882 . 0 0 "[ . 1 . 2]" 1
874 2 37 ASP HB2 2 59 GLN HE21 4.440 . 4.440 3.185 2.544 4.492 0.052 19 0 "[ . 1 . 2]" 1
875 2 37 ASP HB2 2 60 TRP H 4.420 . 4.420 2.888 2.544 4.297 . 0 0 "[ . 1 . 2]" 1
876 2 37 ASP HB2 2 61 PHE QD 4.310 . 4.310 3.488 3.080 4.373 0.063 17 0 "[ . 1 . 2]" 1
877 2 37 ASP HB2 2 61 PHE QE 4.070 . 4.070 2.901 2.424 3.896 . 0 0 "[ . 1 . 2]" 1
878 2 37 ASP HB2 2 61 PHE HZ 4.390 . 4.390 3.838 3.383 4.435 0.045 17 0 "[ . 1 . 2]" 1
879 2 37 ASP HB3 2 38 ASP H 4.950 . 4.950 3.881 2.884 4.314 . 0 0 "[ . 1 . 2]" 1
880 2 37 ASP HB3 2 60 TRP H 5.260 . 5.260 4.077 3.759 4.728 . 0 0 "[ . 1 . 2]" 1
881 2 37 ASP HB3 2 61 PHE QD 4.360 . 4.360 4.139 2.965 4.380 0.020 4 0 "[ . 1 . 2]" 1
882 2 37 ASP HB3 2 61 PHE QE 3.810 . 3.810 2.798 2.052 3.080 . 0 0 "[ . 1 . 2]" 1
883 2 37 ASP HB3 2 61 PHE HZ 4.070 . 4.070 3.810 3.256 4.104 0.034 19 0 "[ . 1 . 2]" 1
884 2 38 ASP H 2 38 ASP HB2 3.860 . 3.860 2.827 2.621 3.050 . 0 0 "[ . 1 . 2]" 1
885 2 38 ASP H 2 38 ASP HB3 3.850 . 3.850 2.697 2.586 2.840 . 0 0 "[ . 1 . 2]" 1
886 2 38 ASP H 2 39 CYS H 3.410 . 3.410 2.392 2.048 2.812 . 0 0 "[ . 1 . 2]" 1
887 2 38 ASP H 2 40 ASP H 4.470 . 4.470 3.533 2.993 4.522 0.052 18 0 "[ . 1 . 2]" 1
888 2 38 ASP H 2 61 PHE QD 4.000 . 4.000 2.445 2.174 3.013 . 0 0 "[ . 1 . 2]" 1
889 2 38 ASP H 2 61 PHE QE 4.520 . 4.520 3.486 3.215 3.847 . 0 0 "[ . 1 . 2]" 1
890 2 38 ASP H 2 65 CYS HB3 5.500 . 5.500 4.467 4.066 4.786 . 0 0 "[ . 1 . 2]" 1
891 2 38 ASP HA 2 61 PHE QE 4.490 . 4.490 3.310 2.738 3.569 . 0 0 "[ . 1 . 2]" 1
892 2 38 ASP HB2 2 39 CYS H 3.600 . 3.600 3.625 3.531 3.679 0.079 7 0 "[ . 1 . 2]" 1
893 2 38 ASP HB2 2 61 PHE QD 3.510 . 3.510 2.018 1.836 2.396 . 0 0 "[ . 1 . 2]" 1
894 2 38 ASP HB2 2 61 PHE QE 3.710 . 3.710 2.663 2.304 2.818 . 0 0 "[ . 1 . 2]" 1
895 2 38 ASP HB3 2 39 CYS H 3.290 . 3.290 2.265 2.000 2.517 . 0 0 "[ . 1 . 2]" 1
896 2 38 ASP HB3 2 61 PHE HB3 4.360 . 4.360 3.909 3.202 4.365 0.005 1 0 "[ . 1 . 2]" 1
897 2 38 ASP HB3 2 61 PHE QD 3.800 . 3.800 2.825 2.659 2.969 . 0 0 "[ . 1 . 2]" 1
898 2 38 ASP HB3 2 61 PHE QE 4.280 . 4.280 4.208 3.914 4.323 0.043 20 0 "[ . 1 . 2]" 1
899 2 38 ASP HB3 2 62 CYS H 5.380 . 5.380 4.750 4.511 5.101 . 0 0 "[ . 1 . 2]" 1
900 2 38 ASP HB3 2 65 CYS HB2 4.060 . 4.060 3.277 3.057 3.511 . 0 0 "[ . 1 . 2]" 1
901 2 38 ASP HB3 2 65 CYS HB3 4.230 . 4.230 2.485 2.298 2.740 . 0 0 "[ . 1 . 2]" 1
902 2 39 CYS H 2 39 CYS HB2 3.970 . 3.970 3.312 2.528 3.774 . 0 0 "[ . 1 . 2]" 1
903 2 39 CYS H 2 39 CYS QB 3.420 . 3.420 2.701 2.486 2.863 . 0 0 "[ . 1 . 2]" 1
904 2 39 CYS H 2 39 CYS HB3 3.970 . 3.970 3.158 2.643 3.758 . 0 0 "[ . 1 . 2]" 1
905 2 39 CYS H 2 40 ASP H 3.500 . 3.500 2.586 2.231 3.119 . 0 0 "[ . 1 . 2]" 1
906 2 39 CYS H 2 41 ASP H 4.850 . 4.850 4.243 3.842 4.938 0.088 7 0 "[ . 1 . 2]" 1
907 2 39 CYS H 2 61 PHE QD 4.720 . 4.720 4.068 3.815 4.280 . 0 0 "[ . 1 . 2]" 1
908 2 39 CYS H 2 61 PHE QE 5.500 . 5.500 5.381 5.047 5.510 0.010 14 0 "[ . 1 . 2]" 1
909 2 39 CYS H 2 65 CYS HB3 4.260 . 4.260 4.306 4.140 4.398 0.138 8 0 "[ . 1 . 2]" 1
910 2 39 CYS QB 2 40 ASP H 3.780 . 3.780 3.088 1.738 3.732 . 0 0 "[ . 1 . 2]" 1
911 2 39 CYS QB 2 41 ASP H 4.490 . 4.490 3.182 1.854 4.541 0.051 4 0 "[ . 1 . 2]" 1
912 2 39 CYS HB2 2 40 ASP H 4.400 . 4.400 3.296 1.767 4.131 . 0 0 "[ . 1 . 2]" 1
913 2 39 CYS HB3 2 40 ASP H 4.400 . 4.400 3.850 2.582 4.285 . 0 0 "[ . 1 . 2]" 1
914 2 39 CYS SG 2 62 CYS SG 4.000 4.000 4.000 3.804 3.720 3.994 0.280 11 0 "[ . 1 . 2]" 1
915 2 39 CYS SG 2 65 CYS SG 4.000 4.000 4.000 3.676 3.103 3.908 0.897 9 1 "[ . +1 . 2]" 1
916 2 40 ASP H 2 40 ASP HB2 4.070 . 4.070 3.354 3.133 3.976 . 0 0 "[ . 1 . 2]" 1
917 2 40 ASP H 2 40 ASP QB 3.530 . 3.530 3.085 2.946 3.358 . 0 0 "[ . 1 . 2]" 1
918 2 40 ASP H 2 40 ASP HB3 4.070 . 4.070 3.660 3.418 4.110 0.040 1 0 "[ . 1 . 2]" 1
919 2 40 ASP H 2 41 ASP H 3.550 . 3.550 2.403 1.551 2.943 . 0 0 "[ . 1 . 2]" 1
920 2 40 ASP QB 2 41 ASP H 4.060 . 4.060 3.762 3.233 4.047 . 0 0 "[ . 1 . 2]" 1
921 2 40 ASP HB2 2 41 ASP H 4.790 . 4.790 4.456 3.682 4.601 . 0 0 "[ . 1 . 2]" 1
922 2 40 ASP HB3 2 41 ASP H 4.790 . 4.790 4.090 3.357 4.489 . 0 0 "[ . 1 . 2]" 1
923 2 41 ASP H 2 41 ASP HB2 3.870 . 3.870 2.589 2.262 3.107 . 0 0 "[ . 1 . 2]" 1
924 2 41 ASP H 2 41 ASP QB 3.170 . 3.170 2.431 2.150 2.820 . 0 0 "[ . 1 . 2]" 1
925 2 41 ASP H 2 41 ASP HB3 3.870 . 3.870 3.195 2.599 3.871 0.001 7 0 "[ . 1 . 2]" 1
926 2 41 ASP H 2 42 TRP H 4.420 . 4.420 4.413 4.224 4.477 0.057 1 0 "[ . 1 . 2]" 1
927 2 41 ASP H 2 42 TRP HA 5.110 . 5.110 4.944 4.342 5.205 0.095 18 0 "[ . 1 . 2]" 1
928 2 41 ASP HA 2 42 TRP H 3.110 . 3.110 2.445 2.103 2.781 . 0 0 "[ . 1 . 2]" 1
929 2 41 ASP HA 2 42 TRP HD1 4.180 . 4.180 3.358 2.780 3.673 . 0 0 "[ . 1 . 2]" 1
930 2 41 ASP QB 2 42 TRP H 3.430 . 3.430 2.670 1.597 3.415 . 0 0 "[ . 1 . 2]" 1
931 2 41 ASP HB2 2 42 TRP H 3.910 . 3.910 3.749 3.126 3.940 0.030 4 0 "[ . 1 . 2]" 1
932 2 41 ASP HB3 2 42 TRP H 3.910 . 3.910 2.756 1.602 3.745 . 0 0 "[ . 1 . 2]" 1
933 2 42 TRP H 2 42 TRP HB2 3.400 . 3.400 2.548 2.369 2.706 . 0 0 "[ . 1 . 2]" 1
934 2 42 TRP H 2 42 TRP HB3 3.820 . 3.820 3.717 3.553 3.819 . 0 0 "[ . 1 . 2]" 1
935 2 42 TRP H 2 42 TRP HD1 3.890 . 3.890 3.181 2.366 3.649 . 0 0 "[ . 1 . 2]" 1
936 2 42 TRP HA 2 42 TRP HE3 4.780 . 4.780 3.109 2.810 3.526 . 0 0 "[ . 1 . 2]" 1
937 2 42 TRP HA 2 43 TYR H 3.200 . 3.200 2.080 2.001 2.185 . 0 0 "[ . 1 . 2]" 1
938 2 42 TRP HA 2 43 TYR QD 5.340 . 5.340 3.388 3.009 3.925 . 0 0 "[ . 1 . 2]" 1
939 2 42 TRP HB3 2 42 TRP HE3 3.530 . 3.530 2.498 2.380 2.608 . 0 0 "[ . 1 . 2]" 1
940 2 42 TRP HB3 2 43 TYR H 4.240 . 4.240 3.411 2.883 3.604 . 0 0 "[ . 1 . 2]" 1
941 2 43 TYR H 2 43 TYR HB2 3.640 . 3.640 2.452 2.383 2.541 . 0 0 "[ . 1 . 2]" 1
942 2 43 TYR H 2 43 TYR HB3 4.020 . 4.020 3.636 3.592 3.703 . 0 0 "[ . 1 . 2]" 1
943 2 43 TYR H 2 43 TYR QD 4.120 . 4.120 2.550 2.292 2.949 . 0 0 "[ . 1 . 2]" 1
944 2 43 TYR H 2 48 VAL MG1 4.540 . 4.540 4.571 4.531 4.592 0.052 8 0 "[ . 1 . 2]" 1
945 2 43 TYR H 2 60 TRP HZ3 4.980 . 4.980 4.545 4.197 4.981 0.001 11 0 "[ . 1 . 2]" 1
946 2 43 TYR HA 2 44 HIS H 3.190 . 3.190 2.284 2.201 2.396 . 0 0 "[ . 1 . 2]" 1
947 2 43 TYR HA 2 48 VAL MG1 4.600 . 4.600 4.187 3.986 4.312 . 0 0 "[ . 1 . 2]" 1
948 2 43 TYR HB2 2 44 HIS H 4.250 . 4.250 3.797 3.637 4.027 . 0 0 "[ . 1 . 2]" 1
949 2 43 TYR HB2 2 48 VAL MG1 3.490 . 3.490 2.475 2.398 2.559 . 0 0 "[ . 1 . 2]" 1
950 2 43 TYR HB2 2 48 VAL MG2 3.920 . 3.920 3.185 3.012 3.339 . 0 0 "[ . 1 . 2]" 1
951 2 43 TYR HB2 2 60 TRP HH2 4.460 . 4.460 3.035 2.649 3.344 . 0 0 "[ . 1 . 2]" 1
952 2 43 TYR HB2 2 60 TRP HZ3 4.960 . 4.960 3.936 3.440 4.254 . 0 0 "[ . 1 . 2]" 1
953 2 43 TYR HB3 2 44 HIS H 3.890 . 3.890 2.661 2.448 3.088 . 0 0 "[ . 1 . 2]" 1
954 2 43 TYR HB3 2 48 VAL MG1 3.430 . 3.430 2.117 1.978 2.206 . 0 0 "[ . 1 . 2]" 1
955 2 43 TYR HB3 2 48 VAL MG2 4.380 . 4.380 3.269 3.015 3.458 . 0 0 "[ . 1 . 2]" 1
956 2 43 TYR HB3 2 60 TRP HH2 5.250 . 5.250 4.053 3.632 4.387 . 0 0 "[ . 1 . 2]" 1
957 2 43 TYR QD 2 48 VAL MG1 4.040 . 4.040 2.563 2.377 3.055 . 0 0 "[ . 1 . 2]" 1
958 2 43 TYR QE 2 64 LYS QB 5.080 . 5.080 4.673 4.040 5.211 0.131 9 0 "[ . 1 . 2]" 1
959 2 43 TYR QE 2 64 LYS QE 5.150 . 5.150 4.049 2.567 5.170 0.020 15 0 "[ . 1 . 2]" 1
960 2 44 HIS H 2 44 HIS HB2 3.600 . 3.600 2.557 2.493 2.620 . 0 0 "[ . 1 . 2]" 1
961 2 44 HIS H 2 44 HIS HB3 4.120 . 4.120 3.711 3.681 3.755 . 0 0 "[ . 1 . 2]" 1
962 2 44 HIS H 2 45 TRP H 4.810 . 4.810 4.593 4.551 4.621 . 0 0 "[ . 1 . 2]" 1
963 2 44 HIS H 2 47 CYS H 4.750 . 4.750 4.564 4.406 4.735 . 0 0 "[ . 1 . 2]" 1
964 2 44 HIS H 2 47 CYS HB2 4.190 . 4.190 2.993 2.788 3.215 . 0 0 "[ . 1 . 2]" 1
965 2 44 HIS H 2 47 CYS HB3 4.640 . 4.640 4.115 3.955 4.326 . 0 0 "[ . 1 . 2]" 1
966 2 44 HIS H 2 48 VAL MG1 4.450 . 4.450 3.962 3.740 4.167 . 0 0 "[ . 1 . 2]" 1
967 2 44 HIS H 2 48 VAL MG2 5.420 . 5.420 4.462 4.297 4.588 . 0 0 "[ . 1 . 2]" 1
968 2 44 HIS HA 2 44 HIS HD2 4.090 . 4.090 2.861 2.610 3.050 . 0 0 "[ . 1 . 2]" 1
969 2 44 HIS HA 2 45 TRP H 3.310 . 3.310 2.329 2.276 2.446 . 0 0 "[ . 1 . 2]" 1
970 2 44 HIS HA 2 45 TRP HD1 4.450 . 4.450 3.799 3.612 4.141 . 0 0 "[ . 1 . 2]" 1
971 2 44 HIS HB2 2 47 CYS H 3.510 . 3.510 3.067 2.922 3.241 . 0 0 "[ . 1 . 2]" 1
972 2 44 HIS HB2 2 47 CYS HB2 4.510 . 4.510 2.772 2.568 2.996 . 0 0 "[ . 1 . 2]" 1
973 2 44 HIS HB3 2 45 TRP H 4.140 . 4.140 2.466 2.253 2.711 . 0 0 "[ . 1 . 2]" 1
974 2 44 HIS HB3 2 46 PRO HD2 3.930 . 3.930 2.113 2.043 2.256 . 0 0 "[ . 1 . 2]" 1
975 2 44 HIS HB3 2 46 PRO HG3 4.020 . 4.020 4.004 3.837 4.054 0.034 16 0 "[ . 1 . 2]" 1
976 2 44 HIS HB3 2 47 CYS H 3.780 . 3.780 3.567 3.351 3.728 . 0 0 "[ . 1 . 2]" 1
977 2 44 HIS HB3 2 48 VAL MG2 5.470 . 5.470 5.289 5.094 5.430 . 0 0 "[ . 1 . 2]" 1
978 2 44 HIS HD2 2 45 TRP H 4.800 . 4.800 4.069 3.862 4.345 . 0 0 "[ . 1 . 2]" 1
979 2 44 HIS ND1 2 47 CYS SG 3.800 3.800 3.800 3.729 3.525 3.839 0.275 18 0 "[ . 1 . 2]" 1
980 2 45 TRP H 2 45 TRP HB2 3.910 . 3.910 2.354 2.298 2.404 . 0 0 "[ . 1 . 2]" 1
981 2 45 TRP H 2 45 TRP HB3 3.880 . 3.880 3.568 3.546 3.584 . 0 0 "[ . 1 . 2]" 1
982 2 45 TRP H 2 45 TRP HD1 3.720 . 3.720 2.941 2.811 3.118 . 0 0 "[ . 1 . 2]" 1
983 2 45 TRP H 2 46 PRO HA 5.500 . 5.500 5.552 5.510 5.575 0.075 7 0 "[ . 1 . 2]" 1
984 2 45 TRP H 2 46 PRO HD2 4.090 . 4.090 2.258 2.118 2.356 . 0 0 "[ . 1 . 2]" 1
985 2 45 TRP H 2 46 PRO HD3 3.960 . 3.960 3.358 3.226 3.465 . 0 0 "[ . 1 . 2]" 1
986 2 45 TRP H 2 47 CYS H 4.500 . 4.500 4.066 3.978 4.168 . 0 0 "[ . 1 . 2]" 1
987 2 45 TRP H 2 47 CYS HB2 4.980 . 4.980 5.015 4.999 5.051 0.071 18 0 "[ . 1 . 2]" 1
988 2 45 TRP H 2 48 VAL MG2 4.710 . 4.710 4.341 4.231 4.516 . 0 0 "[ . 1 . 2]" 1
989 2 45 TRP H 2 50 ILE MG 5.500 . 5.500 5.126 4.986 5.324 . 0 0 "[ . 1 . 2]" 1
990 2 45 TRP HA 2 45 TRP HD1 3.680 . 3.680 2.268 2.199 2.369 . 0 0 "[ . 1 . 2]" 1
991 2 45 TRP HA 2 45 TRP HE1 4.660 . 4.660 4.643 4.593 4.676 0.016 7 0 "[ . 1 . 2]" 1
992 2 45 TRP HA 2 48 VAL H 4.060 . 4.060 3.622 3.537 3.749 . 0 0 "[ . 1 . 2]" 1
993 2 45 TRP HA 2 48 VAL MG2 3.530 . 3.530 2.532 2.413 2.644 . 0 0 "[ . 1 . 2]" 1
994 2 45 TRP HA 2 50 ILE H 4.190 . 4.190 3.187 3.049 3.336 . 0 0 "[ . 1 . 2]" 1
995 2 45 TRP HA 2 50 ILE HB 3.950 . 3.950 2.108 2.008 2.232 . 0 0 "[ . 1 . 2]" 1
996 2 45 TRP HA 2 50 ILE MG 4.490 . 4.490 3.495 3.353 3.647 . 0 0 "[ . 1 . 2]" 1
997 2 45 TRP HB2 2 45 TRP HE3 3.710 . 3.710 2.948 2.828 3.086 . 0 0 "[ . 1 . 2]" 1
998 2 45 TRP HB2 2 46 PRO HD3 3.900 . 3.900 2.291 2.169 2.382 . 0 0 "[ . 1 . 2]" 1
999 2 45 TRP HB2 2 50 ILE HB 4.220 . 4.220 4.043 3.849 4.226 0.006 14 0 "[ . 1 . 2]" 1
1000 2 45 TRP HB2 2 50 ILE MG 4.470 . 4.470 4.123 3.929 4.295 . 0 0 "[ . 1 . 2]" 1
1001 2 45 TRP HB3 2 45 TRP HE3 3.710 . 3.710 2.780 2.657 2.864 . 0 0 "[ . 1 . 2]" 1
1002 2 45 TRP HB3 2 46 PRO HD2 3.970 . 3.970 3.883 3.819 3.975 0.005 16 0 "[ . 1 . 2]" 1
1003 2 45 TRP HB3 2 46 PRO HD3 3.870 . 3.870 3.229 3.028 3.341 . 0 0 "[ . 1 . 2]" 1
1004 2 45 TRP HB3 2 48 VAL MG2 4.830 . 4.830 4.378 4.234 4.459 . 0 0 "[ . 1 . 2]" 1
1005 2 45 TRP HB3 2 50 ILE HB 3.060 . 3.060 2.712 2.445 2.958 . 0 0 "[ . 1 . 2]" 1
1006 2 45 TRP HB3 2 50 ILE HG13 5.500 . 5.500 5.052 4.772 5.311 . 0 0 "[ . 1 . 2]" 1
1007 2 45 TRP HB3 2 50 ILE MG 4.200 . 4.200 2.941 2.694 3.204 . 0 0 "[ . 1 . 2]" 1
1008 2 45 TRP HD1 2 48 VAL MG2 4.460 . 4.460 3.667 3.453 3.941 . 0 0 "[ . 1 . 2]" 1
1009 2 45 TRP HD1 2 50 ILE HB 4.720 . 4.720 3.184 3.058 3.341 . 0 0 "[ . 1 . 2]" 1
1010 2 45 TRP HD1 2 50 ILE MD 5.190 . 5.190 5.095 4.946 5.198 0.008 14 0 "[ . 1 . 2]" 1
1011 2 45 TRP HD1 2 50 ILE MG 4.560 . 4.560 3.315 3.175 3.453 . 0 0 "[ . 1 . 2]" 1
1012 2 45 TRP HE1 2 50 ILE HB 5.320 . 5.320 4.666 4.507 4.798 . 0 0 "[ . 1 . 2]" 1
1013 2 45 TRP HE1 2 50 ILE MD 5.290 . 5.290 5.332 5.281 5.354 0.064 1 0 "[ . 1 . 2]" 1
1014 2 45 TRP HE1 2 50 ILE MG 4.860 . 4.860 3.261 3.079 3.383 . 0 0 "[ . 1 . 2]" 1
1015 2 45 TRP HE1 2 53 ALA MB 4.290 . 4.290 4.311 4.254 4.364 0.074 17 0 "[ . 1 . 2]" 1
1016 2 45 TRP HE3 2 46 PRO HD3 4.580 . 4.580 4.432 4.240 4.588 0.008 14 0 "[ . 1 . 2]" 1
1017 2 45 TRP HE3 2 50 ILE MG 3.670 . 3.670 3.454 3.327 3.573 . 0 0 "[ . 1 . 2]" 1
1018 2 45 TRP HE3 2 51 MET HA 4.080 . 4.080 3.246 2.636 3.684 . 0 0 "[ . 1 . 2]" 1
1019 2 45 TRP HH2 2 53 ALA H 3.640 . 3.640 2.882 2.618 3.259 . 0 0 "[ . 1 . 2]" 1
1020 2 45 TRP HH2 2 53 ALA HA 3.870 . 3.870 3.842 3.651 3.923 0.053 3 0 "[ . 1 . 2]" 1
1021 2 45 TRP HH2 2 53 ALA MB 3.390 . 3.390 2.200 2.036 2.632 . 0 0 "[ . 1 . 2]" 1
1022 2 45 TRP HZ2 2 50 ILE MG 5.010 . 5.010 3.998 3.820 4.168 . 0 0 "[ . 1 . 2]" 1
1023 2 45 TRP HZ2 2 53 ALA H 4.520 . 4.520 4.106 3.683 4.409 . 0 0 "[ . 1 . 2]" 1
1024 2 45 TRP HZ2 2 53 ALA HA 4.320 . 4.320 3.099 2.753 3.348 . 0 0 "[ . 1 . 2]" 1
1025 2 45 TRP HZ2 2 53 ALA MB 3.530 . 3.530 2.112 2.023 2.210 . 0 0 "[ . 1 . 2]" 1
1026 2 45 TRP HZ3 2 50 ILE MG 4.350 . 4.350 4.357 4.231 4.429 0.079 9 0 "[ . 1 . 2]" 1
1027 2 45 TRP HZ3 2 51 MET HA 4.750 . 4.750 4.640 3.940 4.799 0.049 16 0 "[ . 1 . 2]" 1
1028 2 45 TRP HZ3 2 52 ALA HA 3.510 . 3.510 2.943 2.722 3.034 . 0 0 "[ . 1 . 2]" 1
1029 2 45 TRP HZ3 2 52 ALA MB 4.490 . 4.490 4.469 4.254 4.539 0.049 5 0 "[ . 1 . 2]" 1
1030 2 45 TRP HZ3 2 53 ALA H 4.460 . 4.460 3.868 3.630 4.211 . 0 0 "[ . 1 . 2]" 1
1031 2 45 TRP HZ3 2 53 ALA HA 5.500 . 5.500 5.220 5.056 5.381 . 0 0 "[ . 1 . 2]" 1
1032 2 46 PRO HA 2 48 VAL H 4.540 . 4.540 4.250 3.945 4.548 0.008 12 0 "[ . 1 . 2]" 1
1033 2 46 PRO HA 2 49 GLY H 3.770 . 3.770 3.453 3.322 3.667 . 0 0 "[ . 1 . 2]" 1
1034 2 46 PRO HA 2 49 GLY QA 4.840 . 4.840 3.815 3.580 4.041 . 0 0 "[ . 1 . 2]" 1
1035 2 46 PRO HA 2 50 ILE H 4.280 . 4.280 3.925 3.694 4.212 . 0 0 "[ . 1 . 2]" 1
1036 2 46 PRO HB2 2 47 CYS H 3.900 . 3.900 3.573 3.410 3.810 . 0 0 "[ . 1 . 2]" 1
1037 2 46 PRO HB3 2 47 CYS H 4.490 . 4.490 4.302 4.230 4.421 . 0 0 "[ . 1 . 2]" 1
1038 2 46 PRO HD2 2 47 CYS H 4.310 . 4.310 2.990 2.887 3.110 . 0 0 "[ . 1 . 2]" 1
1039 2 46 PRO HD3 2 47 CYS H 4.340 . 4.340 4.007 3.952 4.071 . 0 0 "[ . 1 . 2]" 1
1040 2 46 PRO HG2 2 47 CYS H 3.730 . 3.730 2.740 2.567 3.029 . 0 0 "[ . 1 . 2]" 1
1041 2 46 PRO HG3 2 47 CYS H 4.510 . 4.510 4.211 4.079 4.426 . 0 0 "[ . 1 . 2]" 1
1042 2 47 CYS H 2 47 CYS HB2 3.510 . 3.510 2.389 2.296 2.449 . 0 0 "[ . 1 . 2]" 1
1043 2 47 CYS H 2 47 CYS HB3 3.740 . 3.740 3.500 3.419 3.560 . 0 0 "[ . 1 . 2]" 1
1044 2 47 CYS H 2 48 VAL H 3.200 . 3.200 2.436 2.291 2.527 . 0 0 "[ . 1 . 2]" 1
1045 2 47 CYS H 2 48 VAL MG1 4.650 . 4.650 4.294 4.079 4.472 . 0 0 "[ . 1 . 2]" 1
1046 2 47 CYS H 2 48 VAL MG2 3.750 . 3.750 3.694 3.566 3.771 0.021 8 0 "[ . 1 . 2]" 1
1047 2 47 CYS H 2 49 GLY H 4.180 . 4.180 3.713 3.577 3.781 . 0 0 "[ . 1 . 2]" 1
1048 2 47 CYS H 2 50 ILE H 4.720 . 4.720 4.728 4.618 4.790 0.070 14 0 "[ . 1 . 2]" 1
1049 2 47 CYS HA 2 48 VAL MG1 5.130 . 5.130 4.573 4.446 4.674 . 0 0 "[ . 1 . 2]" 1
1050 2 47 CYS HA 2 48 VAL MG2 5.500 . 5.500 5.033 4.970 5.109 . 0 0 "[ . 1 . 2]" 1
1051 2 47 CYS HA 2 49 GLY H 4.800 . 4.800 4.464 4.327 4.636 . 0 0 "[ . 1 . 2]" 1
1052 2 47 CYS HB2 2 48 VAL H 4.380 . 4.380 2.742 2.472 3.087 . 0 0 "[ . 1 . 2]" 1
1053 2 47 CYS HB2 2 48 VAL MG1 4.490 . 4.490 2.916 2.754 3.195 . 0 0 "[ . 1 . 2]" 1
1054 2 47 CYS HB2 2 48 VAL MG2 4.900 . 4.900 3.564 3.450 3.686 . 0 0 "[ . 1 . 2]" 1
1055 2 47 CYS HB3 2 48 VAL H 4.470 . 4.470 3.871 3.687 4.107 . 0 0 "[ . 1 . 2]" 1
1056 2 47 CYS HB3 2 48 VAL MG1 3.770 . 3.770 3.623 3.483 3.788 0.018 4 0 "[ . 1 . 2]" 1
1057 2 48 VAL H 2 48 VAL MG1 4.010 . 4.010 2.734 2.514 2.980 . 0 0 "[ . 1 . 2]" 1
1058 2 48 VAL H 2 48 VAL MG2 3.060 . 3.060 2.032 1.960 2.157 . 0 0 "[ . 1 . 2]" 1
1059 2 48 VAL H 2 49 GLY H 3.230 . 3.230 2.183 2.025 2.319 . 0 0 "[ . 1 . 2]" 1
1060 2 48 VAL H 2 49 GLY QA 5.010 . 5.010 4.192 4.060 4.314 . 0 0 "[ . 1 . 2]" 1
1061 2 48 VAL H 2 50 ILE H 3.900 . 3.900 3.433 3.221 3.577 . 0 0 "[ . 1 . 2]" 1
1062 2 48 VAL H 2 50 ILE HB 4.850 . 4.850 4.666 4.504 4.810 . 0 0 "[ . 1 . 2]" 1
1063 2 48 VAL HA 2 48 VAL MG1 3.270 . 3.270 2.288 2.249 2.327 . 0 0 "[ . 1 . 2]" 1
1064 2 48 VAL HB 2 49 GLY H 4.530 . 4.530 4.082 3.979 4.208 . 0 0 "[ . 1 . 2]" 1
1065 2 48 VAL HB 2 50 ILE H 4.650 . 4.650 4.572 4.202 4.731 0.081 11 0 "[ . 1 . 2]" 1
1066 2 48 VAL HB 2 60 TRP HE1 4.600 . 4.600 4.375 3.693 4.616 0.016 20 0 "[ . 1 . 2]" 1
1067 2 48 VAL HB 2 60 TRP HH2 4.930 . 4.930 3.215 2.632 3.793 . 0 0 "[ . 1 . 2]" 1
1068 2 48 VAL HB 2 60 TRP HZ2 3.410 . 3.410 2.041 1.905 2.185 . 0 0 "[ . 1 . 2]" 1
1069 2 48 VAL HB 2 63 PRO QD 3.340 . 3.340 2.817 2.243 3.261 . 0 0 "[ . 1 . 2]" 1
1070 2 48 VAL MG1 2 60 TRP HH2 3.480 . 3.480 2.044 1.949 2.213 . 0 0 "[ . 1 . 2]" 1
1071 2 48 VAL MG1 2 60 TRP HZ2 3.400 . 3.400 2.984 2.450 3.350 . 0 0 "[ . 1 . 2]" 1
1072 2 48 VAL MG1 2 60 TRP HZ3 4.520 . 4.520 4.112 3.911 4.435 . 0 0 "[ . 1 . 2]" 1
1073 2 48 VAL MG1 2 62 CYS HA 4.210 . 4.210 3.549 3.367 3.788 . 0 0 "[ . 1 . 2]" 1
1074 2 48 VAL MG1 2 62 CYS HB2 4.310 . 4.310 3.325 2.719 3.639 . 0 0 "[ . 1 . 2]" 1
1075 2 48 VAL MG1 2 62 CYS HB3 4.580 . 4.580 3.766 3.169 4.268 . 0 0 "[ . 1 . 2]" 1
1076 2 48 VAL MG1 2 63 PRO QD 3.720 . 3.720 2.372 2.144 2.741 . 0 0 "[ . 1 . 2]" 1
1077 2 48 VAL MG1 2 63 PRO HG2 3.940 . 3.940 3.493 3.230 3.960 0.020 15 0 "[ . 1 . 2]" 1
1078 2 48 VAL MG1 2 63 PRO HG3 3.950 . 3.950 3.046 2.488 3.755 . 0 0 "[ . 1 . 2]" 1
1079 2 48 VAL MG2 2 49 GLY H 3.720 . 3.720 2.726 2.538 2.912 . 0 0 "[ . 1 . 2]" 1
1080 2 48 VAL MG2 2 49 GLY QA 4.510 . 4.510 3.751 3.605 3.910 . 0 0 "[ . 1 . 2]" 1
1081 2 48 VAL MG2 2 50 ILE H 3.580 . 3.580 2.414 1.998 2.620 . 0 0 "[ . 1 . 2]" 1
1082 2 48 VAL MG2 2 50 ILE HA 4.580 . 4.580 4.098 3.944 4.229 . 0 0 "[ . 1 . 2]" 1
1083 2 48 VAL MG2 2 50 ILE HB 3.890 . 3.890 2.783 2.652 2.948 . 0 0 "[ . 1 . 2]" 1
1084 2 48 VAL MG2 2 50 ILE MD 3.280 . 3.280 3.319 3.299 3.354 0.074 1 0 "[ . 1 . 2]" 1
1085 2 48 VAL MG2 2 50 ILE MG 3.940 . 3.940 3.826 3.735 3.939 . 0 0 "[ . 1 . 2]" 1
1086 2 48 VAL MG2 2 60 TRP HE1 4.110 . 4.110 4.052 3.725 4.146 0.036 2 0 "[ . 1 . 2]" 1
1087 2 48 VAL MG2 2 60 TRP HZ2 3.040 . 3.040 2.350 2.208 2.502 . 0 0 "[ . 1 . 2]" 1
1088 2 48 VAL MG2 2 60 TRP HZ3 5.110 . 5.110 4.359 4.113 4.713 . 0 0 "[ . 1 . 2]" 1
1089 2 49 GLY H 2 50 ILE H 3.410 . 3.410 2.100 2.004 2.209 . 0 0 "[ . 1 . 2]" 1
1090 2 49 GLY H 2 50 ILE HA 4.820 . 4.820 4.821 4.749 4.874 0.054 19 0 "[ . 1 . 2]" 1
1091 2 49 GLY QA 2 50 ILE HA 4.430 . 4.430 4.005 3.946 4.046 . 0 0 "[ . 1 . 2]" 1
1092 2 50 ILE H 2 50 ILE HB 4.020 . 4.020 2.460 2.388 2.587 . 0 0 "[ . 1 . 2]" 1
1093 2 50 ILE H 2 50 ILE MD 4.150 . 4.150 3.808 3.699 3.916 . 0 0 "[ . 1 . 2]" 1
1094 2 50 ILE H 2 50 ILE HG12 3.710 . 3.710 2.722 2.547 2.876 . 0 0 "[ . 1 . 2]" 1
1095 2 50 ILE H 2 50 ILE HG13 4.070 . 4.070 3.933 3.790 4.070 . 0 0 "[ . 1 . 2]" 1
1096 2 50 ILE H 2 50 ILE MG 3.910 . 3.910 3.781 3.752 3.838 . 0 0 "[ . 1 . 2]" 1
1097 2 50 ILE H 2 51 MET H 4.840 . 4.840 4.417 4.288 4.485 . 0 0 "[ . 1 . 2]" 1
1098 2 50 ILE HA 2 50 ILE MD 3.490 . 3.490 2.154 2.066 2.285 . 0 0 "[ . 1 . 2]" 1
1099 2 50 ILE HA 2 50 ILE HG12 4.020 . 4.020 2.937 2.848 3.022 . 0 0 "[ . 1 . 2]" 1
1100 2 50 ILE HA 2 50 ILE HG13 4.220 . 4.220 3.785 3.741 3.812 . 0 0 "[ . 1 . 2]" 1
1101 2 50 ILE HA 2 50 ILE MG 3.540 . 3.540 2.516 2.466 2.563 . 0 0 "[ . 1 . 2]" 1
1102 2 50 ILE HA 2 51 MET H 3.180 . 3.180 2.181 2.074 2.265 . 0 0 "[ . 1 . 2]" 1
1103 2 50 ILE HA 2 51 MET QB 4.700 . 4.700 4.399 4.245 4.495 . 0 0 "[ . 1 . 2]" 1
1104 2 50 ILE HA 2 51 MET QG 4.630 . 4.630 3.871 3.601 4.683 0.053 11 0 "[ . 1 . 2]" 1
1105 2 50 ILE HA 2 52 ALA H 3.960 . 3.960 3.689 3.445 3.831 . 0 0 "[ . 1 . 2]" 1
1106 2 50 ILE HB 2 50 ILE MD 3.550 . 3.550 3.231 3.222 3.246 . 0 0 "[ . 1 . 2]" 1
1107 2 50 ILE HB 2 51 MET H 4.320 . 4.320 4.200 4.074 4.337 0.017 18 0 "[ . 1 . 2]" 1
1108 2 50 ILE HB 2 60 TRP HZ2 5.380 . 5.380 5.417 5.221 5.491 0.111 1 0 "[ . 1 . 2]" 1
1109 2 50 ILE MD 2 50 ILE MG 2.950 . 2.950 1.953 1.886 1.989 . 0 0 "[ . 1 . 2]" 1
1110 2 50 ILE MD 2 51 MET H 4.300 . 4.300 3.655 3.454 3.785 . 0 0 "[ . 1 . 2]" 1
1111 2 50 ILE MD 2 52 ALA H 4.420 . 4.420 4.230 4.042 4.439 0.019 3 0 "[ . 1 . 2]" 1
1112 2 50 ILE MD 2 53 ALA HA 5.110 . 5.110 4.551 4.272 4.819 . 0 0 "[ . 1 . 2]" 1
1113 2 50 ILE MD 2 54 PRO HD2 4.580 . 4.580 4.098 3.806 4.399 . 0 0 "[ . 1 . 2]" 1
1114 2 50 ILE MD 2 54 PRO HD3 4.090 . 4.090 3.007 2.581 3.374 . 0 0 "[ . 1 . 2]" 1
1115 2 50 ILE MD 2 54 PRO HG2 4.490 . 4.490 3.640 2.908 4.491 0.001 10 0 "[ . 1 . 2]" 1
1116 2 50 ILE MD 2 54 PRO HG3 4.250 . 4.250 2.701 1.810 3.176 . 0 0 "[ . 1 . 2]" 1
1117 2 50 ILE MD 2 60 TRP HD1 3.940 . 3.940 3.068 2.751 3.255 . 0 0 "[ . 1 . 2]" 1
1118 2 50 ILE MD 2 60 TRP HE1 3.700 . 3.700 2.179 1.923 2.363 . 0 0 "[ . 1 . 2]" 1
1119 2 50 ILE MD 2 60 TRP HZ2 5.020 . 5.020 3.592 3.334 4.008 . 0 0 "[ . 1 . 2]" 1
1120 2 50 ILE HG12 2 50 ILE MG 3.660 . 3.660 3.203 3.194 3.212 . 0 0 "[ . 1 . 2]" 1
1121 2 50 ILE HG13 2 50 ILE MG 3.630 . 3.630 2.415 2.376 2.444 . 0 0 "[ . 1 . 2]" 1
1122 2 50 ILE HG13 2 54 PRO HD3 5.500 . 5.500 4.516 4.184 4.927 . 0 0 "[ . 1 . 2]" 1
1123 2 50 ILE HG13 2 60 TRP HD1 5.500 . 5.500 5.258 4.947 5.454 . 0 0 "[ . 1 . 2]" 1
1124 2 50 ILE MG 2 51 MET H 3.920 . 3.920 2.686 2.488 2.969 . 0 0 "[ . 1 . 2]" 1
1125 2 50 ILE MG 2 52 ALA H 3.280 . 3.280 2.643 2.464 2.836 . 0 0 "[ . 1 . 2]" 1
1126 2 50 ILE MG 2 52 ALA HA 4.200 . 4.200 3.905 3.694 4.108 . 0 0 "[ . 1 . 2]" 1
1127 2 50 ILE MG 2 52 ALA MB 4.720 . 4.720 4.056 3.958 4.149 . 0 0 "[ . 1 . 2]" 1
1128 2 50 ILE MG 2 53 ALA H 4.790 . 4.790 4.304 4.042 4.551 . 0 0 "[ . 1 . 2]" 1
1129 2 50 ILE MG 2 53 ALA HA 4.270 . 4.270 3.106 2.900 3.307 . 0 0 "[ . 1 . 2]" 1
1130 2 50 ILE MG 2 54 PRO HD2 4.520 . 4.520 3.694 3.434 3.924 . 0 0 "[ . 1 . 2]" 1
1131 2 50 ILE MG 2 54 PRO HD3 4.450 . 4.450 2.588 2.368 2.804 . 0 0 "[ . 1 . 2]" 1
1132 2 50 ILE MG 2 54 PRO HG2 5.210 . 5.210 4.346 3.832 4.815 . 0 0 "[ . 1 . 2]" 1
1133 2 50 ILE MG 2 54 PRO HG3 4.800 . 4.800 3.553 2.570 4.000 . 0 0 "[ . 1 . 2]" 1
1134 2 51 MET H 2 51 MET HB2 4.050 . 4.050 3.083 2.495 3.882 . 0 0 "[ . 1 . 2]" 1
1135 2 51 MET H 2 51 MET QB 3.480 . 3.480 2.725 2.455 3.089 . 0 0 "[ . 1 . 2]" 1
1136 2 51 MET H 2 51 MET HB3 4.050 . 4.050 3.498 3.059 3.820 . 0 0 "[ . 1 . 2]" 1
1137 2 51 MET H 2 51 MET HG2 3.990 . 3.990 3.208 2.252 4.063 0.073 11 0 "[ . 1 . 2]" 1
1138 2 51 MET H 2 51 MET HG3 3.990 . 3.990 3.177 2.624 4.049 0.059 9 0 "[ . 1 . 2]" 1
1139 2 51 MET H 2 52 ALA H 3.060 . 3.060 1.906 1.735 2.150 . 0 0 "[ . 1 . 2]" 1
1140 2 51 MET H 2 52 ALA MB 4.480 . 4.480 3.981 3.759 4.213 . 0 0 "[ . 1 . 2]" 1
1141 2 51 MET HA 2 51 MET HG2 4.160 . 4.160 3.148 2.475 3.825 . 0 0 "[ . 1 . 2]" 1
1142 2 51 MET HA 2 51 MET HG3 4.160 . 4.160 3.396 2.606 3.812 . 0 0 "[ . 1 . 2]" 1
1143 2 51 MET QB 2 52 ALA H 3.680 . 3.680 3.206 2.665 3.694 0.014 20 0 "[ . 1 . 2]" 1
1144 2 51 MET QB 2 52 ALA MB 4.460 . 4.460 3.641 3.263 4.073 . 0 0 "[ . 1 . 2]" 1
1145 2 51 MET HB2 2 52 ALA H 4.230 . 4.230 3.420 2.726 4.165 . 0 0 "[ . 1 . 2]" 1
1146 2 51 MET HB3 2 52 ALA H 4.230 . 4.230 4.026 3.759 4.235 0.005 6 0 "[ . 1 . 2]" 1
1147 2 52 ALA H 2 52 ALA MB 3.160 . 3.160 2.557 2.502 2.602 . 0 0 "[ . 1 . 2]" 1
1148 2 52 ALA H 2 53 ALA H 4.580 . 4.580 4.294 4.248 4.366 . 0 0 "[ . 1 . 2]" 1
1149 2 52 ALA HA 2 53 ALA H 2.970 . 2.970 2.277 2.192 2.442 . 0 0 "[ . 1 . 2]" 1
1150 2 52 ALA HA 2 53 ALA MB 4.230 . 4.230 3.978 3.932 4.085 . 0 0 "[ . 1 . 2]" 1
1151 2 52 ALA MB 2 53 ALA H 3.100 . 3.100 2.648 2.425 2.773 . 0 0 "[ . 1 . 2]" 1
1152 2 53 ALA H 2 53 ALA MB 2.870 . 2.870 2.237 2.200 2.297 . 0 0 "[ . 1 . 2]" 1
1153 2 53 ALA H 2 54 PRO HD3 5.330 . 5.330 4.485 4.362 4.723 . 0 0 "[ . 1 . 2]" 1
1154 2 53 ALA HA 2 54 PRO HD2 3.190 . 3.190 2.529 2.186 2.824 . 0 0 "[ . 1 . 2]" 1
1155 2 53 ALA HA 2 54 PRO HD3 3.290 . 3.290 2.071 1.907 2.441 . 0 0 "[ . 1 . 2]" 1
1156 2 53 ALA HA 2 54 PRO HG2 4.590 . 4.590 4.461 4.326 4.588 . 0 0 "[ . 1 . 2]" 1
1157 2 53 ALA HA 2 54 PRO HG3 4.470 . 4.470 4.234 4.067 4.471 0.001 10 0 "[ . 1 . 2]" 1
1158 2 53 ALA MB 2 54 PRO HD2 3.490 . 3.490 3.221 2.887 3.507 0.017 17 0 "[ . 1 . 2]" 1
1159 2 53 ALA MB 2 54 PRO HD3 4.200 . 4.200 3.630 3.434 3.939 . 0 0 "[ . 1 . 2]" 1
1160 2 54 PRO HA 2 55 PRO HD2 3.230 . 3.230 2.710 2.449 3.129 . 0 0 "[ . 1 . 2]" 1
1161 2 54 PRO HA 2 55 PRO HD3 3.600 . 3.600 2.280 1.946 2.525 . 0 0 "[ . 1 . 2]" 1
1162 2 54 PRO HA 2 55 PRO HG2 4.740 . 4.740 4.680 4.577 4.786 0.046 8 0 "[ . 1 . 2]" 1
1163 2 54 PRO HA 2 55 PRO QG 4.150 . 4.150 4.060 3.890 4.190 0.040 16 0 "[ . 1 . 2]" 1
1164 2 54 PRO HA 2 55 PRO HG3 4.740 . 4.740 4.466 4.161 4.719 . 0 0 "[ . 1 . 2]" 1
1165 2 54 PRO QB 2 55 PRO HD2 3.600 . 3.600 2.332 2.148 2.676 . 0 0 "[ . 1 . 2]" 1
1166 2 54 PRO HB2 2 55 PRO HD2 4.270 . 4.270 2.517 2.292 2.922 . 0 0 "[ . 1 . 2]" 1
1167 2 54 PRO HB2 2 55 PRO HD3 3.850 . 3.850 3.672 3.107 3.887 0.037 16 0 "[ . 1 . 2]" 1
1168 2 54 PRO HB3 2 55 PRO HD2 4.270 . 4.270 2.935 2.210 3.751 . 0 0 "[ . 1 . 2]" 1
1169 2 54 PRO HB3 2 55 PRO HD3 3.850 . 3.850 3.694 2.947 3.930 0.080 17 0 "[ . 1 . 2]" 1
1170 2 54 PRO HG2 2 55 PRO HD2 4.640 . 4.640 4.624 4.348 4.694 0.054 14 0 "[ . 1 . 2]" 1
1171 2 54 PRO HG3 2 60 TRP HD1 4.780 . 4.780 4.299 3.922 4.786 0.006 1 0 "[ . 1 . 2]" 1
1172 2 55 PRO HA 2 56 GLU H 2.840 . 2.840 2.231 2.070 2.418 . 0 0 "[ . 1 . 2]" 1
1173 2 55 PRO HA 2 56 GLU HA 4.410 . 4.410 4.318 4.242 4.458 0.048 17 0 "[ . 1 . 2]" 1
1174 2 55 PRO HB2 2 56 GLU H 3.930 . 3.930 3.245 2.692 3.606 . 0 0 "[ . 1 . 2]" 1
1175 2 55 PRO HB2 2 57 GLU H 4.200 . 4.200 2.559 2.117 3.053 . 0 0 "[ . 1 . 2]" 1
1176 2 55 PRO HB2 2 58 MET H 3.890 . 3.890 2.892 2.326 3.421 . 0 0 "[ . 1 . 2]" 1
1177 2 55 PRO HB3 2 56 GLU H 3.940 . 3.940 3.543 2.911 3.943 0.003 17 0 "[ . 1 . 2]" 1
1178 2 55 PRO HB3 2 57 GLU H 4.390 . 4.390 3.761 2.678 4.542 0.152 17 0 "[ . 1 . 2]" 1
1179 2 55 PRO HB3 2 58 MET H 4.630 . 4.630 4.439 3.691 4.695 0.065 6 0 "[ . 1 . 2]" 1
1180 2 55 PRO QG 2 57 GLU H 4.320 . 4.320 4.148 3.343 4.444 0.124 17 0 "[ . 1 . 2]" 1
1181 2 56 GLU H 2 56 GLU HB2 3.680 . 3.680 3.269 2.455 3.663 . 0 0 "[ . 1 . 2]" 1
1182 2 56 GLU H 2 56 GLU HB3 3.680 . 3.680 3.047 2.576 3.672 . 0 0 "[ . 1 . 2]" 1
1183 2 56 GLU H 2 56 GLU HG2 3.900 . 3.900 2.774 1.931 3.625 . 0 0 "[ . 1 . 2]" 1
1184 2 56 GLU H 2 56 GLU QG 3.370 . 3.370 2.283 1.913 3.199 . 0 0 "[ . 1 . 2]" 1
1185 2 56 GLU H 2 56 GLU HG3 3.900 . 3.900 2.943 2.063 3.793 . 0 0 "[ . 1 . 2]" 1
1186 2 56 GLU H 2 57 GLU H 3.540 . 3.540 2.517 2.214 2.790 . 0 0 "[ . 1 . 2]" 1
1187 2 56 GLU H 2 57 GLU QG 4.650 . 4.650 3.665 3.236 3.892 . 0 0 "[ . 1 . 2]" 1
1188 2 56 GLU H 2 58 MET H 4.470 . 4.470 3.964 2.210 4.193 . 0 0 "[ . 1 . 2]" 1
1189 2 56 GLU HA 2 56 GLU HG2 4.180 . 4.180 3.469 2.408 4.225 0.045 12 0 "[ . 1 . 2]" 1
1190 2 56 GLU HA 2 56 GLU QG 3.640 . 3.640 3.079 2.339 3.538 . 0 0 "[ . 1 . 2]" 1
1191 2 56 GLU HA 2 56 GLU HG3 4.180 . 4.180 3.582 2.600 4.248 0.068 3 0 "[ . 1 . 2]" 1
1192 2 56 GLU HA 2 58 MET H 4.270 . 4.270 3.592 2.989 4.362 0.092 17 0 "[ . 1 . 2]" 1
1193 2 56 GLU QB 2 57 GLU H 3.770 . 3.770 3.356 1.696 3.808 0.038 10 0 "[ . 1 . 2]" 1
1194 2 56 GLU HB2 2 57 GLU H 4.430 . 4.430 3.623 1.704 4.247 . 0 0 "[ . 1 . 2]" 1
1195 2 56 GLU HB3 2 57 GLU H 4.430 . 4.430 4.104 3.054 4.428 . 0 0 "[ . 1 . 2]" 1
1196 2 56 GLU QG 2 57 GLU H 4.140 . 4.140 3.276 2.033 4.222 0.082 16 0 "[ . 1 . 2]" 1
1197 2 56 GLU HG2 2 57 GLU H 5.010 . 5.010 3.809 2.561 5.028 0.018 9 0 "[ . 1 . 2]" 1
1198 2 56 GLU HG3 2 57 GLU H 5.010 . 5.010 3.752 2.111 4.631 . 0 0 "[ . 1 . 2]" 1
1199 2 57 GLU H 2 57 GLU HB2 4.060 . 4.060 3.116 2.429 3.687 . 0 0 "[ . 1 . 2]" 1
1200 2 57 GLU H 2 57 GLU QB 3.190 . 3.190 2.601 2.391 2.908 . 0 0 "[ . 1 . 2]" 1
1201 2 57 GLU H 2 57 GLU HB3 4.060 . 4.060 3.168 2.675 3.640 . 0 0 "[ . 1 . 2]" 1
1202 2 57 GLU H 2 57 GLU HG2 3.940 . 3.940 2.425 1.788 3.504 . 0 0 "[ . 1 . 2]" 1
1203 2 57 GLU H 2 57 GLU HG3 3.940 . 3.940 2.884 2.102 3.785 . 0 0 "[ . 1 . 2]" 1
1204 2 57 GLU H 2 58 MET H 3.270 . 3.270 2.381 1.540 2.657 . 0 0 "[ . 1 . 2]" 1
1205 2 57 GLU HA 2 57 GLU HG2 3.980 . 3.980 3.276 2.553 3.785 . 0 0 "[ . 1 . 2]" 1
1206 2 57 GLU HA 2 57 GLU QG 3.470 . 3.470 3.020 2.440 3.361 . 0 0 "[ . 1 . 2]" 1
1207 2 57 GLU HA 2 57 GLU HG3 3.980 . 3.980 3.594 2.981 3.879 . 0 0 "[ . 1 . 2]" 1
1208 2 57 GLU QG 2 58 MET H 4.110 . 4.110 3.385 2.215 4.175 0.065 18 0 "[ . 1 . 2]" 1
1209 2 58 MET H 2 58 MET HB2 3.210 . 3.210 2.904 2.682 3.357 0.147 17 0 "[ . 1 . 2]" 1
1210 2 58 MET H 2 58 MET HB3 3.210 . 3.210 2.530 2.277 3.584 0.374 18 0 "[ . 1 . 2]" 1
1211 2 58 MET H 2 58 MET QG 4.090 . 4.090 3.927 2.466 4.166 0.076 17 0 "[ . 1 . 2]" 1
1212 2 58 MET H 2 59 GLN H 4.600 . 4.600 4.160 1.593 4.534 . 0 0 "[ . 1 . 2]" 1
1213 2 58 MET HA 2 58 MET QG 3.450 . 3.450 2.793 2.328 3.116 . 0 0 "[ . 1 . 2]" 1
1214 2 58 MET HA 2 59 GLN H 2.820 . 2.820 2.309 2.057 3.111 0.291 17 0 "[ . 1 . 2]" 1
1215 2 58 MET HB2 2 59 GLN H 3.970 . 3.970 3.880 2.178 4.051 0.081 13 0 "[ . 1 . 2]" 1
1216 2 58 MET HB3 2 59 GLN H 3.970 . 3.970 3.719 1.685 4.045 0.075 9 0 "[ . 1 . 2]" 1
1217 2 58 MET QG 2 59 GLN H 3.610 . 3.610 2.761 2.222 3.675 0.065 17 0 "[ . 1 . 2]" 1
1218 2 59 GLN H 2 59 GLN HB2 3.430 . 3.430 2.664 2.494 3.565 0.135 18 0 "[ . 1 . 2]" 1
1219 2 59 GLN H 2 59 GLN HB3 3.910 . 3.910 3.718 3.616 3.997 0.087 15 0 "[ . 1 . 2]" 1
1220 2 59 GLN H 2 59 GLN HG2 4.240 . 4.240 3.256 2.368 3.919 . 0 0 "[ . 1 . 2]" 1
1221 2 59 GLN H 2 59 GLN QG 3.380 . 3.380 2.582 2.339 2.873 . 0 0 "[ . 1 . 2]" 1
1222 2 59 GLN H 2 59 GLN HG3 4.240 . 4.240 3.128 2.506 4.329 0.089 18 0 "[ . 1 . 2]" 1
1223 2 59 GLN H 2 60 TRP H 4.630 . 4.630 4.436 3.786 4.557 . 0 0 "[ . 1 . 2]" 1
1224 2 59 GLN HA 2 59 GLN HG2 3.720 . 3.720 2.674 2.371 3.415 . 0 0 "[ . 1 . 2]" 1
1225 2 59 GLN HA 2 59 GLN HG3 3.720 . 3.720 3.347 3.040 3.823 0.103 10 0 "[ . 1 . 2]" 1
1226 2 59 GLN HA 2 60 TRP H 3.200 . 3.200 2.300 1.984 3.264 0.064 17 0 "[ . 1 . 2]" 1
1227 2 59 GLN HB2 2 59 GLN HE21 4.570 . 4.570 3.476 2.713 4.023 . 0 0 "[ . 1 . 2]" 1
1228 2 59 GLN HB2 2 60 TRP H 3.680 . 3.680 3.511 1.855 3.804 0.124 19 0 "[ . 1 . 2]" 1
1229 2 59 GLN HB2 2 61 PHE QD 5.010 . 5.010 4.926 4.612 5.116 0.106 18 0 "[ . 1 . 2]" 1
1230 2 59 GLN HB3 2 59 GLN HE22 4.480 . 4.480 3.669 3.346 4.232 . 0 0 "[ . 1 . 2]" 1
1231 2 59 GLN HB3 2 60 TRP H 3.650 . 3.650 2.463 1.653 2.854 . 0 0 "[ . 1 . 2]" 1
1232 2 59 GLN HB3 2 60 TRP HA 5.460 . 5.460 4.271 3.849 4.471 . 0 0 "[ . 1 . 2]" 1
1233 2 59 GLN HB3 2 61 PHE QD 4.560 . 4.560 4.379 3.874 4.588 0.028 16 0 "[ . 1 . 2]" 1
1234 2 59 GLN HB3 2 61 PHE QE 3.890 . 3.890 3.179 2.654 3.426 . 0 0 "[ . 1 . 2]" 1
1235 2 59 GLN HB3 2 61 PHE HZ 4.070 . 4.070 3.078 2.550 3.637 . 0 0 "[ . 1 . 2]" 1
1236 2 59 GLN HE21 2 60 TRP H 4.250 . 4.250 4.080 2.932 4.456 0.206 18 0 "[ . 1 . 2]" 1
1237 2 59 GLN QG 2 60 TRP H 4.430 . 4.430 3.900 3.546 4.459 0.029 2 0 "[ . 1 . 2]" 1
1238 2 59 GLN QG 2 61 PHE QE 4.800 . 4.800 4.344 3.574 4.761 . 0 0 "[ . 1 . 2]" 1
1239 2 59 GLN QG 2 61 PHE HZ 4.800 . 4.800 4.100 3.041 4.841 0.041 20 0 "[ . 1 . 2]" 1
1240 2 60 TRP H 2 60 TRP HB2 3.950 . 3.950 3.398 3.315 3.491 . 0 0 "[ . 1 . 2]" 1
1241 2 60 TRP H 2 60 TRP HB3 3.970 . 3.970 2.938 2.715 3.728 . 0 0 "[ . 1 . 2]" 1
1242 2 60 TRP H 2 61 PHE H 4.510 . 4.510 4.179 3.891 4.278 . 0 0 "[ . 1 . 2]" 1
1243 2 60 TRP H 2 61 PHE HZ 4.840 . 4.840 4.859 4.609 4.914 0.074 12 0 "[ . 1 . 2]" 1
1244 2 60 TRP HA 2 60 TRP HD1 3.720 . 3.720 3.318 3.189 3.424 . 0 0 "[ . 1 . 2]" 1
1245 2 60 TRP HA 2 61 PHE H 2.920 . 2.920 2.202 2.081 2.285 . 0 0 "[ . 1 . 2]" 1
1246 2 60 TRP HA 2 61 PHE HB2 4.640 . 4.640 4.447 4.166 4.543 . 0 0 "[ . 1 . 2]" 1
1247 2 60 TRP HA 2 61 PHE QD 3.940 . 3.940 3.606 3.265 3.888 . 0 0 "[ . 1 . 2]" 1
1248 2 60 TRP HA 2 61 PHE QE 4.610 . 4.610 4.539 4.308 4.644 0.034 17 0 "[ . 1 . 2]" 1
1249 2 60 TRP HB2 2 60 TRP HE3 4.160 . 4.160 4.086 4.038 4.135 . 0 0 "[ . 1 . 2]" 1
1250 2 60 TRP HB2 2 61 PHE H 4.080 . 4.080 4.008 3.887 4.085 0.005 3 0 "[ . 1 . 2]" 1
1251 2 60 TRP HB3 2 60 TRP HZ3 5.390 . 5.390 4.928 4.878 4.995 . 0 0 "[ . 1 . 2]" 1
1252 2 60 TRP HB3 2 61 PHE H 4.050 . 4.050 3.959 3.890 4.022 . 0 0 "[ . 1 . 2]" 1
1253 2 60 TRP HD1 2 61 PHE H 4.030 . 4.030 3.871 3.646 4.035 0.005 17 0 "[ . 1 . 2]" 1
1254 2 60 TRP HE1 2 61 PHE H 4.910 . 4.910 4.634 4.415 4.807 . 0 0 "[ . 1 . 2]" 1
1255 2 60 TRP HE3 2 61 PHE HA 4.990 . 4.990 3.470 3.323 3.654 . 0 0 "[ . 1 . 2]" 1
1256 2 60 TRP HH2 2 62 CYS HA 3.900 . 3.900 2.727 2.603 2.898 . 0 0 "[ . 1 . 2]" 1
1257 2 60 TRP HH2 2 62 CYS HB2 4.540 . 4.540 3.494 3.258 3.775 . 0 0 "[ . 1 . 2]" 1
1258 2 60 TRP HH2 2 62 CYS HB3 4.580 . 4.580 2.959 2.733 3.244 . 0 0 "[ . 1 . 2]" 1
1259 2 60 TRP HH2 2 63 PRO QD 4.230 . 4.230 3.280 3.059 3.568 . 0 0 "[ . 1 . 2]" 1
1260 2 60 TRP HZ2 2 62 CYS HA 4.160 . 4.160 3.134 2.795 3.367 . 0 0 "[ . 1 . 2]" 1
1261 2 60 TRP HZ2 2 62 CYS HB2 4.890 . 4.890 4.878 4.528 4.946 0.056 4 0 "[ . 1 . 2]" 1
1262 2 60 TRP HZ2 2 63 PRO HG3 5.400 . 5.400 5.278 4.880 5.441 0.041 1 0 "[ . 1 . 2]" 1
1263 2 60 TRP HZ3 2 61 PHE H 5.500 . 5.500 5.516 5.466 5.545 0.045 15 0 "[ . 1 . 2]" 1
1264 2 60 TRP HZ3 2 61 PHE HA 4.850 . 4.850 4.284 4.072 4.544 . 0 0 "[ . 1 . 2]" 1
1265 2 60 TRP HZ3 2 62 CYS H 4.610 . 4.610 3.732 3.625 3.857 . 0 0 "[ . 1 . 2]" 1
1266 2 60 TRP HZ3 2 62 CYS HA 4.920 . 4.920 3.719 3.563 3.929 . 0 0 "[ . 1 . 2]" 1
1267 2 60 TRP HZ3 2 62 CYS HB2 5.500 . 5.500 4.485 3.984 4.978 . 0 0 "[ . 1 . 2]" 1
1268 2 60 TRP HZ3 2 62 CYS HB3 4.370 . 4.370 3.005 2.595 3.539 . 0 0 "[ . 1 . 2]" 1
1269 2 61 PHE H 2 61 PHE HB2 3.630 . 3.630 2.726 2.611 2.782 . 0 0 "[ . 1 . 2]" 1
1270 2 61 PHE H 2 61 PHE HB3 3.920 . 3.920 3.800 3.736 3.834 . 0 0 "[ . 1 . 2]" 1
1271 2 61 PHE H 2 61 PHE QD 3.580 . 3.580 3.135 2.844 3.351 . 0 0 "[ . 1 . 2]" 1
1272 2 61 PHE H 2 62 CYS H 4.690 . 4.690 4.237 4.172 4.289 . 0 0 "[ . 1 . 2]" 1
1273 2 61 PHE H 2 66 ALA MB 4.920 . 4.920 3.432 3.001 4.172 . 0 0 "[ . 1 . 2]" 1
1274 2 61 PHE HA 2 61 PHE QD 3.840 . 3.840 2.738 2.479 3.028 . 0 0 "[ . 1 . 2]" 1
1275 2 61 PHE HA 2 62 CYS H 3.180 . 3.180 2.194 2.098 2.276 . 0 0 "[ . 1 . 2]" 1
1276 2 61 PHE HA 2 65 CYS HB2 4.620 . 4.620 3.604 3.415 3.854 . 0 0 "[ . 1 . 2]" 1
1277 2 61 PHE HB2 2 62 CYS H 4.400 . 4.400 3.944 3.826 4.118 . 0 0 "[ . 1 . 2]" 1
1278 2 61 PHE HB2 2 66 ALA H 4.680 . 4.680 3.343 2.844 3.883 . 0 0 "[ . 1 . 2]" 1
1279 2 61 PHE HB2 2 66 ALA HA 4.430 . 4.430 2.882 2.519 3.712 . 0 0 "[ . 1 . 2]" 1
1280 2 61 PHE HB2 2 66 ALA MB 3.470 . 3.470 2.014 1.877 2.400 . 0 0 "[ . 1 . 2]" 1
1281 2 61 PHE HB3 2 62 CYS H 3.630 . 3.630 3.045 2.931 3.220 . 0 0 "[ . 1 . 2]" 1
1282 2 61 PHE HB3 2 65 CYS H 4.660 . 4.660 4.191 3.903 4.528 . 0 0 "[ . 1 . 2]" 1
1283 2 61 PHE HB3 2 65 CYS HB3 4.320 . 4.320 2.529 2.091 3.095 . 0 0 "[ . 1 . 2]" 1
1284 2 61 PHE HB3 2 66 ALA H 4.310 . 4.310 3.131 2.894 3.314 . 0 0 "[ . 1 . 2]" 1
1285 2 61 PHE HB3 2 66 ALA HA 4.890 . 4.890 3.461 3.160 3.802 . 0 0 "[ . 1 . 2]" 1
1286 2 61 PHE HB3 2 66 ALA MB 3.780 . 3.780 3.098 2.819 3.415 . 0 0 "[ . 1 . 2]" 1
1287 2 61 PHE QD 2 62 CYS H 4.410 . 4.410 4.096 3.933 4.291 . 0 0 "[ . 1 . 2]" 1
1288 2 61 PHE QD 2 65 CYS HB2 4.290 . 4.290 3.666 3.338 3.932 . 0 0 "[ . 1 . 2]" 1
1289 2 61 PHE QD 2 66 ALA MB 4.530 . 4.530 3.430 2.994 3.900 . 0 0 "[ . 1 . 2]" 1
1290 2 61 PHE QD 2 69 ILE MD 5.340 . 5.340 3.335 2.646 4.801 . 0 0 "[ . 1 . 2]" 1
1291 2 61 PHE QE 2 69 ILE MD 5.500 . 5.500 3.685 2.971 5.176 . 0 0 "[ . 1 . 2]" 1
1292 2 62 CYS H 2 62 CYS HB2 3.950 . 3.950 3.568 3.456 3.627 . 0 0 "[ . 1 . 2]" 1
1293 2 62 CYS H 2 62 CYS HB3 3.560 . 3.560 2.513 2.435 2.603 . 0 0 "[ . 1 . 2]" 1
1294 2 62 CYS H 2 63 PRO QD 4.660 . 4.660 4.420 4.343 4.456 . 0 0 "[ . 1 . 2]" 1
1295 2 62 CYS H 2 65 CYS H 4.590 . 4.590 3.741 3.476 3.996 . 0 0 "[ . 1 . 2]" 1
1296 2 62 CYS H 2 65 CYS HB2 4.190 . 4.190 2.702 2.538 2.929 . 0 0 "[ . 1 . 2]" 1
1297 2 62 CYS H 2 66 ALA H 5.280 . 5.280 4.026 3.752 4.281 . 0 0 "[ . 1 . 2]" 1
1298 2 62 CYS H 2 66 ALA MB 5.440 . 5.440 4.295 4.071 4.599 . 0 0 "[ . 1 . 2]" 1
1299 2 62 CYS HA 2 63 PRO HA 4.460 . 4.460 4.463 4.411 4.489 0.029 1 0 "[ . 1 . 2]" 1
1300 2 62 CYS HA 2 63 PRO QD 3.490 . 3.490 2.236 2.140 2.305 . 0 0 "[ . 1 . 2]" 1
1301 2 62 CYS HB2 2 65 CYS H 4.490 . 4.490 4.106 3.793 4.385 . 0 0 "[ . 1 . 2]" 1
1302 2 62 CYS HB3 2 63 PRO QD 3.900 . 3.900 3.203 3.082 3.300 . 0 0 "[ . 1 . 2]" 1
1303 2 62 CYS HB3 2 64 LYS H 4.680 . 4.680 4.282 4.101 4.676 . 0 0 "[ . 1 . 2]" 1
1304 2 62 CYS SG 2 65 CYS SG 4.000 4.000 4.000 3.706 3.652 3.854 0.348 13 0 "[ . 1 . 2]" 1
1305 2 63 PRO HA 2 65 CYS H 5.240 . 5.240 4.743 4.463 4.911 . 0 0 "[ . 1 . 2]" 1
1306 2 63 PRO HA 2 66 ALA H 4.130 . 4.130 3.883 3.669 4.031 . 0 0 "[ . 1 . 2]" 1
1307 2 63 PRO HA 2 66 ALA MB 3.490 . 3.490 3.078 2.669 3.307 . 0 0 "[ . 1 . 2]" 1
1308 2 63 PRO HA 2 67 ASN H 4.460 . 4.460 4.058 3.707 4.362 . 0 0 "[ . 1 . 2]" 1
1309 2 63 PRO QB 2 64 LYS H 3.800 . 3.800 3.380 2.859 3.630 . 0 0 "[ . 1 . 2]" 1
1310 2 63 PRO QB 2 66 ALA MB 4.790 . 4.790 4.635 4.296 4.808 0.018 10 0 "[ . 1 . 2]" 1
1311 2 63 PRO HB2 2 64 LYS H 4.520 . 4.520 3.518 2.916 3.834 . 0 0 "[ . 1 . 2]" 1
1312 2 63 PRO HB3 2 64 LYS H 4.520 . 4.520 4.393 4.123 4.511 . 0 0 "[ . 1 . 2]" 1
1313 2 63 PRO QD 2 64 LYS H 4.050 . 4.050 3.286 3.172 3.455 . 0 0 "[ . 1 . 2]" 1
1314 2 63 PRO QD 2 65 CYS H 4.790 . 4.790 4.812 4.756 4.846 0.056 14 0 "[ . 1 . 2]" 1
1315 2 63 PRO HG2 2 64 LYS H 3.230 . 3.230 3.115 2.877 3.242 0.012 11 0 "[ . 1 . 2]" 1
1316 2 63 PRO HG3 2 64 LYS H 4.690 . 4.690 4.523 4.325 4.647 . 0 0 "[ . 1 . 2]" 1
1317 2 64 LYS H 2 64 LYS HB2 3.810 . 3.810 2.483 2.365 2.591 . 0 0 "[ . 1 . 2]" 1
1318 2 64 LYS H 2 64 LYS QB 3.060 . 3.060 2.443 2.334 2.539 . 0 0 "[ . 1 . 2]" 1
1319 2 64 LYS H 2 64 LYS HB3 3.810 . 3.810 3.636 3.600 3.695 . 0 0 "[ . 1 . 2]" 1
1320 2 64 LYS H 2 64 LYS QD 5.000 . 5.000 3.981 3.431 4.474 . 0 0 "[ . 1 . 2]" 1
1321 2 64 LYS H 2 64 LYS QG 3.560 . 3.560 2.491 2.204 2.720 . 0 0 "[ . 1 . 2]" 1
1322 2 64 LYS H 2 65 CYS H 3.120 . 3.120 2.370 2.200 2.566 . 0 0 "[ . 1 . 2]" 1
1323 2 64 LYS H 2 65 CYS HB2 4.670 . 4.670 4.404 4.169 4.627 . 0 0 "[ . 1 . 2]" 1
1324 2 64 LYS H 2 66 ALA H 4.140 . 4.140 3.736 3.510 4.004 . 0 0 "[ . 1 . 2]" 1
1325 2 64 LYS H 2 67 ASN QB 5.260 . 5.260 4.572 4.037 4.933 . 0 0 "[ . 1 . 2]" 1
1326 2 64 LYS HA 2 64 LYS QD 4.400 . 4.400 3.700 2.087 4.333 . 0 0 "[ . 1 . 2]" 1
1327 2 64 LYS HA 2 64 LYS HG2 4.200 . 4.200 2.717 2.476 3.103 . 0 0 "[ . 1 . 2]" 1
1328 2 64 LYS HA 2 64 LYS QG 3.570 . 3.570 2.585 2.387 2.972 . 0 0 "[ . 1 . 2]" 1
1329 2 64 LYS HA 2 64 LYS HG3 4.200 . 4.200 3.270 2.942 3.814 . 0 0 "[ . 1 . 2]" 1
1330 2 64 LYS HA 2 67 ASN H 4.460 . 4.460 4.027 3.657 4.498 0.038 1 0 "[ . 1 . 2]" 1
1331 2 64 LYS HA 2 67 ASN HB2 4.770 . 4.770 3.840 3.045 4.781 0.011 10 0 "[ . 1 . 2]" 1
1332 2 64 LYS HA 2 67 ASN QB 4.160 . 4.160 3.062 2.646 3.731 . 0 0 "[ . 1 . 2]" 1
1333 2 64 LYS HA 2 67 ASN HB3 4.770 . 4.770 3.236 2.794 4.042 . 0 0 "[ . 1 . 2]" 1
1334 2 64 LYS HA 2 67 ASN QD 5.180 . 5.180 4.282 3.174 5.232 0.052 7 0 "[ . 1 . 2]" 1
1335 2 64 LYS QB 2 64 LYS QE 4.260 . 4.260 2.902 1.957 3.824 . 0 0 "[ . 1 . 2]" 1
1336 2 64 LYS QB 2 65 CYS H 3.260 . 3.260 2.281 2.014 2.588 . 0 0 "[ . 1 . 2]" 1
1337 2 64 LYS QB 2 66 ALA H 5.340 . 5.340 4.531 4.319 4.698 . 0 0 "[ . 1 . 2]" 1
1338 2 64 LYS HB2 2 65 CYS H 3.800 . 3.800 2.319 2.033 2.655 . 0 0 "[ . 1 . 2]" 1
1339 2 64 LYS HB3 2 65 CYS H 3.800 . 3.800 3.413 3.256 3.617 . 0 0 "[ . 1 . 2]" 1
1340 2 64 LYS QE 2 64 LYS QG 3.370 . 3.370 2.486 2.122 2.886 . 0 0 "[ . 1 . 2]" 1
1341 2 64 LYS QG 2 65 CYS H 5.080 . 5.080 3.898 3.696 4.135 . 0 0 "[ . 1 . 2]" 1
1342 2 65 CYS H 2 65 CYS HB2 3.710 . 3.710 2.302 2.237 2.367 . 0 0 "[ . 1 . 2]" 1
1343 2 65 CYS H 2 65 CYS HB3 3.590 . 3.590 3.561 3.534 3.582 . 0 0 "[ . 1 . 2]" 1
1344 2 65 CYS H 2 66 ALA H 3.180 . 3.180 2.579 2.425 2.634 . 0 0 "[ . 1 . 2]" 1
1345 2 65 CYS H 2 66 ALA HA 5.180 . 5.180 5.160 5.044 5.205 0.025 5 0 "[ . 1 . 2]" 1
1346 2 65 CYS H 2 66 ALA MB 4.330 . 4.330 4.293 4.142 4.363 0.033 7 0 "[ . 1 . 2]" 1
1347 2 65 CYS H 2 67 ASN H 4.490 . 4.490 3.854 3.710 3.957 . 0 0 "[ . 1 . 2]" 1
1348 2 65 CYS H 2 68 LYS QE 5.500 . 5.500 4.623 4.387 5.510 0.010 17 0 "[ . 1 . 2]" 1
1349 2 65 CYS HA 2 67 ASN H 4.490 . 4.490 3.839 3.617 4.051 . 0 0 "[ . 1 . 2]" 1
1350 2 65 CYS HA 2 68 LYS H 3.900 . 3.900 3.407 3.158 3.657 . 0 0 "[ . 1 . 2]" 1
1351 2 65 CYS HA 2 68 LYS HB2 5.500 . 5.500 4.880 4.534 5.532 0.032 17 0 "[ . 1 . 2]" 1
1352 2 65 CYS HA 2 68 LYS HB3 4.570 . 4.570 3.793 3.458 4.280 . 0 0 "[ . 1 . 2]" 1
1353 2 65 CYS HA 2 68 LYS QD 4.010 . 4.010 2.490 2.036 3.362 . 0 0 "[ . 1 . 2]" 1
1354 2 65 CYS HA 2 68 LYS QE 3.860 . 3.860 2.137 1.922 3.083 . 0 0 "[ . 1 . 2]" 1
1355 2 65 CYS HA 2 68 LYS HG2 3.700 . 3.700 2.383 2.058 3.065 . 0 0 "[ . 1 . 2]" 1
1356 2 65 CYS HA 2 68 LYS HG3 4.750 . 4.750 3.867 3.577 4.740 . 0 0 "[ . 1 . 2]" 1
1357 2 65 CYS HB2 2 66 ALA H 3.900 . 3.900 2.873 2.617 3.073 . 0 0 "[ . 1 . 2]" 1
1358 2 65 CYS HB3 2 66 ALA H 3.770 . 3.770 3.675 3.554 3.779 0.009 4 0 "[ . 1 . 2]" 1
1359 2 65 CYS HB3 2 66 ALA HA 4.390 . 4.390 4.306 4.225 4.403 0.013 4 0 "[ . 1 . 2]" 1
1360 2 65 CYS HB3 2 66 ALA MB 4.590 . 4.590 4.644 4.577 4.671 0.081 12 0 "[ . 1 . 2]" 1
1361 2 66 ALA H 2 66 ALA MB 2.860 . 2.860 2.239 2.208 2.262 . 0 0 "[ . 1 . 2]" 1
1362 2 66 ALA H 2 67 ASN H 3.430 . 3.430 2.433 2.242 2.531 . 0 0 "[ . 1 . 2]" 1
1363 2 66 ALA H 2 68 LYS H 4.690 . 4.690 4.213 3.964 4.453 . 0 0 "[ . 1 . 2]" 1
1364 2 66 ALA HA 2 68 LYS H 4.520 . 4.520 4.327 3.920 4.525 0.005 20 0 "[ . 1 . 2]" 1
1365 2 66 ALA HA 2 68 LYS QE 4.870 . 4.870 4.901 4.738 4.963 0.093 14 0 "[ . 1 . 2]" 1
1366 2 66 ALA HA 2 69 ILE H 4.200 . 4.200 3.618 3.297 3.943 . 0 0 "[ . 1 . 2]" 1
1367 2 66 ALA HA 2 69 ILE HB 4.180 . 4.180 3.318 2.378 4.168 . 0 0 "[ . 1 . 2]" 1
1368 2 66 ALA HA 2 69 ILE MD 4.140 . 4.140 2.607 2.092 3.740 . 0 0 "[ . 1 . 2]" 1
1369 2 66 ALA HA 2 69 ILE QG 3.670 . 3.670 2.622 2.025 3.168 . 0 0 "[ . 1 . 2]" 1
1370 2 66 ALA MB 2 67 ASN H 3.510 . 3.510 2.905 2.646 3.084 . 0 0 "[ . 1 . 2]" 1
1371 2 66 ALA MB 2 67 ASN QB 4.570 . 4.570 3.921 3.491 4.156 . 0 0 "[ . 1 . 2]" 1
1372 2 66 ALA MB 2 68 LYS H 5.050 . 5.050 4.693 4.437 4.872 . 0 0 "[ . 1 . 2]" 1
1373 2 66 ALA MB 2 69 ILE MD 4.610 . 4.610 3.697 2.968 4.735 0.125 7 0 "[ . 1 . 2]" 1
1374 2 67 ASN H 2 67 ASN HB2 3.580 . 3.580 2.615 2.270 2.758 . 0 0 "[ . 1 . 2]" 1
1375 2 67 ASN H 2 67 ASN QB 3.060 . 3.060 2.278 2.144 2.343 . 0 0 "[ . 1 . 2]" 1
1376 2 67 ASN H 2 67 ASN HB3 3.580 . 3.580 2.518 2.411 2.633 . 0 0 "[ . 1 . 2]" 1
1377 2 67 ASN H 2 68 LYS H 3.340 . 3.340 2.423 2.252 2.629 . 0 0 "[ . 1 . 2]" 1
1378 2 67 ASN H 2 68 LYS HB3 5.500 . 5.500 4.768 4.581 5.040 . 0 0 "[ . 1 . 2]" 1
1379 2 67 ASN H 2 68 LYS HG2 4.460 . 4.460 3.902 3.603 4.223 . 0 0 "[ . 1 . 2]" 1
1380 2 67 ASN H 2 69 ILE QG 4.270 . 4.270 4.310 4.129 4.386 0.116 10 0 "[ . 1 . 2]" 1
1381 2 67 ASN HA 2 67 ASN QD 4.510 . 4.510 3.779 2.885 4.125 . 0 0 "[ . 1 . 2]" 1
1382 2 67 ASN HA 2 69 ILE H 4.520 . 4.520 3.975 3.667 4.291 . 0 0 "[ . 1 . 2]" 1
1383 2 67 ASN HA 2 70 LYS H 4.590 . 4.590 3.580 3.120 4.043 . 0 0 "[ . 1 . 2]" 1
1384 2 67 ASN QB 2 68 LYS H 3.550 . 3.550 2.568 2.270 2.910 . 0 0 "[ . 1 . 2]" 1
1385 2 67 ASN HB2 2 68 LYS H 4.060 . 4.060 3.844 3.576 4.067 0.007 17 0 "[ . 1 . 2]" 1
1386 2 67 ASN HB3 2 68 LYS H 4.060 . 4.060 2.609 2.291 2.981 . 0 0 "[ . 1 . 2]" 1
1387 2 68 LYS H 2 68 LYS HB2 3.700 . 3.700 3.625 3.586 3.676 . 0 0 "[ . 1 . 2]" 1
1388 2 68 LYS H 2 68 LYS HB3 3.120 . 3.120 2.541 2.409 2.730 . 0 0 "[ . 1 . 2]" 1
1389 2 68 LYS H 2 68 LYS QD 4.150 . 4.150 3.697 3.529 3.988 . 0 0 "[ . 1 . 2]" 1
1390 2 68 LYS H 2 68 LYS QE 4.490 . 4.490 4.237 3.948 4.383 . 0 0 "[ . 1 . 2]" 1
1391 2 68 LYS H 2 68 LYS HG2 3.540 . 3.540 2.223 1.946 2.394 . 0 0 "[ . 1 . 2]" 1
1392 2 68 LYS H 2 68 LYS HG3 3.860 . 3.860 3.509 3.225 3.745 . 0 0 "[ . 1 . 2]" 1
1393 2 68 LYS H 2 69 ILE H 3.290 . 3.290 2.556 2.339 2.790 . 0 0 "[ . 1 . 2]" 1
1394 2 68 LYS HA 2 68 LYS QD 4.380 . 4.380 4.295 4.230 4.338 . 0 0 "[ . 1 . 2]" 1
1395 2 68 LYS HA 2 68 LYS HG2 4.060 . 4.060 3.715 3.674 3.781 . 0 0 "[ . 1 . 2]" 1
1396 2 68 LYS HA 2 68 LYS HG3 3.700 . 3.700 3.735 3.705 3.752 0.052 8 0 "[ . 1 . 2]" 1
1397 2 68 LYS HA 2 69 ILE H 3.450 . 3.450 3.392 3.298 3.473 0.023 7 0 "[ . 1 . 2]" 1
1398 2 68 LYS HA 2 70 LYS H 4.330 . 4.330 4.163 3.474 4.532 0.202 10 0 "[ . 1 . 2]" 1
1399 2 68 LYS HB2 2 68 LYS QE 4.020 . 4.020 3.984 3.902 4.121 0.101 13 0 "[ . 1 . 2]" 1
1400 2 68 LYS HB2 2 69 ILE H 4.300 . 4.300 4.126 3.805 4.302 0.002 12 0 "[ . 1 . 2]" 1
1401 2 68 LYS HB2 2 69 ILE HA 5.500 . 5.500 4.833 4.632 5.030 . 0 0 "[ . 1 . 2]" 1
1402 2 68 LYS HB3 2 68 LYS QE 4.280 . 4.280 3.943 3.829 3.980 . 0 0 "[ . 1 . 2]" 1
1403 2 68 LYS HB3 2 69 ILE H 4.300 . 4.300 4.109 3.916 4.318 0.018 12 0 "[ . 1 . 2]" 1
1404 2 68 LYS QE 2 68 LYS HG2 3.800 . 3.800 2.327 2.251 2.399 . 0 0 "[ . 1 . 2]" 1
1405 2 68 LYS QE 2 68 LYS HG3 3.520 . 3.520 2.473 2.302 2.945 . 0 0 "[ . 1 . 2]" 1
1406 2 68 LYS QE 2 69 ILE QG 4.000 . 4.000 3.392 2.641 4.037 0.037 4 0 "[ . 1 . 2]" 1
1407 2 68 LYS HG2 2 69 ILE H 4.670 . 4.670 2.791 2.365 3.206 . 0 0 "[ . 1 . 2]" 1
1408 2 68 LYS HG3 2 69 ILE HA 4.040 . 4.040 3.584 3.368 3.816 . 0 0 "[ . 1 . 2]" 1
1409 2 69 ILE H 2 69 ILE HB 2.930 . 2.930 2.564 2.439 2.701 . 0 0 "[ . 1 . 2]" 1
1410 2 69 ILE H 2 69 ILE MD 4.050 . 4.050 3.527 3.041 3.784 . 0 0 "[ . 1 . 2]" 1
1411 2 69 ILE H 2 69 ILE HG12 3.550 . 3.550 2.984 2.035 3.479 . 0 0 "[ . 1 . 2]" 1
1412 2 69 ILE H 2 69 ILE QG 2.970 . 2.970 2.072 1.859 2.290 . 0 0 "[ . 1 . 2]" 1
1413 2 69 ILE H 2 69 ILE HG13 3.550 . 3.550 2.461 1.874 3.619 0.069 12 0 "[ . 1 . 2]" 1
1414 2 69 ILE H 2 69 ILE MG 3.940 . 3.940 3.776 3.717 3.831 . 0 0 "[ . 1 . 2]" 1
1415 2 69 ILE H 2 70 LYS H 3.490 . 3.490 2.461 2.183 2.694 . 0 0 "[ . 1 . 2]" 1
1416 2 69 ILE H 2 70 LYS HA 5.500 . 5.500 4.979 4.420 5.273 . 0 0 "[ . 1 . 2]" 1
1417 2 69 ILE HA 2 69 ILE MD 4.020 . 4.020 3.440 2.100 3.902 . 0 0 "[ . 1 . 2]" 1
1418 2 69 ILE HA 2 69 ILE HG12 3.890 . 3.890 2.722 2.483 3.240 . 0 0 "[ . 1 . 2]" 1
1419 2 69 ILE HA 2 69 ILE QG 3.380 . 3.380 2.603 2.389 3.084 . 0 0 "[ . 1 . 2]" 1
1420 2 69 ILE HA 2 69 ILE HG13 3.890 . 3.890 3.315 3.046 3.868 . 0 0 "[ . 1 . 2]" 1
1421 2 69 ILE HA 2 69 ILE MG 3.290 . 3.290 2.395 2.323 2.477 . 0 0 "[ . 1 . 2]" 1
1422 2 69 ILE HA 2 70 LYS H 3.510 . 3.510 3.487 3.369 3.538 0.028 18 0 "[ . 1 . 2]" 1
1423 2 69 ILE HB 2 69 ILE MD 3.310 . 3.310 2.668 2.448 3.255 . 0 0 "[ . 1 . 2]" 1
1424 2 69 ILE HB 2 70 LYS H 3.380 . 3.380 2.609 1.967 3.248 . 0 0 "[ . 1 . 2]" 1
1425 2 69 ILE MD 2 69 ILE MG 3.260 . 3.260 1.962 1.901 2.066 . 0 0 "[ . 1 . 2]" 1
1426 2 69 ILE QG 2 69 ILE MG 3.230 . 3.230 2.363 2.284 2.486 . 0 0 "[ . 1 . 2]" 1
1427 2 69 ILE QG 2 70 LYS H 4.280 . 4.280 3.826 3.428 4.091 . 0 0 "[ . 1 . 2]" 1
1428 2 69 ILE MG 2 70 LYS H 4.090 . 4.090 3.558 3.101 3.931 . 0 0 "[ . 1 . 2]" 1
1429 2 69 ILE MG 2 70 LYS HA 4.270 . 4.270 3.793 3.331 4.374 0.104 1 0 "[ . 1 . 2]" 1
1430 2 70 LYS H 2 70 LYS HB2 3.840 . 3.840 2.945 2.378 3.829 . 0 0 "[ . 1 . 2]" 1
1431 2 70 LYS H 2 70 LYS QB 3.300 . 3.300 2.620 2.225 3.092 . 0 0 "[ . 1 . 2]" 1
1432 2 70 LYS H 2 70 LYS HB3 3.840 . 3.840 3.206 2.388 3.735 . 0 0 "[ . 1 . 2]" 1
1433 2 70 LYS H 2 71 LYS H 4.340 . 4.340 2.814 1.963 4.299 . 0 0 "[ . 1 . 2]" 1
1434 2 70 LYS H 2 71 LYS QB 4.800 . 4.800 4.641 3.969 4.889 0.089 10 0 "[ . 1 . 2]" 1
1435 2 70 LYS H 2 71 LYS QG 4.300 . 4.300 3.876 3.432 4.357 0.057 10 0 "[ . 1 . 2]" 1
1436 2 70 LYS HA 2 70 LYS QD 4.750 . 4.750 3.760 2.051 4.436 . 0 0 "[ . 1 . 2]" 1
1437 2 70 LYS HA 2 70 LYS QG 3.760 . 3.760 2.686 2.331 3.603 . 0 0 "[ . 1 . 2]" 1
1438 2 70 LYS QB 2 71 LYS H 3.930 . 3.930 3.087 2.243 3.973 0.043 14 0 "[ . 1 . 2]" 1
1439 2 71 LYS H 2 71 LYS HB2 4.090 . 4.090 3.362 2.416 4.034 . 0 0 "[ . 1 . 2]" 1
1440 2 71 LYS H 2 71 LYS QB 3.440 . 3.440 2.997 2.382 3.460 0.020 18 0 "[ . 1 . 2]" 1
1441 2 71 LYS H 2 71 LYS HB3 4.090 . 4.090 3.690 2.837 4.129 0.039 9 0 "[ . 1 . 2]" 1
1442 2 71 LYS H 2 71 LYS QG 3.880 . 3.880 2.835 2.126 3.661 . 0 0 "[ . 1 . 2]" 1
1443 2 71 LYS HA 2 71 LYS QD 4.290 . 4.290 4.136 3.792 4.397 0.107 12 0 "[ . 1 . 2]" 1
1444 2 71 LYS HA 2 72 ASP H 3.460 . 3.460 2.648 1.945 3.473 0.013 20 0 "[ . 1 . 2]" 1
1445 2 71 LYS QB 2 72 ASP H 3.840 . 3.840 3.213 1.960 3.903 0.063 8 0 "[ . 1 . 2]" 1
1446 2 71 LYS HB2 2 71 LYS QE 4.940 . 4.940 3.195 2.008 4.166 . 0 0 "[ . 1 . 2]" 1
1447 2 71 LYS HB2 2 72 ASP H 4.410 . 4.410 3.761 2.225 4.421 0.011 10 0 "[ . 1 . 2]" 1
1448 2 71 LYS HB3 2 71 LYS QE 4.940 . 4.940 3.374 2.065 4.182 . 0 0 "[ . 1 . 2]" 1
1449 2 71 LYS HB3 2 72 ASP H 4.410 . 4.410 3.713 1.977 4.413 0.003 2 0 "[ . 1 . 2]" 1
1450 2 72 ASP H 2 72 ASP HB2 4.000 . 4.000 2.908 2.326 3.726 . 0 0 "[ . 1 . 2]" 1
1451 2 72 ASP H 2 72 ASP QB 3.460 . 3.460 2.516 2.178 3.403 . 0 0 "[ . 1 . 2]" 1
1452 2 72 ASP H 2 72 ASP HB3 4.000 . 4.000 2.913 2.404 4.071 0.071 19 0 "[ . 1 . 2]" 1
1453 2 72 ASP HB2 2 73 LYS H 4.910 . 4.910 3.620 2.309 4.511 . 0 0 "[ . 1 . 2]" 1
1454 2 72 ASP HB3 2 73 LYS H 4.910 . 4.910 3.211 1.798 4.411 . 0 0 "[ . 1 . 2]" 1
1455 2 73 LYS H 2 73 LYS QB 3.470 . 3.470 2.836 2.201 3.401 . 0 0 "[ . 1 . 2]" 1
1456 2 73 LYS QB 2 74 LYS H 4.390 . 4.390 3.121 1.826 4.017 . 0 0 "[ . 1 . 2]" 1
1457 2 74 LYS HA 2 74 LYS QG 3.930 . 3.930 2.995 2.375 3.642 . 0 0 "[ . 1 . 2]" 1
1458 2 74 LYS HA 2 75 HIS H 3.280 . 3.280 2.323 2.004 3.408 0.128 7 0 "[ . 1 . 2]" 1
1459 2 74 LYS HA 2 75 HIS QB 4.410 . 4.410 4.186 3.943 4.469 0.059 13 0 "[ . 1 . 2]" 1
1460 2 75 HIS H 2 75 HIS QB 3.650 . 3.650 2.741 2.285 3.452 . 0 0 "[ . 1 . 2]" 1
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