NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
579403 |
2mke   |
19771 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mke
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 394
_Distance_constraint_stats_list.Viol_count 28
_Distance_constraint_stats_list.Viol_total 35.694
_Distance_constraint_stats_list.Viol_max 0.132
_Distance_constraint_stats_list.Viol_rms 0.0033
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0490
_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 8 SER 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 9 LEU 0.009 0.009 23 0 "[ . 1 . 2 . ]"
1 10 CYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 11 HIS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 12 ILE 0.027 0.014 19 0 "[ . 1 . 2 . ]"
1 13 CYS 0.613 0.077 23 0 "[ . 1 . 2 . ]"
1 14 SER 0.585 0.077 23 0 "[ . 1 . 2 . ]"
1 15 SER 0.154 0.065 15 0 "[ . 1 . 2 . ]"
1 16 GLN 0.154 0.065 15 0 "[ . 1 . 2 . ]"
1 17 PRO 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 20 PHE 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 21 PHE 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 23 ARG 0.106 0.106 11 0 "[ . 1 . 2 . ]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 25 GLN 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 26 VAL 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 27 CYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 28 PHE 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 30 TYR 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 31 PHE 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 32 CYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 33 ARG 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 34 SER 0.475 0.132 6 0 "[ . 1 . 2 . ]"
1 35 CYS 0.475 0.132 6 0 "[ . 1 . 2 . ]"
1 36 TRP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 37 HIS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 38 TRP 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 39 ARG 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 40 HIS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 42 MET 0.001 0.001 1 0 "[ . 1 . 2 . ]"
1 43 GLU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 44 GLY 0.014 0.014 7 0 "[ . 1 . 2 . ]"
1 45 LEU 0.014 0.014 7 0 "[ . 1 . 2 . ]"
1 46 ARG 0.001 0.001 26 0 "[ . 1 . 2 . ]"
1 47 HIS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 48 HIS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 49 SER 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 50 PRO 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 52 MET 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 53 ARG 0.000 0.000 . 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 8 SER HA 1 9 LEU H 3.580 . 4.080 3.157 2.337 3.427 . 0 0 "[ . 1 . 2 . ]" 1
2 1 8 SER HB2 1 9 LEU H 4.610 . 5.110 3.981 2.526 4.542 . 0 0 "[ . 1 . 2 . ]" 1
3 1 8 SER HB3 1 9 LEU H 5.180 . 5.680 4.265 2.693 4.664 . 0 0 "[ . 1 . 2 . ]" 1
4 1 9 LEU H 1 9 LEU HB2 4.080 . 4.580 2.367 1.976 3.256 . 0 0 "[ . 1 . 2 . ]" 1
5 1 9 LEU H 1 9 LEU MD1 5.300 . 5.800 3.713 2.898 4.345 . 0 0 "[ . 1 . 2 . ]" 1
6 1 9 LEU H 1 9 LEU HG 4.030 . 4.530 4.329 3.853 4.539 0.009 23 0 "[ . 1 . 2 . ]" 1
7 1 9 LEU HA 1 9 LEU MD1 3.820 . 4.320 2.015 1.965 2.116 . 0 0 "[ . 1 . 2 . ]" 1
8 1 9 LEU HA 1 9 LEU HG 3.660 . 4.160 3.063 2.483 3.784 . 0 0 "[ . 1 . 2 . ]" 1
9 1 9 LEU HA 1 10 CYS H 3.160 . 3.660 2.399 2.241 2.575 . 0 0 "[ . 1 . 2 . ]" 1
10 1 9 LEU HA 1 17 PRO QB 5.470 . 5.970 4.278 3.553 4.896 . 0 0 "[ . 1 . 2 . ]" 1
11 1 9 LEU HA 1 18 GLY H 4.220 . 4.720 3.630 2.464 4.272 . 0 0 "[ . 1 . 2 . ]" 1
12 1 9 LEU HB2 1 10 CYS H 4.610 . 5.110 4.057 3.316 4.350 . 0 0 "[ . 1 . 2 . ]" 1
13 1 9 LEU HB2 1 14 SER HB2 4.850 . 5.350 4.639 2.691 5.094 . 0 0 "[ . 1 . 2 . ]" 1
14 1 9 LEU HB2 1 14 SER HB3 4.720 . 5.220 4.671 2.841 5.064 . 0 0 "[ . 1 . 2 . ]" 1
15 1 9 LEU HB3 1 10 CYS H 4.270 . 4.770 3.384 2.082 4.026 . 0 0 "[ . 1 . 2 . ]" 1
16 1 9 LEU HB3 1 14 SER HB2 5.030 . 5.530 4.118 3.581 4.770 . 0 0 "[ . 1 . 2 . ]" 1
17 1 9 LEU HB3 1 14 SER HB3 5.030 . 5.530 3.761 3.351 4.158 . 0 0 "[ . 1 . 2 . ]" 1
18 1 9 LEU MD1 1 10 CYS H 4.770 . 5.270 2.842 2.038 3.555 . 0 0 "[ . 1 . 2 . ]" 1
19 1 9 LEU MD1 1 14 SER HB2 5.780 . 6.280 3.885 2.861 4.819 . 0 0 "[ . 1 . 2 . ]" 1
20 1 9 LEU MD1 1 14 SER HB3 6.180 . 6.680 4.558 3.556 5.400 . 0 0 "[ . 1 . 2 . ]" 1
21 1 9 LEU MD1 1 15 SER H 6.230 . 6.730 4.335 3.426 4.672 . 0 0 "[ . 1 . 2 . ]" 1
22 1 9 LEU MD1 1 15 SER HA 5.070 . 5.570 4.206 3.453 4.384 . 0 0 "[ . 1 . 2 . ]" 1
23 1 9 LEU MD1 1 16 GLN H 5.090 . 5.590 3.275 2.615 3.650 . 0 0 "[ . 1 . 2 . ]" 1
24 1 9 LEU MD1 1 16 GLN HA 5.610 . 6.110 3.585 2.598 4.245 . 0 0 "[ . 1 . 2 . ]" 1
25 1 9 LEU MD1 1 17 PRO HA 4.760 . 5.260 2.392 1.974 3.070 . 0 0 "[ . 1 . 2 . ]" 1
26 1 9 LEU MD1 1 17 PRO QB 6.620 . 7.120 3.732 3.232 4.270 . 0 0 "[ . 1 . 2 . ]" 1
27 1 9 LEU MD1 1 17 PRO HD3 6.760 . 7.260 3.910 2.820 4.783 . 0 0 "[ . 1 . 2 . ]" 1
28 1 9 LEU MD1 1 17 PRO HG3 6.110 . 6.610 4.472 3.018 5.220 . 0 0 "[ . 1 . 2 . ]" 1
29 1 9 LEU MD1 1 18 GLY H 5.310 . 5.810 3.885 3.459 4.444 . 0 0 "[ . 1 . 2 . ]" 1
30 1 9 LEU MD2 1 10 CYS H 5.840 . 6.340 4.191 3.809 4.706 . 0 0 "[ . 1 . 2 . ]" 1
31 1 9 LEU MD2 1 14 SER HB2 5.080 . 5.580 2.308 1.877 4.139 . 0 0 "[ . 1 . 2 . ]" 1
32 1 9 LEU MD2 1 14 SER HB3 5.400 . 5.900 2.991 2.444 4.582 . 0 0 "[ . 1 . 2 . ]" 1
33 1 9 LEU MD2 1 15 SER H 6.210 . 6.710 4.953 4.118 5.437 . 0 0 "[ . 1 . 2 . ]" 1
34 1 9 LEU MD2 1 16 GLN H 6.220 . 6.720 4.785 3.968 5.308 . 0 0 "[ . 1 . 2 . ]" 1
35 1 9 LEU MD2 1 17 PRO HA 6.180 . 6.680 4.848 4.236 5.180 . 0 0 "[ . 1 . 2 . ]" 1
36 1 10 CYS H 1 10 CYS HB2 3.430 . 3.930 2.513 2.295 2.580 . 0 0 "[ . 1 . 2 . ]" 1
37 1 10 CYS H 1 10 CYS HB3 3.590 . 4.090 2.516 2.296 3.601 . 0 0 "[ . 1 . 2 . ]" 1
38 1 10 CYS H 1 11 HIS H 5.390 . 5.890 4.663 4.611 4.702 . 0 0 "[ . 1 . 2 . ]" 1
39 1 10 CYS H 1 18 GLY H 4.550 . 5.050 3.151 2.723 3.754 . 0 0 "[ . 1 . 2 . ]" 1
40 1 10 CYS H 1 18 GLY QA 5.710 . 6.210 3.476 2.832 4.097 . 0 0 "[ . 1 . 2 . ]" 1
41 1 10 CYS H 1 31 PHE HA 5.800 . 6.300 5.402 5.056 5.741 . 0 0 "[ . 1 . 2 . ]" 1
42 1 10 CYS HA 1 11 HIS H 3.610 . 4.110 2.258 2.206 2.341 . 0 0 "[ . 1 . 2 . ]" 1
43 1 10 CYS HA 1 31 PHE HA 4.210 . 4.710 2.943 2.561 3.274 . 0 0 "[ . 1 . 2 . ]" 1
44 1 10 CYS HB2 1 13 CYS H 5.390 . 5.890 4.253 3.049 4.741 . 0 0 "[ . 1 . 2 . ]" 1
45 1 10 CYS HB2 1 14 SER H 4.150 . 4.650 3.802 1.970 4.213 . 0 0 "[ . 1 . 2 . ]" 1
46 1 10 CYS HB2 1 15 SER H 4.420 . 4.920 4.158 2.840 4.491 . 0 0 "[ . 1 . 2 . ]" 1
47 1 10 CYS HB2 1 16 GLN H 4.190 . 4.690 3.645 3.071 4.167 . 0 0 "[ . 1 . 2 . ]" 1
48 1 10 CYS HB3 1 15 SER H 4.630 . 5.130 3.055 2.735 4.226 . 0 0 "[ . 1 . 2 . ]" 1
49 1 10 CYS HB3 1 16 GLN H 4.730 . 5.230 3.252 2.722 4.839 . 0 0 "[ . 1 . 2 . ]" 1
50 1 10 CYS HB3 1 31 PHE HA 4.470 . 4.970 4.526 3.428 4.718 . 0 0 "[ . 1 . 2 . ]" 1
51 1 11 HIS H 1 11 HIS HD2 5.560 . 6.060 4.024 2.281 5.127 . 0 0 "[ . 1 . 2 . ]" 1
52 1 11 HIS H 1 12 ILE H 4.660 . 5.160 2.541 2.265 2.710 . 0 0 "[ . 1 . 2 . ]" 1
53 1 11 HIS HA 1 11 HIS HD2 4.820 . 5.320 3.212 2.097 4.653 . 0 0 "[ . 1 . 2 . ]" 1
54 1 12 ILE H 1 13 CYS H 3.780 . 4.280 1.933 1.786 2.145 0.014 19 0 "[ . 1 . 2 . ]" 1
55 1 12 ILE H 1 14 SER H 4.350 . 4.850 3.155 3.033 3.275 . 0 0 "[ . 1 . 2 . ]" 1
56 1 12 ILE HA 1 12 ILE MD 3.600 . 4.100 2.128 2.062 2.284 . 0 0 "[ . 1 . 2 . ]" 1
57 1 12 ILE HB 1 13 CYS H 4.110 . 4.610 3.017 2.626 3.218 . 0 0 "[ . 1 . 2 . ]" 1
58 1 12 ILE HB 1 35 CYS HB2 4.650 . 5.150 2.587 2.088 3.621 . 0 0 "[ . 1 . 2 . ]" 1
59 1 12 ILE HB 1 35 CYS HB3 4.400 . 4.900 2.507 2.195 2.691 . 0 0 "[ . 1 . 2 . ]" 1
60 1 12 ILE MD 1 31 PHE QD 6.730 . 7.230 3.981 3.682 4.848 . 0 0 "[ . 1 . 2 . ]" 1
61 1 12 ILE MD 1 31 PHE HZ 6.750 . 7.250 4.150 3.701 4.697 . 0 0 "[ . 1 . 2 . ]" 1
62 1 12 ILE QG 1 13 CYS H 4.840 . 5.340 4.083 3.831 4.173 . 0 0 "[ . 1 . 2 . ]" 1
63 1 12 ILE QG 1 14 SER H 6.130 . 6.630 5.499 5.305 5.618 . 0 0 "[ . 1 . 2 . ]" 1
64 1 12 ILE QG 1 31 PHE QD 6.460 . 6.960 2.428 2.181 3.323 . 0 0 "[ . 1 . 2 . ]" 1
65 1 12 ILE QG 1 31 PHE QE 6.690 . 7.190 2.187 2.047 2.481 . 0 0 "[ . 1 . 2 . ]" 1
66 1 12 ILE QG 1 35 CYS H 6.160 . 6.660 5.479 5.373 5.590 . 0 0 "[ . 1 . 2 . ]" 1
67 1 12 ILE QG 1 35 CYS HB2 5.210 . 5.710 2.597 2.182 3.798 . 0 0 "[ . 1 . 2 . ]" 1
68 1 12 ILE QG 1 35 CYS HB3 5.280 . 5.780 3.428 2.371 3.866 . 0 0 "[ . 1 . 2 . ]" 1
69 1 12 ILE QG 1 38 TRP HZ3 5.510 . 6.010 4.816 2.476 5.052 . 0 0 "[ . 1 . 2 . ]" 1
70 1 12 ILE MG 1 13 CYS H 5.080 . 5.580 3.856 3.573 3.983 . 0 0 "[ . 1 . 2 . ]" 1
71 1 12 ILE MG 1 13 CYS HA 6.410 . 6.910 3.918 3.570 4.178 . 0 0 "[ . 1 . 2 . ]" 1
72 1 12 ILE MG 1 13 CYS HB2 5.990 . 6.490 4.993 4.801 5.104 . 0 0 "[ . 1 . 2 . ]" 1
73 1 12 ILE MG 1 35 CYS H 6.970 . 7.470 5.170 4.799 5.680 . 0 0 "[ . 1 . 2 . ]" 1
74 1 12 ILE MG 1 35 CYS HA 6.490 . 6.990 3.813 3.592 4.025 . 0 0 "[ . 1 . 2 . ]" 1
75 1 12 ILE MG 1 35 CYS HB3 5.800 . 6.300 2.864 2.429 3.559 . 0 0 "[ . 1 . 2 . ]" 1
76 1 12 ILE MG 1 38 TRP HE3 4.950 . 5.450 2.228 1.969 3.173 . 0 0 "[ . 1 . 2 . ]" 1
77 1 12 ILE MG 1 38 TRP HH2 5.450 . 5.950 4.381 3.311 4.596 . 0 0 "[ . 1 . 2 . ]" 1
78 1 12 ILE MG 1 38 TRP HZ3 5.790 . 6.290 2.354 2.149 3.115 . 0 0 "[ . 1 . 2 . ]" 1
79 1 13 CYS H 1 14 SER H 3.570 . 4.070 1.863 1.723 2.198 0.077 23 0 "[ . 1 . 2 . ]" 1
80 1 13 CYS H 1 15 SER H 4.810 . 5.310 4.271 4.003 4.668 . 0 0 "[ . 1 . 2 . ]" 1
81 1 13 CYS HB2 1 14 SER H 5.060 . 5.560 3.578 2.723 4.125 . 0 0 "[ . 1 . 2 . ]" 1
82 1 13 CYS HB2 1 15 SER H 4.620 . 5.120 3.175 2.661 3.660 . 0 0 "[ . 1 . 2 . ]" 1
83 1 13 CYS HB3 1 14 SER H 4.550 . 5.050 4.180 3.946 4.364 . 0 0 "[ . 1 . 2 . ]" 1
84 1 13 CYS HB3 1 15 SER HB2 4.730 . 5.230 4.263 3.064 4.831 . 0 0 "[ . 1 . 2 . ]" 1
85 1 14 SER H 1 15 SER H 3.800 . 4.300 3.046 2.960 3.230 . 0 0 "[ . 1 . 2 . ]" 1
86 1 14 SER H 1 16 GLN H 4.640 . 5.140 4.359 4.087 4.604 . 0 0 "[ . 1 . 2 . ]" 1
87 1 14 SER HA 1 15 SER H 3.690 . 4.190 2.874 2.641 3.031 . 0 0 "[ . 1 . 2 . ]" 1
88 1 14 SER HB3 1 15 SER H 4.900 . 5.400 4.710 4.661 4.737 . 0 0 "[ . 1 . 2 . ]" 1
89 1 15 SER H 1 15 SER HB2 3.560 . 4.060 2.538 2.279 3.783 . 0 0 "[ . 1 . 2 . ]" 1
90 1 15 SER H 1 15 SER HB3 3.380 . 3.880 3.370 2.500 3.752 . 0 0 "[ . 1 . 2 . ]" 1
91 1 15 SER H 1 16 GLN H 3.010 . 3.510 2.137 1.735 2.451 0.065 15 0 "[ . 1 . 2 . ]" 1
92 1 15 SER H 1 16 GLN HG2 4.880 . 5.380 4.015 3.195 5.074 . 0 0 "[ . 1 . 2 . ]" 1
93 1 15 SER H 1 16 GLN QG 6.010 . 6.510 3.842 3.131 4.327 . 0 0 "[ . 1 . 2 . ]" 1
94 1 15 SER HA 1 16 GLN H 3.790 . 4.290 3.394 3.287 3.517 . 0 0 "[ . 1 . 2 . ]" 1
95 1 15 SER HB2 1 16 GLN H 3.970 . 4.470 3.601 3.192 4.180 . 0 0 "[ . 1 . 2 . ]" 1
96 1 15 SER HB2 1 16 GLN HE21 4.910 . 5.410 4.323 3.556 5.079 . 0 0 "[ . 1 . 2 . ]" 1
97 1 15 SER HB3 1 16 GLN H 4.080 . 4.580 3.925 2.962 4.233 . 0 0 "[ . 1 . 2 . ]" 1
98 1 15 SER HB3 1 16 GLN HE21 5.080 . 5.580 4.192 3.175 5.201 . 0 0 "[ . 1 . 2 . ]" 1
99 1 16 GLN H 1 16 GLN HB2 4.190 . 4.690 3.388 2.596 3.970 . 0 0 "[ . 1 . 2 . ]" 1
100 1 16 GLN H 1 16 GLN HB3 3.670 . 4.170 3.590 3.355 3.851 . 0 0 "[ . 1 . 2 . ]" 1
101 1 16 GLN H 1 16 GLN HG2 4.110 . 4.610 2.912 2.411 3.800 . 0 0 "[ . 1 . 2 . ]" 1
102 1 16 GLN H 1 16 GLN QG 4.180 . 4.680 2.798 2.348 3.240 . 0 0 "[ . 1 . 2 . ]" 1
103 1 16 GLN H 1 18 GLY H 4.860 . 5.360 4.206 3.775 4.982 . 0 0 "[ . 1 . 2 . ]" 1
104 1 16 GLN HA 1 16 GLN HE21 5.580 . 6.080 4.057 2.210 5.070 . 0 0 "[ . 1 . 2 . ]" 1
105 1 16 GLN HA 1 16 GLN HG2 4.080 . 4.580 3.384 2.464 3.768 . 0 0 "[ . 1 . 2 . ]" 1
106 1 16 GLN HA 1 16 GLN HG3 4.230 . 4.730 3.834 3.256 4.281 . 0 0 "[ . 1 . 2 . ]" 1
107 1 16 GLN HA 1 17 PRO HD2 3.180 . 3.680 2.807 2.289 3.193 . 0 0 "[ . 1 . 2 . ]" 1
108 1 16 GLN HA 1 17 PRO HD3 3.310 . 3.810 2.151 1.886 2.578 . 0 0 "[ . 1 . 2 . ]" 1
109 1 16 GLN HB2 1 17 PRO HD2 4.060 . 4.560 2.802 1.938 3.914 . 0 0 "[ . 1 . 2 . ]" 1
110 1 16 GLN HB2 1 17 PRO HD3 3.950 . 4.450 3.638 2.511 4.277 . 0 0 "[ . 1 . 2 . ]" 1
111 1 16 GLN HB2 1 18 GLY H 5.120 . 5.620 3.708 2.762 5.362 . 0 0 "[ . 1 . 2 . ]" 1
112 1 16 GLN HB3 1 17 PRO HD2 4.670 . 5.170 2.928 2.006 3.835 . 0 0 "[ . 1 . 2 . ]" 1
113 1 16 GLN HE21 1 17 PRO HD2 5.750 . 6.250 5.464 4.377 5.865 . 0 0 "[ . 1 . 2 . ]" 1
114 1 16 GLN HG2 1 17 PRO HD2 4.870 . 5.370 4.726 4.067 5.012 . 0 0 "[ . 1 . 2 . ]" 1
115 1 17 PRO QB 1 18 GLY H 5.530 . 6.030 3.705 3.312 4.066 . 0 0 "[ . 1 . 2 . ]" 1
116 1 18 GLY H 1 19 PRO HD2 4.760 . 5.260 3.507 2.704 4.802 . 0 0 "[ . 1 . 2 . ]" 1
117 1 18 GLY H 1 19 PRO HD3 4.810 . 5.310 3.089 2.299 4.830 . 0 0 "[ . 1 . 2 . ]" 1
118 1 18 GLY QA 1 30 TYR QD 4.900 . 5.400 3.681 2.909 3.959 . 0 0 "[ . 1 . 2 . ]" 1
119 1 18 GLY QA 1 32 CYS H 5.370 . 5.870 4.305 3.888 4.813 . 0 0 "[ . 1 . 2 . ]" 1
120 1 18 GLY QA 1 32 CYS HA 4.710 . 5.210 3.581 3.142 3.859 . 0 0 "[ . 1 . 2 . ]" 1
121 1 19 PRO HA 1 20 PHE HA 4.930 . 5.430 4.559 4.524 4.584 . 0 0 "[ . 1 . 2 . ]" 1
122 1 19 PRO HB2 1 20 PHE H 4.620 . 5.120 3.957 3.898 4.008 . 0 0 "[ . 1 . 2 . ]" 1
123 1 19 PRO HB2 1 20 PHE HE2 4.640 . 5.140 4.309 3.737 4.715 . 0 0 "[ . 1 . 2 . ]" 1
124 1 19 PRO HD2 1 20 PHE H 4.480 . 4.980 2.785 2.625 2.917 . 0 0 "[ . 1 . 2 . ]" 1
125 1 19 PRO HD2 1 32 CYS HA 4.200 . 4.700 2.104 1.937 2.259 . 0 0 "[ . 1 . 2 . ]" 1
126 1 19 PRO HD3 1 20 PHE QD 5.710 . 6.210 5.125 5.074 5.194 . 0 0 "[ . 1 . 2 . ]" 1
127 1 19 PRO HD3 1 32 CYS HA 3.570 . 4.070 3.639 3.462 3.729 . 0 0 "[ . 1 . 2 . ]" 1
128 1 19 PRO HG2 1 20 PHE HE2 4.900 . 5.400 3.173 3.095 3.268 . 0 0 "[ . 1 . 2 . ]" 1
129 1 19 PRO HG2 1 32 CYS HA 4.940 . 5.440 2.617 2.148 3.275 . 0 0 "[ . 1 . 2 . ]" 1
130 1 19 PRO HG3 1 20 PHE H 4.240 . 4.740 4.336 4.278 4.367 . 0 0 "[ . 1 . 2 . ]" 1
131 1 19 PRO HG3 1 32 CYS HA 4.230 . 4.730 3.373 3.022 3.823 . 0 0 "[ . 1 . 2 . ]" 1
132 1 20 PHE H 1 20 PHE HB2 3.510 . 4.010 2.695 2.622 2.770 . 0 0 "[ . 1 . 2 . ]" 1
133 1 20 PHE H 1 20 PHE HB3 3.970 . 4.470 3.811 3.767 3.860 . 0 0 "[ . 1 . 2 . ]" 1
134 1 20 PHE H 1 20 PHE QD 4.940 . 5.440 3.426 3.265 3.562 . 0 0 "[ . 1 . 2 . ]" 1
135 1 20 PHE H 1 31 PHE H 4.800 . 5.300 3.228 3.080 3.440 . 0 0 "[ . 1 . 2 . ]" 1
136 1 20 PHE H 1 31 PHE O 2.400 . 2.900 2.179 2.018 2.416 . 0 0 "[ . 1 . 2 . ]" 1
137 1 20 PHE H 1 32 CYS HA 5.220 . 5.720 3.555 3.451 3.769 . 0 0 "[ . 1 . 2 . ]" 1
138 1 20 PHE H 1 32 CYS HB3 5.240 . 5.740 5.026 4.693 5.308 . 0 0 "[ . 1 . 2 . ]" 1
139 1 20 PHE HA 1 21 PHE H 3.620 . 4.120 2.294 2.208 2.378 . 0 0 "[ . 1 . 2 . ]" 1
140 1 20 PHE HB3 1 21 PHE H 5.180 . 5.680 2.589 2.449 2.812 . 0 0 "[ . 1 . 2 . ]" 1
141 1 20 PHE QD 1 32 CYS HA 5.590 . 6.090 2.602 2.347 3.047 . 0 0 "[ . 1 . 2 . ]" 1
142 1 20 PHE QD 1 33 ARG H 5.950 . 6.450 3.470 3.228 3.871 . 0 0 "[ . 1 . 2 . ]" 1
143 1 20 PHE QD 1 33 ARG HA 5.060 . 5.560 3.421 3.078 3.943 . 0 0 "[ . 1 . 2 . ]" 1
144 1 20 PHE QD 1 33 ARG QB 6.780 . 7.280 3.977 3.465 4.444 . 0 0 "[ . 1 . 2 . ]" 1
145 1 20 PHE QE 1 33 ARG H 5.770 . 6.270 3.273 2.793 3.913 . 0 0 "[ . 1 . 2 . ]" 1
146 1 20 PHE QE 1 33 ARG HA 5.480 . 5.980 3.244 2.566 3.998 . 0 0 "[ . 1 . 2 . ]" 1
147 1 20 PHE QE 1 33 ARG QB 5.770 . 6.270 2.487 2.223 3.241 . 0 0 "[ . 1 . 2 . ]" 1
148 1 20 PHE HE2 1 33 ARG H 4.280 . 4.780 3.277 2.795 3.922 . 0 0 "[ . 1 . 2 . ]" 1
149 1 20 PHE HE2 1 33 ARG QB 4.610 . 5.110 2.488 2.224 3.246 . 0 0 "[ . 1 . 2 . ]" 1
150 1 20 PHE HZ 1 33 ARG QB 6.300 . 6.800 4.286 3.849 5.111 . 0 0 "[ . 1 . 2 . ]" 1
151 1 20 PHE N 1 31 PHE O 3.400 2.400 3.900 3.104 2.946 3.358 . 0 0 "[ . 1 . 2 . ]" 1
152 1 20 PHE O 1 31 PHE H 2.400 . 2.900 1.895 1.826 1.978 . 0 0 "[ . 1 . 2 . ]" 1
153 1 20 PHE O 1 31 PHE N 3.400 2.400 3.900 2.889 2.815 2.973 . 0 0 "[ . 1 . 2 . ]" 1
154 1 21 PHE H 1 30 TYR QE 6.240 . 6.740 5.572 5.324 5.643 . 0 0 "[ . 1 . 2 . ]" 1
155 1 21 PHE H 1 51 LEU H 4.350 . 4.850 2.285 2.034 2.936 . 0 0 "[ . 1 . 2 . ]" 1
156 1 21 PHE H 1 51 LEU QB 5.110 . 5.610 3.320 2.967 3.746 . 0 0 "[ . 1 . 2 . ]" 1
157 1 21 PHE H 1 52 MET HA 4.800 . 5.300 4.508 3.662 4.907 . 0 0 "[ . 1 . 2 . ]" 1
158 1 21 PHE HA 1 22 CYS H 4.800 . 5.300 2.350 2.235 2.449 . 0 0 "[ . 1 . 2 . ]" 1
159 1 21 PHE QB 1 22 CYS H 5.490 . 5.990 3.519 3.414 3.719 . 0 0 "[ . 1 . 2 . ]" 1
160 1 21 PHE QB 1 30 TYR QE 5.820 . 6.320 2.785 2.439 2.984 . 0 0 "[ . 1 . 2 . ]" 1
161 1 21 PHE QB 1 51 LEU QB 5.200 . 5.700 2.232 2.083 3.030 . 0 0 "[ . 1 . 2 . ]" 1
162 1 21 PHE QB 1 51 LEU MD2 6.170 . 6.670 3.563 2.492 4.635 . 0 0 "[ . 1 . 2 . ]" 1
163 1 21 PHE QD 1 22 CYS H 5.350 . 5.850 3.139 2.507 3.503 . 0 0 "[ . 1 . 2 . ]" 1
164 1 21 PHE QD 1 23 ARG HA 5.020 . 5.520 4.217 3.339 4.558 . 0 0 "[ . 1 . 2 . ]" 1
165 1 21 PHE QD 1 30 TYR HA 5.690 . 6.190 2.548 2.167 2.791 . 0 0 "[ . 1 . 2 . ]" 1
166 1 21 PHE QD 1 30 TYR QD 6.920 . 7.420 3.016 2.828 3.430 . 0 0 "[ . 1 . 2 . ]" 1
167 1 21 PHE QD 1 30 TYR QE 6.950 . 7.450 3.413 3.254 3.721 . 0 0 "[ . 1 . 2 . ]" 1
168 1 21 PHE QD 1 51 LEU QB 6.950 . 7.450 2.428 2.137 2.949 . 0 0 "[ . 1 . 2 . ]" 1
169 1 21 PHE QD 1 51 LEU MD1 6.650 . 7.150 3.932 2.123 4.785 . 0 0 "[ . 1 . 2 . ]" 1
170 1 21 PHE QD 1 51 LEU MD2 5.620 . 6.120 2.609 2.137 4.231 . 0 0 "[ . 1 . 2 . ]" 1
171 1 21 PHE QE 1 23 ARG HA 3.740 . 4.240 2.986 2.216 3.546 . 0 0 "[ . 1 . 2 . ]" 1
172 1 21 PHE QE 1 23 ARG QD 5.830 . 6.330 4.020 2.150 5.217 . 0 0 "[ . 1 . 2 . ]" 1
173 1 21 PHE QE 1 30 TYR QD 5.330 . 5.830 3.828 3.421 4.256 . 0 0 "[ . 1 . 2 . ]" 1
174 1 22 CYS H 1 29 LYS H 4.420 . 4.920 3.518 3.100 4.288 . 0 0 "[ . 1 . 2 . ]" 1
175 1 22 CYS H 1 36 TRP HZ3 4.450 . 4.950 3.840 3.416 4.215 . 0 0 "[ . 1 . 2 . ]" 1
176 1 22 CYS HA 1 23 ARG H 3.430 . 3.930 2.237 2.086 2.445 . 0 0 "[ . 1 . 2 . ]" 1
177 1 22 CYS HA 1 23 ARG QB 5.540 . 6.040 3.993 3.692 4.411 . 0 0 "[ . 1 . 2 . ]" 1
178 1 22 CYS HA 1 24 ASP H 4.780 . 5.280 4.387 3.557 5.199 . 0 0 "[ . 1 . 2 . ]" 1
179 1 22 CYS HA 1 36 TRP HZ3 3.970 . 4.470 3.122 2.579 3.954 . 0 0 "[ . 1 . 2 . ]" 1
180 1 22 CYS HB2 1 29 LYS H 5.060 . 5.560 4.878 3.967 5.205 . 0 0 "[ . 1 . 2 . ]" 1
181 1 22 CYS HB2 1 36 TRP HZ3 4.390 . 4.890 2.243 2.057 4.433 . 0 0 "[ . 1 . 2 . ]" 1
182 1 23 ARG H 1 23 ARG QD 5.100 . 5.600 4.246 1.694 4.817 0.106 11 0 "[ . 1 . 2 . ]" 1
183 1 23 ARG H 1 24 ASP H 3.860 . 4.360 2.860 2.194 3.793 . 0 0 "[ . 1 . 2 . ]" 1
184 1 23 ARG H 1 51 LEU MD1 6.570 . 7.070 4.665 2.758 5.563 . 0 0 "[ . 1 . 2 . ]" 1
185 1 23 ARG H 1 51 LEU MD2 6.270 . 6.770 4.306 2.781 5.224 . 0 0 "[ . 1 . 2 . ]" 1
186 1 23 ARG HA 1 24 ASP H 3.590 . 4.090 3.008 2.238 3.508 . 0 0 "[ . 1 . 2 . ]" 1
187 1 23 ARG QD 1 51 LEU MD1 5.930 . 6.430 3.511 2.342 4.411 . 0 0 "[ . 1 . 2 . ]" 1
188 1 23 ARG QD 1 51 LEU MD2 5.260 . 5.760 3.049 2.175 3.952 . 0 0 "[ . 1 . 2 . ]" 1
189 1 24 ASP H 1 24 ASP HB2 3.500 . 4.000 2.539 2.256 3.041 . 0 0 "[ . 1 . 2 . ]" 1
190 1 24 ASP H 1 24 ASP HB3 3.380 . 3.880 3.312 2.809 3.585 . 0 0 "[ . 1 . 2 . ]" 1
191 1 24 ASP H 1 25 GLN H 4.790 . 5.290 4.571 4.414 4.673 . 0 0 "[ . 1 . 2 . ]" 1
192 1 24 ASP H 1 26 VAL MG2 6.970 . 7.470 4.821 4.516 5.135 . 0 0 "[ . 1 . 2 . ]" 1
193 1 24 ASP HB2 1 26 VAL H 4.220 . 4.720 3.542 3.175 4.074 . 0 0 "[ . 1 . 2 . ]" 1
194 1 24 ASP HB2 1 27 CYS H 3.330 . 3.830 3.515 3.373 3.695 . 0 0 "[ . 1 . 2 . ]" 1
195 1 24 ASP HB3 1 26 VAL H 4.720 . 5.220 2.494 2.153 3.148 . 0 0 "[ . 1 . 2 . ]" 1
196 1 24 ASP HB3 1 27 CYS H 5.350 . 5.850 3.195 1.985 4.103 . 0 0 "[ . 1 . 2 . ]" 1
197 1 25 GLN H 1 25 GLN HB2 4.000 . 4.500 2.897 2.328 3.669 . 0 0 "[ . 1 . 2 . ]" 1
198 1 25 GLN HA 1 27 CYS H 4.780 . 5.280 4.063 3.717 4.496 . 0 0 "[ . 1 . 2 . ]" 1
199 1 25 GLN QB 1 26 VAL MG1 5.660 . 6.160 3.355 2.673 4.163 . 0 0 "[ . 1 . 2 . ]" 1
200 1 25 GLN QG 1 26 VAL H 5.370 . 5.870 3.810 2.856 4.773 . 0 0 "[ . 1 . 2 . ]" 1
201 1 25 GLN QG 1 26 VAL MG1 6.000 . 6.500 3.353 2.077 4.553 . 0 0 "[ . 1 . 2 . ]" 1
202 1 26 VAL H 1 26 VAL MG1 4.130 . 4.630 2.640 2.365 3.143 . 0 0 "[ . 1 . 2 . ]" 1
203 1 26 VAL H 1 26 VAL MG2 4.000 . 4.500 2.029 1.882 2.286 . 0 0 "[ . 1 . 2 . ]" 1
204 1 26 VAL H 1 27 CYS H 3.550 . 4.050 2.123 1.825 2.440 . 0 0 "[ . 1 . 2 . ]" 1
205 1 26 VAL HA 1 26 VAL HB 2.990 . 3.490 2.444 2.404 2.516 . 0 0 "[ . 1 . 2 . ]" 1
206 1 26 VAL HB 1 27 CYS H 4.750 . 5.250 4.250 4.104 4.395 . 0 0 "[ . 1 . 2 . ]" 1
207 1 26 VAL HB 1 45 LEU MD1 5.900 . 6.400 3.626 3.184 4.438 . 0 0 "[ . 1 . 2 . ]" 1
208 1 26 VAL MG1 1 27 CYS H 5.750 . 6.250 4.156 4.010 4.348 . 0 0 "[ . 1 . 2 . ]" 1
209 1 26 VAL MG1 1 45 LEU MD1 5.570 . 6.070 3.867 3.641 3.959 . 0 0 "[ . 1 . 2 . ]" 1
210 1 26 VAL MG2 1 27 CYS H 5.060 . 5.560 2.803 2.505 3.119 . 0 0 "[ . 1 . 2 . ]" 1
211 1 26 VAL MG2 1 45 LEU MD1 4.950 . 5.450 2.348 2.029 3.063 . 0 0 "[ . 1 . 2 . ]" 1
212 1 28 PHE H 1 29 LYS H 4.670 . 5.170 2.817 2.021 3.568 . 0 0 "[ . 1 . 2 . ]" 1
213 1 28 PHE HA 1 29 LYS H 4.800 . 5.300 2.924 2.645 3.131 . 0 0 "[ . 1 . 2 . ]" 1
214 1 29 LYS H 1 30 TYR H 5.090 . 5.590 4.462 4.422 4.568 . 0 0 "[ . 1 . 2 . ]" 1
215 1 29 LYS H 1 31 PHE QE 4.690 . 5.190 2.612 2.271 3.260 . 0 0 "[ . 1 . 2 . ]" 1
216 1 29 LYS HA 1 30 TYR H 3.740 . 4.240 2.462 2.376 2.567 . 0 0 "[ . 1 . 2 . ]" 1
217 1 29 LYS HB2 1 30 TYR H 5.070 . 5.570 3.577 3.336 3.760 . 0 0 "[ . 1 . 2 . ]" 1
218 1 29 LYS HB2 1 31 PHE QD 5.110 . 5.610 4.403 4.172 4.578 . 0 0 "[ . 1 . 2 . ]" 1
219 1 29 LYS HB2 1 31 PHE HZ 4.800 . 5.300 2.756 2.458 3.265 . 0 0 "[ . 1 . 2 . ]" 1
220 1 29 LYS HB3 1 31 PHE QE 4.830 . 5.330 4.184 3.702 4.573 . 0 0 "[ . 1 . 2 . ]" 1
221 1 29 LYS HB3 1 31 PHE HZ 4.800 . 5.300 4.328 3.924 4.816 . 0 0 "[ . 1 . 2 . ]" 1
222 1 29 LYS QG 1 31 PHE HZ 5.390 . 5.890 4.187 3.603 4.786 . 0 0 "[ . 1 . 2 . ]" 1
223 1 30 TYR H 1 30 TYR HB2 3.930 . 4.430 2.365 2.288 2.404 . 0 0 "[ . 1 . 2 . ]" 1
224 1 30 TYR HA 1 31 PHE H 3.830 . 4.330 2.259 2.179 2.307 . 0 0 "[ . 1 . 2 . ]" 1
225 1 30 TYR HA 1 31 PHE QD 5.390 . 5.890 3.599 3.192 4.186 . 0 0 "[ . 1 . 2 . ]" 1
226 1 30 TYR HB2 1 31 PHE H 4.840 . 5.340 3.976 3.884 4.109 . 0 0 "[ . 1 . 2 . ]" 1
227 1 30 TYR QD 1 31 PHE H 5.430 . 5.930 3.579 3.243 3.788 . 0 0 "[ . 1 . 2 . ]" 1
228 1 31 PHE H 1 31 PHE QD 4.940 . 5.440 3.378 3.098 3.710 . 0 0 "[ . 1 . 2 . ]" 1
229 1 31 PHE HA 1 32 CYS H 3.670 . 4.170 2.423 2.343 2.505 . 0 0 "[ . 1 . 2 . ]" 1
230 1 31 PHE HB2 1 36 TRP HE3 5.250 . 5.750 2.555 2.169 2.953 . 0 0 "[ . 1 . 2 . ]" 1
231 1 31 PHE HB3 1 36 TRP HE3 4.520 . 5.020 3.717 3.272 4.348 . 0 0 "[ . 1 . 2 . ]" 1
232 1 31 PHE QD 1 32 CYS H 6.170 . 6.670 3.683 3.529 3.837 . 0 0 "[ . 1 . 2 . ]" 1
233 1 32 CYS H 1 32 CYS HB3 4.200 . 4.700 3.130 2.906 3.293 . 0 0 "[ . 1 . 2 . ]" 1
234 1 32 CYS HA 1 33 ARG H 3.810 . 4.310 2.641 2.553 2.723 . 0 0 "[ . 1 . 2 . ]" 1
235 1 32 CYS HB2 1 33 ARG H 3.650 . 4.150 2.276 2.192 2.371 . 0 0 "[ . 1 . 2 . ]" 1
236 1 32 CYS HB3 1 33 ARG H 3.880 . 4.380 3.738 3.673 3.813 . 0 0 "[ . 1 . 2 . ]" 1
237 1 33 ARG H 1 33 ARG QB 3.680 . 4.180 2.273 2.171 2.460 . 0 0 "[ . 1 . 2 . ]" 1
238 1 33 ARG H 1 34 SER H 4.000 . 4.500 2.771 2.702 2.867 . 0 0 "[ . 1 . 2 . ]" 1
239 1 33 ARG H 1 34 SER HB2 4.880 . 5.380 4.905 4.793 4.962 . 0 0 "[ . 1 . 2 . ]" 1
240 1 33 ARG QB 1 34 SER H 4.380 . 4.880 3.104 2.672 3.711 . 0 0 "[ . 1 . 2 . ]" 1
241 1 33 ARG QB 1 37 HIS HD2 6.060 . 6.560 4.598 3.270 5.264 . 0 0 "[ . 1 . 2 . ]" 1
242 1 33 ARG QG 1 34 SER H 5.130 . 5.630 3.453 2.294 4.328 . 0 0 "[ . 1 . 2 . ]" 1
243 1 33 ARG QG 1 34 SER HA 5.280 . 5.780 3.647 3.206 4.666 . 0 0 "[ . 1 . 2 . ]" 1
244 1 33 ARG QG 1 37 HIS HD2 4.780 . 5.280 3.511 2.452 4.311 . 0 0 "[ . 1 . 2 . ]" 1
245 1 33 ARG O 1 37 HIS H 2.400 . 2.900 2.537 2.470 2.585 . 0 0 "[ . 1 . 2 . ]" 1
246 1 33 ARG O 1 37 HIS N 3.400 2.400 3.900 3.474 3.446 3.515 . 0 0 "[ . 1 . 2 . ]" 1
247 1 34 SER H 1 34 SER HB2 3.310 . 3.810 2.384 2.288 2.513 . 0 0 "[ . 1 . 2 . ]" 1
248 1 34 SER H 1 34 SER HB3 3.450 . 3.950 3.135 2.515 3.564 . 0 0 "[ . 1 . 2 . ]" 1
249 1 34 SER H 1 35 CYS H 3.800 . 4.300 2.677 2.508 2.782 . 0 0 "[ . 1 . 2 . ]" 1
250 1 34 SER H 1 37 HIS HD2 5.730 . 6.230 5.502 5.307 5.759 . 0 0 "[ . 1 . 2 . ]" 1
251 1 34 SER HA 1 37 HIS H 4.690 . 5.190 3.952 3.778 4.207 . 0 0 "[ . 1 . 2 . ]" 1
252 1 34 SER HA 1 37 HIS QB 4.340 . 4.840 3.645 3.296 3.884 . 0 0 "[ . 1 . 2 . ]" 1
253 1 34 SER HA 1 37 HIS HD2 5.750 . 6.250 3.606 3.197 4.186 . 0 0 "[ . 1 . 2 . ]" 1
254 1 34 SER HB2 1 35 CYS H 3.680 . 4.180 2.960 2.277 3.777 . 0 0 "[ . 1 . 2 . ]" 1
255 1 34 SER HB3 1 35 CYS H 3.660 . 4.160 2.967 2.202 3.521 . 0 0 "[ . 1 . 2 . ]" 1
256 1 34 SER HB3 1 35 CYS HB3 4.300 . 4.800 4.374 3.955 4.932 0.132 6 0 "[ . 1 . 2 . ]" 1
257 1 34 SER O 1 38 TRP H 2.400 . 2.900 2.559 2.486 2.626 . 0 0 "[ . 1 . 2 . ]" 1
258 1 34 SER O 1 38 TRP N 3.400 2.400 3.900 3.326 3.106 3.429 . 0 0 "[ . 1 . 2 . ]" 1
259 1 35 CYS H 1 35 CYS HB2 3.670 . 4.170 3.412 2.431 3.616 . 0 0 "[ . 1 . 2 . ]" 1
260 1 35 CYS H 1 35 CYS HB3 3.820 . 4.320 2.912 2.707 3.542 . 0 0 "[ . 1 . 2 . ]" 1
261 1 35 CYS HA 1 38 TRP H 3.840 . 4.340 2.690 2.476 3.224 . 0 0 "[ . 1 . 2 . ]" 1
262 1 35 CYS HA 1 38 TRP QB 3.770 . 4.270 2.200 1.855 2.363 . 0 0 "[ . 1 . 2 . ]" 1
263 1 35 CYS HA 1 38 TRP HD1 4.820 . 5.320 4.514 4.161 5.063 . 0 0 "[ . 1 . 2 . ]" 1
264 1 35 CYS HA 1 38 TRP HZ3 5.170 . 5.670 4.288 4.073 5.407 . 0 0 "[ . 1 . 2 . ]" 1
265 1 35 CYS HA 1 39 ARG H 4.640 . 5.140 4.405 4.300 4.582 . 0 0 "[ . 1 . 2 . ]" 1
266 1 35 CYS O 1 39 ARG H 2.400 . 2.900 2.580 2.499 2.695 . 0 0 "[ . 1 . 2 . ]" 1
267 1 35 CYS O 1 39 ARG N 3.400 2.400 3.900 3.212 3.121 3.427 . 0 0 "[ . 1 . 2 . ]" 1
268 1 36 TRP H 1 36 TRP HB2 3.520 . 4.020 2.585 2.550 2.643 . 0 0 "[ . 1 . 2 . ]" 1
269 1 36 TRP H 1 36 TRP HB3 3.310 . 3.810 2.456 2.414 2.503 . 0 0 "[ . 1 . 2 . ]" 1
270 1 36 TRP H 1 36 TRP HE3 4.840 . 5.340 4.914 4.880 4.962 . 0 0 "[ . 1 . 2 . ]" 1
271 1 36 TRP H 1 37 HIS H 3.900 . 4.400 2.673 2.593 2.751 . 0 0 "[ . 1 . 2 . ]" 1
272 1 36 TRP HA 1 40 HIS ND1 4.500 . 5.000 3.301 2.844 3.652 . 0 0 "[ . 1 . 2 . ]" 1
273 1 36 TRP HB3 1 37 HIS H 4.790 . 5.290 2.602 2.448 2.698 . 0 0 "[ . 1 . 2 . ]" 1
274 1 36 TRP HB3 1 37 HIS HE1 5.220 . 5.720 5.051 4.714 5.236 . 0 0 "[ . 1 . 2 . ]" 1
275 1 36 TRP HD1 1 37 HIS H 4.700 . 5.200 3.509 3.335 3.699 . 0 0 "[ . 1 . 2 . ]" 1
276 1 36 TRP HD1 1 37 HIS HA 4.260 . 4.760 3.188 2.936 3.405 . 0 0 "[ . 1 . 2 . ]" 1
277 1 36 TRP HD1 1 37 HIS HE1 5.420 . 5.920 3.340 3.160 3.514 . 0 0 "[ . 1 . 2 . ]" 1
278 1 36 TRP HH2 1 48 HIS HB2 5.650 . 6.150 4.008 3.640 4.477 . 0 0 "[ . 1 . 2 . ]" 1
279 1 36 TRP HH2 1 50 PRO HA 4.920 . 5.420 2.607 2.391 3.115 . 0 0 "[ . 1 . 2 . ]" 1
280 1 36 TRP HH2 1 50 PRO HD3 5.180 . 5.680 4.021 3.356 4.514 . 0 0 "[ . 1 . 2 . ]" 1
281 1 36 TRP HH2 1 51 LEU H 5.220 . 5.720 4.398 3.836 4.872 . 0 0 "[ . 1 . 2 . ]" 1
282 1 36 TRP HZ2 1 48 HIS H 4.940 . 5.440 5.082 5.005 5.154 . 0 0 "[ . 1 . 2 . ]" 1
283 1 36 TRP HZ2 1 48 HIS HA 5.800 . 6.300 5.154 4.782 5.678 . 0 0 "[ . 1 . 2 . ]" 1
284 1 36 TRP HZ2 1 48 HIS HB2 5.230 . 5.730 3.264 3.096 3.486 . 0 0 "[ . 1 . 2 . ]" 1
285 1 36 TRP HZ2 1 48 HIS HB3 5.630 . 6.130 3.502 3.048 3.952 . 0 0 "[ . 1 . 2 . ]" 1
286 1 36 TRP HZ2 1 50 PRO HA 5.410 . 5.910 4.097 3.768 4.535 . 0 0 "[ . 1 . 2 . ]" 1
287 1 36 TRP HZ2 1 50 PRO HD3 4.800 . 5.300 3.163 2.624 3.829 . 0 0 "[ . 1 . 2 . ]" 1
288 1 36 TRP HZ3 1 50 PRO HA 5.730 . 6.230 3.115 2.674 3.652 . 0 0 "[ . 1 . 2 . ]" 1
289 1 36 TRP O 1 40 HIS H 2.400 . 2.900 2.235 1.806 2.503 . 0 0 "[ . 1 . 2 . ]" 1
290 1 36 TRP O 1 40 HIS N 3.400 2.400 3.900 2.879 2.752 3.076 . 0 0 "[ . 1 . 2 . ]" 1
291 1 37 HIS H 1 37 HIS QB 3.550 . 4.050 2.361 2.306 2.386 . 0 0 "[ . 1 . 2 . ]" 1
292 1 37 HIS H 1 37 HIS HD2 4.930 . 5.430 3.816 3.468 4.191 . 0 0 "[ . 1 . 2 . ]" 1
293 1 37 HIS HA 1 37 HIS HE1 5.800 . 6.300 4.718 4.646 4.763 . 0 0 "[ . 1 . 2 . ]" 1
294 1 37 HIS HA 1 40 HIS H 4.770 . 5.270 2.998 2.788 3.256 . 0 0 "[ . 1 . 2 . ]" 1
295 1 37 HIS HA 1 40 HIS HB2 4.610 . 5.110 3.148 3.004 3.255 . 0 0 "[ . 1 . 2 . ]" 1
296 1 37 HIS HA 1 40 HIS HB3 4.550 . 5.050 4.715 4.650 4.778 . 0 0 "[ . 1 . 2 . ]" 1
297 1 38 TRP H 1 38 TRP QB 3.520 . 4.020 2.408 2.122 2.476 . 0 0 "[ . 1 . 2 . ]" 1
298 1 38 TRP H 1 38 TRP HD1 5.090 . 5.590 3.488 3.192 5.130 . 0 0 "[ . 1 . 2 . ]" 1
299 1 38 TRP HA 1 38 TRP HD1 4.470 . 4.970 2.354 2.199 3.196 . 0 0 "[ . 1 . 2 . ]" 1
300 1 38 TRP QB 1 38 TRP HZ3 5.600 . 6.100 4.726 4.696 4.791 . 0 0 "[ . 1 . 2 . ]" 1
301 1 38 TRP QB 1 39 ARG H 4.110 . 4.610 3.152 2.965 3.283 . 0 0 "[ . 1 . 2 . ]" 1
302 1 39 ARG H 1 39 ARG HB2 3.870 . 4.370 2.678 2.363 3.052 . 0 0 "[ . 1 . 2 . ]" 1
303 1 39 ARG H 1 39 ARG HB3 3.770 . 4.270 3.334 2.444 3.772 . 0 0 "[ . 1 . 2 . ]" 1
304 1 39 ARG H 1 40 HIS H 4.230 . 4.730 2.087 1.951 2.318 . 0 0 "[ . 1 . 2 . ]" 1
305 1 39 ARG HA 1 39 ARG HD3 4.480 . 4.980 2.366 1.960 4.711 . 0 0 "[ . 1 . 2 . ]" 1
306 1 39 ARG HA 1 41 SER H 4.660 . 5.160 4.188 3.460 4.615 . 0 0 "[ . 1 . 2 . ]" 1
307 1 39 ARG HA 1 42 MET ME 5.750 . 6.250 2.671 2.065 4.376 . 0 0 "[ . 1 . 2 . ]" 1
308 1 39 ARG HA 1 45 LEU MD1 6.160 . 6.660 3.963 3.601 4.213 . 0 0 "[ . 1 . 2 . ]" 1
309 1 39 ARG HB2 1 40 HIS H 4.820 . 5.320 3.773 3.126 4.428 . 0 0 "[ . 1 . 2 . ]" 1
310 1 39 ARG HB2 1 45 LEU MD1 5.700 . 6.200 4.853 4.761 5.109 . 0 0 "[ . 1 . 2 . ]" 1
311 1 39 ARG HB3 1 40 HIS H 4.170 . 4.670 3.888 3.065 4.307 . 0 0 "[ . 1 . 2 . ]" 1
312 1 39 ARG HB3 1 40 HIS HA 4.950 . 5.450 4.677 4.422 4.941 . 0 0 "[ . 1 . 2 . ]" 1
313 1 39 ARG HD2 1 45 LEU MD1 5.340 . 5.840 3.868 2.199 4.593 . 0 0 "[ . 1 . 2 . ]" 1
314 1 39 ARG HD3 1 42 MET ME 6.200 . 6.700 3.659 2.393 5.194 . 0 0 "[ . 1 . 2 . ]" 1
315 1 39 ARG HD3 1 45 LEU MD1 5.450 . 5.950 4.219 2.507 4.647 . 0 0 "[ . 1 . 2 . ]" 1
316 1 40 HIS H 1 40 HIS HB2 3.930 . 4.430 2.687 2.422 2.834 . 0 0 "[ . 1 . 2 . ]" 1
317 1 40 HIS H 1 40 HIS HB3 4.060 . 4.560 3.807 3.631 3.900 . 0 0 "[ . 1 . 2 . ]" 1
318 1 40 HIS H 1 41 SER H 3.680 . 4.180 2.194 1.911 2.663 . 0 0 "[ . 1 . 2 . ]" 1
319 1 40 HIS H 1 45 LEU MD1 6.880 . 7.380 5.077 4.755 5.269 . 0 0 "[ . 1 . 2 . ]" 1
320 1 40 HIS HA 1 42 MET ME 5.980 . 6.480 4.368 3.263 5.004 . 0 0 "[ . 1 . 2 . ]" 1
321 1 40 HIS HA 1 45 LEU HB2 4.160 . 4.660 2.394 2.073 2.690 . 0 0 "[ . 1 . 2 . ]" 1
322 1 40 HIS HA 1 45 LEU HB3 4.220 . 4.720 3.459 2.263 3.912 . 0 0 "[ . 1 . 2 . ]" 1
323 1 40 HIS HB3 1 41 SER H 4.820 . 5.320 4.441 4.325 4.552 . 0 0 "[ . 1 . 2 . ]" 1
324 1 40 HIS HD2 1 45 LEU HB2 4.500 . 5.000 2.688 2.420 3.534 . 0 0 "[ . 1 . 2 . ]" 1
325 1 40 HIS HD2 1 45 LEU HB3 4.500 . 5.000 2.080 1.901 2.269 . 0 0 "[ . 1 . 2 . ]" 1
326 1 40 HIS HD2 1 45 LEU MD1 5.400 . 5.900 3.319 2.802 4.650 . 0 0 "[ . 1 . 2 . ]" 1
327 1 40 HIS HD2 1 45 LEU HG 4.500 . 5.000 4.550 4.136 4.625 . 0 0 "[ . 1 . 2 . ]" 1
328 1 40 HIS HD2 1 48 HIS H 4.500 . 5.000 4.302 3.708 4.530 . 0 0 "[ . 1 . 2 . ]" 1
329 1 40 HIS HD2 1 48 HIS HB2 4.500 . 5.000 3.099 2.382 3.419 . 0 0 "[ . 1 . 2 . ]" 1
330 1 40 HIS HD2 1 48 HIS HB3 4.500 . 5.000 4.212 3.613 4.526 . 0 0 "[ . 1 . 2 . ]" 1
331 1 40 HIS HD2 1 48 HIS HE1 4.500 . 5.000 3.776 3.593 4.066 . 0 0 "[ . 1 . 2 . ]" 1
332 1 41 SER H 1 41 SER QB 3.500 . 4.000 2.439 2.208 2.695 . 0 0 "[ . 1 . 2 . ]" 1
333 1 41 SER H 1 42 MET QB 5.620 . 6.120 4.517 4.204 4.964 . 0 0 "[ . 1 . 2 . ]" 1
334 1 41 SER H 1 42 MET HG2 5.300 . 5.800 3.791 3.411 5.323 . 0 0 "[ . 1 . 2 . ]" 1
335 1 41 SER QB 1 42 MET H 4.040 . 4.540 3.398 2.705 3.743 . 0 0 "[ . 1 . 2 . ]" 1
336 1 41 SER QB 1 42 MET ME 6.430 . 6.930 4.748 4.257 4.862 . 0 0 "[ . 1 . 2 . ]" 1
337 1 42 MET H 1 42 MET QB 3.540 . 4.040 2.645 2.528 2.917 . 0 0 "[ . 1 . 2 . ]" 1
338 1 42 MET H 1 42 MET HG2 3.750 . 4.250 1.999 1.799 3.214 0.001 1 0 "[ . 1 . 2 . ]" 1
339 1 42 MET H 1 42 MET HG3 3.840 . 4.340 3.177 2.897 3.677 . 0 0 "[ . 1 . 2 . ]" 1
340 1 42 MET H 1 43 GLU H 5.080 . 5.580 4.561 2.739 4.672 . 0 0 "[ . 1 . 2 . ]" 1
341 1 42 MET HA 1 42 MET HG2 3.960 . 4.460 3.713 3.660 3.745 . 0 0 "[ . 1 . 2 . ]" 1
342 1 42 MET HA 1 43 GLU H 3.540 . 4.040 2.355 2.231 3.042 . 0 0 "[ . 1 . 2 . ]" 1
343 1 42 MET HA 1 43 GLU HA 4.710 . 5.210 4.308 4.222 4.927 . 0 0 "[ . 1 . 2 . ]" 1
344 1 42 MET ME 1 45 LEU MD1 5.870 . 6.370 3.254 2.206 3.983 . 0 0 "[ . 1 . 2 . ]" 1
345 1 42 MET HG2 1 44 GLY QA 5.890 . 6.390 4.830 3.184 5.212 . 0 0 "[ . 1 . 2 . ]" 1
346 1 42 MET HG2 1 45 LEU MD1 5.560 . 6.060 3.399 2.524 4.645 . 0 0 "[ . 1 . 2 . ]" 1
347 1 42 MET HG3 1 43 GLU H 4.930 . 5.430 3.978 3.701 4.794 . 0 0 "[ . 1 . 2 . ]" 1
348 1 42 MET HG3 1 44 GLY H 5.460 . 5.960 2.502 2.093 3.435 . 0 0 "[ . 1 . 2 . ]" 1
349 1 42 MET HG3 1 44 GLY QA 4.280 . 4.780 3.419 2.986 3.863 . 0 0 "[ . 1 . 2 . ]" 1
350 1 43 GLU H 1 43 GLU HB2 3.820 . 4.320 2.815 2.299 3.605 . 0 0 "[ . 1 . 2 . ]" 1
351 1 43 GLU H 1 43 GLU HB3 3.670 . 4.170 2.980 2.459 3.673 . 0 0 "[ . 1 . 2 . ]" 1
352 1 43 GLU HA 1 45 LEU H 4.210 . 4.710 3.868 3.537 4.185 . 0 0 "[ . 1 . 2 . ]" 1
353 1 44 GLY H 1 45 LEU H 4.180 . 4.680 2.521 1.786 2.704 0.014 7 0 "[ . 1 . 2 . ]" 1
354 1 45 LEU H 1 45 LEU HG 3.500 . 4.000 3.194 2.887 3.908 . 0 0 "[ . 1 . 2 . ]" 1
355 1 45 LEU H 1 46 ARG H 3.220 . 3.720 2.277 1.923 2.522 . 0 0 "[ . 1 . 2 . ]" 1
356 1 45 LEU H 1 46 ARG QD 6.010 . 6.510 4.846 3.924 5.423 . 0 0 "[ . 1 . 2 . ]" 1
357 1 45 LEU H 1 46 ARG QG 4.760 . 5.260 3.414 3.004 4.237 . 0 0 "[ . 1 . 2 . ]" 1
358 1 45 LEU HA 1 46 ARG QG 5.880 . 6.380 4.827 4.476 5.270 . 0 0 "[ . 1 . 2 . ]" 1
359 1 45 LEU HB2 1 48 HIS HE1 4.500 . 5.000 4.411 4.272 4.584 . 0 0 "[ . 1 . 2 . ]" 1
360 1 45 LEU HB3 1 46 ARG H 5.130 . 5.630 4.469 4.301 4.519 . 0 0 "[ . 1 . 2 . ]" 1
361 1 45 LEU HB3 1 48 HIS HE1 4.500 . 5.000 2.909 2.656 3.322 . 0 0 "[ . 1 . 2 . ]" 1
362 1 45 LEU MD1 1 47 HIS HE1 5.400 . 5.900 4.566 4.540 4.610 . 0 0 "[ . 1 . 2 . ]" 1
363 1 45 LEU MD1 1 48 HIS HE1 5.400 . 5.900 2.638 2.046 4.404 . 0 0 "[ . 1 . 2 . ]" 1
364 1 45 LEU HG 1 46 ARG H 5.530 . 6.030 4.979 4.888 5.138 . 0 0 "[ . 1 . 2 . ]" 1
365 1 45 LEU HG 1 47 HIS HE1 4.500 . 5.000 4.352 3.588 4.542 . 0 0 "[ . 1 . 2 . ]" 1
366 1 45 LEU HG 1 48 HIS HE1 4.500 . 5.000 4.125 2.281 4.591 . 0 0 "[ . 1 . 2 . ]" 1
367 1 46 ARG H 1 46 ARG QD 4.690 . 5.190 3.743 2.926 4.177 . 0 0 "[ . 1 . 2 . ]" 1
368 1 46 ARG H 1 46 ARG QG 3.680 . 4.180 2.206 1.799 2.748 0.001 26 0 "[ . 1 . 2 . ]" 1
369 1 46 ARG H 1 47 HIS H 4.560 . 5.060 2.762 2.690 3.025 . 0 0 "[ . 1 . 2 . ]" 1
370 1 46 ARG H 1 48 HIS H 5.800 . 6.300 4.547 4.413 4.804 . 0 0 "[ . 1 . 2 . ]" 1
371 1 46 ARG HA 1 46 ARG QG 3.690 . 4.190 2.845 2.250 3.473 . 0 0 "[ . 1 . 2 . ]" 1
372 1 47 HIS H 1 47 HIS HD2 5.800 . 6.300 4.535 4.377 4.600 . 0 0 "[ . 1 . 2 . ]" 1
373 1 47 HIS H 1 48 HIS H 3.930 . 4.430 2.421 2.087 2.506 . 0 0 "[ . 1 . 2 . ]" 1
374 1 47 HIS HD2 1 48 HIS H 4.610 . 5.110 4.740 4.691 4.764 . 0 0 "[ . 1 . 2 . ]" 1
375 1 47 HIS HD2 1 48 HIS HA 5.700 . 6.200 4.185 3.877 4.326 . 0 0 "[ . 1 . 2 . ]" 1
376 1 47 HIS HE1 1 48 HIS HD2 4.500 . 5.000 3.819 3.591 4.367 . 0 0 "[ . 1 . 2 . ]" 1
377 1 48 HIS H 1 48 HIS HB2 3.590 . 4.090 2.395 2.343 2.444 . 0 0 "[ . 1 . 2 . ]" 1
378 1 48 HIS H 1 48 HIS HB3 3.500 . 4.000 3.576 3.537 3.598 . 0 0 "[ . 1 . 2 . ]" 1
379 1 48 HIS H 1 48 HIS HD2 4.500 . 5.000 2.864 2.582 3.062 . 0 0 "[ . 1 . 2 . ]" 1
380 1 48 HIS H 1 49 SER H 4.790 . 5.290 4.628 4.597 4.657 . 0 0 "[ . 1 . 2 . ]" 1
381 1 48 HIS HA 1 49 SER H 3.480 . 3.980 2.354 2.283 2.440 . 0 0 "[ . 1 . 2 . ]" 1
382 1 48 HIS HA 1 49 SER HA 4.750 . 5.250 4.505 4.475 4.536 . 0 0 "[ . 1 . 2 . ]" 1
383 1 48 HIS HB2 1 49 SER H 4.680 . 5.180 3.730 3.565 3.873 . 0 0 "[ . 1 . 2 . ]" 1
384 1 48 HIS HB3 1 49 SER H 4.530 . 5.030 2.522 2.326 2.736 . 0 0 "[ . 1 . 2 . ]" 1
385 1 49 SER HA 1 50 PRO HD2 3.740 . 4.240 2.461 2.266 2.918 . 0 0 "[ . 1 . 2 . ]" 1
386 1 49 SER HA 1 50 PRO HD3 3.580 . 4.080 2.226 1.891 2.394 . 0 0 "[ . 1 . 2 . ]" 1
387 1 49 SER HA 1 50 PRO HG3 4.480 . 4.980 4.420 4.000 4.581 . 0 0 "[ . 1 . 2 . ]" 1
388 1 50 PRO HA 1 51 LEU H 3.450 . 3.950 2.244 2.144 2.340 . 0 0 "[ . 1 . 2 . ]" 1
389 1 50 PRO HB2 1 51 LEU H 4.800 . 5.300 3.199 2.762 3.910 . 0 0 "[ . 1 . 2 . ]" 1
390 1 51 LEU H 1 52 MET H 5.100 . 5.600 4.453 4.381 4.593 . 0 0 "[ . 1 . 2 . ]" 1
391 1 51 LEU QB 1 52 MET H 4.850 . 5.350 2.988 2.217 3.604 . 0 0 "[ . 1 . 2 . ]" 1
392 1 51 LEU MD2 1 52 MET H 5.990 . 6.490 4.009 3.302 4.643 . 0 0 "[ . 1 . 2 . ]" 1
393 1 52 MET HA 1 53 ARG H 4.800 . 5.300 2.602 2.179 3.558 . 0 0 "[ . 1 . 2 . ]" 1
394 1 52 MET HA 1 53 ARG QB 4.780 . 5.280 4.178 3.849 4.522 . 0 0 "[ . 1 . 2 . ]" 1
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