NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
457589 |
2kvc   |
16774 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kvc
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 1075
_Distance_constraint_stats_list.Viol_count 562
_Distance_constraint_stats_list.Viol_total 124.732
_Distance_constraint_stats_list.Viol_max 0.342
_Distance_constraint_stats_list.Viol_rms 0.0087
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0148
_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 4 MET 0.018 0.011 7 0 "[ . 1 .]"
1 5 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 6 ARG 0.050 0.046 2 0 "[ . 1 .]"
1 7 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 8 LEU 0.016 0.007 9 0 "[ . 1 .]"
1 9 THR 0.004 0.004 9 0 "[ . 1 .]"
1 10 SER 0.000 0.000 . 0 "[ . 1 .]"
1 11 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 12 VAL 0.203 0.016 7 0 "[ . 1 .]"
1 13 ALA 0.005 0.005 1 0 "[ . 1 .]"
1 14 TRP 0.273 0.020 8 0 "[ . 1 .]"
1 15 LEU 0.202 0.013 3 0 "[ . 1 .]"
1 16 ARG 0.037 0.018 6 0 "[ . 1 .]"
1 17 ALA 0.000 0.000 14 0 "[ . 1 .]"
1 18 GLY 0.265 0.053 11 0 "[ . 1 .]"
1 19 TYR 0.009 0.005 11 0 "[ . 1 .]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 21 GLU 0.221 0.090 15 0 "[ . 1 .]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 23 ILE 0.200 0.026 1 0 "[ . 1 .]"
1 24 PRO 0.058 0.013 7 0 "[ . 1 .]"
1 25 PRO 0.026 0.012 2 0 "[ . 1 .]"
1 26 THR 0.000 0.000 . 0 "[ . 1 .]"
1 27 ASP 0.144 0.026 1 0 "[ . 1 .]"
1 28 SER 0.007 0.003 9 0 "[ . 1 .]"
1 29 PHE 4.230 0.342 9 0 "[ . 1 .]"
1 30 ALA 0.060 0.009 14 0 "[ . 1 .]"
1 31 VAL 0.011 0.007 7 0 "[ . 1 .]"
1 32 LEU 0.196 0.023 3 0 "[ . 1 .]"
1 33 ALA 0.444 0.118 11 0 "[ . 1 .]"
1 34 LEU 0.064 0.009 11 0 "[ . 1 .]"
1 35 LEU 0.043 0.008 14 0 "[ . 1 .]"
1 36 CYS 0.029 0.006 13 0 "[ . 1 .]"
1 37 ARG 0.029 0.006 13 0 "[ . 1 .]"
1 38 ARG 0.223 0.024 12 0 "[ . 1 .]"
1 39 LEU 0.202 0.024 12 0 "[ . 1 .]"
1 40 SER 0.000 0.000 . 0 "[ . 1 .]"
1 41 HIS 0.024 0.010 5 0 "[ . 1 .]"
1 42 ASP 0.005 0.005 9 0 "[ . 1 .]"
1 43 GLU 0.142 0.019 11 0 "[ . 1 .]"
1 44 VAL 0.059 0.010 5 0 "[ . 1 .]"
1 45 LYS 0.192 0.022 6 0 "[ . 1 .]"
1 46 ALA 0.008 0.006 3 0 "[ . 1 .]"
1 47 VAL 0.173 0.016 8 0 "[ . 1 .]"
1 48 ALA 0.030 0.008 9 0 "[ . 1 .]"
1 49 ASN 0.008 0.006 3 0 "[ . 1 .]"
1 50 GLU 0.147 0.012 2 0 "[ . 1 .]"
1 51 LEU 0.259 0.018 6 0 "[ . 1 .]"
1 52 MET 0.105 0.014 8 0 "[ . 1 .]"
1 53 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 54 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 57 PHE 0.218 0.014 8 0 "[ . 1 .]"
1 58 ASP 0.030 0.008 8 0 "[ . 1 .]"
1 59 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 60 ILE 0.075 0.012 6 0 "[ . 1 .]"
1 61 ASP 0.045 0.009 3 0 "[ . 1 .]"
1 62 ILE 0.071 0.007 14 0 "[ . 1 .]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 64 VAL 0.037 0.009 3 0 "[ . 1 .]"
1 65 VAL 4.218 0.342 9 0 "[ . 1 .]"
1 66 ILE 0.102 0.010 4 0 "[ . 1 .]"
1 67 THR 0.169 0.022 6 0 "[ . 1 .]"
1 68 HIS 0.064 0.010 4 0 "[ . 1 .]"
1 69 PHE 0.058 0.009 7 0 "[ . 1 .]"
1 70 THR 0.026 0.006 15 0 "[ . 1 .]"
1 71 ASP 0.009 0.006 13 0 "[ . 1 .]"
1 72 GLU 0.010 0.006 15 0 "[ . 1 .]"
1 73 LEU 0.011 0.005 6 0 "[ . 1 .]"
1 74 PRO 0.540 0.118 11 0 "[ . 1 .]"
1 75 SER 0.009 0.005 11 0 "[ . 1 .]"
1 76 PRO 0.007 0.004 1 0 "[ . 1 .]"
1 77 GLU 0.076 0.021 10 0 "[ . 1 .]"
1 78 ASP 0.023 0.007 12 0 "[ . 1 .]"
1 79 VAL 0.091 0.017 14 0 "[ . 1 .]"
1 80 GLU 0.063 0.017 14 0 "[ . 1 .]"
1 81 ARG 0.017 0.017 2 0 "[ . 1 .]"
1 82 VAL 0.087 0.012 4 0 "[ . 1 .]"
1 83 ARG 0.047 0.012 10 0 "[ . 1 .]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 85 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 86 LEU 0.380 0.053 11 0 "[ . 1 .]"
1 87 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 88 ALA 0.004 0.004 2 0 "[ . 1 .]"
1 89 GLN 0.023 0.006 12 0 "[ . 1 .]"
1 90 GLY 0.001 0.001 2 0 "[ . 1 .]"
1 91 TRP 0.060 0.011 1 0 "[ . 1 .]"
1 92 PRO 0.025 0.006 14 0 "[ . 1 .]"
1 93 LEU 0.025 0.011 1 0 "[ . 1 .]"
1 94 ASP 0.128 0.034 13 0 "[ . 1 .]"
1 95 ASP 0.204 0.034 13 0 "[ . 1 .]"
1 96 VAL 0.119 0.028 5 0 "[ . 1 .]"
1 97 ARG 0.058 0.035 11 0 "[ . 1 .]"
1 98 ASP 0.075 0.035 11 0 "[ . 1 .]"
1 99 ARG 0.142 0.029 14 0 "[ . 1 .]"
1 100 GLU 0.238 0.035 15 0 "[ . 1 .]"
1 101 GLU 0.103 0.035 15 0 "[ . 1 .]"
1 102 HIS 0.008 0.008 11 0 "[ . 1 .]"
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 7 PHE HA 1 7 PHE HD1 3.610 . 3.650 2.699 2.558 2.826 . 0 0 "[ . 1 .]" 1
2 1 8 LEU HA 1 11 ILE HB 3.840 . 3.880 2.747 2.563 2.959 . 0 0 "[ . 1 .]" 1
3 1 8 LEU HA 1 11 ILE HG12 4.650 . 4.700 2.997 2.702 3.454 . 0 0 "[ . 1 .]" 1
4 1 8 LEU HA 1 11 ILE MD 5.010 . 5.060 4.435 4.193 4.799 . 0 0 "[ . 1 .]" 1
5 1 9 THR HB 1 10 SER H 4.400 . 4.440 2.668 2.486 2.818 . 0 0 "[ . 1 .]" 1
6 1 10 SER HB2 1 13 ALA MB 5.500 . 5.550 4.763 3.859 5.136 . 0 0 "[ . 1 .]" 1
7 1 10 SER HB3 1 13 ALA MB 5.500 . 5.550 4.659 4.048 5.212 . 0 0 "[ . 1 .]" 1
8 1 9 THR H 1 9 THR MG 3.930 . 3.970 3.758 3.722 3.773 . 0 0 "[ . 1 .]" 1
9 1 9 THR MG 1 10 SER H 3.990 . 4.030 3.590 3.407 3.674 . 0 0 "[ . 1 .]" 1
10 1 6 ARG HA 1 9 THR MG 4.430 . 4.470 4.049 3.475 4.474 0.004 9 0 "[ . 1 .]" 1
11 1 9 THR HA 1 9 THR MG 3.220 . 3.250 2.377 2.304 2.444 . 0 0 "[ . 1 .]" 1
12 1 11 ILE HA 1 11 ILE MG 3.500 . 3.540 2.432 2.413 2.468 . 0 0 "[ . 1 .]" 1
13 1 11 ILE HA 1 14 TRP HE3 3.920 . 3.960 2.542 2.064 2.993 . 0 0 "[ . 1 .]" 1
14 1 8 LEU HA 1 11 ILE HG13 4.650 . 4.700 3.251 2.986 3.661 . 0 0 "[ . 1 .]" 1
15 1 11 ILE H 1 11 ILE MG 4.220 . 4.260 3.775 3.766 3.785 . 0 0 "[ . 1 .]" 1
16 1 11 ILE MG 1 14 TRP HZ3 4.170 . 4.210 2.923 2.545 3.611 . 0 0 "[ . 1 .]" 1
17 1 11 ILE MG 1 14 TRP HB3 4.600 . 4.650 3.622 3.378 3.835 . 0 0 "[ . 1 .]" 1
18 1 11 ILE H 1 11 ILE MD 4.140 . 4.180 3.191 3.084 3.293 . 0 0 "[ . 1 .]" 1
19 1 11 ILE MD 1 14 TRP HE3 4.420 . 4.460 2.620 2.268 3.126 . 0 0 "[ . 1 .]" 1
20 1 11 ILE HA 1 11 ILE MD 3.450 . 3.480 1.974 1.936 1.998 . 0 0 "[ . 1 .]" 1
21 1 11 ILE MD 1 11 ILE MG 2.870 . 2.900 2.007 1.992 2.029 . 0 0 "[ . 1 .]" 1
22 1 12 VAL HA 1 15 LEU H 4.560 . 4.610 3.559 3.356 3.745 . 0 0 "[ . 1 .]" 1
23 1 12 VAL HA 1 15 LEU HB2 4.000 . 4.040 2.872 2.506 3.064 . 0 0 "[ . 1 .]" 1
24 1 12 VAL HA 1 12 VAL MG2 3.280 . 3.310 2.361 2.320 2.405 . 0 0 "[ . 1 .]" 1
25 1 12 VAL HA 1 12 VAL MG1 3.300 . 3.330 2.445 2.404 2.490 . 0 0 "[ . 1 .]" 1
26 1 12 VAL HA 1 15 LEU HG 3.410 . 3.440 3.253 3.047 3.387 . 0 0 "[ . 1 .]" 1
27 1 9 THR HA 1 12 VAL HB 4.040 . 4.080 2.654 2.377 2.919 . 0 0 "[ . 1 .]" 1
28 1 9 THR HA 1 12 VAL MG2 4.070 . 4.110 2.758 2.472 3.220 . 0 0 "[ . 1 .]" 1
29 1 12 VAL MG2 1 47 VAL HA 3.660 . 3.700 3.360 2.563 3.706 0.006 6 0 "[ . 1 .]" 1
30 1 12 VAL MG2 1 50 GLU HG2 4.250 . 4.290 3.204 1.819 4.040 . 0 0 "[ . 1 .]" 1
31 1 12 VAL MG2 1 47 VAL HB 4.120 . 4.160 3.972 3.722 4.176 0.016 10 0 "[ . 1 .]" 1
32 1 12 VAL MG2 1 51 LEU HB2 4.020 . 4.060 3.459 2.700 4.033 . 0 0 "[ . 1 .]" 1
33 1 12 VAL MG1 1 13 ALA HA 4.040 . 4.080 3.321 3.162 3.421 . 0 0 "[ . 1 .]" 1
34 1 10 SER HA 1 13 ALA MB 3.320 . 3.350 2.589 2.292 2.775 . 0 0 "[ . 1 .]" 1
35 1 81 ARG HA 1 81 ARG HG2 3.870 . 3.910 3.093 2.430 3.927 0.017 2 0 "[ . 1 .]" 1
36 1 81 ARG HA 1 81 ARG HG3 3.870 . 3.910 2.764 2.378 3.587 . 0 0 "[ . 1 .]" 1
37 1 14 TRP HB2 1 17 ALA MB 5.150 . 5.200 4.680 4.519 4.861 . 0 0 "[ . 1 .]" 1
38 1 14 TRP HB2 1 92 PRO HG2 5.160 . 5.210 4.782 3.550 5.215 0.005 13 0 "[ . 1 .]" 1
39 1 14 TRP HB2 1 92 PRO HG3 4.670 . 4.720 3.606 2.737 3.866 . 0 0 "[ . 1 .]" 1
40 1 14 TRP HB3 1 92 PRO HG3 4.830 . 4.880 4.169 3.627 4.670 . 0 0 "[ . 1 .]" 1
41 1 13 ALA MB 1 14 TRP HB3 5.130 . 5.180 4.422 4.353 4.508 . 0 0 "[ . 1 .]" 1
42 1 14 TRP HB3 1 17 ALA MB 5.500 . 5.550 5.113 4.972 5.246 . 0 0 "[ . 1 .]" 1
43 1 15 LEU HA 1 18 GLY H 4.640 . 4.690 3.526 3.426 3.674 . 0 0 "[ . 1 .]" 1
44 1 14 TRP HD1 1 15 LEU HA 5.160 . 5.210 5.177 5.086 5.213 0.003 10 0 "[ . 1 .]" 1
45 1 15 LEU HA 1 15 LEU MD2 3.360 . 3.390 1.980 1.937 2.018 . 0 0 "[ . 1 .]" 1
46 1 15 LEU HB2 1 16 ARG H 4.290 . 4.330 2.473 2.360 2.562 . 0 0 "[ . 1 .]" 1
47 1 12 VAL HA 1 15 LEU HB3 4.790 . 4.840 4.476 4.108 4.657 . 0 0 "[ . 1 .]" 1
48 1 14 TRP HB3 1 15 LEU HG 5.230 . 5.280 3.509 3.382 3.640 . 0 0 "[ . 1 .]" 1
49 1 15 LEU HG 1 16 ARG H 5.500 . 5.550 4.252 4.157 4.336 . 0 0 "[ . 1 .]" 1
50 1 14 TRP HD1 1 15 LEU MD2 4.990 . 5.040 5.038 4.896 5.053 0.013 3 0 "[ . 1 .]" 1
51 1 14 TRP HB3 1 15 LEU MD2 3.790 . 3.830 3.614 3.374 3.787 . 0 0 "[ . 1 .]" 1
52 1 15 LEU HB3 1 15 LEU MD1 3.540 . 3.580 2.300 2.289 2.311 . 0 0 "[ . 1 .]" 1
53 1 16 ARG HA 1 19 TYR HB2 4.470 . 4.510 3.789 3.221 4.274 . 0 0 "[ . 1 .]" 1
54 1 16 ARG HA 1 51 LEU MD1 5.470 . 5.520 3.811 3.309 4.661 . 0 0 "[ . 1 .]" 1
55 1 16 ARG HA 1 51 LEU MD2 5.470 . 5.520 3.814 3.258 5.005 . 0 0 "[ . 1 .]" 1
56 1 16 ARG HA 1 16 ARG HD2 5.500 . 5.550 4.843 4.640 5.534 . 0 0 "[ . 1 .]" 1
57 1 16 ARG HA 1 16 ARG HD3 5.500 . 5.550 5.239 4.740 5.542 . 0 0 "[ . 1 .]" 1
58 1 12 VAL MG1 1 16 ARG HD2 4.350 . 4.390 3.267 2.433 4.396 0.006 14 0 "[ . 1 .]" 1
59 1 14 TRP HA 1 17 ALA MB 3.720 . 3.760 2.610 2.496 2.753 . 0 0 "[ . 1 .]" 1
60 1 17 ALA MB 1 89 GLN HB2 4.580 . 4.630 3.685 3.121 4.553 . 0 0 "[ . 1 .]" 1
61 1 17 ALA MB 1 18 GLY HA3 4.660 . 4.710 4.329 4.162 4.419 . 0 0 "[ . 1 .]" 1
62 1 18 GLY HA3 1 86 LEU QD 4.260 . 4.300 1.890 1.767 2.137 0.033 11 0 "[ . 1 .]" 1
63 1 17 ALA H 1 18 GLY HA3 5.390 . 5.440 4.848 4.800 4.904 . 0 0 "[ . 1 .]" 1
64 1 17 ALA H 1 18 GLY HA2 5.390 . 5.440 5.208 5.165 5.253 . 0 0 "[ . 1 .]" 1
65 1 18 GLY HA2 1 86 LEU QD 4.260 . 4.300 2.770 2.430 3.125 . 0 0 "[ . 1 .]" 1
66 1 17 ALA MB 1 18 GLY HA2 4.660 . 4.710 3.939 3.897 3.984 . 0 0 "[ . 1 .]" 1
67 1 19 TYR HB3 1 23 ILE HA 4.930 . 4.980 2.960 2.601 3.302 . 0 0 "[ . 1 .]" 1
68 1 19 TYR H 1 20 PRO HD2 4.740 . 4.790 4.005 3.900 4.181 . 0 0 "[ . 1 .]" 1
69 1 19 TYR H 1 20 PRO HD3 4.740 . 4.790 3.198 3.007 3.366 . 0 0 "[ . 1 .]" 1
70 1 21 GLU HA 1 21 GLU HG3 3.930 . 3.970 3.740 2.968 4.060 0.090 15 0 "[ . 1 .]" 1
71 1 21 GLU HA 1 21 GLU HG2 3.930 . 3.970 3.337 2.592 3.702 . 0 0 "[ . 1 .]" 1
72 1 26 THR H 1 26 THR MG 4.400 . 4.440 2.830 2.084 3.882 . 0 0 "[ . 1 .]" 1
73 1 26 THR MG 1 27 ASP H 4.900 . 4.950 3.767 2.896 4.082 . 0 0 "[ . 1 .]" 1
74 1 26 THR HA 1 26 THR MG 3.220 . 3.250 2.335 2.179 3.214 . 0 0 "[ . 1 .]" 1
75 1 24 PRO HG2 1 27 ASP HB2 4.900 . 4.950 3.536 2.193 4.963 0.013 7 0 "[ . 1 .]" 1
76 1 23 ILE MG 1 27 ASP HB3 4.370 . 4.410 3.744 2.959 4.436 0.026 1 0 "[ . 1 .]" 1
77 1 24 PRO HG2 1 27 ASP HB3 4.900 . 4.950 4.279 3.571 4.769 . 0 0 "[ . 1 .]" 1
78 1 28 SER HB3 1 29 PHE H 4.450 . 4.490 3.541 2.506 4.128 . 0 0 "[ . 1 .]" 1
79 1 28 SER HB2 1 31 VAL HB 5.500 . 5.550 4.978 4.282 5.539 . 0 0 "[ . 1 .]" 1
80 1 28 SER HB3 1 31 VAL HB 5.500 . 5.550 4.854 4.207 5.552 0.002 5 0 "[ . 1 .]" 1
81 1 28 SER HB3 1 60 ILE MD 4.370 . 4.410 2.688 1.898 3.566 . 0 0 "[ . 1 .]" 1
82 1 29 PHE HB3 1 30 ALA H 4.640 . 4.690 3.708 3.516 3.977 . 0 0 "[ . 1 .]" 1
83 1 29 PHE HB3 1 74 PRO HB3 4.830 . 4.880 1.958 1.795 2.402 0.005 9 0 "[ . 1 .]" 1
84 1 30 ALA HA 1 74 PRO HB3 4.410 . 4.450 3.461 2.884 4.024 . 0 0 "[ . 1 .]" 1
85 1 30 ALA HA 1 33 ALA H 4.450 . 4.490 3.307 3.095 3.535 . 0 0 "[ . 1 .]" 1
86 1 30 ALA H 1 30 ALA MB 3.380 . 3.410 2.223 2.195 2.242 . 0 0 "[ . 1 .]" 1
87 1 30 ALA MB 1 79 VAL HA 3.360 . 3.390 1.894 1.791 2.166 0.009 14 0 "[ . 1 .]" 1
88 1 30 ALA MB 1 78 ASP HB3 4.040 . 4.080 2.642 1.857 3.682 . 0 0 "[ . 1 .]" 1
89 1 30 ALA MB 1 82 VAL HB 3.820 . 3.860 2.326 1.997 2.646 . 0 0 "[ . 1 .]" 1
90 1 30 ALA MB 1 74 PRO HB2 4.240 . 4.280 3.707 3.242 4.231 . 0 0 "[ . 1 .]" 1
91 1 30 ALA MB 1 82 VAL QG 3.090 . 3.120 1.894 1.829 1.975 . 0 0 "[ . 1 .]" 1
92 1 31 VAL HA 1 34 LEU HB3 4.620 . 4.670 3.641 2.580 4.673 0.003 4 0 "[ . 1 .]" 1
93 1 31 VAL HA 1 31 VAL QG 3.210 . 3.240 2.140 2.134 2.144 . 0 0 "[ . 1 .]" 1
94 1 31 VAL HA 1 82 VAL QG 3.620 . 3.660 2.553 2.201 2.788 . 0 0 "[ . 1 .]" 1
95 1 31 VAL HB 1 82 VAL QG 4.360 . 4.400 3.917 3.792 4.044 . 0 0 "[ . 1 .]" 1
96 1 19 TYR QE 1 31 VAL QG 4.030 . 4.070 3.352 2.608 3.982 . 0 0 "[ . 1 .]" 1
97 1 19 TYR QD 1 31 VAL QG 4.840 . 4.890 3.782 3.401 4.036 . 0 0 "[ . 1 .]" 1
98 1 31 VAL QG 1 86 LEU HG 4.250 . 4.290 3.558 3.071 3.980 . 0 0 "[ . 1 .]" 1
99 1 31 VAL QG 1 86 LEU QD 3.970 . 4.010 2.980 2.829 3.163 . 0 0 "[ . 1 .]" 1
100 1 31 VAL QG 1 32 LEU HA 3.830 . 3.870 3.336 3.119 3.587 . 0 0 "[ . 1 .]" 1
101 1 32 LEU HA 1 32 LEU HG 4.260 . 4.300 3.524 3.310 3.742 . 0 0 "[ . 1 .]" 1
102 1 32 LEU HA 1 32 LEU MD1 3.440 . 3.470 2.904 2.299 3.493 0.023 3 0 "[ . 1 .]" 1
103 1 32 LEU MD2 1 74 PRO HB3 4.160 . 4.200 4.204 4.176 4.211 0.011 1 0 "[ . 1 .]" 1
104 1 32 LEU HG 1 69 PHE QE 4.780 . 4.830 3.452 2.262 4.727 . 0 0 "[ . 1 .]" 1
105 1 29 PHE HA 1 32 LEU HG 4.450 . 4.490 3.441 2.277 4.491 0.001 8 0 "[ . 1 .]" 1
106 1 32 LEU HG 1 74 PRO QG 4.040 . 4.080 3.885 3.593 4.003 . 0 0 "[ . 1 .]" 1
107 1 33 ALA HA 1 69 PHE QE 4.250 . 4.290 3.383 2.870 3.995 . 0 0 "[ . 1 .]" 1
108 1 33 ALA HA 1 36 CYS HB2 4.490 . 4.530 3.544 2.902 4.193 . 0 0 "[ . 1 .]" 1
109 1 33 ALA HA 1 36 CYS HB3 4.640 . 4.690 3.425 2.815 4.690 . 0 0 "[ . 1 .]" 1
110 1 33 ALA MB 1 69 PHE QE 4.530 . 4.580 3.943 3.509 4.518 . 0 0 "[ . 1 .]" 1
111 1 30 ALA HA 1 33 ALA MB 3.220 . 3.250 2.587 2.328 2.776 . 0 0 "[ . 1 .]" 1
112 1 33 ALA MB 1 74 PRO HD2 4.150 . 4.190 3.829 3.482 4.131 . 0 0 "[ . 1 .]" 1
113 1 33 ALA MB 1 74 PRO HD3 4.150 . 4.190 3.752 3.393 4.110 . 0 0 "[ . 1 .]" 1
114 1 33 ALA MB 1 74 PRO QG 3.260 . 3.290 1.817 1.682 2.073 0.118 11 0 "[ . 1 .]" 1
115 1 34 LEU HB2 1 82 VAL QG 3.410 . 3.440 3.060 2.720 3.303 . 0 0 "[ . 1 .]" 1
116 1 34 LEU HB3 1 82 VAL QG 4.260 . 4.300 3.830 3.258 4.198 . 0 0 "[ . 1 .]" 1
117 1 34 LEU H 1 34 LEU HB3 3.920 . 3.960 3.051 2.489 3.530 . 0 0 "[ . 1 .]" 1
118 1 34 LEU HA 1 34 LEU HG 3.840 . 3.880 3.497 3.041 3.698 . 0 0 "[ . 1 .]" 1
119 1 34 LEU H 1 34 LEU HG 4.740 . 4.790 4.318 4.070 4.570 . 0 0 "[ . 1 .]" 1
120 1 34 LEU HG 1 91 TRP HZ2 4.320 . 4.360 3.742 3.126 4.360 0.000 11 0 "[ . 1 .]" 1
121 1 34 LEU HG 1 91 TRP HH2 4.010 . 4.050 2.616 1.867 4.052 0.002 15 0 "[ . 1 .]" 1
122 1 31 VAL HA 1 34 LEU HG 5.500 . 5.550 4.758 4.185 5.409 . 0 0 "[ . 1 .]" 1
123 1 34 LEU HB3 1 35 LEU HA 4.020 . 4.060 3.994 3.714 4.068 0.008 14 0 "[ . 1 .]" 1
124 1 35 LEU HA 1 35 LEU HG 3.990 . 4.030 3.120 2.474 3.654 . 0 0 "[ . 1 .]" 1
125 1 37 ARG HA 1 37 ARG HG2 3.660 . 3.700 2.560 2.402 2.688 . 0 0 "[ . 1 .]" 1
126 1 37 ARG HA 1 37 ARG HG3 3.660 . 3.700 3.215 2.982 3.608 . 0 0 "[ . 1 .]" 1
127 1 36 CYS HB3 1 37 ARG HA 4.490 . 4.530 4.394 4.260 4.533 0.003 2 0 "[ . 1 .]" 1
128 1 36 CYS HB3 1 37 ARG HG3 4.440 . 4.480 3.768 3.175 4.332 . 0 0 "[ . 1 .]" 1
129 1 36 CYS HB3 1 37 ARG HG2 4.440 . 4.480 4.290 3.672 4.486 0.006 13 0 "[ . 1 .]" 1
130 1 37 ARG H 1 37 ARG HG2 4.010 . 4.050 3.413 2.995 3.685 . 0 0 "[ . 1 .]" 1
131 1 43 GLU HA 1 44 VAL HA 4.930 . 4.980 4.707 4.682 4.733 . 0 0 "[ . 1 .]" 1
132 1 38 ARG HB2 1 39 LEU MD1 5.500 . 5.550 5.379 4.867 5.555 0.005 8 0 "[ . 1 .]" 1
133 1 38 ARG HB2 1 39 LEU MD2 5.500 . 5.550 5.270 4.923 5.533 . 0 0 "[ . 1 .]" 1
134 1 38 ARG HB2 1 93 LEU MD1 5.170 . 5.220 3.096 2.060 3.784 . 0 0 "[ . 1 .]" 1
135 1 38 ARG HB2 1 93 LEU MD2 5.170 . 5.220 2.885 1.909 4.700 . 0 0 "[ . 1 .]" 1
136 1 38 ARG HB3 1 93 LEU MD1 5.170 . 5.220 3.566 2.021 4.611 . 0 0 "[ . 1 .]" 1
137 1 38 ARG HB3 1 39 LEU MD1 5.500 . 5.550 4.067 3.517 4.316 . 0 0 "[ . 1 .]" 1
138 1 38 ARG HB3 1 39 LEU MD2 5.500 . 5.550 4.339 3.695 4.725 . 0 0 "[ . 1 .]" 1
139 1 38 ARG HG3 1 39 LEU HG 4.330 . 4.370 2.437 1.876 4.223 . 0 0 "[ . 1 .]" 1
140 1 38 ARG HG2 1 39 LEU HG 4.330 . 4.370 3.387 2.508 4.374 0.004 12 0 "[ . 1 .]" 1
141 1 38 ARG HA 1 38 ARG HD2 4.610 . 4.660 3.304 2.081 4.435 . 0 0 "[ . 1 .]" 1
142 1 38 ARG HA 1 38 ARG HD3 4.610 . 4.660 3.181 2.026 4.664 0.004 8 0 "[ . 1 .]" 1
143 1 39 LEU H 1 39 LEU HG 4.380 . 4.420 3.038 2.634 3.348 . 0 0 "[ . 1 .]" 1
144 1 42 ASP H 1 42 ASP HB2 4.080 . 4.120 2.442 2.228 2.711 . 0 0 "[ . 1 .]" 1
145 1 40 SER H 1 43 GLU HB3 4.570 . 4.620 4.046 2.872 4.482 . 0 0 "[ . 1 .]" 1
146 1 43 GLU HA 1 43 GLU HG2 4.020 . 4.060 3.605 3.547 3.735 . 0 0 "[ . 1 .]" 1
147 1 43 GLU HA 1 43 GLU HG3 4.020 . 4.060 2.465 2.315 2.997 . 0 0 "[ . 1 .]" 1
148 1 43 GLU HA 1 44 VAL MG2 5.060 . 5.110 5.108 5.068 5.118 0.008 8 0 "[ . 1 .]" 1
149 1 44 VAL H 1 44 VAL MG1 3.480 . 3.510 2.189 2.136 2.268 . 0 0 "[ . 1 .]" 1
150 1 36 CYS H 1 44 VAL MG1 4.710 . 4.760 3.484 3.107 3.960 . 0 0 "[ . 1 .]" 1
151 1 36 CYS HA 1 44 VAL MG1 3.710 . 3.750 2.920 2.304 3.685 . 0 0 "[ . 1 .]" 1
152 1 41 HIS HA 1 44 VAL MG1 4.240 . 4.280 3.485 3.244 3.679 . 0 0 "[ . 1 .]" 1
153 1 35 LEU HA 1 44 VAL MG1 4.580 . 4.630 4.051 3.709 4.465 . 0 0 "[ . 1 .]" 1
154 1 44 VAL HA 1 44 VAL MG1 3.470 . 3.500 2.355 2.329 2.386 . 0 0 "[ . 1 .]" 1
155 1 35 LEU HB2 1 44 VAL MG1 3.750 . 3.790 2.796 2.213 3.796 0.006 8 0 "[ . 1 .]" 1
156 1 39 LEU HB2 1 44 VAL MG1 3.980 . 4.020 2.617 1.995 2.946 . 0 0 "[ . 1 .]" 1
157 1 39 LEU HB3 1 44 VAL MG1 3.980 . 4.020 3.353 2.811 3.970 . 0 0 "[ . 1 .]" 1
158 1 35 LEU HB3 1 44 VAL MG1 3.750 . 3.790 2.069 1.813 2.625 . 0 0 "[ . 1 .]" 1
159 1 44 VAL MG2 1 45 LYS H 4.270 . 4.310 2.228 2.134 2.296 . 0 0 "[ . 1 .]" 1
160 1 45 LYS H 1 45 LYS HB2 4.110 . 4.150 2.604 2.445 2.730 . 0 0 "[ . 1 .]" 1
161 1 45 LYS HB2 1 46 ALA H 4.340 . 4.380 3.903 3.755 4.034 . 0 0 "[ . 1 .]" 1
162 1 42 ASP HA 1 45 LYS HB2 3.990 . 4.030 3.254 2.663 4.035 0.005 9 0 "[ . 1 .]" 1
163 1 42 ASP HA 1 45 LYS HB3 4.560 . 4.610 2.389 1.997 3.051 . 0 0 "[ . 1 .]" 1
164 1 45 LYS HB2 1 67 THR MG 3.950 . 3.990 3.979 3.920 4.012 0.022 6 0 "[ . 1 .]" 1
165 1 45 LYS HB3 1 67 THR MG 5.080 . 5.130 5.116 4.980 5.144 0.014 7 0 "[ . 1 .]" 1
166 1 45 LYS HB3 1 46 ALA MB 4.260 . 4.300 3.956 3.824 4.110 . 0 0 "[ . 1 .]" 1
167 1 45 LYS HA 1 48 ALA H 4.280 . 4.320 3.821 3.578 3.996 . 0 0 "[ . 1 .]" 1
168 1 45 LYS HA 1 48 ALA MB 3.900 . 3.940 2.923 2.721 3.146 . 0 0 "[ . 1 .]" 1
169 1 44 VAL MG2 1 45 LYS HA 5.130 . 5.180 3.346 3.296 3.427 . 0 0 "[ . 1 .]" 1
170 1 45 LYS HA 1 62 ILE MG 4.060 . 4.100 3.407 2.443 4.107 0.007 9 0 "[ . 1 .]" 1
171 1 45 LYS H 1 45 LYS HG2 5.190 . 5.240 4.441 4.320 4.546 . 0 0 "[ . 1 .]" 1
172 1 45 LYS H 1 45 LYS HG3 5.190 . 5.240 4.510 4.341 4.629 . 0 0 "[ . 1 .]" 1
173 1 46 ALA HA 1 49 ASN H 4.300 . 4.340 3.679 3.448 3.845 . 0 0 "[ . 1 .]" 1
174 1 46 ALA HA 1 49 ASN HB2 4.040 . 4.080 3.657 2.629 4.082 0.002 10 0 "[ . 1 .]" 1
175 1 46 ALA HA 1 49 ASN HB3 4.040 . 4.080 2.912 2.458 4.086 0.006 3 0 "[ . 1 .]" 1
176 1 45 LYS HB3 1 46 ALA HA 4.790 . 4.840 4.359 4.178 4.631 . 0 0 "[ . 1 .]" 1
177 1 13 ALA H 1 13 ALA MB 2.990 . 3.020 2.234 2.225 2.243 . 0 0 "[ . 1 .]" 1
178 1 46 ALA MB 1 47 VAL H 3.490 . 3.520 2.382 2.299 2.449 . 0 0 "[ . 1 .]" 1
179 1 46 ALA H 1 47 VAL HA 5.500 . 5.550 5.321 5.270 5.370 . 0 0 "[ . 1 .]" 1
180 1 47 VAL HA 1 51 LEU HB2 4.510 . 4.560 4.489 4.171 4.569 0.009 2 0 "[ . 1 .]" 1
181 1 47 VAL HB 1 48 ALA H 4.000 . 4.040 3.714 2.533 4.023 . 0 0 "[ . 1 .]" 1
182 1 47 VAL H 1 47 VAL HB 3.570 . 3.610 2.526 2.355 2.605 . 0 0 "[ . 1 .]" 1
183 1 47 VAL MG1 1 48 ALA H 4.420 . 4.460 2.336 2.111 3.050 . 0 0 "[ . 1 .]" 1
184 1 47 VAL HA 1 47 VAL MG1 3.470 . 3.500 3.088 2.521 3.225 . 0 0 "[ . 1 .]" 1
185 1 47 VAL MG1 1 51 LEU HB2 4.810 . 4.860 4.287 2.774 4.860 . 0 0 "[ . 1 .]" 1
186 1 47 VAL HA 1 47 VAL MG2 3.470 . 3.500 2.312 2.227 2.355 . 0 0 "[ . 1 .]" 1
187 1 47 VAL MG2 1 51 LEU HB2 4.810 . 4.860 3.488 3.038 4.876 0.016 8 0 "[ . 1 .]" 1
188 1 48 ALA HA 1 51 LEU HB2 3.940 . 3.980 3.488 3.055 3.877 . 0 0 "[ . 1 .]" 1
189 1 48 ALA H 1 48 ALA MB 3.170 . 3.200 2.251 2.241 2.260 . 0 0 "[ . 1 .]" 1
190 1 48 ALA MB 1 57 PHE HE2 4.540 . 4.590 3.799 2.726 4.590 . 0 0 "[ . 1 .]" 1
191 1 48 ALA MB 1 57 PHE HD2 5.500 . 5.550 4.832 3.988 5.553 0.003 8 0 "[ . 1 .]" 1
192 1 47 VAL H 1 48 ALA MB 4.940 . 4.990 4.408 4.307 4.576 . 0 0 "[ . 1 .]" 1
193 1 48 ALA MB 1 62 ILE HB 4.210 . 4.250 3.254 2.591 4.254 0.004 11 0 "[ . 1 .]" 1
194 1 49 ASN HB3 1 50 GLU H 4.650 . 4.700 2.541 2.363 3.276 . 0 0 "[ . 1 .]" 1
195 1 49 ASN H 1 49 ASN HB3 3.790 . 3.830 2.563 2.211 3.518 . 0 0 "[ . 1 .]" 1
196 1 50 GLU H 1 50 GLU HG2 4.770 . 4.820 3.262 2.036 4.580 . 0 0 "[ . 1 .]" 1
197 1 12 VAL MG2 1 50 GLU HG3 4.250 . 4.290 3.139 2.163 4.248 . 0 0 "[ . 1 .]" 1
198 1 50 GLU H 1 50 GLU HG3 4.770 . 4.820 3.822 3.249 4.419 . 0 0 "[ . 1 .]" 1
199 1 12 VAL MG2 1 50 GLU HB2 5.500 . 5.550 4.498 3.672 5.124 . 0 0 "[ . 1 .]" 1
200 1 12 VAL MG2 1 50 GLU HB3 5.500 . 5.550 4.359 2.626 5.558 0.008 10 0 "[ . 1 .]" 1
201 1 50 GLU HG3 1 51 LEU HA 4.690 . 4.740 3.384 3.176 3.643 . 0 0 "[ . 1 .]" 1
202 1 51 LEU H 1 51 LEU HG 4.630 . 4.680 4.513 4.488 4.572 . 0 0 "[ . 1 .]" 1
203 1 51 LEU HG 1 52 MET H 5.160 . 5.210 4.373 3.678 5.128 . 0 0 "[ . 1 .]" 1
204 1 51 LEU HG 1 57 PHE HD2 4.730 . 4.780 2.686 1.803 4.386 . 0 0 "[ . 1 .]" 1
205 1 51 LEU HG 1 57 PHE HE2 4.620 . 4.670 3.746 2.199 4.672 0.002 2 0 "[ . 1 .]" 1
206 1 48 ALA HA 1 51 LEU HG 5.060 . 5.110 4.733 4.192 5.118 0.008 9 0 "[ . 1 .]" 1
207 1 51 LEU H 1 51 LEU MD1 4.970 . 5.020 4.147 3.980 4.308 . 0 0 "[ . 1 .]" 1
208 1 51 LEU H 1 51 LEU MD2 4.970 . 5.020 4.057 3.634 4.281 . 0 0 "[ . 1 .]" 1
209 1 52 MET HB3 1 53 ARG H 4.760 . 4.810 3.578 3.261 3.717 . 0 0 "[ . 1 .]" 1
210 1 52 MET HG2 1 57 PHE HD2 4.830 . 4.880 3.705 2.929 4.317 . 0 0 "[ . 1 .]" 1
211 1 52 MET HG3 1 57 PHE HD2 4.780 . 4.830 3.395 2.962 3.587 . 0 0 "[ . 1 .]" 1
212 1 52 MET HA 1 52 MET HG2 4.000 . 4.040 2.452 2.341 2.519 . 0 0 "[ . 1 .]" 1
213 1 53 ARG HB3 1 54 LEU H 4.550 . 4.600 2.941 2.367 4.062 . 0 0 "[ . 1 .]" 1
214 1 53 ARG H 1 53 ARG HB3 3.960 . 4.000 2.826 2.329 3.616 . 0 0 "[ . 1 .]" 1
215 1 50 GLU HA 1 53 ARG HB3 4.990 . 5.040 3.094 1.940 4.945 . 0 0 "[ . 1 .]" 1
216 1 50 GLU HA 1 53 ARG HB2 4.990 . 5.040 3.068 2.309 3.639 . 0 0 "[ . 1 .]" 1
217 1 85 ARG HA 1 85 ARG HD2 4.640 . 4.690 3.159 2.094 4.652 . 0 0 "[ . 1 .]" 1
218 1 85 ARG HA 1 85 ARG HD3 4.640 . 4.690 3.213 2.045 4.554 . 0 0 "[ . 1 .]" 1
219 1 54 LEU HA 1 54 LEU MD1 4.300 . 4.340 2.855 1.842 3.857 . 0 0 "[ . 1 .]" 1
220 1 54 LEU HA 1 54 LEU MD2 4.300 . 4.340 2.808 1.959 3.888 . 0 0 "[ . 1 .]" 1
221 1 54 LEU H 1 54 LEU HG 4.650 . 4.700 3.636 2.283 4.550 . 0 0 "[ . 1 .]" 1
222 1 60 ILE HA 1 60 ILE MD 4.460 . 4.500 4.110 3.597 4.199 . 0 0 "[ . 1 .]" 1
223 1 28 SER HB2 1 60 ILE MD 4.370 . 4.410 2.730 2.016 4.163 . 0 0 "[ . 1 .]" 1
224 1 60 ILE HB 1 60 ILE MD 3.620 . 3.660 2.563 2.426 3.235 . 0 0 "[ . 1 .]" 1
225 1 60 ILE HA 1 60 ILE MG 3.400 . 3.430 2.299 2.246 2.390 . 0 0 "[ . 1 .]" 1
226 1 60 ILE H 1 60 ILE HG12 4.280 . 4.320 2.275 2.024 3.030 . 0 0 "[ . 1 .]" 1
227 1 60 ILE H 1 60 ILE MG 4.210 . 4.250 3.082 2.852 3.262 . 0 0 "[ . 1 .]" 1
228 1 60 ILE MG 1 61 ASP H 4.590 . 4.640 3.505 3.349 3.735 . 0 0 "[ . 1 .]" 1
229 1 57 PHE HE1 1 60 ILE MG 5.500 . 5.550 4.864 4.092 5.402 . 0 0 "[ . 1 .]" 1
230 1 52 MET ME 1 60 ILE MG 5.070 . 5.120 4.292 3.669 4.738 . 0 0 "[ . 1 .]" 1
231 1 61 ASP HB3 1 64 VAL HB 4.450 . 4.490 3.241 2.155 4.495 0.005 10 0 "[ . 1 .]" 1
232 1 61 ASP HB2 1 64 VAL HB 4.450 . 4.490 3.740 2.586 4.499 0.009 3 0 "[ . 1 .]" 1
233 1 62 ILE HA 1 62 ILE MG 3.630 . 3.670 2.500 2.425 2.669 . 0 0 "[ . 1 .]" 1
234 1 62 ILE H 1 62 ILE MD 4.660 . 4.710 3.608 3.281 3.918 . 0 0 "[ . 1 .]" 1
235 1 57 PHE HE1 1 62 ILE MD 4.620 . 4.670 3.054 2.222 4.370 . 0 0 "[ . 1 .]" 1
236 1 62 ILE HA 1 62 ILE MD 3.880 . 3.920 2.277 1.798 3.810 0.002 2 0 "[ . 1 .]" 1
237 1 60 ILE HB 1 62 ILE MD 4.780 . 4.830 4.451 4.048 4.834 0.004 10 0 "[ . 1 .]" 1
238 1 48 ALA MB 1 62 ILE MD 4.320 . 4.360 3.126 1.964 4.365 0.005 9 0 "[ . 1 .]" 1
239 1 60 ILE MD 1 62 ILE MD 3.420 . 3.450 2.639 2.081 3.196 . 0 0 "[ . 1 .]" 1
240 1 64 VAL HA 1 64 VAL MG1 3.460 . 3.490 2.535 2.362 3.222 . 0 0 "[ . 1 .]" 1
241 1 64 VAL HA 1 64 VAL MG2 3.460 . 3.490 2.360 2.269 2.440 . 0 0 "[ . 1 .]" 1
242 1 64 VAL MG1 1 65 VAL H 4.440 . 4.480 3.283 2.249 3.643 . 0 0 "[ . 1 .]" 1
243 1 64 VAL MG2 1 65 VAL H 4.440 . 4.480 3.855 3.713 4.048 . 0 0 "[ . 1 .]" 1
244 1 62 ILE HA 1 65 VAL HB 4.280 . 4.320 3.002 2.219 3.526 . 0 0 "[ . 1 .]" 1
245 1 65 VAL HB 1 66 ILE MG 4.440 . 4.480 3.047 2.756 3.451 . 0 0 "[ . 1 .]" 1
246 1 65 VAL HA 1 65 VAL MG1 3.620 . 3.660 2.399 2.283 2.476 . 0 0 "[ . 1 .]" 1
247 1 65 VAL H 1 65 VAL MG2 4.100 . 4.140 2.130 1.972 2.350 . 0 0 "[ . 1 .]" 1
248 1 65 VAL HA 1 65 VAL MG2 3.620 . 3.660 2.389 2.322 2.506 . 0 0 "[ . 1 .]" 1
249 1 66 ILE HB 1 67 THR H 4.870 . 4.920 3.973 3.742 4.201 . 0 0 "[ . 1 .]" 1
250 1 66 ILE HA 1 68 HIS H 4.500 . 4.540 4.051 3.846 4.366 . 0 0 "[ . 1 .]" 1
251 1 66 ILE HA 1 66 ILE MG 3.510 . 3.550 2.327 2.293 2.380 . 0 0 "[ . 1 .]" 1
252 1 67 THR H 1 67 THR HB 4.080 . 4.120 3.684 3.600 3.731 . 0 0 "[ . 1 .]" 1
253 1 67 THR HA 1 67 THR MG 3.120 . 3.150 2.318 2.236 2.394 . 0 0 "[ . 1 .]" 1
254 1 68 HIS H 1 69 PHE HA 4.500 . 4.540 4.303 4.065 4.541 0.001 5 0 "[ . 1 .]" 1
255 1 70 THR MG 1 71 ASP H 4.580 . 4.630 2.366 1.794 3.617 0.006 13 0 "[ . 1 .]" 1
256 1 70 THR HA 1 70 THR MG 3.320 . 3.350 2.346 2.179 3.211 . 0 0 "[ . 1 .]" 1
257 1 72 GLU H 1 72 GLU HG2 5.250 . 5.300 3.882 2.029 4.739 . 0 0 "[ . 1 .]" 1
258 1 72 GLU H 1 72 GLU HG3 5.250 . 5.300 3.671 2.480 4.663 . 0 0 "[ . 1 .]" 1
259 1 33 ALA MB 1 74 PRO HB3 4.260 . 4.300 3.530 2.771 4.001 . 0 0 "[ . 1 .]" 1
260 1 29 PHE HB2 1 74 PRO HB3 4.830 . 4.880 2.723 2.035 3.187 . 0 0 "[ . 1 .]" 1
261 1 30 ALA HA 1 74 PRO QG 4.910 . 4.960 3.467 3.101 4.078 . 0 0 "[ . 1 .]" 1
262 1 69 PHE QD 1 74 PRO HD2 4.620 . 4.670 3.555 2.855 4.014 . 0 0 "[ . 1 .]" 1
263 1 75 SER H 1 75 SER HB2 4.020 . 4.060 2.886 2.510 3.651 . 0 0 "[ . 1 .]" 1
264 1 76 PRO HB3 1 77 GLU H 4.390 . 4.430 3.992 3.697 4.223 . 0 0 "[ . 1 .]" 1
265 1 75 SER HA 1 76 PRO HD2 3.850 . 3.890 2.438 1.895 2.870 . 0 0 "[ . 1 .]" 1
266 1 75 SER HA 1 76 PRO HD3 3.850 . 3.890 2.168 1.833 2.562 . 0 0 "[ . 1 .]" 1
267 1 77 GLU HA 1 77 GLU HG3 3.740 . 3.780 3.210 2.502 3.782 0.002 10 0 "[ . 1 .]" 1
268 1 77 GLU HA 1 80 GLU HB3 4.210 . 4.250 3.251 2.151 4.266 0.016 5 0 "[ . 1 .]" 1
269 1 77 GLU H 1 77 GLU HG2 4.640 . 4.690 3.300 1.888 4.598 . 0 0 "[ . 1 .]" 1
270 1 77 GLU H 1 77 GLU HG3 4.640 . 4.690 3.230 2.107 4.477 . 0 0 "[ . 1 .]" 1
271 1 77 GLU HA 1 77 GLU HG2 3.740 . 3.780 3.126 2.364 3.782 0.002 15 0 "[ . 1 .]" 1
272 1 75 SER H 1 78 ASP HB3 4.920 . 4.970 3.828 2.442 4.975 0.005 11 0 "[ . 1 .]" 1
273 1 30 ALA MB 1 78 ASP HB2 4.040 . 4.080 3.348 2.412 4.087 0.007 12 0 "[ . 1 .]" 1
274 1 79 VAL HA 1 81 ARG H 4.780 . 4.830 4.355 4.088 4.577 . 0 0 "[ . 1 .]" 1
275 1 79 VAL HA 1 82 VAL HB 4.380 . 4.420 3.901 3.505 4.138 . 0 0 "[ . 1 .]" 1
276 1 79 VAL HA 1 82 VAL QG 3.700 . 3.740 2.199 1.845 2.593 . 0 0 "[ . 1 .]" 1
277 1 79 VAL HA 1 79 VAL MG2 3.440 . 3.470 2.530 2.304 3.217 . 0 0 "[ . 1 .]" 1
278 1 79 VAL HA 1 79 VAL MG1 3.440 . 3.470 2.409 2.287 2.499 . 0 0 "[ . 1 .]" 1
279 1 80 GLU HA 1 83 ARG HB2 3.880 . 3.920 3.100 2.790 3.488 . 0 0 "[ . 1 .]" 1
280 1 80 GLU HA 1 83 ARG HB3 3.880 . 3.920 2.449 2.132 2.769 . 0 0 "[ . 1 .]" 1
281 1 77 GLU HA 1 80 GLU HB2 4.210 . 4.250 3.393 2.556 4.154 . 0 0 "[ . 1 .]" 1
282 1 80 GLU H 1 80 GLU HG3 4.700 . 4.750 4.065 2.266 4.476 . 0 0 "[ . 1 .]" 1
283 1 50 GLU HG2 1 51 LEU HA 4.690 . 4.740 4.743 4.714 4.752 0.012 2 0 "[ . 1 .]" 1
284 1 78 ASP HA 1 81 ARG HB2 4.370 . 4.410 3.037 2.088 3.850 . 0 0 "[ . 1 .]" 1
285 1 78 ASP HA 1 81 ARG HB3 4.370 . 4.410 2.987 2.125 4.074 . 0 0 "[ . 1 .]" 1
286 1 82 VAL HA 1 85 ARG HB2 4.500 . 4.540 2.964 2.008 4.250 . 0 0 "[ . 1 .]" 1
287 1 82 VAL HA 1 85 ARG HB3 4.500 . 4.540 3.072 2.316 4.201 . 0 0 "[ . 1 .]" 1
288 1 82 VAL HA 1 82 VAL QG 3.260 . 3.290 2.200 2.145 2.269 . 0 0 "[ . 1 .]" 1
289 1 82 VAL HB 1 83 ARG H 4.540 . 4.590 3.841 3.721 3.933 . 0 0 "[ . 1 .]" 1
290 1 31 VAL HA 1 82 VAL HB 5.070 . 5.120 4.804 4.338 5.127 0.007 7 0 "[ . 1 .]" 1
291 1 82 VAL QG 1 83 ARG HB2 4.240 . 4.280 3.301 3.088 3.494 . 0 0 "[ . 1 .]" 1
292 1 82 VAL QG 1 83 ARG HB3 4.240 . 4.280 4.014 3.928 4.123 . 0 0 "[ . 1 .]" 1
293 1 83 ARG HA 1 91 TRP HZ3 4.150 . 4.190 2.576 2.134 2.915 . 0 0 "[ . 1 .]" 1
294 1 83 ARG HA 1 86 LEU H 4.280 . 4.320 3.800 3.578 4.014 . 0 0 "[ . 1 .]" 1
295 1 83 ARG HA 1 83 ARG HG2 4.230 . 4.270 2.939 2.474 3.203 . 0 0 "[ . 1 .]" 1
296 1 83 ARG HA 1 86 LEU HG 5.000 . 5.050 5.003 4.797 5.062 0.012 10 0 "[ . 1 .]" 1
297 1 83 ARG HA 1 83 ARG HG3 4.230 . 4.270 2.911 2.457 3.648 . 0 0 "[ . 1 .]" 1
298 1 53 ARG HA 1 53 ARG HG2 4.110 . 4.150 3.181 2.696 3.869 . 0 0 "[ . 1 .]" 1
299 1 86 LEU HA 1 89 GLN HE21 4.930 . 4.980 3.177 2.062 4.982 0.002 1 0 "[ . 1 .]" 1
300 1 86 LEU HA 1 86 LEU HG 4.140 . 4.180 3.683 3.664 3.702 . 0 0 "[ . 1 .]" 1
301 1 86 LEU HA 1 86 LEU QD 3.490 . 3.520 1.905 1.874 1.944 . 0 0 "[ . 1 .]" 1
302 1 19 TYR QE 1 86 LEU HG 4.500 . 4.540 4.434 4.114 4.534 . 0 0 "[ . 1 .]" 1
303 1 14 TRP HH2 1 86 LEU HG 5.250 . 5.300 4.636 4.252 5.161 . 0 0 "[ . 1 .]" 1
304 1 82 VAL QG 1 86 LEU HG 3.260 . 3.290 2.863 2.418 3.222 . 0 0 "[ . 1 .]" 1
305 1 86 LEU H 1 86 LEU QD 4.530 . 4.580 2.399 2.258 2.533 . 0 0 "[ . 1 .]" 1
306 1 14 TRP HD1 1 86 LEU QD 3.870 . 3.910 3.354 3.110 3.542 . 0 0 "[ . 1 .]" 1
307 1 15 LEU HA 1 86 LEU QD 3.610 . 3.650 2.141 1.899 2.314 . 0 0 "[ . 1 .]" 1
308 1 87 ALA H 1 87 ALA MB 3.150 . 3.180 2.241 2.233 2.256 . 0 0 "[ . 1 .]" 1
309 1 87 ALA MB 1 88 ALA H 3.830 . 3.870 2.879 2.837 2.903 . 0 0 "[ . 1 .]" 1
310 1 88 ALA MB 1 89 GLN HE21 4.100 . 4.140 3.681 2.343 4.144 0.004 2 0 "[ . 1 .]" 1
311 1 17 ALA MB 1 89 GLN HB3 4.580 . 4.630 3.088 2.532 3.684 . 0 0 "[ . 1 .]" 1
312 1 89 GLN HA 1 89 GLN HG3 4.190 . 4.230 2.445 2.198 2.555 . 0 0 "[ . 1 .]" 1
313 1 89 GLN HA 1 89 GLN HG2 4.190 . 4.230 3.659 3.487 3.732 . 0 0 "[ . 1 .]" 1
314 1 17 ALA MB 1 89 GLN HG3 3.830 . 3.870 3.216 2.678 3.851 . 0 0 "[ . 1 .]" 1
315 1 17 ALA MB 1 89 GLN HG2 3.830 . 3.870 2.305 1.923 3.200 . 0 0 "[ . 1 .]" 1
316 1 38 ARG HB3 1 93 LEU MD2 5.170 . 5.220 3.431 1.907 5.151 . 0 0 "[ . 1 .]" 1
317 1 35 LEU HA 1 93 LEU MD1 5.100 . 5.150 3.495 1.996 4.463 . 0 0 "[ . 1 .]" 1
318 1 35 LEU HA 1 93 LEU MD2 5.100 . 5.150 3.588 2.673 4.758 . 0 0 "[ . 1 .]" 1
319 1 14 TRP HZ3 1 93 LEU MD1 5.300 . 5.350 3.084 2.427 4.323 . 0 0 "[ . 1 .]" 1
320 1 14 TRP HZ3 1 93 LEU MD2 5.300 . 5.350 3.420 1.974 4.987 . 0 0 "[ . 1 .]" 1
321 1 91 TRP HD1 1 93 LEU MD1 5.500 . 5.550 4.746 3.577 5.561 0.011 1 0 "[ . 1 .]" 1
322 1 91 TRP HD1 1 93 LEU MD2 5.500 . 5.550 4.938 3.838 5.554 0.004 8 0 "[ . 1 .]" 1
323 1 96 VAL HA 1 96 VAL MG1 3.560 . 3.600 2.711 2.344 3.221 . 0 0 "[ . 1 .]" 1
324 1 96 VAL HA 1 96 VAL MG2 3.560 . 3.600 2.410 2.293 2.510 . 0 0 "[ . 1 .]" 1
325 1 97 ARG HA 1 97 ARG HD2 5.500 . 5.550 4.247 2.117 5.535 . 0 0 "[ . 1 .]" 1
326 1 97 ARG HA 1 97 ARG HD3 5.500 . 5.550 4.027 1.839 5.003 . 0 0 "[ . 1 .]" 1
327 1 97 ARG H 1 97 ARG HB2 4.060 . 4.100 3.012 2.430 3.847 . 0 0 "[ . 1 .]" 1
328 1 97 ARG HB3 1 98 ASP H 4.590 . 4.640 3.659 1.863 4.540 . 0 0 "[ . 1 .]" 1
329 1 99 ARG H 1 100 GLU HA 4.240 . 4.280 4.214 3.953 4.309 0.029 14 0 "[ . 1 .]" 1
330 1 41 HIS HA 1 66 ILE MD 4.130 . 4.170 3.416 2.861 4.133 . 0 0 "[ . 1 .]" 1
331 1 41 HIS HB2 1 66 ILE MD 4.690 . 4.740 3.246 2.617 4.745 0.005 6 0 "[ . 1 .]" 1
332 1 41 HIS HB3 1 66 ILE MD 4.690 . 4.740 4.247 3.438 4.745 0.005 12 0 "[ . 1 .]" 1
333 1 44 VAL HB 1 66 ILE MD 4.750 . 4.800 4.008 3.482 4.801 0.001 4 0 "[ . 1 .]" 1
334 1 66 ILE HB 1 66 ILE MD 3.600 . 3.640 2.421 2.267 2.527 . 0 0 "[ . 1 .]" 1
335 1 23 ILE H 1 23 ILE MD 4.440 . 4.480 2.475 1.794 3.819 0.006 3 0 "[ . 1 .]" 1
336 1 23 ILE MD 1 57 PHE HD2 3.840 . 3.880 3.160 2.606 3.883 0.003 1 0 "[ . 1 .]" 1
337 1 23 ILE MD 1 57 PHE HE2 3.910 . 3.950 3.049 2.489 3.765 . 0 0 "[ . 1 .]" 1
338 1 23 ILE HA 1 23 ILE MD 4.200 . 4.240 3.412 3.048 3.907 . 0 0 "[ . 1 .]" 1
339 1 23 ILE HB 1 23 ILE MD 3.690 . 3.730 2.349 2.301 2.425 . 0 0 "[ . 1 .]" 1
340 1 23 ILE MD 1 23 ILE MG 3.180 . 3.210 2.780 1.917 3.214 0.004 7 0 "[ . 1 .]" 1
341 1 23 ILE HA 1 23 ILE HG13 4.150 . 4.190 2.645 2.357 3.125 . 0 0 "[ . 1 .]" 1
342 1 23 ILE HA 1 24 PRO HD3 3.370 . 3.400 2.157 1.813 2.527 . 0 0 "[ . 1 .]" 1
343 1 19 TYR QE 1 23 ILE MG 5.500 . 5.550 3.925 3.472 4.397 . 0 0 "[ . 1 .]" 1
344 1 23 ILE MG 1 24 PRO HD3 4.460 . 4.500 3.649 3.267 4.052 . 0 0 "[ . 1 .]" 1
345 1 23 ILE HA 1 23 ILE MG 3.420 . 3.450 2.387 2.316 2.493 . 0 0 "[ . 1 .]" 1
346 1 23 ILE MG 1 27 ASP HB2 4.370 . 4.410 3.070 2.334 4.324 . 0 0 "[ . 1 .]" 1
347 1 23 ILE MG 1 31 VAL QG 3.500 . 3.540 2.460 1.973 2.885 . 0 0 "[ . 1 .]" 1
348 1 66 ILE MG 1 68 HIS H 5.170 . 5.220 5.184 5.109 5.230 0.010 4 0 "[ . 1 .]" 1
349 1 66 ILE MG 1 67 THR H 4.130 . 4.170 4.041 3.876 4.165 . 0 0 "[ . 1 .]" 1
350 1 65 VAL HA 1 66 ILE MG 5.170 . 5.220 4.867 4.705 5.069 . 0 0 "[ . 1 .]" 1
351 1 32 LEU HB2 1 66 ILE MG 4.500 . 4.540 2.375 1.810 3.205 . 0 0 "[ . 1 .]" 1
352 1 32 LEU HB3 1 66 ILE MG 4.500 . 4.540 3.542 2.516 4.302 . 0 0 "[ . 1 .]" 1
353 1 66 ILE MD 1 66 ILE MG 3.360 . 3.390 2.009 1.859 3.113 . 0 0 "[ . 1 .]" 1
354 1 52 MET H 1 52 MET ME 4.990 . 5.040 4.718 4.512 4.904 . 0 0 "[ . 1 .]" 1
355 1 52 MET ME 1 62 ILE H 4.230 . 4.270 3.195 2.300 4.015 . 0 0 "[ . 1 .]" 1
356 1 52 MET ME 1 60 ILE H 3.720 . 3.760 2.626 1.799 3.348 0.001 11 0 "[ . 1 .]" 1
357 1 52 MET ME 1 57 PHE HD2 4.980 . 5.030 4.251 3.931 4.589 . 0 0 "[ . 1 .]" 1
358 1 52 MET HA 1 52 MET ME 5.110 . 5.160 4.493 4.431 4.568 . 0 0 "[ . 1 .]" 1
359 1 52 MET ME 1 59 GLN HA 5.500 . 5.550 3.532 2.217 4.336 . 0 0 "[ . 1 .]" 1
360 1 52 MET ME 1 52 MET HG2 3.460 . 3.490 2.440 2.408 2.470 . 0 0 "[ . 1 .]" 1
361 1 52 MET ME 1 52 MET HG3 3.640 . 3.680 2.559 2.510 2.625 . 0 0 "[ . 1 .]" 1
362 1 52 MET ME 1 62 ILE HG12 3.590 . 3.630 2.421 1.798 3.637 0.007 14 0 "[ . 1 .]" 1
363 1 52 MET ME 1 62 ILE HG13 3.590 . 3.630 2.422 1.856 3.591 . 0 0 "[ . 1 .]" 1
364 1 48 ALA MB 1 52 MET ME 3.540 . 3.580 3.149 2.589 3.583 0.003 7 0 "[ . 1 .]" 1
365 1 52 MET ME 1 60 ILE MD 3.970 . 4.010 3.221 2.261 3.876 . 0 0 "[ . 1 .]" 1
366 1 52 MET ME 1 62 ILE MD 3.500 . 3.540 2.632 1.796 3.527 0.004 7 0 "[ . 1 .]" 1
367 1 4 MET HA 1 4 MET ME 4.270 . 4.310 4.057 2.862 4.321 0.011 7 0 "[ . 1 .]" 1
368 1 4 MET HB2 1 5 ASN H 5.500 . 5.550 3.033 2.438 4.156 . 0 0 "[ . 1 .]" 1
369 1 4 MET HB3 1 5 ASN H 5.500 . 5.550 3.705 2.590 4.220 . 0 0 "[ . 1 .]" 1
370 1 23 ILE HA 1 23 ILE HG12 4.150 . 4.190 3.291 2.570 3.654 . 0 0 "[ . 1 .]" 1
371 1 19 TYR QD 1 24 PRO HD3 3.940 . 3.980 3.072 2.765 3.384 . 0 0 "[ . 1 .]" 1
372 1 23 ILE HA 1 24 PRO HD2 3.610 . 3.650 2.224 1.922 2.573 . 0 0 "[ . 1 .]" 1
373 1 23 ILE MG 1 24 PRO HD2 3.870 . 3.910 2.634 2.350 2.853 . 0 0 "[ . 1 .]" 1
374 1 41 HIS HA 1 44 VAL HB 4.790 . 4.840 4.599 4.363 4.850 0.010 5 0 "[ . 1 .]" 1
375 1 6 ARG HA 1 10 SER H 4.630 . 4.680 4.063 3.747 4.249 . 0 0 "[ . 1 .]" 1
376 1 6 ARG HA 1 9 THR HB 3.460 . 3.490 2.752 2.103 3.293 . 0 0 "[ . 1 .]" 1
377 1 6 ARG HA 1 6 ARG HD2 5.200 . 5.250 4.038 1.889 4.831 . 0 0 "[ . 1 .]" 1
378 1 6 ARG HA 1 6 ARG HD3 5.200 . 5.250 4.239 2.876 5.009 . 0 0 "[ . 1 .]" 1
379 1 6 ARG HA 1 6 ARG HG2 4.040 . 4.080 3.018 2.341 4.126 0.046 2 0 "[ . 1 .]" 1
380 1 6 ARG HA 1 6 ARG HG3 4.040 . 4.080 3.183 2.552 3.806 . 0 0 "[ . 1 .]" 1
381 1 12 VAL H 1 12 VAL MG1 4.190 . 4.230 3.769 3.758 3.777 . 0 0 "[ . 1 .]" 1
382 1 12 VAL MG1 1 16 ARG H 4.500 . 4.540 3.974 3.612 4.085 . 0 0 "[ . 1 .]" 1
383 1 12 VAL MG1 1 51 LEU HA 4.650 . 4.700 3.250 2.394 4.294 . 0 0 "[ . 1 .]" 1
384 1 12 VAL MG1 1 16 ARG HD3 4.350 . 4.390 3.505 2.491 4.397 0.007 6 0 "[ . 1 .]" 1
385 1 39 LEU H 1 39 LEU MD1 5.030 . 5.080 4.003 3.624 4.180 . 0 0 "[ . 1 .]" 1
386 1 82 VAL QG 1 83 ARG H . . 3.790 2.220 2.159 2.274 . 0 0 "[ . 1 .]" 1
387 1 31 VAL H 1 82 VAL QG . . 4.600 2.867 2.644 3.063 . 0 0 "[ . 1 .]" 1
388 1 82 VAL H 1 82 VAL QG . . 3.400 2.405 2.205 2.621 . 0 0 "[ . 1 .]" 1
389 1 82 VAL QG 1 86 LEU QD 4.230 . 4.270 1.824 1.788 1.921 0.012 4 0 "[ . 1 .]" 1
390 1 19 TYR QE 1 82 VAL QG . . 3.290 1.990 1.795 2.267 0.005 11 0 "[ . 1 .]" 1
391 1 53 ARG HA 1 53 ARG HG3 4.110 . 4.150 3.000 2.491 3.750 . 0 0 "[ . 1 .]" 1
392 1 91 TRP HA 1 92 PRO HD2 3.930 . 3.970 2.297 2.089 2.620 . 0 0 "[ . 1 .]" 1
393 1 91 TRP HA 1 92 PRO HD3 3.930 . 3.970 2.335 2.045 2.719 . 0 0 "[ . 1 .]" 1
394 1 11 ILE MD 1 92 PRO HG2 4.470 . 4.510 2.810 2.255 3.434 . 0 0 "[ . 1 .]" 1
395 1 11 ILE MD 1 92 PRO HG3 4.530 . 4.580 3.189 2.648 3.961 . 0 0 "[ . 1 .]" 1
396 1 24 PRO HA 1 25 PRO HD2 3.360 . 3.390 2.520 2.068 2.963 . 0 0 "[ . 1 .]" 1
397 1 24 PRO HA 1 25 PRO HD3 3.540 . 3.580 2.227 1.819 2.538 . 0 0 "[ . 1 .]" 1
398 1 23 ILE HA 1 24 PRO HG3 4.670 . 4.720 4.244 4.002 4.402 . 0 0 "[ . 1 .]" 1
399 1 23 ILE MG 1 24 PRO HG3 5.500 . 5.550 4.866 4.662 5.045 . 0 0 "[ . 1 .]" 1
400 1 23 ILE MG 1 24 PRO HG2 4.670 . 4.720 4.228 3.738 4.725 0.005 13 0 "[ . 1 .]" 1
401 1 19 TYR QD 1 24 PRO HG3 4.850 . 4.900 4.357 3.980 4.801 . 0 0 "[ . 1 .]" 1
402 1 73 LEU HA 1 74 PRO HA 3.380 . 3.410 2.203 1.796 2.567 0.004 10 0 "[ . 1 .]" 1
403 1 19 TYR HA 1 19 TYR QD 4.120 . 4.160 2.825 2.592 2.963 . 0 0 "[ . 1 .]" 1
404 1 19 TYR HA 1 20 PRO HG2 5.030 . 5.080 4.227 4.104 4.345 . 0 0 "[ . 1 .]" 1
405 1 19 TYR HA 1 20 PRO HG3 5.500 . 5.550 4.637 4.568 4.697 . 0 0 "[ . 1 .]" 1
406 1 14 TRP HZ2 1 91 TRP HE3 3.680 . 3.720 2.826 2.410 3.654 . 0 0 "[ . 1 .]" 1
407 1 14 TRP HZ2 1 86 LEU HB2 3.890 . 3.930 3.537 3.269 3.925 . 0 0 "[ . 1 .]" 1
408 1 14 TRP HZ2 1 86 LEU HB3 3.890 . 3.930 2.380 2.017 2.790 . 0 0 "[ . 1 .]" 1
409 1 14 TRP HZ2 1 86 LEU HG 4.020 . 4.060 3.835 3.530 4.068 0.008 1 0 "[ . 1 .]" 1
410 1 34 LEU HB2 1 91 TRP HZ2 5.500 . 5.550 5.432 4.939 5.559 0.009 11 0 "[ . 1 .]" 1
411 1 14 TRP HA 1 14 TRP HD1 4.350 . 4.390 2.638 2.506 2.719 . 0 0 "[ . 1 .]" 1
412 1 14 TRP H 1 14 TRP HD1 5.010 . 5.060 4.973 4.895 5.016 . 0 0 "[ . 1 .]" 1
413 1 14 TRP HB2 1 14 TRP HD1 3.880 . 3.920 3.076 3.031 3.185 . 0 0 "[ . 1 .]" 1
414 1 14 TRP HD1 1 89 GLN HB2 3.870 . 3.910 2.843 2.117 3.757 . 0 0 "[ . 1 .]" 1
415 1 14 TRP HD1 1 89 GLN HB3 3.870 . 3.910 2.925 2.033 3.601 . 0 0 "[ . 1 .]" 1
416 1 14 TRP HD1 1 17 ALA MB 4.000 . 4.040 3.721 3.502 4.040 0.000 14 0 "[ . 1 .]" 1
417 1 14 TRP HD1 1 92 PRO HG3 5.320 . 5.370 4.973 4.023 5.318 . 0 0 "[ . 1 .]" 1
418 1 69 PHE QD 1 74 PRO HD3 4.620 . 4.670 2.886 2.241 3.242 . 0 0 "[ . 1 .]" 1
419 1 69 PHE QD 1 74 PRO QG 5.500 . 5.550 4.103 3.663 4.350 . 0 0 "[ . 1 .]" 1
420 1 33 ALA MB 1 69 PHE QD 5.310 . 5.360 4.826 4.477 5.301 . 0 0 "[ . 1 .]" 1
421 1 69 PHE QE 1 74 PRO QG 4.430 . 4.470 4.043 3.252 4.306 . 0 0 "[ . 1 .]" 1
422 1 32 LEU MD1 1 69 PHE QE 4.060 . 4.100 2.538 1.882 3.092 . 0 0 "[ . 1 .]" 1
423 1 29 PHE HE1 1 65 VAL MG1 4.300 . 4.340 4.103 3.735 4.672 0.332 1 0 "[ . 1 .]" 1
424 1 29 PHE HE2 1 65 VAL MG1 4.670 . 4.720 3.469 2.687 4.356 . 0 0 "[ . 1 .]" 1
425 1 29 PHE HE1 1 65 VAL MG2 4.300 . 4.340 3.059 2.760 3.361 . 0 0 "[ . 1 .]" 1
426 1 29 PHE HE2 1 65 VAL MG2 4.670 . 4.720 3.304 2.755 3.680 . 0 0 "[ . 1 .]" 1
427 1 29 PHE HA 1 29 PHE HD1 4.980 . 5.030 2.864 1.955 3.831 . 0 0 "[ . 1 .]" 1
428 1 29 PHE HD1 1 65 VAL MG1 4.050 . 4.090 3.811 3.132 4.432 0.342 9 0 "[ . 1 .]" 1
429 1 29 PHE HD2 1 65 VAL MG1 4.400 . 4.440 3.263 2.692 3.953 . 0 0 "[ . 1 .]" 1
430 1 29 PHE HD1 1 65 VAL MG2 4.050 . 4.090 4.009 3.700 4.419 0.329 8 0 "[ . 1 .]" 1
431 1 29 PHE HD2 1 65 VAL MG2 4.400 . 4.440 4.257 3.811 4.453 0.013 4 0 "[ . 1 .]" 1
432 1 7 PHE HE1 1 11 ILE MD 4.200 . 4.240 3.694 3.212 4.086 . 0 0 "[ . 1 .]" 1
433 1 7 PHE HE2 1 11 ILE MD 4.680 . 4.730 3.418 3.052 4.065 . 0 0 "[ . 1 .]" 1
434 1 7 PHE HD2 1 8 LEU HG 4.430 . 4.470 3.513 3.069 4.146 . 0 0 "[ . 1 .]" 1
435 1 52 MET HG2 1 57 PHE HD1 3.620 . 3.660 3.602 3.162 3.674 0.014 8 0 "[ . 1 .]" 1
436 1 52 MET ME 1 57 PHE HD1 4.310 . 4.350 2.804 2.485 3.330 . 0 0 "[ . 1 .]" 1
437 1 23 ILE HB 1 57 PHE HD1 4.390 . 4.430 3.634 3.318 3.902 . 0 0 "[ . 1 .]" 1
438 1 57 PHE HD1 1 60 ILE MD 3.810 . 3.850 3.544 2.575 3.862 0.012 6 0 "[ . 1 .]" 1
439 1 23 ILE MD 1 57 PHE HD1 4.450 . 4.490 4.404 3.955 4.497 0.007 7 0 "[ . 1 .]" 1
440 1 23 ILE MG 1 57 PHE HD1 4.530 . 4.580 4.493 4.011 4.587 0.007 1 0 "[ . 1 .]" 1
441 1 52 MET HG3 1 57 PHE HE2 4.520 . 4.570 4.369 3.724 4.578 0.008 6 0 "[ . 1 .]" 1
442 1 52 MET ME 1 57 PHE HE1 4.020 . 4.060 3.188 2.747 3.499 . 0 0 "[ . 1 .]" 1
443 1 52 MET ME 1 57 PHE HE2 4.620 . 4.670 4.301 3.838 4.661 . 0 0 "[ . 1 .]" 1
444 1 51 LEU HB2 1 57 PHE HE2 4.910 . 4.960 4.529 3.599 4.960 . 12 0 "[ . 1 .]" 1
445 1 57 PHE HE1 1 60 ILE MD 3.720 . 3.760 2.298 1.797 2.876 0.003 5 0 "[ . 1 .]" 1
446 1 23 ILE MG 1 57 PHE HE1 4.060 . 4.100 3.216 2.916 4.047 . 0 0 "[ . 1 .]" 1
447 1 14 TRP HB3 1 14 TRP HE3 3.800 . 3.840 2.383 2.347 2.419 . 0 0 "[ . 1 .]" 1
448 1 14 TRP HB2 1 14 TRP HE3 4.170 . 4.210 3.674 3.531 3.721 . 0 0 "[ . 1 .]" 1
449 1 11 ILE MG 1 14 TRP HE3 3.320 . 3.350 2.251 1.902 2.793 . 0 0 "[ . 1 .]" 1
450 1 14 TRP HE3 1 15 LEU MD2 3.920 . 3.960 2.775 2.568 3.030 . 0 0 "[ . 1 .]" 1
451 1 11 ILE HA 1 14 TRP HZ3 5.400 . 5.450 4.617 4.130 5.034 . 0 0 "[ . 1 .]" 1
452 1 14 TRP HZ3 1 15 LEU MD2 3.820 . 3.860 2.884 2.717 3.327 . 0 0 "[ . 1 .]" 1
453 1 11 ILE MD 1 14 TRP HZ3 4.640 . 4.690 3.014 2.344 3.695 . 0 0 "[ . 1 .]" 1
454 1 14 TRP HH2 1 92 PRO HG2 5.010 . 5.060 4.523 3.985 5.066 0.006 14 0 "[ . 1 .]" 1
455 1 14 TRP HH2 1 93 LEU MD1 4.150 . 4.190 2.276 1.817 4.193 0.003 7 0 "[ . 1 .]" 1
456 1 14 TRP HH2 1 93 LEU MD2 4.150 . 4.190 2.881 1.859 3.658 . 0 0 "[ . 1 .]" 1
457 1 83 ARG HA 1 91 TRP HH2 4.170 . 4.210 2.381 1.798 2.900 0.002 1 0 "[ . 1 .]" 1
458 1 82 VAL QG 1 91 TRP HH2 4.190 . 4.230 3.847 3.371 4.125 . 0 0 "[ . 1 .]" 1
459 1 82 VAL QG 1 91 TRP HZ3 4.880 . 4.930 4.206 3.736 4.614 . 0 0 "[ . 1 .]" 1
460 1 87 ALA MB 1 91 TRP HZ3 3.970 . 4.010 3.315 2.869 3.792 . 0 0 "[ . 1 .]" 1
461 1 87 ALA HA 1 91 TRP HZ3 4.790 . 4.840 3.778 3.319 4.250 . 0 0 "[ . 1 .]" 1
462 1 87 ALA HA 1 91 TRP HE3 4.310 . 4.350 2.034 1.839 2.356 . 0 0 "[ . 1 .]" 1
463 1 87 ALA MB 1 91 TRP HE3 3.850 . 3.890 2.813 2.460 3.031 . 0 0 "[ . 1 .]" 1
464 1 19 TYR QE 1 24 PRO HD3 4.330 . 4.370 3.718 3.331 4.182 . 0 0 "[ . 1 .]" 1
465 1 19 TYR QE 1 24 PRO HD2 3.720 . 3.760 3.479 3.065 3.685 . 0 0 "[ . 1 .]" 1
466 1 19 TYR HB3 1 19 TYR QE 4.730 . 4.780 4.425 4.407 4.442 . 0 0 "[ . 1 .]" 1
467 1 19 TYR QE 1 24 PRO HG3 4.390 . 4.430 4.031 3.468 4.407 . 0 0 "[ . 1 .]" 1
468 1 19 TYR QE 1 82 VAL HB 4.750 . 4.800 4.249 3.650 4.677 . 0 0 "[ . 1 .]" 1
469 1 19 TYR QE 1 86 LEU QD 3.180 . 3.210 2.129 1.951 2.321 . 0 0 "[ . 1 .]" 1
470 1 19 TYR QE 1 24 PRO HG2 4.160 . 4.200 3.756 3.188 4.164 . 0 0 "[ . 1 .]" 1
471 1 19 TYR H 1 19 TYR QD 4.180 . 4.220 3.562 3.381 3.749 . 0 0 "[ . 1 .]" 1
472 1 19 TYR HB3 1 19 TYR QD 3.240 . 3.270 2.436 2.382 2.525 . 0 0 "[ . 1 .]" 1
473 1 19 TYR QD 1 86 LEU QD 3.460 . 3.490 2.538 2.040 2.944 . 0 0 "[ . 1 .]" 1
474 1 19 TYR QD 1 82 VAL QG 4.150 . 4.190 3.782 3.212 4.083 . 0 0 "[ . 1 .]" 1
475 1 19 TYR QD 1 23 ILE HA 3.870 . 3.910 3.410 3.157 3.624 . 0 0 "[ . 1 .]" 1
476 1 19 TYR QD 1 24 PRO HD2 3.780 . 3.820 3.617 3.351 3.759 . 0 0 "[ . 1 .]" 1
477 1 7 PHE H 1 8 LEU H 3.660 . 3.700 2.692 2.550 2.845 . 0 0 "[ . 1 .]" 1
478 1 7 PHE H 1 7 PHE HD2 5.370 . 5.420 4.772 4.671 4.877 . 0 0 "[ . 1 .]" 1
479 1 7 PHE H 1 7 PHE HD1 5.500 . 5.550 4.636 4.523 4.721 . 0 0 "[ . 1 .]" 1
480 1 7 PHE H 1 7 PHE HB2 3.400 . 3.430 2.522 2.452 2.597 . 0 0 "[ . 1 .]" 1
481 1 7 PHE H 1 7 PHE HB3 3.400 . 3.430 2.550 2.466 2.627 . 0 0 "[ . 1 .]" 1
482 1 7 PHE HB2 1 8 LEU H 4.250 . 4.290 3.775 3.710 3.837 . 0 0 "[ . 1 .]" 1
483 1 7 PHE HB3 1 8 LEU H 4.250 . 4.290 2.440 2.346 2.563 . 0 0 "[ . 1 .]" 1
484 1 8 LEU H 1 8 LEU HG 3.530 . 3.570 2.501 2.147 3.577 0.007 9 0 "[ . 1 .]" 1
485 1 8 LEU H 1 8 LEU HB2 4.150 . 4.190 2.478 2.362 2.543 . 0 0 "[ . 1 .]" 1
486 1 8 LEU H 1 8 LEU HB3 4.150 . 4.190 3.589 3.573 3.602 . 0 0 "[ . 1 .]" 1
487 1 8 LEU H 1 8 LEU MD1 4.320 . 4.360 3.275 1.824 3.665 . 0 0 "[ . 1 .]" 1
488 1 8 LEU H 1 8 LEU MD2 4.320 . 4.360 3.387 3.156 3.999 . 0 0 "[ . 1 .]" 1
489 1 8 LEU H 1 9 THR H 3.760 . 3.800 2.720 2.620 2.802 . 0 0 "[ . 1 .]" 1
490 1 9 THR H 1 9 THR HB 3.410 . 3.440 2.589 2.482 2.708 . 0 0 "[ . 1 .]" 1
491 1 6 ARG HA 1 9 THR H 4.230 . 4.270 3.561 3.201 4.176 . 0 0 "[ . 1 .]" 1
492 1 9 THR H 1 10 SER H 3.670 . 3.710 2.695 2.646 2.808 . 0 0 "[ . 1 .]" 1
493 1 10 SER H 1 11 ILE H 3.880 . 3.920 2.635 2.559 2.705 . 0 0 "[ . 1 .]" 1
494 1 10 SER H 1 10 SER HB2 3.940 . 3.980 2.640 2.306 3.573 . 0 0 "[ . 1 .]" 1
495 1 10 SER H 1 10 SER HB3 3.940 . 3.980 2.977 2.519 3.600 . 0 0 "[ . 1 .]" 1
496 1 10 SER H 1 13 ALA MB 4.910 . 4.960 4.713 4.510 4.828 . 0 0 "[ . 1 .]" 1
497 1 11 ILE H 1 12 VAL H 3.470 . 3.500 2.740 2.652 2.798 . 0 0 "[ . 1 .]" 1
498 1 10 SER HB2 1 11 ILE H 5.010 . 5.060 3.405 2.638 3.883 . 0 0 "[ . 1 .]" 1
499 1 10 SER HB3 1 11 ILE H 5.010 . 5.060 3.199 2.488 4.186 . 0 0 "[ . 1 .]" 1
500 1 8 LEU HA 1 11 ILE H 4.140 . 4.180 3.348 3.194 3.588 . 0 0 "[ . 1 .]" 1
501 1 11 ILE H 1 11 ILE HB 3.350 . 3.380 2.530 2.479 2.559 . 0 0 "[ . 1 .]" 1
502 1 9 THR HA 1 12 VAL H 4.090 . 4.130 3.402 3.188 3.655 . 0 0 "[ . 1 .]" 1
503 1 12 VAL H 1 12 VAL HB 3.330 . 3.360 2.544 2.480 2.621 . 0 0 "[ . 1 .]" 1
504 1 11 ILE HB 1 12 VAL H 3.830 . 3.870 2.448 2.378 2.542 . 0 0 "[ . 1 .]" 1
505 1 12 VAL H 1 12 VAL MG2 3.270 . 3.300 2.058 1.955 2.173 . 0 0 "[ . 1 .]" 1
506 1 11 ILE MG 1 12 VAL H 3.630 . 3.670 3.256 3.113 3.381 . 0 0 "[ . 1 .]" 1
507 1 12 VAL H 1 15 LEU HG 4.430 . 4.470 4.476 4.472 4.480 0.010 7 0 "[ . 1 .]" 1
508 1 10 SER HA 1 13 ALA H 4.290 . 4.330 3.411 3.039 3.651 . 0 0 "[ . 1 .]" 1
509 1 12 VAL HB 1 13 ALA H 3.520 . 3.560 2.452 2.315 2.642 . 0 0 "[ . 1 .]" 1
510 1 12 VAL MG2 1 13 ALA H 4.250 . 4.290 3.801 3.700 3.922 . 0 0 "[ . 1 .]" 1
511 1 12 VAL MG1 1 13 ALA H 3.890 . 3.930 3.231 3.084 3.340 . 0 0 "[ . 1 .]" 1
512 1 14 TRP H 1 14 TRP HB3 3.310 . 3.340 2.344 2.289 2.430 . 0 0 "[ . 1 .]" 1
513 1 11 ILE HA 1 14 TRP H 4.140 . 4.180 3.439 3.264 3.539 . 0 0 "[ . 1 .]" 1
514 1 13 ALA MB 1 14 TRP H 3.460 . 3.490 2.438 2.367 2.499 . 0 0 "[ . 1 .]" 1
515 1 11 ILE MG 1 14 TRP H 4.740 . 4.790 4.681 4.548 4.757 . 0 0 "[ . 1 .]" 1
516 1 14 TRP H 1 14 TRP HB2 3.390 . 3.420 2.628 2.520 2.679 . 0 0 "[ . 1 .]" 1
517 1 15 LEU H 1 16 ARG H 3.560 . 3.600 2.798 2.768 2.875 . 0 0 "[ . 1 .]" 1
518 1 14 TRP H 1 15 LEU H 3.440 . 3.470 2.778 2.735 2.819 . 0 0 "[ . 1 .]" 1
519 1 14 TRP HE3 1 15 LEU H 4.490 . 4.530 3.750 3.633 3.972 . 0 0 "[ . 1 .]" 1
520 1 14 TRP HB3 1 15 LEU H 3.700 . 3.740 2.512 2.445 2.589 . 0 0 "[ . 1 .]" 1
521 1 14 TRP HB2 1 15 LEU H 4.280 . 4.320 3.890 3.836 3.950 . 0 0 "[ . 1 .]" 1
522 1 13 ALA MB 1 15 LEU H 5.310 . 5.360 4.593 4.528 4.627 . 0 0 "[ . 1 .]" 1
523 1 15 LEU H 1 17 ALA MB 5.500 . 5.550 4.723 4.612 4.829 . 0 0 "[ . 1 .]" 1
524 1 15 LEU H 1 15 LEU HB3 3.650 . 3.690 3.596 3.589 3.602 . 0 0 "[ . 1 .]" 1
525 1 11 ILE MG 1 15 LEU H 4.270 . 4.310 3.798 3.694 3.929 . 0 0 "[ . 1 .]" 1
526 1 15 LEU H 1 15 LEU HG 3.940 . 3.980 2.235 2.153 2.292 . 0 0 "[ . 1 .]" 1
527 1 15 LEU H 1 15 LEU MD2 4.170 . 4.210 2.975 2.831 3.028 . 0 0 "[ . 1 .]" 1
528 1 15 LEU H 1 15 LEU HB2 3.450 . 3.480 2.543 2.508 2.588 . 0 0 "[ . 1 .]" 1
529 1 16 ARG H 1 17 ALA H 3.490 . 3.520 2.585 2.551 2.618 . 0 0 "[ . 1 .]" 1
530 1 13 ALA HA 1 16 ARG H 4.200 . 4.240 3.716 3.557 3.847 . 0 0 "[ . 1 .]" 1
531 1 16 ARG H 1 16 ARG HD2 5.170 . 5.220 4.294 3.890 4.822 . 0 0 "[ . 1 .]" 1
532 1 16 ARG H 1 16 ARG HD3 5.170 . 5.220 4.461 3.999 4.821 . 0 0 "[ . 1 .]" 1
533 1 15 LEU HB3 1 16 ARG H 4.250 . 4.290 3.548 3.485 3.596 . 0 0 "[ . 1 .]" 1
534 1 14 TRP HA 1 17 ALA H 4.350 . 4.390 3.655 3.542 3.789 . 0 0 "[ . 1 .]" 1
535 1 16 ARG HB2 1 17 ALA H 4.720 . 4.770 3.928 3.766 4.084 . 0 0 "[ . 1 .]" 1
536 1 16 ARG HB3 1 17 ALA H 4.720 . 4.770 4.003 3.912 4.121 . 0 0 "[ . 1 .]" 1
537 1 17 ALA H 1 17 ALA MB 3.090 . 3.120 2.254 2.244 2.262 . 0 0 "[ . 1 .]" 1
538 1 17 ALA H 1 18 GLY H 3.480 . 3.510 2.572 2.540 2.615 . 0 0 "[ . 1 .]" 1
539 1 17 ALA MB 1 18 GLY H 3.570 . 3.610 2.688 2.530 2.798 . 0 0 "[ . 1 .]" 1
540 1 18 GLY H 1 86 LEU QD 4.180 . 4.220 2.930 2.746 3.177 . 0 0 "[ . 1 .]" 1
541 1 19 TYR H 1 19 TYR HB2 3.950 . 3.990 2.760 2.690 2.815 . 0 0 "[ . 1 .]" 1
542 1 16 ARG HA 1 19 TYR H 4.290 . 4.330 3.154 2.912 3.321 . 0 0 "[ . 1 .]" 1
543 1 21 GLU H 1 21 GLU HB2 3.940 . 3.980 3.164 2.501 3.693 . 0 0 "[ . 1 .]" 1
544 1 21 GLU H 1 21 GLU HG2 4.150 . 4.190 2.407 1.792 3.853 0.008 2 0 "[ . 1 .]" 1
545 1 21 GLU H 1 21 GLU HG3 4.150 . 4.190 3.192 2.424 3.781 . 0 0 "[ . 1 .]" 1
546 1 20 PRO HG2 1 21 GLU H 3.400 . 3.430 2.932 2.586 3.415 . 0 0 "[ . 1 .]" 1
547 1 21 GLU H 1 21 GLU HB3 3.940 . 3.980 3.210 2.671 3.670 . 0 0 "[ . 1 .]" 1
548 1 21 GLU H 1 22 GLY H 3.330 . 3.360 2.326 2.088 2.477 . 0 0 "[ . 1 .]" 1
549 1 19 TYR HB3 1 22 GLY H 4.460 . 4.500 2.954 2.693 3.196 . 0 0 "[ . 1 .]" 1
550 1 21 GLU HB2 1 22 GLY H 4.790 . 4.840 3.899 3.235 4.396 . 0 0 "[ . 1 .]" 1
551 1 21 GLU HB3 1 22 GLY H 4.790 . 4.840 4.346 4.251 4.431 . 0 0 "[ . 1 .]" 1
552 1 26 THR H 1 27 ASP H 4.640 . 4.690 2.553 2.032 2.825 . 0 0 "[ . 1 .]" 1
553 1 25 PRO HA 1 27 ASP H 4.760 . 4.810 4.573 3.826 4.822 0.012 2 0 "[ . 1 .]" 1
554 1 26 THR HB 1 27 ASP H 5.120 . 5.170 3.137 2.113 4.367 . 0 0 "[ . 1 .]" 1
555 1 24 PRO HD2 1 27 ASP H 5.210 . 5.260 4.161 3.880 4.550 . 0 0 "[ . 1 .]" 1
556 1 27 ASP H 1 27 ASP HB2 4.170 . 4.210 2.787 2.382 3.822 . 0 0 "[ . 1 .]" 1
557 1 27 ASP H 1 27 ASP HB3 4.170 . 4.210 3.428 2.773 3.631 . 0 0 "[ . 1 .]" 1
558 1 24 PRO HG2 1 27 ASP H 4.400 . 4.440 3.576 2.583 4.360 . 0 0 "[ . 1 .]" 1
559 1 23 ILE MG 1 27 ASP H 4.670 . 4.720 4.040 3.653 4.723 0.003 13 0 "[ . 1 .]" 1
560 1 27 ASP H 1 28 SER H 3.190 . 3.220 2.428 1.861 2.681 . 0 0 "[ . 1 .]" 1
561 1 25 PRO HA 1 28 SER H 4.300 . 4.340 3.651 3.416 4.041 . 0 0 "[ . 1 .]" 1
562 1 23 ILE MG 1 28 SER H 4.230 . 4.270 3.164 2.728 3.732 . 0 0 "[ . 1 .]" 1
563 1 28 SER H 1 29 PHE H 4.150 . 4.190 2.684 2.598 2.786 . 0 0 "[ . 1 .]" 1
564 1 28 SER HB2 1 29 PHE H 4.450 . 4.490 3.263 2.462 3.999 . 0 0 "[ . 1 .]" 1
565 1 29 PHE H 1 29 PHE HB2 3.920 . 3.960 2.432 2.361 2.564 . 0 0 "[ . 1 .]" 1
566 1 29 PHE H 1 29 PHE HB3 3.920 . 3.960 3.595 3.570 3.628 . 0 0 "[ . 1 .]" 1
567 1 29 PHE HB2 1 30 ALA H 4.640 . 4.690 2.771 2.539 2.918 . 0 0 "[ . 1 .]" 1
568 1 31 VAL H 1 32 LEU H 3.730 . 3.770 2.785 2.685 2.915 . 0 0 "[ . 1 .]" 1
569 1 31 VAL H 1 31 VAL HB 3.330 . 3.360 2.555 2.501 2.603 . 0 0 "[ . 1 .]" 1
570 1 30 ALA MB 1 31 VAL H 3.740 . 3.780 2.426 2.326 2.538 . 0 0 "[ . 1 .]" 1
571 1 31 VAL H 1 31 VAL QG 3.330 . 3.360 2.085 2.010 2.174 . 0 0 "[ . 1 .]" 1
572 1 31 VAL HB 1 32 LEU H 3.350 . 3.380 2.475 2.320 2.602 . 0 0 "[ . 1 .]" 1
573 1 32 LEU H 1 32 LEU HB2 4.020 . 4.060 3.133 2.687 3.601 . 0 0 "[ . 1 .]" 1
574 1 32 LEU H 1 32 LEU HB3 4.020 . 4.060 2.311 2.189 2.440 . 0 0 "[ . 1 .]" 1
575 1 31 VAL QG 1 32 LEU H . . 4.020 3.090 2.981 3.222 . 0 0 "[ . 1 .]" 1
576 1 32 LEU H 1 32 LEU HG 4.260 . 4.300 3.495 2.439 4.303 0.003 11 0 "[ . 1 .]" 1
577 1 32 LEU H 1 32 LEU MD2 4.460 . 4.500 3.697 3.117 4.163 . 0 0 "[ . 1 .]" 1
578 1 29 PHE HA 1 32 LEU H 4.800 . 4.850 3.335 3.070 3.698 . 0 0 "[ . 1 .]" 1
579 1 32 LEU H 1 33 ALA H 3.820 . 3.860 2.776 2.629 2.900 . 0 0 "[ . 1 .]" 1
580 1 32 LEU HB2 1 33 ALA H 4.220 . 4.260 3.958 3.901 4.033 . 0 0 "[ . 1 .]" 1
581 1 32 LEU HB3 1 33 ALA H 4.220 . 4.260 3.179 2.518 3.979 . 0 0 "[ . 1 .]" 1
582 1 33 ALA H 1 74 PRO QG 4.480 . 4.520 3.464 3.099 3.799 . 0 0 "[ . 1 .]" 1
583 1 33 ALA H 1 33 ALA MB 3.210 . 3.240 2.236 2.230 2.247 . 0 0 "[ . 1 .]" 1
584 1 33 ALA H 1 34 LEU H 3.650 . 3.690 2.721 2.607 2.825 . 0 0 "[ . 1 .]" 1
585 1 30 ALA HA 1 34 LEU H 5.240 . 5.290 4.112 3.934 4.224 . 0 0 "[ . 1 .]" 1
586 1 31 VAL HA 1 34 LEU H 4.400 . 4.440 3.512 3.334 3.702 . 0 0 "[ . 1 .]" 1
587 1 34 LEU H 1 34 LEU HB2 3.350 . 3.380 2.306 2.101 2.505 . 0 0 "[ . 1 .]" 1
588 1 33 ALA MB 1 34 LEU H 3.440 . 3.470 2.492 2.343 2.643 . 0 0 "[ . 1 .]" 1
589 1 35 LEU H 1 36 CYS H 4.220 . 4.260 2.627 2.577 2.693 . 0 0 "[ . 1 .]" 1
590 1 31 VAL QG 1 35 LEU H 3.910 . 3.950 3.704 3.582 3.868 . 0 0 "[ . 1 .]" 1
591 1 35 LEU H 1 35 LEU MD1 4.700 . 4.750 3.640 2.400 4.016 . 0 0 "[ . 1 .]" 1
592 1 35 LEU H 1 35 LEU MD2 4.700 . 4.750 3.367 2.391 4.260 . 0 0 "[ . 1 .]" 1
593 1 34 LEU HB3 1 35 LEU H 4.170 . 4.210 2.810 2.275 3.325 . 0 0 "[ . 1 .]" 1
594 1 34 LEU HB2 1 35 LEU H 4.380 . 4.420 3.226 2.725 3.734 . 0 0 "[ . 1 .]" 1
595 1 33 ALA HA 1 36 CYS H 4.660 . 4.710 3.791 3.516 4.139 . 0 0 "[ . 1 .]" 1
596 1 36 CYS H 1 36 CYS HB2 3.950 . 3.990 2.462 2.346 2.544 . 0 0 "[ . 1 .]" 1
597 1 36 CYS H 1 36 CYS HB3 4.200 . 4.240 2.783 2.502 3.594 . 0 0 "[ . 1 .]" 1
598 1 35 LEU HB2 1 36 CYS H 4.640 . 4.690 3.085 2.753 3.984 . 0 0 "[ . 1 .]" 1
599 1 35 LEU HB3 1 36 CYS H 4.640 . 4.690 3.536 2.789 3.831 . 0 0 "[ . 1 .]" 1
600 1 31 VAL QG 1 36 CYS H 5.500 . 5.550 5.343 5.002 5.415 . 0 0 "[ . 1 .]" 1
601 1 36 CYS H 1 44 VAL MG2 5.500 . 5.550 4.844 4.294 5.256 . 0 0 "[ . 1 .]" 1
602 1 36 CYS H 1 37 ARG H 4.160 . 4.200 2.670 2.578 2.739 . 0 0 "[ . 1 .]" 1
603 1 37 ARG H 1 38 ARG H 3.540 . 3.580 2.373 2.254 2.523 . 0 0 "[ . 1 .]" 1
604 1 34 LEU HA 1 37 ARG H 4.710 . 4.760 3.919 3.712 4.143 . 0 0 "[ . 1 .]" 1
605 1 36 CYS HB3 1 37 ARG H 3.930 . 3.970 3.315 3.029 3.952 . 0 0 "[ . 1 .]" 1
606 1 37 ARG H 1 37 ARG HG3 4.010 . 4.050 2.386 2.134 2.972 . 0 0 "[ . 1 .]" 1
607 1 38 ARG H 1 39 LEU H 3.450 . 3.480 2.042 1.835 2.276 . 0 0 "[ . 1 .]" 1
608 1 39 LEU H 1 39 LEU MD2 5.030 . 5.080 3.883 3.700 4.053 . 0 0 "[ . 1 .]" 1
609 1 39 LEU HA 1 40 SER H 3.570 . 3.610 2.418 2.175 2.604 . 0 0 "[ . 1 .]" 1
610 1 40 SER H 1 43 GLU HB2 4.570 . 4.620 2.814 2.459 3.215 . 0 0 "[ . 1 .]" 1
611 1 39 LEU MD1 1 40 SER H 5.220 . 5.270 4.509 4.132 4.979 . 0 0 "[ . 1 .]" 1
612 1 39 LEU MD2 1 40 SER H 5.220 . 5.270 3.414 3.201 3.623 . 0 0 "[ . 1 .]" 1
613 1 41 HIS H 1 42 ASP H 4.560 . 4.610 2.771 2.506 2.928 . 0 0 "[ . 1 .]" 1
614 1 41 HIS HB2 1 42 ASP H 4.550 . 4.600 3.845 2.958 4.180 . 0 0 "[ . 1 .]" 1
615 1 41 HIS HB3 1 42 ASP H 4.550 . 4.600 4.183 3.937 4.288 . 0 0 "[ . 1 .]" 1
616 1 42 ASP H 1 42 ASP HB3 4.080 . 4.120 3.153 2.475 3.614 . 0 0 "[ . 1 .]" 1
617 1 42 ASP H 1 43 GLU H 3.990 . 4.030 2.538 2.420 2.718 . 0 0 "[ . 1 .]" 1
618 1 43 GLU H 1 44 VAL H 3.790 . 3.830 2.756 2.620 2.859 . 0 0 "[ . 1 .]" 1
619 1 40 SER H 1 43 GLU H 4.950 . 5.000 3.772 3.456 4.125 . 0 0 "[ . 1 .]" 1
620 1 43 GLU H 1 43 GLU HB2 3.980 . 4.020 2.454 2.137 2.585 . 0 0 "[ . 1 .]" 1
621 1 43 GLU H 1 43 GLU HB3 3.980 . 4.020 3.495 2.610 3.620 . 0 0 "[ . 1 .]" 1
622 1 43 GLU H 1 44 VAL MG2 4.920 . 4.970 3.968 3.750 4.078 . 0 0 "[ . 1 .]" 1
623 1 44 VAL H 1 44 VAL HB 3.710 . 3.750 3.660 3.638 3.673 . 0 0 "[ . 1 .]" 1
624 1 44 VAL H 1 44 VAL MG2 4.180 . 4.220 2.110 2.050 2.142 . 0 0 "[ . 1 .]" 1
625 1 44 VAL H 1 45 LYS H 3.870 . 3.910 2.616 2.560 2.689 . 0 0 "[ . 1 .]" 1
626 1 45 LYS H 1 46 ALA H 3.930 . 3.970 2.690 2.576 2.774 . 0 0 "[ . 1 .]" 1
627 1 42 ASP HA 1 45 LYS H 4.760 . 4.810 3.390 3.118 3.777 . 0 0 "[ . 1 .]" 1
628 1 43 GLU HA 1 45 LYS H 4.820 . 4.870 4.418 4.341 4.577 . 0 0 "[ . 1 .]" 1
629 1 44 VAL HB 1 45 LYS H 3.910 . 3.950 3.868 3.799 3.942 . 0 0 "[ . 1 .]" 1
630 1 45 LYS H 1 45 LYS HB3 3.500 . 3.540 2.453 2.248 2.652 . 0 0 "[ . 1 .]" 1
631 1 45 LYS H 1 46 ALA MB 4.550 . 4.600 4.362 4.254 4.418 . 0 0 "[ . 1 .]" 1
632 1 44 VAL MG1 1 45 LYS H 4.170 . 4.210 3.944 3.912 4.005 . 0 0 "[ . 1 .]" 1
633 1 46 ALA H 1 47 VAL H 3.800 . 3.840 2.742 2.678 2.793 . 0 0 "[ . 1 .]" 1
634 1 46 ALA H 1 49 ASN H 5.100 . 5.150 4.717 4.547 4.886 . 0 0 "[ . 1 .]" 1
635 1 45 LYS HB3 1 46 ALA H 3.750 . 3.790 2.596 2.438 2.724 . 0 0 "[ . 1 .]" 1
636 1 46 ALA H 1 46 ALA MB 3.120 . 3.150 2.237 2.227 2.247 . 0 0 "[ . 1 .]" 1
637 1 47 VAL H 1 48 ALA H 3.690 . 3.730 2.715 2.615 2.914 . 0 0 "[ . 1 .]" 1
638 1 47 VAL MG2 1 48 ALA H 4.420 . 4.460 3.773 3.617 4.014 . 0 0 "[ . 1 .]" 1
639 1 45 LYS HA 1 49 ASN H 4.740 . 4.790 4.014 3.778 4.226 . 0 0 "[ . 1 .]" 1
640 1 49 ASN H 1 49 ASN HB2 3.790 . 3.830 2.541 2.221 2.874 . 0 0 "[ . 1 .]" 1
641 1 48 ALA MB 1 49 ASN H 3.750 . 3.790 2.494 2.351 2.676 . 0 0 "[ . 1 .]" 1
642 1 49 ASN H 1 50 GLU H 3.960 . 4.000 2.753 2.666 2.830 . 0 0 "[ . 1 .]" 1
643 1 50 GLU H 1 51 LEU H 4.140 . 4.180 2.642 2.473 2.858 . 0 0 "[ . 1 .]" 1
644 1 50 GLU H 1 50 GLU HB2 3.800 . 3.840 3.141 2.517 3.643 . 0 0 "[ . 1 .]" 1
645 1 50 GLU H 1 50 GLU HB3 3.800 . 3.840 2.542 2.351 2.698 . 0 0 "[ . 1 .]" 1
646 1 49 ASN HB2 1 50 GLU H 4.650 . 4.700 3.765 2.787 4.024 . 0 0 "[ . 1 .]" 1
647 1 50 GLU H 1 51 LEU HB2 4.870 . 4.920 4.834 4.594 4.926 0.006 14 0 "[ . 1 .]" 1
648 1 51 LEU H 1 52 MET H 4.110 . 4.150 2.658 2.569 2.788 . 0 0 "[ . 1 .]" 1
649 1 51 LEU H 1 51 LEU HB2 3.540 . 3.580 2.377 2.136 2.574 . 0 0 "[ . 1 .]" 1
650 1 52 MET H 1 53 ARG H 4.340 . 4.380 2.598 2.426 2.728 . 0 0 "[ . 1 .]" 1
651 1 52 MET H 1 52 MET HG3 3.870 . 3.910 2.570 2.338 2.781 . 0 0 "[ . 1 .]" 1
652 1 52 MET H 1 52 MET HB2 4.010 . 4.050 2.368 2.316 2.454 . 0 0 "[ . 1 .]" 1
653 1 52 MET H 1 52 MET HB3 4.010 . 4.050 3.588 3.572 3.601 . 0 0 "[ . 1 .]" 1
654 1 51 LEU HB2 1 52 MET H 4.290 . 4.330 3.784 3.587 3.917 . 0 0 "[ . 1 .]" 1
655 1 52 MET HB2 1 53 ARG H 4.760 . 4.810 2.774 2.555 2.989 . 0 0 "[ . 1 .]" 1
656 1 53 ARG H 1 53 ARG HB2 3.960 . 4.000 2.466 2.292 2.670 . 0 0 "[ . 1 .]" 1
657 1 53 ARG H 1 54 LEU H 4.520 . 4.570 2.659 2.584 2.776 . 0 0 "[ . 1 .]" 1
658 1 54 LEU H 1 55 GLY H 4.220 . 4.260 2.478 2.336 2.607 . 0 0 "[ . 1 .]" 1
659 1 53 ARG HB2 1 54 LEU H 4.550 . 4.600 3.580 2.484 4.012 . 0 0 "[ . 1 .]" 1
660 1 54 LEU H 1 54 LEU MD1 5.410 . 5.460 3.761 2.405 4.146 . 0 0 "[ . 1 .]" 1
661 1 54 LEU H 1 54 LEU MD2 5.410 . 5.460 3.426 2.229 4.361 . 0 0 "[ . 1 .]" 1
662 1 54 LEU HB2 1 55 GLY H 4.590 . 4.640 3.367 2.847 4.341 . 0 0 "[ . 1 .]" 1
663 1 54 LEU HB3 1 55 GLY H 4.590 . 4.640 3.570 2.772 4.218 . 0 0 "[ . 1 .]" 1
664 1 54 LEU MD1 1 55 GLY H 5.500 . 5.550 4.750 4.199 5.144 . 0 0 "[ . 1 .]" 1
665 1 54 LEU MD2 1 55 GLY H 5.500 . 5.550 4.478 3.781 5.317 . 0 0 "[ . 1 .]" 1
666 1 47 VAL H 1 47 VAL MG1 4.160 . 4.200 2.455 2.072 3.738 . 0 0 "[ . 1 .]" 1
667 1 47 VAL H 1 47 VAL MG2 4.160 . 4.200 3.505 2.337 3.794 . 0 0 "[ . 1 .]" 1
668 1 59 GLN HA 1 60 ILE H 3.270 . 3.300 2.244 2.145 2.349 . 0 0 "[ . 1 .]" 1
669 1 60 ILE H 1 60 ILE HG13 4.280 . 4.320 3.000 2.694 4.121 . 0 0 "[ . 1 .]" 1
670 1 60 ILE H 1 60 ILE MD 4.710 . 4.760 3.548 1.800 4.010 0.000 3 0 "[ . 1 .]" 1
671 1 60 ILE HB 1 61 ASP H 4.210 . 4.250 2.227 1.792 3.076 0.008 1 0 "[ . 1 .]" 1
672 1 60 ILE MD 1 61 ASP H 5.500 . 5.550 4.199 3.670 4.932 . 0 0 "[ . 1 .]" 1
673 1 62 ILE H 1 63 GLY H 4.070 . 4.110 2.345 2.118 2.648 . 0 0 "[ . 1 .]" 1
674 1 61 ASP HA 1 62 ILE H 3.170 . 3.200 2.190 2.111 2.298 . 0 0 "[ . 1 .]" 1
675 1 62 ILE H 1 62 ILE HB 3.580 . 3.620 2.415 2.234 2.501 . 0 0 "[ . 1 .]" 1
676 1 62 ILE H 1 62 ILE HG12 4.080 . 4.120 2.775 2.314 3.585 . 0 0 "[ . 1 .]" 1
677 1 62 ILE H 1 62 ILE HG13 4.080 . 4.120 3.588 2.170 4.024 . 0 0 "[ . 1 .]" 1
678 1 60 ILE MD 1 62 ILE H 5.190 . 5.240 4.965 4.480 5.245 0.005 15 0 "[ . 1 .]" 1
679 1 62 ILE H 1 62 ILE MG 4.090 . 4.130 3.746 3.619 3.795 . 0 0 "[ . 1 .]" 1
680 1 62 ILE HB 1 63 GLY H 3.760 . 3.800 2.769 2.589 2.887 . 0 0 "[ . 1 .]" 1
681 1 62 ILE MG 1 63 GLY H 4.730 . 4.780 3.389 3.072 3.623 . 0 0 "[ . 1 .]" 1
682 1 63 GLY H 1 64 VAL H 3.730 . 3.770 2.785 2.657 2.917 . 0 0 "[ . 1 .]" 1
683 1 64 VAL H 1 65 VAL H 3.460 . 3.490 2.592 2.403 2.758 . 0 0 "[ . 1 .]" 1
684 1 64 VAL H 1 64 VAL HB 3.240 . 3.270 2.501 2.390 2.617 . 0 0 "[ . 1 .]" 1
685 1 64 VAL H 1 64 VAL MG1 4.100 . 4.140 3.553 2.052 3.791 . 0 0 "[ . 1 .]" 1
686 1 64 VAL H 1 64 VAL MG2 4.100 . 4.140 2.397 2.044 3.787 . 0 0 "[ . 1 .]" 1
687 1 65 VAL H 1 66 ILE H 4.220 . 4.260 2.621 2.434 2.856 . 0 0 "[ . 1 .]" 1
688 1 65 VAL H 1 65 VAL HB 3.880 . 3.920 2.542 2.428 2.683 . 0 0 "[ . 1 .]" 1
689 1 64 VAL HB 1 65 VAL H 4.160 . 4.200 2.849 2.380 4.055 . 0 0 "[ . 1 .]" 1
690 1 65 VAL H 1 65 VAL MG1 4.100 . 4.140 3.776 3.752 3.796 . 0 0 "[ . 1 .]" 1
691 1 66 ILE H 1 66 ILE HB 4.200 . 4.240 3.650 3.629 3.699 . 0 0 "[ . 1 .]" 1
692 1 65 VAL HB 1 66 ILE H 4.260 . 4.300 2.694 2.464 2.911 . 0 0 "[ . 1 .]" 1
693 1 65 VAL MG1 1 66 ILE H 4.810 . 4.860 3.497 3.140 3.747 . 0 0 "[ . 1 .]" 1
694 1 66 ILE H 1 66 ILE MG 3.610 . 3.650 2.290 2.163 2.408 . 0 0 "[ . 1 .]" 1
695 1 62 ILE HA 1 66 ILE H 5.440 . 5.490 4.049 3.663 4.325 . 0 0 "[ . 1 .]" 1
696 1 65 VAL MG2 1 66 ILE H 4.810 . 4.860 3.849 3.674 3.961 . 0 0 "[ . 1 .]" 1
697 1 66 ILE H 1 66 ILE MD 4.620 . 4.670 3.625 3.438 3.844 . 0 0 "[ . 1 .]" 1
698 1 66 ILE H 1 67 THR H 4.020 . 4.060 2.537 2.427 2.595 . 0 0 "[ . 1 .]" 1
699 1 67 THR H 1 67 THR MG 3.590 . 3.630 2.692 2.435 2.842 . 0 0 "[ . 1 .]" 1
700 1 68 HIS H 1 69 PHE H 3.570 . 3.610 3.485 3.137 3.615 0.005 14 0 "[ . 1 .]" 1
701 1 67 THR H 1 68 HIS H 3.400 . 3.430 2.155 2.010 2.581 . 0 0 "[ . 1 .]" 1
702 1 68 HIS H 1 68 HIS HB2 4.190 . 4.230 3.200 2.761 3.448 . 0 0 "[ . 1 .]" 1
703 1 68 HIS H 1 68 HIS HB3 4.190 . 4.230 3.009 2.732 3.859 . 0 0 "[ . 1 .]" 1
704 1 67 THR MG 1 68 HIS H 4.860 . 4.910 4.155 4.013 4.389 . 0 0 "[ . 1 .]" 1
705 1 69 PHE H 1 69 PHE QD 4.080 . 4.120 2.272 1.937 2.543 . 0 0 "[ . 1 .]" 1
706 1 69 PHE H 1 69 PHE HB2 3.990 . 4.030 2.385 2.297 2.510 . 0 0 "[ . 1 .]" 1
707 1 69 PHE H 1 69 PHE HB3 3.990 . 4.030 3.578 3.559 3.596 . 0 0 "[ . 1 .]" 1
708 1 66 ILE HA 1 69 PHE H 5.500 . 5.550 5.490 5.143 5.559 0.009 7 0 "[ . 1 .]" 1
709 1 69 PHE QD 1 70 THR H 4.420 . 4.460 3.704 3.112 4.033 . 0 0 "[ . 1 .]" 1
710 1 69 PHE HA 1 70 THR H 3.310 . 3.340 2.242 2.118 2.540 . 0 0 "[ . 1 .]" 1
711 1 69 PHE HB2 1 70 THR H 4.680 . 4.730 3.989 3.354 4.300 . 0 0 "[ . 1 .]" 1
712 1 69 PHE HB3 1 70 THR H 4.680 . 4.730 2.842 2.088 3.340 . 0 0 "[ . 1 .]" 1
713 1 70 THR H 1 70 THR MG 3.940 . 3.980 3.420 2.441 3.930 . 0 0 "[ . 1 .]" 1
714 1 71 ASP H 1 72 GLU H 4.230 . 4.270 2.511 2.329 2.966 . 0 0 "[ . 1 .]" 1
715 1 70 THR MG 1 72 GLU H 4.590 . 4.640 2.835 1.798 4.646 0.006 15 0 "[ . 1 .]" 1
716 1 74 PRO HA 1 75 SER H 3.350 . 3.380 2.348 2.152 2.611 . 0 0 "[ . 1 .]" 1
717 1 75 SER H 1 75 SER HB3 4.020 . 4.060 3.419 2.620 3.797 . 0 0 "[ . 1 .]" 1
718 1 75 SER H 1 78 ASP HB2 4.920 . 4.970 3.254 2.762 3.636 . 0 0 "[ . 1 .]" 1
719 1 74 PRO HB3 1 75 SER H 4.360 . 4.400 3.637 3.384 4.057 . 0 0 "[ . 1 .]" 1
720 1 74 PRO HB2 1 75 SER H 4.120 . 4.160 2.791 2.167 3.546 . 0 0 "[ . 1 .]" 1
721 1 70 THR H 1 73 LEU H 4.840 . 4.890 4.451 3.856 4.892 0.002 4 0 "[ . 1 .]" 1
722 1 72 GLU H 1 73 LEU H 3.170 . 3.200 2.345 1.889 2.596 . 0 0 "[ . 1 .]" 1
723 1 73 LEU H 1 73 LEU HB2 3.860 . 3.900 2.624 2.408 3.660 . 0 0 "[ . 1 .]" 1
724 1 73 LEU H 1 73 LEU HB3 3.860 . 3.900 3.602 2.889 3.831 . 0 0 "[ . 1 .]" 1
725 1 76 PRO HB2 1 77 GLU H 4.390 . 4.430 2.746 2.225 3.308 . 0 0 "[ . 1 .]" 1
726 1 77 GLU H 1 77 GLU HB2 3.770 . 3.810 2.697 2.060 3.614 . 0 0 "[ . 1 .]" 1
727 1 77 GLU H 1 77 GLU HB3 3.770 . 3.810 3.172 2.541 3.639 . 0 0 "[ . 1 .]" 1
728 1 77 GLU H 1 78 ASP H 3.910 . 3.950 2.640 2.507 2.764 . 0 0 "[ . 1 .]" 1
729 1 78 ASP H 1 78 ASP HB2 3.970 . 4.010 2.454 2.199 2.705 . 0 0 "[ . 1 .]" 1
730 1 78 ASP H 1 78 ASP HB3 3.970 . 4.010 3.183 2.235 3.631 . 0 0 "[ . 1 .]" 1
731 1 77 GLU HB2 1 78 ASP H 4.070 . 4.110 3.144 2.370 3.931 . 0 0 "[ . 1 .]" 1
732 1 77 GLU HB3 1 78 ASP H 4.070 . 4.110 3.478 2.382 3.996 . 0 0 "[ . 1 .]" 1
733 1 80 GLU H 1 81 ARG H 3.750 . 3.790 2.646 2.520 2.772 . 0 0 "[ . 1 .]" 1
734 1 77 GLU HA 1 80 GLU H 4.220 . 4.260 3.530 3.156 3.966 . 0 0 "[ . 1 .]" 1
735 1 80 GLU H 1 80 GLU HG2 4.700 . 4.750 4.102 2.345 4.578 . 0 0 "[ . 1 .]" 1
736 1 79 VAL HB 1 80 GLU H 3.530 . 3.570 2.760 2.456 3.587 0.017 14 0 "[ . 1 .]" 1
737 1 80 GLU H 1 80 GLU HB2 3.650 . 3.690 2.453 2.171 2.553 . 0 0 "[ . 1 .]" 1
738 1 80 GLU H 1 80 GLU HB3 3.650 . 3.690 2.821 2.423 3.607 . 0 0 "[ . 1 .]" 1
739 1 78 ASP HA 1 81 ARG H 4.620 . 4.670 3.363 2.893 3.640 . 0 0 "[ . 1 .]" 1
740 1 81 ARG H 1 81 ARG HB2 3.780 . 3.820 2.466 2.118 2.809 . 0 0 "[ . 1 .]" 1
741 1 81 ARG H 1 81 ARG HB3 3.780 . 3.820 2.779 2.210 3.593 . 0 0 "[ . 1 .]" 1
742 1 81 ARG H 1 81 ARG HG2 4.710 . 4.760 4.257 2.982 4.597 . 0 0 "[ . 1 .]" 1
743 1 81 ARG H 1 81 ARG HG3 4.710 . 4.760 4.062 2.396 4.521 . 0 0 "[ . 1 .]" 1
744 1 79 VAL HA 1 82 VAL H 4.490 . 4.530 3.595 3.327 3.862 . 0 0 "[ . 1 .]" 1
745 1 82 VAL H 1 82 VAL HB 3.320 . 3.350 2.402 2.306 2.491 . 0 0 "[ . 1 .]" 1
746 1 83 ARG H 1 84 ALA H 3.870 . 3.910 2.776 2.638 2.889 . 0 0 "[ . 1 .]" 1
747 1 82 VAL H 1 83 ARG H 3.870 . 3.910 2.613 2.533 2.666 . 0 0 "[ . 1 .]" 1
748 1 80 GLU HA 1 83 ARG H 4.750 . 4.800 3.482 3.238 3.715 . 0 0 "[ . 1 .]" 1
749 1 83 ARG H 1 83 ARG HB2 3.780 . 3.820 2.515 2.329 2.678 . 0 0 "[ . 1 .]" 1
750 1 83 ARG H 1 83 ARG HB3 3.780 . 3.820 2.508 2.366 2.697 . 0 0 "[ . 1 .]" 1
751 1 84 ALA H 1 85 ARG H 3.700 . 3.740 2.663 2.478 2.763 . 0 0 "[ . 1 .]" 1
752 1 83 ARG HB2 1 84 ALA H 3.970 . 4.010 3.780 3.706 3.885 . 0 0 "[ . 1 .]" 1
753 1 83 ARG HB3 1 84 ALA H 3.970 . 4.010 2.423 2.318 2.570 . 0 0 "[ . 1 .]" 1
754 1 84 ALA H 1 84 ALA MB 3.180 . 3.210 2.238 2.227 2.257 . 0 0 "[ . 1 .]" 1
755 1 85 ARG H 1 86 LEU H 3.360 . 3.390 2.744 2.566 2.884 . 0 0 "[ . 1 .]" 1
756 1 82 VAL HA 1 85 ARG H 4.370 . 4.410 3.324 3.099 3.448 . 0 0 "[ . 1 .]" 1
757 1 85 ARG H 1 85 ARG HB2 3.600 . 3.640 2.426 2.076 2.722 . 0 0 "[ . 1 .]" 1
758 1 85 ARG H 1 85 ARG HB3 3.600 . 3.640 2.947 2.393 3.591 . 0 0 "[ . 1 .]" 1
759 1 84 ALA MB 1 85 ARG H 3.360 . 3.390 2.518 2.438 2.691 . 0 0 "[ . 1 .]" 1
760 1 86 LEU H 1 87 ALA H 4.000 . 4.040 2.519 2.371 2.646 . 0 0 "[ . 1 .]" 1
761 1 84 ALA MB 1 86 LEU H 5.500 . 5.550 4.639 4.524 4.771 . 0 0 "[ . 1 .]" 1
762 1 86 LEU H 1 86 LEU HG 4.320 . 4.360 4.006 3.923 4.135 . 0 0 "[ . 1 .]" 1
763 1 83 ARG HA 1 87 ALA H 4.600 . 4.650 4.041 3.731 4.313 . 0 0 "[ . 1 .]" 1
764 1 87 ALA H 1 88 ALA H 3.850 . 3.890 2.647 2.505 2.702 . 0 0 "[ . 1 .]" 1
765 1 88 ALA H 1 89 GLN H 3.300 . 3.330 2.610 2.505 2.732 . 0 0 "[ . 1 .]" 1
766 1 88 ALA H 1 88 ALA MB 2.940 . 2.970 2.236 2.226 2.253 . 0 0 "[ . 1 .]" 1
767 1 14 TRP HE1 1 89 GLN H 4.670 . 4.720 3.991 3.477 4.498 . 0 0 "[ . 1 .]" 1
768 1 87 ALA HA 1 89 GLN H 4.770 . 4.820 3.811 3.594 4.048 . 0 0 "[ . 1 .]" 1
769 1 86 LEU HA 1 89 GLN H 4.660 . 4.710 3.669 3.447 3.824 . 0 0 "[ . 1 .]" 1
770 1 89 GLN H 1 89 GLN HB2 3.990 . 4.030 2.397 2.300 2.601 . 0 0 "[ . 1 .]" 1
771 1 89 GLN H 1 89 GLN HB3 3.990 . 4.030 3.617 3.547 3.746 . 0 0 "[ . 1 .]" 1
772 1 88 ALA MB 1 89 GLN H 3.530 . 3.570 2.883 2.660 3.082 . 0 0 "[ . 1 .]" 1
773 1 87 ALA HA 1 90 GLY H 4.450 . 4.490 3.358 3.029 4.312 . 0 0 "[ . 1 .]" 1
774 1 88 ALA MB 1 90 GLY H 4.770 . 4.820 4.361 4.198 4.630 . 0 0 "[ . 1 .]" 1
775 1 94 ASP H 1 95 ASP H 4.280 . 4.320 4.057 2.145 4.354 0.034 13 0 "[ . 1 .]" 1
776 1 94 ASP H 1 94 ASP HB2 4.200 . 4.240 3.296 2.661 3.880 . 0 0 "[ . 1 .]" 1
777 1 94 ASP H 1 94 ASP HB3 4.200 . 4.240 2.968 2.478 3.476 . 0 0 "[ . 1 .]" 1
778 1 93 LEU HB2 1 94 ASP H 4.850 . 4.900 3.538 2.040 4.489 . 0 0 "[ . 1 .]" 1
779 1 93 LEU HB3 1 94 ASP H 4.850 . 4.900 3.825 2.597 4.463 . 0 0 "[ . 1 .]" 1
780 1 96 VAL HA 1 97 ARG H 3.020 . 3.050 2.164 2.113 2.234 . 0 0 "[ . 1 .]" 1
781 1 97 ARG H 1 97 ARG HD2 5.500 . 5.550 4.286 3.249 5.283 . 0 0 "[ . 1 .]" 1
782 1 97 ARG H 1 97 ARG HD3 5.500 . 5.550 4.013 1.933 5.153 . 0 0 "[ . 1 .]" 1
783 1 96 VAL HB 1 97 ARG H 4.410 . 4.450 4.210 3.987 4.452 0.002 10 0 "[ . 1 .]" 1
784 1 97 ARG H 1 97 ARG HB3 4.060 . 4.100 3.388 2.625 3.796 . 0 0 "[ . 1 .]" 1
785 1 97 ARG H 1 98 ASP H 4.620 . 4.670 3.919 2.075 4.604 . 0 0 "[ . 1 .]" 1
786 1 97 ARG HA 1 98 ASP H 3.250 . 3.280 2.515 2.144 3.286 0.006 15 0 "[ . 1 .]" 1
787 1 97 ARG HB2 1 98 ASP H 4.590 . 4.640 3.612 1.829 4.499 . 0 0 "[ . 1 .]" 1
788 1 98 ASP H 1 99 ARG H 4.800 . 4.850 4.144 2.450 4.597 . 0 0 "[ . 1 .]" 1
789 1 98 ASP HA 1 99 ARG H 3.180 . 3.210 2.338 2.079 3.149 . 0 0 "[ . 1 .]" 1
790 1 98 ASP HB2 1 99 ARG H 4.990 . 5.040 3.975 2.410 4.631 . 0 0 "[ . 1 .]" 1
791 1 98 ASP HB3 1 99 ARG H 4.990 . 5.040 3.876 2.740 4.403 . 0 0 "[ . 1 .]" 1
792 1 99 ARG H 1 100 GLU H 3.990 . 4.030 2.753 1.800 4.054 0.024 1 0 "[ . 1 .]" 1
793 1 100 GLU H 1 100 GLU HB2 4.180 . 4.220 3.124 2.307 3.961 . 0 0 "[ . 1 .]" 1
794 1 100 GLU H 1 100 GLU HB3 4.180 . 4.220 3.274 2.630 3.668 . 0 0 "[ . 1 .]" 1
795 1 96 VAL H 1 96 VAL HB 3.110 . 3.140 2.766 2.523 3.143 0.003 11 0 "[ . 1 .]" 1
796 1 95 ASP HA 1 96 VAL H 2.950 . 2.980 2.359 2.113 2.786 . 0 0 "[ . 1 .]" 1
797 1 91 TRP HE1 1 93 LEU HB2 4.360 . 4.400 2.458 2.177 3.931 . 0 0 "[ . 1 .]" 1
798 1 91 TRP HE1 1 93 LEU HB3 4.360 . 4.400 3.221 2.267 3.575 . 0 0 "[ . 1 .]" 1
799 1 14 TRP HE1 1 90 GLY H 4.950 . 5.000 4.070 3.201 5.001 0.001 2 0 "[ . 1 .]" 1
800 1 14 TRP HE1 1 87 ALA HA 4.710 . 4.760 3.821 3.374 4.389 . 0 0 "[ . 1 .]" 1
801 1 14 TRP HE1 1 91 TRP HA 4.380 . 4.420 3.623 3.274 4.002 . 0 0 "[ . 1 .]" 1
802 1 14 TRP HE1 1 92 PRO HD2 4.690 . 4.740 4.106 3.632 4.707 . 0 0 "[ . 1 .]" 1
803 1 14 TRP HE1 1 92 PRO HD3 4.690 . 4.740 3.748 3.482 4.002 . 0 0 "[ . 1 .]" 1
804 1 14 TRP HE1 1 86 LEU QD 4.900 . 4.950 2.786 2.641 2.965 . 0 0 "[ . 1 .]" 1
805 1 88 ALA MB 1 89 GLN HE22 4.100 . 4.140 2.682 2.220 2.971 . 0 0 "[ . 1 .]" 1
806 1 86 LEU HA 1 89 GLN HE22 4.930 . 4.980 3.437 2.253 4.898 . 0 0 "[ . 1 .]" 1
807 1 5 ASN H 1 5 ASN QB 3.570 . 3.610 2.324 2.208 2.513 . 0 0 "[ . 1 .]" 1
808 1 6 ARG HA 1 6 ARG QD 4.400 . 4.440 3.597 1.872 4.249 . 0 0 "[ . 1 .]" 1
809 1 7 PHE QB 1 7 PHE HD2 3.170 . 3.200 2.305 2.286 2.335 . 0 0 "[ . 1 .]" 1
810 1 7 PHE QB 1 8 LEU H 3.600 . 3.640 2.412 2.324 2.527 . 0 0 "[ . 1 .]" 1
811 1 8 LEU H 1 8 LEU QB 3.510 . 3.550 2.436 2.330 2.493 . 0 0 "[ . 1 .]" 1
812 1 8 LEU HA 1 8 LEU QD 4.070 . 4.110 2.154 1.950 2.903 . 0 0 "[ . 1 .]" 1
813 1 8 LEU HA 1 11 ILE QG 3.980 . 4.020 2.766 2.512 3.160 . 0 0 "[ . 1 .]" 1
814 1 8 LEU QD 1 43 GLU HA 4.470 . 4.510 4.036 3.147 4.513 0.003 3 0 "[ . 1 .]" 1
815 1 8 LEU QD 1 43 GLU QG 3.860 . 3.900 3.343 2.901 3.907 0.007 9 0 "[ . 1 .]" 1
816 1 10 SER H 1 10 SER QB 3.360 . 3.390 2.401 2.207 2.782 . 0 0 "[ . 1 .]" 1
817 1 10 SER QB 1 11 ILE H 4.400 . 4.440 2.688 2.457 3.421 . 0 0 "[ . 1 .]" 1
818 1 11 ILE H 1 11 ILE QG 3.350 . 3.380 2.149 2.104 2.240 . 0 0 "[ . 1 .]" 1
819 1 11 ILE HA 1 11 ILE QG 3.560 . 3.600 2.929 2.885 2.957 . 0 0 "[ . 1 .]" 1
820 1 11 ILE MD 1 92 PRO QB 4.200 . 4.240 3.134 2.295 3.893 . 0 0 "[ . 1 .]" 1
821 1 12 VAL H 1 47 VAL QG 4.110 . 4.150 3.460 3.006 3.880 . 0 0 "[ . 1 .]" 1
822 1 12 VAL HA 1 51 LEU QD 4.410 . 4.450 3.056 2.452 3.807 . 0 0 "[ . 1 .]" 1
823 1 12 VAL HB 1 47 VAL QG 4.580 . 4.630 4.226 3.932 4.443 . 0 0 "[ . 1 .]" 1
824 1 12 VAL HB 1 51 LEU QD 4.380 . 4.420 4.225 4.027 4.393 . 0 0 "[ . 1 .]" 1
825 1 12 VAL MG1 1 16 ARG QG 4.570 . 4.620 3.440 3.012 3.656 . 0 0 "[ . 1 .]" 1
826 1 12 VAL MG1 1 16 ARG QD 3.550 . 3.590 2.705 2.411 3.218 . 0 0 "[ . 1 .]" 1
827 1 12 VAL MG1 1 50 GLU QB 5.340 . 5.390 4.550 3.692 5.178 . 0 0 "[ . 1 .]" 1
828 1 12 VAL MG1 1 50 GLU QG 4.600 . 4.650 3.340 2.416 4.015 . 0 0 "[ . 1 .]" 1
829 1 12 VAL MG2 1 47 VAL QG 3.080 . 3.110 1.876 1.784 2.025 0.016 7 0 "[ . 1 .]" 1
830 1 12 VAL MG2 1 50 GLU QB 4.750 . 4.800 3.841 2.571 4.731 . 0 0 "[ . 1 .]" 1
831 1 12 VAL MG2 1 50 GLU QG 3.580 . 3.620 2.680 1.793 3.463 0.007 4 0 "[ . 1 .]" 1
832 1 13 ALA HA 1 16 ARG QG 4.250 . 4.290 2.104 1.911 2.276 . 0 0 "[ . 1 .]" 1
833 1 13 ALA HA 1 16 ARG QD 4.080 . 4.120 2.710 2.239 3.480 . 0 0 "[ . 1 .]" 1
834 1 13 ALA MB 1 16 ARG QG 3.660 . 3.700 3.554 3.384 3.705 0.005 1 0 "[ . 1 .]" 1
835 1 14 TRP HD1 1 89 GLN QB 3.240 . 3.270 2.546 1.889 3.273 0.003 7 0 "[ . 1 .]" 1
836 1 14 TRP HD1 1 90 GLY QA 5.340 . 5.390 4.294 3.362 5.388 . 0 0 "[ . 1 .]" 1
837 1 14 TRP HE1 1 86 LEU QB 4.520 . 4.570 2.515 2.159 2.824 . 0 0 "[ . 1 .]" 1
838 1 14 TRP HE1 1 89 GLN QB 4.510 . 4.560 3.338 2.290 4.066 . 0 0 "[ . 1 .]" 1
839 1 14 TRP HZ3 1 35 LEU QD 3.280 . 3.310 2.200 1.797 2.891 0.003 8 0 "[ . 1 .]" 1
840 1 14 TRP HZ3 1 93 LEU QD 4.600 . 4.650 2.634 1.924 3.204 . 0 0 "[ . 1 .]" 1
841 1 14 TRP HZ2 1 86 LEU QB 3.320 . 3.350 2.343 2.002 2.722 . 0 0 "[ . 1 .]" 1
842 1 14 TRP HZ2 1 92 PRO QD 4.170 . 4.210 3.181 2.999 3.371 . 0 0 "[ . 1 .]" 1
843 1 14 TRP HH2 1 35 LEU QD 4.040 . 4.080 3.098 2.730 3.886 . 0 0 "[ . 1 .]" 1
844 1 14 TRP HH2 1 38 ARG QB 5.340 . 5.390 5.312 4.960 5.410 0.020 8 0 "[ . 1 .]" 1
845 1 14 TRP HH2 1 93 LEU QD 3.400 . 3.430 2.000 1.797 2.349 0.003 4 0 "[ . 1 .]" 1
846 1 16 ARG H 1 16 ARG QG 3.300 . 3.330 2.209 2.006 2.418 . 0 0 "[ . 1 .]" 1
847 1 16 ARG H 1 16 ARG QD 4.400 . 4.440 3.824 3.673 4.079 . 0 0 "[ . 1 .]" 1
848 1 16 ARG H 1 51 LEU QD 4.950 . 5.000 3.385 2.800 4.248 . 0 0 "[ . 1 .]" 1
849 1 16 ARG HA 1 16 ARG QD 4.770 . 4.820 4.443 4.202 4.614 . 0 0 "[ . 1 .]" 1
850 1 16 ARG HA 1 51 LEU QD 4.640 . 4.690 3.351 2.957 4.286 . 0 0 "[ . 1 .]" 1
851 1 16 ARG QB 1 17 ALA H 3.860 . 3.900 3.529 3.482 3.623 . 0 0 "[ . 1 .]" 1
852 1 16 ARG QG 1 51 LEU QD 3.830 . 3.870 3.599 3.233 3.872 0.002 2 0 "[ . 1 .]" 1
853 1 16 ARG QD 1 51 LEU QD 3.880 . 3.920 3.070 2.394 3.938 0.018 6 0 "[ . 1 .]" 1
854 1 17 ALA H 1 18 GLY QA 4.630 . 4.680 4.459 4.418 4.506 . 0 0 "[ . 1 .]" 1
855 1 18 GLY QA 1 86 LEU QD 3.590 . 3.630 1.858 1.747 2.088 0.053 11 0 "[ . 1 .]" 1
856 1 18 GLY QA 1 89 GLN QE 4.330 . 4.370 2.117 1.794 3.035 0.006 12 0 "[ . 1 .]" 1
857 1 19 TYR HA 1 20 PRO QD 3.400 . 3.430 2.029 1.942 2.106 . 0 0 "[ . 1 .]" 1
858 1 19 TYR QD 1 23 ILE QG 4.310 . 4.350 2.753 2.278 3.347 . 0 0 "[ . 1 .]" 1
859 1 19 TYR QE 1 27 ASP QB 4.480 . 4.520 3.477 3.085 4.115 . 0 0 "[ . 1 .]" 1
860 1 20 PRO QD 1 21 GLU H 4.060 . 4.100 2.690 2.583 2.870 . 0 0 "[ . 1 .]" 1
861 1 21 GLU H 1 21 GLU QB 3.420 . 3.450 2.660 2.461 2.908 . 0 0 "[ . 1 .]" 1
862 1 21 GLU HA 1 21 GLU QG 3.390 . 3.420 3.108 2.488 3.346 . 0 0 "[ . 1 .]" 1
863 1 23 ILE H 1 23 ILE QG 4.020 . 4.060 2.877 2.007 3.364 . 0 0 "[ . 1 .]" 1
864 1 23 ILE QG 1 23 ILE MG 3.190 . 3.220 2.159 2.069 2.328 . 0 0 "[ . 1 .]" 1
865 1 23 ILE MG 1 27 ASP QB 3.840 . 3.880 2.925 2.263 3.892 0.012 4 0 "[ . 1 .]" 1
866 1 24 PRO HA 1 58 ASP QB 3.460 . 3.490 3.188 2.282 3.498 0.008 8 0 "[ . 1 .]" 1
867 1 24 PRO QB 1 25 PRO HD2 3.440 . 3.470 2.470 2.171 2.876 . 0 0 "[ . 1 .]" 1
868 1 24 PRO HG2 1 27 ASP QB 4.200 . 4.240 3.223 2.181 4.179 . 0 0 "[ . 1 .]" 1
869 1 24 PRO HD2 1 27 ASP QB 4.210 . 4.250 2.876 2.036 4.203 . 0 0 "[ . 1 .]" 1
870 1 25 PRO HA 1 28 SER QB 4.080 . 4.120 3.034 2.296 3.624 . 0 0 "[ . 1 .]" 1
871 1 25 PRO HD3 1 58 ASP QB 3.520 . 3.560 3.053 2.392 3.564 0.004 12 0 "[ . 1 .]" 1
872 1 27 ASP H 1 27 ASP QB 3.420 . 3.450 2.543 2.351 2.938 . 0 0 "[ . 1 .]" 1
873 1 27 ASP H 1 28 SER QB 5.300 . 5.350 4.514 3.928 5.125 . 0 0 "[ . 1 .]" 1
874 1 27 ASP QB 1 28 SER H 4.170 . 4.210 3.259 2.854 3.829 . 0 0 "[ . 1 .]" 1
875 1 27 ASP QB 1 82 VAL QG . . 3.670 2.750 2.046 3.218 . 0 0 "[ . 1 .]" 1
876 1 28 SER H 1 28 SER QB 3.260 . 3.290 2.499 2.251 2.871 . 0 0 "[ . 1 .]" 1
877 1 28 SER QB 1 29 PHE H 3.600 . 3.640 2.825 2.421 3.379 . 0 0 "[ . 1 .]" 1
878 1 28 SER QB 1 31 VAL HB 4.780 . 4.830 4.319 3.995 4.784 . 0 0 "[ . 1 .]" 1
879 1 28 SER QB 1 60 ILE MD 3.730 . 3.770 2.360 1.872 3.374 . 0 0 "[ . 1 .]" 1
880 1 28 SER QB 1 62 ILE MD 4.470 . 4.510 2.667 1.797 4.348 0.003 9 0 "[ . 1 .]" 1
881 1 29 PHE H 1 29 PHE QB 3.350 . 3.380 2.395 2.330 2.513 . 0 0 "[ . 1 .]" 1
882 1 29 PHE HA 1 32 LEU QB 4.190 . 4.230 2.755 1.956 3.695 . 0 0 "[ . 1 .]" 1
883 1 29 PHE QB 1 30 ALA H 4.060 . 4.100 2.697 2.483 2.847 . 0 0 "[ . 1 .]" 1
884 1 29 PHE QB 1 65 VAL QG 4.940 . 4.990 3.317 2.615 3.573 . 0 0 "[ . 1 .]" 1
885 1 29 PHE QB 1 74 PRO HB2 4.780 . 4.830 3.336 3.051 3.629 . 0 0 "[ . 1 .]" 1
886 1 29 PHE QB 1 74 PRO QG . . 4.520 3.290 2.888 3.670 . 0 0 "[ . 1 .]" 1
887 1 29 PHE HD1 1 65 VAL QG 3.370 . 3.400 3.446 2.997 3.700 0.300 3 0 "[ . 1 .]" 1
888 1 29 PHE HE1 1 65 VAL QG 3.290 . 3.320 2.973 2.695 3.289 . 0 0 "[ . 1 .]" 1
889 1 29 PHE HE2 1 65 VAL QG 3.570 . 3.610 2.948 2.483 3.495 . 0 0 "[ . 1 .]" 1
890 1 29 PHE HD2 1 65 VAL QG 3.650 . 3.690 3.126 2.655 3.696 0.006 6 0 "[ . 1 .]" 1
891 1 30 ALA H 1 79 VAL QG 4.600 . 4.650 4.459 3.992 4.654 0.004 13 0 "[ . 1 .]" 1
892 1 30 ALA MB 1 78 ASP QB 3.460 . 3.490 2.532 1.799 3.429 0.001 13 0 "[ . 1 .]" 1
893 1 30 ALA MB 1 79 VAL QG 3.330 . 3.360 2.698 2.371 3.000 . 0 0 "[ . 1 .]" 1
894 1 31 VAL QG 1 35 LEU QB 3.740 . 3.780 3.209 2.581 3.460 . 0 0 "[ . 1 .]" 1
895 1 32 LEU H 1 32 LEU QB 3.530 . 3.570 2.244 2.112 2.403 . 0 0 "[ . 1 .]" 1
896 1 32 LEU QB 1 66 ILE MG 3.770 . 3.810 2.336 1.797 3.122 0.003 9 0 "[ . 1 .]" 1
897 1 33 ALA MB 1 74 PRO QD 3.630 . 3.670 3.372 3.106 3.565 . 0 0 "[ . 1 .]" 1
898 1 34 LEU H 1 35 LEU QB 4.760 . 4.810 4.537 4.370 4.694 . 0 0 "[ . 1 .]" 1
899 1 34 LEU HA 1 37 ARG QG 3.900 . 3.940 3.234 2.597 3.710 . 0 0 "[ . 1 .]" 1
900 1 35 LEU H 1 35 LEU QB 3.190 . 3.220 2.285 2.128 2.394 . 0 0 "[ . 1 .]" 1
901 1 35 LEU H 1 35 LEU QD 4.120 . 4.160 2.962 2.370 3.675 . 0 0 "[ . 1 .]" 1
902 1 35 LEU HA 1 35 LEU QD 3.340 . 3.370 1.953 1.816 2.353 . 0 0 "[ . 1 .]" 1
903 1 35 LEU HA 1 93 LEU QD 4.240 . 4.280 3.023 1.984 3.946 . 0 0 "[ . 1 .]" 1
904 1 35 LEU QB 1 36 CYS H 3.920 . 3.960 2.818 2.676 3.001 . 0 0 "[ . 1 .]" 1
905 1 35 LEU QB 1 44 VAL MG1 3.260 . 3.290 1.998 1.798 2.580 0.002 9 0 "[ . 1 .]" 1
906 1 36 CYS HB3 1 37 ARG QG 3.880 . 3.920 3.502 3.106 3.924 0.004 9 0 "[ . 1 .]" 1
907 1 37 ARG H 1 37 ARG QB 3.160 . 3.190 2.492 2.422 2.554 . 0 0 "[ . 1 .]" 1
908 1 37 ARG QB 1 38 ARG H 4.220 . 4.260 3.264 2.970 3.400 . 0 0 "[ . 1 .]" 1
909 1 38 ARG H 1 38 ARG QB 3.610 . 3.650 2.454 2.339 2.575 . 0 0 "[ . 1 .]" 1
910 1 38 ARG HA 1 38 ARG QD 3.950 . 3.990 2.706 1.965 3.922 . 0 0 "[ . 1 .]" 1
911 1 38 ARG QB 1 39 LEU H 3.880 . 3.920 2.498 2.205 2.743 . 0 0 "[ . 1 .]" 1
912 1 38 ARG QB 1 93 LEU QD 3.870 . 3.910 2.181 1.841 2.677 . 0 0 "[ . 1 .]" 1
913 1 38 ARG QG 1 39 LEU HG 3.540 . 3.580 2.278 1.867 3.604 0.024 12 0 "[ . 1 .]" 1
914 1 38 ARG QG 1 93 LEU QD 4.050 . 4.090 2.646 1.798 3.302 0.002 6 0 "[ . 1 .]" 1
915 1 38 ARG QD 1 39 LEU HG 4.050 . 4.090 3.853 1.796 4.104 0.014 5 0 "[ . 1 .]" 1
916 1 39 LEU H 1 39 LEU QB 3.580 . 3.620 2.561 2.444 2.643 . 0 0 "[ . 1 .]" 1
917 1 39 LEU H 1 39 LEU QD 4.220 . 4.260 3.508 3.285 3.664 . 0 0 "[ . 1 .]" 1
918 1 39 LEU HA 1 39 LEU QD 3.540 . 3.580 2.054 1.995 2.171 . 0 0 "[ . 1 .]" 1
919 1 39 LEU QB 1 40 SER H 3.730 . 3.770 2.466 2.057 3.065 . 0 0 "[ . 1 .]" 1
920 1 39 LEU QB 1 43 GLU QB 3.910 . 3.950 1.860 1.781 2.056 0.019 11 0 "[ . 1 .]" 1
921 1 39 LEU QB 1 44 VAL HA 4.630 . 4.680 4.304 3.925 4.682 0.002 6 0 "[ . 1 .]" 1
922 1 39 LEU QB 1 44 VAL MG1 3.280 . 3.310 2.525 1.955 2.871 . 0 0 "[ . 1 .]" 1
923 1 39 LEU HG 1 43 GLU QB 5.050 . 5.100 4.295 4.054 4.821 . 0 0 "[ . 1 .]" 1
924 1 39 LEU HG 1 43 GLU QG 4.630 . 4.680 4.636 4.175 4.690 0.010 11 0 "[ . 1 .]" 1
925 1 39 LEU QD 1 40 SER H 4.300 . 4.340 3.314 3.139 3.523 . 0 0 "[ . 1 .]" 1
926 1 39 LEU QD 1 43 GLU QB 4.070 . 4.110 2.200 1.836 2.921 . 0 0 "[ . 1 .]" 1
927 1 40 SER H 1 43 GLU QB 3.880 . 3.920 2.733 2.434 3.002 . 0 0 "[ . 1 .]" 1
928 1 40 SER QB 1 43 GLU H 4.600 . 4.650 3.250 2.550 3.976 . 0 0 "[ . 1 .]" 1
929 1 41 HIS QB 1 42 ASP H 3.880 . 3.920 3.542 2.878 3.746 . 0 0 "[ . 1 .]" 1
930 1 41 HIS QB 1 66 ILE MD 4.070 . 4.110 3.084 2.571 3.650 . 0 0 "[ . 1 .]" 1
931 1 42 ASP H 1 42 ASP QB 3.380 . 3.410 2.289 2.205 2.494 . 0 0 "[ . 1 .]" 1
932 1 42 ASP QB 1 43 GLU H 3.440 . 3.470 2.601 2.249 2.962 . 0 0 "[ . 1 .]" 1
933 1 43 GLU H 1 43 GLU QB 3.450 . 3.480 2.401 2.095 2.531 . 0 0 "[ . 1 .]" 1
934 1 43 GLU H 1 43 GLU QG 4.550 . 4.600 3.180 2.832 4.058 . 0 0 "[ . 1 .]" 1
935 1 43 GLU HA 1 43 GLU QG 3.490 . 3.520 2.423 2.288 2.881 . 0 0 "[ . 1 .]" 1
936 1 43 GLU QB 1 44 VAL H 4.150 . 4.190 2.451 2.323 2.549 . 0 0 "[ . 1 .]" 1
937 1 43 GLU QB 1 44 VAL MG1 4.660 . 4.710 3.046 2.911 3.153 . 0 0 "[ . 1 .]" 1
938 1 43 GLU QB 1 44 VAL MG2 5.330 . 5.380 4.002 3.891 4.110 . 0 0 "[ . 1 .]" 1
939 1 45 LYS H 1 45 LYS QG 4.430 . 4.470 3.984 3.941 4.046 . 0 0 "[ . 1 .]" 1
940 1 46 ALA MB 1 47 VAL QG 4.050 . 4.090 3.625 3.089 3.799 . 0 0 "[ . 1 .]" 1
941 1 47 VAL H 1 47 VAL QG 3.240 . 3.270 2.170 2.063 2.377 . 0 0 "[ . 1 .]" 1
942 1 47 VAL QG 1 48 ALA H 3.760 . 3.800 2.309 2.097 2.962 . 0 0 "[ . 1 .]" 1
943 1 47 VAL QG 1 48 ALA HA 3.940 . 3.980 3.082 2.929 3.137 . 0 0 "[ . 1 .]" 1
944 1 47 VAL QG 1 51 LEU H 4.340 . 4.380 3.796 3.583 3.896 . 0 0 "[ . 1 .]" 1
945 1 47 VAL QG 1 51 LEU HB2 3.700 . 3.740 3.036 2.758 3.197 . 0 0 "[ . 1 .]" 1
946 1 49 ASN H 1 49 ASN QB 3.230 . 3.260 2.239 2.143 2.269 . 0 0 "[ . 1 .]" 1
947 1 49 ASN QB 1 50 GLU H 4.060 . 4.100 2.471 2.340 2.669 . 0 0 "[ . 1 .]" 1
948 1 50 GLU HA 1 53 ARG QB 4.110 . 4.150 2.549 1.917 3.379 . 0 0 "[ . 1 .]" 1
949 1 50 GLU QB 1 51 LEU H 4.140 . 4.180 3.005 2.303 3.578 . 0 0 "[ . 1 .]" 1
950 1 50 GLU QB 1 51 LEU QD 5.280 . 5.330 4.790 4.123 5.287 . 0 0 "[ . 1 .]" 1
951 1 50 GLU QG 1 51 LEU HA 3.950 . 3.990 3.313 3.131 3.532 . 0 0 "[ . 1 .]" 1
952 1 50 GLU QG 1 51 LEU HB2 4.040 . 4.080 3.711 3.210 4.092 0.012 12 0 "[ . 1 .]" 1
953 1 50 GLU QG 1 51 LEU QD 4.280 . 4.320 3.885 3.432 4.093 . 0 0 "[ . 1 .]" 1
954 1 51 LEU H 1 51 LEU QD 4.310 . 4.350 3.630 3.452 3.730 . 0 0 "[ . 1 .]" 1
955 1 51 LEU HA 1 51 LEU QD 3.340 . 3.370 1.935 1.827 2.073 . 0 0 "[ . 1 .]" 1
956 1 51 LEU QD 1 57 PHE HE2 3.600 . 3.640 2.578 1.800 3.642 0.002 6 0 "[ . 1 .]" 1
957 1 52 MET H 1 52 MET QB 3.520 . 3.560 2.337 2.289 2.415 . 0 0 "[ . 1 .]" 1
958 1 52 MET QB 1 53 ARG H 4.180 . 4.220 2.684 2.468 2.868 . 0 0 "[ . 1 .]" 1
959 1 53 ARG H 1 53 ARG QG 4.590 . 4.640 3.526 2.219 4.071 . 0 0 "[ . 1 .]" 1
960 1 53 ARG HA 1 53 ARG QG 3.440 . 3.470 2.670 2.387 3.031 . 0 0 "[ . 1 .]" 1
961 1 53 ARG QB 1 53 ARG QD 3.300 . 3.330 2.351 2.062 2.860 . 0 0 "[ . 1 .]" 1
962 1 54 LEU H 1 54 LEU QB 3.530 . 3.570 2.305 2.165 2.446 . 0 0 "[ . 1 .]" 1
963 1 54 LEU H 1 54 LEU QD 4.760 . 4.810 3.049 2.208 3.781 . 0 0 "[ . 1 .]" 1
964 1 54 LEU QB 1 55 GLY H 3.770 . 3.810 2.945 2.701 3.498 . 0 0 "[ . 1 .]" 1
965 1 58 ASP QB 1 60 ILE MG 3.870 . 3.910 3.024 2.390 3.414 . 0 0 "[ . 1 .]" 1
966 1 58 ASP QB 1 60 ILE MD 4.460 . 4.500 2.963 2.046 4.067 . 0 0 "[ . 1 .]" 1
967 1 59 GLN HA 1 59 GLN QG 3.690 . 3.730 2.705 2.333 3.494 . 0 0 "[ . 1 .]" 1
968 1 59 GLN HA 1 60 ILE QG 5.130 . 5.180 4.013 3.590 5.057 . 0 0 "[ . 1 .]" 1
969 1 60 ILE H 1 60 ILE QG 3.640 . 3.680 2.207 1.978 2.957 . 0 0 "[ . 1 .]" 1
970 1 60 ILE QG 1 62 ILE MD 4.200 . 4.240 2.793 2.467 3.382 . 0 0 "[ . 1 .]" 1
971 1 61 ASP QB 1 64 VAL HB 3.900 . 3.940 2.859 2.129 3.944 0.004 15 0 "[ . 1 .]" 1
972 1 61 ASP QB 1 64 VAL QG 3.890 . 3.930 2.403 1.883 3.834 . 0 0 "[ . 1 .]" 1
973 1 62 ILE H 1 62 ILE QG 3.280 . 3.310 2.508 2.147 2.845 . 0 0 "[ . 1 .]" 1
974 1 62 ILE H 1 65 VAL QG 5.440 . 5.490 4.702 4.268 5.156 . 0 0 "[ . 1 .]" 1
975 1 62 ILE HA 1 65 VAL QG 3.650 . 3.690 3.071 2.607 3.657 . 0 0 "[ . 1 .]" 1
976 1 63 GLY QA 1 66 ILE QG 4.420 . 4.460 2.372 2.006 2.979 . 0 0 "[ . 1 .]" 1
977 1 63 GLY QA 1 66 ILE MD 4.390 . 4.430 2.454 1.827 3.736 . 0 0 "[ . 1 .]" 1
978 1 64 VAL H 1 64 VAL QG 3.230 . 3.260 2.167 2.036 2.322 . 0 0 "[ . 1 .]" 1
979 1 64 VAL HA 1 64 VAL QG 3.030 . 3.060 2.150 2.118 2.296 . 0 0 "[ . 1 .]" 1
980 1 64 VAL QG 1 65 VAL HA 4.390 . 4.430 3.250 2.907 3.518 . 0 0 "[ . 1 .]" 1
981 1 65 VAL H 1 65 VAL QG 3.390 . 3.420 2.118 1.965 2.328 . 0 0 "[ . 1 .]" 1
982 1 65 VAL QG 1 66 ILE H 3.760 . 3.800 3.233 3.011 3.389 . 0 0 "[ . 1 .]" 1
983 1 65 VAL QG 1 66 ILE HA 5.230 . 5.280 3.321 2.951 3.634 . 0 0 "[ . 1 .]" 1
984 1 65 VAL QG 1 67 THR H 4.840 . 4.890 4.526 4.368 4.742 . 0 0 "[ . 1 .]" 1
985 1 66 ILE H 1 66 ILE QG 3.640 . 3.680 1.998 1.823 2.209 . 0 0 "[ . 1 .]" 1
986 1 66 ILE QG 1 67 THR H 4.160 . 4.200 2.404 1.928 2.845 . 0 0 "[ . 1 .]" 1
987 1 68 HIS H 1 68 HIS QB 3.440 . 3.470 2.700 2.552 2.816 . 0 0 "[ . 1 .]" 1
988 1 69 PHE H 1 69 PHE QB 3.450 . 3.480 2.352 2.271 2.464 . 0 0 "[ . 1 .]" 1
989 1 69 PHE QB 1 70 THR H 3.950 . 3.990 2.781 2.068 3.231 . 0 0 "[ . 1 .]" 1
990 1 69 PHE QE 1 74 PRO QD 3.940 . 3.980 3.758 2.815 3.966 . 0 0 "[ . 1 .]" 1
991 1 69 PHE QD 1 74 PRO QD 3.750 . 3.790 2.736 2.221 2.951 . 0 0 "[ . 1 .]" 1
992 1 70 THR H 1 73 LEU QB 4.720 . 4.770 4.119 3.158 4.775 0.005 6 0 "[ . 1 .]" 1
993 1 72 GLU H 1 72 GLU QB 3.450 . 3.480 2.428 2.101 2.859 . 0 0 "[ . 1 .]" 1
994 1 72 GLU H 1 72 GLU QG 4.490 . 4.530 3.220 2.010 4.111 . 0 0 "[ . 1 .]" 1
995 1 72 GLU HA 1 72 GLU QG 3.680 . 3.720 2.612 2.260 3.340 . 0 0 "[ . 1 .]" 1
996 1 72 GLU QB 1 73 LEU H 4.240 . 4.280 2.874 2.508 3.986 . 0 0 "[ . 1 .]" 1
997 1 73 LEU QB 1 75 SER H 4.970 . 5.020 4.243 3.607 4.993 . 0 0 "[ . 1 .]" 1
998 1 74 PRO HB2 1 78 ASP QB 4.370 . 4.410 3.664 2.989 4.252 . 0 0 "[ . 1 .]" 1
999 1 74 PRO HB2 1 79 VAL QG 3.900 . 3.940 2.579 2.249 2.988 . 0 0 "[ . 1 .]" 1
1000 1 74 PRO HB3 1 79 VAL QG 4.740 . 4.790 3.828 3.511 4.279 . 0 0 "[ . 1 .]" 1
1001 1 74 PRO QG 1 79 VAL QG 3.560 . 3.600 2.766 2.316 3.296 . 0 0 "[ . 1 .]" 1
1002 1 75 SER H 1 75 SER QB 3.440 . 3.470 2.612 2.469 2.944 . 0 0 "[ . 1 .]" 1
1003 1 75 SER H 1 78 ASP QB 4.060 . 4.100 2.897 2.383 3.475 . 0 0 "[ . 1 .]" 1
1004 1 75 SER H 1 79 VAL QG 4.610 . 4.660 3.788 3.361 4.148 . 0 0 "[ . 1 .]" 1
1005 1 75 SER HA 1 76 PRO QD 3.340 . 3.370 1.932 1.798 2.119 0.002 1 0 "[ . 1 .]" 1
1006 1 75 SER QB 1 76 PRO QD 3.660 . 3.700 2.472 1.999 3.063 . 0 0 "[ . 1 .]" 1
1007 1 75 SER QB 1 77 GLU H 4.350 . 4.390 2.969 2.519 3.233 . 0 0 "[ . 1 .]" 1
1008 1 76 PRO HA 1 79 VAL QG 4.310 . 4.350 2.556 1.796 3.189 0.004 1 0 "[ . 1 .]" 1
1009 1 76 PRO QG 1 77 GLU H 4.000 . 4.040 3.277 2.294 3.839 . 0 0 "[ . 1 .]" 1
1010 1 76 PRO QD 1 77 GLU H 4.370 . 4.410 2.875 2.563 3.260 . 0 0 "[ . 1 .]" 1
1011 1 77 GLU H 1 77 GLU QB 3.250 . 3.280 2.423 2.029 2.600 . 0 0 "[ . 1 .]" 1
1012 1 77 GLU HA 1 77 GLU QG 3.260 . 3.290 2.692 2.305 3.311 0.021 10 0 "[ . 1 .]" 1
1013 1 77 GLU HA 1 80 GLU QB 3.450 . 3.480 2.750 2.108 3.278 . 0 0 "[ . 1 .]" 1
1014 1 78 ASP H 1 78 ASP QB 3.360 . 3.390 2.319 2.128 2.576 . 0 0 "[ . 1 .]" 1
1015 1 78 ASP QB 1 79 VAL QG 4.140 . 4.180 3.160 2.920 3.447 . 0 0 "[ . 1 .]" 1
1016 1 79 VAL HA 1 79 VAL QG 2.960 . 2.990 2.157 2.123 2.262 . 0 0 "[ . 1 .]" 1
1017 1 79 VAL QG 1 80 GLU H 3.870 . 3.910 2.909 1.985 3.314 . 0 0 "[ . 1 .]" 1
1018 1 80 GLU H 1 80 GLU QB 3.090 . 3.120 2.262 2.150 2.457 . 0 0 "[ . 1 .]" 1
1019 1 80 GLU H 1 80 GLU QG 4.130 . 4.170 3.565 2.234 4.022 . 0 0 "[ . 1 .]" 1
1020 1 80 GLU HA 1 83 ARG QB 3.060 . 3.090 2.359 2.083 2.668 . 0 0 "[ . 1 .]" 1
1021 1 80 GLU QB 1 81 ARG H 3.370 . 3.400 2.634 2.382 2.884 . 0 0 "[ . 1 .]" 1
1022 1 81 ARG H 1 81 ARG QB 3.100 . 3.130 2.229 2.097 2.371 . 0 0 "[ . 1 .]" 1
1023 1 81 ARG HA 1 81 ARG QG 3.190 . 3.220 2.528 2.216 3.205 . 0 0 "[ . 1 .]" 1
1024 1 81 ARG QB 1 82 VAL H 3.920 . 3.960 2.394 2.196 2.656 . 0 0 "[ . 1 .]" 1
1025 1 82 VAL HA 1 85 ARG QB 3.860 . 3.900 2.364 1.997 2.858 . 0 0 "[ . 1 .]" 1
1026 1 82 VAL QG 1 83 ARG QB 3.700 . 3.740 3.153 3.003 3.276 . 0 0 "[ . 1 .]" 1
1027 1 83 ARG H 1 83 ARG QB 3.190 . 3.220 2.229 2.190 2.275 . 0 0 "[ . 1 .]" 1
1028 1 83 ARG HA 1 83 ARG QG 3.570 . 3.610 2.499 2.356 2.635 . 0 0 "[ . 1 .]" 1
1029 1 83 ARG HA 1 86 LEU QB 4.800 . 4.850 3.205 3.052 3.404 . 0 0 "[ . 1 .]" 1
1030 1 83 ARG QB 1 91 TRP HH2 4.210 . 4.250 3.321 2.951 4.242 . 0 0 "[ . 1 .]" 1
1031 1 83 ARG QG 1 84 ALA H 4.540 . 4.590 3.607 2.987 4.133 . 0 0 "[ . 1 .]" 1
1032 1 83 ARG QG 1 91 TRP HH2 3.570 . 3.610 2.587 1.839 3.428 . 0 0 "[ . 1 .]" 1
1033 1 85 ARG H 1 85 ARG QB 2.970 . 3.000 2.239 2.048 2.379 . 0 0 "[ . 1 .]" 1
1034 1 85 ARG H 1 85 ARG QG 4.600 . 4.650 3.449 2.378 4.051 . 0 0 "[ . 1 .]" 1
1035 1 85 ARG HA 1 85 ARG QG 3.400 . 3.430 2.716 2.304 3.088 . 0 0 "[ . 1 .]" 1
1036 1 85 ARG QB 1 85 ARG QD 3.190 . 3.220 2.299 2.103 2.914 . 0 0 "[ . 1 .]" 1
1037 1 85 ARG QB 1 86 LEU H 3.950 . 3.990 2.534 2.300 2.725 . 0 0 "[ . 1 .]" 1
1038 1 85 ARG QG 1 86 LEU H 5.340 . 5.390 3.890 3.226 4.509 . 0 0 "[ . 1 .]" 1
1039 1 86 LEU H 1 86 LEU QB 3.320 . 3.350 2.177 2.138 2.200 . 0 0 "[ . 1 .]" 1
1040 1 86 LEU QB 1 87 ALA H 4.270 . 4.310 2.865 2.690 3.021 . 0 0 "[ . 1 .]" 1
1041 1 86 LEU QB 1 91 TRP HZ3 4.380 . 4.420 2.193 1.994 2.568 . 0 0 "[ . 1 .]" 1
1042 1 86 LEU QB 1 91 TRP HH2 4.710 . 4.760 3.882 3.539 4.063 . 0 0 "[ . 1 .]" 1
1043 1 88 ALA MB 1 89 GLN QB 4.320 . 4.360 4.163 3.912 4.335 . 0 0 "[ . 1 .]" 1
1044 1 89 GLN H 1 89 GLN QB 3.440 . 3.470 2.364 2.273 2.555 . 0 0 "[ . 1 .]" 1
1045 1 89 GLN H 1 89 GLN QG 4.240 . 4.280 3.659 3.339 3.859 . 0 0 "[ . 1 .]" 1
1046 1 89 GLN HA 1 89 GLN QG 3.680 . 3.720 2.410 2.176 2.514 . 0 0 "[ . 1 .]" 1
1047 1 89 GLN QB 1 90 GLY H 4.450 . 4.490 3.389 2.761 3.711 . 0 0 "[ . 1 .]" 1
1048 1 91 TRP HA 1 92 PRO QD 3.420 . 3.450 2.028 1.956 2.107 . 0 0 "[ . 1 .]" 1
1049 1 91 TRP QB 1 91 TRP HD1 3.340 . 3.370 2.566 2.525 2.634 . 0 0 "[ . 1 .]" 1
1050 1 91 TRP HD1 1 93 LEU QB 4.110 . 4.150 3.062 2.735 3.723 . 0 0 "[ . 1 .]" 1
1051 1 91 TRP HD1 1 94 ASP QB 4.230 . 4.270 3.338 2.276 4.276 0.006 15 0 "[ . 1 .]" 1
1052 1 91 TRP HE1 1 93 LEU QB 3.730 . 3.770 2.282 2.147 2.660 . 0 0 "[ . 1 .]" 1
1053 1 91 TRP HE1 1 93 LEU QD 4.400 . 4.440 3.136 2.457 3.962 . 0 0 "[ . 1 .]" 1
1054 1 91 TRP HZ2 1 93 LEU QD 3.720 . 3.760 2.655 2.079 3.694 . 0 0 "[ . 1 .]" 1
1055 1 91 TRP HH2 1 93 LEU QD 4.360 . 4.400 3.584 3.142 4.193 . 0 0 "[ . 1 .]" 1
1056 1 93 LEU HA 1 93 LEU QD 3.430 . 3.460 2.217 1.856 2.894 . 0 0 "[ . 1 .]" 1
1057 1 93 LEU QB 1 94 ASP H 4.190 . 4.230 3.186 2.001 3.882 . 0 0 "[ . 1 .]" 1
1058 1 94 ASP H 1 94 ASP QB 3.490 . 3.520 2.741 2.279 3.084 . 0 0 "[ . 1 .]" 1
1059 1 95 ASP H 1 95 ASP QB 3.290 . 3.320 2.502 2.208 2.965 . 0 0 "[ . 1 .]" 1
1060 1 95 ASP HA 1 96 VAL QG 4.280 . 4.320 3.586 3.257 4.229 . 0 0 "[ . 1 .]" 1
1061 1 95 ASP QB 1 96 VAL H 3.380 . 3.410 2.941 1.982 3.438 0.028 5 0 "[ . 1 .]" 1
1062 1 96 VAL H 1 96 VAL QG 2.830 . 2.860 2.317 1.877 2.864 0.004 5 0 "[ . 1 .]" 1
1063 1 96 VAL HA 1 96 VAL QG 3.090 . 3.120 2.211 2.127 2.361 . 0 0 "[ . 1 .]" 1
1064 1 96 VAL QG 1 97 ARG H 4.340 . 4.380 2.739 2.371 3.297 . 0 0 "[ . 1 .]" 1
1065 1 96 VAL QG 1 98 ASP H 5.070 . 5.120 3.806 1.793 5.132 0.012 8 0 "[ . 1 .]" 1
1066 1 97 ARG H 1 97 ARG QB 3.270 . 3.300 2.634 2.395 3.133 . 0 0 "[ . 1 .]" 1
1067 1 97 ARG H 1 97 ARG QG 3.460 . 3.490 2.518 1.800 3.322 . 0 0 "[ . 1 .]" 1
1068 1 97 ARG HA 1 97 ARG QG 3.620 . 3.660 2.959 2.396 3.485 . 0 0 "[ . 1 .]" 1
1069 1 97 ARG QB 1 98 ASP H 3.770 . 3.810 3.069 1.822 3.845 0.035 11 0 "[ . 1 .]" 1
1070 1 98 ASP QB 1 99 ARG H 4.280 . 4.320 3.388 2.382 3.999 . 0 0 "[ . 1 .]" 1
1071 1 100 GLU H 1 100 GLU QB 3.590 . 3.630 2.716 2.213 3.381 . 0 0 "[ . 1 .]" 1
1072 1 100 GLU H 1 101 GLU QG 4.560 . 4.610 4.007 2.657 4.625 0.015 6 0 "[ . 1 .]" 1
1073 1 100 GLU HA 1 100 GLU QG 3.640 . 3.680 2.842 2.306 3.465 . 0 0 "[ . 1 .]" 1
1074 1 100 GLU HA 1 101 GLU QG 4.260 . 4.300 3.980 3.173 4.335 0.035 15 0 "[ . 1 .]" 1
1075 1 101 GLU QG 1 102 HIS H 4.650 . 4.700 4.107 3.679 4.708 0.008 11 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 64
_Distance_constraint_stats_list.Viol_count 226
_Distance_constraint_stats_list.Viol_total 21.368
_Distance_constraint_stats_list.Viol_max 0.022
_Distance_constraint_stats_list.Viol_rms 0.0034
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0063
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 7 PHE 0.056 0.009 2 0 "[ . 1 .]"
1 8 LEU 0.009 0.006 14 0 "[ . 1 .]"
1 9 THR 0.012 0.004 1 0 "[ . 1 .]"
1 10 SER 0.013 0.007 9 0 "[ . 1 .]"
1 11 ILE 0.056 0.009 2 0 "[ . 1 .]"
1 12 VAL 0.064 0.011 3 0 "[ . 1 .]"
1 13 ALA 0.019 0.005 5 0 "[ . 1 .]"
1 14 TRP 0.145 0.016 8 0 "[ . 1 .]"
1 15 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 16 ARG 0.240 0.016 9 0 "[ . 1 .]"
1 17 ALA 0.007 0.005 5 0 "[ . 1 .]"
1 18 GLY 0.132 0.016 8 0 "[ . 1 .]"
1 19 TYR 0.189 0.016 9 0 "[ . 1 .]"
1 22 GLY 0.005 0.002 6 0 "[ . 1 .]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 28 SER 0.063 0.014 1 0 "[ . 1 .]"
1 29 PHE 0.090 0.011 9 0 "[ . 1 .]"
1 30 ALA 0.045 0.016 5 0 "[ . 1 .]"
1 31 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 32 LEU 0.103 0.014 1 0 "[ . 1 .]"
1 33 ALA 0.090 0.011 9 0 "[ . 1 .]"
1 34 LEU 0.045 0.016 5 0 "[ . 1 .]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 36 CYS 0.040 0.014 13 0 "[ . 1 .]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 40 SER 0.098 0.017 6 0 "[ . 1 .]"
1 41 HIS 0.071 0.009 14 0 "[ . 1 .]"
1 42 ASP 0.041 0.011 8 0 "[ . 1 .]"
1 43 GLU 0.017 0.006 5 0 "[ . 1 .]"
1 44 VAL 0.146 0.017 6 0 "[ . 1 .]"
1 45 LYS 0.071 0.009 14 0 "[ . 1 .]"
1 46 ALA 0.061 0.012 8 0 "[ . 1 .]"
1 47 VAL 0.042 0.008 6 0 "[ . 1 .]"
1 48 ALA 0.072 0.011 9 0 "[ . 1 .]"
1 50 GLU 0.021 0.012 8 0 "[ . 1 .]"
1 51 LEU 0.026 0.008 6 0 "[ . 1 .]"
1 52 MET 0.024 0.008 7 0 "[ . 1 .]"
1 75 SER 0.070 0.016 13 0 "[ . 1 .]"
1 76 PRO 0.023 0.008 1 0 "[ . 1 .]"
1 78 ASP 0.078 0.020 3 0 "[ . 1 .]"
1 79 VAL 0.135 0.016 13 0 "[ . 1 .]"
1 80 GLU 0.083 0.013 6 0 "[ . 1 .]"
1 81 ARG 0.073 0.022 3 0 "[ . 1 .]"
1 82 VAL 0.078 0.020 3 0 "[ . 1 .]"
1 83 ARG 0.065 0.009 2 0 "[ . 1 .]"
1 84 ALA 0.060 0.013 6 0 "[ . 1 .]"
1 85 ARG 0.073 0.022 3 0 "[ . 1 .]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 .]"
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 7 PHE O 1 11 ILE H 2.000 . 2.000 1.985 1.885 2.009 0.009 2 0 "[ . 1 .]" 2
2 1 7 PHE O 1 11 ILE N 3.000 . 3.000 2.907 2.786 2.980 . 0 0 "[ . 1 .]" 2
3 1 8 LEU O 1 12 VAL H 2.000 . 2.000 1.923 1.808 2.006 0.006 14 0 "[ . 1 .]" 2
4 1 8 LEU O 1 12 VAL N 3.000 . 3.000 2.889 2.778 2.971 . 0 0 "[ . 1 .]" 2
5 1 9 THR O 1 13 ALA H 2.000 . 2.000 1.948 1.858 2.004 0.004 1 0 "[ . 1 .]" 2
6 1 9 THR O 1 13 ALA N 3.000 . 3.000 2.900 2.793 2.977 . 0 0 "[ . 1 .]" 2
7 1 10 SER O 1 14 TRP H 2.000 . 2.000 1.912 1.776 2.007 0.007 9 0 "[ . 1 .]" 2
8 1 10 SER O 1 14 TRP N 3.000 . 3.000 2.851 2.714 2.963 . 0 0 "[ . 1 .]" 2
9 1 11 ILE O 1 15 LEU H 2.000 . 2.000 1.808 1.741 1.928 . 0 0 "[ . 1 .]" 2
10 1 11 ILE O 1 15 LEU N 3.000 . 3.000 2.769 2.698 2.889 . 0 0 "[ . 1 .]" 2
11 1 12 VAL O 1 16 ARG H 2.000 . 2.000 1.966 1.745 2.011 0.011 3 0 "[ . 1 .]" 2
12 1 12 VAL O 1 16 ARG N 3.000 . 3.000 2.939 2.712 2.997 . 0 0 "[ . 1 .]" 2
13 1 13 ALA O 1 17 ALA H 2.000 . 2.000 1.924 1.806 2.005 0.005 5 0 "[ . 1 .]" 2
14 1 13 ALA O 1 17 ALA N 3.000 . 3.000 2.821 2.722 2.908 . 0 0 "[ . 1 .]" 2
15 1 14 TRP O 1 18 GLY H 2.000 . 2.000 2.009 2.003 2.016 0.016 8 0 "[ . 1 .]" 2
16 1 14 TRP O 1 18 GLY N 3.000 . 3.000 2.868 2.793 2.936 . 0 0 "[ . 1 .]" 2
17 1 16 ARG O 1 19 TYR H 2.200 . 2.200 2.212 2.208 2.216 0.016 9 0 "[ . 1 .]" 2
18 1 16 ARG O 1 19 TYR N 3.200 . 3.200 2.996 2.956 3.026 . 0 0 "[ . 1 .]" 2
19 1 19 TYR O 1 22 GLY H 2.200 . 2.200 2.130 2.007 2.202 0.002 6 0 "[ . 1 .]" 2
20 1 19 TYR O 1 22 GLY N 3.200 . 3.200 3.041 2.902 3.133 . 0 0 "[ . 1 .]" 2
21 1 27 ASP O 1 31 VAL H 2.000 . 2.000 1.809 1.684 1.946 . 0 0 "[ . 1 .]" 2
22 1 27 ASP O 1 31 VAL N 3.000 . 3.000 2.761 2.653 2.913 . 0 0 "[ . 1 .]" 2
23 1 28 SER O 1 32 LEU H 2.000 . 2.000 1.981 1.850 2.014 0.014 1 0 "[ . 1 .]" 2
24 1 28 SER O 1 32 LEU N 3.000 . 3.000 2.930 2.797 2.982 . 0 0 "[ . 1 .]" 2
25 1 29 PHE O 1 33 ALA H 2.000 . 2.000 2.001 1.942 2.011 0.011 9 0 "[ . 1 .]" 2
26 1 29 PHE O 1 33 ALA N 3.000 . 3.000 2.906 2.835 2.955 . 0 0 "[ . 1 .]" 2
27 1 30 ALA O 1 34 LEU H 2.000 . 2.000 1.975 1.874 2.016 0.016 5 0 "[ . 1 .]" 2
28 1 30 ALA O 1 34 LEU N 3.000 . 3.000 2.912 2.818 2.979 . 0 0 "[ . 1 .]" 2
29 1 31 VAL O 1 35 LEU H 2.000 . 2.000 1.806 1.740 1.891 . 0 0 "[ . 1 .]" 2
30 1 31 VAL O 1 35 LEU N 3.000 . 3.000 2.773 2.709 2.857 . 0 0 "[ . 1 .]" 2
31 1 32 LEU O 1 36 CYS H 2.000 . 2.000 1.960 1.864 2.014 0.014 13 0 "[ . 1 .]" 2
32 1 32 LEU O 1 36 CYS N 3.000 . 3.000 2.840 2.747 2.936 . 0 0 "[ . 1 .]" 2
33 1 35 LEU O 1 39 LEU H 2.200 . 2.200 1.733 1.640 1.836 . 0 0 "[ . 1 .]" 2
34 1 35 LEU O 1 39 LEU N 3.200 . 3.200 2.708 2.615 2.817 . 0 0 "[ . 1 .]" 2
35 1 40 SER O 1 44 VAL H 2.000 . 2.000 1.989 1.892 2.017 0.017 6 0 "[ . 1 .]" 2
36 1 40 SER O 1 44 VAL N 3.000 . 3.000 2.967 2.867 3.002 0.002 6 0 "[ . 1 .]" 2
37 1 41 HIS O 1 45 LYS H 2.000 . 2.000 2.004 1.982 2.009 0.009 14 0 "[ . 1 .]" 2
38 1 41 HIS O 1 45 LYS N 3.000 . 3.000 2.869 2.834 2.922 . 0 0 "[ . 1 .]" 2
39 1 42 ASP O 1 46 ALA H 2.000 . 2.000 1.967 1.838 2.011 0.011 8 0 "[ . 1 .]" 2
40 1 42 ASP O 1 46 ALA N 3.000 . 3.000 2.867 2.743 2.984 . 0 0 "[ . 1 .]" 2
41 1 43 GLU O 1 47 VAL H 2.000 . 2.000 1.952 1.857 2.006 0.006 5 0 "[ . 1 .]" 2
42 1 43 GLU O 1 47 VAL N 3.000 . 3.000 2.922 2.826 2.985 . 0 0 "[ . 1 .]" 2
43 1 44 VAL O 1 48 ALA H 2.000 . 2.000 1.972 1.757 2.011 0.011 9 0 "[ . 1 .]" 2
44 1 44 VAL O 1 48 ALA N 3.000 . 3.000 2.908 2.728 2.964 . 0 0 "[ . 1 .]" 2
45 1 46 ALA O 1 50 GLU H 2.000 . 2.000 1.939 1.832 2.012 0.012 8 0 "[ . 1 .]" 2
46 1 46 ALA O 1 50 GLU N 3.000 . 3.000 2.898 2.781 2.990 . 0 0 "[ . 1 .]" 2
47 1 47 VAL O 1 51 LEU H 2.000 . 2.000 1.939 1.739 2.008 0.008 6 0 "[ . 1 .]" 2
48 1 47 VAL O 1 51 LEU N 3.000 . 3.000 2.855 2.657 2.981 . 0 0 "[ . 1 .]" 2
49 1 48 ALA O 1 52 MET H 2.000 . 2.000 1.951 1.808 2.008 0.008 7 0 "[ . 1 .]" 2
50 1 48 ALA O 1 52 MET N 3.000 . 3.000 2.886 2.743 2.959 . 0 0 "[ . 1 .]" 2
51 1 75 SER O 1 79 VAL H 2.000 . 2.000 1.968 1.821 2.016 0.016 13 0 "[ . 1 .]" 2
52 1 75 SER O 1 79 VAL N 3.000 . 3.000 2.927 2.775 2.997 . 0 0 "[ . 1 .]" 2
53 1 76 PRO O 1 80 GLU H 2.000 . 2.000 1.937 1.830 2.008 0.008 1 0 "[ . 1 .]" 2
54 1 76 PRO O 1 80 GLU N 3.000 . 3.000 2.876 2.744 2.979 . 0 0 "[ . 1 .]" 2
55 1 78 ASP O 1 82 VAL H 2.000 . 2.000 1.936 1.752 2.020 0.020 3 0 "[ . 1 .]" 2
56 1 78 ASP O 1 82 VAL N 3.000 . 3.000 2.912 2.727 3.004 0.004 3 0 "[ . 1 .]" 2
57 1 79 VAL O 1 83 ARG H 2.000 . 2.000 1.986 1.847 2.009 0.009 2 0 "[ . 1 .]" 2
58 1 79 VAL O 1 83 ARG N 3.000 . 3.000 2.879 2.741 2.930 . 0 0 "[ . 1 .]" 2
59 1 80 GLU O 1 84 ALA H 2.000 . 2.000 1.996 1.959 2.013 0.013 6 0 "[ . 1 .]" 2
60 1 80 GLU O 1 84 ALA N 3.000 . 3.000 2.943 2.898 2.978 . 0 0 "[ . 1 .]" 2
61 1 81 ARG O 1 85 ARG H 2.000 . 2.000 1.968 1.715 2.022 0.022 3 0 "[ . 1 .]" 2
62 1 81 ARG O 1 85 ARG N 3.000 . 3.000 2.918 2.666 2.987 . 0 0 "[ . 1 .]" 2
63 1 82 VAL O 1 86 LEU H 2.000 . 2.000 1.891 1.827 1.943 . 0 0 "[ . 1 .]" 2
64 1 82 VAL O 1 86 LEU N 3.000 . 3.000 2.833 2.783 2.879 . 0 0 "[ . 1 .]" 2
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