NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404795 |
1x4g   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x4g
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 2002
_Distance_constraint_stats_list.Viol_count 363
_Distance_constraint_stats_list.Viol_total 45.099
_Distance_constraint_stats_list.Viol_max 0.060
_Distance_constraint_stats_list.Viol_rms 0.0009
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0062
_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 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLN 0.107 0.060 1 0 "[ . 1 . 2]"
1 12 LEU 0.109 0.060 1 0 "[ . 1 . 2]"
1 13 ARG 0.002 0.001 14 0 "[ . 1 . 2]"
1 14 PHE 0.004 0.004 5 0 "[ . 1 . 2]"
1 15 GLU 0.006 0.002 14 0 "[ . 1 . 2]"
1 16 ASP 0.009 0.002 11 0 "[ . 1 . 2]"
1 17 VAL 0.016 0.004 6 0 "[ . 1 . 2]"
1 18 VAL 0.040 0.012 14 0 "[ . 1 . 2]"
1 19 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLN 0.016 0.006 14 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 PRO 0.012 0.012 14 0 "[ . 1 . 2]"
1 24 LYS 0.036 0.036 2 0 "[ . 1 . 2]"
1 25 ASN 0.126 0.017 14 0 "[ . 1 . 2]"
1 26 CYS 0.039 0.009 4 0 "[ . 1 . 2]"
1 27 THR 0.069 0.009 14 0 "[ . 1 . 2]"
1 28 VAL 0.030 0.009 4 0 "[ . 1 . 2]"
1 29 TYR 0.308 0.028 4 0 "[ . 1 . 2]"
1 30 CYS 0.019 0.005 20 0 "[ . 1 . 2]"
1 31 GLY 0.305 0.023 13 0 "[ . 1 . 2]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ILE 0.086 0.015 11 0 "[ . 1 . 2]"
1 34 ALA 0.021 0.007 5 0 "[ . 1 . 2]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 0.009 0.005 15 0 "[ . 1 . 2]"
1 38 THR 0.007 0.004 5 0 "[ . 1 . 2]"
1 39 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLN 0.002 0.002 12 0 "[ . 1 . 2]"
1 41 LEU 0.022 0.006 4 0 "[ . 1 . 2]"
1 42 MET 0.019 0.009 11 0 "[ . 1 . 2]"
1 43 ARG 0.007 0.005 4 0 "[ . 1 . 2]"
1 44 GLN 0.064 0.013 2 0 "[ . 1 . 2]"
1 45 THR 0.024 0.005 16 0 "[ . 1 . 2]"
1 46 PHE 0.038 0.011 16 0 "[ . 1 . 2]"
1 47 SER 0.018 0.007 7 0 "[ . 1 . 2]"
1 48 PRO 0.001 0.001 3 0 "[ . 1 . 2]"
1 49 PHE 0.036 0.011 16 0 "[ . 1 . 2]"
1 50 GLY 0.011 0.007 7 0 "[ . 1 . 2]"
1 51 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ILE 0.024 0.005 4 0 "[ . 1 . 2]"
1 53 MET 0.014 0.006 7 0 "[ . 1 . 2]"
1 54 GLU 0.006 0.006 7 0 "[ . 1 . 2]"
1 55 ILE 0.007 0.004 15 0 "[ . 1 . 2]"
1 56 ARG 0.011 0.003 14 0 "[ . 1 . 2]"
1 57 VAL 0.040 0.009 11 0 "[ . 1 . 2]"
1 58 PHE 0.001 0.001 1 0 "[ . 1 . 2]"
1 59 PRO 0.017 0.008 19 0 "[ . 1 . 2]"
1 60 GLU 0.090 0.055 11 0 "[ . 1 . 2]"
1 61 LYS 0.096 0.025 2 0 "[ . 1 . 2]"
1 62 GLY 0.022 0.021 2 0 "[ . 1 . 2]"
1 63 TYR 0.018 0.014 4 0 "[ . 1 . 2]"
1 64 SER 0.057 0.008 10 0 "[ . 1 . 2]"
1 65 PHE 0.047 0.009 4 0 "[ . 1 . 2]"
1 66 VAL 0.039 0.009 14 0 "[ . 1 . 2]"
1 67 ARG 0.020 0.004 14 0 "[ . 1 . 2]"
1 68 PHE 0.057 0.009 4 0 "[ . 1 . 2]"
1 69 SER 0.003 0.003 7 0 "[ . 1 . 2]"
1 70 THR 0.009 0.005 11 0 "[ . 1 . 2]"
1 71 HIS 0.018 0.012 14 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 SER 0.002 0.002 16 0 "[ . 1 . 2]"
1 74 ALA 0.026 0.007 14 0 "[ . 1 . 2]"
1 75 ALA 0.033 0.011 6 0 "[ . 1 . 2]"
1 76 HIS 0.006 0.004 5 0 "[ . 1 . 2]"
1 77 ALA 0.039 0.008 4 0 "[ . 1 . 2]"
1 78 ILE 0.075 0.014 9 0 "[ . 1 . 2]"
1 79 VAL 0.037 0.014 15 0 "[ . 1 . 2]"
1 80 SER 0.043 0.014 15 0 "[ . 1 . 2]"
1 81 VAL 0.012 0.006 11 0 "[ . 1 . 2]"
1 82 ASN 0.017 0.011 11 0 "[ . 1 . 2]"
1 83 GLY 0.009 0.003 3 0 "[ . 1 . 2]"
1 84 THR 0.002 0.001 10 0 "[ . 1 . 2]"
1 85 THR 0.225 0.037 20 0 "[ . 1 . 2]"
1 86 ILE 0.005 0.005 16 0 "[ . 1 . 2]"
1 87 GLU 0.007 0.003 4 0 "[ . 1 . 2]"
1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 HIS 0.067 0.015 11 0 "[ . 1 . 2]"
1 90 VAL 0.013 0.004 4 0 "[ . 1 . 2]"
1 91 VAL 0.006 0.004 4 0 "[ . 1 . 2]"
1 92 LYS 0.370 0.055 3 0 "[ . 1 . 2]"
1 93 CYS 0.085 0.015 9 0 "[ . 1 . 2]"
1 94 TYR 0.386 0.028 4 0 "[ . 1 . 2]"
1 95 TRP 0.152 0.017 14 0 "[ . 1 . 2]"
1 96 GLY 0.037 0.015 17 0 "[ . 1 . 2]"
1 97 LYS 0.015 0.015 17 0 "[ . 1 . 2]"
1 98 GLU 0.026 0.013 10 0 "[ . 1 . 2]"
1 105 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 55 ILE HA 1 67 ARG H . . 4.460 4.029 3.873 4.188 . 0 0 "[ . 1 . 2]" 1
2 1 67 ARG H 1 67 ARG HB2 . . 3.650 2.293 2.209 2.423 . 0 0 "[ . 1 . 2]" 1
3 1 67 ARG H 1 67 ARG HB3 . . 3.650 3.540 3.456 3.643 . 0 0 "[ . 1 . 2]" 1
4 1 52 ILE MG 1 67 ARG H . . 4.170 3.234 2.978 3.662 . 0 0 "[ . 1 . 2]" 1
5 1 66 VAL MG2 1 67 ARG H . . 4.240 4.173 4.056 4.242 0.002 7 0 "[ . 1 . 2]" 1
6 1 30 CYS H 1 65 PHE HA . . 4.350 3.482 3.220 3.610 . 0 0 "[ . 1 . 2]" 1
7 1 29 TYR HA 1 30 CYS H . . 3.120 2.145 2.138 2.164 . 0 0 "[ . 1 . 2]" 1
8 1 30 CYS H 1 30 CYS HB3 . . 3.760 2.862 2.531 3.108 . 0 0 "[ . 1 . 2]" 1
9 1 30 CYS H 1 30 CYS HB2 . . 3.760 2.580 2.447 2.971 . 0 0 "[ . 1 . 2]" 1
10 1 86 ILE H 1 90 VAL HA . . 3.970 3.615 3.461 3.780 . 0 0 "[ . 1 . 2]" 1
11 1 85 THR HB 1 86 ILE H . . 4.490 4.270 4.149 4.396 . 0 0 "[ . 1 . 2]" 1
12 1 86 ILE H 1 86 ILE HG12 . . 4.420 3.980 3.614 4.209 . 0 0 "[ . 1 . 2]" 1
13 1 85 THR MG 1 86 ILE H . . 3.390 3.043 2.685 3.334 . 0 0 "[ . 1 . 2]" 1
14 1 86 ILE H 1 91 VAL MG1 . . 3.470 2.642 2.339 2.874 . 0 0 "[ . 1 . 2]" 1
15 1 86 ILE H 1 86 ILE MD . . 4.190 3.887 3.602 4.191 0.001 9 0 "[ . 1 . 2]" 1
16 1 51 GLN HB3 1 52 ILE H . . 4.420 3.578 3.043 3.997 . 0 0 "[ . 1 . 2]" 1
17 1 52 ILE H 1 53 MET ME . . 5.020 4.490 3.635 5.023 0.003 7 0 "[ . 1 . 2]" 1
18 1 51 GLN HA 1 52 ILE H . . 2.830 2.217 2.151 2.270 . 0 0 "[ . 1 . 2]" 1
19 1 51 GLN HG2 1 52 ILE H . . 4.120 3.238 2.576 3.963 . 0 0 "[ . 1 . 2]" 1
20 1 51 GLN HG3 1 52 ILE H . . 4.120 3.083 2.084 4.080 . 0 0 "[ . 1 . 2]" 1
21 1 51 GLN HB2 1 52 ILE H . . 4.420 4.253 4.077 4.398 . 0 0 "[ . 1 . 2]" 1
22 1 52 ILE H 1 52 ILE HB . . 3.140 2.697 2.561 2.774 . 0 0 "[ . 1 . 2]" 1
23 1 52 ILE H 1 52 ILE HG13 . . 3.400 2.555 2.231 2.790 . 0 0 "[ . 1 . 2]" 1
24 1 52 ILE H 1 52 ILE MD . . 4.320 3.615 3.412 3.913 . 0 0 "[ . 1 . 2]" 1
25 1 18 VAL HA 1 95 TRP HE1 . . 4.480 4.292 3.683 4.488 0.008 11 0 "[ . 1 . 2]" 1
26 1 20 GLN HB3 1 95 TRP HE1 . . 4.100 3.798 3.256 4.071 . 0 0 "[ . 1 . 2]" 1
27 1 17 VAL MG2 1 95 TRP HE1 . . 4.000 3.772 3.420 3.932 . 0 0 "[ . 1 . 2]" 1
28 1 78 ILE MD 1 95 TRP HE1 . . 4.480 3.498 3.121 3.754 . 0 0 "[ . 1 . 2]" 1
29 1 20 GLN H 1 95 TRP HE1 . . 4.070 3.892 3.476 4.076 0.006 14 0 "[ . 1 . 2]" 1
30 1 17 VAL HA 1 95 TRP HE1 . . 4.000 2.696 2.170 2.979 . 0 0 "[ . 1 . 2]" 1
31 1 17 VAL MG1 1 95 TRP HE1 . . 4.000 1.898 1.696 2.093 . 0 0 "[ . 1 . 2]" 1
32 1 55 ILE HA 1 56 ARG H . . 3.090 2.165 2.143 2.195 . 0 0 "[ . 1 . 2]" 1
33 1 56 ARG H 1 66 VAL HA . . 4.560 3.994 3.868 4.208 . 0 0 "[ . 1 . 2]" 1
34 1 56 ARG H 1 65 PHE QB . . 4.510 2.944 2.782 3.153 . 0 0 "[ . 1 . 2]" 1
35 1 56 ARG H 1 56 ARG QB . . 3.540 2.509 2.437 2.584 . 0 0 "[ . 1 . 2]" 1
36 1 55 ILE HB 1 56 ARG H . . 4.570 4.153 3.958 4.260 . 0 0 "[ . 1 . 2]" 1
37 1 55 ILE MG 1 56 ARG H . . 3.560 2.328 2.022 2.694 . 0 0 "[ . 1 . 2]" 1
38 1 28 VAL H 1 29 TYR H . . 4.620 4.061 4.002 4.125 . 0 0 "[ . 1 . 2]" 1
39 1 28 VAL H 1 68 PHE H . . 5.130 4.540 4.360 4.837 . 0 0 "[ . 1 . 2]" 1
40 1 68 PHE H 1 68 PHE QD . . 3.640 2.517 2.237 2.958 . 0 0 "[ . 1 . 2]" 1
41 1 67 ARG HA 1 68 PHE H . . 3.110 2.157 2.140 2.193 . 0 0 "[ . 1 . 2]" 1
42 1 27 THR HA 1 68 PHE H . . 3.430 3.313 3.089 3.434 0.004 20 0 "[ . 1 . 2]" 1
43 1 68 PHE H 1 68 PHE HB2 . . 4.150 2.374 2.253 2.441 . 0 0 "[ . 1 . 2]" 1
44 1 26 CYS HB2 1 68 PHE H . . 4.430 3.249 2.856 3.546 . 0 0 "[ . 1 . 2]" 1
45 1 68 PHE H 1 68 PHE HB3 . . 4.150 3.613 3.526 3.659 . 0 0 "[ . 1 . 2]" 1
46 1 68 PHE H 1 74 ALA MB . . 3.640 3.497 3.227 3.639 . 0 0 "[ . 1 . 2]" 1
47 1 29 TYR H 1 29 TYR HB3 . . 3.870 2.414 2.303 2.475 . 0 0 "[ . 1 . 2]" 1
48 1 28 VAL HB 1 29 TYR H . . 4.590 4.415 4.356 4.467 . 0 0 "[ . 1 . 2]" 1
49 1 28 VAL MG2 1 68 PHE H . . 4.790 3.804 3.463 4.059 . 0 0 "[ . 1 . 2]" 1
50 1 34 ALA H 1 37 LEU H . . 5.500 4.711 4.262 5.039 . 0 0 "[ . 1 . 2]" 1
51 1 34 ALA H 1 89 HIS HB2 . . 4.930 4.653 4.438 4.925 . 0 0 "[ . 1 . 2]" 1
52 1 34 ALA H 1 34 ALA MB . . 3.110 2.585 2.458 2.680 . 0 0 "[ . 1 . 2]" 1
53 1 33 ILE HA 1 34 ALA H . . 3.050 2.245 2.193 2.278 . 0 0 "[ . 1 . 2]" 1
54 1 34 ALA H 1 89 HIS HB3 . . 4.640 4.382 4.155 4.609 . 0 0 "[ . 1 . 2]" 1
55 1 33 ILE HG12 1 34 ALA H . . 4.600 4.541 4.428 4.606 0.006 5 0 "[ . 1 . 2]" 1
56 1 33 ILE MG 1 34 ALA H . . 4.180 1.990 1.896 2.156 . 0 0 "[ . 1 . 2]" 1
57 1 52 ILE HB 1 53 MET H . . 4.570 3.906 3.579 4.176 . 0 0 "[ . 1 . 2]" 1
58 1 53 MET H 1 53 MET HB2 . . 4.130 2.509 2.286 2.804 . 0 0 "[ . 1 . 2]" 1
59 1 53 MET H 1 53 MET HB3 . . 4.130 3.643 3.558 3.730 . 0 0 "[ . 1 . 2]" 1
60 1 28 VAL H 1 66 VAL H . . 3.640 2.935 2.830 2.995 . 0 0 "[ . 1 . 2]" 1
61 1 27 THR HA 1 28 VAL H . . 2.890 2.296 2.250 2.340 . 0 0 "[ . 1 . 2]" 1
62 1 28 VAL H 1 28 VAL HB . . 3.500 2.673 2.606 2.768 . 0 0 "[ . 1 . 2]" 1
63 1 28 VAL H 1 66 VAL HB . . 3.960 3.773 3.654 3.919 . 0 0 "[ . 1 . 2]" 1
64 1 27 THR MG 1 28 VAL H . . 3.460 2.058 1.886 2.216 . 0 0 "[ . 1 . 2]" 1
65 1 28 VAL H 1 28 VAL MG1 . . 4.000 3.840 3.782 3.894 . 0 0 "[ . 1 . 2]" 1
66 1 28 VAL H 1 67 ARG HA . . 3.330 3.182 2.942 3.318 . 0 0 "[ . 1 . 2]" 1
67 1 28 VAL H 1 28 VAL MG2 . . 3.520 2.993 2.874 3.186 . 0 0 "[ . 1 . 2]" 1
68 1 54 GLU HG3 1 55 ILE H . . 4.040 2.802 2.088 3.839 . 0 0 "[ . 1 . 2]" 1
69 1 54 GLU HB3 1 55 ILE H . . 4.440 3.657 3.316 4.103 . 0 0 "[ . 1 . 2]" 1
70 1 55 ILE H 1 55 ILE HB . . 3.510 2.719 2.653 2.780 . 0 0 "[ . 1 . 2]" 1
71 1 55 ILE H 1 55 ILE HG12 . . 4.350 4.002 3.713 4.186 . 0 0 "[ . 1 . 2]" 1
72 1 54 GLU HA 1 55 ILE H . . 3.020 2.250 2.197 2.333 . 0 0 "[ . 1 . 2]" 1
73 1 54 GLU HG2 1 55 ILE H . . 4.040 2.842 2.107 3.716 . 0 0 "[ . 1 . 2]" 1
74 1 54 GLU HB2 1 55 ILE H . . 4.440 4.157 3.902 4.313 . 0 0 "[ . 1 . 2]" 1
75 1 55 ILE H 1 55 ILE HG13 . . 3.890 3.085 2.752 3.315 . 0 0 "[ . 1 . 2]" 1
76 1 87 GLU H 1 87 GLU HG2 . . 4.250 2.651 2.389 2.767 . 0 0 "[ . 1 . 2]" 1
77 1 85 THR MG 1 87 GLU H . . 4.430 4.244 3.998 4.418 . 0 0 "[ . 1 . 2]" 1
78 1 89 HIS HB3 1 90 VAL H . . 3.940 3.408 3.186 3.505 . 0 0 "[ . 1 . 2]" 1
79 1 90 VAL H 1 90 VAL HB . . 3.160 2.664 2.466 2.863 . 0 0 "[ . 1 . 2]" 1
80 1 11 GLN HA 1 12 LEU H . . 2.820 2.478 2.270 2.740 . 0 0 "[ . 1 . 2]" 1
81 1 11 GLN QG 1 12 LEU H . . 4.440 2.900 1.899 4.028 . 0 0 "[ . 1 . 2]" 1
82 1 11 GLN HB2 1 12 LEU H . . 4.030 3.359 1.933 4.030 . 0 0 "[ . 1 . 2]" 1
83 1 11 GLN HB3 1 12 LEU H . . 4.030 3.027 2.262 3.957 . 0 0 "[ . 1 . 2]" 1
84 1 12 LEU H 1 12 LEU HB2 . . 2.920 2.468 2.220 2.599 . 0 0 "[ . 1 . 2]" 1
85 1 12 LEU H 1 12 LEU HB3 . . 3.850 3.624 3.413 3.743 . 0 0 "[ . 1 . 2]" 1
86 1 12 LEU H 1 79 VAL MG1 . . 4.180 4.002 3.704 4.175 . 0 0 "[ . 1 . 2]" 1
87 1 12 LEU H 1 12 LEU MD1 . . 4.740 3.838 3.445 4.236 . 0 0 "[ . 1 . 2]" 1
88 1 65 PHE QD 1 66 VAL H . . 4.400 3.062 2.454 3.459 . 0 0 "[ . 1 . 2]" 1
89 1 65 PHE HA 1 66 VAL H . . 2.970 2.190 2.143 2.289 . 0 0 "[ . 1 . 2]" 1
90 1 28 VAL MG2 1 66 VAL H . . 4.840 4.754 4.611 4.845 0.005 8 0 "[ . 1 . 2]" 1
91 1 66 VAL H 1 66 VAL MG2 . . 3.760 2.971 2.783 3.226 . 0 0 "[ . 1 . 2]" 1
92 1 65 PHE QB 1 66 VAL H . . 3.670 3.100 2.741 3.296 . 0 0 "[ . 1 . 2]" 1
93 1 28 VAL HB 1 66 VAL H . . 4.220 3.487 3.277 3.725 . 0 0 "[ . 1 . 2]" 1
94 1 66 VAL H 1 66 VAL HB . . 3.370 2.864 2.721 3.025 . 0 0 "[ . 1 . 2]" 1
95 1 27 THR MG 1 66 VAL H . . 3.460 3.140 2.914 3.301 . 0 0 "[ . 1 . 2]" 1
96 1 85 THR HA 1 91 VAL H . . 3.840 3.016 2.651 3.358 . 0 0 "[ . 1 . 2]" 1
97 1 91 VAL H 1 91 VAL HB . . 3.890 3.676 3.638 3.785 . 0 0 "[ . 1 . 2]" 1
98 1 30 CYS HA 1 92 LYS H . . 4.190 3.578 3.351 3.900 . 0 0 "[ . 1 . 2]" 1
99 1 91 VAL HA 1 92 LYS H . . 2.820 2.282 2.238 2.395 . 0 0 "[ . 1 . 2]" 1
100 1 92 LYS H 1 92 LYS HB3 . . 3.860 3.346 2.977 3.581 . 0 0 "[ . 1 . 2]" 1
101 1 91 VAL MG1 1 92 LYS H . . 4.030 3.799 3.693 3.952 . 0 0 "[ . 1 . 2]" 1
102 1 42 MET H 1 43 ARG H . . 3.420 2.728 2.646 2.926 . 0 0 "[ . 1 . 2]" 1
103 1 39 ASP HA 1 43 ARG H . . 4.250 3.884 3.657 4.145 . 0 0 "[ . 1 . 2]" 1
104 1 42 MET HB2 1 43 ARG H . . 3.660 2.655 2.463 2.843 . 0 0 "[ . 1 . 2]" 1
105 1 42 MET HG2 1 43 ARG H . . 4.610 4.406 4.254 4.510 . 0 0 "[ . 1 . 2]" 1
106 1 43 ARG H 1 43 ARG QB . . 2.950 2.212 2.125 2.250 . 0 0 "[ . 1 . 2]" 1
107 1 42 MET HB3 1 43 ARG H . . 3.800 3.585 3.371 3.728 . 0 0 "[ . 1 . 2]" 1
108 1 43 ARG H 1 43 ARG QG . . 4.110 3.928 3.781 3.981 . 0 0 "[ . 1 . 2]" 1
109 1 43 ARG H 1 55 ILE MD . . 3.600 2.879 2.708 3.162 . 0 0 "[ . 1 . 2]" 1
110 1 76 HIS HB2 1 77 ALA H . . 3.900 2.711 2.312 2.974 . 0 0 "[ . 1 . 2]" 1
111 1 76 HIS HB3 1 77 ALA H . . 3.900 3.357 3.133 3.578 . 0 0 "[ . 1 . 2]" 1
112 1 77 ALA H 1 77 ALA MB . . 3.020 2.124 2.024 2.280 . 0 0 "[ . 1 . 2]" 1
113 1 70 THR HA 1 71 HIS H . . 3.310 2.337 2.146 2.479 . 0 0 "[ . 1 . 2]" 1
114 1 71 HIS H 1 71 HIS HB2 . . 3.630 2.427 2.260 2.608 . 0 0 "[ . 1 . 2]" 1
115 1 71 HIS H 1 71 HIS HB3 . . 3.630 2.734 2.582 2.902 . 0 0 "[ . 1 . 2]" 1
116 1 38 THR HA 1 39 ASP H . . 3.100 2.196 2.158 2.245 . 0 0 "[ . 1 . 2]" 1
117 1 39 ASP H 1 39 ASP QB . . 3.460 2.165 2.056 2.271 . 0 0 "[ . 1 . 2]" 1
118 1 38 THR MG 1 39 ASP H . . 4.490 3.705 3.556 3.906 . 0 0 "[ . 1 . 2]" 1
119 1 39 ASP H 1 57 VAL MG2 . . 4.250 2.670 2.373 3.016 . 0 0 "[ . 1 . 2]" 1
120 1 39 ASP H 1 57 VAL MG1 . . 4.460 2.571 2.310 2.797 . 0 0 "[ . 1 . 2]" 1
121 1 86 ILE H 1 89 HIS H . . 3.690 3.107 2.848 3.356 . 0 0 "[ . 1 . 2]" 1
122 1 89 HIS H 1 89 HIS HD2 . . 3.910 3.415 2.929 3.773 . 0 0 "[ . 1 . 2]" 1
123 1 85 THR HA 1 89 HIS H . . 4.560 4.017 3.770 4.257 . 0 0 "[ . 1 . 2]" 1
124 1 89 HIS H 1 89 HIS HB3 . . 3.810 3.771 3.736 3.804 . 0 0 "[ . 1 . 2]" 1
125 1 89 HIS H 1 89 HIS HB2 . . 3.290 2.629 2.565 2.699 . 0 0 "[ . 1 . 2]" 1
126 1 85 THR MG 1 89 HIS H . . 3.640 2.517 2.093 2.729 . 0 0 "[ . 1 . 2]" 1
127 1 86 ILE MG 1 89 HIS H . . 5.000 4.397 4.095 4.546 . 0 0 "[ . 1 . 2]" 1
128 1 89 HIS H 1 91 VAL MG1 . . 5.410 4.631 4.420 4.781 . 0 0 "[ . 1 . 2]" 1
129 1 86 ILE HA 1 89 HIS H . . 4.400 4.227 4.167 4.291 . 0 0 "[ . 1 . 2]" 1
130 1 96 GLY HA2 1 97 LYS H . . 3.550 2.689 2.137 3.565 0.015 17 0 "[ . 1 . 2]" 1
131 1 71 HIS HA 1 74 ALA H . . 4.590 3.794 3.477 4.055 . 0 0 "[ . 1 . 2]" 1
132 1 73 SER HB2 1 74 ALA H . . 4.100 2.848 2.155 3.708 . 0 0 "[ . 1 . 2]" 1
133 1 73 SER HB3 1 74 ALA H . . 4.100 3.316 2.232 3.988 . 0 0 "[ . 1 . 2]" 1
134 1 74 ALA H 1 75 ALA MB . . 4.520 4.423 4.257 4.525 0.005 16 0 "[ . 1 . 2]" 1
135 1 38 THR H 1 41 LEU H . . 4.430 3.720 3.498 3.859 . 0 0 "[ . 1 . 2]" 1
136 1 38 THR HB 1 41 LEU H . . 4.330 3.284 3.063 3.548 . 0 0 "[ . 1 . 2]" 1
137 1 40 GLN QG 1 41 LEU H . . 4.360 3.791 3.398 4.055 . 0 0 "[ . 1 . 2]" 1
138 1 40 GLN HB2 1 41 LEU H . . 4.140 3.891 3.741 4.087 . 0 0 "[ . 1 . 2]" 1
139 1 41 LEU H 1 41 LEU HB2 . . 3.130 2.479 2.305 2.581 . 0 0 "[ . 1 . 2]" 1
140 1 41 LEU H 1 41 LEU HB3 . . 3.130 2.542 2.436 2.719 . 0 0 "[ . 1 . 2]" 1
141 1 41 LEU H 1 41 LEU MD1 . . 4.670 4.054 3.959 4.216 . 0 0 "[ . 1 . 2]" 1
142 1 38 THR HG1 1 41 LEU H . . 3.880 2.290 1.899 2.869 . 0 0 "[ . 1 . 2]" 1
143 1 38 THR MG 1 41 LEU H . . 4.660 4.396 4.314 4.603 . 0 0 "[ . 1 . 2]" 1
144 1 96 GLY HA3 1 97 LYS H . . 3.550 2.894 2.139 3.464 . 0 0 "[ . 1 . 2]" 1
145 1 97 LYS H 1 97 LYS QB . . 3.430 2.710 2.076 3.111 . 0 0 "[ . 1 . 2]" 1
146 1 97 LYS H 1 97 LYS QG . . 4.370 3.863 2.192 4.283 . 0 0 "[ . 1 . 2]" 1
147 1 68 PHE QD 1 74 ALA H . . 4.380 3.853 3.434 4.157 . 0 0 "[ . 1 . 2]" 1
148 1 83 GLY H 1 93 CYS H . . 4.120 3.886 3.521 4.067 . 0 0 "[ . 1 . 2]" 1
149 1 92 LYS HA 1 93 CYS H . . 2.850 2.145 2.143 2.151 . 0 0 "[ . 1 . 2]" 1
150 1 82 ASN HA 1 93 CYS H . . 3.530 2.386 2.007 2.597 . 0 0 "[ . 1 . 2]" 1
151 1 82 ASN HB2 1 93 CYS H . . 4.010 3.472 2.949 3.661 . 0 0 "[ . 1 . 2]" 1
152 1 93 CYS H 1 93 CYS QB . . 3.550 2.221 2.184 2.318 . 0 0 "[ . 1 . 2]" 1
153 1 33 ILE H 1 91 VAL MG1 . . 3.690 3.082 2.603 3.515 . 0 0 "[ . 1 . 2]" 1
154 1 33 ILE H 1 33 ILE MG . . 3.800 3.761 3.750 3.769 . 0 0 "[ . 1 . 2]" 1
155 1 33 ILE H 1 34 ALA H . . 4.900 4.625 4.601 4.638 . 0 0 "[ . 1 . 2]" 1
156 1 31 GLY HA2 1 33 ILE H . . 4.170 4.103 3.980 4.172 0.002 11 0 "[ . 1 . 2]" 1
157 1 33 ILE H 1 33 ILE HB . . 3.240 2.652 2.605 2.717 . 0 0 "[ . 1 . 2]" 1
158 1 33 ILE H 1 33 ILE HG13 . . 3.440 2.008 1.914 2.157 . 0 0 "[ . 1 . 2]" 1
159 1 33 ILE H 1 33 ILE MD . . 3.540 2.717 2.442 2.895 . 0 0 "[ . 1 . 2]" 1
160 1 58 PHE H 1 63 TYR H . . 4.310 3.623 3.492 3.785 . 0 0 "[ . 1 . 2]" 1
161 1 58 PHE H 1 58 PHE QD . . 3.790 2.922 2.718 3.212 . 0 0 "[ . 1 . 2]" 1
162 1 58 PHE H 1 64 SER HA . . 3.990 2.820 2.663 2.957 . 0 0 "[ . 1 . 2]" 1
163 1 57 VAL HA 1 58 PHE H . . 3.120 2.162 2.141 2.181 . 0 0 "[ . 1 . 2]" 1
164 1 58 PHE H 1 58 PHE HB2 . . 4.130 2.497 2.405 2.617 . 0 0 "[ . 1 . 2]" 1
165 1 58 PHE H 1 58 PHE HB3 . . 4.130 3.679 3.627 3.766 . 0 0 "[ . 1 . 2]" 1
166 1 57 VAL HB 1 58 PHE H . . 3.610 3.204 3.083 3.399 . 0 0 "[ . 1 . 2]" 1
167 1 37 LEU MD1 1 58 PHE H . . 3.460 1.881 1.798 2.118 . 0 0 "[ . 1 . 2]" 1
168 1 57 VAL H 1 58 PHE H . . 5.180 4.488 4.425 4.520 . 0 0 "[ . 1 . 2]" 1
169 1 58 PHE H 1 64 SER H . . 5.500 4.716 4.640 4.799 . 0 0 "[ . 1 . 2]" 1
170 1 58 PHE H 1 65 PHE H . . 5.500 4.870 4.679 4.980 . 0 0 "[ . 1 . 2]" 1
171 1 58 PHE H 1 64 SER HB2 . . 4.250 3.250 3.018 3.460 . 0 0 "[ . 1 . 2]" 1
172 1 94 TYR QD 1 95 TRP H . . 3.990 3.789 3.628 3.986 . 0 0 "[ . 1 . 2]" 1
173 1 94 TYR HA 1 95 TRP H . . 3.390 2.603 2.558 2.629 . 0 0 "[ . 1 . 2]" 1
174 1 94 TYR QB 1 95 TRP H . . 3.170 2.030 1.988 2.100 . 0 0 "[ . 1 . 2]" 1
175 1 78 ILE MG 1 95 TRP H . . 4.840 4.726 4.482 4.838 . 0 0 "[ . 1 . 2]" 1
176 1 26 CYS H 1 27 THR H . . 4.210 4.091 4.022 4.143 . 0 0 "[ . 1 . 2]" 1
177 1 27 THR H 1 95 TRP HE3 . . 4.660 2.039 1.914 2.153 . 0 0 "[ . 1 . 2]" 1
178 1 27 THR H 1 95 TRP HZ3 . . 4.440 2.398 1.962 2.786 . 0 0 "[ . 1 . 2]" 1
179 1 27 THR H 1 95 TRP HA . . 4.150 4.005 3.871 4.098 . 0 0 "[ . 1 . 2]" 1
180 1 27 THR H 1 27 THR HB . . 3.360 2.869 2.741 2.981 . 0 0 "[ . 1 . 2]" 1
181 1 27 THR H 1 74 ALA MB . . 4.450 4.014 3.785 4.234 . 0 0 "[ . 1 . 2]" 1
182 1 27 THR H 1 27 THR MG . . 4.400 3.942 3.896 3.954 . 0 0 "[ . 1 . 2]" 1
183 1 17 VAL H 1 18 VAL H . . 3.380 2.595 2.385 2.853 . 0 0 "[ . 1 . 2]" 1
184 1 16 ASP H 1 17 VAL H . . 3.080 2.386 2.198 2.527 . 0 0 "[ . 1 . 2]" 1
185 1 14 PHE HA 1 17 VAL H . . 3.960 3.304 3.143 3.476 . 0 0 "[ . 1 . 2]" 1
186 1 17 VAL H 1 17 VAL HB . . 3.080 2.465 2.353 2.565 . 0 0 "[ . 1 . 2]" 1
187 1 17 VAL H 1 17 VAL MG1 . . 3.800 3.752 3.714 3.774 . 0 0 "[ . 1 . 2]" 1
188 1 17 VAL H 1 17 VAL MG2 . . 3.800 2.362 2.101 2.696 . 0 0 "[ . 1 . 2]" 1
189 1 95 TRP H 1 95 TRP HD1 . . 3.850 3.614 3.475 3.752 . 0 0 "[ . 1 . 2]" 1
190 1 95 TRP H 1 95 TRP HB2 . . 3.420 2.290 2.255 2.333 . 0 0 "[ . 1 . 2]" 1
191 1 78 ILE MD 1 95 TRP H . . 4.210 4.084 3.927 4.217 0.007 17 0 "[ . 1 . 2]" 1
192 1 51 GLN H 1 68 PHE QD . . 4.270 3.126 2.509 3.712 . 0 0 "[ . 1 . 2]" 1
193 1 51 GLN H 1 68 PHE QE . . 4.870 3.892 3.242 4.477 . 0 0 "[ . 1 . 2]" 1
194 1 12 LEU HA 1 13 ARG H . . 2.950 2.202 2.139 2.319 . 0 0 "[ . 1 . 2]" 1
195 1 13 ARG H 1 16 ASP HB2 . . 4.450 3.582 2.684 4.409 . 0 0 "[ . 1 . 2]" 1
196 1 13 ARG H 1 13 ARG HB3 . . 3.870 3.461 3.402 3.576 . 0 0 "[ . 1 . 2]" 1
197 1 13 ARG H 1 13 ARG HB2 . . 3.870 2.164 2.102 2.376 . 0 0 "[ . 1 . 2]" 1
198 1 12 LEU HB3 1 13 ARG H . . 3.800 3.118 2.633 3.519 . 0 0 "[ . 1 . 2]" 1
199 1 56 ARG QB 1 65 PHE H . . 3.290 3.086 2.886 3.251 . 0 0 "[ . 1 . 2]" 1
200 1 65 PHE H 1 65 PHE QD . . 3.950 3.874 3.657 3.953 0.003 12 0 "[ . 1 . 2]" 1
201 1 64 SER HA 1 65 PHE H . . 3.130 2.432 2.262 2.529 . 0 0 "[ . 1 . 2]" 1
202 1 64 SER HB3 1 65 PHE H . . 3.770 3.561 3.199 3.772 0.002 19 0 "[ . 1 . 2]" 1
203 1 64 SER HG 1 65 PHE H . . 3.360 2.320 1.915 3.138 . 0 0 "[ . 1 . 2]" 1
204 1 65 PHE H 1 65 PHE QB . . 3.260 2.471 2.314 2.556 . 0 0 "[ . 1 . 2]" 1
205 1 36 GLY H 1 37 LEU H . . 3.880 2.376 2.111 2.893 . 0 0 "[ . 1 . 2]" 1
206 1 37 LEU H 1 38 THR H . . 4.930 4.289 4.191 4.416 . 0 0 "[ . 1 . 2]" 1
207 1 35 SER HA 1 37 LEU H . . 4.220 4.133 3.894 4.219 . 0 0 "[ . 1 . 2]" 1
208 1 37 LEU H 1 59 PRO HB3 . . 4.820 3.698 3.400 3.962 . 0 0 "[ . 1 . 2]" 1
209 1 37 LEU H 1 37 LEU HB2 . . 3.180 2.346 2.189 2.447 . 0 0 "[ . 1 . 2]" 1
210 1 33 ILE HB 1 37 LEU H . . 4.890 4.681 4.426 4.829 . 0 0 "[ . 1 . 2]" 1
211 1 37 LEU H 1 37 LEU HB3 . . 3.270 2.979 2.905 3.174 . 0 0 "[ . 1 . 2]" 1
212 1 37 LEU H 1 38 THR MG . . 3.960 3.835 3.578 3.961 0.001 12 0 "[ . 1 . 2]" 1
213 1 25 ASN H 1 25 ASN HB3 . . 3.390 2.280 2.188 2.494 . 0 0 "[ . 1 . 2]" 1
214 1 24 LYS HB2 1 25 ASN H . . 4.420 3.080 2.393 4.052 . 0 0 "[ . 1 . 2]" 1
215 1 24 LYS HB3 1 25 ASN H . . 4.420 3.477 2.476 4.396 . 0 0 "[ . 1 . 2]" 1
216 1 44 GLN H 1 46 PHE H . . 4.630 4.163 3.904 4.400 . 0 0 "[ . 1 . 2]" 1
217 1 44 GLN H 1 45 THR H . . 3.490 2.506 2.246 2.632 . 0 0 "[ . 1 . 2]" 1
218 1 44 GLN H 1 47 SER QB . . 4.640 4.222 4.095 4.463 . 0 0 "[ . 1 . 2]" 1
219 1 40 GLN HA 1 44 GLN H . . 3.970 3.821 3.722 3.962 . 0 0 "[ . 1 . 2]" 1
220 1 40 GLN QG 1 44 GLN H . . 4.510 4.076 3.910 4.494 . 0 0 "[ . 1 . 2]" 1
221 1 44 GLN H 1 44 GLN HB2 . . 3.160 2.278 2.169 2.365 . 0 0 "[ . 1 . 2]" 1
222 1 44 GLN H 1 44 GLN HB3 . . 3.240 2.855 2.719 2.987 . 0 0 "[ . 1 . 2]" 1
223 1 43 ARG QB 1 44 GLN H . . 3.190 2.521 2.373 2.793 . 0 0 "[ . 1 . 2]" 1
224 1 17 VAL HB 1 18 VAL H . . 4.060 2.733 2.377 2.972 . 0 0 "[ . 1 . 2]" 1
225 1 56 ARG QB 1 57 VAL H . . 4.460 3.749 3.640 3.807 . 0 0 "[ . 1 . 2]" 1
226 1 56 ARG QG 1 57 VAL H . . 4.300 4.234 3.997 4.297 . 0 0 "[ . 1 . 2]" 1
227 1 18 VAL H 1 18 VAL HB . . 3.700 3.200 2.475 3.655 . 0 0 "[ . 1 . 2]" 1
228 1 57 VAL H 1 57 VAL MG2 . . 3.120 2.146 2.107 2.215 . 0 0 "[ . 1 . 2]" 1
229 1 18 VAL H 1 18 VAL MG2 . . 3.870 2.657 1.879 3.802 . 0 0 "[ . 1 . 2]" 1
230 1 57 VAL H 1 57 VAL MG1 . . 3.580 2.310 2.189 2.446 . 0 0 "[ . 1 . 2]" 1
231 1 18 VAL H 1 19 ASN H . . 3.680 3.079 2.583 3.506 . 0 0 "[ . 1 . 2]" 1
232 1 18 VAL H 1 75 ALA MB . . 3.760 3.457 3.196 3.645 . 0 0 "[ . 1 . 2]" 1
233 1 17 VAL MG2 1 18 VAL H . . 4.260 3.931 3.731 4.070 . 0 0 "[ . 1 . 2]" 1
234 1 93 CYS H 1 94 TYR H . . 4.760 4.381 4.315 4.426 . 0 0 "[ . 1 . 2]" 1
235 1 29 TYR H 1 94 TYR H . . 3.880 2.565 2.513 2.645 . 0 0 "[ . 1 . 2]" 1
236 1 94 TYR H 1 94 TYR QD . . 4.610 3.675 3.568 3.742 . 0 0 "[ . 1 . 2]" 1
237 1 29 TYR QD 1 94 TYR H . . 4.160 3.326 2.751 3.643 . 0 0 "[ . 1 . 2]" 1
238 1 93 CYS HA 1 94 TYR H . . 3.040 2.139 2.138 2.142 . 0 0 "[ . 1 . 2]" 1
239 1 93 CYS QB 1 94 TYR H . . 3.790 3.567 3.472 3.648 . 0 0 "[ . 1 . 2]" 1
240 1 29 TYR HB3 1 94 TYR H . . 4.000 2.717 2.591 2.796 . 0 0 "[ . 1 . 2]" 1
241 1 93 CYS HG 1 94 TYR H . . 4.640 4.229 3.896 4.498 . 0 0 "[ . 1 . 2]" 1
242 1 28 VAL MG1 1 94 TYR H . . 4.200 3.401 3.202 3.501 . 0 0 "[ . 1 . 2]" 1
243 1 39 ASP H 1 40 GLN H . . 3.870 2.891 2.746 3.043 . 0 0 "[ . 1 . 2]" 1
244 1 38 THR HG1 1 40 GLN H . . 4.190 3.756 3.302 4.190 . 0 0 "[ . 1 . 2]" 1
245 1 38 THR HB 1 40 GLN H . . 3.410 2.719 2.501 2.941 . 0 0 "[ . 1 . 2]" 1
246 1 39 ASP QB 1 40 GLN H . . 3.470 2.779 2.392 3.468 . 0 0 "[ . 1 . 2]" 1
247 1 40 GLN H 1 40 GLN QG . . 4.210 3.987 3.952 4.041 . 0 0 "[ . 1 . 2]" 1
248 1 40 GLN H 1 40 GLN HB2 . . 3.430 2.468 2.349 2.655 . 0 0 "[ . 1 . 2]" 1
249 1 40 GLN H 1 40 GLN HB3 . . 3.430 2.589 2.403 2.718 . 0 0 "[ . 1 . 2]" 1
250 1 38 THR MG 1 40 GLN H . . 4.840 4.309 4.151 4.525 . 0 0 "[ . 1 . 2]" 1
251 1 71 HIS HD2 1 72 GLU H . . 5.090 4.701 4.233 5.022 . 0 0 "[ . 1 . 2]" 1
252 1 70 THR HA 1 72 GLU H . . 4.500 4.128 3.609 4.416 . 0 0 "[ . 1 . 2]" 1
253 1 70 THR HB 1 72 GLU H . . 3.510 2.737 2.441 2.989 . 0 0 "[ . 1 . 2]" 1
254 1 71 HIS HB2 1 72 GLU H . . 4.000 3.822 3.657 3.977 . 0 0 "[ . 1 . 2]" 1
255 1 71 HIS HB3 1 72 GLU H . . 4.000 2.779 2.582 3.093 . 0 0 "[ . 1 . 2]" 1
256 1 72 GLU H 1 72 GLU HB2 . . 3.310 2.254 2.130 2.409 . 0 0 "[ . 1 . 2]" 1
257 1 72 GLU H 1 72 GLU HB3 . . 3.740 3.524 3.442 3.578 . 0 0 "[ . 1 . 2]" 1
258 1 70 THR MG 1 72 GLU H . . 4.560 4.308 3.944 4.476 . 0 0 "[ . 1 . 2]" 1
259 1 47 SER H 1 47 SER QB . . 3.310 2.165 2.069 2.228 . 0 0 "[ . 1 . 2]" 1
260 1 47 SER H 1 48 PRO HD3 . . 3.450 3.376 3.274 3.442 . 0 0 "[ . 1 . 2]" 1
261 1 46 PHE HB3 1 47 SER H . . 4.320 4.047 3.980 4.103 . 0 0 "[ . 1 . 2]" 1
262 1 46 PHE HB2 1 47 SER H . . 3.800 3.224 3.100 3.275 . 0 0 "[ . 1 . 2]" 1
263 1 47 SER H 1 48 PRO QG . . 4.390 4.232 4.156 4.295 . 0 0 "[ . 1 . 2]" 1
264 1 45 THR H 1 47 SER H . . 4.540 3.597 3.412 3.780 . 0 0 "[ . 1 . 2]" 1
265 1 81 VAL HB 1 82 ASN H . . 4.310 2.866 2.460 3.170 . 0 0 "[ . 1 . 2]" 1
266 1 82 ASN H 1 82 ASN HB2 . . 3.200 2.655 2.387 2.798 . 0 0 "[ . 1 . 2]" 1
267 1 82 ASN H 1 82 ASN HB3 . . 3.300 2.429 2.316 2.713 . 0 0 "[ . 1 . 2]" 1
268 1 82 ASN H 1 93 CYS QB . . 3.890 2.943 2.377 3.190 . 0 0 "[ . 1 . 2]" 1
269 1 81 VAL MG2 1 82 ASN H . . 4.590 3.956 3.799 4.070 . 0 0 "[ . 1 . 2]" 1
270 1 41 LEU H 1 42 MET H . . 3.570 2.850 2.600 3.041 . 0 0 "[ . 1 . 2]" 1
271 1 39 ASP HA 1 42 MET H . . 3.990 3.712 3.439 3.949 . 0 0 "[ . 1 . 2]" 1
272 1 42 MET H 1 42 MET HB2 . . 3.190 2.436 2.359 2.534 . 0 0 "[ . 1 . 2]" 1
273 1 42 MET H 1 42 MET HG2 . . 3.310 2.297 2.132 2.445 . 0 0 "[ . 1 . 2]" 1
274 1 41 LEU HB2 1 42 MET H . . 3.940 3.626 3.485 3.769 . 0 0 "[ . 1 . 2]" 1
275 1 41 LEU HB3 1 42 MET H . . 3.940 2.174 2.039 2.331 . 0 0 "[ . 1 . 2]" 1
276 1 41 LEU MD1 1 42 MET H . . 4.870 4.276 3.908 4.433 . 0 0 "[ . 1 . 2]" 1
277 1 41 LEU MD2 1 42 MET H . . 4.870 3.806 2.816 4.088 . 0 0 "[ . 1 . 2]" 1
278 1 33 ILE MD 1 42 MET H . . 5.000 4.901 4.638 4.984 . 0 0 "[ . 1 . 2]" 1
279 1 42 MET H 1 55 ILE MG . . 4.490 4.274 3.983 4.437 . 0 0 "[ . 1 . 2]" 1
280 1 42 MET H 1 44 GLN H . . 4.920 4.269 4.037 4.467 . 0 0 "[ . 1 . 2]" 1
281 1 53 MET H 1 54 GLU H . . 3.320 2.286 2.056 2.563 . 0 0 "[ . 1 . 2]" 1
282 1 54 GLU H 1 67 ARG H . . 3.950 3.135 2.957 3.328 . 0 0 "[ . 1 . 2]" 1
283 1 52 ILE HA 1 54 GLU H . . 4.500 4.209 3.973 4.470 . 0 0 "[ . 1 . 2]" 1
284 1 53 MET HG3 1 54 GLU H . . 5.130 4.817 4.558 5.052 . 0 0 "[ . 1 . 2]" 1
285 1 53 MET HB2 1 54 GLU H . . 3.810 2.518 2.133 2.789 . 0 0 "[ . 1 . 2]" 1
286 1 54 GLU H 1 67 ARG HB3 . . 4.320 4.230 4.036 4.319 . 0 0 "[ . 1 . 2]" 1
287 1 53 MET HB3 1 54 GLU H . . 3.810 3.526 3.056 3.816 0.006 7 0 "[ . 1 . 2]" 1
288 1 14 PHE QE 1 75 ALA H . . 5.090 4.467 3.748 5.067 . 0 0 "[ . 1 . 2]" 1
289 1 75 ALA H 1 95 TRP HZ2 . . 4.190 3.927 3.619 4.196 0.006 15 0 "[ . 1 . 2]" 1
290 1 74 ALA H 1 75 ALA H . . 3.440 2.858 2.571 2.972 . 0 0 "[ . 1 . 2]" 1
291 1 75 ALA H 1 95 TRP HH2 . . 3.720 2.940 2.510 3.378 . 0 0 "[ . 1 . 2]" 1
292 1 72 GLU HA 1 75 ALA H . . 4.150 3.617 3.337 3.861 . 0 0 "[ . 1 . 2]" 1
293 1 75 ALA H 1 75 ALA MB . . 3.070 2.119 2.027 2.238 . 0 0 "[ . 1 . 2]" 1
294 1 20 GLN H 1 20 GLN HB2 . . 3.780 2.362 2.125 2.708 . 0 0 "[ . 1 . 2]" 1
295 1 20 GLN H 1 20 GLN HB3 . . 3.780 3.560 3.425 3.622 . 0 0 "[ . 1 . 2]" 1
296 1 17 VAL HA 1 20 GLN H . . 4.370 3.371 3.127 3.590 . 0 0 "[ . 1 . 2]" 1
297 1 80 SER HB2 1 81 VAL H . . 4.020 2.831 2.276 3.500 . 0 0 "[ . 1 . 2]" 1
298 1 80 SER HB3 1 81 VAL H . . 4.020 2.259 1.899 2.752 . 0 0 "[ . 1 . 2]" 1
299 1 81 VAL H 1 81 VAL MG1 . . 4.410 3.771 3.766 3.777 . 0 0 "[ . 1 . 2]" 1
300 1 78 ILE HA 1 81 VAL H . . 4.650 4.000 3.872 4.142 . 0 0 "[ . 1 . 2]" 1
301 1 60 GLU H 1 60 GLU QB . . 3.830 2.584 2.279 3.004 . 0 0 "[ . 1 . 2]" 1
302 1 74 ALA HA 1 78 ILE H . . 4.270 4.150 3.965 4.250 . 0 0 "[ . 1 . 2]" 1
303 1 78 ILE H 1 78 ILE HG13 . . 2.800 2.382 2.122 2.561 . 0 0 "[ . 1 . 2]" 1
304 1 78 ILE H 1 79 VAL MG2 . . 4.240 3.568 3.399 3.698 . 0 0 "[ . 1 . 2]" 1
305 1 28 VAL MG2 1 78 ILE H . . 4.080 3.953 3.693 4.089 0.009 4 0 "[ . 1 . 2]" 1
306 1 78 ILE H 1 78 ILE MG . . 3.750 3.737 3.710 3.764 0.014 9 0 "[ . 1 . 2]" 1
307 1 78 ILE H 1 78 ILE HG12 . . 3.890 3.700 3.469 3.880 . 0 0 "[ . 1 . 2]" 1
308 1 19 ASN H 1 19 ASN HB3 . . 4.150 3.425 2.849 3.822 . 0 0 "[ . 1 . 2]" 1
309 1 14 PHE HB3 1 15 GLU H . . 4.320 2.673 2.512 3.037 . 0 0 "[ . 1 . 2]" 1
310 1 15 GLU H 1 16 ASP H . . 3.890 2.627 2.474 2.792 . 0 0 "[ . 1 . 2]" 1
311 1 15 GLU H 1 15 GLU HG2 . . 3.950 3.692 3.296 3.949 . 0 0 "[ . 1 . 2]" 1
312 1 15 GLU H 1 15 GLU HG3 . . 3.950 2.478 1.937 2.840 . 0 0 "[ . 1 . 2]" 1
313 1 15 GLU H 1 15 GLU HB3 . . 3.610 3.567 3.530 3.595 . 0 0 "[ . 1 . 2]" 1
314 1 72 GLU H 1 73 SER H . . 3.630 2.917 2.701 3.188 . 0 0 "[ . 1 . 2]" 1
315 1 73 SER H 1 74 ALA H . . 3.460 2.993 2.751 3.170 . 0 0 "[ . 1 . 2]" 1
316 1 73 SER H 1 73 SER HB2 . . 3.780 2.772 2.127 3.616 . 0 0 "[ . 1 . 2]" 1
317 1 73 SER H 1 73 SER HB3 . . 3.780 3.210 2.331 3.607 . 0 0 "[ . 1 . 2]" 1
318 1 72 GLU HB2 1 73 SER H . . 3.710 2.439 2.253 2.791 . 0 0 "[ . 1 . 2]" 1
319 1 72 GLU HB3 1 73 SER H . . 4.030 2.903 2.305 3.458 . 0 0 "[ . 1 . 2]" 1
320 1 70 THR MG 1 73 SER H . . 4.690 4.303 4.119 4.488 . 0 0 "[ . 1 . 2]" 1
321 1 73 SER H 1 74 ALA MB . . 5.140 4.556 4.404 4.690 . 0 0 "[ . 1 . 2]" 1
322 1 76 HIS H 1 77 ALA H . . 3.310 2.659 2.470 2.930 . 0 0 "[ . 1 . 2]" 1
323 1 75 ALA H 1 76 HIS H . . 3.330 2.722 2.540 2.963 . 0 0 "[ . 1 . 2]" 1
324 1 14 PHE QE 1 76 HIS H . . 3.830 3.376 2.908 3.834 0.004 5 0 "[ . 1 . 2]" 1
325 1 76 HIS H 1 76 HIS HD2 . . 4.100 3.609 2.998 3.982 . 0 0 "[ . 1 . 2]" 1
326 1 14 PHE QD 1 76 HIS H . . 4.490 4.084 3.407 4.476 . 0 0 "[ . 1 . 2]" 1
327 1 74 ALA H 1 76 HIS H . . 4.550 4.140 3.918 4.476 . 0 0 "[ . 1 . 2]" 1
328 1 73 SER HA 1 76 HIS H . . 3.740 3.547 3.199 3.742 0.002 16 0 "[ . 1 . 2]" 1
329 1 76 HIS H 1 76 HIS HB2 . . 3.730 2.266 2.174 2.447 . 0 0 "[ . 1 . 2]" 1
330 1 76 HIS H 1 76 HIS HB3 . . 3.730 3.534 3.484 3.587 . 0 0 "[ . 1 . 2]" 1
331 1 75 ALA MB 1 76 HIS H . . 3.540 2.713 2.312 2.965 . 0 0 "[ . 1 . 2]" 1
332 1 76 HIS H 1 78 ILE H . . 4.140 3.975 3.809 4.128 . 0 0 "[ . 1 . 2]" 1
333 1 60 GLU QB 1 61 LYS H . . 3.790 3.174 2.639 3.679 . 0 0 "[ . 1 . 2]" 1
334 1 60 GLU H 1 61 LYS H . . 4.250 2.178 2.116 2.281 . 0 0 "[ . 1 . 2]" 1
335 1 61 LYS H 1 62 GLY HA2 . . 4.450 4.368 4.234 4.471 0.021 2 0 "[ . 1 . 2]" 1
336 1 61 LYS H 1 61 LYS HB2 . . 3.730 2.491 2.210 2.792 . 0 0 "[ . 1 . 2]" 1
337 1 61 LYS H 1 61 LYS HB3 . . 3.730 3.643 3.400 3.747 0.017 17 0 "[ . 1 . 2]" 1
338 1 16 ASP H 1 16 ASP HB2 . . 3.700 2.279 2.108 2.620 . 0 0 "[ . 1 . 2]" 1
339 1 14 PHE HA 1 16 ASP H . . 4.680 4.048 3.717 4.387 . 0 0 "[ . 1 . 2]" 1
340 1 13 ARG HB3 1 16 ASP H . . 4.040 2.626 2.345 3.143 . 0 0 "[ . 1 . 2]" 1
341 1 15 GLU HB3 1 16 ASP H . . 4.320 3.745 3.385 4.053 . 0 0 "[ . 1 . 2]" 1
342 1 13 ARG HB2 1 16 ASP H . . 4.040 3.305 2.762 3.801 . 0 0 "[ . 1 . 2]" 1
343 1 12 LEU HG 1 82 ASN HD22 . . 4.810 3.409 2.444 4.474 . 0 0 "[ . 1 . 2]" 1
344 1 31 GLY H 1 91 VAL HA . . 4.350 4.160 4.051 4.317 . 0 0 "[ . 1 . 2]" 1
345 1 31 GLY H 1 92 LYS HB3 . . 4.940 3.612 2.980 4.467 . 0 0 "[ . 1 . 2]" 1
346 1 31 GLY H 1 92 LYS QD . . 5.500 4.443 3.389 4.796 . 0 0 "[ . 1 . 2]" 1
347 1 31 GLY H 1 92 LYS H . . 3.610 2.209 2.078 2.394 . 0 0 "[ . 1 . 2]" 1
348 1 29 TYR QE 1 31 GLY H . . 3.800 3.685 3.492 3.803 0.003 14 0 "[ . 1 . 2]" 1
349 1 30 CYS HA 1 31 GLY H . . 2.880 2.150 2.144 2.161 . 0 0 "[ . 1 . 2]" 1
350 1 30 CYS HB3 1 31 GLY H . . 4.540 4.145 3.997 4.406 . 0 0 "[ . 1 . 2]" 1
351 1 30 CYS HB2 1 31 GLY H . . 4.680 4.535 4.410 4.593 . 0 0 "[ . 1 . 2]" 1
352 1 30 CYS HG 1 31 GLY H . . 4.750 3.813 3.271 4.619 . 0 0 "[ . 1 . 2]" 1
353 1 31 GLY H 1 91 VAL MG1 . . 5.190 4.895 4.694 5.147 . 0 0 "[ . 1 . 2]" 1
354 1 33 ILE MD 1 38 THR H . . 4.220 4.159 4.020 4.224 0.004 5 0 "[ . 1 . 2]" 1
355 1 37 LEU HA 1 38 THR H . . 2.960 2.152 2.138 2.165 . 0 0 "[ . 1 . 2]" 1
356 1 38 THR H 1 41 LEU HB2 . . 3.320 3.213 2.950 3.319 . 0 0 "[ . 1 . 2]" 1
357 1 38 THR H 1 41 LEU HB3 . . 3.320 2.554 2.404 2.656 . 0 0 "[ . 1 . 2]" 1
358 1 37 LEU HB3 1 38 THR H . . 4.120 4.048 3.872 4.120 0.000 2 0 "[ . 1 . 2]" 1
359 1 38 THR H 1 38 THR MG . . 3.550 3.251 2.924 3.415 . 0 0 "[ . 1 . 2]" 1
360 1 37 LEU MD2 1 38 THR H . . 3.220 2.385 2.040 2.624 . 0 0 "[ . 1 . 2]" 1
361 1 33 ILE MG 1 38 THR H . . 4.440 4.152 3.950 4.397 . 0 0 "[ . 1 . 2]" 1
362 1 76 HIS HA 1 79 VAL H . . 4.310 3.985 3.806 4.196 . 0 0 "[ . 1 . 2]" 1
363 1 82 ASN H 1 83 GLY H . . 4.930 4.139 3.970 4.266 . 0 0 "[ . 1 . 2]" 1
364 1 82 ASN HA 1 83 GLY H . . 2.930 2.263 2.204 2.346 . 0 0 "[ . 1 . 2]" 1
365 1 82 ASN HB2 1 83 GLY H . . 4.740 4.520 4.415 4.604 . 0 0 "[ . 1 . 2]" 1
366 1 83 GLY H 1 91 VAL MG2 . . 3.590 3.247 3.089 3.516 . 0 0 "[ . 1 . 2]" 1
367 1 46 PHE H 1 46 PHE HB3 . . 3.710 3.628 3.598 3.653 . 0 0 "[ . 1 . 2]" 1
368 1 42 MET HA 1 45 THR H . . 4.160 3.425 3.253 3.518 . 0 0 "[ . 1 . 2]" 1
369 1 45 THR H 1 45 THR HB . . 3.180 2.379 2.322 2.507 . 0 0 "[ . 1 . 2]" 1
370 1 44 GLN QG 1 45 THR H . . 4.430 4.250 4.042 4.434 0.004 13 0 "[ . 1 . 2]" 1
371 1 42 MET ME 1 45 THR H . . 4.780 4.523 4.282 4.714 . 0 0 "[ . 1 . 2]" 1
372 1 45 THR H 1 45 THR HG1 . . 3.160 2.509 2.303 2.721 . 0 0 "[ . 1 . 2]" 1
373 1 41 LEU HA 1 45 THR H . . 4.800 4.032 3.879 4.239 . 0 0 "[ . 1 . 2]" 1
374 1 45 THR H 1 47 SER QB . . 5.230 4.242 4.116 4.405 . 0 0 "[ . 1 . 2]" 1
375 1 44 GLN HB2 1 45 THR H . . 3.830 3.675 3.458 3.829 . 0 0 "[ . 1 . 2]" 1
376 1 44 GLN HB3 1 45 THR H . . 3.810 2.817 2.496 3.169 . 0 0 "[ . 1 . 2]" 1
377 1 78 ILE HG12 1 79 VAL H . . 5.500 4.870 4.799 4.992 . 0 0 "[ . 1 . 2]" 1
378 1 75 ALA HA 1 79 VAL H . . 4.550 3.644 3.455 3.870 . 0 0 "[ . 1 . 2]" 1
379 1 79 VAL H 1 79 VAL HB . . 3.640 3.619 3.604 3.636 . 0 0 "[ . 1 . 2]" 1
380 1 79 VAL H 1 79 VAL MG2 . . 3.490 2.071 1.886 2.273 . 0 0 "[ . 1 . 2]" 1
381 1 78 ILE HB 1 79 VAL H . . 3.330 2.285 2.148 2.461 . 0 0 "[ . 1 . 2]" 1
382 1 63 TYR QD 1 64 SER H . . 4.210 2.553 2.317 2.726 . 0 0 "[ . 1 . 2]" 1
383 1 63 TYR HA 1 64 SER H . . 3.260 2.457 2.370 2.562 . 0 0 "[ . 1 . 2]" 1
384 1 31 GLY HA2 1 64 SER H . . 4.180 3.518 3.213 3.651 . 0 0 "[ . 1 . 2]" 1
385 1 30 CYS HB3 1 64 SER H . . 4.130 3.379 3.134 3.861 . 0 0 "[ . 1 . 2]" 1
386 1 63 TYR HB3 1 64 SER H . . 3.980 3.845 3.758 3.980 . 10 0 "[ . 1 . 2]" 1
387 1 45 THR H 1 46 PHE H . . 3.350 2.604 2.425 2.715 . 0 0 "[ . 1 . 2]" 1
388 1 45 THR HG1 1 46 PHE H . . 4.430 4.350 4.217 4.408 . 0 0 "[ . 1 . 2]" 1
389 1 42 MET HA 1 46 PHE H . . 4.500 3.774 3.518 3.947 . 0 0 "[ . 1 . 2]" 1
390 1 45 THR HB 1 46 PHE H . . 3.520 2.654 2.478 2.855 . 0 0 "[ . 1 . 2]" 1
391 1 46 PHE H 1 46 PHE HB2 . . 3.390 2.419 2.366 2.459 . 0 0 "[ . 1 . 2]" 1
392 1 45 THR MG 1 46 PHE H . . 4.260 3.241 2.941 3.637 . 0 0 "[ . 1 . 2]" 1
393 1 46 PHE H 1 52 ILE MD . . 4.320 3.374 3.127 3.655 . 0 0 "[ . 1 . 2]" 1
394 1 84 THR MG 1 85 THR H . . 3.740 3.642 3.455 3.741 0.001 10 0 "[ . 1 . 2]" 1
395 1 84 THR HA 1 85 THR H . . 3.000 2.404 2.312 2.573 . 0 0 "[ . 1 . 2]" 1
396 1 84 THR HB 1 85 THR H . . 2.890 2.394 2.029 2.613 . 0 0 "[ . 1 . 2]" 1
397 1 85 THR H 1 85 THR HB . . 3.220 2.765 2.694 2.825 . 0 0 "[ . 1 . 2]" 1
398 1 85 THR H 1 85 THR MG . . 3.890 3.899 3.873 3.927 0.037 20 0 "[ . 1 . 2]" 1
399 1 24 LYS H 1 25 ASN H . . 3.310 2.731 2.473 3.027 . 0 0 "[ . 1 . 2]" 1
400 1 24 LYS H 1 24 LYS HB2 . . 3.860 2.786 2.088 3.617 . 0 0 "[ . 1 . 2]" 1
401 1 24 LYS H 1 24 LYS HB3 . . 3.860 3.136 2.313 3.591 . 0 0 "[ . 1 . 2]" 1
402 1 24 LYS H 1 24 LYS QD . . 4.190 3.446 1.897 4.116 . 0 0 "[ . 1 . 2]" 1
403 1 24 LYS H 1 24 LYS QG . . 3.700 2.639 1.904 3.613 . 0 0 "[ . 1 . 2]" 1
404 1 62 GLY H 1 63 TYR H . . 3.610 2.224 2.123 2.327 . 0 0 "[ . 1 . 2]" 1
405 1 63 TYR H 1 63 TYR QD . . 4.020 3.235 2.577 3.441 . 0 0 "[ . 1 . 2]" 1
406 1 58 PHE HB2 1 63 TYR H . . 4.220 2.834 2.692 2.963 . 0 0 "[ . 1 . 2]" 1
407 1 58 PHE HB3 1 63 TYR H . . 4.220 3.557 3.375 3.921 . 0 0 "[ . 1 . 2]" 1
408 1 37 LEU MD1 1 63 TYR H . . 3.820 2.741 2.516 3.075 . 0 0 "[ . 1 . 2]" 1
409 1 68 PHE QD 1 69 SER H . . 4.060 3.602 3.116 3.842 . 0 0 "[ . 1 . 2]" 1
410 1 68 PHE HA 1 69 SER H . . 3.210 2.340 2.256 2.488 . 0 0 "[ . 1 . 2]" 1
411 1 69 SER H 1 69 SER HB3 . . 3.680 2.612 2.180 3.188 . 0 0 "[ . 1 . 2]" 1
412 1 69 SER H 1 70 THR MG . . 4.470 4.293 3.969 4.461 . 0 0 "[ . 1 . 2]" 1
413 1 53 MET ME 1 69 SER H . . 4.320 3.920 3.560 4.226 . 0 0 "[ . 1 . 2]" 1
414 1 80 SER H 1 81 VAL H . . 3.330 2.745 2.674 2.810 . 0 0 "[ . 1 . 2]" 1
415 1 80 SER H 1 80 SER HB2 . . 3.610 2.332 2.162 2.656 . 0 0 "[ . 1 . 2]" 1
416 1 80 SER H 1 80 SER HB3 . . 3.610 3.144 2.545 3.536 . 0 0 "[ . 1 . 2]" 1
417 1 79 VAL HB 1 80 SER H . . 3.770 3.704 3.336 3.784 0.014 15 0 "[ . 1 . 2]" 1
418 1 79 VAL MG2 1 80 SER H . . 3.580 2.046 1.857 2.253 . 0 0 "[ . 1 . 2]" 1
419 1 84 THR H 1 84 THR HB . . 3.720 3.676 3.635 3.714 . 0 0 "[ . 1 . 2]" 1
420 1 82 ASN HA 1 84 THR H . . 4.030 3.852 3.756 3.979 . 0 0 "[ . 1 . 2]" 1
421 1 83 GLY H 1 84 THR H . . 3.470 2.000 1.837 2.214 . 0 0 "[ . 1 . 2]" 1
422 1 84 THR H 1 84 THR HG1 . . 3.730 2.752 1.901 3.507 . 0 0 "[ . 1 . 2]" 1
423 1 81 VAL HA 1 84 THR H . . 3.990 3.743 3.503 3.933 . 0 0 "[ . 1 . 2]" 1
424 1 84 THR H 1 84 THR MG . . 3.360 2.559 2.359 2.809 . 0 0 "[ . 1 . 2]" 1
425 1 84 THR H 1 91 VAL MG2 . . 3.550 2.761 2.606 3.084 . 0 0 "[ . 1 . 2]" 1
426 1 48 PRO HB3 1 49 PHE H . . 4.530 3.937 3.875 4.099 . 0 0 "[ . 1 . 2]" 1
427 1 47 SER HA 1 49 PHE H . . 5.270 4.934 4.564 5.073 . 0 0 "[ . 1 . 2]" 1
428 1 49 PHE H 1 49 PHE HB3 . . 3.870 3.542 3.514 3.566 . 0 0 "[ . 1 . 2]" 1
429 1 46 PHE HA 1 49 PHE H . . 4.920 3.203 3.036 3.290 . 0 0 "[ . 1 . 2]" 1
430 1 35 SER H 1 89 HIS HE1 . . 4.640 4.194 3.906 4.439 . 0 0 "[ . 1 . 2]" 1
431 1 34 ALA H 1 35 SER H . . 3.710 1.901 1.831 2.044 . 0 0 "[ . 1 . 2]" 1
432 1 35 SER H 1 35 SER QB . . 3.520 2.385 2.214 2.894 . 0 0 "[ . 1 . 2]" 1
433 1 34 ALA MB 1 35 SER H . . 3.790 2.589 2.423 2.724 . 0 0 "[ . 1 . 2]" 1
434 1 33 ILE MG 1 35 SER H . . 3.720 2.957 2.787 3.124 . 0 0 "[ . 1 . 2]" 1
435 1 33 ILE HA 1 35 SER H . . 4.380 4.002 3.869 4.206 . 0 0 "[ . 1 . 2]" 1
436 1 20 GLN HB2 1 21 SER H . . 4.180 2.715 2.319 3.103 . 0 0 "[ . 1 . 2]" 1
437 1 20 GLN HB3 1 21 SER H . . 4.180 3.221 2.772 3.606 . 0 0 "[ . 1 . 2]" 1
438 1 27 THR MG 1 96 GLY H . . 4.530 2.891 2.486 3.225 . 0 0 "[ . 1 . 2]" 1
439 1 95 TRP HE3 1 96 GLY H . . 4.020 3.698 3.223 3.981 . 0 0 "[ . 1 . 2]" 1
440 1 25 ASN HD22 1 96 GLY H . . 5.500 5.350 4.844 5.507 0.007 7 0 "[ . 1 . 2]" 1
441 1 95 TRP HA 1 96 GLY H . . 3.210 2.262 2.164 2.339 . 0 0 "[ . 1 . 2]" 1
442 1 28 VAL HA 1 96 GLY H . . 3.800 3.061 2.875 3.402 . 0 0 "[ . 1 . 2]" 1
443 1 95 TRP HB2 1 96 GLY H . . 4.590 4.577 4.531 4.595 0.005 12 0 "[ . 1 . 2]" 1
444 1 78 ILE MD 1 96 GLY H . . 4.770 4.432 4.233 4.663 . 0 0 "[ . 1 . 2]" 1
445 1 58 PHE HB3 1 62 GLY H . . 4.680 3.432 3.291 3.691 . 0 0 "[ . 1 . 2]" 1
446 1 59 PRO HA 1 62 GLY H . . 4.090 3.610 3.494 3.694 . 0 0 "[ . 1 . 2]" 1
447 1 37 LEU MD1 1 62 GLY H . . 4.660 3.496 3.244 3.699 . 0 0 "[ . 1 . 2]" 1
448 1 69 SER H 1 70 THR H . . 3.440 2.473 2.246 2.613 . 0 0 "[ . 1 . 2]" 1
449 1 70 THR H 1 73 SER H . . 4.930 4.681 4.351 4.904 . 0 0 "[ . 1 . 2]" 1
450 1 68 PHE HB2 1 70 THR H . . 3.450 3.341 3.119 3.450 0.000 16 0 "[ . 1 . 2]" 1
451 1 68 PHE HB3 1 70 THR H . . 3.450 2.310 2.147 2.424 . 0 0 "[ . 1 . 2]" 1
452 1 70 THR H 1 70 THR MG . . 3.560 3.060 2.878 3.476 . 0 0 "[ . 1 . 2]" 1
453 1 35 SER HA 1 36 GLY H . . 3.540 3.083 2.990 3.427 . 0 0 "[ . 1 . 2]" 1
454 1 34 ALA HA 1 36 GLY H . . 4.580 4.091 3.946 4.433 . 0 0 "[ . 1 . 2]" 1
455 1 50 GLY H 1 51 GLN H . . 4.800 4.378 4.167 4.415 . 0 0 "[ . 1 . 2]" 1
456 1 47 SER HA 1 50 GLY H . . 4.310 4.245 4.017 4.317 0.007 7 0 "[ . 1 . 2]" 1
457 1 50 GLY H 1 68 PHE QE . . 3.650 3.394 2.903 3.620 . 0 0 "[ . 1 . 2]" 1
458 1 48 PRO HA 1 50 GLY H . . 3.820 3.695 3.559 3.821 0.001 3 0 "[ . 1 . 2]" 1
459 1 49 PHE HB3 1 50 GLY H . . 4.510 3.648 3.494 3.804 . 0 0 "[ . 1 . 2]" 1
460 1 49 PHE HB2 1 50 GLY H . . 4.560 3.179 3.072 3.297 . 0 0 "[ . 1 . 2]" 1
461 1 31 GLY HA2 1 32 GLY H . . 3.480 2.161 2.146 2.191 . 0 0 "[ . 1 . 2]" 1
462 1 87 GLU H 1 88 GLY H . . 3.730 2.676 2.593 2.757 . 0 0 "[ . 1 . 2]" 1
463 1 87 GLU HA 1 88 GLY H . . 3.550 2.930 2.777 3.054 . 0 0 "[ . 1 . 2]" 1
464 1 48 PRO QG 1 50 GLY H . . 5.500 4.505 4.458 4.617 . 0 0 "[ . 1 . 2]" 1
465 1 50 GLY H 1 52 ILE HG13 . . 5.500 4.913 4.634 5.158 . 0 0 "[ . 1 . 2]" 1
466 1 48 PRO HD3 1 50 GLY H . . 5.500 5.340 5.283 5.414 . 0 0 "[ . 1 . 2]" 1
467 1 49 PHE H 1 50 GLY H . . 3.130 2.828 2.643 2.907 . 0 0 "[ . 1 . 2]" 1
468 1 46 PHE H 1 66 VAL MG1 . . 5.430 4.925 4.683 5.272 . 0 0 "[ . 1 . 2]" 1
469 1 46 PHE H 1 47 SER QB . . 4.710 4.018 3.890 4.148 . 0 0 "[ . 1 . 2]" 1
470 1 46 PHE H 1 46 PHE QE . . 5.100 4.797 4.642 4.927 . 0 0 "[ . 1 . 2]" 1
471 1 45 THR H 1 46 PHE HB2 . . 5.500 4.826 4.673 4.978 . 0 0 "[ . 1 . 2]" 1
472 1 43 ARG H 1 45 THR H . . 5.030 3.985 3.753 4.293 . 0 0 "[ . 1 . 2]" 1
473 1 43 ARG H 1 44 GLN HB2 . . 4.990 4.783 4.539 4.894 . 0 0 "[ . 1 . 2]" 1
474 1 41 LEU H 1 43 ARG H . . 5.320 3.983 3.826 4.232 . 0 0 "[ . 1 . 2]" 1
475 1 41 LEU HG 1 42 MET H . . 5.190 3.541 3.119 4.586 . 0 0 "[ . 1 . 2]" 1
476 1 40 GLN H 1 42 MET H . . 4.930 4.632 4.407 4.820 . 0 0 "[ . 1 . 2]" 1
477 1 41 LEU H 1 41 LEU HG . . 4.790 4.480 4.331 4.540 . 0 0 "[ . 1 . 2]" 1
478 1 39 ASP QB 1 41 LEU H . . 5.280 4.786 4.476 5.117 . 0 0 "[ . 1 . 2]" 1
479 1 41 LEU H 1 42 MET HB2 . . 5.500 4.851 4.552 5.049 . 0 0 "[ . 1 . 2]" 1
480 1 39 ASP H 1 41 LEU H . . 5.500 4.305 4.028 4.530 . 0 0 "[ . 1 . 2]" 1
481 1 38 THR H 1 42 MET HG2 . . 4.840 3.972 3.592 4.134 . 0 0 "[ . 1 . 2]" 1
482 1 38 THR H 1 41 LEU HA . . 5.500 5.301 5.150 5.382 . 0 0 "[ . 1 . 2]" 1
483 1 38 THR H 1 42 MET H . . 5.050 3.916 3.693 4.122 . 0 0 "[ . 1 . 2]" 1
484 1 38 THR H 1 39 ASP H . . 5.500 4.312 4.241 4.384 . 0 0 "[ . 1 . 2]" 1
485 1 38 THR H 1 38 THR HG1 . . 5.180 2.738 2.058 3.808 . 0 0 "[ . 1 . 2]" 1
486 1 33 ILE HB 1 34 ALA H . . 4.720 3.816 3.691 3.987 . 0 0 "[ . 1 . 2]" 1
487 1 32 GLY H 1 33 ILE MD . . 4.850 4.484 3.971 4.797 . 0 0 "[ . 1 . 2]" 1
488 1 32 GLY H 1 33 ILE HG13 . . 4.980 4.611 4.351 4.802 . 0 0 "[ . 1 . 2]" 1
489 1 32 GLY H 1 33 ILE HB . . 5.440 4.503 4.336 4.647 . 0 0 "[ . 1 . 2]" 1
490 1 32 GLY H 1 63 TYR HB3 . . 5.100 4.478 4.213 4.803 . 0 0 "[ . 1 . 2]" 1
491 1 32 GLY H 1 63 TYR HB2 . . 5.100 4.856 4.451 5.025 . 0 0 "[ . 1 . 2]" 1
492 1 28 VAL MG1 1 30 CYS H . . 4.950 3.920 3.684 4.192 . 0 0 "[ . 1 . 2]" 1
493 1 30 CYS H 1 64 SER HB3 . . 4.950 3.647 3.428 4.156 . 0 0 "[ . 1 . 2]" 1
494 1 29 TYR HB2 1 30 CYS H . . 4.540 4.315 4.250 4.378 . 0 0 "[ . 1 . 2]" 1
495 1 30 CYS H 1 65 PHE QD . . 4.750 4.549 4.011 4.747 . 0 0 "[ . 1 . 2]" 1
496 1 30 CYS H 1 64 SER H . . 3.800 3.093 2.831 3.533 . 0 0 "[ . 1 . 2]" 1
497 1 29 TYR H 1 30 CYS H . . 4.760 4.368 4.272 4.457 . 0 0 "[ . 1 . 2]" 1
498 1 21 SER H 1 95 TRP HE1 . . 4.890 3.809 3.384 4.098 . 0 0 "[ . 1 . 2]" 1
499 1 18 VAL HB 1 19 ASN H . . 4.900 4.292 2.551 4.646 . 0 0 "[ . 1 . 2]" 1
500 1 16 ASP H 1 18 VAL H . . 4.410 3.903 3.650 4.225 . 0 0 "[ . 1 . 2]" 1
501 1 13 ARG H 1 16 ASP H . . 4.730 4.412 4.151 4.731 0.001 14 0 "[ . 1 . 2]" 1
502 1 13 ARG H 1 17 VAL H . . 5.140 4.701 4.191 4.966 . 0 0 "[ . 1 . 2]" 1
503 1 52 ILE H 1 68 PHE QD . . 5.500 5.243 5.024 5.436 . 0 0 "[ . 1 . 2]" 1
504 1 52 ILE H 1 68 PHE QE . . 5.500 5.370 5.184 5.499 . 0 0 "[ . 1 . 2]" 1
505 1 52 ILE H 1 53 MET H . . 5.220 4.454 4.357 4.546 . 0 0 "[ . 1 . 2]" 1
506 1 52 ILE HG12 1 53 MET H . . 4.880 4.494 4.321 4.691 . 0 0 "[ . 1 . 2]" 1
507 1 53 MET H 1 66 VAL MG1 . . 5.500 4.125 3.960 4.278 . 0 0 "[ . 1 . 2]" 1
508 1 52 ILE MG 1 55 ILE H . . 4.800 4.137 3.946 4.358 . 0 0 "[ . 1 . 2]" 1
509 1 61 LYS H 1 63 TYR H . . 4.240 3.780 3.654 3.904 . 0 0 "[ . 1 . 2]" 1
510 1 59 PRO HA 1 61 LYS H . . 4.770 4.211 3.931 4.404 . 0 0 "[ . 1 . 2]" 1
511 1 61 LYS H 1 62 GLY H . . 2.990 2.085 1.957 2.191 . 0 0 "[ . 1 . 2]" 1
512 1 62 GLY H 1 63 TYR QD . . 5.100 4.035 3.355 4.289 . 0 0 "[ . 1 . 2]" 1
513 1 60 GLU H 1 62 GLY H . . 5.500 3.500 3.407 3.652 . 0 0 "[ . 1 . 2]" 1
514 1 58 PHE H 1 62 GLY H . . 4.850 4.821 4.768 4.850 . 0 0 "[ . 1 . 2]" 1
515 1 58 PHE HB2 1 62 GLY H . . 4.680 3.814 3.638 3.947 . 0 0 "[ . 1 . 2]" 1
516 1 63 TYR H 1 63 TYR QE . . 5.370 4.678 4.482 4.792 . 0 0 "[ . 1 . 2]" 1
517 1 63 TYR H 1 64 SER H . . 4.930 4.393 4.375 4.420 . 0 0 "[ . 1 . 2]" 1
518 1 29 TYR HA 1 66 VAL H . . 4.660 3.780 3.589 4.024 . 0 0 "[ . 1 . 2]" 1
519 1 27 THR HA 1 66 VAL H . . 4.850 4.796 4.621 4.859 0.009 14 0 "[ . 1 . 2]" 1
520 1 68 PHE H 1 69 SER H . . 4.770 4.553 4.508 4.589 . 0 0 "[ . 1 . 2]" 1
521 1 53 MET H 1 69 SER H . . 4.830 4.598 4.294 4.824 . 0 0 "[ . 1 . 2]" 1
522 1 69 SER HB3 1 70 THR H . . 4.870 3.751 3.098 4.490 . 0 0 "[ . 1 . 2]" 1
523 1 69 SER HB2 1 70 THR H . . 4.870 4.150 3.894 4.403 . 0 0 "[ . 1 . 2]" 1
524 1 68 PHE QD 1 70 THR H . . 4.290 4.077 3.782 4.290 0.000 15 0 "[ . 1 . 2]" 1
525 1 68 PHE H 1 70 THR H . . 5.030 4.840 4.669 5.035 0.005 11 0 "[ . 1 . 2]" 1
526 1 70 THR H 1 71 HIS H . . 4.800 4.322 3.845 4.463 . 0 0 "[ . 1 . 2]" 1
527 1 72 GLU H 1 75 ALA MB . . 5.160 4.652 4.361 4.831 . 0 0 "[ . 1 . 2]" 1
528 1 71 HIS H 1 72 GLU H . . 3.630 2.531 2.283 2.971 . 0 0 "[ . 1 . 2]" 1
529 1 76 HIS H 1 78 ILE HB . . 5.250 5.026 4.807 5.154 . 0 0 "[ . 1 . 2]" 1
530 1 72 GLU HB3 1 76 HIS H . . 5.350 5.033 4.739 5.330 . 0 0 "[ . 1 . 2]" 1
531 1 72 GLU HA 1 76 HIS H . . 5.130 4.255 4.049 4.477 . 0 0 "[ . 1 . 2]" 1
532 1 76 HIS H 1 79 VAL H . . 5.080 4.885 4.816 4.955 . 0 0 "[ . 1 . 2]" 1
533 1 77 ALA H 1 78 ILE MD . . 5.490 5.086 4.861 5.436 . 0 0 "[ . 1 . 2]" 1
534 1 28 VAL MG2 1 77 ALA H . . 5.360 4.605 4.381 4.805 . 0 0 "[ . 1 . 2]" 1
535 1 77 ALA H 1 78 ILE H . . 3.340 2.539 2.384 2.771 . 0 0 "[ . 1 . 2]" 1
536 1 49 PHE QD 1 77 ALA H . . 4.050 3.926 3.635 4.057 0.007 12 0 "[ . 1 . 2]" 1
537 1 78 ILE H 1 93 CYS QB . . 5.500 4.485 4.296 4.605 . 0 0 "[ . 1 . 2]" 1
538 1 78 ILE H 1 79 VAL H . . 3.360 2.787 2.654 2.908 . 0 0 "[ . 1 . 2]" 1
539 1 79 VAL H 1 80 SER H . . 3.090 2.845 2.763 2.931 . 0 0 "[ . 1 . 2]" 1
540 1 77 ALA H 1 79 VAL H . . 5.020 4.518 4.148 4.833 . 0 0 "[ . 1 . 2]" 1
541 1 81 VAL H 1 82 ASN H . . 3.170 2.872 2.779 3.020 . 0 0 "[ . 1 . 2]" 1
542 1 80 SER H 1 82 ASN H . . 3.790 3.569 3.416 3.801 0.011 11 0 "[ . 1 . 2]" 1
543 1 82 ASN HB3 1 83 GLY H . . 5.040 4.521 4.444 4.557 . 0 0 "[ . 1 . 2]" 1
544 1 84 THR H 1 85 THR H . . 5.160 4.556 4.524 4.593 . 0 0 "[ . 1 . 2]" 1
545 1 85 THR H 1 86 ILE H . . 4.950 4.170 4.021 4.279 . 0 0 "[ . 1 . 2]" 1
546 1 86 ILE H 1 89 HIS HB2 . . 4.820 3.880 3.716 4.167 . 0 0 "[ . 1 . 2]" 1
547 1 86 ILE H 1 89 HIS HB3 . . 5.480 4.915 4.732 5.135 . 0 0 "[ . 1 . 2]" 1
548 1 86 ILE H 1 91 VAL H . . 4.470 3.457 3.124 3.952 . 0 0 "[ . 1 . 2]" 1
549 1 87 GLU HB3 1 88 GLY H . . 4.950 4.458 4.398 4.534 . 0 0 "[ . 1 . 2]" 1
550 1 86 ILE HA 1 88 GLY H . . 4.490 3.672 3.490 3.949 . 0 0 "[ . 1 . 2]" 1
551 1 78 ILE MG 1 93 CYS H . . 5.190 4.328 4.113 4.413 . 0 0 "[ . 1 . 2]" 1
552 1 91 VAL MG2 1 93 CYS H . . 5.060 4.141 4.012 4.358 . 0 0 "[ . 1 . 2]" 1
553 1 92 LYS HG2 1 93 CYS H . . 4.880 4.239 3.806 4.883 0.003 1 0 "[ . 1 . 2]" 1
554 1 92 LYS HG3 1 93 CYS H . . 4.880 4.464 4.197 4.642 . 0 0 "[ . 1 . 2]" 1
555 1 93 CYS H 1 94 TYR QD . . 4.820 4.729 4.289 4.835 0.015 9 0 "[ . 1 . 2]" 1
556 1 75 ALA MB 1 95 TRP HE1 . . 5.150 4.397 4.182 4.639 . 0 0 "[ . 1 . 2]" 1
557 1 17 VAL HB 1 95 TRP HE1 . . 5.030 4.280 3.854 4.606 . 0 0 "[ . 1 . 2]" 1
558 1 20 GLN HG2 1 95 TRP HE1 . . 5.420 5.004 3.569 5.413 . 0 0 "[ . 1 . 2]" 1
559 1 27 THR H 1 28 VAL H . . 4.730 4.447 4.428 4.458 . 0 0 "[ . 1 . 2]" 1
560 1 27 THR H 1 68 PHE H . . 5.110 5.044 4.892 5.117 0.007 20 0 "[ . 1 . 2]" 1
561 1 26 CYS HB2 1 27 THR H . . 4.970 4.215 4.053 4.317 . 0 0 "[ . 1 . 2]" 1
562 1 27 THR H 1 95 TRP HB3 . . 5.430 4.491 4.302 4.691 . 0 0 "[ . 1 . 2]" 1
563 1 26 CYS HB3 1 27 THR H . . 4.970 3.880 3.822 3.995 . 0 0 "[ . 1 . 2]" 1
564 1 19 ASN H 1 20 GLN H . . 3.110 1.948 1.791 2.542 . 0 0 "[ . 1 . 2]" 1
565 1 20 GLN H 1 21 SER H . . 3.220 2.995 2.352 3.172 . 0 0 "[ . 1 . 2]" 1
566 1 15 GLU H 1 17 VAL HB . . 5.500 5.300 5.005 5.502 0.002 14 0 "[ . 1 . 2]" 1
567 1 15 GLU H 1 79 VAL MG1 . . 5.500 4.681 4.328 4.889 . 0 0 "[ . 1 . 2]" 1
568 1 14 PHE H 1 15 GLU H . . 4.310 2.826 2.707 2.930 . 0 0 "[ . 1 . 2]" 1
569 1 12 LEU HG 1 82 ASN HD21 . . 4.810 3.952 2.983 4.812 0.002 5 0 "[ . 1 . 2]" 1
570 1 31 GLY H 1 32 GLY H . . 5.050 4.381 4.279 4.450 . 0 0 "[ . 1 . 2]" 1
571 1 30 CYS H 1 31 GLY H . . 4.780 4.277 4.216 4.335 . 0 0 "[ . 1 . 2]" 1
572 1 25 ASN HD22 1 95 TRP HB2 . . 5.500 5.500 5.486 5.516 0.016 14 0 "[ . 1 . 2]" 1
573 1 96 GLY H 1 97 LYS H . . 5.280 4.144 3.158 4.627 . 0 0 "[ . 1 . 2]" 1
574 1 28 VAL H 1 96 GLY H . . 4.640 3.901 3.711 4.179 . 0 0 "[ . 1 . 2]" 1
575 1 90 VAL H 1 90 VAL MG2 . . 3.810 3.753 3.712 3.774 . 0 0 "[ . 1 . 2]" 1
576 1 49 PHE H 1 77 ALA MB . . 5.500 4.723 4.617 4.926 . 0 0 "[ . 1 . 2]" 1
577 1 41 LEU HG 1 45 THR H . . 5.500 4.728 4.499 5.326 . 0 0 "[ . 1 . 2]" 1
578 1 40 GLN H 1 41 LEU H . . 3.280 2.687 2.510 2.845 . 0 0 "[ . 1 . 2]" 1
579 1 37 LEU H 1 59 PRO HB2 . . 5.320 4.904 4.619 5.136 . 0 0 "[ . 1 . 2]" 1
580 1 33 ILE H 1 63 TYR HA . . 5.500 4.683 4.459 4.947 . 0 0 "[ . 1 . 2]" 1
581 1 29 TYR QE 1 30 CYS H . . 5.500 4.907 4.680 5.172 . 0 0 "[ . 1 . 2]" 1
582 1 30 CYS H 1 93 CYS HA . . 5.500 4.761 4.566 4.943 . 0 0 "[ . 1 . 2]" 1
583 1 28 VAL H 1 68 PHE QD . . 5.060 4.125 3.898 4.344 . 0 0 "[ . 1 . 2]" 1
584 1 28 VAL H 1 68 PHE QE . . 5.500 4.717 4.438 5.435 . 0 0 "[ . 1 . 2]" 1
585 1 28 VAL H 1 65 PHE HA . . 5.500 4.647 4.518 4.809 . 0 0 "[ . 1 . 2]" 1
586 1 25 ASN H 1 25 ASN HB2 . . 3.390 3.193 3.008 3.399 0.009 5 0 "[ . 1 . 2]" 1
587 1 24 LYS QG 1 25 ASN H . . 4.660 3.427 1.892 4.442 . 0 0 "[ . 1 . 2]" 1
588 1 17 VAL MG2 1 20 GLN H . . 5.360 5.125 4.900 5.355 . 0 0 "[ . 1 . 2]" 1
589 1 17 VAL MG1 1 20 GLN H . . 5.360 4.532 4.304 4.735 . 0 0 "[ . 1 . 2]" 1
590 1 18 VAL HA 1 20 GLN H . . 4.780 4.470 4.208 4.687 . 0 0 "[ . 1 . 2]" 1
591 1 18 VAL H 1 20 GLN H . . 5.440 4.339 4.039 4.526 . 0 0 "[ . 1 . 2]" 1
592 1 16 ASP HB2 1 17 VAL H . . 3.780 3.455 3.094 3.781 0.001 15 0 "[ . 1 . 2]" 1
593 1 12 LEU H 1 13 ARG H . . 4.820 4.398 4.186 4.549 . 0 0 "[ . 1 . 2]" 1
594 1 11 GLN H 1 12 LEU H . . 4.580 4.479 4.329 4.640 0.060 1 0 "[ . 1 . 2]" 1
595 1 51 GLN H 1 51 GLN HB2 . . 3.560 2.357 2.152 2.690 . 0 0 "[ . 1 . 2]" 1
596 1 54 GLU H 1 66 VAL MG1 . . 5.220 4.342 4.145 4.690 . 0 0 "[ . 1 . 2]" 1
597 1 54 GLU H 1 68 PHE HA . . 5.490 5.119 4.879 5.322 . 0 0 "[ . 1 . 2]" 1
598 1 54 GLU H 1 55 ILE H . . 4.880 4.347 4.257 4.415 . 0 0 "[ . 1 . 2]" 1
599 1 55 ILE HG12 1 56 ARG H . . 4.610 4.254 4.075 4.436 . 0 0 "[ . 1 . 2]" 1
600 1 56 ARG H 1 66 VAL MG2 . . 5.050 3.596 3.435 3.874 . 0 0 "[ . 1 . 2]" 1
601 1 43 ARG H 1 44 GLN H . . 3.190 2.692 2.518 2.786 . 0 0 "[ . 1 . 2]" 1
602 1 59 PRO HD2 1 60 GLU H . . 5.060 2.918 2.873 2.958 . 0 0 "[ . 1 . 2]" 1
603 1 60 GLU HA 1 62 GLY H . . 4.890 4.644 4.513 4.752 . 0 0 "[ . 1 . 2]" 1
604 1 37 LEU MD1 1 64 SER H . . 4.500 4.132 3.965 4.348 . 0 0 "[ . 1 . 2]" 1
605 1 31 GLY HA3 1 64 SER H . . 4.750 4.630 4.285 4.758 0.008 10 0 "[ . 1 . 2]" 1
606 1 58 PHE QD 1 65 PHE H . . 5.340 4.131 3.980 4.362 . 0 0 "[ . 1 . 2]" 1
607 1 56 ARG H 1 65 PHE H . . 2.870 2.628 2.544 2.732 . 0 0 "[ . 1 . 2]" 1
608 1 65 PHE H 1 66 VAL H . . 4.620 4.368 4.258 4.506 . 0 0 "[ . 1 . 2]" 1
609 1 55 ILE HG13 1 67 ARG H . . 5.310 5.077 4.827 5.305 . 0 0 "[ . 1 . 2]" 1
610 1 72 GLU H 1 75 ALA H . . 5.260 4.795 4.534 4.981 . 0 0 "[ . 1 . 2]" 1
611 1 72 GLU H 1 74 ALA H . . 5.500 4.361 4.004 4.604 . 0 0 "[ . 1 . 2]" 1
612 1 70 THR H 1 74 ALA H . . 5.500 4.411 4.191 4.611 . 0 0 "[ . 1 . 2]" 1
613 1 28 VAL MG2 1 74 ALA H . . 5.130 4.463 4.190 4.655 . 0 0 "[ . 1 . 2]" 1
614 1 77 ALA H 1 79 VAL MG2 . . 5.500 4.006 3.737 4.180 . 0 0 "[ . 1 . 2]" 1
615 1 49 PHE HB2 1 77 ALA H . . 5.500 5.426 5.269 5.504 0.004 8 0 "[ . 1 . 2]" 1
616 1 78 ILE HA 1 80 SER H . . 5.350 4.105 3.946 4.537 . 0 0 "[ . 1 . 2]" 1
617 1 77 ALA MB 1 81 VAL H . . 5.490 4.138 4.001 4.309 . 0 0 "[ . 1 . 2]" 1
618 1 81 VAL H 1 84 THR MG . . 5.500 3.712 3.579 3.883 . 0 0 "[ . 1 . 2]" 1
619 1 77 ALA HA 1 81 VAL H . . 4.500 3.412 3.307 3.567 . 0 0 "[ . 1 . 2]" 1
620 1 79 VAL H 1 81 VAL H . . 5.080 4.982 4.796 5.086 0.006 11 0 "[ . 1 . 2]" 1
621 1 85 THR H 1 91 VAL MG2 . . 4.590 4.237 3.952 4.528 . 0 0 "[ . 1 . 2]" 1
622 1 89 HIS HB2 1 90 VAL H . . 4.340 4.277 4.190 4.340 . 0 0 "[ . 1 . 2]" 1
623 1 89 HIS H 1 90 VAL H . . 4.710 4.282 4.249 4.359 . 0 0 "[ . 1 . 2]" 1
624 1 90 VAL HB 1 91 VAL H . . 4.970 4.291 3.979 4.419 . 0 0 "[ . 1 . 2]" 1
625 1 84 THR H 1 91 VAL H . . 5.010 4.066 3.615 4.498 . 0 0 "[ . 1 . 2]" 1
626 1 31 GLY HA3 1 92 LYS H . . 4.940 3.717 3.615 3.869 . 0 0 "[ . 1 . 2]" 1
627 1 29 TYR QE 1 92 LYS H . . 5.500 5.253 4.823 5.498 . 0 0 "[ . 1 . 2]" 1
628 1 92 LYS H 1 93 CYS HA . . 5.500 4.789 4.632 4.899 . 0 0 "[ . 1 . 2]" 1
629 1 95 TRP H 1 96 GLY H . . 4.950 4.032 3.861 4.255 . 0 0 "[ . 1 . 2]" 1
630 1 98 GLU H 1 98 GLU HB3 . . 4.070 3.260 2.281 4.061 . 0 0 "[ . 1 . 2]" 1
631 1 98 GLU H 1 98 GLU HB2 . . 4.070 3.049 2.147 4.007 . 0 0 "[ . 1 . 2]" 1
632 1 97 LYS QB 1 98 GLU H . . 4.490 3.367 1.965 4.029 . 0 0 "[ . 1 . 2]" 1
633 1 28 VAL HA 1 94 TYR H . . 5.430 3.960 3.861 4.113 . 0 0 "[ . 1 . 2]" 1
634 1 78 ILE HG12 1 94 TYR H . . 4.910 3.923 3.726 4.177 . 0 0 "[ . 1 . 2]" 1
635 1 78 ILE MD 1 94 TYR H . . 5.050 4.297 4.115 4.515 . 0 0 "[ . 1 . 2]" 1
636 1 94 TYR H 1 95 TRP H . . 5.420 4.400 4.382 4.423 . 0 0 "[ . 1 . 2]" 1
637 1 85 THR HA 1 90 VAL H . . 4.920 4.329 4.143 4.514 . 0 0 "[ . 1 . 2]" 1
638 1 59 PRO HA 1 63 TYR H . . 5.040 4.490 4.327 4.681 . 0 0 "[ . 1 . 2]" 1
639 1 29 TYR H 1 95 TRP HA . . 4.740 3.664 3.525 3.800 . 0 0 "[ . 1 . 2]" 1
640 1 89 HIS HA 1 90 VAL H . . 2.850 2.144 2.139 2.168 . 0 0 "[ . 1 . 2]" 1
641 1 33 ILE HA 1 33 ILE MD . . 3.940 3.890 3.842 3.929 . 0 0 "[ . 1 . 2]" 1
642 1 33 ILE MD 1 37 LEU HA . . 4.770 3.032 2.852 3.159 . 0 0 "[ . 1 . 2]" 1
643 1 33 ILE MD 1 89 HIS HB2 . . 5.030 4.662 4.499 4.893 . 0 0 "[ . 1 . 2]" 1
644 1 33 ILE MD 1 91 VAL HB . . 4.550 3.958 3.698 4.165 . 0 0 "[ . 1 . 2]" 1
645 1 33 ILE HB 1 33 ILE MD . . 3.130 2.219 2.148 2.257 . 0 0 "[ . 1 . 2]" 1
646 1 37 LEU MD1 1 62 GLY HA3 . . 4.990 4.666 4.332 4.907 . 0 0 "[ . 1 . 2]" 1
647 1 46 PHE QD 1 52 ILE MD . . 4.530 3.142 2.793 3.513 . 0 0 "[ . 1 . 2]" 1
648 1 47 SER HA 1 52 ILE MD . . 3.610 2.635 2.330 2.979 . 0 0 "[ . 1 . 2]" 1
649 1 46 PHE HB2 1 52 ILE MD . . 3.550 1.976 1.776 2.309 . 0 0 "[ . 1 . 2]" 1
650 1 47 SER H 1 52 ILE MD . . 3.780 2.931 2.632 3.263 . 0 0 "[ . 1 . 2]" 1
651 1 52 ILE MD 1 68 PHE QE . . 4.540 4.183 3.837 4.465 . 0 0 "[ . 1 . 2]" 1
652 1 46 PHE HB3 1 52 ILE MD . . 3.640 2.712 2.414 2.998 . 0 0 "[ . 1 . 2]" 1
653 1 43 ARG QB 1 52 ILE MD . . 4.180 3.620 3.258 3.908 . 0 0 "[ . 1 . 2]" 1
654 1 52 ILE HB 1 52 ILE MD . . 3.130 2.206 2.085 2.285 . 0 0 "[ . 1 . 2]" 1
655 1 52 ILE MD 1 55 ILE HG12 . . 3.570 3.448 3.181 3.572 0.002 7 0 "[ . 1 . 2]" 1
656 1 83 GLY HA3 1 90 VAL MG2 . . 4.760 4.701 4.547 4.763 0.003 3 0 "[ . 1 . 2]" 1
657 1 83 GLY HA2 1 90 VAL MG2 . . 3.560 3.290 3.145 3.365 . 0 0 "[ . 1 . 2]" 1
658 1 55 ILE HA 1 55 ILE MD . . 3.860 3.759 3.675 3.837 . 0 0 "[ . 1 . 2]" 1
659 1 55 ILE MD 1 66 VAL HA . . 4.700 4.553 4.358 4.685 . 0 0 "[ . 1 . 2]" 1
660 1 39 ASP HA 1 55 ILE MD . . 4.340 3.799 3.584 3.977 . 0 0 "[ . 1 . 2]" 1
661 1 43 ARG HA 1 55 ILE MD . . 3.780 2.173 2.021 2.376 . 0 0 "[ . 1 . 2]" 1
662 1 42 MET HB2 1 55 ILE MD . . 3.610 2.841 2.484 3.102 . 0 0 "[ . 1 . 2]" 1
663 1 43 ARG QB 1 55 ILE MD . . 3.330 2.171 1.917 2.470 . 0 0 "[ . 1 . 2]" 1
664 1 42 MET HB3 1 55 ILE MD . . 3.320 2.980 2.673 3.260 . 0 0 "[ . 1 . 2]" 1
665 1 55 ILE HB 1 55 ILE MD . . 2.930 2.456 2.356 2.591 . 0 0 "[ . 1 . 2]" 1
666 1 52 ILE MG 1 55 ILE MD . . 3.220 2.269 1.941 2.657 . 0 0 "[ . 1 . 2]" 1
667 1 55 ILE MD 1 66 VAL MG2 . . 3.280 3.123 2.761 3.284 0.004 15 0 "[ . 1 . 2]" 1
668 1 55 ILE MD 1 66 VAL MG1 . . 3.980 3.237 2.898 3.487 . 0 0 "[ . 1 . 2]" 1
669 1 86 ILE MD 1 91 VAL HB . . 4.580 3.595 3.218 4.041 . 0 0 "[ . 1 . 2]" 1
670 1 42 MET ME 1 86 ILE MD . . 3.710 2.494 2.315 2.767 . 0 0 "[ . 1 . 2]" 1
671 1 46 PHE QD 1 55 ILE MD . . 4.890 3.553 3.241 3.986 . 0 0 "[ . 1 . 2]" 1
672 1 50 GLY HA2 1 68 PHE QD . . 5.080 4.616 4.082 5.000 . 0 0 "[ . 1 . 2]" 1
673 1 50 GLY HA2 1 68 PHE QE . . 5.320 4.114 3.472 4.553 . 0 0 "[ . 1 . 2]" 1
674 1 85 THR MG 1 88 GLY HA2 . . 3.840 2.230 2.054 2.420 . 0 0 "[ . 1 . 2]" 1
675 1 85 THR MG 1 88 GLY HA3 . . 3.840 3.554 3.351 3.745 . 0 0 "[ . 1 . 2]" 1
676 1 27 THR MG 1 96 GLY HA2 . . 4.410 3.222 1.939 3.597 . 0 0 "[ . 1 . 2]" 1
677 1 27 THR MG 1 96 GLY HA3 . . 4.410 1.970 1.848 2.209 . 0 0 "[ . 1 . 2]" 1
678 1 31 GLY HA2 1 63 TYR HB3 . . 4.050 3.372 3.007 3.714 . 0 0 "[ . 1 . 2]" 1
679 1 31 GLY HA3 1 63 TYR HB2 . . 4.450 3.569 3.097 3.832 . 0 0 "[ . 1 . 2]" 1
680 1 56 ARG HD2 1 58 PHE HZ . . 4.640 2.831 2.266 3.602 . 0 0 "[ . 1 . 2]" 1
681 1 56 ARG HD3 1 58 PHE HZ . . 4.640 4.089 3.038 4.554 . 0 0 "[ . 1 . 2]" 1
682 1 12 LEU HB2 1 13 ARG H . . 4.520 4.220 3.899 4.438 . 0 0 "[ . 1 . 2]" 1
683 1 12 LEU HB3 1 79 VAL HA . . 4.650 4.061 3.123 4.490 . 0 0 "[ . 1 . 2]" 1
684 1 12 LEU HB3 1 79 VAL MG1 . . 3.640 3.281 2.553 3.633 . 0 0 "[ . 1 . 2]" 1
685 1 34 ALA MB 1 89 HIS HE1 . . 4.030 4.000 3.904 4.036 0.006 6 0 "[ . 1 . 2]" 1
686 1 75 ALA H 1 78 ILE MD . . 4.470 4.012 3.719 4.312 . 0 0 "[ . 1 . 2]" 1
687 1 78 ILE MD 1 95 TRP HE3 . . 4.630 3.516 3.368 3.676 . 0 0 "[ . 1 . 2]" 1
688 1 78 ILE H 1 78 ILE MD . . 3.790 3.548 3.432 3.681 . 0 0 "[ . 1 . 2]" 1
689 1 78 ILE MD 1 79 VAL H . . 4.810 4.250 4.046 4.421 . 0 0 "[ . 1 . 2]" 1
690 1 78 ILE MD 1 95 TRP HZ2 . . 4.470 3.118 2.801 3.419 . 0 0 "[ . 1 . 2]" 1
691 1 78 ILE MD 1 95 TRP HA . . 3.460 3.099 2.948 3.225 . 0 0 "[ . 1 . 2]" 1
692 1 78 ILE MD 1 94 TYR HA . . 3.740 3.566 3.339 3.731 . 0 0 "[ . 1 . 2]" 1
693 1 75 ALA HA 1 78 ILE MD . . 3.360 2.522 2.317 2.823 . 0 0 "[ . 1 . 2]" 1
694 1 78 ILE HA 1 78 ILE MD . . 3.920 3.819 3.785 3.860 . 0 0 "[ . 1 . 2]" 1
695 1 17 VAL MG1 1 78 ILE MD . . 4.210 2.465 2.205 2.677 . 0 0 "[ . 1 . 2]" 1
696 1 17 VAL MG2 1 78 ILE MD . . 4.210 4.087 3.908 4.208 . 0 0 "[ . 1 . 2]" 1
697 1 28 VAL MG2 1 78 ILE MD . . 3.210 2.179 1.943 2.391 . 0 0 "[ . 1 . 2]" 1
698 1 78 ILE MD 1 78 ILE MG . . 2.880 2.090 1.936 2.250 . 0 0 "[ . 1 . 2]" 1
699 1 78 ILE MD 1 95 TRP HD1 . . 4.570 4.056 3.790 4.328 . 0 0 "[ . 1 . 2]" 1
700 1 43 ARG QB 1 43 ARG HD2 . . 3.720 2.501 1.968 3.268 . 0 0 "[ . 1 . 2]" 1
701 1 43 ARG QB 1 43 ARG HD3 . . 3.720 2.481 1.993 3.297 . 0 0 "[ . 1 . 2]" 1
702 1 71 HIS HE1 1 95 TRP HZ2 . . 4.270 3.803 3.108 4.164 . 0 0 "[ . 1 . 2]" 1
703 1 23 PRO HA 1 71 HIS HE1 . . 4.240 3.883 3.228 4.230 . 0 0 "[ . 1 . 2]" 1
704 1 21 SER HB3 1 71 HIS HE1 . . 5.210 3.639 2.408 4.521 . 0 0 "[ . 1 . 2]" 1
705 1 56 ARG QG 1 65 PHE QB . . 4.080 3.675 3.511 3.811 . 0 0 "[ . 1 . 2]" 1
706 1 27 THR MG 1 65 PHE QB . . 3.690 3.608 3.362 3.699 0.009 4 0 "[ . 1 . 2]" 1
707 1 63 TYR HB2 1 64 SER H . . 3.980 2.434 2.300 2.633 . 0 0 "[ . 1 . 2]" 1
708 1 31 GLY HA2 1 63 TYR HB2 . . 4.050 3.083 2.642 3.264 . 0 0 "[ . 1 . 2]" 1
709 1 31 GLY HA3 1 63 TYR HB3 . . 4.450 3.815 3.608 4.136 . 0 0 "[ . 1 . 2]" 1
710 1 41 LEU HB2 1 41 LEU MD1 . . 3.370 2.359 2.235 2.442 . 0 0 "[ . 1 . 2]" 1
711 1 38 THR HB 1 39 ASP H . . 3.930 3.032 2.837 3.232 . 0 0 "[ . 1 . 2]" 1
712 1 13 ARG H 1 16 ASP HB3 . . 4.450 3.639 3.236 4.158 . 0 0 "[ . 1 . 2]" 1
713 1 16 ASP HB3 1 17 VAL H . . 3.780 2.847 2.319 3.479 . 0 0 "[ . 1 . 2]" 1
714 1 16 ASP H 1 16 ASP HB3 . . 3.700 3.012 2.553 3.426 . 0 0 "[ . 1 . 2]" 1
715 1 37 LEU HB2 1 37 LEU HG . . 2.830 2.304 2.268 2.380 . 0 0 "[ . 1 . 2]" 1
716 1 33 ILE MG 1 37 LEU HB2 . . 3.570 2.298 2.022 2.903 . 0 0 "[ . 1 . 2]" 1
717 1 37 LEU HB3 1 59 PRO HA . . 3.750 2.999 2.747 3.307 . 0 0 "[ . 1 . 2]" 1
718 1 37 LEU HB3 1 37 LEU MD1 . . 3.410 2.088 2.005 2.232 . 0 0 "[ . 1 . 2]" 1
719 1 70 THR HB 1 71 HIS H . . 4.440 2.721 2.214 3.749 . 0 0 "[ . 1 . 2]" 1
720 1 39 ASP QB 1 57 VAL MG2 . . 3.530 3.304 3.084 3.516 . 0 0 "[ . 1 . 2]" 1
721 1 29 TYR HB3 1 65 PHE QE . . 4.760 4.498 4.316 4.726 . 0 0 "[ . 1 . 2]" 1
722 1 29 TYR H 1 29 TYR HB2 . . 3.560 2.849 2.770 2.997 . 0 0 "[ . 1 . 2]" 1
723 1 29 TYR HB2 1 94 TYR H . . 4.270 4.241 4.177 4.285 0.015 9 0 "[ . 1 . 2]" 1
724 1 86 ILE H 1 86 ILE HB . . 3.530 2.489 2.361 2.586 . 0 0 "[ . 1 . 2]" 1
725 1 86 ILE HB 1 91 VAL MG1 . . 3.270 2.221 1.891 2.427 . 0 0 "[ . 1 . 2]" 1
726 1 86 ILE HB 1 86 ILE MD . . 3.250 2.340 2.150 2.631 . 0 0 "[ . 1 . 2]" 1
727 1 82 ASN HB2 1 93 CYS QB . . 3.550 2.678 2.307 2.839 . 0 0 "[ . 1 . 2]" 1
728 1 49 PHE HB3 1 68 PHE QE . . 4.420 3.429 3.233 3.752 . 0 0 "[ . 1 . 2]" 1
729 1 49 PHE HB3 1 77 ALA MB . . 4.000 2.012 1.940 2.187 . 0 0 "[ . 1 . 2]" 1
730 1 49 PHE H 1 49 PHE HB2 . . 3.350 2.266 2.217 2.323 . 0 0 "[ . 1 . 2]" 1
731 1 49 PHE HB2 1 68 PHE QE . . 3.990 3.749 3.438 3.986 . 0 0 "[ . 1 . 2]" 1
732 1 14 PHE HB2 1 15 GLU H . . 4.320 3.986 3.880 4.200 . 0 0 "[ . 1 . 2]" 1
733 1 81 VAL HA 1 84 THR HB . . 4.490 3.845 3.573 4.005 . 0 0 "[ . 1 . 2]" 1
734 1 81 VAL MG1 1 84 THR HB . . 5.500 4.314 3.995 4.525 . 0 0 "[ . 1 . 2]" 1
735 1 81 VAL MG2 1 84 THR HB . . 5.500 4.959 4.719 5.139 . 0 0 "[ . 1 . 2]" 1
736 1 84 THR HB 1 86 ILE MD . . 5.500 4.542 4.215 4.784 . 0 0 "[ . 1 . 2]" 1
737 1 28 VAL MG1 1 94 TYR QB . . 5.500 5.209 5.056 5.342 . 0 0 "[ . 1 . 2]" 1
738 1 78 ILE MG 1 94 TYR QB . . 5.500 4.805 4.595 5.019 . 0 0 "[ . 1 . 2]" 1
739 1 51 GLN HA 1 52 ILE HB . . 4.820 4.704 4.596 4.813 . 0 0 "[ . 1 . 2]" 1
740 1 78 ILE H 1 78 ILE HB . . 3.470 2.409 2.339 2.524 . 0 0 "[ . 1 . 2]" 1
741 1 17 VAL MG1 1 78 ILE HB . . 4.440 2.403 2.177 2.571 . 0 0 "[ . 1 . 2]" 1
742 1 78 ILE HB 1 78 ILE MD . . 3.470 2.305 2.192 2.414 . 0 0 "[ . 1 . 2]" 1
743 1 14 PHE HZ 1 72 GLU HG2 . . 4.090 2.452 2.059 3.080 . 0 0 "[ . 1 . 2]" 1
744 1 14 PHE HZ 1 72 GLU HG3 . . 4.090 3.426 2.195 4.071 . 0 0 "[ . 1 . 2]" 1
745 1 94 TYR HA 1 94 TYR QD . . 3.850 2.190 2.079 2.397 . 0 0 "[ . 1 . 2]" 1
746 1 92 LYS QD 1 94 TYR QD . . 4.760 4.300 3.538 4.747 . 0 0 "[ . 1 . 2]" 1
747 1 78 ILE MG 1 94 TYR QD . . 4.550 4.126 3.864 4.275 . 0 0 "[ . 1 . 2]" 1
748 1 45 THR HB 1 86 ILE MD . . 4.320 3.834 3.392 4.054 . 0 0 "[ . 1 . 2]" 1
749 1 61 LYS HB2 1 63 TYR QD . . 3.950 2.481 2.074 3.332 . 0 0 "[ . 1 . 2]" 1
750 1 61 LYS HB3 1 63 TYR QD . . 3.950 2.321 2.006 2.722 . 0 0 "[ . 1 . 2]" 1
751 1 58 PHE QD 1 63 TYR QD . . 4.370 3.591 2.955 4.151 . 0 0 "[ . 1 . 2]" 1
752 1 58 PHE HA 1 58 PHE QD . . 4.130 2.994 2.781 3.094 . 0 0 "[ . 1 . 2]" 1
753 1 57 VAL HA 1 58 PHE QD . . 4.440 3.505 3.135 3.844 . 0 0 "[ . 1 . 2]" 1
754 1 41 LEU MD1 1 87 GLU HG3 . . 3.800 3.275 2.076 3.734 . 0 0 "[ . 1 . 2]" 1
755 1 87 GLU HA 1 87 GLU HG2 . . 3.850 2.792 2.609 3.064 . 0 0 "[ . 1 . 2]" 1
756 1 41 LEU MD1 1 87 GLU HG2 . . 3.920 3.414 3.010 3.702 . 0 0 "[ . 1 . 2]" 1
757 1 39 ASP HA 1 42 MET HB2 . . 4.200 3.144 2.965 3.314 . 0 0 "[ . 1 . 2]" 1
758 1 42 MET HB2 1 55 ILE MG . . 3.350 2.380 2.044 2.578 . 0 0 "[ . 1 . 2]" 1
759 1 42 MET HB2 1 42 MET HG2 . . 2.790 2.449 2.412 2.560 . 0 0 "[ . 1 . 2]" 1
760 1 42 MET HB3 1 46 PHE QD . . 4.380 2.560 2.342 2.839 . 0 0 "[ . 1 . 2]" 1
761 1 42 MET HB3 1 45 THR HB . . 5.390 4.557 4.309 4.818 . 0 0 "[ . 1 . 2]" 1
762 1 42 MET HB3 1 55 ILE MG . . 3.410 2.805 2.472 3.244 . 0 0 "[ . 1 . 2]" 1
763 1 37 LEU MD1 1 64 SER HB2 . . 3.340 2.399 2.095 2.961 . 0 0 "[ . 1 . 2]" 1
764 1 64 SER H 1 64 SER HB2 . . 3.780 3.346 3.188 3.553 . 0 0 "[ . 1 . 2]" 1
765 1 64 SER HB2 1 65 PHE H . . 4.210 3.722 3.501 4.071 . 0 0 "[ . 1 . 2]" 1
766 1 42 MET HG3 1 64 SER HB2 . . 3.700 3.111 2.918 3.304 . 0 0 "[ . 1 . 2]" 1
767 1 42 MET HG2 1 64 SER HB2 . . 4.130 4.065 3.904 4.131 0.001 15 0 "[ . 1 . 2]" 1
768 1 64 SER H 1 64 SER HB3 . . 3.550 2.847 2.703 3.010 . 0 0 "[ . 1 . 2]" 1
769 1 57 VAL HA 1 64 SER HB3 . . 4.040 3.971 3.843 4.045 0.005 20 0 "[ . 1 . 2]" 1
770 1 42 MET HG3 1 64 SER HB3 . . 3.680 2.944 2.739 3.210 . 0 0 "[ . 1 . 2]" 1
771 1 30 CYS HB2 1 64 SER HB3 . . 4.440 3.483 2.943 4.430 . 0 0 "[ . 1 . 2]" 1
772 1 42 MET HG2 1 64 SER HB3 . . 4.920 4.187 3.949 4.378 . 0 0 "[ . 1 . 2]" 1
773 1 37 LEU MD2 1 64 SER HB3 . . 4.090 3.303 2.995 3.489 . 0 0 "[ . 1 . 2]" 1
774 1 37 LEU MD1 1 64 SER HB3 . . 4.380 3.851 3.598 4.146 . 0 0 "[ . 1 . 2]" 1
775 1 57 VAL MG1 1 64 SER HB3 . . 4.840 4.172 4.024 4.371 . 0 0 "[ . 1 . 2]" 1
776 1 33 ILE HB 1 37 LEU HB2 . . 3.910 3.273 3.050 3.649 . 0 0 "[ . 1 . 2]" 1
777 1 46 PHE H 1 46 PHE QD . . 4.470 3.129 2.809 3.380 . 0 0 "[ . 1 . 2]" 1
778 1 42 MET HA 1 46 PHE QD . . 4.480 3.331 3.107 3.537 . 0 0 "[ . 1 . 2]" 1
779 1 45 THR HB 1 46 PHE QD . . 4.460 3.860 3.372 4.088 . 0 0 "[ . 1 . 2]" 1
780 1 46 PHE HA 1 46 PHE QE . . 4.540 4.402 4.330 4.521 . 0 0 "[ . 1 . 2]" 1
781 1 14 PHE QE 1 76 HIS HA . . 4.240 3.883 3.245 4.212 . 0 0 "[ . 1 . 2]" 1
782 1 14 PHE QE 1 18 VAL MG2 . . 4.040 3.193 2.336 3.614 . 0 0 "[ . 1 . 2]" 1
783 1 46 PHE QD 1 68 PHE QE . . 4.640 3.501 3.040 3.753 . 0 0 "[ . 1 . 2]" 1
784 1 68 PHE QD 1 73 SER HB3 . . 4.310 2.792 1.997 4.059 . 0 0 "[ . 1 . 2]" 1
785 1 14 PHE QD 1 15 GLU H . . 4.400 3.080 2.455 3.391 . 0 0 "[ . 1 . 2]" 1
786 1 14 PHE QD 1 15 GLU HG3 . . 4.750 2.868 2.438 3.567 . 0 0 "[ . 1 . 2]" 1
787 1 14 PHE QD 1 75 ALA MB . . 3.800 2.684 2.297 3.125 . 0 0 "[ . 1 . 2]" 1
788 1 14 PHE QD 1 79 VAL MG2 . . 4.070 2.841 2.485 3.269 . 0 0 "[ . 1 . 2]" 1
789 1 14 PHE QD 1 18 VAL MG1 . . 4.960 3.233 2.907 4.869 . 0 0 "[ . 1 . 2]" 1
790 1 31 GLY H 1 92 LYS HB2 . . 4.940 3.338 2.751 4.520 . 0 0 "[ . 1 . 2]" 1
791 1 92 LYS HB2 1 94 TYR QE . . 4.850 3.288 2.542 3.805 . 0 0 "[ . 1 . 2]" 1
792 1 92 LYS H 1 92 LYS HB2 . . 3.860 2.859 2.412 3.820 . 0 0 "[ . 1 . 2]" 1
793 1 92 LYS HB3 1 94 TYR QE . . 4.850 2.780 1.998 3.955 . 0 0 "[ . 1 . 2]" 1
794 1 37 LEU MD2 1 57 VAL HB . . 3.850 1.985 1.886 2.183 . 0 0 "[ . 1 . 2]" 1
795 1 45 THR HA 1 45 THR MG . . 3.200 2.452 2.339 2.504 . 0 0 "[ . 1 . 2]" 1
796 1 28 VAL MG2 1 66 VAL HB . . 3.760 3.594 3.469 3.754 . 0 0 "[ . 1 . 2]" 1
797 1 28 VAL MG1 1 66 VAL HB . . 3.640 2.867 2.483 3.189 . 0 0 "[ . 1 . 2]" 1
798 1 78 ILE HA 1 78 ILE MG . . 3.230 2.442 2.384 2.501 . 0 0 "[ . 1 . 2]" 1
799 1 78 ILE HA 1 82 ASN H . . 4.660 3.358 2.870 3.662 . 0 0 "[ . 1 . 2]" 1
800 1 78 ILE HA 1 93 CYS QB . . 3.380 1.998 1.956 2.059 . 0 0 "[ . 1 . 2]" 1
801 1 78 ILE HA 1 78 ILE HG13 . . 3.210 2.798 2.655 2.965 . 0 0 "[ . 1 . 2]" 1
802 1 28 VAL MG2 1 78 ILE HA . . 4.850 4.501 4.281 4.715 . 0 0 "[ . 1 . 2]" 1
803 1 78 ILE HA 1 78 ILE HG12 . . 3.420 2.544 2.458 2.619 . 0 0 "[ . 1 . 2]" 1
804 1 20 GLN HA 1 20 GLN HG3 . . 3.840 3.080 2.432 3.785 . 0 0 "[ . 1 . 2]" 1
805 1 28 VAL HB 1 66 VAL HB . . 3.580 2.073 1.997 2.227 . 0 0 "[ . 1 . 2]" 1
806 1 37 LEU HB2 1 59 PRO HA . . 3.290 3.003 2.812 3.191 . 0 0 "[ . 1 . 2]" 1
807 1 37 LEU MD2 1 59 PRO HA . . 4.870 4.706 4.443 4.870 . 0 0 "[ . 1 . 2]" 1
808 1 37 LEU MD1 1 59 PRO HA . . 3.310 2.509 1.979 2.788 . 0 0 "[ . 1 . 2]" 1
809 1 17 VAL HA 1 17 VAL MG2 . . 3.380 2.268 2.142 2.385 . 0 0 "[ . 1 . 2]" 1
810 1 44 GLN H 1 44 GLN QG . . 3.920 3.900 3.829 3.933 0.013 2 0 "[ . 1 . 2]" 1
811 1 44 GLN QG 1 47 SER QB . . 4.090 3.385 3.250 3.579 . 0 0 "[ . 1 . 2]" 1
812 1 11 GLN HA 1 11 GLN QG . . 3.710 2.556 2.005 3.374 . 0 0 "[ . 1 . 2]" 1
813 1 91 VAL HB 1 92 LYS H . . 3.180 2.702 2.400 2.837 . 0 0 "[ . 1 . 2]" 1
814 1 30 CYS HG 1 91 VAL HB . . 4.180 2.450 2.036 3.151 . 0 0 "[ . 1 . 2]" 1
815 1 30 CYS HB3 1 46 PHE HZ . . 4.370 4.213 3.731 4.373 0.003 10 0 "[ . 1 . 2]" 1
816 1 30 CYS HG 1 46 PHE HZ . . 4.650 3.560 2.271 4.430 . 0 0 "[ . 1 . 2]" 1
817 1 12 LEU HB2 1 79 VAL HA . . 3.700 2.882 2.213 3.163 . 0 0 "[ . 1 . 2]" 1
818 1 78 ILE HB 1 79 VAL HA . . 5.440 4.304 4.161 4.404 . 0 0 "[ . 1 . 2]" 1
819 1 79 VAL HA 1 79 VAL MG1 . . 2.860 2.263 2.117 2.407 . 0 0 "[ . 1 . 2]" 1
820 1 78 ILE MG 1 79 VAL HA . . 4.070 3.187 2.911 3.382 . 0 0 "[ . 1 . 2]" 1
821 1 54 GLU H 1 67 ARG HB2 . . 4.320 3.153 2.878 3.478 . 0 0 "[ . 1 . 2]" 1
822 1 14 PHE HZ 1 75 ALA MB . . 4.250 3.732 3.301 4.146 . 0 0 "[ . 1 . 2]" 1
823 1 14 PHE HZ 1 18 VAL MG1 . . 4.730 3.178 2.416 4.063 . 0 0 "[ . 1 . 2]" 1
824 1 14 PHE HZ 1 72 GLU HB3 . . 4.400 3.723 2.721 4.332 . 0 0 "[ . 1 . 2]" 1
825 1 18 VAL HA 1 75 ALA MB . . 3.150 2.909 2.583 3.161 0.011 6 0 "[ . 1 . 2]" 1
826 1 56 ARG QB 1 65 PHE QD . . 3.780 2.677 2.542 2.870 . 0 0 "[ . 1 . 2]" 1
827 1 56 ARG QB 1 58 PHE QE . . 3.730 2.145 1.988 2.345 . 0 0 "[ . 1 . 2]" 1
828 1 56 ARG QB 1 65 PHE QB . . 3.590 2.048 1.948 2.205 . 0 0 "[ . 1 . 2]" 1
829 1 34 ALA MB 1 35 SER QB . . 4.530 3.463 3.156 3.849 . 0 0 "[ . 1 . 2]" 1
830 1 35 SER QB 1 36 GLY H . . 4.540 3.623 3.034 4.021 . 0 0 "[ . 1 . 2]" 1
831 1 56 ARG QB 1 58 PHE HZ . . 4.560 4.139 3.314 4.514 . 0 0 "[ . 1 . 2]" 1
832 1 21 SER HB3 1 25 ASN HD21 . . 4.500 3.121 2.142 4.273 . 0 0 "[ . 1 . 2]" 1
833 1 77 ALA HA 1 80 SER HB2 . . 4.360 3.445 2.897 4.250 . 0 0 "[ . 1 . 2]" 1
834 1 42 MET HG3 1 55 ILE MG . . 3.350 3.194 2.852 3.348 . 0 0 "[ . 1 . 2]" 1
835 1 42 MET H 1 42 MET HG3 . . 3.940 3.667 3.419 3.763 . 0 0 "[ . 1 . 2]" 1
836 1 42 MET HG3 1 57 VAL MG1 . . 3.390 2.746 2.512 2.932 . 0 0 "[ . 1 . 2]" 1
837 1 49 PHE QE 1 80 SER HB2 . . 3.500 2.681 2.299 3.198 . 0 0 "[ . 1 . 2]" 1
838 1 49 PHE HZ 1 80 SER HB2 . . 3.530 3.128 2.564 3.522 . 0 0 "[ . 1 . 2]" 1
839 1 49 PHE QE 1 80 SER HB3 . . 3.500 2.971 2.284 3.467 . 0 0 "[ . 1 . 2]" 1
840 1 49 PHE HZ 1 80 SER HB3 . . 3.530 2.227 2.018 2.488 . 0 0 "[ . 1 . 2]" 1
841 1 33 ILE HA 1 89 HIS HB3 . . 3.960 2.790 2.613 2.976 . 0 0 "[ . 1 . 2]" 1
842 1 89 HIS HB2 1 91 VAL MG1 . . 3.930 3.736 3.519 3.868 . 0 0 "[ . 1 . 2]" 1
843 1 33 ILE HG12 1 89 HIS HB2 . . 3.910 3.463 3.196 3.922 0.012 5 0 "[ . 1 . 2]" 1
844 1 33 ILE HA 1 89 HIS HB2 . . 4.160 3.025 2.825 3.243 . 0 0 "[ . 1 . 2]" 1
845 1 81 VAL H 1 81 VAL HB . . 3.610 2.608 2.501 2.704 . 0 0 "[ . 1 . 2]" 1
846 1 46 PHE QE 1 81 VAL HB . . 3.940 3.568 3.224 3.791 . 0 0 "[ . 1 . 2]" 1
847 1 37 LEU HB3 1 59 PRO HB2 . . 5.070 4.147 3.968 4.423 . 0 0 "[ . 1 . 2]" 1
848 1 77 ALA MB 1 81 VAL HB . . 5.500 3.867 3.614 4.188 . 0 0 "[ . 1 . 2]" 1
849 1 81 VAL HB 1 84 THR MG . . 5.500 4.459 4.282 4.709 . 0 0 "[ . 1 . 2]" 1
850 1 37 LEU HB3 1 59 PRO HB3 . . 4.540 2.446 2.258 2.701 . 0 0 "[ . 1 . 2]" 1
851 1 13 ARG HB3 1 15 GLU H . . 5.150 2.861 2.508 3.184 . 0 0 "[ . 1 . 2]" 1
852 1 69 SER HB2 1 70 THR MG . . 4.530 3.863 2.941 4.466 . 0 0 "[ . 1 . 2]" 1
853 1 53 MET ME 1 69 SER HB3 . . 4.220 2.887 1.957 3.930 . 0 0 "[ . 1 . 2]" 1
854 1 69 SER HB3 1 70 THR MG . . 4.530 3.645 2.696 4.387 . 0 0 "[ . 1 . 2]" 1
855 1 27 THR HA 1 67 ARG HA . . 2.490 2.265 2.082 2.370 . 0 0 "[ . 1 . 2]" 1
856 1 78 ILE HG12 1 93 CYS QB . . 3.980 2.394 2.029 2.692 . 0 0 "[ . 1 . 2]" 1
857 1 73 SER HA 1 76 HIS HD2 . . 4.280 2.601 2.099 3.375 . 0 0 "[ . 1 . 2]" 1
858 1 81 VAL HA 1 84 THR MG . . 3.370 2.004 1.862 2.278 . 0 0 "[ . 1 . 2]" 1
859 1 81 VAL HA 1 81 VAL MG1 . . 3.380 2.406 2.307 2.486 . 0 0 "[ . 1 . 2]" 1
860 1 78 ILE HG13 1 93 CYS QB . . 4.160 3.645 3.309 4.024 . 0 0 "[ . 1 . 2]" 1
861 1 78 ILE MG 1 93 CYS QB . . 3.300 2.182 1.968 2.517 . 0 0 "[ . 1 . 2]" 1
862 1 90 VAL H 1 90 VAL HA . . 2.940 2.832 2.815 2.857 . 0 0 "[ . 1 . 2]" 1
863 1 90 VAL HA 1 91 VAL H . . 2.830 2.148 2.141 2.164 . 0 0 "[ . 1 . 2]" 1
864 1 85 THR MG 1 90 VAL HA . . 3.630 3.034 2.732 3.508 . 0 0 "[ . 1 . 2]" 1
865 1 90 VAL HA 1 90 VAL MG2 . . 2.960 2.377 2.264 2.537 . 0 0 "[ . 1 . 2]" 1
866 1 26 CYS HB2 1 74 ALA MB . . 3.780 3.599 3.288 3.787 0.007 14 0 "[ . 1 . 2]" 1
867 1 26 CYS HB3 1 68 PHE H . . 4.430 4.240 3.950 4.439 0.009 4 0 "[ . 1 . 2]" 1
868 1 26 CYS HB3 1 74 ALA MB . . 3.780 2.791 2.603 3.155 . 0 0 "[ . 1 . 2]" 1
869 1 53 MET HG3 1 69 SER HA . . 3.860 3.160 2.699 3.657 . 0 0 "[ . 1 . 2]" 1
870 1 14 PHE QE 1 18 VAL HB . . 5.100 4.207 3.388 4.932 . 0 0 "[ . 1 . 2]" 1
871 1 14 PHE HZ 1 18 VAL HB . . 5.500 4.506 3.569 5.201 . 0 0 "[ . 1 . 2]" 1
872 1 47 SER HA 1 47 SER QB . . 2.720 2.267 2.186 2.540 . 0 0 "[ . 1 . 2]" 1
873 1 47 SER QB 1 48 PRO HD2 . . 3.770 2.470 2.427 2.594 . 0 0 "[ . 1 . 2]" 1
874 1 47 SER QB 1 48 PRO QG . . 3.990 3.767 3.609 3.856 . 0 0 "[ . 1 . 2]" 1
875 1 47 SER QB 1 52 ILE MD . . 3.830 3.659 3.317 3.834 0.004 8 0 "[ . 1 . 2]" 1
876 1 53 MET H 1 53 MET HG2 . . 4.290 2.727 2.248 3.188 . 0 0 "[ . 1 . 2]" 1
877 1 53 MET H 1 53 MET HG3 . . 4.290 3.902 3.675 4.190 . 0 0 "[ . 1 . 2]" 1
878 1 53 MET HA 1 53 MET HG3 . . 4.220 3.722 3.684 3.802 . 0 0 "[ . 1 . 2]" 1
879 1 14 PHE HA 1 14 PHE QD . . 3.710 3.002 2.784 3.252 . 0 0 "[ . 1 . 2]" 1
880 1 14 PHE HA 1 17 VAL HB . . 4.230 2.587 2.327 2.831 . 0 0 "[ . 1 . 2]" 1
881 1 28 VAL MG2 1 78 ILE HG13 . . 3.510 2.451 2.163 2.699 . 0 0 "[ . 1 . 2]" 1
882 1 28 VAL MG1 1 78 ILE HG13 . . 3.570 2.862 2.315 3.294 . 0 0 "[ . 1 . 2]" 1
883 1 28 VAL MG2 1 78 ILE HG12 . . 3.680 3.151 2.937 3.403 . 0 0 "[ . 1 . 2]" 1
884 1 28 VAL MG1 1 78 ILE HG12 . . 3.670 2.667 2.018 3.208 . 0 0 "[ . 1 . 2]" 1
885 1 95 TRP HB3 1 96 GLY H . . 4.400 4.031 3.769 4.157 . 0 0 "[ . 1 . 2]" 1
886 1 95 TRP HB3 1 95 TRP HE3 . . 3.660 2.929 2.862 3.022 . 0 0 "[ . 1 . 2]" 1
887 1 95 TRP H 1 95 TRP HB3 . . 3.670 3.558 3.532 3.590 . 0 0 "[ . 1 . 2]" 1
888 1 25 ASN HD21 1 95 TRP HB3 . . 4.570 4.550 4.378 4.587 0.017 14 0 "[ . 1 . 2]" 1
889 1 25 ASN HD22 1 95 TRP HB3 . . 4.050 3.807 3.736 3.855 . 0 0 "[ . 1 . 2]" 1
890 1 95 TRP HB2 1 95 TRP HD1 . . 3.730 2.550 2.546 2.557 . 0 0 "[ . 1 . 2]" 1
891 1 49 PHE QD 1 76 HIS HB3 . . 4.250 3.070 2.758 3.519 . 0 0 "[ . 1 . 2]" 1
892 1 52 ILE HA 1 52 ILE MD . . 4.370 3.925 3.870 3.964 . 0 0 "[ . 1 . 2]" 1
893 1 52 ILE HA 1 53 MET H . . 3.090 2.215 2.147 2.331 . 0 0 "[ . 1 . 2]" 1
894 1 52 ILE HA 1 68 PHE QD . . 4.480 4.018 3.777 4.249 . 0 0 "[ . 1 . 2]" 1
895 1 52 ILE HA 1 52 ILE HG13 . . 4.040 2.902 2.798 3.025 . 0 0 "[ . 1 . 2]" 1
896 1 52 ILE HA 1 52 ILE HG12 . . 3.630 2.798 2.621 2.917 . 0 0 "[ . 1 . 2]" 1
897 1 14 PHE QE 1 72 GLU HA . . 3.770 3.058 2.306 3.385 . 0 0 "[ . 1 . 2]" 1
898 1 14 PHE HZ 1 72 GLU HA . . 4.170 3.089 2.171 3.628 . 0 0 "[ . 1 . 2]" 1
899 1 72 GLU HA 1 75 ALA MB . . 3.430 2.705 2.315 2.913 . 0 0 "[ . 1 . 2]" 1
900 1 20 GLN HB2 1 95 TRP HD1 . . 4.120 2.640 2.182 3.170 . 0 0 "[ . 1 . 2]" 1
901 1 20 GLN HB3 1 95 TRP HD1 . . 4.120 2.583 2.085 2.909 . 0 0 "[ . 1 . 2]" 1
902 1 85 THR HA 1 85 THR MG . . 3.260 2.291 2.221 2.390 . 0 0 "[ . 1 . 2]" 1
903 1 85 THR HA 1 91 VAL MG1 . . 4.220 3.751 3.496 4.145 . 0 0 "[ . 1 . 2]" 1
904 1 85 THR HA 1 91 VAL MG2 . . 4.470 3.613 3.422 3.966 . 0 0 "[ . 1 . 2]" 1
905 1 85 THR HA 1 86 ILE H . . 2.940 2.154 2.142 2.204 . 0 0 "[ . 1 . 2]" 1
906 1 85 THR HA 1 90 VAL HA . . 3.210 2.336 2.195 2.460 . 0 0 "[ . 1 . 2]" 1
907 1 46 PHE HA 1 52 ILE MD . . 4.700 4.031 3.773 4.300 . 0 0 "[ . 1 . 2]" 1
908 1 46 PHE HA 1 46 PHE QD . . 3.460 2.343 2.135 2.644 . 0 0 "[ . 1 . 2]" 1
909 1 46 PHE HA 1 49 PHE QD . . 3.010 2.144 2.000 2.301 . 0 0 "[ . 1 . 2]" 1
910 1 46 PHE HA 1 48 PRO HD2 . . 3.760 3.459 3.329 3.548 . 0 0 "[ . 1 . 2]" 1
911 1 79 VAL MG2 1 80 SER HA . . 4.390 3.630 3.302 3.867 . 0 0 "[ . 1 . 2]" 1
912 1 66 VAL HA 1 67 ARG H . . 3.000 2.156 2.142 2.179 . 0 0 "[ . 1 . 2]" 1
913 1 55 ILE HA 1 66 VAL HA . . 3.660 2.830 2.707 2.948 . 0 0 "[ . 1 . 2]" 1
914 1 86 ILE HA 1 87 GLU H . . 3.010 2.143 2.141 2.151 . 0 0 "[ . 1 . 2]" 1
915 1 86 ILE HA 1 87 GLU HA . . 4.550 4.365 4.364 4.367 . 0 0 "[ . 1 . 2]" 1
916 1 86 ILE HA 1 86 ILE HG12 . . 3.740 2.523 2.314 2.692 . 0 0 "[ . 1 . 2]" 1
917 1 86 ILE HA 1 86 ILE HG13 . . 3.740 2.875 2.663 3.236 . 0 0 "[ . 1 . 2]" 1
918 1 86 ILE HA 1 86 ILE MD . . 4.070 3.807 3.620 3.854 . 0 0 "[ . 1 . 2]" 1
919 1 14 PHE QE 1 72 GLU HB2 . . 5.500 5.117 4.589 5.391 . 0 0 "[ . 1 . 2]" 1
920 1 14 PHE HZ 1 72 GLU HB2 . . 5.500 4.816 4.094 5.213 . 0 0 "[ . 1 . 2]" 1
921 1 14 PHE QE 1 72 GLU HB3 . . 4.650 3.842 3.397 4.343 . 0 0 "[ . 1 . 2]" 1
922 1 55 ILE HA 1 55 ILE HG13 . . 3.570 3.089 2.945 3.255 . 0 0 "[ . 1 . 2]" 1
923 1 72 GLU HB3 1 73 SER HA . . 4.470 3.948 3.681 4.214 . 0 0 "[ . 1 . 2]" 1
924 1 51 GLN H 1 51 GLN HB3 . . 3.560 2.949 2.515 3.430 . 0 0 "[ . 1 . 2]" 1
925 1 15 GLU H 1 15 GLU HB2 . . 3.610 2.380 2.250 2.633 . 0 0 "[ . 1 . 2]" 1
926 1 15 GLU HB2 1 16 ASP H . . 4.320 2.946 2.694 3.254 . 0 0 "[ . 1 . 2]" 1
927 1 61 LYS HA 1 61 LYS HD2 . . 4.160 2.623 2.000 3.858 . 0 0 "[ . 1 . 2]" 1
928 1 61 LYS HD3 1 63 TYR QE . . 4.930 4.087 2.788 4.871 . 0 0 "[ . 1 . 2]" 1
929 1 91 VAL HA 1 91 VAL MG1 . . 3.380 2.324 2.198 2.477 . 0 0 "[ . 1 . 2]" 1
930 1 43 ARG HA 1 46 PHE H . . 4.270 3.744 3.558 3.954 . 0 0 "[ . 1 . 2]" 1
931 1 43 ARG HA 1 43 ARG QG . . 3.540 2.364 2.172 2.629 . 0 0 "[ . 1 . 2]" 1
932 1 43 ARG HA 1 52 ILE MD . . 3.110 2.156 1.899 2.324 . 0 0 "[ . 1 . 2]" 1
933 1 30 CYS HB3 1 64 SER HB3 . . 4.220 2.355 2.005 2.955 . 0 0 "[ . 1 . 2]" 1
934 1 30 CYS HB2 1 93 CYS HG . . 4.580 3.465 2.840 4.091 . 0 0 "[ . 1 . 2]" 1
935 1 28 VAL MG1 1 30 CYS HB2 . . 4.180 3.276 2.909 3.722 . 0 0 "[ . 1 . 2]" 1
936 1 30 CYS HB2 1 46 PHE QE . . 3.710 3.086 2.804 3.269 . 0 0 "[ . 1 . 2]" 1
937 1 30 CYS HB2 1 46 PHE HZ . . 3.640 2.762 2.469 3.127 . 0 0 "[ . 1 . 2]" 1
938 1 43 ARG QG 1 55 ILE MD . . 3.340 2.537 2.014 3.164 . 0 0 "[ . 1 . 2]" 1
939 1 28 VAL HA 1 28 VAL MG2 . . 3.090 2.272 2.168 2.421 . 0 0 "[ . 1 . 2]" 1
940 1 28 VAL HA 1 29 TYR H . . 2.990 2.157 2.156 2.159 . 0 0 "[ . 1 . 2]" 1
941 1 28 VAL HA 1 78 ILE MD . . 4.290 2.929 2.649 3.272 . 0 0 "[ . 1 . 2]" 1
942 1 55 ILE HG12 1 55 ILE MG . . 2.820 2.418 2.294 2.525 . 0 0 "[ . 1 . 2]" 1
943 1 55 ILE HA 1 55 ILE HG12 . . 3.640 2.436 2.317 2.547 . 0 0 "[ . 1 . 2]" 1
944 1 55 ILE HG12 1 66 VAL MG2 . . 3.520 2.655 2.158 3.226 . 0 0 "[ . 1 . 2]" 1
945 1 33 ILE HG13 1 86 ILE HB . . 4.480 3.594 3.069 3.858 . 0 0 "[ . 1 . 2]" 1
946 1 55 ILE HG13 1 66 VAL MG1 . . 4.070 3.838 3.543 4.068 . 0 0 "[ . 1 . 2]" 1
947 1 33 ILE H 1 33 ILE HG12 . . 4.220 3.559 3.496 3.660 . 0 0 "[ . 1 . 2]" 1
948 1 57 VAL HA 1 64 SER HB2 . . 3.910 2.526 2.213 2.817 . 0 0 "[ . 1 . 2]" 1
949 1 28 VAL HA 1 28 VAL MG1 . . 3.270 2.416 2.348 2.477 . 0 0 "[ . 1 . 2]" 1
950 1 53 MET HG2 1 69 SER HA . . 3.860 3.577 3.106 3.863 0.003 7 0 "[ . 1 . 2]" 1
951 1 57 VAL HA 1 64 SER HG . . 4.460 3.058 2.015 4.287 . 0 0 "[ . 1 . 2]" 1
952 1 47 SER HA 1 52 ILE HG13 . . 4.360 3.720 3.419 4.161 . 0 0 "[ . 1 . 2]" 1
953 1 14 PHE QD 1 76 HIS HA . . 4.020 3.035 2.638 3.445 . 0 0 "[ . 1 . 2]" 1
954 1 76 HIS HA 1 79 VAL MG2 . . 3.740 2.077 1.925 2.249 . 0 0 "[ . 1 . 2]" 1
955 1 40 GLN HB3 1 41 LEU H . . 4.140 2.693 2.502 3.076 . 0 0 "[ . 1 . 2]" 1
956 1 52 ILE HG13 1 68 PHE QD . . 5.000 4.541 4.236 4.851 . 0 0 "[ . 1 . 2]" 1
957 1 52 ILE HG13 1 68 PHE QE . . 5.180 3.765 3.501 4.066 . 0 0 "[ . 1 . 2]" 1
958 1 52 ILE H 1 52 ILE HG12 . . 4.180 3.935 3.686 4.100 . 0 0 "[ . 1 . 2]" 1
959 1 70 THR HA 1 70 THR MG . . 3.340 2.346 2.152 2.429 . 0 0 "[ . 1 . 2]" 1
960 1 15 GLU HA 1 15 GLU HG2 . . 3.440 2.582 2.162 3.043 . 0 0 "[ . 1 . 2]" 1
961 1 14 PHE QD 1 15 GLU HA . . 4.180 2.970 2.378 3.416 . 0 0 "[ . 1 . 2]" 1
962 1 15 GLU HA 1 15 GLU HG3 . . 3.440 2.857 2.590 3.238 . 0 0 "[ . 1 . 2]" 1
963 1 57 VAL MG2 1 59 PRO HG2 . . 4.480 4.378 4.351 4.409 . 0 0 "[ . 1 . 2]" 1
964 1 37 LEU MD1 1 59 PRO HG3 . . 4.430 4.212 4.006 4.425 . 0 0 "[ . 1 . 2]" 1
965 1 87 GLU HB2 1 89 HIS HD2 . . 4.110 2.360 2.102 2.674 . 0 0 "[ . 1 . 2]" 1
966 1 86 ILE MG 1 87 GLU HB3 . . 4.510 4.084 3.928 4.229 . 0 0 "[ . 1 . 2]" 1
967 1 23 PRO QG 1 24 LYS H . . 4.490 2.348 1.930 2.667 . 0 0 "[ . 1 . 2]" 1
968 1 22 SER HA 1 23 PRO QG . . 4.230 3.960 3.901 4.047 . 0 0 "[ . 1 . 2]" 1
969 1 40 GLN HA 1 43 ARG H . . 3.990 3.696 3.516 3.940 . 0 0 "[ . 1 . 2]" 1
970 1 40 GLN HA 1 40 GLN QG . . 3.610 2.449 2.267 2.955 . 0 0 "[ . 1 . 2]" 1
971 1 40 GLN HA 1 43 ARG QB . . 3.070 2.549 2.257 2.748 . 0 0 "[ . 1 . 2]" 1
972 1 40 GLN HA 1 43 ARG QG . . 4.630 4.425 3.921 4.632 0.002 12 0 "[ . 1 . 2]" 1
973 1 49 PHE HA 1 49 PHE QD . . 3.730 2.202 2.070 2.331 . 0 0 "[ . 1 . 2]" 1
974 1 12 LEU H 1 12 LEU HG . . 4.000 3.503 3.060 3.887 . 0 0 "[ . 1 . 2]" 1
975 1 56 ARG H 1 56 ARG QG . . 4.110 3.988 3.801 4.111 0.001 4 0 "[ . 1 . 2]" 1
976 1 55 ILE H 1 56 ARG QG . . 5.160 4.971 4.503 5.160 0.000 15 0 "[ . 1 . 2]" 1
977 1 56 ARG QG 1 58 PHE HZ . . 4.640 3.622 3.123 4.166 . 0 0 "[ . 1 . 2]" 1
978 1 60 GLU HA 1 60 GLU HG2 . . 3.920 3.627 2.862 3.925 0.005 12 0 "[ . 1 . 2]" 1
979 1 60 GLU HA 1 60 GLU HG3 . . 3.920 3.401 2.471 3.975 0.055 11 0 "[ . 1 . 2]" 1
980 1 37 LEU HG 1 57 VAL HB . . 4.350 4.185 3.982 4.350 . 0 0 "[ . 1 . 2]" 1
981 1 71 HIS HA 1 95 TRP HH2 . . 4.260 3.106 2.796 3.384 . 0 0 "[ . 1 . 2]" 1
982 1 44 GLN HA 1 44 GLN QG . . 3.540 2.209 2.105 2.328 . 0 0 "[ . 1 . 2]" 1
983 1 41 LEU HB3 1 41 LEU MD1 . . 3.370 3.104 2.242 3.196 . 0 0 "[ . 1 . 2]" 1
984 1 37 LEU MD1 1 57 VAL HA . . 4.670 2.621 2.256 3.020 . 0 0 "[ . 1 . 2]" 1
985 1 37 LEU HA 1 37 LEU MD1 . . 3.830 3.770 3.736 3.791 . 0 0 "[ . 1 . 2]" 1
986 1 37 LEU MD1 1 59 PRO HB3 . . 4.330 3.272 2.993 3.445 . 0 0 "[ . 1 . 2]" 1
987 1 37 LEU MD1 1 42 MET ME . . 5.070 4.784 4.665 4.936 . 0 0 "[ . 1 . 2]" 1
988 1 37 LEU HB2 1 37 LEU MD1 . . 3.310 2.613 2.483 2.703 . 0 0 "[ . 1 . 2]" 1
989 1 37 LEU MD1 1 57 VAL HB . . 3.200 2.349 1.978 2.681 . 0 0 "[ . 1 . 2]" 1
990 1 37 LEU MD1 1 62 GLY HA2 . . 3.980 3.269 2.869 3.525 . 0 0 "[ . 1 . 2]" 1
991 1 86 ILE H 1 86 ILE HG13 . . 4.420 2.811 2.607 3.100 . 0 0 "[ . 1 . 2]" 1
992 1 53 MET H 1 68 PHE HA . . 3.710 3.269 2.963 3.636 . 0 0 "[ . 1 . 2]" 1
993 1 68 PHE HA 1 68 PHE QD . . 3.720 3.074 2.992 3.136 . 0 0 "[ . 1 . 2]" 1
994 1 52 ILE HA 1 68 PHE HA . . 3.110 2.803 2.531 3.095 . 0 0 "[ . 1 . 2]" 1
995 1 53 MET HG3 1 68 PHE HA . . 4.950 4.555 3.952 4.908 . 0 0 "[ . 1 . 2]" 1
996 1 26 CYS HA 1 95 TRP HZ3 . . 3.820 2.239 1.995 2.522 . 0 0 "[ . 1 . 2]" 1
997 1 26 CYS HA 1 74 ALA MB . . 4.020 3.865 3.699 4.026 0.006 10 0 "[ . 1 . 2]" 1
998 1 39 ASP HA 1 55 ILE MG . . 2.980 2.468 2.312 2.663 . 0 0 "[ . 1 . 2]" 1
999 1 39 ASP HA 1 42 MET HB3 . . 5.040 4.836 4.627 5.009 . 0 0 "[ . 1 . 2]" 1
1000 1 12 LEU HA 1 12 LEU MD1 . . 4.430 3.821 3.641 3.915 . 0 0 "[ . 1 . 2]" 1
1001 1 82 ASN HA 1 83 GLY HA2 . . 4.500 4.345 4.335 4.366 . 0 0 "[ . 1 . 2]" 1
1002 1 82 ASN HA 1 93 CYS QB . . 3.910 2.625 2.413 2.836 . 0 0 "[ . 1 . 2]" 1
1003 1 41 LEU HA 1 41 LEU HG . . 4.030 3.078 2.484 3.279 . 0 0 "[ . 1 . 2]" 1
1004 1 41 LEU HA 1 44 GLN H . . 3.810 3.657 3.497 3.781 . 0 0 "[ . 1 . 2]" 1
1005 1 40 GLN QG 1 41 LEU HA . . 4.070 3.865 3.546 4.060 . 0 0 "[ . 1 . 2]" 1
1006 1 41 LEU HA 1 44 GLN HB2 . . 3.810 3.658 3.389 3.787 . 0 0 "[ . 1 . 2]" 1
1007 1 41 LEU HA 1 44 GLN HB3 . . 3.710 3.391 3.090 3.602 . 0 0 "[ . 1 . 2]" 1
1008 1 82 ASN HA 1 92 LYS HA . . 4.050 3.396 3.083 3.650 . 0 0 "[ . 1 . 2]" 1
1009 1 95 TRP HA 1 95 TRP HE3 . . 3.740 2.407 2.234 2.526 . 0 0 "[ . 1 . 2]" 1
1010 1 42 MET HA 1 45 THR HB . . 3.620 2.413 2.179 2.660 . 0 0 "[ . 1 . 2]" 1
1011 1 42 MET HA 1 42 MET HG2 . . 4.120 2.990 2.799 3.136 . 0 0 "[ . 1 . 2]" 1
1012 1 61 LYS H 1 61 LYS HG2 . . 4.580 3.274 2.183 4.605 0.025 2 0 "[ . 1 . 2]" 1
1013 1 61 LYS HA 1 61 LYS HG2 . . 3.940 3.269 2.990 3.645 . 0 0 "[ . 1 . 2]" 1
1014 1 61 LYS H 1 61 LYS HG3 . . 4.580 3.894 3.470 4.531 . 0 0 "[ . 1 . 2]" 1
1015 1 30 CYS HA 1 93 CYS HG . . 4.380 3.212 2.830 3.544 . 0 0 "[ . 1 . 2]" 1
1016 1 30 CYS HA 1 93 CYS HA . . 3.530 2.845 2.697 3.004 . 0 0 "[ . 1 . 2]" 1
1017 1 37 LEU HA 1 37 LEU HG . . 3.490 2.822 2.694 2.921 . 0 0 "[ . 1 . 2]" 1
1018 1 29 TYR HA 1 29 TYR QD . . 4.550 3.065 2.948 3.154 . 0 0 "[ . 1 . 2]" 1
1019 1 22 SER HA 1 23 PRO HD2 . . 3.160 2.333 2.232 2.472 . 0 0 "[ . 1 . 2]" 1
1020 1 20 GLN HA 1 20 GLN HG2 . . 3.840 2.374 2.052 2.998 . 0 0 "[ . 1 . 2]" 1
1021 1 54 GLU HA 1 54 GLU HG2 . . 3.590 3.126 2.548 3.590 . 0 0 "[ . 1 . 2]" 1
1022 1 54 GLU HA 1 55 ILE HB . . 4.810 4.501 4.405 4.679 . 0 0 "[ . 1 . 2]" 1
1023 1 29 TYR QD 1 93 CYS HA . . 4.450 4.109 3.751 4.393 . 0 0 "[ . 1 . 2]" 1
1024 1 93 CYS HA 1 93 CYS HG . . 4.060 2.466 2.275 2.613 . 0 0 "[ . 1 . 2]" 1
1025 1 28 VAL MG1 1 93 CYS HA . . 4.480 3.252 3.122 3.349 . 0 0 "[ . 1 . 2]" 1
1026 1 78 ILE HG12 1 94 TYR HA . . 4.420 4.178 3.924 4.413 . 0 0 "[ . 1 . 2]" 1
1027 1 10 LYS HA 1 10 LYS QD . . 2.920 2.508 2.088 2.873 . 0 0 "[ . 1 . 2]" 1
1028 1 97 LYS HA 1 97 LYS QG . . 3.580 2.270 2.010 3.391 . 0 0 "[ . 1 . 2]" 1
1029 1 24 LYS HA 1 24 LYS QG . . 3.370 2.726 2.017 3.406 0.036 2 0 "[ . 1 . 2]" 1
1030 1 17 VAL MG1 1 18 VAL H . . 4.260 3.425 3.070 3.633 . 0 0 "[ . 1 . 2]" 1
1031 1 17 VAL HA 1 17 VAL MG1 . . 3.380 2.455 2.395 2.524 . 0 0 "[ . 1 . 2]" 1
1032 1 27 THR MG 1 65 PHE HA . . 4.390 3.907 3.715 4.207 . 0 0 "[ . 1 . 2]" 1
1033 1 29 TYR HA 1 65 PHE HA . . 3.800 2.953 2.827 3.173 . 0 0 "[ . 1 . 2]" 1
1034 1 65 PHE HA 1 65 PHE QD . . 3.780 2.156 1.996 2.350 . 0 0 "[ . 1 . 2]" 1
1035 1 51 GLN HA 1 52 ILE HG13 . . 3.870 3.395 3.256 3.636 . 0 0 "[ . 1 . 2]" 1
1036 1 37 LEU H 1 37 LEU MD2 . . 4.180 4.122 4.083 4.161 . 0 0 "[ . 1 . 2]" 1
1037 1 37 LEU MD2 1 42 MET H . . 4.820 3.995 3.729 4.271 . 0 0 "[ . 1 . 2]" 1
1038 1 37 LEU HA 1 37 LEU MD2 . . 3.130 2.023 1.911 2.131 . 0 0 "[ . 1 . 2]" 1
1039 1 37 LEU MD2 1 64 SER HB2 . . 3.750 2.080 1.930 2.199 . 0 0 "[ . 1 . 2]" 1
1040 1 37 LEU MD2 1 64 SER HG . . 4.500 3.630 2.600 4.273 . 0 0 "[ . 1 . 2]" 1
1041 1 37 LEU MD2 1 42 MET HG3 . . 3.830 3.001 2.677 3.283 . 0 0 "[ . 1 . 2]" 1
1042 1 37 LEU MD2 1 42 MET HG2 . . 3.470 2.674 2.518 2.939 . 0 0 "[ . 1 . 2]" 1
1043 1 37 LEU HB2 1 37 LEU MD2 . . 3.490 3.142 3.115 3.169 . 0 0 "[ . 1 . 2]" 1
1044 1 33 ILE HB 1 37 LEU MD2 . . 3.540 3.258 2.908 3.446 . 0 0 "[ . 1 . 2]" 1
1045 1 37 LEU HB3 1 37 LEU MD2 . . 3.010 2.581 2.483 2.663 . 0 0 "[ . 1 . 2]" 1
1046 1 81 VAL MG1 1 82 ASN H . . 4.590 3.572 3.161 3.861 . 0 0 "[ . 1 . 2]" 1
1047 1 46 PHE QE 1 81 VAL MG1 . . 3.480 3.337 3.068 3.483 0.003 5 0 "[ . 1 . 2]" 1
1048 1 57 VAL HA 1 64 SER HA . . 3.550 2.549 2.405 2.722 . 0 0 "[ . 1 . 2]" 1
1049 1 18 VAL H 1 18 VAL MG1 . . 3.870 2.424 2.052 3.755 . 0 0 "[ . 1 . 2]" 1
1050 1 14 PHE QE 1 18 VAL MG1 . . 4.040 2.828 2.518 3.678 . 0 0 "[ . 1 . 2]" 1
1051 1 18 VAL MG1 1 75 ALA MB . . 3.960 2.630 1.703 3.941 . 0 0 "[ . 1 . 2]" 1
1052 1 37 LEU MD1 1 64 SER HA . . 4.230 3.354 3.138 3.738 . 0 0 "[ . 1 . 2]" 1
1053 1 64 SER HA 1 64 SER HG . . 3.990 3.005 2.167 3.600 . 0 0 "[ . 1 . 2]" 1
1054 1 61 LYS HA 1 61 LYS HG3 . . 3.940 3.218 2.066 3.948 0.008 11 0 "[ . 1 . 2]" 1
1055 1 91 VAL H 1 91 VAL MG1 . . 3.310 2.548 2.322 2.698 . 0 0 "[ . 1 . 2]" 1
1056 1 90 VAL HA 1 91 VAL MG1 . . 4.650 3.828 3.451 4.009 . 0 0 "[ . 1 . 2]" 1
1057 1 33 ILE HG13 1 91 VAL MG1 . . 3.350 2.367 2.190 2.616 . 0 0 "[ . 1 . 2]" 1
1058 1 12 LEU HA 1 12 LEU HG . . 3.860 2.608 2.285 2.855 . 0 0 "[ . 1 . 2]" 1
1059 1 12 LEU HA 1 12 LEU MD2 . . 4.430 2.410 2.068 2.899 . 0 0 "[ . 1 . 2]" 1
1060 1 12 LEU H 1 12 LEU MD2 . . 4.740 4.363 4.140 4.543 . 0 0 "[ . 1 . 2]" 1
1061 1 75 ALA HA 1 78 ILE H . . 3.890 3.445 3.278 3.644 . 0 0 "[ . 1 . 2]" 1
1062 1 75 ALA HA 1 95 TRP HZ2 . . 4.080 3.040 2.745 3.374 . 0 0 "[ . 1 . 2]" 1
1063 1 75 ALA HA 1 95 TRP HH2 . . 4.250 3.789 3.415 4.026 . 0 0 "[ . 1 . 2]" 1
1064 1 75 ALA HA 1 78 ILE HB . . 3.400 2.535 2.376 2.834 . 0 0 "[ . 1 . 2]" 1
1065 1 17 VAL MG1 1 75 ALA HA . . 4.320 2.122 1.929 2.404 . 0 0 "[ . 1 . 2]" 1
1066 1 17 VAL MG2 1 75 ALA HA . . 4.320 4.258 4.042 4.323 0.003 11 0 "[ . 1 . 2]" 1
1067 1 75 ALA HA 1 78 ILE MG . . 4.370 3.847 3.641 4.089 . 0 0 "[ . 1 . 2]" 1
1068 1 49 PHE QE 1 77 ALA HA . . 3.870 2.952 2.845 3.083 . 0 0 "[ . 1 . 2]" 1
1069 1 77 ALA HA 1 80 SER HB3 . . 4.360 3.812 3.081 4.358 . 0 0 "[ . 1 . 2]" 1
1070 1 79 VAL MG1 1 80 SER H . . 4.200 4.025 3.894 4.142 . 0 0 "[ . 1 . 2]" 1
1071 1 32 GLY H 1 63 TYR HA . . 4.460 3.176 2.981 3.296 . 0 0 "[ . 1 . 2]" 1
1072 1 31 GLY HA2 1 63 TYR HA . . 3.390 2.105 2.000 2.263 . 0 0 "[ . 1 . 2]" 1
1073 1 31 GLY HA3 1 63 TYR HA . . 3.820 3.599 3.257 3.834 0.014 4 0 "[ . 1 . 2]" 1
1074 1 37 LEU MD1 1 63 TYR HA . . 4.220 3.637 3.379 3.932 . 0 0 "[ . 1 . 2]" 1
1075 1 74 ALA HA 1 77 ALA H . . 3.950 3.518 3.325 3.916 . 0 0 "[ . 1 . 2]" 1
1076 1 28 VAL MG2 1 74 ALA HA . . 3.720 2.531 2.283 2.748 . 0 0 "[ . 1 . 2]" 1
1077 1 79 VAL H 1 79 VAL MG1 . . 3.170 2.269 2.038 2.515 . 0 0 "[ . 1 . 2]" 1
1078 1 14 PHE QD 1 79 VAL MG1 . . 3.860 2.886 2.303 3.270 . 0 0 "[ . 1 . 2]" 1
1079 1 75 ALA HA 1 79 VAL MG1 . . 4.470 3.703 3.491 3.922 . 0 0 "[ . 1 . 2]" 1
1080 1 12 LEU HB2 1 79 VAL MG1 . . 3.600 3.219 2.536 3.582 . 0 0 "[ . 1 . 2]" 1
1081 1 17 VAL HB 1 79 VAL MG1 . . 3.860 2.613 2.294 2.903 . 0 0 "[ . 1 . 2]" 1
1082 1 76 HIS HA 1 79 VAL MG1 . . 4.030 3.656 3.338 3.928 . 0 0 "[ . 1 . 2]" 1
1083 1 14 PHE HA 1 79 VAL MG1 . . 3.280 1.985 1.820 2.282 . 0 0 "[ . 1 . 2]" 1
1084 1 78 ILE HB 1 79 VAL MG1 . . 4.530 3.438 3.191 3.654 . 0 0 "[ . 1 . 2]" 1
1085 1 63 TYR QE 1 65 PHE HZ . . 4.300 4.004 2.855 4.304 0.004 11 0 "[ . 1 . 2]" 1
1086 1 58 PHE QE 1 63 TYR QE . . 4.260 3.241 2.505 3.870 . 0 0 "[ . 1 . 2]" 1
1087 1 58 PHE QD 1 63 TYR QE . . 4.140 2.810 2.197 3.235 . 0 0 "[ . 1 . 2]" 1
1088 1 61 LYS HD2 1 63 TYR QE . . 4.930 4.325 3.628 4.876 . 0 0 "[ . 1 . 2]" 1
1089 1 61 LYS HB2 1 63 TYR QE . . 3.750 2.558 2.175 2.901 . 0 0 "[ . 1 . 2]" 1
1090 1 61 LYS HB3 1 63 TYR QE . . 3.750 2.626 2.252 3.161 . 0 0 "[ . 1 . 2]" 1
1091 1 83 GLY H 1 92 LYS HA . . 3.970 3.626 3.199 3.879 . 0 0 "[ . 1 . 2]" 1
1092 1 92 LYS HA 1 92 LYS HG2 . . 3.970 2.947 2.522 3.680 . 0 0 "[ . 1 . 2]" 1
1093 1 92 LYS HA 1 92 LYS HG3 . . 3.970 2.864 2.279 4.025 0.055 3 0 "[ . 1 . 2]" 1
1094 1 68 PHE QD 1 74 ALA HA . . 3.830 3.283 3.032 3.524 . 0 0 "[ . 1 . 2]" 1
1095 1 68 PHE QE 1 74 ALA HA . . 4.150 3.423 3.229 3.605 . 0 0 "[ . 1 . 2]" 1
1096 1 84 THR HA 1 84 THR MG . . 3.200 2.321 2.189 2.396 . 0 0 "[ . 1 . 2]" 1
1097 1 81 VAL MG1 1 84 THR MG . . 4.210 3.406 3.242 3.693 . 0 0 "[ . 1 . 2]" 1
1098 1 81 VAL MG2 1 84 THR MG . . 4.210 3.415 3.268 3.617 . 0 0 "[ . 1 . 2]" 1
1099 1 27 THR MG 1 65 PHE QD . . 3.700 2.661 2.311 3.014 . 0 0 "[ . 1 . 2]" 1
1100 1 27 THR MG 1 67 ARG HA . . 3.580 3.066 2.859 3.385 . 0 0 "[ . 1 . 2]" 1
1101 1 27 THR HA 1 27 THR MG . . 3.400 2.223 2.078 2.367 . 0 0 "[ . 1 . 2]" 1
1102 1 41 LEU H 1 41 LEU MD2 . . 4.670 4.200 4.164 4.238 . 0 0 "[ . 1 . 2]" 1
1103 1 41 LEU MD2 1 87 GLU HG3 . . 3.800 2.978 2.679 3.803 0.003 4 0 "[ . 1 . 2]" 1
1104 1 41 LEU MD2 1 87 GLU HG2 . . 3.920 3.688 3.222 3.920 . 0 0 "[ . 1 . 2]" 1
1105 1 41 LEU HB2 1 41 LEU MD2 . . 3.370 2.471 2.218 3.193 . 0 0 "[ . 1 . 2]" 1
1106 1 41 LEU HB3 1 41 LEU MD2 . . 3.370 2.263 2.156 2.452 . 0 0 "[ . 1 . 2]" 1
1107 1 90 VAL MG2 1 92 LYS HA . . 4.940 4.347 4.187 4.497 . 0 0 "[ . 1 . 2]" 1
1108 1 91 VAL MG2 1 92 LYS HA . . 5.120 3.784 3.535 3.907 . 0 0 "[ . 1 . 2]" 1
1109 1 92 LYS QD 1 94 TYR QE . . 3.700 2.410 1.895 3.521 . 0 0 "[ . 1 . 2]" 1
1110 1 17 VAL MG2 1 78 ILE HB . . 4.440 3.677 3.422 3.873 . 0 0 "[ . 1 . 2]" 1
1111 1 28 VAL MG2 1 29 TYR H . . 4.240 4.092 4.007 4.192 . 0 0 "[ . 1 . 2]" 1
1112 1 28 VAL MG2 1 46 PHE QD . . 4.960 4.445 4.179 4.763 . 0 0 "[ . 1 . 2]" 1
1113 1 28 VAL MG2 1 68 PHE QD . . 3.610 2.040 1.941 2.223 . 0 0 "[ . 1 . 2]" 1
1114 1 28 VAL MG2 1 68 PHE QE . . 3.890 2.064 1.892 2.567 . 0 0 "[ . 1 . 2]" 1
1115 1 28 VAL MG2 1 77 ALA MB . . 3.230 3.031 2.787 3.222 . 0 0 "[ . 1 . 2]" 1
1116 1 28 VAL MG2 1 66 VAL MG1 . . 4.160 3.496 3.195 3.691 . 0 0 "[ . 1 . 2]" 1
1117 1 81 VAL H 1 81 VAL MG2 . . 4.410 2.075 1.877 2.333 . 0 0 "[ . 1 . 2]" 1
1118 1 46 PHE QE 1 81 VAL MG2 . . 3.480 2.285 2.027 2.552 . 0 0 "[ . 1 . 2]" 1
1119 1 81 VAL HA 1 81 VAL MG2 . . 3.380 2.353 2.192 2.451 . 0 0 "[ . 1 . 2]" 1
1120 1 29 TYR QE 1 63 TYR QD . . 3.680 3.080 2.468 3.637 . 0 0 "[ . 1 . 2]" 1
1121 1 29 TYR QE 1 94 TYR QE . . 4.000 3.531 2.507 4.011 0.011 9 0 "[ . 1 . 2]" 1
1122 1 29 TYR QE 1 31 GLY HA3 . . 4.000 2.570 2.163 3.097 . 0 0 "[ . 1 . 2]" 1
1123 1 29 TYR QE 1 63 TYR HB2 . . 4.480 2.889 2.537 3.208 . 0 0 "[ . 1 . 2]" 1
1124 1 29 TYR QE 1 63 TYR HB3 . . 4.480 3.522 3.209 3.908 . 0 0 "[ . 1 . 2]" 1
1125 1 29 TYR QE 1 92 LYS HB3 . . 4.720 4.272 3.729 4.730 0.010 5 0 "[ . 1 . 2]" 1
1126 1 29 TYR QE 1 92 LYS QD . . 4.840 3.874 2.000 4.660 . 0 0 "[ . 1 . 2]" 1
1127 1 70 THR MG 1 71 HIS H . . 4.570 3.736 3.555 4.088 . 0 0 "[ . 1 . 2]" 1
1128 1 57 VAL MG1 1 58 PHE H . . 4.150 4.110 4.063 4.151 0.001 1 0 "[ . 1 . 2]" 1
1129 1 57 VAL MG1 1 64 SER HB2 . . 3.430 3.255 3.020 3.436 0.006 15 0 "[ . 1 . 2]" 1
1130 1 39 ASP QB 1 57 VAL MG1 . . 3.460 2.827 2.536 3.072 . 0 0 "[ . 1 . 2]" 1
1131 1 42 MET HB2 1 57 VAL MG1 . . 3.920 3.212 3.042 3.381 . 0 0 "[ . 1 . 2]" 1
1132 1 42 MET HG2 1 57 VAL MG1 . . 3.470 3.067 2.870 3.324 . 0 0 "[ . 1 . 2]" 1
1133 1 57 VAL MG1 1 64 SER HA . . 4.400 4.238 4.050 4.395 . 0 0 "[ . 1 . 2]" 1
1134 1 38 THR HA 1 57 VAL MG1 . . 3.660 3.206 2.934 3.466 . 0 0 "[ . 1 . 2]" 1
1135 1 39 ASP HA 1 57 VAL MG1 . . 3.180 2.081 1.930 2.262 . 0 0 "[ . 1 . 2]" 1
1136 1 57 VAL MG1 1 59 PRO HD3 . . 4.610 4.527 4.518 4.545 . 0 0 "[ . 1 . 2]" 1
1137 1 57 VAL MG1 1 64 SER HG . . 3.960 2.941 2.106 3.900 . 0 0 "[ . 1 . 2]" 1
1138 1 57 VAL HA 1 57 VAL MG1 . . 3.660 2.457 2.381 2.531 . 0 0 "[ . 1 . 2]" 1
1139 1 28 VAL MG1 1 29 TYR H . . 3.660 2.994 2.884 3.098 . 0 0 "[ . 1 . 2]" 1
1140 1 28 VAL MG1 1 46 PHE QD . . 4.300 3.879 3.614 4.121 . 0 0 "[ . 1 . 2]" 1
1141 1 28 VAL MG1 1 78 ILE H . . 4.830 4.336 4.074 4.679 . 0 0 "[ . 1 . 2]" 1
1142 1 28 VAL MG1 1 46 PHE QE . . 3.850 2.609 2.213 2.955 . 0 0 "[ . 1 . 2]" 1
1143 1 28 VAL MG1 1 78 ILE HA . . 4.200 3.713 3.213 3.973 . 0 0 "[ . 1 . 2]" 1
1144 1 28 VAL MG1 1 93 CYS QB . . 3.620 3.400 3.129 3.623 0.003 11 0 "[ . 1 . 2]" 1
1145 1 28 VAL MG1 1 77 ALA MB . . 3.500 3.091 2.940 3.263 . 0 0 "[ . 1 . 2]" 1
1146 1 28 VAL MG1 1 78 ILE MD . . 3.600 3.272 2.890 3.587 . 0 0 "[ . 1 . 2]" 1
1147 1 9 THR HA 1 9 THR MG . . 3.400 2.547 2.156 3.208 . 0 0 "[ . 1 . 2]" 1
1148 1 14 PHE HA 1 79 VAL MG2 . . 3.840 3.704 3.510 3.837 . 0 0 "[ . 1 . 2]" 1
1149 1 79 VAL HA 1 79 VAL MG2 . . 3.360 3.185 3.169 3.202 . 0 0 "[ . 1 . 2]" 1
1150 1 78 ILE MG 1 79 VAL MG2 . . 5.360 4.267 4.060 4.405 . 0 0 "[ . 1 . 2]" 1
1151 1 90 VAL H 1 90 VAL MG1 . . 3.080 2.010 1.866 2.262 . 0 0 "[ . 1 . 2]" 1
1152 1 90 VAL HA 1 90 VAL MG1 . . 3.250 3.185 3.170 3.199 . 0 0 "[ . 1 . 2]" 1
1153 1 37 LEU HA 1 38 THR MG . . 4.410 4.117 3.843 4.252 . 0 0 "[ . 1 . 2]" 1
1154 1 85 THR MG 1 86 ILE HA . . 4.300 4.035 3.815 4.269 . 0 0 "[ . 1 . 2]" 1
1155 1 85 THR MG 1 88 GLY H . . 3.410 2.431 2.234 2.731 . 0 0 "[ . 1 . 2]" 1
1156 1 90 VAL MG2 1 91 VAL H . . 3.400 2.901 2.432 3.083 . 0 0 "[ . 1 . 2]" 1
1157 1 85 THR HA 1 90 VAL MG2 . . 4.820 4.040 3.764 4.309 . 0 0 "[ . 1 . 2]" 1
1158 1 66 VAL H 1 66 VAL MG1 . . 4.470 3.932 3.878 3.986 . 0 0 "[ . 1 . 2]" 1
1159 1 66 VAL MG1 1 67 ARG H . . 3.710 2.970 2.708 3.162 . 0 0 "[ . 1 . 2]" 1
1160 1 46 PHE QD 1 66 VAL MG1 . . 4.180 2.669 2.273 2.983 . 0 0 "[ . 1 . 2]" 1
1161 1 66 VAL MG1 1 68 PHE HZ . . 4.180 3.038 2.813 3.678 . 0 0 "[ . 1 . 2]" 1
1162 1 66 VAL MG1 1 68 PHE QE . . 3.810 2.288 2.046 2.535 . 0 0 "[ . 1 . 2]" 1
1163 1 55 ILE HA 1 66 VAL MG1 . . 4.440 4.015 3.813 4.193 . 0 0 "[ . 1 . 2]" 1
1164 1 66 VAL HA 1 66 VAL MG1 . . 3.410 2.359 2.194 2.486 . 0 0 "[ . 1 . 2]" 1
1165 1 46 PHE HB3 1 66 VAL MG1 . . 3.700 3.027 2.852 3.287 . 0 0 "[ . 1 . 2]" 1
1166 1 46 PHE HB2 1 66 VAL MG1 . . 3.910 3.051 2.803 3.455 . 0 0 "[ . 1 . 2]" 1
1167 1 28 VAL HB 1 66 VAL MG1 . . 4.120 3.123 2.829 3.331 . 0 0 "[ . 1 . 2]" 1
1168 1 52 ILE HB 1 66 VAL MG1 . . 4.480 4.158 3.876 4.384 . 0 0 "[ . 1 . 2]" 1
1169 1 52 ILE HG13 1 66 VAL MG1 . . 4.690 3.891 3.623 4.086 . 0 0 "[ . 1 . 2]" 1
1170 1 55 ILE HG12 1 66 VAL MG1 . . 3.970 2.697 2.436 2.986 . 0 0 "[ . 1 . 2]" 1
1171 1 52 ILE MD 1 66 VAL MG1 . . 3.180 2.745 2.358 3.078 . 0 0 "[ . 1 . 2]" 1
1172 1 52 ILE MG 1 66 VAL MG1 . . 2.880 1.940 1.759 2.294 . 0 0 "[ . 1 . 2]" 1
1173 1 30 CYS HB2 1 66 VAL MG2 . . 4.260 3.405 3.039 3.818 . 0 0 "[ . 1 . 2]" 1
1174 1 45 THR H 1 45 THR MG . . 3.970 3.730 3.700 3.768 . 0 0 "[ . 1 . 2]" 1
1175 1 45 THR MG 1 46 PHE QE . . 3.580 3.503 3.366 3.581 0.001 14 0 "[ . 1 . 2]" 1
1176 1 45 THR MG 1 46 PHE HA . . 4.390 3.421 3.246 3.698 . 0 0 "[ . 1 . 2]" 1
1177 1 42 MET HA 1 45 THR MG . . 4.110 3.713 3.513 4.045 . 0 0 "[ . 1 . 2]" 1
1178 1 46 PHE QD 1 66 VAL MG2 . . 3.560 2.171 1.980 2.486 . 0 0 "[ . 1 . 2]" 1
1179 1 46 PHE QE 1 66 VAL MG2 . . 3.780 2.054 1.834 2.366 . 0 0 "[ . 1 . 2]" 1
1180 1 65 PHE HA 1 66 VAL MG2 . . 4.710 3.576 3.377 3.757 . 0 0 "[ . 1 . 2]" 1
1181 1 55 ILE HA 1 66 VAL MG2 . . 3.900 3.134 2.837 3.496 . 0 0 "[ . 1 . 2]" 1
1182 1 66 VAL HA 1 66 VAL MG2 . . 3.360 2.360 2.245 2.481 . 0 0 "[ . 1 . 2]" 1
1183 1 64 SER HB3 1 66 VAL MG2 . . 4.290 3.784 3.536 4.039 . 0 0 "[ . 1 . 2]" 1
1184 1 46 PHE HB2 1 66 VAL MG2 . . 4.860 3.848 3.723 4.084 . 0 0 "[ . 1 . 2]" 1
1185 1 64 SER HG 1 66 VAL MG2 . . 5.030 3.162 2.378 4.104 . 0 0 "[ . 1 . 2]" 1
1186 1 42 MET HG3 1 66 VAL MG2 . . 4.250 3.424 3.194 3.839 . 0 0 "[ . 1 . 2]" 1
1187 1 65 PHE QB 1 66 VAL MG2 . . 4.870 4.213 4.052 4.400 . 0 0 "[ . 1 . 2]" 1
1188 1 42 MET HB2 1 66 VAL MG2 . . 4.050 3.668 3.475 3.862 . 0 0 "[ . 1 . 2]" 1
1189 1 42 MET HB3 1 66 VAL MG2 . . 3.540 2.466 2.262 2.622 . 0 0 "[ . 1 . 2]" 1
1190 1 42 MET ME 1 46 PHE QE . . 4.240 3.847 3.299 4.095 . 0 0 "[ . 1 . 2]" 1
1191 1 42 MET ME 1 45 THR HG1 . . 3.990 3.408 3.031 3.903 . 0 0 "[ . 1 . 2]" 1
1192 1 42 MET ME 1 64 SER HB3 . . 4.470 4.194 3.711 4.434 . 0 0 "[ . 1 . 2]" 1
1193 1 42 MET ME 1 45 THR MG . . 3.680 3.444 3.196 3.671 . 0 0 "[ . 1 . 2]" 1
1194 1 42 MET H 1 42 MET ME . . 3.580 3.060 2.569 3.477 . 0 0 "[ . 1 . 2]" 1
1195 1 38 THR H 1 42 MET ME . . 4.970 4.036 3.396 4.491 . 0 0 "[ . 1 . 2]" 1
1196 1 42 MET HA 1 42 MET ME . . 3.000 2.205 2.020 2.408 . 0 0 "[ . 1 . 2]" 1
1197 1 41 LEU HA 1 42 MET ME . . 5.100 4.492 3.982 4.977 . 0 0 "[ . 1 . 2]" 1
1198 1 42 MET ME 1 45 THR HB . . 3.630 3.200 2.988 3.477 . 0 0 "[ . 1 . 2]" 1
1199 1 42 MET ME 1 42 MET HG3 . . 3.640 3.234 3.185 3.310 . 0 0 "[ . 1 . 2]" 1
1200 1 42 MET ME 1 42 MET HG2 . . 3.190 2.178 2.098 2.295 . 0 0 "[ . 1 . 2]" 1
1201 1 33 ILE HB 1 42 MET ME . . 5.500 4.179 3.910 4.357 . 0 0 "[ . 1 . 2]" 1
1202 1 42 MET ME 1 86 ILE HB . . 5.500 4.279 4.096 4.440 . 0 0 "[ . 1 . 2]" 1
1203 1 41 LEU MD1 1 42 MET ME . . 3.830 3.455 2.854 3.795 . 0 0 "[ . 1 . 2]" 1
1204 1 41 LEU MD2 1 42 MET ME . . 3.830 2.314 1.828 2.669 . 0 0 "[ . 1 . 2]" 1
1205 1 37 LEU MD2 1 42 MET ME . . 2.890 2.652 2.471 2.882 . 0 0 "[ . 1 . 2]" 1
1206 1 33 ILE MD 1 42 MET ME . . 2.690 1.811 1.717 1.978 . 0 0 "[ . 1 . 2]" 1
1207 1 48 PRO HD3 1 49 PHE H . . 4.110 3.861 3.836 3.880 . 0 0 "[ . 1 . 2]" 1
1208 1 47 SER QB 1 48 PRO HD3 . . 3.580 2.001 1.910 2.105 . 0 0 "[ . 1 . 2]" 1
1209 1 46 PHE HA 1 48 PRO HD3 . . 5.360 5.223 5.101 5.307 . 0 0 "[ . 1 . 2]" 1
1210 1 47 SER H 1 48 PRO HD2 . . 3.740 2.360 2.272 2.430 . 0 0 "[ . 1 . 2]" 1
1211 1 48 PRO HD2 1 49 PHE H . . 3.730 2.723 2.649 2.767 . 0 0 "[ . 1 . 2]" 1
1212 1 86 ILE H 1 91 VAL MG2 . . 4.240 3.539 3.235 3.826 . 0 0 "[ . 1 . 2]" 1
1213 1 91 VAL H 1 91 VAL MG2 . . 2.990 2.001 1.869 2.252 . 0 0 "[ . 1 . 2]" 1
1214 1 90 VAL HA 1 91 VAL MG2 . . 3.970 3.753 3.636 3.927 . 0 0 "[ . 1 . 2]" 1
1215 1 91 VAL MG2 1 93 CYS HG . . 4.820 4.434 4.061 4.824 0.004 4 0 "[ . 1 . 2]" 1
1216 1 86 ILE HB 1 91 VAL MG2 . . 4.060 3.886 3.281 4.060 . 0 0 "[ . 1 . 2]" 1
1217 1 30 CYS HG 1 91 VAL MG2 . . 3.670 3.283 2.862 3.668 . 0 0 "[ . 1 . 2]" 1
1218 1 84 THR MG 1 91 VAL MG2 . . 4.210 3.598 3.402 4.022 . 0 0 "[ . 1 . 2]" 1
1219 1 14 PHE QD 1 18 VAL MG2 . . 4.960 3.680 2.770 4.714 . 0 0 "[ . 1 . 2]" 1
1220 1 15 GLU HA 1 18 VAL MG2 . . 4.610 3.007 2.006 4.608 . 0 0 "[ . 1 . 2]" 1
1221 1 33 ILE HA 1 34 ALA MB . . 4.360 3.873 3.802 3.930 . 0 0 "[ . 1 . 2]" 1
1222 1 46 PHE QD 1 77 ALA MB . . 3.050 2.129 1.961 2.263 . 0 0 "[ . 1 . 2]" 1
1223 1 49 PHE QD 1 77 ALA MB . . 3.090 2.783 2.630 2.927 . 0 0 "[ . 1 . 2]" 1
1224 1 46 PHE QE 1 77 ALA MB . . 3.160 2.237 1.990 2.683 . 0 0 "[ . 1 . 2]" 1
1225 1 68 PHE QE 1 77 ALA MB . . 3.350 3.268 3.071 3.354 0.004 15 0 "[ . 1 . 2]" 1
1226 1 74 ALA HA 1 77 ALA MB . . 3.190 2.937 2.708 3.192 0.002 4 0 "[ . 1 . 2]" 1
1227 1 77 ALA MB 1 78 ILE HA . . 3.850 3.785 3.702 3.858 0.008 4 0 "[ . 1 . 2]" 1
1228 1 76 HIS H 1 77 ALA MB . . 4.610 4.290 4.080 4.542 . 0 0 "[ . 1 . 2]" 1
1229 1 68 PHE HZ 1 77 ALA MB . . 3.300 2.914 2.791 3.039 . 0 0 "[ . 1 . 2]" 1
1230 1 46 PHE HB3 1 77 ALA MB . . 4.280 4.011 3.805 4.242 . 0 0 "[ . 1 . 2]" 1
1231 1 49 PHE HB2 1 77 ALA MB . . 3.960 2.870 2.681 3.142 . 0 0 "[ . 1 . 2]" 1
1232 1 77 ALA MB 1 78 ILE MD . . 4.770 4.474 4.263 4.629 . 0 0 "[ . 1 . 2]" 1
1233 1 57 VAL MG2 1 64 SER HB2 . . 5.090 4.899 4.703 5.072 . 0 0 "[ . 1 . 2]" 1
1234 1 57 VAL MG2 1 58 PHE H . . 4.550 3.738 3.649 3.866 . 0 0 "[ . 1 . 2]" 1
1235 1 38 THR HA 1 57 VAL MG2 . . 3.610 2.841 2.494 3.029 . 0 0 "[ . 1 . 2]" 1
1236 1 39 ASP HA 1 57 VAL MG2 . . 4.000 3.769 3.541 3.988 . 0 0 "[ . 1 . 2]" 1
1237 1 57 VAL MG2 1 59 PRO HB3 . . 4.150 4.087 3.993 4.158 0.008 19 0 "[ . 1 . 2]" 1
1238 1 57 VAL MG2 1 59 PRO HG3 . . 3.400 3.273 3.209 3.336 . 0 0 "[ . 1 . 2]" 1
1239 1 38 THR MG 1 57 VAL MG2 . . 4.430 4.134 3.838 4.301 . 0 0 "[ . 1 . 2]" 1
1240 1 14 PHE QE 1 75 ALA MB . . 3.200 2.368 2.024 2.752 . 0 0 "[ . 1 . 2]" 1
1241 1 75 ALA MB 1 95 TRP HZ2 . . 3.100 2.460 2.282 2.721 . 0 0 "[ . 1 . 2]" 1
1242 1 75 ALA MB 1 95 TRP HH2 . . 3.520 3.206 2.836 3.459 . 0 0 "[ . 1 . 2]" 1
1243 1 17 VAL HB 1 75 ALA MB . . 4.530 2.872 2.406 3.239 . 0 0 "[ . 1 . 2]" 1
1244 1 18 VAL MG2 1 75 ALA MB . . 3.960 3.406 1.949 3.963 0.003 13 0 "[ . 1 . 2]" 1
1245 1 75 ALA MB 1 78 ILE MD . . 4.410 3.716 3.527 4.033 . 0 0 "[ . 1 . 2]" 1
1246 1 33 ILE MG 1 87 GLU HG3 . . 4.330 4.051 3.223 4.328 . 0 0 "[ . 1 . 2]" 1
1247 1 33 ILE MG 1 89 HIS HB3 . . 5.260 4.320 4.151 4.509 . 0 0 "[ . 1 . 2]" 1
1248 1 33 ILE MG 1 89 HIS HB2 . . 4.580 3.823 3.664 3.994 . 0 0 "[ . 1 . 2]" 1
1249 1 33 ILE MG 1 87 GLU HB2 . . 4.130 3.973 3.517 4.128 . 0 0 "[ . 1 . 2]" 1
1250 1 33 ILE MG 1 42 MET ME . . 4.480 4.076 3.896 4.340 . 0 0 "[ . 1 . 2]" 1
1251 1 33 ILE MG 1 37 LEU H . . 3.640 2.582 2.422 2.754 . 0 0 "[ . 1 . 2]" 1
1252 1 33 ILE MG 1 89 HIS HD2 . . 4.290 3.750 3.205 4.218 . 0 0 "[ . 1 . 2]" 1
1253 1 33 ILE MG 1 37 LEU HA . . 3.570 2.467 2.187 2.870 . 0 0 "[ . 1 . 2]" 1
1254 1 33 ILE HA 1 33 ILE MG . . 3.310 2.233 2.165 2.379 . 0 0 "[ . 1 . 2]" 1
1255 1 33 ILE HG13 1 33 ILE MG . . 3.300 3.075 3.011 3.111 . 0 0 "[ . 1 . 2]" 1
1256 1 74 ALA MB 1 75 ALA H . . 3.380 2.415 2.179 2.790 . 0 0 "[ . 1 . 2]" 1
1257 1 68 PHE QD 1 74 ALA MB . . 3.410 2.578 2.224 2.816 . 0 0 "[ . 1 . 2]" 1
1258 1 74 ALA MB 1 95 TRP HZ3 . . 2.810 2.458 2.110 2.706 . 0 0 "[ . 1 . 2]" 1
1259 1 74 ALA H 1 74 ALA MB . . 3.090 2.184 2.032 2.245 . 0 0 "[ . 1 . 2]" 1
1260 1 74 ALA MB 1 95 TRP HH2 . . 3.250 2.145 1.958 2.299 . 0 0 "[ . 1 . 2]" 1
1261 1 71 HIS HA 1 74 ALA MB . . 3.790 2.848 2.615 3.156 . 0 0 "[ . 1 . 2]" 1
1262 1 74 ALA MB 1 75 ALA HA . . 4.340 3.758 3.636 3.842 . 0 0 "[ . 1 . 2]" 1
1263 1 28 VAL MG2 1 74 ALA MB . . 3.180 2.033 1.825 2.246 . 0 0 "[ . 1 . 2]" 1
1264 1 74 ALA MB 1 78 ILE MD . . 4.170 2.732 2.451 2.963 . 0 0 "[ . 1 . 2]" 1
1265 1 58 PHE HA 1 59 PRO HD2 . . 3.160 1.980 1.974 1.981 . 0 0 "[ . 1 . 2]" 1
1266 1 57 VAL MG2 1 59 PRO HD2 . . 4.090 3.247 3.195 3.294 . 0 0 "[ . 1 . 2]" 1
1267 1 37 LEU MD1 1 59 PRO HD2 . . 4.200 3.777 3.589 3.941 . 0 0 "[ . 1 . 2]" 1
1268 1 58 PHE H 1 59 PRO HD3 . . 4.480 3.596 3.526 3.696 . 0 0 "[ . 1 . 2]" 1
1269 1 57 VAL MG2 1 59 PRO HD3 . . 3.550 1.991 1.976 2.035 . 0 0 "[ . 1 . 2]" 1
1270 1 58 PHE HA 1 59 PRO HD3 . . 3.190 2.746 2.734 2.748 . 0 0 "[ . 1 . 2]" 1
1271 1 57 VAL HB 1 59 PRO HD3 . . 3.550 3.251 3.220 3.282 . 0 0 "[ . 1 . 2]" 1
1272 1 37 LEU MD1 1 59 PRO HD3 . . 3.720 2.643 2.431 2.890 . 0 0 "[ . 1 . 2]" 1
1273 1 55 ILE HA 1 55 ILE MG . . 3.440 2.414 2.328 2.487 . 0 0 "[ . 1 . 2]" 1
1274 1 55 ILE MG 1 64 SER HB2 . . 4.890 4.709 4.536 4.888 . 0 0 "[ . 1 . 2]" 1
1275 1 55 ILE MG 1 64 SER HG . . 4.170 3.067 2.757 3.619 . 0 0 "[ . 1 . 2]" 1
1276 1 42 MET HG2 1 55 ILE MG . . 4.360 4.036 3.840 4.276 . 0 0 "[ . 1 . 2]" 1
1277 1 55 ILE H 1 55 ILE MG . . 4.750 3.861 3.816 3.904 . 0 0 "[ . 1 . 2]" 1
1278 1 55 ILE MG 1 65 PHE H . . 5.020 3.701 3.382 3.961 . 0 0 "[ . 1 . 2]" 1
1279 1 46 PHE QD 1 55 ILE MG . . 5.500 4.333 3.746 4.847 . 0 0 "[ . 1 . 2]" 1
1280 1 55 ILE MG 1 57 VAL HA . . 4.900 4.182 4.115 4.262 . 0 0 "[ . 1 . 2]" 1
1281 1 55 ILE MG 1 66 VAL HA . . 5.150 3.990 3.578 4.182 . 0 0 "[ . 1 . 2]" 1
1282 1 55 ILE MG 1 66 VAL MG1 . . 4.790 3.899 3.384 4.181 . 0 0 "[ . 1 . 2]" 1
1283 1 52 ILE MG 1 53 MET H . . 3.880 2.288 1.959 2.618 . 0 0 "[ . 1 . 2]" 1
1284 1 52 ILE H 1 52 ILE MG . . 4.190 3.870 3.818 3.905 . 0 0 "[ . 1 . 2]" 1
1285 1 52 ILE MG 1 54 GLU H . . 3.470 2.548 2.029 3.032 . 0 0 "[ . 1 . 2]" 1
1286 1 52 ILE MG 1 55 ILE HA . . 4.230 3.771 3.658 3.950 . 0 0 "[ . 1 . 2]" 1
1287 1 52 ILE MG 1 54 GLU HA . . 4.380 3.643 3.356 3.890 . 0 0 "[ . 1 . 2]" 1
1288 1 52 ILE HA 1 52 ILE MG . . 3.420 2.271 2.156 2.417 . 0 0 "[ . 1 . 2]" 1
1289 1 52 ILE MG 1 55 ILE HG12 . . 3.280 2.172 1.964 2.463 . 0 0 "[ . 1 . 2]" 1
1290 1 105 GLY QA 1 106 PRO QD . . 3.310 1.973 1.874 2.101 . 0 0 "[ . 1 . 2]" 1
1291 1 86 ILE MG 1 87 GLU HA . . 4.620 3.949 3.795 4.075 . 0 0 "[ . 1 . 2]" 1
1292 1 86 ILE MG 1 87 GLU H . . 3.630 2.714 2.422 3.004 . 0 0 "[ . 1 . 2]" 1
1293 1 86 ILE HA 1 86 ILE MG . . 3.240 2.429 2.356 2.533 . 0 0 "[ . 1 . 2]" 1
1294 1 86 ILE MG 1 87 GLU HG3 . . 3.740 2.660 2.077 2.909 . 0 0 "[ . 1 . 2]" 1
1295 1 86 ILE MG 1 87 GLU HG2 . . 3.610 2.128 1.850 2.392 . 0 0 "[ . 1 . 2]" 1
1296 1 86 ILE MG 1 87 GLU HB2 . . 3.460 2.927 2.626 3.144 . 0 0 "[ . 1 . 2]" 1
1297 1 43 ARG HA 1 52 ILE MG . . 4.330 4.000 3.615 4.335 0.005 4 0 "[ . 1 . 2]" 1
1298 1 43 ARG QB 1 52 ILE MG . . 5.430 4.799 4.261 5.189 . 0 0 "[ . 1 . 2]" 1
1299 1 78 ILE MG 1 79 VAL H . . 3.940 2.912 2.697 3.181 . 0 0 "[ . 1 . 2]" 1
1300 1 78 ILE MG 1 94 TYR HA . . 3.500 3.138 2.903 3.437 . 0 0 "[ . 1 . 2]" 1
1301 1 78 ILE MG 1 82 ASN HB2 . . 3.730 2.395 2.203 2.679 . 0 0 "[ . 1 . 2]" 1
1302 1 12 LEU HB2 1 78 ILE MG . . 4.760 3.872 3.485 4.273 . 0 0 "[ . 1 . 2]" 1
1303 1 17 VAL MG1 1 78 ILE MG . . 3.450 2.295 1.965 2.583 . 0 0 "[ . 1 . 2]" 1
1304 1 78 ILE MG 1 79 VAL MG1 . . 3.640 3.214 2.918 3.625 . 0 0 "[ . 1 . 2]" 1
1305 1 17 VAL MG2 1 78 ILE MG . . 3.450 2.492 2.170 2.889 . 0 0 "[ . 1 . 2]" 1
1306 1 78 ILE HG12 1 78 ILE MG . . 3.370 2.297 2.208 2.402 . 0 0 "[ . 1 . 2]" 1
1307 1 53 MET HA 1 53 MET ME . . 3.620 2.660 2.166 3.279 . 0 0 "[ . 1 . 2]" 1
1308 1 53 MET ME 1 69 SER HA . . 4.400 3.911 3.480 4.364 . 0 0 "[ . 1 . 2]" 1
1309 1 53 MET ME 1 53 MET HG2 . . 3.610 2.474 1.991 3.371 . 0 0 "[ . 1 . 2]" 1
1310 1 36 GLY HA2 1 87 GLU HG3 . . 5.400 5.129 4.773 5.354 . 0 0 "[ . 1 . 2]" 1
1311 1 50 GLY HA3 1 68 PHE QD . . 5.080 3.078 2.548 3.474 . 0 0 "[ . 1 . 2]" 1
1312 1 50 GLY HA3 1 68 PHE QE . . 5.320 2.669 2.030 3.177 . 0 0 "[ . 1 . 2]" 1
1313 1 48 PRO HB2 1 49 PHE H . . 4.530 2.982 2.874 3.264 . 0 0 "[ . 1 . 2]" 1
1314 1 48 PRO QG 1 49 PHE H . . 4.430 1.986 1.891 2.267 . 0 0 "[ . 1 . 2]" 1
1315 1 47 SER H 1 52 ILE HG13 . . 5.500 5.041 4.735 5.386 . 0 0 "[ . 1 . 2]" 1
1316 1 52 ILE HG13 1 53 MET H . . 5.500 4.895 4.751 4.983 . 0 0 "[ . 1 . 2]" 1
1317 1 46 PHE HA 1 77 ALA MB . . 4.880 3.574 3.419 3.725 . 0 0 "[ . 1 . 2]" 1
1318 1 85 THR HA 1 86 ILE HB . . 4.690 4.578 4.474 4.647 . 0 0 "[ . 1 . 2]" 1
1319 1 46 PHE HB3 1 68 PHE QE . . 4.230 3.000 2.573 3.242 . 0 0 "[ . 1 . 2]" 1
1320 1 44 GLN QG 1 45 THR HA . . 5.280 4.555 4.351 4.904 . 0 0 "[ . 1 . 2]" 1
1321 1 44 GLN HB3 1 45 THR HA . . 5.500 4.004 3.885 4.088 . 0 0 "[ . 1 . 2]" 1
1322 1 45 THR HB 1 46 PHE QE . . 4.800 4.421 4.055 4.618 . 0 0 "[ . 1 . 2]" 1
1323 1 43 ARG QG 1 44 GLN HA . . 5.020 4.074 3.238 4.916 . 0 0 "[ . 1 . 2]" 1
1324 1 43 ARG QB 1 44 GLN HA . . 4.710 4.066 3.872 4.303 . 0 0 "[ . 1 . 2]" 1
1325 1 44 GLN HA 1 47 SER H . . 4.900 3.354 3.194 3.540 . 0 0 "[ . 1 . 2]" 1
1326 1 43 ARG HA 1 45 THR H . . 5.000 4.417 4.092 4.718 . 0 0 "[ . 1 . 2]" 1
1327 1 43 ARG HA 1 46 PHE QD . . 5.270 3.974 3.565 4.327 . 0 0 "[ . 1 . 2]" 1
1328 1 42 MET H 1 43 ARG QB . . 5.310 4.461 4.356 4.625 . 0 0 "[ . 1 . 2]" 1
1329 1 43 ARG QB 1 45 THR H . . 5.500 4.600 4.370 4.799 . 0 0 "[ . 1 . 2]" 1
1330 1 34 ALA MB 1 35 SER HA . . 5.500 3.992 3.884 4.070 . 0 0 "[ . 1 . 2]" 1
1331 1 41 LEU HG 1 42 MET HA . . 5.500 3.780 3.396 5.379 . 0 0 "[ . 1 . 2]" 1
1332 1 42 MET HG3 1 43 ARG H . . 5.500 4.982 4.841 5.143 . 0 0 "[ . 1 . 2]" 1
1333 1 39 ASP HA 1 42 MET HG3 . . 4.590 4.442 4.274 4.557 . 0 0 "[ . 1 . 2]" 1
1334 1 37 LEU HA 1 42 MET HG2 . . 5.270 4.602 4.432 4.819 . 0 0 "[ . 1 . 2]" 1
1335 1 39 ASP HA 1 42 MET HG2 . . 5.500 4.270 3.950 4.577 . 0 0 "[ . 1 . 2]" 1
1336 1 37 LEU HA 1 41 LEU HB3 . . 4.770 3.972 3.727 4.139 . 0 0 "[ . 1 . 2]" 1
1337 1 39 ASP QB 1 40 GLN HA . . 4.640 4.127 3.727 4.600 . 0 0 "[ . 1 . 2]" 1
1338 1 40 GLN HA 1 42 MET H . . 5.440 4.948 4.779 5.177 . 0 0 "[ . 1 . 2]" 1
1339 1 38 THR HG1 1 40 GLN HB3 . . 5.410 3.413 2.937 4.016 . 0 0 "[ . 1 . 2]" 1
1340 1 38 THR HB 1 40 GLN HB3 . . 4.950 3.293 3.135 3.458 . 0 0 "[ . 1 . 2]" 1
1341 1 38 THR HB 1 40 GLN HB2 . . 4.950 4.027 3.743 4.422 . 0 0 "[ . 1 . 2]" 1
1342 1 39 ASP QB 1 55 ILE HB . . 4.800 4.217 3.425 4.791 . 0 0 "[ . 1 . 2]" 1
1343 1 37 LEU HB2 1 38 THR H . . 5.090 4.570 4.494 4.615 . 0 0 "[ . 1 . 2]" 1
1344 1 37 LEU HG 1 42 MET HG2 . . 5.500 5.108 4.862 5.403 . 0 0 "[ . 1 . 2]" 1
1345 1 37 LEU HG 1 38 THR H . . 5.170 4.592 4.372 4.763 . 0 0 "[ . 1 . 2]" 1
1346 1 37 LEU H 1 37 LEU HG . . 4.820 4.297 3.955 4.413 . 0 0 "[ . 1 . 2]" 1
1347 1 23 PRO HA 1 25 ASN H . . 5.040 4.461 3.756 4.948 . 0 0 "[ . 1 . 2]" 1
1348 1 20 GLN HG3 1 95 TRP HE1 . . 5.420 3.983 2.891 4.787 . 0 0 "[ . 1 . 2]" 1
1349 1 14 PHE HA 1 14 PHE QE . . 5.260 4.794 4.689 4.948 . 0 0 "[ . 1 . 2]" 1
1350 1 14 PHE HA 1 18 VAL H . . 4.650 3.866 3.570 4.145 . 0 0 "[ . 1 . 2]" 1
1351 1 52 ILE HA 1 66 VAL MG1 . . 4.530 3.643 3.345 3.876 . 0 0 "[ . 1 . 2]" 1
1352 1 52 ILE HA 1 53 MET ME . . 5.500 4.517 3.586 5.163 . 0 0 "[ . 1 . 2]" 1
1353 1 54 GLU H 1 55 ILE HG12 . . 5.190 4.730 4.491 5.029 . 0 0 "[ . 1 . 2]" 1
1354 1 33 ILE MD 1 63 TYR HA . . 5.240 4.923 4.572 5.202 . 0 0 "[ . 1 . 2]" 1
1355 1 37 LEU MD2 1 63 TYR HA . . 5.240 4.943 4.603 5.101 . 0 0 "[ . 1 . 2]" 1
1356 1 63 TYR HA 1 64 SER HB2 . . 5.200 4.356 4.137 4.649 . 0 0 "[ . 1 . 2]" 1
1357 1 31 GLY H 1 63 TYR HA . . 5.220 4.716 4.607 4.952 . 0 0 "[ . 1 . 2]" 1
1358 1 66 VAL MG1 1 68 PHE HA . . 5.500 4.208 4.033 4.410 . 0 0 "[ . 1 . 2]" 1
1359 1 52 ILE HG12 1 68 PHE HA . . 5.350 4.723 4.389 5.022 . 0 0 "[ . 1 . 2]" 1
1360 1 52 ILE MG 1 68 PHE HA . . 5.010 3.935 3.418 4.398 . 0 0 "[ . 1 . 2]" 1
1361 1 68 PHE HA 1 74 ALA MB . . 4.990 4.744 4.552 4.954 . 0 0 "[ . 1 . 2]" 1
1362 1 52 ILE HG13 1 68 PHE HA . . 5.400 5.168 4.877 5.397 . 0 0 "[ . 1 . 2]" 1
1363 1 68 PHE HA 1 70 THR H . . 4.460 3.925 3.739 4.064 . 0 0 "[ . 1 . 2]" 1
1364 1 69 SER HA 1 70 THR MG . . 4.630 4.240 4.036 4.596 . 0 0 "[ . 1 . 2]" 1
1365 1 70 THR HA 1 71 HIS HB3 . . 5.150 4.979 4.664 5.151 0.001 14 0 "[ . 1 . 2]" 1
1366 1 70 THR HA 1 71 HIS HB2 . . 5.150 4.379 4.304 4.497 . 0 0 "[ . 1 . 2]" 1
1367 1 72 GLU HA 1 74 ALA H . . 5.290 4.665 4.257 5.050 . 0 0 "[ . 1 . 2]" 1
1368 1 72 GLU HA 1 95 TRP HH2 . . 5.500 5.255 4.936 5.494 . 0 0 "[ . 1 . 2]" 1
1369 1 71 HIS HD2 1 72 GLU HA . . 4.670 4.258 3.465 4.603 . 0 0 "[ . 1 . 2]" 1
1370 1 49 PHE HB3 1 77 ALA HA . . 4.710 3.496 3.241 3.750 . 0 0 "[ . 1 . 2]" 1
1371 1 78 ILE HA 1 79 VAL MG1 . . 5.500 5.179 5.001 5.337 . 0 0 "[ . 1 . 2]" 1
1372 1 78 ILE HA 1 79 VAL MG2 . . 5.500 4.734 4.612 4.882 . 0 0 "[ . 1 . 2]" 1
1373 1 78 ILE HA 1 81 VAL HB . . 5.400 2.902 2.760 3.054 . 0 0 "[ . 1 . 2]" 1
1374 1 79 VAL HA 1 82 ASN HB3 . . 5.100 3.148 2.817 3.390 . 0 0 "[ . 1 . 2]" 1
1375 1 79 VAL HA 1 82 ASN H . . 4.940 4.322 4.068 4.658 . 0 0 "[ . 1 . 2]" 1
1376 1 82 ASN HB3 1 93 CYS H . . 5.130 4.870 4.375 5.099 . 0 0 "[ . 1 . 2]" 1
1377 1 87 GLU HB3 1 89 HIS H . . 5.500 4.774 4.609 4.964 . 0 0 "[ . 1 . 2]" 1
1378 1 33 ILE MG 1 87 GLU HB3 . . 5.250 4.942 4.270 5.141 . 0 0 "[ . 1 . 2]" 1
1379 1 87 GLU HB2 1 88 GLY H . . 5.090 4.082 3.925 4.238 . 0 0 "[ . 1 . 2]" 1
1380 1 87 GLU HB2 1 89 HIS H . . 5.380 3.717 3.578 3.855 . 0 0 "[ . 1 . 2]" 1
1381 1 87 GLU H 1 87 GLU HG3 . . 4.920 4.172 3.865 4.335 . 0 0 "[ . 1 . 2]" 1
1382 1 89 HIS HB3 1 91 VAL MG1 . . 4.190 4.091 3.759 4.187 . 0 0 "[ . 1 . 2]" 1
1383 1 33 ILE HG13 1 89 HIS HB3 . . 5.290 3.881 3.637 4.331 . 0 0 "[ . 1 . 2]" 1
1384 1 34 ALA MB 1 89 HIS HB3 . . 5.500 4.965 4.591 5.252 . 0 0 "[ . 1 . 2]" 1
1385 1 82 ASN HB2 1 92 LYS HA . . 5.390 5.179 4.759 5.333 . 0 0 "[ . 1 . 2]" 1
1386 1 31 GLY H 1 92 LYS HG2 . . 5.320 4.332 1.897 5.343 0.023 13 0 "[ . 1 . 2]" 1
1387 1 31 GLY H 1 92 LYS HG3 . . 5.320 4.516 2.887 5.226 . 0 0 "[ . 1 . 2]" 1
1388 1 92 LYS HG3 1 94 TYR QE . . 5.030 3.660 2.004 4.429 . 0 0 "[ . 1 . 2]" 1
1389 1 78 ILE HA 1 93 CYS HA . . 4.870 4.580 4.463 4.714 . 0 0 "[ . 1 . 2]" 1
1390 1 93 CYS HA 1 94 TYR QD . . 5.230 4.614 4.482 4.718 . 0 0 "[ . 1 . 2]" 1
1391 1 65 PHE QE 1 96 GLY HA3 . . 4.760 3.093 2.004 3.825 . 0 0 "[ . 1 . 2]" 1
1392 1 33 ILE MD 1 45 THR HG1 . . 5.500 5.406 5.283 5.504 0.004 4 0 "[ . 1 . 2]" 1
1393 1 33 ILE MD 1 91 VAL HA . . 5.500 4.536 4.314 5.007 . 0 0 "[ . 1 . 2]" 1
1394 1 31 GLY HA2 1 33 ILE MD . . 5.370 4.880 4.402 5.066 . 0 0 "[ . 1 . 2]" 1
1395 1 31 GLY H 1 33 ILE MD . . 5.500 5.478 5.418 5.512 0.012 5 0 "[ . 1 . 2]" 1
1396 1 33 ILE MD 1 86 ILE H . . 5.500 5.147 4.893 5.362 . 0 0 "[ . 1 . 2]" 1
1397 1 65 PHE QE 1 96 GLY HA2 . . 4.760 2.757 2.223 3.161 . 0 0 "[ . 1 . 2]" 1
1398 1 29 TYR H 1 78 ILE MD . . 4.820 4.133 3.863 4.430 . 0 0 "[ . 1 . 2]" 1
1399 1 33 ILE MG 1 89 HIS HE1 . . 5.500 5.484 5.391 5.515 0.015 11 0 "[ . 1 . 2]" 1
1400 1 34 ALA H 1 89 HIS HE1 . . 5.090 4.714 4.462 4.874 . 0 0 "[ . 1 . 2]" 1
1401 1 29 TYR HB2 1 94 TYR QD . . 5.060 4.685 4.563 4.759 . 0 0 "[ . 1 . 2]" 1
1402 1 29 TYR QE 1 94 TYR QD . . 4.730 3.196 2.634 3.507 . 0 0 "[ . 1 . 2]" 1
1403 1 31 GLY H 1 94 TYR QD . . 5.500 4.938 4.459 5.476 . 0 0 "[ . 1 . 2]" 1
1404 1 42 MET ME 1 46 PHE QD . . 5.020 4.634 4.056 4.863 . 0 0 "[ . 1 . 2]" 1
1405 1 45 THR MG 1 46 PHE HZ . . 5.170 4.037 3.840 4.302 . 0 0 "[ . 1 . 2]" 1
1406 1 46 PHE HZ 1 66 VAL MG2 . . 5.490 3.598 3.214 3.867 . 0 0 "[ . 1 . 2]" 1
1407 1 46 PHE HZ 1 93 CYS HG . . 4.850 2.631 2.267 2.957 . 0 0 "[ . 1 . 2]" 1
1408 1 46 PHE HZ 1 81 VAL HB . . 5.010 4.624 4.033 4.881 . 0 0 "[ . 1 . 2]" 1
1409 1 14 PHE HZ 1 18 VAL MG2 . . 4.730 3.769 2.453 4.658 . 0 0 "[ . 1 . 2]" 1
1410 1 18 VAL HB 1 71 HIS HD2 . . 4.620 3.050 2.295 4.444 . 0 0 "[ . 1 . 2]" 1
1411 1 20 GLN HB2 1 95 TRP HE1 . . 4.100 2.479 2.198 2.623 . 0 0 "[ . 1 . 2]" 1
1412 1 33 ILE HG13 1 89 HIS HD2 . . 5.500 5.376 5.175 5.507 0.007 7 0 "[ . 1 . 2]" 1
1413 1 87 GLU HB3 1 89 HIS HD2 . . 4.680 3.065 2.771 3.356 . 0 0 "[ . 1 . 2]" 1
1414 1 34 ALA H 1 89 HIS HD2 . . 4.980 4.594 4.086 4.987 0.007 5 0 "[ . 1 . 2]" 1
1415 1 18 VAL HA 1 75 ALA HA . . 5.160 4.970 4.574 5.158 . 0 0 "[ . 1 . 2]" 1
1416 1 18 VAL HA 1 95 TRP HH2 . . 4.640 4.368 3.873 4.631 . 0 0 "[ . 1 . 2]" 1
1417 1 18 VAL HA 1 95 TRP HZ2 . . 3.300 2.878 2.457 3.079 . 0 0 "[ . 1 . 2]" 1
1418 1 18 VAL HB 1 95 TRP HZ2 . . 5.320 4.998 4.455 5.332 0.012 14 0 "[ . 1 . 2]" 1
1419 1 18 VAL HA 1 71 HIS HE1 . . 5.110 4.381 3.733 4.965 . 0 0 "[ . 1 . 2]" 1
1420 1 71 HIS HE1 1 95 TRP HH2 . . 4.450 3.625 3.011 3.983 . 0 0 "[ . 1 . 2]" 1
1421 1 29 TYR QE 1 92 LYS HB2 . . 4.720 4.228 4.039 4.401 . 0 0 "[ . 1 . 2]" 1
1422 1 14 PHE QE 1 15 GLU H . . 5.500 5.232 4.737 5.476 . 0 0 "[ . 1 . 2]" 1
1423 1 73 SER HB2 1 74 ALA MB . . 5.500 4.305 3.816 5.298 . 0 0 "[ . 1 . 2]" 1
1424 1 68 PHE QD 1 73 SER HB2 . . 4.310 2.838 2.099 4.072 . 0 0 "[ . 1 . 2]" 1
1425 1 30 CYS HB3 1 66 VAL MG2 . . 5.200 4.121 3.697 4.570 . 0 0 "[ . 1 . 2]" 1
1426 1 30 CYS HB3 1 33 ILE MD . . 4.320 3.896 3.671 4.253 . 0 0 "[ . 1 . 2]" 1
1427 1 30 CYS HB3 1 93 CYS HG . . 5.330 4.821 4.303 5.174 . 0 0 "[ . 1 . 2]" 1
1428 1 55 ILE HG13 1 66 VAL HA . . 4.670 4.400 4.138 4.659 . 0 0 "[ . 1 . 2]" 1
1429 1 30 CYS HA 1 91 VAL MG1 . . 5.500 5.131 4.981 5.367 . 0 0 "[ . 1 . 2]" 1
1430 1 30 CYS HA 1 91 VAL MG2 . . 5.500 4.910 4.417 5.221 . 0 0 "[ . 1 . 2]" 1
1431 1 28 VAL MG1 1 30 CYS HA . . 4.940 4.047 3.950 4.142 . 0 0 "[ . 1 . 2]" 1
1432 1 30 CYS HA 1 30 CYS HG . . 4.120 2.734 2.305 3.702 . 0 0 "[ . 1 . 2]" 1
1433 1 29 TYR QD 1 30 CYS HA . . 4.890 3.852 3.568 4.040 . 0 0 "[ . 1 . 2]" 1
1434 1 46 PHE QD 1 49 PHE HB3 . . 5.080 3.281 3.102 3.453 . 0 0 "[ . 1 . 2]" 1
1435 1 49 PHE HB3 1 77 ALA H . . 4.750 3.796 3.615 3.924 . 0 0 "[ . 1 . 2]" 1
1436 1 46 PHE QD 1 49 PHE HB2 . . 4.460 2.882 2.766 3.039 . 0 0 "[ . 1 . 2]" 1
1437 1 46 PHE QD 1 49 PHE QD . . 4.050 2.792 2.215 3.246 . 0 0 "[ . 1 . 2]" 1
1438 1 46 PHE HA 1 49 PHE QE . . 4.590 4.437 4.295 4.601 0.011 16 0 "[ . 1 . 2]" 1
1439 1 49 PHE HZ 1 77 ALA HA . . 5.400 3.688 3.356 3.888 . 0 0 "[ . 1 . 2]" 1
1440 1 85 THR HA 1 90 VAL HB . . 5.100 4.329 4.067 4.478 . 0 0 "[ . 1 . 2]" 1
1441 1 48 PRO HD2 1 50 GLY H . . 5.500 4.493 4.445 4.554 . 0 0 "[ . 1 . 2]" 1
1442 1 85 THR HA 1 88 GLY H . . 5.500 4.874 4.588 5.234 . 0 0 "[ . 1 . 2]" 1
1443 1 46 PHE HB3 1 68 PHE HZ . . 3.380 2.021 1.994 2.203 . 0 0 "[ . 1 . 2]" 1
1444 1 46 PHE HB2 1 68 PHE HZ . . 3.930 3.631 3.474 3.800 . 0 0 "[ . 1 . 2]" 1
1445 1 45 THR MG 1 46 PHE HB2 . . 5.340 4.508 4.259 4.948 . 0 0 "[ . 1 . 2]" 1
1446 1 46 PHE QE 1 66 VAL MG1 . . 5.500 3.568 3.376 3.820 . 0 0 "[ . 1 . 2]" 1
1447 1 42 MET HB3 1 46 PHE QE . . 4.980 2.864 2.511 3.385 . 0 0 "[ . 1 . 2]" 1
1448 1 42 MET HA 1 46 PHE QE . . 5.460 3.611 3.430 3.799 . 0 0 "[ . 1 . 2]" 1
1449 1 45 THR HA 1 45 THR HG1 . . 4.050 2.926 2.705 3.181 . 0 0 "[ . 1 . 2]" 1
1450 1 45 THR HB 1 46 PHE HB2 . . 5.390 4.571 4.451 4.658 . 0 0 "[ . 1 . 2]" 1
1451 1 51 GLN HA 1 51 GLN HG3 . . 3.980 2.265 2.018 2.806 . 0 0 "[ . 1 . 2]" 1
1452 1 44 GLN QG 1 45 THR HG1 . . 5.410 5.314 5.066 5.413 0.003 16 0 "[ . 1 . 2]" 1
1453 1 44 GLN QG 1 48 PRO HD3 . . 5.500 4.184 3.950 4.533 . 0 0 "[ . 1 . 2]" 1
1454 1 40 GLN QG 1 43 ARG QB . . 4.600 3.883 3.507 4.546 . 0 0 "[ . 1 . 2]" 1
1455 1 42 MET HA 1 45 THR HG1 . . 4.570 3.547 3.252 4.000 . 0 0 "[ . 1 . 2]" 1
1456 1 41 LEU HA 1 45 THR HG1 . . 4.820 3.698 3.399 4.010 . 0 0 "[ . 1 . 2]" 1
1457 1 40 GLN HA 1 41 LEU HA . . 5.080 4.795 4.701 4.842 . 0 0 "[ . 1 . 2]" 1
1458 1 41 LEU HA 1 43 ARG H . . 5.500 4.509 4.235 4.763 . 0 0 "[ . 1 . 2]" 1
1459 1 41 LEU HG 1 45 THR HG1 . . 4.620 3.050 2.714 3.986 . 0 0 "[ . 1 . 2]" 1
1460 1 37 LEU HA 1 41 LEU HG . . 5.500 5.259 4.985 5.503 0.003 4 0 "[ . 1 . 2]" 1
1461 1 41 LEU HG 1 45 THR HB . . 5.500 4.301 3.844 5.504 0.004 4 0 "[ . 1 . 2]" 1
1462 1 38 THR HG1 1 40 GLN HB2 . . 5.410 4.869 4.413 5.408 . 0 0 "[ . 1 . 2]" 1
1463 1 38 THR H 1 39 ASP HA . . 5.500 4.960 4.874 5.059 . 0 0 "[ . 1 . 2]" 1
1464 1 39 ASP HA 1 55 ILE HB . . 4.840 4.350 4.050 4.613 . 0 0 "[ . 1 . 2]" 1
1465 1 39 ASP HA 1 57 VAL HB . . 5.230 4.664 4.478 4.871 . 0 0 "[ . 1 . 2]" 1
1466 1 38 THR HA 1 38 THR MG . . 3.630 2.248 2.154 2.385 . 0 0 "[ . 1 . 2]" 1
1467 1 26 CYS HA 1 71 HIS HA . . 4.020 3.891 3.491 4.017 . 0 0 "[ . 1 . 2]" 1
1468 1 38 THR HB 1 39 ASP QB . . 4.870 4.326 4.170 4.772 . 0 0 "[ . 1 . 2]" 1
1469 1 38 THR HB 1 39 ASP HA . . 5.460 4.981 4.857 5.090 . 0 0 "[ . 1 . 2]" 1
1470 1 38 THR HB 1 40 GLN HA . . 5.500 5.231 5.063 5.432 . 0 0 "[ . 1 . 2]" 1
1471 1 37 LEU HA 1 41 LEU HB2 . . 4.770 4.659 4.309 4.768 . 0 0 "[ . 1 . 2]" 1
1472 1 37 LEU HB2 1 59 PRO HB3 . . 4.210 3.263 2.844 3.600 . 0 0 "[ . 1 . 2]" 1
1473 1 37 LEU MD1 1 38 THR H . . 5.420 4.722 4.498 5.027 . 0 0 "[ . 1 . 2]" 1
1474 1 37 LEU MD1 1 57 VAL H . . 5.500 4.820 4.587 5.135 . 0 0 "[ . 1 . 2]" 1
1475 1 37 LEU MD2 1 57 VAL H . . 5.500 4.762 4.546 4.980 . 0 0 "[ . 1 . 2]" 1
1476 1 37 LEU MD2 1 64 SER H . . 5.500 4.813 4.479 4.978 . 0 0 "[ . 1 . 2]" 1
1477 1 37 LEU MD2 1 38 THR HG1 . . 5.500 4.673 4.065 5.400 . 0 0 "[ . 1 . 2]" 1
1478 1 36 GLY HA3 1 87 GLU HG3 . . 5.400 3.730 3.349 3.929 . 0 0 "[ . 1 . 2]" 1
1479 1 36 GLY HA3 1 38 THR MG . . 5.280 5.024 4.610 5.275 . 0 0 "[ . 1 . 2]" 1
1480 1 36 GLY HA2 1 38 THR MG . . 5.280 3.893 3.573 4.161 . 0 0 "[ . 1 . 2]" 1
1481 1 35 SER QB 1 89 HIS HE1 . . 4.500 3.865 3.338 4.490 . 0 0 "[ . 1 . 2]" 1
1482 1 33 ILE HA 1 33 ILE HG12 . . 3.610 3.042 2.951 3.185 . 0 0 "[ . 1 . 2]" 1
1483 1 33 ILE HA 1 33 ILE HG13 . . 3.640 2.666 2.563 2.759 . 0 0 "[ . 1 . 2]" 1
1484 1 33 ILE HA 1 89 HIS HD2 . . 4.680 4.221 3.731 4.544 . 0 0 "[ . 1 . 2]" 1
1485 1 33 ILE HG13 1 89 HIS HB2 . . 4.990 3.444 3.284 3.597 . 0 0 "[ . 1 . 2]" 1
1486 1 33 ILE HG13 1 91 VAL HB . . 5.500 4.644 4.484 4.885 . 0 0 "[ . 1 . 2]" 1
1487 1 33 ILE HG13 1 42 MET ME . . 4.940 4.025 3.875 4.162 . 0 0 "[ . 1 . 2]" 1
1488 1 33 ILE HG12 1 89 HIS HB3 . . 5.180 4.491 4.048 5.159 . 0 0 "[ . 1 . 2]" 1
1489 1 33 ILE HG12 1 42 MET ME . . 4.660 3.847 3.532 4.087 . 0 0 "[ . 1 . 2]" 1
1490 1 33 ILE HG12 1 86 ILE HB . . 4.150 3.333 2.996 3.607 . 0 0 "[ . 1 . 2]" 1
1491 1 42 MET HG3 1 57 VAL MG2 . . 5.500 5.415 5.186 5.509 0.009 11 0 "[ . 1 . 2]" 1
1492 1 31 GLY HA2 1 63 TYR QD . . 5.480 4.829 4.520 4.923 . 0 0 "[ . 1 . 2]" 1
1493 1 30 CYS HA 1 31 GLY HA3 . . 5.190 4.410 4.393 4.431 . 0 0 "[ . 1 . 2]" 1
1494 1 30 CYS HB3 1 46 PHE QE . . 4.130 3.945 3.410 4.135 0.005 20 0 "[ . 1 . 2]" 1
1495 1 28 VAL HA 1 29 TYR HA . . 4.720 4.415 4.413 4.417 . 0 0 "[ . 1 . 2]" 1
1496 1 29 TYR HA 1 65 PHE QD . . 4.340 3.039 2.650 3.226 . 0 0 "[ . 1 . 2]" 1
1497 1 29 TYR HB3 1 93 CYS HA . . 5.500 4.472 4.382 4.516 . 0 0 "[ . 1 . 2]" 1
1498 1 29 TYR HB3 1 30 CYS H . . 5.190 4.379 4.281 4.512 . 0 0 "[ . 1 . 2]" 1
1499 1 29 TYR HB2 1 65 PHE QE . . 5.020 2.790 2.587 2.988 . 0 0 "[ . 1 . 2]" 1
1500 1 29 TYR QD 1 92 LYS QD . . 5.500 4.935 3.897 5.316 . 0 0 "[ . 1 . 2]" 1
1501 1 29 TYR QD 1 31 GLY H . . 4.700 3.561 3.231 3.887 . 0 0 "[ . 1 . 2]" 1
1502 1 29 TYR H 1 29 TYR QD . . 4.620 4.139 3.994 4.198 . 0 0 "[ . 1 . 2]" 1
1503 1 29 TYR QD 1 94 TYR QD . . 5.190 2.170 1.996 2.438 . 0 0 "[ . 1 . 2]" 1
1504 1 29 TYR QD 1 65 PHE QE . . 4.140 2.282 2.004 3.471 . 0 0 "[ . 1 . 2]" 1
1505 1 29 TYR QD 1 30 CYS H . . 4.440 3.852 3.678 4.052 . 0 0 "[ . 1 . 2]" 1
1506 1 29 TYR QE 1 31 GLY HA2 . . 4.490 3.823 3.333 4.458 . 0 0 "[ . 1 . 2]" 1
1507 1 28 VAL HA 1 29 TYR HB3 . . 5.240 4.553 4.431 4.617 . 0 0 "[ . 1 . 2]" 1
1508 1 28 VAL HB 1 78 ILE MD . . 4.860 4.686 4.529 4.859 . 0 0 "[ . 1 . 2]" 1
1509 1 28 VAL HB 1 68 PHE QE . . 4.580 2.577 2.207 3.286 . 0 0 "[ . 1 . 2]" 1
1510 1 28 VAL HB 1 78 ILE HG12 . . 5.500 5.260 4.927 5.504 0.004 8 0 "[ . 1 . 2]" 1
1511 1 28 VAL MG1 1 46 PHE HZ . . 3.820 2.534 2.239 2.816 . 0 0 "[ . 1 . 2]" 1
1512 1 28 VAL MG1 1 68 PHE QE . . 3.900 2.984 2.788 3.344 . 0 0 "[ . 1 . 2]" 1
1513 1 28 VAL MG1 1 29 TYR HA . . 5.500 3.932 3.835 4.028 . 0 0 "[ . 1 . 2]" 1
1514 1 28 VAL MG2 1 46 PHE QE . . 4.450 3.971 3.595 4.301 . 0 0 "[ . 1 . 2]" 1
1515 1 27 THR HA 1 28 VAL MG2 . . 4.530 3.602 3.373 3.801 . 0 0 "[ . 1 . 2]" 1
1516 1 27 THR HA 1 28 VAL HB . . 4.800 4.482 4.369 4.604 . 0 0 "[ . 1 . 2]" 1
1517 1 27 THR HB 1 96 GLY H . . 4.560 2.588 2.001 2.898 . 0 0 "[ . 1 . 2]" 1
1518 1 27 THR HB 1 28 VAL H . . 5.270 3.620 3.432 3.879 . 0 0 "[ . 1 . 2]" 1
1519 1 27 THR MG 1 28 VAL HB . . 4.430 4.274 4.177 4.350 . 0 0 "[ . 1 . 2]" 1
1520 1 61 LYS HA 1 61 LYS HD3 . . 4.160 3.450 2.031 4.142 . 0 0 "[ . 1 . 2]" 1
1521 1 23 PRO HA 1 71 HIS HD2 . . 4.430 4.076 3.678 4.442 0.012 14 0 "[ . 1 . 2]" 1
1522 1 22 SER HA 1 23 PRO HD3 . . 3.160 2.278 2.254 2.328 . 0 0 "[ . 1 . 2]" 1
1523 1 21 SER HB2 1 95 TRP HB2 . . 4.950 3.939 3.083 4.855 . 0 0 "[ . 1 . 2]" 1
1524 1 21 SER HB2 1 25 ASN HD21 . . 4.500 3.727 2.652 4.325 . 0 0 "[ . 1 . 2]" 1
1525 1 21 SER HB2 1 71 HIS HE1 . . 5.210 3.509 2.116 4.825 . 0 0 "[ . 1 . 2]" 1
1526 1 20 GLN HA 1 95 TRP HE1 . . 5.500 5.385 5.120 5.501 0.001 18 0 "[ . 1 . 2]" 1
1527 1 19 ASN HA 1 21 SER H . . 4.310 4.037 3.625 4.304 . 0 0 "[ . 1 . 2]" 1
1528 1 19 ASN H 1 19 ASN HB2 . . 4.150 3.067 2.124 4.091 . 0 0 "[ . 1 . 2]" 1
1529 1 17 VAL HA 1 20 GLN HE21 . . 5.130 3.832 2.907 5.009 . 0 0 "[ . 1 . 2]" 1
1530 1 16 ASP H 1 17 VAL HA . . 5.500 5.040 4.894 5.150 . 0 0 "[ . 1 . 2]" 1
1531 1 17 VAL HA 1 21 SER H . . 5.500 5.153 4.830 5.499 . 0 0 "[ . 1 . 2]" 1
1532 1 17 VAL HA 1 20 GLN HE22 . . 5.130 4.633 2.856 5.087 . 0 0 "[ . 1 . 2]" 1
1533 1 17 VAL HB 1 78 ILE MG . . 4.850 4.327 3.923 4.833 . 0 0 "[ . 1 . 2]" 1
1534 1 15 GLU HA 1 18 VAL HB . . 4.970 4.548 3.341 4.966 . 0 0 "[ . 1 . 2]" 1
1535 1 15 GLU HA 1 18 VAL H . . 4.760 3.806 3.598 4.062 . 0 0 "[ . 1 . 2]" 1
1536 1 15 GLU HA 1 18 VAL MG1 . . 4.610 3.154 1.956 4.419 . 0 0 "[ . 1 . 2]" 1
1537 1 14 PHE QD 1 15 GLU HB2 . . 5.240 4.589 4.065 4.974 . 0 0 "[ . 1 . 2]" 1
1538 1 14 PHE QD 1 15 GLU HB3 . . 5.240 4.866 4.293 5.191 . 0 0 "[ . 1 . 2]" 1
1539 1 14 PHE QE 1 15 GLU HG2 . . 5.260 4.549 4.143 5.104 . 0 0 "[ . 1 . 2]" 1
1540 1 14 PHE QE 1 15 GLU HG3 . . 5.260 4.686 3.902 5.248 . 0 0 "[ . 1 . 2]" 1
1541 1 14 PHE QD 1 15 GLU HG2 . . 4.750 3.512 3.117 3.901 . 0 0 "[ . 1 . 2]" 1
1542 1 14 PHE QD 1 79 VAL HB . . 5.420 4.968 4.517 5.339 . 0 0 "[ . 1 . 2]" 1
1543 1 14 PHE QD 1 72 GLU HA . . 5.410 5.139 4.569 5.390 . 0 0 "[ . 1 . 2]" 1
1544 1 13 ARG HB2 1 15 GLU H . . 5.150 4.428 3.540 4.860 . 0 0 "[ . 1 . 2]" 1
1545 1 13 ARG HG2 1 15 GLU H . . 5.500 5.343 5.006 5.501 0.001 20 0 "[ . 1 . 2]" 1
1546 1 13 ARG HG3 1 15 GLU H . . 5.500 5.260 4.824 5.500 . 0 0 "[ . 1 . 2]" 1
1547 1 56 ARG QB 1 56 ARG HD2 . . 3.280 2.947 2.353 3.283 0.003 14 0 "[ . 1 . 2]" 1
1548 1 56 ARG QB 1 56 ARG HD3 . . 3.280 2.530 2.232 2.910 . 0 0 "[ . 1 . 2]" 1
1549 1 13 ARG HB2 1 13 ARG QD . . 3.450 3.217 2.746 3.340 . 0 0 "[ . 1 . 2]" 1
1550 1 13 ARG HB3 1 13 ARG QD . . 3.450 2.153 1.971 2.395 . 0 0 "[ . 1 . 2]" 1
1551 1 13 ARG H 1 13 ARG QD . . 4.800 4.442 3.916 4.698 . 0 0 "[ . 1 . 2]" 1
1552 1 13 ARG QD 1 16 ASP H . . 5.170 4.272 3.818 4.623 . 0 0 "[ . 1 . 2]" 1
1553 1 56 ARG HD2 1 58 PHE QE . . 5.400 2.530 2.129 3.731 . 0 0 "[ . 1 . 2]" 1
1554 1 56 ARG HD3 1 58 PHE QE . . 5.400 2.920 2.093 4.311 . 0 0 "[ . 1 . 2]" 1
1555 1 51 GLN HA 1 51 GLN HG2 . . 3.980 3.113 2.296 3.662 . 0 0 "[ . 1 . 2]" 1
1556 1 51 GLN HA 1 52 ILE MD . . 5.470 4.517 4.249 4.743 . 0 0 "[ . 1 . 2]" 1
1557 1 51 GLN HA 1 52 ILE HA . . 5.140 4.393 4.377 4.405 . 0 0 "[ . 1 . 2]" 1
1558 1 52 ILE HG12 1 66 VAL MG1 . . 3.540 2.479 2.188 2.700 . 0 0 "[ . 1 . 2]" 1
1559 1 47 SER HA 1 52 ILE HG12 . . 5.330 4.909 4.585 5.311 . 0 0 "[ . 1 . 2]" 1
1560 1 52 ILE HG12 1 68 PHE QD . . 4.830 4.374 3.979 4.648 . 0 0 "[ . 1 . 2]" 1
1561 1 52 ILE HG12 1 68 PHE QE . . 4.990 3.612 3.196 3.832 . 0 0 "[ . 1 . 2]" 1
1562 1 52 ILE MG 1 68 PHE QD . . 5.350 4.536 4.228 4.879 . 0 0 "[ . 1 . 2]" 1
1563 1 52 ILE MG 1 68 PHE QE . . 5.500 4.464 4.266 4.740 . 0 0 "[ . 1 . 2]" 1
1564 1 52 ILE HG12 1 52 ILE MG . . 3.510 2.256 2.176 2.313 . 0 0 "[ . 1 . 2]" 1
1565 1 43 ARG H 1 52 ILE MD . . 5.140 4.352 4.112 4.494 . 0 0 "[ . 1 . 2]" 1
1566 1 52 ILE MD 1 68 PHE HZ . . 4.480 4.203 3.913 4.482 0.002 8 0 "[ . 1 . 2]" 1
1567 1 53 MET HA 1 53 MET HG2 . . 4.220 3.053 2.669 3.621 . 0 0 "[ . 1 . 2]" 1
1568 1 53 MET HG2 1 68 PHE HA . . 4.950 3.483 2.429 4.045 . 0 0 "[ . 1 . 2]" 1
1569 1 53 MET HG2 1 54 GLU H . . 5.130 4.223 3.643 4.630 . 0 0 "[ . 1 . 2]" 1
1570 1 53 MET ME 1 53 MET HG3 . . 3.610 2.896 2.277 3.258 . 0 0 "[ . 1 . 2]" 1
1571 1 53 MET H 1 53 MET ME . . 5.500 4.006 3.189 4.549 . 0 0 "[ . 1 . 2]" 1
1572 1 54 GLU HA 1 55 ILE HG13 . . 5.320 3.683 3.498 3.849 . 0 0 "[ . 1 . 2]" 1
1573 1 54 GLU HA 1 54 GLU HG3 . . 3.590 2.368 2.107 3.365 . 0 0 "[ . 1 . 2]" 1
1574 1 42 MET HB2 1 55 ILE HB . . 5.500 4.934 4.539 5.133 . 0 0 "[ . 1 . 2]" 1
1575 1 42 MET HG3 1 55 ILE MD . . 5.080 4.529 4.227 4.803 . 0 0 "[ . 1 . 2]" 1
1576 1 44 GLN H 1 55 ILE MD . . 5.160 4.620 4.442 4.810 . 0 0 "[ . 1 . 2]" 1
1577 1 55 ILE H 1 55 ILE MD . . 5.420 4.290 4.137 4.477 . 0 0 "[ . 1 . 2]" 1
1578 1 13 ARG QD 1 15 GLU H . . 5.500 3.317 2.910 4.049 . 0 0 "[ . 1 . 2]" 1
1579 1 37 LEU MD1 1 58 PHE QD . . 5.430 4.175 4.023 4.332 . 0 0 "[ . 1 . 2]" 1
1580 1 57 VAL H 1 58 PHE QD . . 5.080 4.505 3.936 5.035 . 0 0 "[ . 1 . 2]" 1
1581 1 58 PHE QD 1 64 SER HA . . 3.840 2.867 2.462 3.459 . 0 0 "[ . 1 . 2]" 1
1582 1 56 ARG QG 1 58 PHE QE . . 4.170 2.845 2.372 3.577 . 0 0 "[ . 1 . 2]" 1
1583 1 57 VAL H 1 58 PHE QE . . 5.500 4.983 4.603 5.379 . 0 0 "[ . 1 . 2]" 1
1584 1 58 PHE QE 1 65 PHE H . . 5.500 4.746 4.298 5.223 . 0 0 "[ . 1 . 2]" 1
1585 1 37 LEU H 1 59 PRO HA . . 4.620 4.527 4.322 4.625 0.005 15 0 "[ . 1 . 2]" 1
1586 1 37 LEU HG 1 59 PRO HA . . 4.510 4.310 3.952 4.478 . 0 0 "[ . 1 . 2]" 1
1587 1 37 LEU HG 1 59 PRO HB3 . . 5.500 5.086 4.790 5.268 . 0 0 "[ . 1 . 2]" 1
1588 1 38 THR MG 1 59 PRO HB3 . . 5.500 4.905 4.694 5.133 . 0 0 "[ . 1 . 2]" 1
1589 1 58 PHE H 1 59 PRO HD2 . . 5.020 4.248 4.206 4.304 . 0 0 "[ . 1 . 2]" 1
1590 1 61 LYS H 1 62 GLY HA3 . . 5.040 4.781 4.666 4.870 . 0 0 "[ . 1 . 2]" 1
1591 1 37 LEU MD1 1 63 TYR QD . . 5.500 4.561 4.414 4.776 . 0 0 "[ . 1 . 2]" 1
1592 1 63 TYR QD 1 64 SER HA . . 4.480 2.955 2.672 3.857 . 0 0 "[ . 1 . 2]" 1
1593 1 63 TYR QE 1 64 SER H . . 5.500 4.802 4.440 5.032 . 0 0 "[ . 1 . 2]" 1
1594 1 63 TYR QE 1 65 PHE H . . 5.500 4.795 4.307 5.321 . 0 0 "[ . 1 . 2]" 1
1595 1 65 PHE HA 1 66 VAL HB . . 4.880 4.589 4.394 4.720 . 0 0 "[ . 1 . 2]" 1
1596 1 65 PHE HA 1 66 VAL HA . . 5.130 4.430 4.399 4.490 . 0 0 "[ . 1 . 2]" 1
1597 1 29 TYR QD 1 65 PHE QD . . 4.690 3.517 3.282 4.152 . 0 0 "[ . 1 . 2]" 1
1598 1 29 TYR HB3 1 65 PHE QD . . 5.250 5.125 4.973 5.248 . 0 0 "[ . 1 . 2]" 1
1599 1 56 ARG QG 1 65 PHE QD . . 4.790 3.751 3.597 3.829 . 0 0 "[ . 1 . 2]" 1
1600 1 63 TYR QE 1 65 PHE QD . . 4.680 2.717 2.290 3.260 . 0 0 "[ . 1 . 2]" 1
1601 1 55 ILE HG12 1 66 VAL HA . . 4.630 3.130 2.998 3.288 . 0 0 "[ . 1 . 2]" 1
1602 1 66 VAL HB 1 68 PHE QE . . 4.730 3.072 2.700 3.624 . 0 0 "[ . 1 . 2]" 1
1603 1 65 PHE H 1 66 VAL MG2 . . 5.030 3.640 3.471 3.936 . 0 0 "[ . 1 . 2]" 1
1604 1 46 PHE HA 1 66 VAL MG1 . . 5.370 4.928 4.734 5.135 . 0 0 "[ . 1 . 2]" 1
1605 1 67 ARG HA 1 68 PHE QD . . 4.680 3.415 2.966 3.828 . 0 0 "[ . 1 . 2]" 1
1606 1 68 PHE HA 1 69 SER HA . . 5.480 4.320 4.305 4.369 . 0 0 "[ . 1 . 2]" 1
1607 1 53 MET ME 1 69 SER HB2 . . 4.220 2.738 1.972 3.734 . 0 0 "[ . 1 . 2]" 1
1608 1 69 SER H 1 69 SER HB2 . . 3.680 3.078 2.323 3.643 . 0 0 "[ . 1 . 2]" 1
1609 1 70 THR HB 1 73 SER H . . 5.250 3.369 2.600 3.731 . 0 0 "[ . 1 . 2]" 1
1610 1 23 PRO HA 1 71 HIS HB2 . . 5.500 2.957 2.216 3.531 . 0 0 "[ . 1 . 2]" 1
1611 1 23 PRO HA 1 71 HIS HB3 . . 5.500 3.784 3.173 4.320 . 0 0 "[ . 1 . 2]" 1
1612 1 71 HIS HD2 1 75 ALA MB . . 5.380 3.635 2.757 4.260 . 0 0 "[ . 1 . 2]" 1
1613 1 18 VAL HA 1 71 HIS HD2 . . 5.350 2.561 2.001 3.295 . 0 0 "[ . 1 . 2]" 1
1614 1 28 VAL H 1 74 ALA MB . . 5.500 4.654 4.481 4.881 . 0 0 "[ . 1 . 2]" 1
1615 1 72 GLU H 1 74 ALA MB . . 5.500 4.839 4.620 5.051 . 0 0 "[ . 1 . 2]" 1
1616 1 75 ALA MB 1 76 HIS HA . . 5.060 3.784 3.634 3.880 . 0 0 "[ . 1 . 2]" 1
1617 1 76 HIS HA 1 80 SER H . . 4.590 4.428 4.224 4.582 . 0 0 "[ . 1 . 2]" 1
1618 1 49 PHE QD 1 76 HIS HB2 . . 4.250 3.946 3.706 4.126 . 0 0 "[ . 1 . 2]" 1
1619 1 72 GLU HB3 1 76 HIS HD2 . . 4.660 3.000 2.591 3.347 . 0 0 "[ . 1 . 2]" 1
1620 1 72 GLU HB2 1 76 HIS HD2 . . 5.030 4.451 3.776 4.924 . 0 0 "[ . 1 . 2]" 1
1621 1 14 PHE QE 1 76 HIS HE1 . . 4.790 3.863 2.868 4.390 . 0 0 "[ . 1 . 2]" 1
1622 1 14 PHE HZ 1 76 HIS HE1 . . 5.500 4.808 4.054 5.483 . 0 0 "[ . 1 . 2]" 1
1623 1 14 PHE QD 1 76 HIS HE1 . . 4.780 3.966 3.102 4.739 . 0 0 "[ . 1 . 2]" 1
1624 1 49 PHE HA 1 77 ALA MB . . 5.300 4.118 4.027 4.231 . 0 0 "[ . 1 . 2]" 1
1625 1 75 ALA HA 1 78 ILE HG13 . . 5.060 3.765 3.292 4.156 . 0 0 "[ . 1 . 2]" 1
1626 1 78 ILE MG 1 82 ASN H . . 5.000 3.789 3.433 4.016 . 0 0 "[ . 1 . 2]" 1
1627 1 17 VAL H 1 79 VAL MG1 . . 4.740 3.814 3.544 4.060 . 0 0 "[ . 1 . 2]" 1
1628 1 13 ARG H 1 79 VAL MG1 . . 4.910 4.477 4.126 4.633 . 0 0 "[ . 1 . 2]" 1
1629 1 81 VAL HA 1 84 THR HG1 . . 5.010 2.477 2.047 3.392 . 0 0 "[ . 1 . 2]" 1
1630 1 49 PHE HZ 1 81 VAL HA . . 5.000 4.296 3.965 4.666 . 0 0 "[ . 1 . 2]" 1
1631 1 82 ASN HA 1 91 VAL MG2 . . 4.110 4.014 3.815 4.113 0.003 5 0 "[ . 1 . 2]" 1
1632 1 82 ASN HB3 1 93 CYS QB . . 4.270 3.919 3.423 4.126 . 0 0 "[ . 1 . 2]" 1
1633 1 84 THR HA 1 91 VAL MG2 . . 4.620 4.215 4.064 4.552 . 0 0 "[ . 1 . 2]" 1
1634 1 84 THR HB 1 91 VAL MG2 . . 4.760 3.548 3.288 3.842 . 0 0 "[ . 1 . 2]" 1
1635 1 83 GLY H 1 84 THR MG . . 4.890 3.839 3.662 4.111 . 0 0 "[ . 1 . 2]" 1
1636 1 85 THR HB 1 88 GLY H . . 4.860 4.329 3.804 4.750 . 0 0 "[ . 1 . 2]" 1
1637 1 85 THR HB 1 89 HIS H . . 5.500 4.967 4.377 5.205 . 0 0 "[ . 1 . 2]" 1
1638 1 85 THR MG 1 90 VAL H . . 3.660 3.309 2.890 3.664 0.004 4 0 "[ . 1 . 2]" 1
1639 1 85 THR HA 1 86 ILE HA . . 5.220 4.405 4.395 4.437 . 0 0 "[ . 1 . 2]" 1
1640 1 86 ILE HB 1 89 HIS H . . 5.500 4.277 4.151 4.479 . 0 0 "[ . 1 . 2]" 1
1641 1 45 THR MG 1 86 ILE MG . . 4.440 4.262 3.731 4.445 0.005 16 0 "[ . 1 . 2]" 1
1642 1 86 ILE MG 1 88 GLY H . . 5.410 4.525 4.345 4.809 . 0 0 "[ . 1 . 2]" 1
1643 1 86 ILE MG 1 89 HIS HD2 . . 5.500 4.603 4.200 5.017 . 0 0 "[ . 1 . 2]" 1
1644 1 85 THR MG 1 87 GLU HA . . 5.200 5.021 4.827 5.164 . 0 0 "[ . 1 . 2]" 1
1645 1 87 GLU HG2 1 89 HIS HD2 . . 5.260 4.970 4.678 5.229 . 0 0 "[ . 1 . 2]" 1
1646 1 87 GLU HG2 1 88 GLY H . . 4.970 4.726 4.563 4.853 . 0 0 "[ . 1 . 2]" 1
1647 1 86 ILE HA 1 87 GLU HG2 . . 5.170 3.884 3.668 4.174 . 0 0 "[ . 1 . 2]" 1
1648 1 85 THR MG 1 89 HIS HA . . 4.740 3.378 3.014 3.649 . 0 0 "[ . 1 . 2]" 1
1649 1 89 HIS HA 1 90 VAL MG1 . . 5.320 3.685 3.507 3.908 . 0 0 "[ . 1 . 2]" 1
1650 1 31 GLY H 1 91 VAL HB . . 4.600 3.974 3.623 4.228 . 0 0 "[ . 1 . 2]" 1
1651 1 86 ILE HA 1 91 VAL MG1 . . 5.010 4.310 4.135 4.524 . 0 0 "[ . 1 . 2]" 1
1652 1 33 ILE HA 1 91 VAL MG1 . . 5.500 4.325 3.975 4.693 . 0 0 "[ . 1 . 2]" 1
1653 1 92 LYS HA 1 92 LYS QD . . 4.780 4.049 3.907 4.356 . 0 0 "[ . 1 . 2]" 1
1654 1 29 TYR H 1 93 CYS HA . . 5.150 4.139 4.024 4.209 . 0 0 "[ . 1 . 2]" 1
1655 1 81 VAL HB 1 93 CYS QB . . 4.710 2.648 2.486 2.801 . 0 0 "[ . 1 . 2]" 1
1656 1 30 CYS HA 1 93 CYS QB . . 4.920 4.635 4.454 4.800 . 0 0 "[ . 1 . 2]" 1
1657 1 92 LYS HA 1 93 CYS QB . . 5.110 4.054 3.991 4.096 . 0 0 "[ . 1 . 2]" 1
1658 1 78 ILE MD 1 93 CYS QB . . 4.740 3.789 3.546 3.960 . 0 0 "[ . 1 . 2]" 1
1659 1 78 ILE MD 1 94 TYR QB . . 4.940 4.749 4.622 4.860 . 0 0 "[ . 1 . 2]" 1
1660 1 78 ILE MD 1 95 TRP HB3 . . 5.180 4.688 4.547 4.811 . 0 0 "[ . 1 . 2]" 1
1661 1 78 ILE MD 1 95 TRP HB2 . . 5.000 4.564 4.392 4.669 . 0 0 "[ . 1 . 2]" 1
1662 1 21 SER HB3 1 95 TRP HB2 . . 4.950 4.257 2.994 4.930 . 0 0 "[ . 1 . 2]" 1
1663 1 17 VAL HA 1 95 TRP HD1 . . 5.340 4.348 3.752 4.626 . 0 0 "[ . 1 . 2]" 1
1664 1 25 ASN HD22 1 95 TRP HE3 . . 4.650 3.986 3.439 4.226 . 0 0 "[ . 1 . 2]" 1
1665 1 84 THR HA 1 85 THR HB . . 5.080 4.797 4.614 4.912 . 0 0 "[ . 1 . 2]" 1
1666 1 52 ILE MG 1 55 ILE HG13 . . 3.400 2.111 1.935 2.443 . 0 0 "[ . 1 . 2]" 1
1667 1 91 VAL MG2 1 93 CYS QB . . 4.410 4.112 3.926 4.339 . 0 0 "[ . 1 . 2]" 1
1668 1 81 VAL HA 1 84 THR HA . . 5.000 4.964 4.758 4.999 . 0 0 "[ . 1 . 2]" 1
1669 1 27 THR MG 1 65 PHE QE . . 4.830 3.390 2.525 3.791 . 0 0 "[ . 1 . 2]" 1
1670 1 56 ARG QB 1 65 PHE QE . . 5.050 4.696 4.523 4.815 . 0 0 "[ . 1 . 2]" 1
1671 1 56 ARG QG 1 65 PHE QE . . 5.500 5.445 5.324 5.502 0.002 5 0 "[ . 1 . 2]" 1
1672 1 65 PHE HA 1 65 PHE QE . . 4.950 4.208 4.149 4.314 . 0 0 "[ . 1 . 2]" 1
1673 1 63 TYR QE 1 65 PHE QE . . 4.280 2.534 2.223 3.036 . 0 0 "[ . 1 . 2]" 1
1674 1 29 TYR QD 1 65 PHE HZ . . 4.590 3.154 2.781 3.781 . 0 0 "[ . 1 . 2]" 1
1675 1 29 TYR HA 1 65 PHE QE . . 5.410 3.813 3.364 4.039 . 0 0 "[ . 1 . 2]" 1
1676 1 29 TYR H 1 65 PHE QE . . 5.310 5.129 4.767 5.313 0.003 8 0 "[ . 1 . 2]" 1
1677 1 94 TYR QB 1 95 TRP HD1 . . 5.500 5.130 4.929 5.335 . 0 0 "[ . 1 . 2]" 1
1678 1 28 VAL HA 1 95 TRP HA . . 3.960 3.364 3.175 3.525 . 0 0 "[ . 1 . 2]" 1
1679 1 30 CYS HA 1 94 TYR H . . 4.350 4.069 4.002 4.136 . 0 0 "[ . 1 . 2]" 1
1680 1 92 LYS HA 1 93 CYS HA . . 5.500 4.396 4.385 4.401 . 0 0 "[ . 1 . 2]" 1
1681 1 73 SER HB3 1 74 ALA MB . . 5.500 4.684 3.911 5.371 . 0 0 "[ . 1 . 2]" 1
1682 1 90 VAL HA 1 91 VAL HA . . 4.900 4.405 4.391 4.420 . 0 0 "[ . 1 . 2]" 1
1683 1 89 HIS HA 1 90 VAL HA . . 5.130 4.377 4.352 4.390 . 0 0 "[ . 1 . 2]" 1
1684 1 89 HIS HA 1 90 VAL HB . . 5.030 4.657 4.491 4.856 . 0 0 "[ . 1 . 2]" 1
1685 1 93 CYS HA 1 94 TYR HA . . 5.460 4.393 4.389 4.396 . 0 0 "[ . 1 . 2]" 1
1686 1 93 CYS QB 1 94 TYR HA . . 5.500 4.110 4.072 4.164 . 0 0 "[ . 1 . 2]" 1
1687 1 83 GLY H 1 93 CYS QB . . 4.780 4.384 4.073 4.636 . 0 0 "[ . 1 . 2]" 1
1688 1 92 LYS HA 1 94 TYR QD . . 5.500 5.324 5.115 5.446 . 0 0 "[ . 1 . 2]" 1
1689 1 78 ILE MD 1 94 TYR QD . . 5.500 5.153 4.881 5.303 . 0 0 "[ . 1 . 2]" 1
1690 1 92 LYS HG2 1 94 TYR QE . . 5.030 3.276 2.507 3.983 . 0 0 "[ . 1 . 2]" 1
1691 1 29 TYR HB3 1 94 TYR QE . . 5.500 5.512 5.498 5.528 0.028 4 0 "[ . 1 . 2]" 1
1692 1 92 LYS QE 1 94 TYR QE . . 5.500 3.882 1.808 4.567 . 0 0 "[ . 1 . 2]" 1
1693 1 11 GLN HA 1 12 LEU QD . . 4.880 4.319 3.982 4.758 . 0 0 "[ . 1 . 2]" 1
1694 1 11 GLN QB 1 12 LEU H . . 3.500 2.530 1.923 3.474 . 0 0 "[ . 1 . 2]" 1
1695 1 12 LEU H 1 12 LEU QD . . 3.950 3.591 3.306 3.864 . 0 0 "[ . 1 . 2]" 1
1696 1 12 LEU HA 1 12 LEU QD . . 3.000 2.382 2.060 2.791 . 0 0 "[ . 1 . 2]" 1
1697 1 12 LEU HA 1 16 ASP QB . . 4.990 4.587 4.168 4.954 . 0 0 "[ . 1 . 2]" 1
1698 1 12 LEU HA 1 17 VAL QG . . 5.440 4.018 3.640 4.374 . 0 0 "[ . 1 . 2]" 1
1699 1 12 LEU HB2 1 12 LEU QD . . 3.090 2.098 1.932 2.242 . 0 0 "[ . 1 . 2]" 1
1700 1 12 LEU HB3 1 12 LEU QD . . 2.990 2.061 1.945 2.135 . 0 0 "[ . 1 . 2]" 1
1701 1 12 LEU HB3 1 17 VAL QG . . 3.360 2.045 1.920 2.258 . 0 0 "[ . 1 . 2]" 1
1702 1 12 LEU QD 1 13 ARG H . . 3.750 3.059 2.524 3.648 . 0 0 "[ . 1 . 2]" 1
1703 1 12 LEU QD 1 16 ASP QB . . 4.290 3.173 2.497 3.935 . 0 0 "[ . 1 . 2]" 1
1704 1 12 LEU QD 1 79 VAL HA . . 4.260 3.695 2.578 4.220 . 0 0 "[ . 1 . 2]" 1
1705 1 12 LEU QD 1 82 ASN HB2 . . 4.300 3.461 2.435 4.156 . 0 0 "[ . 1 . 2]" 1
1706 1 12 LEU QD 1 82 ASN HB3 . . 4.110 3.593 2.723 4.055 . 0 0 "[ . 1 . 2]" 1
1707 1 12 LEU QD 1 82 ASN QD . . 3.920 2.201 1.822 2.859 . 0 0 "[ . 1 . 2]" 1
1708 1 12 LEU QD 1 94 TYR QD . . 4.680 4.028 3.271 4.561 . 0 0 "[ . 1 . 2]" 1
1709 1 12 LEU QD 1 94 TYR QE . . 5.080 4.013 3.342 4.429 . 0 0 "[ . 1 . 2]" 1
1710 1 13 ARG H 1 13 ARG QB . . 3.180 2.143 2.083 2.344 . 0 0 "[ . 1 . 2]" 1
1711 1 13 ARG H 1 13 ARG QG . . 3.120 3.002 2.561 3.117 . 0 0 "[ . 1 . 2]" 1
1712 1 13 ARG H 1 16 ASP QB . . 3.720 3.170 2.604 3.562 . 0 0 "[ . 1 . 2]" 1
1713 1 13 ARG H 1 17 VAL QG . . 4.340 3.776 3.465 4.101 . 0 0 "[ . 1 . 2]" 1
1714 1 13 ARG QB 1 13 ARG QG . . 2.350 2.017 1.984 2.052 . 0 0 "[ . 1 . 2]" 1
1715 1 13 ARG QB 1 15 GLU H . . 4.290 2.827 2.459 3.143 . 0 0 "[ . 1 . 2]" 1
1716 1 13 ARG QB 1 16 ASP H . . 3.390 2.510 2.311 2.733 . 0 0 "[ . 1 . 2]" 1
1717 1 13 ARG QB 1 16 ASP QB . . 4.150 2.272 1.920 2.722 . 0 0 "[ . 1 . 2]" 1
1718 1 13 ARG QG 1 16 ASP H . . 5.240 4.607 4.433 4.897 . 0 0 "[ . 1 . 2]" 1
1719 1 13 ARG QD 1 15 GLU QG . . 4.880 4.031 3.389 4.558 . 0 0 "[ . 1 . 2]" 1
1720 1 14 PHE HA 1 17 VAL QG . . 3.170 2.917 2.444 3.169 . 0 0 "[ . 1 . 2]" 1
1721 1 14 PHE QB 1 15 GLU H . . 3.510 2.634 2.483 2.970 . 0 0 "[ . 1 . 2]" 1
1722 1 14 PHE QB 1 16 ASP H . . 5.340 4.637 4.437 4.885 . 0 0 "[ . 1 . 2]" 1
1723 1 14 PHE QB 1 76 HIS HE1 . . 5.340 4.526 3.833 5.263 . 0 0 "[ . 1 . 2]" 1
1724 1 14 PHE QB 1 79 VAL MG1 . . 3.620 2.615 2.080 3.010 . 0 0 "[ . 1 . 2]" 1
1725 1 14 PHE QB 1 79 VAL MG2 . . 3.880 3.122 2.602 3.544 . 0 0 "[ . 1 . 2]" 1
1726 1 14 PHE QD 1 15 GLU QB . . 4.520 4.194 3.781 4.492 . 0 0 "[ . 1 . 2]" 1
1727 1 14 PHE QD 1 15 GLU QG . . 4.090 2.705 2.404 3.029 . 0 0 "[ . 1 . 2]" 1
1728 1 14 PHE QD 1 17 VAL QG . . 5.430 4.260 3.959 4.497 . 0 0 "[ . 1 . 2]" 1
1729 1 14 PHE QD 1 18 VAL QG . . 4.090 2.925 2.631 3.337 . 0 0 "[ . 1 . 2]" 1
1730 1 14 PHE QE 1 18 VAL QG . . 3.420 2.602 2.312 2.936 . 0 0 "[ . 1 . 2]" 1
1731 1 14 PHE QE 1 72 GLU QG . . 5.340 3.436 3.114 3.819 . 0 0 "[ . 1 . 2]" 1
1732 1 14 PHE HZ 1 18 VAL QG . . 3.770 2.778 2.387 3.230 . 0 0 "[ . 1 . 2]" 1
1733 1 15 GLU H 1 15 GLU QB . . 3.010 2.345 2.226 2.571 . 0 0 "[ . 1 . 2]" 1
1734 1 15 GLU H 1 17 VAL QG . . 5.440 4.912 4.519 5.197 . 0 0 "[ . 1 . 2]" 1
1735 1 15 GLU H 1 18 VAL QG . . 5.440 3.898 3.762 4.109 . 0 0 "[ . 1 . 2]" 1
1736 1 15 GLU HA 1 18 VAL QG . . 3.070 2.108 1.954 2.845 . 0 0 "[ . 1 . 2]" 1
1737 1 15 GLU QB 1 16 ASP H . . 3.470 2.841 2.597 3.127 . 0 0 "[ . 1 . 2]" 1
1738 1 15 GLU QB 1 18 VAL QG . . 4.420 3.672 3.516 4.396 . 0 0 "[ . 1 . 2]" 1
1739 1 15 GLU QG 1 16 ASP H . . 4.370 4.280 4.070 4.371 0.001 11 0 "[ . 1 . 2]" 1
1740 1 15 GLU QG 1 18 VAL QG . . 4.990 3.545 3.391 4.253 . 0 0 "[ . 1 . 2]" 1
1741 1 16 ASP H 1 16 ASP QB . . 3.000 2.195 2.083 2.330 . 0 0 "[ . 1 . 2]" 1
1742 1 16 ASP H 1 17 VAL QG . . 4.070 3.931 3.691 4.072 0.002 11 0 "[ . 1 . 2]" 1
1743 1 16 ASP H 1 18 VAL QG . . 4.270 3.909 3.641 4.272 0.002 14 0 "[ . 1 . 2]" 1
1744 1 16 ASP QB 1 17 VAL H . . 2.990 2.691 2.291 2.947 . 0 0 "[ . 1 . 2]" 1
1745 1 16 ASP QB 1 17 VAL QG . . 3.900 3.189 2.977 3.444 . 0 0 "[ . 1 . 2]" 1
1746 1 17 VAL H 1 17 VAL QG . . 2.910 2.336 2.090 2.636 . 0 0 "[ . 1 . 2]" 1
1747 1 17 VAL HA 1 20 GLN QB . . 3.960 2.954 2.371 3.590 . 0 0 "[ . 1 . 2]" 1
1748 1 17 VAL HA 1 20 GLN QG . . 3.480 2.691 1.913 3.484 0.004 6 0 "[ . 1 . 2]" 1
1749 1 17 VAL QG 1 18 VAL HA . . 3.690 3.356 3.124 3.585 . 0 0 "[ . 1 . 2]" 1
1750 1 17 VAL QG 1 19 ASN H . . 5.120 4.011 3.787 4.650 . 0 0 "[ . 1 . 2]" 1
1751 1 17 VAL QG 1 20 GLN H . . 4.450 4.244 4.044 4.400 . 0 0 "[ . 1 . 2]" 1
1752 1 17 VAL QG 1 20 GLN QB . . 4.790 3.493 3.079 3.764 . 0 0 "[ . 1 . 2]" 1
1753 1 17 VAL QG 1 20 GLN QE . . 5.000 3.277 2.087 3.988 . 0 0 "[ . 1 . 2]" 1
1754 1 17 VAL QG 1 71 HIS HE1 . . 5.440 5.039 4.545 5.365 . 0 0 "[ . 1 . 2]" 1
1755 1 17 VAL QG 1 75 ALA H . . 5.000 4.185 3.909 4.445 . 0 0 "[ . 1 . 2]" 1
1756 1 17 VAL QG 1 75 ALA HA . . 3.250 2.116 1.925 2.391 . 0 0 "[ . 1 . 2]" 1
1757 1 17 VAL QG 1 75 ALA MB . . 3.270 2.202 1.931 2.563 . 0 0 "[ . 1 . 2]" 1
1758 1 17 VAL QG 1 76 HIS H . . 5.380 4.775 4.479 5.093 . 0 0 "[ . 1 . 2]" 1
1759 1 17 VAL QG 1 78 ILE H . . 4.320 4.120 3.965 4.319 . 0 0 "[ . 1 . 2]" 1
1760 1 17 VAL QG 1 78 ILE HB . . 3.200 2.372 2.162 2.536 . 0 0 "[ . 1 . 2]" 1
1761 1 17 VAL QG 1 78 ILE MG . . 2.690 2.105 1.844 2.411 . 0 0 "[ . 1 . 2]" 1
1762 1 17 VAL QG 1 78 ILE MD . . 3.200 2.445 2.196 2.647 . 0 0 "[ . 1 . 2]" 1
1763 1 17 VAL QG 1 79 VAL H . . 3.330 3.027 2.731 3.284 . 0 0 "[ . 1 . 2]" 1
1764 1 17 VAL QG 1 79 VAL HA . . 4.870 3.044 2.851 3.358 . 0 0 "[ . 1 . 2]" 1
1765 1 17 VAL QG 1 79 VAL HB . . 4.670 3.914 3.639 4.214 . 0 0 "[ . 1 . 2]" 1
1766 1 17 VAL QG 1 95 TRP HD1 . . 4.270 3.618 3.183 3.849 . 0 0 "[ . 1 . 2]" 1
1767 1 17 VAL QG 1 95 TRP HE1 . . 3.130 1.893 1.694 2.082 . 0 0 "[ . 1 . 2]" 1
1768 1 17 VAL QG 1 95 TRP HZ2 . . 3.600 2.049 1.959 2.272 . 0 0 "[ . 1 . 2]" 1
1769 1 17 VAL QG 1 95 TRP HH2 . . 5.130 3.971 3.799 4.119 . 0 0 "[ . 1 . 2]" 1
1770 1 18 VAL H 1 18 VAL QG . . 3.080 2.058 1.825 2.393 . 0 0 "[ . 1 . 2]" 1
1771 1 18 VAL HA 1 18 VAL QG . . 3.000 2.244 2.038 2.352 . 0 0 "[ . 1 . 2]" 1
1772 1 18 VAL QG 1 19 ASN H . . 3.790 3.190 2.181 3.607 . 0 0 "[ . 1 . 2]" 1
1773 1 18 VAL QG 1 19 ASN HA . . 4.470 3.873 3.359 4.390 . 0 0 "[ . 1 . 2]" 1
1774 1 18 VAL QG 1 19 ASN QB . . 4.180 3.156 2.511 4.145 . 0 0 "[ . 1 . 2]" 1
1775 1 18 VAL QG 1 19 ASN QD . . 4.040 3.296 2.041 4.036 . 0 0 "[ . 1 . 2]" 1
1776 1 18 VAL QG 1 20 GLN H . . 5.440 4.484 4.052 4.708 . 0 0 "[ . 1 . 2]" 1
1777 1 18 VAL QG 1 71 HIS HD2 . . 3.310 2.364 1.805 3.121 . 0 0 "[ . 1 . 2]" 1
1778 1 18 VAL QG 1 71 HIS HE1 . . 5.440 5.102 4.349 5.445 0.005 15 0 "[ . 1 . 2]" 1
1779 1 18 VAL QG 1 72 GLU H . . 5.280 4.481 3.881 4.951 . 0 0 "[ . 1 . 2]" 1
1780 1 18 VAL QG 1 72 GLU HA . . 3.820 2.904 2.570 3.277 . 0 0 "[ . 1 . 2]" 1
1781 1 18 VAL QG 1 72 GLU QG . . 3.790 3.150 2.584 3.788 . 0 0 "[ . 1 . 2]" 1
1782 1 18 VAL QG 1 75 ALA H . . 5.380 4.166 3.658 4.735 . 0 0 "[ . 1 . 2]" 1
1783 1 18 VAL QG 1 75 ALA MB . . 2.860 2.161 1.700 2.860 . 0 0 "[ . 1 . 2]" 1
1784 1 18 VAL QG 1 76 HIS H . . 5.440 4.943 4.392 5.439 . 0 0 "[ . 1 . 2]" 1
1785 1 18 VAL QG 1 95 TRP HH2 . . 5.440 4.434 3.814 4.854 . 0 0 "[ . 1 . 2]" 1
1786 1 19 ASN H 1 19 ASN QB . . 3.470 2.735 2.104 3.137 . 0 0 "[ . 1 . 2]" 1
1787 1 20 GLN H 1 20 GLN QB . . 3.190 2.328 2.106 2.636 . 0 0 "[ . 1 . 2]" 1
1788 1 20 GLN H 1 20 GLN QG . . 3.550 2.639 1.916 3.275 . 0 0 "[ . 1 . 2]" 1
1789 1 20 GLN HA 1 20 GLN QG . . 3.360 2.250 2.029 2.890 . 0 0 "[ . 1 . 2]" 1
1790 1 20 GLN QB 1 95 TRP HD1 . . 3.540 2.297 1.999 2.690 . 0 0 "[ . 1 . 2]" 1
1791 1 20 GLN QB 1 95 TRP HE1 . . 3.240 2.447 2.165 2.574 . 0 0 "[ . 1 . 2]" 1
1792 1 20 GLN QG 1 21 SER H . . 5.210 4.264 3.882 4.475 . 0 0 "[ . 1 . 2]" 1
1793 1 20 GLN QG 1 95 TRP HD1 . . 5.340 3.799 2.909 4.498 . 0 0 "[ . 1 . 2]" 1
1794 1 20 GLN QG 1 95 TRP HE1 . . 4.570 3.819 2.853 4.435 . 0 0 "[ . 1 . 2]" 1
1795 1 21 SER QB 1 25 ASN QB . . 4.460 4.275 3.824 4.457 . 0 0 "[ . 1 . 2]" 1
1796 1 21 SER QB 1 25 ASN HD21 . . 3.710 2.692 2.128 3.005 . 0 0 "[ . 1 . 2]" 1
1797 1 21 SER QB 1 25 ASN HD22 . . 4.100 3.343 2.696 3.645 . 0 0 "[ . 1 . 2]" 1
1798 1 21 SER QB 1 71 HIS HE1 . . 4.420 3.124 2.053 4.099 . 0 0 "[ . 1 . 2]" 1
1799 1 21 SER QB 1 95 TRP HB2 . . 4.290 3.422 2.947 3.949 . 0 0 "[ . 1 . 2]" 1
1800 1 21 SER QB 1 95 TRP HB3 . . 4.840 2.649 2.225 3.043 . 0 0 "[ . 1 . 2]" 1
1801 1 21 SER QB 1 95 TRP HD1 . . 3.970 3.684 3.181 3.938 . 0 0 "[ . 1 . 2]" 1
1802 1 21 SER QB 1 95 TRP HE1 . . 5.140 4.360 3.700 5.078 . 0 0 "[ . 1 . 2]" 1
1803 1 22 SER HA 1 23 PRO QD . . 2.610 2.052 1.998 2.131 . 0 0 "[ . 1 . 2]" 1
1804 1 22 SER QB 1 23 PRO QD . . 3.350 2.346 2.043 3.177 . 0 0 "[ . 1 . 2]" 1
1805 1 22 SER QB 1 24 LYS H . . 4.540 2.720 2.337 3.726 . 0 0 "[ . 1 . 2]" 1
1806 1 22 SER QB 1 25 ASN H . . 4.070 2.863 2.447 3.230 . 0 0 "[ . 1 . 2]" 1
1807 1 22 SER QB 1 25 ASN QB . . 4.100 2.999 2.012 3.926 . 0 0 "[ . 1 . 2]" 1
1808 1 23 PRO HA 1 71 HIS QB . . 4.750 2.850 2.191 3.359 . 0 0 "[ . 1 . 2]" 1
1809 1 23 PRO QB 1 24 LYS H . . 3.470 3.191 2.845 3.408 . 0 0 "[ . 1 . 2]" 1
1810 1 23 PRO QD 1 24 LYS H . . 3.710 2.621 2.601 2.689 . 0 0 "[ . 1 . 2]" 1
1811 1 24 LYS H 1 24 LYS QB . . 3.270 2.344 2.070 2.779 . 0 0 "[ . 1 . 2]" 1
1812 1 25 ASN H 1 25 ASN QB . . 2.920 2.233 2.143 2.434 . 0 0 "[ . 1 . 2]" 1
1813 1 26 CYS QB 1 27 THR H . . 4.180 3.582 3.579 3.586 . 0 0 "[ . 1 . 2]" 1
1814 1 26 CYS QB 1 68 PHE H . . 3.670 3.141 2.823 3.357 . 0 0 "[ . 1 . 2]" 1
1815 1 26 CYS QB 1 74 ALA MB . . 3.250 2.693 2.551 2.973 . 0 0 "[ . 1 . 2]" 1
1816 1 27 THR HA 1 67 ARG QG . . 4.260 2.405 2.071 2.627 . 0 0 "[ . 1 . 2]" 1
1817 1 27 THR HB 1 96 GLY QA . . 4.080 2.203 1.990 2.695 . 0 0 "[ . 1 . 2]" 1
1818 1 27 THR MG 1 67 ARG QB . . 4.370 3.852 3.583 4.097 . 0 0 "[ . 1 . 2]" 1
1819 1 27 THR MG 1 67 ARG QD . . 4.120 2.032 1.826 2.786 . 0 0 "[ . 1 . 2]" 1
1820 1 27 THR MG 1 96 GLY QA . . 3.650 1.926 1.821 2.118 . 0 0 "[ . 1 . 2]" 1
1821 1 29 TYR HB2 1 96 GLY QA . . 4.150 2.516 2.308 2.755 . 0 0 "[ . 1 . 2]" 1
1822 1 29 TYR HB3 1 96 GLY QA . . 3.990 3.630 3.495 3.895 . 0 0 "[ . 1 . 2]" 1
1823 1 29 TYR QD 1 92 LYS QB . . 5.340 3.827 3.389 4.375 . 0 0 "[ . 1 . 2]" 1
1824 1 29 TYR QD 1 96 GLY QA . . 5.340 3.703 3.391 4.156 . 0 0 "[ . 1 . 2]" 1
1825 1 29 TYR QE 1 63 TYR QB . . 3.810 2.763 2.446 3.052 . 0 0 "[ . 1 . 2]" 1
1826 1 31 GLY H 1 92 LYS QB . . 4.230 3.062 2.623 4.003 . 0 0 "[ . 1 . 2]" 1
1827 1 31 GLY H 1 92 LYS QG . . 4.620 3.844 1.886 4.639 0.019 11 0 "[ . 1 . 2]" 1
1828 1 31 GLY HA3 1 63 TYR QB . . 3.760 3.270 2.940 3.461 . 0 0 "[ . 1 . 2]" 1
1829 1 32 GLY H 1 63 TYR QB . . 4.370 4.130 3.861 4.368 . 0 0 "[ . 1 . 2]" 1
1830 1 32 GLY QA 1 33 ILE MD . . 5.040 4.395 4.186 4.553 . 0 0 "[ . 1 . 2]" 1
1831 1 32 GLY QA 1 91 VAL HA . . 3.970 2.182 1.973 2.382 . 0 0 "[ . 1 . 2]" 1
1832 1 32 GLY QA 1 92 LYS H . . 5.340 3.541 3.417 3.743 . 0 0 "[ . 1 . 2]" 1
1833 1 33 ILE MG 1 36 GLY QA . . 5.340 2.628 2.351 2.774 . 0 0 "[ . 1 . 2]" 1
1834 1 36 GLY QA 1 37 LEU H . . 3.100 2.724 2.671 2.782 . 0 0 "[ . 1 . 2]" 1
1835 1 36 GLY QA 1 38 THR MG . . 4.520 3.768 3.465 4.014 . 0 0 "[ . 1 . 2]" 1
1836 1 36 GLY QA 1 87 GLU HG3 . . 4.760 3.645 3.287 3.833 . 0 0 "[ . 1 . 2]" 1
1837 1 37 LEU H 1 41 LEU QD . . 5.440 4.513 4.349 4.680 . 0 0 "[ . 1 . 2]" 1
1838 1 37 LEU HA 1 41 LEU QB . . 3.920 3.761 3.516 3.900 . 0 0 "[ . 1 . 2]" 1
1839 1 37 LEU HA 1 41 LEU QD . . 3.000 2.732 2.527 2.895 . 0 0 "[ . 1 . 2]" 1
1840 1 38 THR H 1 41 LEU QD . . 3.250 2.694 2.477 3.009 . 0 0 "[ . 1 . 2]" 1
1841 1 38 THR HB 1 40 GLN QB . . 4.330 3.147 2.984 3.277 . 0 0 "[ . 1 . 2]" 1
1842 1 38 THR MG 1 40 GLN QB . . 5.030 4.200 4.082 4.335 . 0 0 "[ . 1 . 2]" 1
1843 1 38 THR MG 1 41 LEU QB . . 4.260 4.012 3.811 4.224 . 0 0 "[ . 1 . 2]" 1
1844 1 38 THR HG1 1 40 GLN QB . . 4.550 3.347 2.897 3.914 . 0 0 "[ . 1 . 2]" 1
1845 1 38 THR HG1 1 41 LEU QB . . 5.340 2.081 1.903 2.435 . 0 0 "[ . 1 . 2]" 1
1846 1 40 GLN HA 1 43 ARG QD . . 4.390 3.520 2.944 4.205 . 0 0 "[ . 1 . 2]" 1
1847 1 40 GLN QB 1 41 LEU H . . 3.620 2.646 2.470 2.991 . 0 0 "[ . 1 . 2]" 1
1848 1 41 LEU HA 1 41 LEU QD . . 2.960 2.103 1.966 2.735 . 0 0 "[ . 1 . 2]" 1
1849 1 41 LEU QB 1 41 LEU QD . . 2.610 1.920 1.874 1.963 . 0 0 "[ . 1 . 2]" 1
1850 1 41 LEU QB 1 42 MET H . . 3.100 2.157 2.027 2.309 . 0 0 "[ . 1 . 2]" 1
1851 1 41 LEU QD 1 42 MET H . . 4.210 3.545 2.755 3.752 . 0 0 "[ . 1 . 2]" 1
1852 1 41 LEU QD 1 42 MET ME . . 3.270 2.277 1.808 2.610 . 0 0 "[ . 1 . 2]" 1
1853 1 41 LEU QD 1 44 GLN H . . 5.350 4.697 4.316 4.932 . 0 0 "[ . 1 . 2]" 1
1854 1 41 LEU QD 1 44 GLN HB2 . . 4.870 4.657 4.411 4.857 . 0 0 "[ . 1 . 2]" 1
1855 1 41 LEU QD 1 44 GLN HB3 . . 4.180 3.841 3.584 4.186 0.006 4 0 "[ . 1 . 2]" 1
1856 1 41 LEU QD 1 45 THR H . . 5.010 4.097 3.205 4.451 . 0 0 "[ . 1 . 2]" 1
1857 1 41 LEU QD 1 45 THR HB . . 4.850 4.156 2.874 4.510 . 0 0 "[ . 1 . 2]" 1
1858 1 41 LEU QD 1 45 THR HG1 . . 4.120 2.635 1.982 3.021 . 0 0 "[ . 1 . 2]" 1
1859 1 41 LEU QD 1 87 GLU HB2 . . 4.300 3.960 3.531 4.301 0.001 7 0 "[ . 1 . 2]" 1
1860 1 41 LEU QD 1 87 GLU HB3 . . 5.090 4.635 4.154 4.892 . 0 0 "[ . 1 . 2]" 1
1861 1 41 LEU QD 1 87 GLU HG2 . . 3.340 3.133 2.875 3.343 0.003 16 0 "[ . 1 . 2]" 1
1862 1 43 ARG H 1 43 ARG QD . . 5.340 4.404 4.281 4.794 . 0 0 "[ . 1 . 2]" 1
1863 1 43 ARG HA 1 43 ARG QD . . 5.040 3.907 3.360 4.162 . 0 0 "[ . 1 . 2]" 1
1864 1 43 ARG QB 1 43 ARG QD . . 3.220 2.085 1.943 2.255 . 0 0 "[ . 1 . 2]" 1
1865 1 43 ARG QD 1 55 ILE MD . . 4.550 3.460 2.631 4.307 . 0 0 "[ . 1 . 2]" 1
1866 1 45 THR MG 1 81 VAL QG . . 3.320 2.581 2.330 2.798 . 0 0 "[ . 1 . 2]" 1
1867 1 45 THR MG 1 86 ILE QG . . 4.950 3.652 3.349 3.845 . 0 0 "[ . 1 . 2]" 1
1868 1 46 PHE HA 1 81 VAL QG . . 5.020 4.422 4.242 4.596 . 0 0 "[ . 1 . 2]" 1
1869 1 46 PHE QD 1 81 VAL QG . . 3.780 3.369 3.190 3.515 . 0 0 "[ . 1 . 2]" 1
1870 1 46 PHE QE 1 81 VAL QG . . 2.970 2.244 2.006 2.491 . 0 0 "[ . 1 . 2]" 1
1871 1 46 PHE HZ 1 81 VAL QG . . 3.420 3.012 2.493 3.239 . 0 0 "[ . 1 . 2]" 1
1872 1 48 PRO QB 1 49 PHE H . . 3.910 2.897 2.801 3.143 . 0 0 "[ . 1 . 2]" 1
1873 1 49 PHE QD 1 76 HIS QB . . 3.610 2.963 2.703 3.321 . 0 0 "[ . 1 . 2]" 1
1874 1 49 PHE QE 1 81 VAL QG . . 3.390 2.220 1.936 2.606 . 0 0 "[ . 1 . 2]" 1
1875 1 49 PHE HZ 1 81 VAL QG . . 3.100 2.771 2.443 3.089 . 0 0 "[ . 1 . 2]" 1
1876 1 50 GLY H 1 73 SER QB . . 5.290 4.877 4.375 5.278 . 0 0 "[ . 1 . 2]" 1
1877 1 50 GLY QA 1 51 GLN H . . 2.980 2.254 2.134 2.283 . 0 0 "[ . 1 . 2]" 1
1878 1 50 GLY QA 1 68 PHE QD . . 4.350 3.035 2.524 3.412 . 0 0 "[ . 1 . 2]" 1
1879 1 50 GLY QA 1 68 PHE QE . . 4.550 2.636 2.018 3.120 . 0 0 "[ . 1 . 2]" 1
1880 1 50 GLY QA 1 73 SER QB . . 3.690 2.369 2.028 2.820 . 0 0 "[ . 1 . 2]" 1
1881 1 51 GLN H 1 51 GLN QB . . 3.090 2.239 2.121 2.384 . 0 0 "[ . 1 . 2]" 1
1882 1 51 GLN HA 1 51 GLN QG . . 3.300 2.177 1.999 2.416 . 0 0 "[ . 1 . 2]" 1
1883 1 51 GLN QB 1 52 ILE H . . 3.730 3.383 2.978 3.690 . 0 0 "[ . 1 . 2]" 1
1884 1 51 GLN QG 1 52 ILE H . . 3.570 2.683 2.070 3.348 . 0 0 "[ . 1 . 2]" 1
1885 1 52 ILE HA 1 53 MET QB . . 5.320 4.398 4.239 4.623 . 0 0 "[ . 1 . 2]" 1
1886 1 52 ILE HA 1 53 MET QG . . 4.550 3.803 3.454 4.097 . 0 0 "[ . 1 . 2]" 1
1887 1 52 ILE MG 1 53 MET QB . . 5.220 3.927 3.631 4.217 . 0 0 "[ . 1 . 2]" 1
1888 1 52 ILE MG 1 54 GLU QB . . 5.340 4.290 4.055 4.504 . 0 0 "[ . 1 . 2]" 1
1889 1 53 MET H 1 53 MET QB . . 3.530 2.464 2.260 2.726 . 0 0 "[ . 1 . 2]" 1
1890 1 53 MET H 1 53 MET QG . . 3.610 2.672 2.229 3.087 . 0 0 "[ . 1 . 2]" 1
1891 1 53 MET QB 1 53 MET ME . . 3.870 3.131 2.031 3.631 . 0 0 "[ . 1 . 2]" 1
1892 1 53 MET QB 1 54 GLU H . . 3.340 2.461 2.116 2.688 . 0 0 "[ . 1 . 2]" 1
1893 1 53 MET QG 1 54 GLU H . . 4.430 3.951 3.505 4.284 . 0 0 "[ . 1 . 2]" 1
1894 1 53 MET QG 1 68 PHE HA . . 4.210 3.362 2.408 3.801 . 0 0 "[ . 1 . 2]" 1
1895 1 53 MET QG 1 69 SER H . . 3.710 3.286 3.059 3.578 . 0 0 "[ . 1 . 2]" 1
1896 1 53 MET QG 1 69 SER QB . . 3.290 2.780 2.147 3.240 . 0 0 "[ . 1 . 2]" 1
1897 1 53 MET ME 1 69 SER QB . . 3.480 2.218 1.932 2.683 . 0 0 "[ . 1 . 2]" 1
1898 1 54 GLU H 1 54 GLU QB . . 3.400 2.710 2.586 2.811 . 0 0 "[ . 1 . 2]" 1
1899 1 54 GLU HA 1 54 GLU QG . . 3.070 2.233 2.071 2.476 . 0 0 "[ . 1 . 2]" 1
1900 1 54 GLU QB 1 55 ILE H . . 3.880 3.421 3.182 3.627 . 0 0 "[ . 1 . 2]" 1
1901 1 54 GLU QB 1 67 ARG H . . 5.340 3.780 3.508 3.993 . 0 0 "[ . 1 . 2]" 1
1902 1 54 GLU QG 1 55 ILE H . . 3.490 2.353 2.024 2.864 . 0 0 "[ . 1 . 2]" 1
1903 1 54 GLU QG 1 56 ARG QG . . 4.140 3.954 3.630 4.114 . 0 0 "[ . 1 . 2]" 1
1904 1 56 ARG QB 1 56 ARG QD . . 2.820 2.346 2.154 2.434 . 0 0 "[ . 1 . 2]" 1
1905 1 56 ARG QD 1 58 PHE QE . . 4.550 2.305 1.941 2.987 . 0 0 "[ . 1 . 2]" 1
1906 1 56 ARG QD 1 58 PHE HZ . . 4.010 2.758 2.236 3.472 . 0 0 "[ . 1 . 2]" 1
1907 1 58 PHE H 1 58 PHE QB . . 3.500 2.459 2.373 2.571 . 0 0 "[ . 1 . 2]" 1
1908 1 58 PHE QB 1 61 LYS H . . 4.150 2.541 2.402 2.741 . 0 0 "[ . 1 . 2]" 1
1909 1 58 PHE QB 1 61 LYS QB . . 3.250 2.353 1.967 2.718 . 0 0 "[ . 1 . 2]" 1
1910 1 58 PHE QB 1 61 LYS QG . . 4.100 3.167 2.357 4.062 . 0 0 "[ . 1 . 2]" 1
1911 1 58 PHE QB 1 63 TYR H . . 3.540 2.726 2.618 2.863 . 0 0 "[ . 1 . 2]" 1
1912 1 58 PHE QB 1 63 TYR QD . . 5.180 3.186 2.607 3.381 . 0 0 "[ . 1 . 2]" 1
1913 1 58 PHE QB 1 63 TYR QE . . 4.270 3.143 2.611 3.363 . 0 0 "[ . 1 . 2]" 1
1914 1 58 PHE QD 1 61 LYS QD . . 4.580 3.740 2.425 4.531 . 0 0 "[ . 1 . 2]" 1
1915 1 60 GLU QG 1 61 LYS H . . 3.860 3.052 2.117 3.807 . 0 0 "[ . 1 . 2]" 1
1916 1 60 GLU QG 1 61 LYS QG . . 3.750 3.113 1.897 3.771 0.021 11 0 "[ . 1 . 2]" 1
1917 1 61 LYS H 1 61 LYS QB . . 3.060 2.450 2.184 2.717 . 0 0 "[ . 1 . 2]" 1
1918 1 61 LYS H 1 61 LYS QG . . 4.020 2.970 2.162 3.973 . 0 0 "[ . 1 . 2]" 1
1919 1 61 LYS H 1 61 LYS QD . . 3.810 3.257 2.104 3.811 0.001 15 0 "[ . 1 . 2]" 1
1920 1 61 LYS HA 1 61 LYS QG . . 3.150 2.700 2.047 3.037 . 0 0 "[ . 1 . 2]" 1
1921 1 61 LYS QB 1 61 LYS QD . . 3.300 2.348 1.957 2.705 . 0 0 "[ . 1 . 2]" 1
1922 1 61 LYS QB 1 62 GLY H . . 3.870 2.803 2.727 2.859 . 0 0 "[ . 1 . 2]" 1
1923 1 61 LYS QB 1 63 TYR H . . 4.020 3.205 2.892 3.460 . 0 0 "[ . 1 . 2]" 1
1924 1 61 LYS QB 1 63 TYR QE . . 3.280 2.279 2.075 2.573 . 0 0 "[ . 1 . 2]" 1
1925 1 61 LYS QD 1 61 LYS QG . . 2.310 2.043 2.013 2.092 . 0 0 "[ . 1 . 2]" 1
1926 1 61 LYS QG 1 63 TYR QE . . 3.790 2.213 2.023 2.942 . 0 0 "[ . 1 . 2]" 1
1927 1 61 LYS QD 1 62 GLY H . . 5.340 4.555 3.752 5.034 . 0 0 "[ . 1 . 2]" 1
1928 1 61 LYS QD 1 63 TYR QE . . 4.200 3.640 2.746 4.193 . 0 0 "[ . 1 . 2]" 1
1929 1 63 TYR QB 1 64 SER H . . 3.250 2.409 2.280 2.598 . 0 0 "[ . 1 . 2]" 1
1930 1 65 PHE QD 1 67 ARG QD . . 5.340 3.956 3.611 4.912 . 0 0 "[ . 1 . 2]" 1
1931 1 65 PHE QD 1 96 GLY QA . . 4.610 3.372 2.888 3.593 . 0 0 "[ . 1 . 2]" 1
1932 1 65 PHE QE 1 67 ARG QD . . 5.340 5.275 5.083 5.342 0.002 12 0 "[ . 1 . 2]" 1
1933 1 67 ARG H 1 67 ARG QG . . 3.710 3.627 2.815 3.714 0.004 14 0 "[ . 1 . 2]" 1
1934 1 67 ARG HA 1 67 ARG QG . . 3.370 2.192 2.079 2.370 . 0 0 "[ . 1 . 2]" 1
1935 1 67 ARG QB 1 67 ARG QG . . 2.320 2.022 2.010 2.087 . 0 0 "[ . 1 . 2]" 1
1936 1 67 ARG QB 1 67 ARG QD . . 3.170 2.332 1.961 2.650 . 0 0 "[ . 1 . 2]" 1
1937 1 67 ARG QB 1 68 PHE H . . 4.080 3.251 3.048 3.426 . 0 0 "[ . 1 . 2]" 1
1938 1 67 ARG QG 1 68 PHE H . . 3.970 3.752 3.572 3.966 . 0 0 "[ . 1 . 2]" 1
1939 1 68 PHE H 1 68 PHE QB . . 3.380 2.343 2.228 2.407 . 0 0 "[ . 1 . 2]" 1
1940 1 68 PHE QB 1 69 SER H . . 3.100 2.569 2.219 2.782 . 0 0 "[ . 1 . 2]" 1
1941 1 68 PHE QB 1 70 THR H . . 2.910 2.269 2.124 2.372 . 0 0 "[ . 1 . 2]" 1
1942 1 68 PHE QB 1 74 ALA H . . 3.770 2.968 2.674 3.181 . 0 0 "[ . 1 . 2]" 1
1943 1 68 PHE QB 1 74 ALA HA . . 5.010 3.633 3.403 3.805 . 0 0 "[ . 1 . 2]" 1
1944 1 68 PHE QB 1 74 ALA MB . . 3.270 2.147 1.959 2.381 . 0 0 "[ . 1 . 2]" 1
1945 1 68 PHE QD 1 73 SER QB . . 3.650 2.331 1.980 3.019 . 0 0 "[ . 1 . 2]" 1
1946 1 69 SER H 1 69 SER QB . . 3.200 2.383 2.128 2.857 . 0 0 "[ . 1 . 2]" 1
1947 1 69 SER QB 1 70 THR H . . 4.210 3.446 2.999 3.858 . 0 0 "[ . 1 . 2]" 1
1948 1 70 THR H 1 73 SER QB . . 4.290 3.665 3.167 4.287 . 0 0 "[ . 1 . 2]" 1
1949 1 70 THR HA 1 71 HIS QB . . 4.440 4.105 4.064 4.137 . 0 0 "[ . 1 . 2]" 1
1950 1 70 THR MG 1 73 SER QB . . 5.220 4.264 3.878 4.752 . 0 0 "[ . 1 . 2]" 1
1951 1 71 HIS QB 1 72 GLU H . . 3.370 2.714 2.535 2.991 . 0 0 "[ . 1 . 2]" 1
1952 1 71 HIS HD2 1 72 GLU QG . . 5.000 4.592 4.072 4.895 . 0 0 "[ . 1 . 2]" 1
1953 1 72 GLU H 1 72 GLU QG . . 3.300 2.834 2.510 3.272 . 0 0 "[ . 1 . 2]" 1
1954 1 72 GLU HA 1 72 GLU QG . . 3.150 2.229 2.071 2.382 . 0 0 "[ . 1 . 2]" 1
1955 1 72 GLU QG 1 73 SER H . . 5.080 4.181 3.984 4.341 . 0 0 "[ . 1 . 2]" 1
1956 1 72 GLU QG 1 76 HIS HD2 . . 5.220 4.564 3.814 5.080 . 0 0 "[ . 1 . 2]" 1
1957 1 73 SER H 1 73 SER QB . . 3.110 2.407 2.108 2.799 . 0 0 "[ . 1 . 2]" 1
1958 1 73 SER HA 1 76 HIS QB . . 3.680 2.636 2.332 2.975 . 0 0 "[ . 1 . 2]" 1
1959 1 73 SER QB 1 74 ALA H . . 3.390 2.625 2.136 3.344 . 0 0 "[ . 1 . 2]" 1
1960 1 73 SER QB 1 74 ALA HA . . 5.340 3.915 3.677 4.395 . 0 0 "[ . 1 . 2]" 1
1961 1 76 HIS H 1 76 HIS QB . . 3.090 2.240 2.153 2.409 . 0 0 "[ . 1 . 2]" 1
1962 1 76 HIS QB 1 77 ALA H . . 3.180 2.599 2.256 2.805 . 0 0 "[ . 1 . 2]" 1
1963 1 77 ALA H 1 81 VAL QG . . 5.440 4.968 4.750 5.240 . 0 0 "[ . 1 . 2]" 1
1964 1 77 ALA HA 1 80 SER QB . . 3.670 3.034 2.857 3.336 . 0 0 "[ . 1 . 2]" 1
1965 1 77 ALA HA 1 81 VAL QG . . 3.870 3.022 2.811 3.311 . 0 0 "[ . 1 . 2]" 1
1966 1 77 ALA MB 1 81 VAL QG . . 3.680 2.549 2.151 2.936 . 0 0 "[ . 1 . 2]" 1
1967 1 78 ILE HA 1 81 VAL QG . . 5.120 3.592 3.474 3.715 . 0 0 "[ . 1 . 2]" 1
1968 1 79 VAL MG2 1 80 SER QB . . 4.890 2.973 2.604 3.260 . 0 0 "[ . 1 . 2]" 1
1969 1 80 SER H 1 80 SER QB . . 3.000 2.234 2.137 2.341 . 0 0 "[ . 1 . 2]" 1
1970 1 80 SER H 1 81 VAL QG . . 5.090 4.176 4.044 4.364 . 0 0 "[ . 1 . 2]" 1
1971 1 80 SER HA 1 81 VAL QG . . 4.990 4.800 4.715 4.911 . 0 0 "[ . 1 . 2]" 1
1972 1 80 SER QB 1 81 VAL H . . 3.490 2.062 1.886 2.231 . 0 0 "[ . 1 . 2]" 1
1973 1 80 SER QB 1 81 VAL QG . . 3.410 2.961 2.714 3.216 . 0 0 "[ . 1 . 2]" 1
1974 1 81 VAL H 1 81 VAL QG . . 3.210 2.064 1.872 2.312 . 0 0 "[ . 1 . 2]" 1
1975 1 81 VAL HA 1 81 VAL QG . . 2.820 2.116 2.037 2.179 . 0 0 "[ . 1 . 2]" 1
1976 1 81 VAL QG 1 82 ASN H . . 3.780 3.317 3.029 3.506 . 0 0 "[ . 1 . 2]" 1
1977 1 81 VAL QG 1 82 ASN HA . . 4.390 3.479 3.231 3.729 . 0 0 "[ . 1 . 2]" 1
1978 1 81 VAL QG 1 84 THR H . . 4.610 3.554 3.390 3.713 . 0 0 "[ . 1 . 2]" 1
1979 1 81 VAL QG 1 84 THR MG . . 3.570 3.033 2.940 3.255 . 0 0 "[ . 1 . 2]" 1
1980 1 81 VAL QG 1 93 CYS QB . . 3.630 2.511 2.041 2.925 . 0 0 "[ . 1 . 2]" 1
1981 1 82 ASN HB3 1 82 ASN QD . . 3.450 2.468 2.097 3.347 . 0 0 "[ . 1 . 2]" 1
1982 1 85 THR HA 1 86 ILE QG . . 4.870 3.985 3.762 4.296 . 0 0 "[ . 1 . 2]" 1
1983 1 85 THR HB 1 88 GLY QA . . 5.090 4.307 3.763 4.722 . 0 0 "[ . 1 . 2]" 1
1984 1 85 THR MG 1 88 GLY QA . . 3.340 2.208 2.039 2.392 . 0 0 "[ . 1 . 2]" 1
1985 1 86 ILE H 1 86 ILE QG . . 3.780 2.756 2.567 3.024 . 0 0 "[ . 1 . 2]" 1
1986 1 86 ILE HA 1 86 ILE QG . . 3.220 2.359 2.266 2.405 . 0 0 "[ . 1 . 2]" 1
1987 1 86 ILE QG 1 86 ILE MG . . 3.190 2.293 2.162 2.467 . 0 0 "[ . 1 . 2]" 1
1988 1 86 ILE QG 1 87 GLU H . . 4.880 4.084 3.916 4.180 . 0 0 "[ . 1 . 2]" 1
1989 1 86 ILE QG 1 91 VAL MG1 . . 3.140 2.504 1.962 2.804 . 0 0 "[ . 1 . 2]" 1
1990 1 86 ILE QG 1 91 VAL MG2 . . 3.460 2.826 2.403 3.076 . 0 0 "[ . 1 . 2]" 1
1991 1 92 LYS H 1 92 LYS QB . . 3.130 2.563 2.370 2.955 . 0 0 "[ . 1 . 2]" 1
1992 1 92 LYS H 1 92 LYS QG . . 3.970 3.222 2.040 3.869 . 0 0 "[ . 1 . 2]" 1
1993 1 92 LYS QB 1 93 CYS H . . 3.760 3.483 3.206 3.662 . 0 0 "[ . 1 . 2]" 1
1994 1 92 LYS QB 1 94 TYR QD . . 4.060 3.457 2.930 3.965 . 0 0 "[ . 1 . 2]" 1
1995 1 92 LYS QG 1 93 CYS H . . 4.140 3.852 3.536 4.151 0.011 5 0 "[ . 1 . 2]" 1
1996 1 92 LYS QG 1 94 TYR QD . . 4.550 4.028 2.748 4.559 0.009 14 0 "[ . 1 . 2]" 1
1997 1 92 LYS QG 1 94 TYR QE . . 4.430 2.763 1.995 3.137 . 0 0 "[ . 1 . 2]" 1
1998 1 95 TRP HA 1 96 GLY QA . . 4.390 3.973 3.914 4.024 . 0 0 "[ . 1 . 2]" 1
1999 1 96 GLY QA 1 97 LYS H . . 3.100 2.199 2.109 2.599 . 0 0 "[ . 1 . 2]" 1
2000 1 98 GLU H 1 98 GLU QB . . 3.450 2.625 2.127 3.192 . 0 0 "[ . 1 . 2]" 1
2001 1 98 GLU H 1 98 GLU QG . . 3.840 3.177 1.893 3.853 0.013 10 0 "[ . 1 . 2]" 1
2002 1 98 GLU HA 1 98 GLU QG . . 3.490 2.602 2.006 3.383 . 0 0 "[ . 1 . 2]" 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 10
_Distance_constraint_stats_list.Viol_count 188
_Distance_constraint_stats_list.Viol_total 547.430
_Distance_constraint_stats_list.Viol_max 0.263
_Distance_constraint_stats_list.Viol_rms 0.0707
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1369
_Distance_constraint_stats_list.Viol_average_violations_only 0.1456
_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 28 VAL 4.322 0.218 4 0 "[ . 1 . 2]"
1 29 TYR 10.977 0.235 9 0 "[ . 1 . 2]"
1 31 GLY 6.090 0.263 5 0 "[ . 1 . 2]"
1 66 VAL 4.322 0.218 4 0 "[ . 1 . 2]"
1 86 ILE 5.984 0.226 15 0 "[ . 1 . 2]"
1 89 HIS 5.984 0.226 15 0 "[ . 1 . 2]"
1 92 LYS 6.090 0.263 5 0 "[ . 1 . 2]"
1 94 TYR 10.977 0.235 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 28 VAL H 1 66 VAL O . . 1.800 1.997 1.947 2.018 0.218 4 0 "[ . 1 . 2]" 2
2 1 28 VAL N 1 66 VAL O . . 2.700 2.717 2.690 2.763 0.063 5 0 "[ . 1 . 2]" 2
3 1 29 TYR H 1 94 TYR O . . 1.800 1.850 1.794 1.937 0.137 11 0 "[ . 1 . 2]" 2
4 1 29 TYR N 1 94 TYR O . . 2.700 2.809 2.742 2.894 0.194 11 0 "[ . 1 . 2]" 2
5 1 29 TYR O 1 94 TYR H . . 1.800 2.015 2.001 2.035 0.235 9 0 "[ . 1 . 2]" 2
6 1 29 TYR O 1 94 TYR N . . 2.700 2.873 2.839 2.915 0.215 9 0 "[ . 1 . 2]" 2
7 1 31 GLY H 1 92 LYS O . . 1.800 1.949 1.884 2.041 0.241 5 0 "[ . 1 . 2]" 2
8 1 31 GLY N 1 92 LYS O . . 2.700 2.856 2.770 2.963 0.263 5 0 "[ . 1 . 2]" 2
9 1 86 ILE H 1 89 HIS O . . 1.800 1.960 1.846 2.010 0.210 4 0 "[ . 1 . 2]" 2
10 1 86 ILE N 1 89 HIS O . . 2.700 2.839 2.774 2.926 0.226 15 0 "[ . 1 . 2]" 2
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