NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402947 |
1wi4   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wi4
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 2162
_Distance_constraint_stats_list.Viol_count 1639
_Distance_constraint_stats_list.Viol_total 6276.318
_Distance_constraint_stats_list.Viol_max 2.304
_Distance_constraint_stats_list.Viol_rms 0.0751
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.1915
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LEU 0.347 0.097 17 0 "[ . 1 . 2]"
1 11 ASP 0.151 0.097 17 0 "[ . 1 . 2]"
1 12 ARG 2.031 0.463 13 0 "[ . 1 . 2]"
1 13 ASP 1.907 0.463 13 0 "[ . 1 . 2]"
1 14 PRO 0.647 0.068 19 0 "[ . 1 . 2]"
1 15 ALA 0.085 0.022 11 0 "[ . 1 . 2]"
1 16 PHE 2.655 0.471 13 0 "[ . 1 . 2]"
1 17 ARG 1.430 0.236 18 0 "[ . 1 . 2]"
1 18 VAL 1.686 0.236 18 0 "[ . 1 . 2]"
1 19 ILE 2.407 0.291 16 0 "[ . 1 . 2]"
1 20 THR 1.060 0.153 20 0 "[ . 1 . 2]"
1 21 VAL 0.521 0.174 4 0 "[ . 1 . 2]"
1 22 THR 0.031 0.010 19 0 "[ . 1 . 2]"
1 23 LYS 2.661 0.219 18 0 "[ . 1 . 2]"
1 24 GLU 54.212 1.781 1 20 [+******************-]
1 25 THR 13.076 0.764 19 14 "[****** **1* *** -+2]"
1 26 GLY 31.763 1.781 1 20 [+***************-***]
1 27 LEU 3.398 0.237 16 0 "[ . 1 . 2]"
1 28 GLY 5.877 0.566 3 2 "[ + . 1 .- 2]"
1 29 LEU 3.025 0.258 7 0 "[ . 1 . 2]"
1 30 LYS 2.954 0.267 9 0 "[ . 1 . 2]"
1 31 ILE 2.882 0.450 3 0 "[ . 1 . 2]"
1 32 LEU 9.380 0.644 11 7 "[ * . * 1+ **. * -]"
1 33 GLY 1.077 0.306 13 0 "[ . 1 . 2]"
1 34 GLY 7.682 0.563 11 3 "[ . 1+ . -*2]"
1 35 ILE 0.045 0.042 5 0 "[ . 1 . 2]"
1 36 ASN 3.221 0.459 13 0 "[ . 1 . 2]"
1 37 ARG 2.203 0.324 13 0 "[ . 1 . 2]"
1 38 ASN 0.054 0.035 13 0 "[ . 1 . 2]"
1 39 GLU 0.152 0.035 13 0 "[ . 1 . 2]"
1 40 GLY 0.105 0.041 12 0 "[ . 1 . 2]"
1 41 PRO 0.066 0.023 12 0 "[ . 1 . 2]"
1 42 LEU 3.531 0.237 6 0 "[ . 1 . 2]"
1 43 VAL 4.704 0.750 13 1 "[ . 1 + . 2]"
1 44 TYR 7.283 0.563 11 3 "[ . 1+ . -*2]"
1 45 ILE 3.435 0.290 14 0 "[ . 1 . 2]"
1 46 HIS 3.297 0.267 9 0 "[ . 1 . 2]"
1 47 GLU 2.435 0.290 14 0 "[ . 1 . 2]"
1 48 VAL 0.350 0.064 10 0 "[ . 1 . 2]"
1 49 ILE 10.869 0.566 3 3 "[ *+ . 1 .- 2]"
1 50 PRO 16.340 0.807 8 20 [*******+***-********]
1 51 GLY 16.055 0.807 8 20 [*******+***-********]
1 52 GLY 4.880 0.553 2 1 "[ + . 1 . 2]"
1 53 ASP 3.046 0.347 9 0 "[ . 1 . 2]"
1 54 CYS 3.898 0.377 16 0 "[ . 1 . 2]"
1 55 TYR 1.206 0.307 11 0 "[ . 1 . 2]"
1 56 LYS 7.322 0.572 11 1 "[ . 1+ . 2]"
1 57 ASP 4.663 0.572 11 1 "[ . 1+ . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ARG 0.341 0.154 19 0 "[ . 1 . 2]"
1 60 LEU 17.383 0.842 15 9 "[ - . * ** * *+* *]"
1 61 LYS 0.020 0.010 16 0 "[ . 1 . 2]"
1 62 PRO 0.797 0.243 14 0 "[ . 1 . 2]"
1 63 GLY 0.075 0.011 18 0 "[ . 1 . 2]"
1 64 ASP 0.035 0.018 2 0 "[ . 1 . 2]"
1 65 GLN 7.097 1.301 5 3 "[ - + 1 . *2]"
1 66 LEU 3.948 0.253 15 0 "[ . 1 . 2]"
1 67 VAL 5.815 0.590 14 1 "[ . 1 +. 2]"
1 68 SER 4.080 0.253 15 0 "[ . 1 . 2]"
1 69 ILE 9.380 0.500 3 0 "[ . 1 . 2]"
1 70 ASN 3.529 0.404 9 0 "[ . 1 . 2]"
1 71 LYS 0.014 0.010 20 0 "[ . 1 . 2]"
1 72 GLU 0.460 0.169 20 0 "[ . 1 . 2]"
1 73 SER 0.407 0.110 20 0 "[ . 1 . 2]"
1 74 MET 12.095 0.750 13 1 "[ . 1 + . 2]"
1 75 ILE 5.824 1.301 5 3 "[ - + 1 . *2]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 3.322 0.194 2 0 "[ . 1 . 2]"
1 78 SER 6.511 0.459 13 0 "[ . 1 . 2]"
1 79 PHE 19.887 0.644 11 8 "[ * . * 1+ **. *- *]"
1 80 GLU 0.045 0.030 19 0 "[ . 1 . 2]"
1 81 GLU 0.142 0.028 5 0 "[ . 1 . 2]"
1 82 ALA 2.451 0.194 2 0 "[ . 1 . 2]"
1 83 LYS 69.463 2.304 18 20 [**-**************+**]
1 84 SER 11.633 1.071 1 12 "[+ * * ** * *- .****2]"
1 85 ILE 10.421 0.694 5 2 "[ - + 1 . 2]"
1 86 ILE 46.862 2.304 18 20 [*****************+*-]
1 87 THR 1.626 0.192 9 0 "[ . 1 . 2]"
1 88 ARG 2.035 0.192 9 0 "[ . 1 . 2]"
1 89 ALA 4.268 0.500 3 0 "[ . 1 . 2]"
1 90 LYS 17.170 2.010 1 7 "[+ * . * 1 * * - *]"
1 91 LEU 21.567 2.010 1 7 "[+ * . * 1 * * - *]"
1 92 ARG 3.368 0.247 12 0 "[ . 1 . 2]"
1 93 SER 6.799 0.730 5 4 "[ *- + 1* . 2]"
1 94 GLU 5.900 0.730 5 4 "[ *- + 1* . 2]"
1 95 SER 2.225 0.395 19 0 "[ . 1 . 2]"
1 96 PRO 2.184 0.395 19 0 "[ . 1 . 2]"
1 97 TRP 1.745 0.237 16 0 "[ . 1 . 2]"
1 98 GLU 3.253 0.404 9 0 "[ . 1 . 2]"
1 99 ILE 1.276 0.153 20 0 "[ . 1 . 2]"
1 100 ALA 0.304 0.052 5 0 "[ . 1 . 2]"
1 101 PHE 18.014 0.842 15 9 "[ * . * ** * -+* *]"
1 102 ILE 2.394 0.299 18 0 "[ . 1 . 2]"
1 103 ARG 3.024 0.434 10 0 "[ . 1 . 2]"
1 104 SER 0.686 0.299 18 0 "[ . 1 . 2]"
1 105 GLY 0.001 0.001 3 0 "[ . 1 . 2]"
1 106 PRO 0.660 0.166 7 0 "[ . 1 . 2]"
1 107 SER 0.660 0.166 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 SER H 1 8 SER QB . . 3.330 2.637 2.063 3.250 . 0 0 "[ . 1 . 2]" 1
2 1 9 PRO HA 1 10 LEU QD . . 4.770 4.585 4.290 4.739 . 0 0 "[ . 1 . 2]" 1
3 1 9 PRO QB 1 10 LEU H . . 3.880 2.957 2.788 3.465 . 0 0 "[ . 1 . 2]" 1
4 1 9 PRO QB 1 10 LEU QD . . 4.640 3.269 2.187 4.161 . 0 0 "[ . 1 . 2]" 1
5 1 9 PRO HB2 1 10 LEU H . . 4.590 3.053 2.859 3.648 . 0 0 "[ . 1 . 2]" 1
6 1 9 PRO HB3 1 10 LEU H . . 4.590 3.979 3.867 4.323 . 0 0 "[ . 1 . 2]" 1
7 1 9 PRO HD2 1 10 LEU H . . 4.490 2.722 2.648 2.776 . 0 0 "[ . 1 . 2]" 1
8 1 9 PRO HD3 1 10 LEU H . . 4.490 3.864 3.838 3.889 . 0 0 "[ . 1 . 2]" 1
9 1 9 PRO QG 1 10 LEU H . . 4.660 2.068 1.881 2.765 . 0 0 "[ . 1 . 2]" 1
10 1 9 PRO QG 1 10 LEU QD . . 4.290 2.708 1.956 3.576 . 0 0 "[ . 1 . 2]" 1
11 1 10 LEU H 1 10 LEU HB2 . . 3.740 2.737 2.162 3.811 0.071 1 0 "[ . 1 . 2]" 1
12 1 10 LEU H 1 10 LEU QB . . 2.890 2.389 2.142 2.721 . 0 0 "[ . 1 . 2]" 1
13 1 10 LEU H 1 10 LEU HB3 . . 3.740 3.308 2.193 3.721 . 0 0 "[ . 1 . 2]" 1
14 1 10 LEU H 1 10 LEU QD . . 4.180 2.552 1.872 3.517 . 0 0 "[ . 1 . 2]" 1
15 1 10 LEU H 1 10 LEU HG . . 3.800 3.261 2.443 3.781 . 0 0 "[ . 1 . 2]" 1
16 1 10 LEU HA 1 10 LEU MD1 . . 4.170 3.681 2.900 4.014 . 0 0 "[ . 1 . 2]" 1
17 1 10 LEU HA 1 10 LEU QD . . 3.650 2.804 1.996 3.383 . 0 0 "[ . 1 . 2]" 1
18 1 10 LEU HA 1 10 LEU MD2 . . 4.170 3.084 2.002 3.678 . 0 0 "[ . 1 . 2]" 1
19 1 10 LEU HA 1 10 LEU HG . . 3.540 2.938 2.244 3.572 0.032 1 0 "[ . 1 . 2]" 1
20 1 10 LEU HA 1 11 ASP H . . 3.360 2.403 2.139 3.457 0.097 17 0 "[ . 1 . 2]" 1
21 1 10 LEU QB 1 11 ASP H . . 4.280 2.753 1.790 3.355 . 0 0 "[ . 1 . 2]" 1
22 1 10 LEU QD 1 11 ASP H . . 4.970 3.703 3.056 4.290 . 0 0 "[ . 1 . 2]" 1
23 1 11 ASP H 1 11 ASP QB . . 3.480 2.643 2.093 3.181 . 0 0 "[ . 1 . 2]" 1
24 1 11 ASP HA 1 12 ARG H . . 3.260 2.303 2.144 2.557 . 0 0 "[ . 1 . 2]" 1
25 1 11 ASP QB 1 12 ARG H . . 4.230 3.216 2.112 3.977 . 0 0 "[ . 1 . 2]" 1
26 1 11 ASP HB2 1 12 ARG H . . 4.900 3.950 2.209 4.674 . 0 0 "[ . 1 . 2]" 1
27 1 11 ASP HB3 1 12 ARG H . . 4.900 3.644 2.127 4.502 . 0 0 "[ . 1 . 2]" 1
28 1 12 ARG H 1 12 ARG HB2 . . 3.940 2.709 2.091 3.606 . 0 0 "[ . 1 . 2]" 1
29 1 12 ARG H 1 12 ARG QB . . 3.120 2.387 2.071 2.592 . 0 0 "[ . 1 . 2]" 1
30 1 12 ARG H 1 12 ARG HB3 . . 3.940 3.272 2.353 3.715 . 0 0 "[ . 1 . 2]" 1
31 1 12 ARG H 1 12 ARG QD . . 5.030 3.073 1.855 4.453 . 0 0 "[ . 1 . 2]" 1
32 1 12 ARG H 1 12 ARG HG2 . . 4.850 3.482 2.496 4.633 . 0 0 "[ . 1 . 2]" 1
33 1 12 ARG H 1 12 ARG QG . . 4.190 2.859 2.122 3.860 . 0 0 "[ . 1 . 2]" 1
34 1 12 ARG H 1 12 ARG HG3 . . 4.850 3.280 2.182 4.130 . 0 0 "[ . 1 . 2]" 1
35 1 12 ARG HA 1 12 ARG QD . . 4.110 3.485 2.286 3.936 . 0 0 "[ . 1 . 2]" 1
36 1 12 ARG HA 1 12 ARG HG2 . . 4.160 3.163 2.286 4.119 . 0 0 "[ . 1 . 2]" 1
37 1 12 ARG HA 1 12 ARG QG . . 3.610 2.609 2.162 3.432 . 0 0 "[ . 1 . 2]" 1
38 1 12 ARG HA 1 12 ARG HG3 . . 4.160 3.140 2.183 4.223 0.063 12 0 "[ . 1 . 2]" 1
39 1 12 ARG HA 1 13 ASP H . . 3.060 2.380 2.173 3.106 0.046 19 0 "[ . 1 . 2]" 1
40 1 12 ARG QB 1 12 ARG QD . . 3.290 2.091 1.943 2.609 . 0 0 "[ . 1 . 2]" 1
41 1 12 ARG QB 1 13 ASP H . . 3.580 2.652 1.880 3.603 0.023 19 0 "[ . 1 . 2]" 1
42 1 12 ARG HB2 1 13 ASP H . . 4.200 3.566 2.465 4.196 . 0 0 "[ . 1 . 2]" 1
43 1 12 ARG HB3 1 13 ASP H . . 4.200 3.005 1.897 4.093 . 0 0 "[ . 1 . 2]" 1
44 1 12 ARG QG 1 13 ASP H . . 4.250 3.853 2.732 4.621 0.371 19 0 "[ . 1 . 2]" 1
45 1 12 ARG HG2 1 13 ASP H . . 5.000 4.332 3.658 5.463 0.463 13 0 "[ . 1 . 2]" 1
46 1 12 ARG HG3 1 13 ASP H . . 5.000 4.447 2.790 5.285 0.285 11 0 "[ . 1 . 2]" 1
47 1 13 ASP H 1 13 ASP HB2 . . 3.610 2.294 2.117 3.476 . 0 0 "[ . 1 . 2]" 1
48 1 13 ASP H 1 13 ASP QB . . 3.000 2.240 2.097 2.855 . 0 0 "[ . 1 . 2]" 1
49 1 13 ASP H 1 13 ASP HB3 . . 3.610 3.485 3.034 3.596 . 0 0 "[ . 1 . 2]" 1
50 1 13 ASP H 1 14 PRO QD . . 4.720 4.339 4.230 4.379 . 0 0 "[ . 1 . 2]" 1
51 1 13 ASP H 1 102 ILE MD . . 4.500 4.195 3.877 4.512 0.012 5 0 "[ . 1 . 2]" 1
52 1 13 ASP HA 1 14 PRO HG2 . . 5.360 4.534 4.266 4.655 . 0 0 "[ . 1 . 2]" 1
53 1 13 ASP HA 1 14 PRO QG . . 4.600 4.019 3.828 4.115 . 0 0 "[ . 1 . 2]" 1
54 1 13 ASP HA 1 14 PRO HG3 . . 5.360 4.490 4.329 4.584 . 0 0 "[ . 1 . 2]" 1
55 1 13 ASP QB 1 14 PRO QD . . 3.450 2.172 1.984 2.747 . 0 0 "[ . 1 . 2]" 1
56 1 13 ASP QB 1 15 ALA H . . 4.700 2.477 2.264 2.873 . 0 0 "[ . 1 . 2]" 1
57 1 13 ASP QB 1 15 ALA HA . . 5.170 4.892 4.798 5.002 . 0 0 "[ . 1 . 2]" 1
58 1 13 ASP QB 1 15 ALA MB . . 4.790 3.436 3.081 3.669 . 0 0 "[ . 1 . 2]" 1
59 1 13 ASP QB 1 16 PHE H . . 4.040 3.430 3.061 3.745 . 0 0 "[ . 1 . 2]" 1
60 1 13 ASP QB 1 102 ILE MD . . 4.500 3.327 2.965 3.644 . 0 0 "[ . 1 . 2]" 1
61 1 13 ASP HB2 1 14 PRO HD2 . . 4.840 3.671 3.170 3.859 . 0 0 "[ . 1 . 2]" 1
62 1 13 ASP HB2 1 14 PRO HD3 . . 4.840 4.726 4.351 4.848 0.008 18 0 "[ . 1 . 2]" 1
63 1 13 ASP HB2 1 102 ILE MD . . 5.320 3.435 3.034 3.755 . 0 0 "[ . 1 . 2]" 1
64 1 13 ASP HB3 1 14 PRO HD2 . . 4.840 2.225 2.008 3.149 . 0 0 "[ . 1 . 2]" 1
65 1 13 ASP HB3 1 14 PRO HD3 . . 4.840 3.627 3.455 4.248 . 0 0 "[ . 1 . 2]" 1
66 1 13 ASP HB3 1 102 ILE MD . . 5.320 4.526 3.718 4.952 . 0 0 "[ . 1 . 2]" 1
67 1 14 PRO HA 1 15 ALA H . . 3.530 3.515 3.458 3.552 0.022 11 0 "[ . 1 . 2]" 1
68 1 14 PRO HA 1 15 ALA MB . . 5.190 4.965 4.942 5.011 . 0 0 "[ . 1 . 2]" 1
69 1 14 PRO HB2 1 15 ALA H . . 3.890 3.367 3.144 3.602 . 0 0 "[ . 1 . 2]" 1
70 1 14 PRO HB2 1 16 PHE H . . 4.890 4.896 4.737 4.958 0.068 19 0 "[ . 1 . 2]" 1
71 1 14 PRO HB3 1 15 ALA H . . 4.300 4.160 4.030 4.296 . 0 0 "[ . 1 . 2]" 1
72 1 14 PRO HB3 1 16 PHE H . . 5.500 5.458 5.321 5.502 0.002 15 0 "[ . 1 . 2]" 1
73 1 14 PRO QD 1 15 ALA H . . 3.950 2.614 2.602 2.661 . 0 0 "[ . 1 . 2]" 1
74 1 14 PRO HD2 1 15 ALA H . . 4.740 2.660 2.647 2.710 . 0 0 "[ . 1 . 2]" 1
75 1 14 PRO HD3 1 15 ALA H . . 4.740 3.845 3.835 3.876 . 0 0 "[ . 1 . 2]" 1
76 1 14 PRO QG 1 15 ALA H . . 4.100 2.395 2.137 2.699 . 0 0 "[ . 1 . 2]" 1
77 1 14 PRO QG 1 15 ALA MB . . 4.190 3.136 2.991 3.326 . 0 0 "[ . 1 . 2]" 1
78 1 15 ALA H 1 15 ALA MB . . 2.960 2.252 2.139 2.343 . 0 0 "[ . 1 . 2]" 1
79 1 15 ALA H 1 16 PHE H . . 3.240 2.751 2.626 2.835 . 0 0 "[ . 1 . 2]" 1
80 1 15 ALA H 1 16 PHE HB2 . . 5.130 4.827 4.652 5.044 . 0 0 "[ . 1 . 2]" 1
81 1 15 ALA H 1 16 PHE HB3 . . 4.850 4.787 4.658 4.851 0.001 5 0 "[ . 1 . 2]" 1
82 1 15 ALA H 1 102 ILE MG . . 4.350 3.159 2.901 3.408 . 0 0 "[ . 1 . 2]" 1
83 1 15 ALA HA 1 16 PHE H . . 3.260 3.017 2.955 3.102 . 0 0 "[ . 1 . 2]" 1
84 1 15 ALA HA 1 16 PHE HB3 . . 5.420 5.143 5.040 5.238 . 0 0 "[ . 1 . 2]" 1
85 1 15 ALA HA 1 102 ILE MG . . 4.840 3.915 3.750 4.082 . 0 0 "[ . 1 . 2]" 1
86 1 15 ALA HA 1 103 ARG H . . 4.790 4.612 4.394 4.791 0.001 9 0 "[ . 1 . 2]" 1
87 1 15 ALA MB 1 16 PHE H . . 3.610 3.567 3.502 3.614 0.004 14 0 "[ . 1 . 2]" 1
88 1 15 ALA MB 1 16 PHE HB3 . . 5.410 5.346 5.220 5.409 . 0 0 "[ . 1 . 2]" 1
89 1 15 ALA MB 1 17 ARG H . . 4.900 4.826 4.680 4.901 0.001 13 0 "[ . 1 . 2]" 1
90 1 15 ALA MB 1 102 ILE HA . . 4.440 3.876 3.615 3.981 . 0 0 "[ . 1 . 2]" 1
91 1 15 ALA MB 1 102 ILE MG . . 3.130 1.952 1.813 2.154 . 0 0 "[ . 1 . 2]" 1
92 1 15 ALA MB 1 103 ARG H . . 3.790 3.262 3.070 3.511 . 0 0 "[ . 1 . 2]" 1
93 1 15 ALA MB 1 104 SER HA . . 4.630 2.803 2.053 3.826 . 0 0 "[ . 1 . 2]" 1
94 1 15 ALA MB 1 104 SER QB . . 4.500 2.458 1.839 3.841 . 0 0 "[ . 1 . 2]" 1
95 1 16 PHE H 1 16 PHE HB2 . . 3.090 2.862 2.761 2.956 . 0 0 "[ . 1 . 2]" 1
96 1 16 PHE H 1 16 PHE HB3 . . 3.600 2.265 2.195 2.341 . 0 0 "[ . 1 . 2]" 1
97 1 16 PHE H 1 16 PHE QD . . 4.190 4.088 4.001 4.154 . 0 0 "[ . 1 . 2]" 1
98 1 16 PHE H 1 17 ARG H . . 4.600 4.414 4.347 4.470 . 0 0 "[ . 1 . 2]" 1
99 1 16 PHE H 1 102 ILE MG . . 4.140 3.508 3.278 3.733 . 0 0 "[ . 1 . 2]" 1
100 1 16 PHE HA 1 17 ARG H . . 3.080 2.145 2.139 2.161 . 0 0 "[ . 1 . 2]" 1
101 1 16 PHE HA 1 101 PHE H . . 5.370 5.209 5.034 5.352 . 0 0 "[ . 1 . 2]" 1
102 1 16 PHE HA 1 102 ILE MD . . 4.010 3.740 3.487 3.866 . 0 0 "[ . 1 . 2]" 1
103 1 16 PHE HA 1 102 ILE QG . . 4.130 2.098 1.988 2.185 . 0 0 "[ . 1 . 2]" 1
104 1 16 PHE HA 1 103 ARG H . . 4.530 3.472 3.343 3.634 . 0 0 "[ . 1 . 2]" 1
105 1 16 PHE HB2 1 17 ARG H . . 4.520 4.225 4.111 4.321 . 0 0 "[ . 1 . 2]" 1
106 1 16 PHE HB2 1 67 VAL MG2 . . 3.980 4.020 3.762 4.451 0.471 13 0 "[ . 1 . 2]" 1
107 1 16 PHE HB2 1 102 ILE QG . . 4.690 2.707 2.457 2.917 . 0 0 "[ . 1 . 2]" 1
108 1 16 PHE HB3 1 17 ARG H . . 4.540 4.480 4.429 4.557 0.017 8 0 "[ . 1 . 2]" 1
109 1 16 PHE HB3 1 102 ILE HG12 . . 5.240 5.107 4.757 5.246 0.006 19 0 "[ . 1 . 2]" 1
110 1 16 PHE HB3 1 102 ILE QG . . 4.470 4.086 3.854 4.270 . 0 0 "[ . 1 . 2]" 1
111 1 16 PHE HB3 1 102 ILE HG13 . . 5.240 4.305 4.026 4.522 . 0 0 "[ . 1 . 2]" 1
112 1 16 PHE QD 1 17 ARG H . . 4.140 3.130 2.595 3.725 . 0 0 "[ . 1 . 2]" 1
113 1 16 PHE QD 1 17 ARG HA . . 4.610 4.390 4.209 4.520 . 0 0 "[ . 1 . 2]" 1
114 1 16 PHE QD 1 18 VAL H . . 5.500 5.264 4.843 5.481 . 0 0 "[ . 1 . 2]" 1
115 1 16 PHE QD 1 67 VAL MG2 . . 3.320 2.520 2.073 2.752 . 0 0 "[ . 1 . 2]" 1
116 1 16 PHE QD 1 100 ALA MB . . 4.320 3.953 3.622 4.236 . 0 0 "[ . 1 . 2]" 1
117 1 16 PHE QD 1 101 PHE H . . 4.790 3.966 3.458 4.489 . 0 0 "[ . 1 . 2]" 1
118 1 16 PHE QD 1 102 ILE HA . . 5.110 3.601 3.261 3.867 . 0 0 "[ . 1 . 2]" 1
119 1 16 PHE QD 1 102 ILE MD . . 3.750 3.234 2.957 3.480 . 0 0 "[ . 1 . 2]" 1
120 1 16 PHE QD 1 102 ILE HG12 . . 4.530 4.298 3.776 4.534 0.004 3 0 "[ . 1 . 2]" 1
121 1 16 PHE QD 1 102 ILE QG . . 3.740 2.717 2.348 2.950 . 0 0 "[ . 1 . 2]" 1
122 1 16 PHE QD 1 102 ILE HG13 . . 4.530 2.747 2.371 2.989 . 0 0 "[ . 1 . 2]" 1
123 1 16 PHE QE 1 18 VAL HB . . 5.500 4.273 2.600 5.213 . 0 0 "[ . 1 . 2]" 1
124 1 16 PHE QE 1 18 VAL MG1 . . 4.970 3.691 2.709 4.225 . 0 0 "[ . 1 . 2]" 1
125 1 16 PHE QE 1 18 VAL QG . . 3.590 2.443 2.061 2.820 . 0 0 "[ . 1 . 2]" 1
126 1 16 PHE QE 1 18 VAL MG2 . . 4.970 2.900 2.068 4.531 . 0 0 "[ . 1 . 2]" 1
127 1 16 PHE QE 1 67 VAL HB . . 4.560 2.954 2.152 3.615 . 0 0 "[ . 1 . 2]" 1
128 1 16 PHE QE 1 67 VAL MG1 . . 3.510 2.796 1.970 3.242 . 0 0 "[ . 1 . 2]" 1
129 1 16 PHE QE 1 100 ALA MB . . 3.390 2.044 1.834 2.310 . 0 0 "[ . 1 . 2]" 1
130 1 16 PHE QE 1 102 ILE MD . . 5.100 4.557 4.102 4.814 . 0 0 "[ . 1 . 2]" 1
131 1 16 PHE HZ 1 18 VAL HB . . 5.500 4.275 2.952 5.303 . 0 0 "[ . 1 . 2]" 1
132 1 16 PHE HZ 1 18 VAL MG1 . . 5.180 3.325 2.115 4.284 . 0 0 "[ . 1 . 2]" 1
133 1 16 PHE HZ 1 18 VAL QG . . 3.720 2.136 1.914 2.560 . 0 0 "[ . 1 . 2]" 1
134 1 16 PHE HZ 1 18 VAL MG2 . . 5.180 2.634 1.921 4.096 . 0 0 "[ . 1 . 2]" 1
135 1 16 PHE HZ 1 100 ALA MB . . 4.100 2.757 2.071 3.455 . 0 0 "[ . 1 . 2]" 1
136 1 17 ARG H 1 17 ARG HB2 . . 3.650 2.437 2.312 2.616 . 0 0 "[ . 1 . 2]" 1
137 1 17 ARG H 1 17 ARG HB3 . . 3.940 3.499 2.857 3.736 . 0 0 "[ . 1 . 2]" 1
138 1 17 ARG H 1 17 ARG QD . . 5.340 4.778 4.301 4.879 . 0 0 "[ . 1 . 2]" 1
139 1 17 ARG H 1 17 ARG HG2 . . 4.980 3.965 3.692 4.734 . 0 0 "[ . 1 . 2]" 1
140 1 17 ARG H 1 17 ARG QG . . 4.270 3.561 3.389 4.060 . 0 0 "[ . 1 . 2]" 1
141 1 17 ARG H 1 17 ARG HG3 . . 4.980 4.054 3.698 4.417 . 0 0 "[ . 1 . 2]" 1
142 1 17 ARG H 1 18 VAL H . . 4.570 4.428 4.241 4.551 . 0 0 "[ . 1 . 2]" 1
143 1 17 ARG H 1 100 ALA HA . . 5.500 5.478 5.345 5.552 0.052 5 0 "[ . 1 . 2]" 1
144 1 17 ARG H 1 101 PHE H . . 3.960 3.837 3.727 3.962 0.002 11 0 "[ . 1 . 2]" 1
145 1 17 ARG H 1 102 ILE HA . . 4.110 2.186 2.037 2.317 . 0 0 "[ . 1 . 2]" 1
146 1 17 ARG H 1 102 ILE MD . . 5.020 4.557 4.261 4.717 . 0 0 "[ . 1 . 2]" 1
147 1 17 ARG H 1 102 ILE QG . . 4.770 3.542 3.264 3.700 . 0 0 "[ . 1 . 2]" 1
148 1 17 ARG H 1 102 ILE MG . . 4.080 4.003 3.911 4.086 0.006 12 0 "[ . 1 . 2]" 1
149 1 17 ARG HA 1 17 ARG HD2 . . 4.550 4.115 3.496 4.372 . 0 0 "[ . 1 . 2]" 1
150 1 17 ARG HA 1 17 ARG QD . . 3.830 3.156 2.622 3.522 . 0 0 "[ . 1 . 2]" 1
151 1 17 ARG HA 1 17 ARG HD3 . . 4.550 3.293 2.709 3.992 . 0 0 "[ . 1 . 2]" 1
152 1 17 ARG HA 1 17 ARG QG . . 3.420 2.116 2.037 2.267 . 0 0 "[ . 1 . 2]" 1
153 1 17 ARG HA 1 18 VAL H . . 2.780 2.239 2.144 2.360 . 0 0 "[ . 1 . 2]" 1
154 1 17 ARG HA 1 18 VAL HB . . 4.770 4.708 4.551 5.006 0.236 18 0 "[ . 1 . 2]" 1
155 1 17 ARG HA 1 18 VAL QG . . 4.180 3.340 3.088 3.596 . 0 0 "[ . 1 . 2]" 1
156 1 17 ARG HB2 1 17 ARG HD2 . . 4.000 3.174 2.886 3.430 . 0 0 "[ . 1 . 2]" 1
157 1 17 ARG HB2 1 17 ARG HD3 . . 4.000 3.616 1.998 3.917 . 0 0 "[ . 1 . 2]" 1
158 1 17 ARG HB2 1 18 VAL H . . 4.590 4.231 4.000 4.467 . 0 0 "[ . 1 . 2]" 1
159 1 17 ARG HB2 1 101 PHE H . . 5.030 4.856 4.688 5.036 0.006 12 0 "[ . 1 . 2]" 1
160 1 17 ARG HB2 1 101 PHE QD . . 4.870 4.680 4.339 4.882 0.012 15 0 "[ . 1 . 2]" 1
161 1 17 ARG HB2 1 101 PHE QE . . 4.830 4.268 3.738 4.596 . 0 0 "[ . 1 . 2]" 1
162 1 17 ARG HB2 1 101 PHE HZ . . 5.380 4.696 4.139 5.104 . 0 0 "[ . 1 . 2]" 1
163 1 17 ARG HB3 1 18 VAL H . . 3.510 3.106 2.666 3.514 0.004 13 0 "[ . 1 . 2]" 1
164 1 17 ARG HB3 1 19 ILE H . . 5.500 5.174 4.905 5.519 0.019 15 0 "[ . 1 . 2]" 1
165 1 17 ARG HB3 1 101 PHE QE . . 4.340 3.838 3.220 4.272 . 0 0 "[ . 1 . 2]" 1
166 1 17 ARG HB3 1 101 PHE HZ . . 4.810 4.294 3.242 4.798 . 0 0 "[ . 1 . 2]" 1
167 1 17 ARG QD 1 18 VAL H . . 4.570 3.395 2.627 4.324 . 0 0 "[ . 1 . 2]" 1
168 1 17 ARG QD 1 101 PHE QE . . 5.040 4.686 4.166 5.151 0.111 15 0 "[ . 1 . 2]" 1
169 1 17 ARG QD 1 101 PHE HZ . . 5.330 4.794 3.756 5.146 . 0 0 "[ . 1 . 2]" 1
170 1 17 ARG QG 1 18 VAL H . . 4.180 3.623 2.353 4.052 . 0 0 "[ . 1 . 2]" 1
171 1 18 VAL H 1 18 VAL HB . . 3.300 2.939 2.630 3.423 0.123 19 0 "[ . 1 . 2]" 1
172 1 18 VAL H 1 18 VAL MG1 . . 4.040 3.311 1.842 3.926 . 0 0 "[ . 1 . 2]" 1
173 1 18 VAL H 1 18 VAL QG . . 3.200 2.502 1.836 2.854 . 0 0 "[ . 1 . 2]" 1
174 1 18 VAL H 1 18 VAL MG2 . . 4.040 3.060 2.537 3.812 . 0 0 "[ . 1 . 2]" 1
175 1 18 VAL H 1 19 ILE H . . 4.500 4.322 4.052 4.444 . 0 0 "[ . 1 . 2]" 1
176 1 18 VAL H 1 19 ILE MG . . 4.640 3.864 3.405 4.265 . 0 0 "[ . 1 . 2]" 1
177 1 18 VAL H 1 100 ALA HA . . 5.040 4.834 4.519 5.032 . 0 0 "[ . 1 . 2]" 1
178 1 18 VAL H 1 100 ALA MB . . 5.460 5.202 4.761 5.504 0.044 16 0 "[ . 1 . 2]" 1
179 1 18 VAL H 1 101 PHE QE . . 5.500 5.225 4.889 5.489 . 0 0 "[ . 1 . 2]" 1
180 1 18 VAL HA 1 18 VAL MG1 . . 3.360 2.554 2.177 3.191 . 0 0 "[ . 1 . 2]" 1
181 1 18 VAL HA 1 18 VAL MG2 . . 3.360 2.456 2.274 2.650 . 0 0 "[ . 1 . 2]" 1
182 1 18 VAL HA 1 19 ILE H . . 2.930 2.160 2.143 2.194 . 0 0 "[ . 1 . 2]" 1
183 1 18 VAL HA 1 99 ILE H . . 5.500 5.427 5.263 5.510 0.010 11 0 "[ . 1 . 2]" 1
184 1 18 VAL HA 1 100 ALA H . . 5.130 4.862 4.708 5.009 . 0 0 "[ . 1 . 2]" 1
185 1 18 VAL HA 1 100 ALA HA . . 3.340 2.174 1.987 2.354 . 0 0 "[ . 1 . 2]" 1
186 1 18 VAL HA 1 100 ALA MB . . 4.000 3.431 2.962 3.671 . 0 0 "[ . 1 . 2]" 1
187 1 18 VAL HA 1 101 PHE H . . 3.950 2.857 2.422 3.184 . 0 0 "[ . 1 . 2]" 1
188 1 18 VAL HB 1 19 ILE H . . 4.610 4.069 3.772 4.329 . 0 0 "[ . 1 . 2]" 1
189 1 18 VAL HB 1 100 ALA HA . . 4.870 3.859 1.967 4.809 . 0 0 "[ . 1 . 2]" 1
190 1 18 VAL HB 1 100 ALA MB . . 4.780 3.699 1.947 4.575 . 0 0 "[ . 1 . 2]" 1
191 1 18 VAL QG 1 19 ILE H . . 3.290 2.430 2.209 2.755 . 0 0 "[ . 1 . 2]" 1
192 1 18 VAL QG 1 98 GLU HA . . 4.450 4.070 3.810 4.252 . 0 0 "[ . 1 . 2]" 1
193 1 18 VAL QG 1 98 GLU QG . . 3.440 2.792 2.594 3.104 . 0 0 "[ . 1 . 2]" 1
194 1 18 VAL QG 1 99 ILE H . . 3.930 3.641 3.307 3.905 . 0 0 "[ . 1 . 2]" 1
195 1 18 VAL QG 1 100 ALA HA . . 3.340 2.454 1.949 2.654 . 0 0 "[ . 1 . 2]" 1
196 1 18 VAL QG 1 100 ALA MB . . 2.780 2.064 1.835 2.549 . 0 0 "[ . 1 . 2]" 1
197 1 18 VAL QG 1 101 PHE H . . 4.130 3.507 3.098 3.818 . 0 0 "[ . 1 . 2]" 1
198 1 18 VAL MG1 1 100 ALA HA . . 3.950 3.076 2.495 3.689 . 0 0 "[ . 1 . 2]" 1
199 1 18 VAL MG1 1 100 ALA MB . . 3.450 2.690 2.003 3.176 . 0 0 "[ . 1 . 2]" 1
200 1 18 VAL MG2 1 100 ALA HA . . 3.950 2.664 1.956 3.142 . 0 0 "[ . 1 . 2]" 1
201 1 18 VAL MG2 1 100 ALA MB . . 3.450 2.166 1.913 2.685 . 0 0 "[ . 1 . 2]" 1
202 1 19 ILE H 1 19 ILE MD . . 4.050 3.836 3.572 4.039 . 0 0 "[ . 1 . 2]" 1
203 1 19 ILE H 1 19 ILE QG . . 3.250 2.176 1.938 2.379 . 0 0 "[ . 1 . 2]" 1
204 1 19 ILE H 1 19 ILE MG . . 3.820 2.891 2.621 3.112 . 0 0 "[ . 1 . 2]" 1
205 1 19 ILE H 1 20 THR H . . 4.810 4.435 4.375 4.482 . 0 0 "[ . 1 . 2]" 1
206 1 19 ILE H 1 20 THR MG . . 5.500 5.450 5.276 5.510 0.010 11 0 "[ . 1 . 2]" 1
207 1 19 ILE H 1 98 GLU HA . . 5.500 5.457 5.262 5.517 0.017 13 0 "[ . 1 . 2]" 1
208 1 19 ILE H 1 99 ILE H . . 4.020 3.888 3.769 4.021 0.001 2 0 "[ . 1 . 2]" 1
209 1 19 ILE H 1 99 ILE HB . . 4.110 3.374 3.002 3.919 . 0 0 "[ . 1 . 2]" 1
210 1 19 ILE H 1 100 ALA HA . . 3.900 3.287 2.933 3.539 . 0 0 "[ . 1 . 2]" 1
211 1 19 ILE H 1 101 PHE H . . 4.400 4.213 4.012 4.406 0.006 4 0 "[ . 1 . 2]" 1
212 1 19 ILE H 1 101 PHE QD . . 4.780 3.664 3.194 3.960 . 0 0 "[ . 1 . 2]" 1
213 1 19 ILE H 1 101 PHE QE . . 4.390 3.306 2.465 3.920 . 0 0 "[ . 1 . 2]" 1
214 1 19 ILE HA 1 19 ILE MG . . 3.180 2.336 2.195 2.457 . 0 0 "[ . 1 . 2]" 1
215 1 19 ILE HA 1 20 THR H . . 3.070 2.515 2.344 2.662 . 0 0 "[ . 1 . 2]" 1
216 1 19 ILE HB 1 19 ILE MD . . 3.480 2.201 2.056 2.561 . 0 0 "[ . 1 . 2]" 1
217 1 19 ILE HB 1 20 THR H . . 3.240 2.175 1.900 2.518 . 0 0 "[ . 1 . 2]" 1
218 1 19 ILE HB 1 60 LEU QD . . 5.500 4.438 3.821 4.878 . 0 0 "[ . 1 . 2]" 1
219 1 19 ILE HB 1 101 PHE QE . . 4.860 4.460 4.107 4.784 . 0 0 "[ . 1 . 2]" 1
220 1 19 ILE MD 1 19 ILE MG . . 2.930 2.554 1.908 3.095 0.165 12 0 "[ . 1 . 2]" 1
221 1 19 ILE MD 1 20 THR H . . 4.420 3.282 2.381 4.103 . 0 0 "[ . 1 . 2]" 1
222 1 19 ILE MD 1 20 THR HA . . 5.500 4.076 2.940 5.024 . 0 0 "[ . 1 . 2]" 1
223 1 19 ILE MD 1 59 ARG H . . 4.830 4.585 4.248 4.864 0.034 16 0 "[ . 1 . 2]" 1
224 1 19 ILE MD 1 59 ARG HB2 . . 4.290 2.567 2.177 2.942 . 0 0 "[ . 1 . 2]" 1
225 1 19 ILE MD 1 59 ARG HB3 . . 3.620 2.440 1.797 3.548 . 0 0 "[ . 1 . 2]" 1
226 1 19 ILE MD 1 59 ARG HD2 . . 4.880 2.555 1.944 4.052 . 0 0 "[ . 1 . 2]" 1
227 1 19 ILE MD 1 59 ARG QD . . 4.190 2.386 1.935 3.460 . 0 0 "[ . 1 . 2]" 1
228 1 19 ILE MD 1 59 ARG HD3 . . 4.880 3.764 1.980 4.882 0.002 14 0 "[ . 1 . 2]" 1
229 1 19 ILE MD 1 59 ARG HE . . 4.050 3.476 2.530 4.000 . 0 0 "[ . 1 . 2]" 1
230 1 19 ILE MD 1 60 LEU H . . 4.230 3.776 2.914 4.252 0.022 16 0 "[ . 1 . 2]" 1
231 1 19 ILE MD 1 60 LEU QD . . 3.500 1.939 1.604 2.308 . 0 0 "[ . 1 . 2]" 1
232 1 19 ILE MD 1 60 LEU HG . . 3.280 2.561 1.789 3.571 0.291 16 0 "[ . 1 . 2]" 1
233 1 19 ILE MD 1 99 ILE HB . . 3.830 2.886 2.058 3.695 . 0 0 "[ . 1 . 2]" 1
234 1 19 ILE MD 1 101 PHE QD . . 4.650 4.407 3.629 4.673 0.023 9 0 "[ . 1 . 2]" 1
235 1 19 ILE MD 1 101 PHE QE . . 3.450 3.110 2.377 3.437 . 0 0 "[ . 1 . 2]" 1
236 1 19 ILE MD 1 101 PHE HZ . . 4.260 3.872 2.863 4.242 . 0 0 "[ . 1 . 2]" 1
237 1 19 ILE QG 1 19 ILE MG . . 3.160 2.149 1.919 2.328 . 0 0 "[ . 1 . 2]" 1
238 1 19 ILE QG 1 20 THR H . . 4.410 3.498 2.684 4.013 . 0 0 "[ . 1 . 2]" 1
239 1 19 ILE QG 1 21 VAL QG . . 4.400 3.515 2.745 3.955 . 0 0 "[ . 1 . 2]" 1
240 1 19 ILE QG 1 99 ILE H . . 4.970 3.686 3.449 3.956 . 0 0 "[ . 1 . 2]" 1
241 1 19 ILE QG 1 99 ILE MG . . 4.710 2.994 2.331 3.539 . 0 0 "[ . 1 . 2]" 1
242 1 19 ILE QG 1 101 PHE QD . . 4.800 3.366 2.835 3.702 . 0 0 "[ . 1 . 2]" 1
243 1 19 ILE QG 1 101 PHE QE . . 3.820 1.983 1.778 2.387 . 0 0 "[ . 1 . 2]" 1
244 1 19 ILE HG12 1 19 ILE MG . . 3.620 2.200 1.958 2.392 . 0 0 "[ . 1 . 2]" 1
245 1 19 ILE HG12 1 99 ILE HB . . 3.880 3.363 2.140 3.859 . 0 0 "[ . 1 . 2]" 1
246 1 19 ILE HG12 1 101 PHE QE . . 4.370 2.040 1.976 2.403 . 0 0 "[ . 1 . 2]" 1
247 1 19 ILE HG13 1 19 ILE MG . . 3.620 3.028 2.762 3.195 . 0 0 "[ . 1 . 2]" 1
248 1 19 ILE HG13 1 99 ILE HB . . 3.880 2.309 1.992 2.820 . 0 0 "[ . 1 . 2]" 1
249 1 19 ILE HG13 1 101 PHE QE . . 4.370 3.202 1.997 4.062 . 0 0 "[ . 1 . 2]" 1
250 1 19 ILE MG 1 20 THR H . . 3.760 3.607 3.434 3.757 . 0 0 "[ . 1 . 2]" 1
251 1 19 ILE MG 1 59 ARG HB3 . . 4.040 3.532 3.097 3.932 . 0 0 "[ . 1 . 2]" 1
252 1 19 ILE MG 1 59 ARG QD . . 3.810 2.731 2.061 3.592 . 0 0 "[ . 1 . 2]" 1
253 1 19 ILE MG 1 60 LEU QD . . 4.910 3.808 3.240 4.441 . 0 0 "[ . 1 . 2]" 1
254 1 19 ILE MG 1 101 PHE QD . . 4.520 4.233 3.593 4.545 0.025 9 0 "[ . 1 . 2]" 1
255 1 19 ILE MG 1 101 PHE QE . . 3.100 2.458 1.885 2.873 . 0 0 "[ . 1 . 2]" 1
256 1 19 ILE MG 1 101 PHE HZ . . 3.970 3.276 2.320 3.949 . 0 0 "[ . 1 . 2]" 1
257 1 20 THR H 1 20 THR HB . . 3.310 3.308 3.241 3.362 0.052 19 0 "[ . 1 . 2]" 1
258 1 20 THR H 1 20 THR MG . . 4.020 3.823 3.683 3.891 . 0 0 "[ . 1 . 2]" 1
259 1 20 THR H 1 21 VAL H . . 5.310 4.325 4.164 4.475 . 0 0 "[ . 1 . 2]" 1
260 1 20 THR H 1 21 VAL QG . . 4.370 4.243 4.126 4.325 . 0 0 "[ . 1 . 2]" 1
261 1 20 THR H 1 59 ARG HH11 . . 5.060 4.028 3.289 4.888 . 0 0 "[ . 1 . 2]" 1
262 1 20 THR H 1 59 ARG QH1 . . 4.290 3.159 2.405 3.930 . 0 0 "[ . 1 . 2]" 1
263 1 20 THR H 1 59 ARG HH12 . . 5.060 3.350 2.454 4.142 . 0 0 "[ . 1 . 2]" 1
264 1 20 THR H 1 59 ARG HH21 . . 5.500 4.449 3.156 5.514 0.014 19 0 "[ . 1 . 2]" 1
265 1 20 THR H 1 59 ARG HH22 . . 5.500 3.629 2.599 5.169 . 0 0 "[ . 1 . 2]" 1
266 1 20 THR H 1 99 ILE HB . . 5.500 5.152 4.940 5.357 . 0 0 "[ . 1 . 2]" 1
267 1 20 THR HA 1 20 THR MG . . 3.270 2.084 1.940 2.155 . 0 0 "[ . 1 . 2]" 1
268 1 20 THR HA 1 21 VAL H . . 2.920 2.173 2.142 2.278 . 0 0 "[ . 1 . 2]" 1
269 1 20 THR HA 1 21 VAL HA . . 4.810 4.392 4.384 4.427 . 0 0 "[ . 1 . 2]" 1
270 1 20 THR HA 1 21 VAL HB . . 4.740 4.489 4.384 4.586 . 0 0 "[ . 1 . 2]" 1
271 1 20 THR HA 1 21 VAL QG . . 4.310 3.742 3.590 3.843 . 0 0 "[ . 1 . 2]" 1
272 1 20 THR HA 1 96 PRO HB2 . . 4.640 4.223 4.020 4.356 . 0 0 "[ . 1 . 2]" 1
273 1 20 THR HA 1 97 TRP H . . 4.840 4.537 4.179 4.796 . 0 0 "[ . 1 . 2]" 1
274 1 20 THR HA 1 98 GLU HA . . 3.570 2.940 2.623 3.120 . 0 0 "[ . 1 . 2]" 1
275 1 20 THR HA 1 99 ILE H . . 4.080 2.671 2.540 2.723 . 0 0 "[ . 1 . 2]" 1
276 1 20 THR HA 1 99 ILE HA . . 5.500 5.501 5.351 5.574 0.074 13 0 "[ . 1 . 2]" 1
277 1 20 THR HA 1 99 ILE MD . . 5.500 3.892 3.326 4.363 . 0 0 "[ . 1 . 2]" 1
278 1 20 THR HB 1 21 VAL H . . 4.090 3.557 3.143 3.800 . 0 0 "[ . 1 . 2]" 1
279 1 20 THR HB 1 21 VAL HA . . 4.920 4.391 4.147 4.507 . 0 0 "[ . 1 . 2]" 1
280 1 20 THR HB 1 21 VAL QG . . 5.320 4.796 4.596 4.940 . 0 0 "[ . 1 . 2]" 1
281 1 20 THR HB 1 96 PRO HB2 . . 3.640 3.144 2.887 3.329 . 0 0 "[ . 1 . 2]" 1
282 1 20 THR HB 1 96 PRO HB3 . . 4.720 4.148 3.865 4.316 . 0 0 "[ . 1 . 2]" 1
283 1 20 THR HB 1 96 PRO QG . . 4.210 3.381 2.885 3.582 . 0 0 "[ . 1 . 2]" 1
284 1 20 THR HB 1 98 GLU HA . . 5.300 4.940 4.637 5.174 . 0 0 "[ . 1 . 2]" 1
285 1 20 THR MG 1 21 VAL H . . 3.630 2.914 2.592 3.116 . 0 0 "[ . 1 . 2]" 1
286 1 20 THR MG 1 21 VAL HA . . 5.130 4.822 4.659 4.943 . 0 0 "[ . 1 . 2]" 1
287 1 20 THR MG 1 96 PRO HA . . 4.700 4.372 4.191 4.579 . 0 0 "[ . 1 . 2]" 1
288 1 20 THR MG 1 96 PRO HB2 . . 3.210 2.176 1.960 2.447 . 0 0 "[ . 1 . 2]" 1
289 1 20 THR MG 1 96 PRO HB3 . . 3.830 3.578 3.409 3.687 . 0 0 "[ . 1 . 2]" 1
290 1 20 THR MG 1 96 PRO QD . . 4.050 3.782 3.434 3.882 . 0 0 "[ . 1 . 2]" 1
291 1 20 THR MG 1 96 PRO HG2 . . 3.400 2.117 1.852 2.262 . 0 0 "[ . 1 . 2]" 1
292 1 20 THR MG 1 96 PRO QG . . 2.980 2.072 1.835 2.215 . 0 0 "[ . 1 . 2]" 1
293 1 20 THR MG 1 96 PRO HG3 . . 3.400 2.972 2.744 3.201 . 0 0 "[ . 1 . 2]" 1
294 1 20 THR MG 1 97 TRP HB2 . . 4.700 4.331 4.082 4.499 . 0 0 "[ . 1 . 2]" 1
295 1 20 THR MG 1 97 TRP HB3 . . 5.280 4.837 4.612 4.949 . 0 0 "[ . 1 . 2]" 1
296 1 20 THR MG 1 98 GLU H . . 5.250 3.798 3.423 4.042 . 0 0 "[ . 1 . 2]" 1
297 1 20 THR MG 1 98 GLU HA . . 3.910 2.168 1.962 2.434 . 0 0 "[ . 1 . 2]" 1
298 1 20 THR MG 1 98 GLU HG2 . . 4.890 4.419 3.892 4.778 . 0 0 "[ . 1 . 2]" 1
299 1 20 THR MG 1 98 GLU QG . . 4.240 3.286 2.741 3.771 . 0 0 "[ . 1 . 2]" 1
300 1 20 THR MG 1 98 GLU HG3 . . 4.890 3.414 2.778 4.130 . 0 0 "[ . 1 . 2]" 1
301 1 20 THR MG 1 99 ILE H . . 4.660 3.357 3.186 3.501 . 0 0 "[ . 1 . 2]" 1
302 1 20 THR MG 1 99 ILE MD . . 4.550 4.439 4.149 4.703 0.153 20 0 "[ . 1 . 2]" 1
303 1 21 VAL H 1 21 VAL HB . . 3.400 2.488 2.434 2.616 . 0 0 "[ . 1 . 2]" 1
304 1 21 VAL H 1 21 VAL QG . . 3.490 2.748 2.582 3.011 . 0 0 "[ . 1 . 2]" 1
305 1 21 VAL H 1 22 THR H . . 4.640 4.434 4.301 4.529 . 0 0 "[ . 1 . 2]" 1
306 1 21 VAL H 1 96 PRO HB2 . . 4.140 3.570 3.005 3.882 . 0 0 "[ . 1 . 2]" 1
307 1 21 VAL H 1 97 TRP H . . 3.900 3.069 2.541 3.414 . 0 0 "[ . 1 . 2]" 1
308 1 21 VAL H 1 97 TRP HB2 . . 3.880 2.769 2.630 2.907 . 0 0 "[ . 1 . 2]" 1
309 1 21 VAL H 1 97 TRP HB3 . . 4.220 3.869 3.694 4.042 . 0 0 "[ . 1 . 2]" 1
310 1 21 VAL H 1 97 TRP HD1 . . 4.980 4.836 4.639 4.987 0.007 4 0 "[ . 1 . 2]" 1
311 1 21 VAL H 1 98 GLU HA . . 4.230 4.169 3.960 4.265 0.035 20 0 "[ . 1 . 2]" 1
312 1 21 VAL H 1 99 ILE H . . 4.670 3.827 3.507 4.129 . 0 0 "[ . 1 . 2]" 1
313 1 21 VAL H 1 99 ILE MD . . 4.460 3.173 2.385 3.805 . 0 0 "[ . 1 . 2]" 1
314 1 21 VAL HA 1 21 VAL QG . . 3.170 2.107 2.017 2.159 . 0 0 "[ . 1 . 2]" 1
315 1 21 VAL HA 1 22 THR H . . 2.720 2.163 2.143 2.203 . 0 0 "[ . 1 . 2]" 1
316 1 21 VAL HA 1 22 THR HB . . 4.880 4.780 4.714 4.885 0.005 16 0 "[ . 1 . 2]" 1
317 1 21 VAL HA 1 97 TRP HD1 . . 5.500 5.360 5.093 5.674 0.174 4 0 "[ . 1 . 2]" 1
318 1 21 VAL HB 1 22 THR H . . 4.720 4.215 4.042 4.304 . 0 0 "[ . 1 . 2]" 1
319 1 21 VAL HB 1 60 LEU QD . . 4.770 4.225 3.733 4.681 . 0 0 "[ . 1 . 2]" 1
320 1 21 VAL HB 1 97 TRP H . . 4.130 3.782 3.534 3.890 . 0 0 "[ . 1 . 2]" 1
321 1 21 VAL HB 1 97 TRP HA . . 5.460 5.121 5.002 5.246 . 0 0 "[ . 1 . 2]" 1
322 1 21 VAL HB 1 97 TRP HB2 . . 3.490 2.167 2.053 2.298 . 0 0 "[ . 1 . 2]" 1
323 1 21 VAL HB 1 97 TRP HB3 . . 3.830 3.432 3.209 3.628 . 0 0 "[ . 1 . 2]" 1
324 1 21 VAL HB 1 97 TRP HD1 . . 3.700 3.332 3.107 3.537 . 0 0 "[ . 1 . 2]" 1
325 1 21 VAL HB 1 99 ILE MD . . 3.780 2.704 2.301 3.182 . 0 0 "[ . 1 . 2]" 1
326 1 21 VAL QG 1 22 THR H . . 3.390 2.431 2.180 2.701 . 0 0 "[ . 1 . 2]" 1
327 1 21 VAL QG 1 27 LEU MD1 . . 4.820 4.101 3.840 4.327 . 0 0 "[ . 1 . 2]" 1
328 1 21 VAL QG 1 53 ASP H . . 5.000 4.411 4.185 4.716 . 0 0 "[ . 1 . 2]" 1
329 1 21 VAL QG 1 53 ASP HA . . 4.400 3.632 3.022 4.063 . 0 0 "[ . 1 . 2]" 1
330 1 21 VAL QG 1 53 ASP HB2 . . 3.330 2.917 1.947 3.316 . 0 0 "[ . 1 . 2]" 1
331 1 21 VAL QG 1 53 ASP HB3 . . 3.330 2.241 1.801 3.338 0.008 9 0 "[ . 1 . 2]" 1
332 1 21 VAL QG 1 54 CYS H . . 4.390 2.957 2.417 3.294 . 0 0 "[ . 1 . 2]" 1
333 1 21 VAL QG 1 54 CYS HA . . 3.530 1.992 1.800 2.246 . 0 0 "[ . 1 . 2]" 1
334 1 21 VAL QG 1 54 CYS HB3 . . 4.060 3.272 2.821 3.701 . 0 0 "[ . 1 . 2]" 1
335 1 21 VAL QG 1 57 ASP H . . 4.080 3.643 3.328 3.889 . 0 0 "[ . 1 . 2]" 1
336 1 21 VAL QG 1 57 ASP HA . . 5.140 4.183 3.752 4.435 . 0 0 "[ . 1 . 2]" 1
337 1 21 VAL QG 1 57 ASP HB2 . . 4.260 2.346 2.074 2.520 . 0 0 "[ . 1 . 2]" 1
338 1 21 VAL QG 1 57 ASP QB . . 3.150 2.246 2.023 2.410 . 0 0 "[ . 1 . 2]" 1
339 1 21 VAL QG 1 57 ASP HB3 . . 4.260 2.883 2.761 3.069 . 0 0 "[ . 1 . 2]" 1
340 1 21 VAL QG 1 58 GLY H . . 5.060 4.306 4.126 4.477 . 0 0 "[ . 1 . 2]" 1
341 1 21 VAL QG 1 60 LEU QD . . 3.040 2.244 1.883 2.577 . 0 0 "[ . 1 . 2]" 1
342 1 21 VAL QG 1 97 TRP H . . 4.200 3.942 3.761 4.008 . 0 0 "[ . 1 . 2]" 1
343 1 21 VAL QG 1 97 TRP HB2 . . 3.870 3.085 2.956 3.187 . 0 0 "[ . 1 . 2]" 1
344 1 21 VAL QG 1 97 TRP HB3 . . 5.500 3.976 3.807 4.113 . 0 0 "[ . 1 . 2]" 1
345 1 21 VAL QG 1 97 TRP HD1 . . 3.250 2.684 2.308 2.944 . 0 0 "[ . 1 . 2]" 1
346 1 21 VAL QG 1 97 TRP HE1 . . 4.840 4.574 4.269 4.748 . 0 0 "[ . 1 . 2]" 1
347 1 21 VAL QG 1 99 ILE MD . . 4.190 2.491 1.851 3.110 . 0 0 "[ . 1 . 2]" 1
348 1 22 THR H 1 22 THR HB . . 3.000 2.682 2.547 2.754 . 0 0 "[ . 1 . 2]" 1
349 1 22 THR H 1 22 THR MG . . 3.960 3.757 3.745 3.766 . 0 0 "[ . 1 . 2]" 1
350 1 22 THR H 1 23 LYS H . . 4.600 4.436 4.331 4.509 . 0 0 "[ . 1 . 2]" 1
351 1 22 THR H 1 57 ASP QB . . 5.280 4.611 3.771 4.849 . 0 0 "[ . 1 . 2]" 1
352 1 22 THR H 1 96 PRO HB3 . . 5.020 4.799 4.206 5.030 0.010 19 0 "[ . 1 . 2]" 1
353 1 22 THR H 1 97 TRP H . . 5.180 4.826 4.620 5.094 . 0 0 "[ . 1 . 2]" 1
354 1 22 THR HA 1 22 THR MG . . 3.170 2.306 2.212 2.449 . 0 0 "[ . 1 . 2]" 1
355 1 22 THR HA 1 23 LYS H . . 2.820 2.147 2.140 2.174 . 0 0 "[ . 1 . 2]" 1
356 1 22 THR HA 1 23 LYS HB2 . . 5.070 4.774 4.710 4.859 . 0 0 "[ . 1 . 2]" 1
357 1 22 THR HA 1 23 LYS QB . . 4.350 4.090 4.064 4.120 . 0 0 "[ . 1 . 2]" 1
358 1 22 THR HA 1 23 LYS HB3 . . 5.070 4.448 4.364 4.480 . 0 0 "[ . 1 . 2]" 1
359 1 22 THR HA 1 96 PRO HA . . 3.850 3.488 3.110 3.792 . 0 0 "[ . 1 . 2]" 1
360 1 22 THR HA 1 96 PRO HB2 . . 4.120 3.643 3.272 3.946 . 0 0 "[ . 1 . 2]" 1
361 1 22 THR HA 1 96 PRO HB3 . . 3.650 2.719 2.346 2.896 . 0 0 "[ . 1 . 2]" 1
362 1 22 THR HA 1 96 PRO QG . . 4.950 4.589 4.109 4.785 . 0 0 "[ . 1 . 2]" 1
363 1 22 THR HA 1 97 TRP H . . 4.480 3.915 3.676 4.122 . 0 0 "[ . 1 . 2]" 1
364 1 22 THR HB 1 23 LYS H . . 4.370 4.279 4.216 4.374 0.004 9 0 "[ . 1 . 2]" 1
365 1 22 THR HB 1 24 GLU HB2 . . 5.370 4.637 4.363 4.780 . 0 0 "[ . 1 . 2]" 1
366 1 22 THR MG 1 23 LYS H . . 3.320 2.870 2.534 3.209 . 0 0 "[ . 1 . 2]" 1
367 1 22 THR MG 1 24 GLU HA . . 4.680 4.368 3.882 4.671 . 0 0 "[ . 1 . 2]" 1
368 1 22 THR MG 1 24 GLU HB2 . . 3.460 3.186 2.765 3.469 0.009 15 0 "[ . 1 . 2]" 1
369 1 22 THR MG 1 96 PRO HA . . 4.940 4.474 4.150 4.670 . 0 0 "[ . 1 . 2]" 1
370 1 23 LYS H 1 23 LYS HB2 . . 3.460 2.853 2.771 2.962 . 0 0 "[ . 1 . 2]" 1
371 1 23 LYS H 1 23 LYS HB3 . . 3.460 2.329 2.258 2.359 . 0 0 "[ . 1 . 2]" 1
372 1 23 LYS H 1 23 LYS HD2 . . 5.500 4.365 4.239 4.420 . 0 0 "[ . 1 . 2]" 1
373 1 23 LYS H 1 23 LYS QD . . 4.740 4.211 4.109 4.250 . 0 0 "[ . 1 . 2]" 1
374 1 23 LYS H 1 23 LYS HD3 . . 5.500 5.537 5.506 5.609 0.109 16 0 "[ . 1 . 2]" 1
375 1 23 LYS H 1 23 LYS HG2 . . 4.970 4.282 4.165 4.329 . 0 0 "[ . 1 . 2]" 1
376 1 23 LYS H 1 23 LYS QG . . 4.360 3.956 3.883 3.991 . 0 0 "[ . 1 . 2]" 1
377 1 23 LYS H 1 23 LYS HG3 . . 4.970 4.654 4.608 4.694 . 0 0 "[ . 1 . 2]" 1
378 1 23 LYS H 1 24 GLU H . . 4.790 4.438 4.222 4.583 . 0 0 "[ . 1 . 2]" 1
379 1 23 LYS H 1 96 PRO HA . . 3.640 2.164 1.930 2.348 . 0 0 "[ . 1 . 2]" 1
380 1 23 LYS H 1 96 PRO HB2 . . 4.450 3.843 3.509 4.164 . 0 0 "[ . 1 . 2]" 1
381 1 23 LYS H 1 96 PRO HB3 . . 4.040 3.030 2.571 3.229 . 0 0 "[ . 1 . 2]" 1
382 1 23 LYS H 1 96 PRO QG . . 5.350 4.835 4.513 5.012 . 0 0 "[ . 1 . 2]" 1
383 1 23 LYS H 1 97 TRP HD1 . . 5.120 4.082 3.798 4.436 . 0 0 "[ . 1 . 2]" 1
384 1 23 LYS HA 1 24 GLU H . . 3.140 2.155 2.141 2.183 . 0 0 "[ . 1 . 2]" 1
385 1 23 LYS HA 1 25 THR H . . 4.040 4.077 3.754 4.259 0.219 18 0 "[ . 1 . 2]" 1
386 1 23 LYS HA 1 97 TRP HD1 . . 4.080 2.460 2.297 2.688 . 0 0 "[ . 1 . 2]" 1
387 1 23 LYS HA 1 97 TRP HE1 . . 3.810 2.514 2.177 2.944 . 0 0 "[ . 1 . 2]" 1
388 1 23 LYS QB 1 23 LYS QD . . 3.300 2.003 1.952 2.073 . 0 0 "[ . 1 . 2]" 1
389 1 23 LYS QB 1 23 LYS QE . . 3.690 2.680 2.434 2.856 . 0 0 "[ . 1 . 2]" 1
390 1 23 LYS QB 1 96 PRO HA . . 3.550 2.183 1.952 2.343 . 0 0 "[ . 1 . 2]" 1
391 1 23 LYS QB 1 97 TRP H . . 3.700 3.047 2.683 3.510 . 0 0 "[ . 1 . 2]" 1
392 1 23 LYS QB 1 97 TRP HD1 . . 3.920 2.908 2.633 3.246 . 0 0 "[ . 1 . 2]" 1
393 1 23 LYS HB2 1 24 GLU H . . 5.010 4.209 4.013 4.398 . 0 0 "[ . 1 . 2]" 1
394 1 23 LYS HB2 1 96 PRO HA . . 4.150 2.756 2.424 3.041 . 0 0 "[ . 1 . 2]" 1
395 1 23 LYS HB2 1 97 TRP HE1 . . 5.380 3.075 2.738 3.361 . 0 0 "[ . 1 . 2]" 1
396 1 23 LYS HB3 1 24 GLU H . . 5.010 4.371 4.202 4.507 . 0 0 "[ . 1 . 2]" 1
397 1 23 LYS HB3 1 96 PRO HA . . 4.150 2.292 2.048 2.493 . 0 0 "[ . 1 . 2]" 1
398 1 23 LYS HB3 1 97 TRP HE1 . . 5.380 4.385 4.080 4.654 . 0 0 "[ . 1 . 2]" 1
399 1 23 LYS QD 1 93 SER HA . . 5.340 4.481 3.756 5.162 . 0 0 "[ . 1 . 2]" 1
400 1 23 LYS QD 1 95 SER H . . 4.620 4.230 3.889 4.557 . 0 0 "[ . 1 . 2]" 1
401 1 23 LYS QD 1 96 PRO HA . . 4.450 3.648 3.314 3.853 . 0 0 "[ . 1 . 2]" 1
402 1 23 LYS QD 1 97 TRP HE1 . . 4.740 4.470 4.174 4.664 . 0 0 "[ . 1 . 2]" 1
403 1 23 LYS HD2 1 91 LEU HA . . 5.030 4.725 4.244 5.062 0.032 20 0 "[ . 1 . 2]" 1
404 1 23 LYS HD2 1 97 TRP HE1 . . 5.390 5.051 4.637 5.255 . 0 0 "[ . 1 . 2]" 1
405 1 23 LYS HD3 1 91 LEU HA . . 5.030 3.571 2.847 4.055 . 0 0 "[ . 1 . 2]" 1
406 1 23 LYS HD3 1 97 TRP HE1 . . 5.390 4.989 4.737 5.220 . 0 0 "[ . 1 . 2]" 1
407 1 23 LYS QE 1 23 LYS QG . . 3.140 2.123 1.967 2.208 . 0 0 "[ . 1 . 2]" 1
408 1 23 LYS QE 1 92 ARG H . . 4.020 3.027 2.277 4.125 0.105 15 0 "[ . 1 . 2]" 1
409 1 23 LYS QE 1 96 PRO HA . . 4.980 4.488 3.995 4.910 . 0 0 "[ . 1 . 2]" 1
410 1 23 LYS QE 1 97 TRP H . . 5.340 5.049 4.444 5.330 . 0 0 "[ . 1 . 2]" 1
411 1 23 LYS QE 1 97 TRP HZ2 . . 4.330 2.664 2.063 3.125 . 0 0 "[ . 1 . 2]" 1
412 1 23 LYS HE2 1 91 LEU HA . . 4.640 2.065 1.985 2.347 . 0 0 "[ . 1 . 2]" 1
413 1 23 LYS HE2 1 97 TRP HZ2 . . 5.020 2.874 2.124 3.623 . 0 0 "[ . 1 . 2]" 1
414 1 23 LYS HE3 1 91 LEU HA . . 4.640 3.533 2.583 4.044 . 0 0 "[ . 1 . 2]" 1
415 1 23 LYS HE3 1 97 TRP HZ2 . . 5.020 3.362 2.783 4.172 . 0 0 "[ . 1 . 2]" 1
416 1 23 LYS QG 1 24 GLU H . . 3.620 2.914 2.510 3.333 . 0 0 "[ . 1 . 2]" 1
417 1 23 LYS QG 1 25 THR H . . 4.880 4.087 3.746 4.435 . 0 0 "[ . 1 . 2]" 1
418 1 23 LYS QG 1 26 GLY H . . 5.060 4.064 3.688 4.473 . 0 0 "[ . 1 . 2]" 1
419 1 23 LYS QG 1 96 PRO HA . . 4.890 4.325 4.061 4.504 . 0 0 "[ . 1 . 2]" 1
420 1 23 LYS QG 1 97 TRP HD1 . . 5.340 3.828 3.500 4.124 . 0 0 "[ . 1 . 2]" 1
421 1 23 LYS QG 1 97 TRP HE1 . . 3.840 2.284 1.964 2.495 . 0 0 "[ . 1 . 2]" 1
422 1 23 LYS QG 1 97 TRP HH2 . . 5.210 4.301 3.885 4.988 . 0 0 "[ . 1 . 2]" 1
423 1 23 LYS HG2 1 24 GLU H . . 4.170 3.056 2.551 3.503 . 0 0 "[ . 1 . 2]" 1
424 1 23 LYS HG2 1 97 TRP HZ2 . . 4.620 4.114 3.773 4.803 0.183 4 0 "[ . 1 . 2]" 1
425 1 23 LYS HG3 1 24 GLU H . . 4.170 3.727 3.166 4.174 0.004 20 0 "[ . 1 . 2]" 1
426 1 23 LYS HG3 1 97 TRP HZ2 . . 4.620 2.678 2.305 3.256 . 0 0 "[ . 1 . 2]" 1
427 1 24 GLU H 1 24 GLU HB3 . . 4.130 2.813 2.425 3.028 . 0 0 "[ . 1 . 2]" 1
428 1 24 GLU H 1 24 GLU QG . . 3.520 4.128 3.919 4.211 0.691 3 19 "[**+************* **-]" 1
429 1 24 GLU H 1 25 THR H . . 3.170 2.106 1.944 2.295 . 0 0 "[ . 1 . 2]" 1
430 1 24 GLU H 1 25 THR MG . . 4.610 4.290 3.813 4.400 . 0 0 "[ . 1 . 2]" 1
431 1 24 GLU H 1 26 GLY H . . 3.530 3.126 2.813 3.446 . 0 0 "[ . 1 . 2]" 1
432 1 24 GLU H 1 53 ASP QB . . 4.590 3.753 3.270 4.117 . 0 0 "[ . 1 . 2]" 1
433 1 24 GLU H 1 97 TRP HD1 . . 4.820 4.223 4.069 4.489 . 0 0 "[ . 1 . 2]" 1
434 1 24 GLU H 1 97 TRP HE1 . . 4.030 3.280 2.710 3.697 . 0 0 "[ . 1 . 2]" 1
435 1 24 GLU HA 1 24 GLU HG2 . . 4.110 3.476 3.262 3.724 . 0 0 "[ . 1 . 2]" 1
436 1 24 GLU HA 1 24 GLU QG . . 3.480 2.301 2.173 2.513 . 0 0 "[ . 1 . 2]" 1
437 1 24 GLU HA 1 24 GLU HG3 . . 4.110 2.336 2.204 2.565 . 0 0 "[ . 1 . 2]" 1
438 1 24 GLU HB2 1 25 THR H . . 4.070 3.657 3.496 3.853 . 0 0 "[ . 1 . 2]" 1
439 1 24 GLU HB3 1 25 THR H . . 3.910 2.367 2.184 2.656 . 0 0 "[ . 1 . 2]" 1
440 1 24 GLU HB3 1 25 THR MG . . 3.870 2.732 2.501 3.004 . 0 0 "[ . 1 . 2]" 1
441 1 24 GLU QG 1 25 THR H . . 3.080 3.631 3.076 3.844 0.764 19 14 "[****** **1* *** -+2]" 1
442 1 24 GLU QG 1 25 THR MG . . 2.980 2.648 2.376 2.931 . 0 0 "[ . 1 . 2]" 1
443 1 24 GLU QG 1 26 GLY H . . 3.910 5.460 4.750 5.691 1.781 1 20 [+***************-***] 1
444 1 25 THR H 1 25 THR MG . . 3.560 2.632 2.081 2.863 . 0 0 "[ . 1 . 2]" 1
445 1 25 THR H 1 26 GLY H . . 2.870 2.106 1.903 2.324 . 0 0 "[ . 1 . 2]" 1
446 1 25 THR H 1 26 GLY HA2 . . 4.420 4.416 4.229 4.538 0.118 20 0 "[ . 1 . 2]" 1
447 1 25 THR H 1 26 GLY HA3 . . 5.000 4.802 4.636 4.955 . 0 0 "[ . 1 . 2]" 1
448 1 25 THR H 1 53 ASP H . . 5.430 5.236 4.983 5.330 . 0 0 "[ . 1 . 2]" 1
449 1 25 THR HB 1 26 GLY H . . 4.100 3.691 3.451 4.086 . 0 0 "[ . 1 . 2]" 1
450 1 25 THR MG 1 26 GLY H . . 4.220 3.746 2.096 3.960 . 0 0 "[ . 1 . 2]" 1
451 1 26 GLY H 1 53 ASP H . . 4.340 4.156 3.886 4.345 0.005 16 0 "[ . 1 . 2]" 1
452 1 26 GLY H 1 53 ASP QB . . 4.720 3.573 3.029 4.375 . 0 0 "[ . 1 . 2]" 1
453 1 26 GLY H 1 97 TRP HE1 . . 4.300 3.181 2.963 3.495 . 0 0 "[ . 1 . 2]" 1
454 1 26 GLY H 1 97 TRP HZ2 . . 4.640 4.439 4.150 4.643 0.003 9 0 "[ . 1 . 2]" 1
455 1 26 GLY HA2 1 97 TRP HZ2 . . 3.960 2.043 1.998 2.143 . 0 0 "[ . 1 . 2]" 1
456 1 26 GLY HA3 1 27 LEU H . . 3.190 2.655 2.501 2.841 . 0 0 "[ . 1 . 2]" 1
457 1 26 GLY HA3 1 28 GLY H . . 4.500 4.261 4.051 4.424 . 0 0 "[ . 1 . 2]" 1
458 1 26 GLY HA3 1 91 LEU QD . . 4.480 2.933 1.850 3.492 . 0 0 "[ . 1 . 2]" 1
459 1 26 GLY HA3 1 97 TRP HE1 . . 5.280 4.217 3.826 4.531 . 0 0 "[ . 1 . 2]" 1
460 1 26 GLY HA3 1 97 TRP HH2 . . 5.500 5.427 5.248 5.518 0.018 15 0 "[ . 1 . 2]" 1
461 1 26 GLY HA3 1 97 TRP HZ2 . . 3.690 3.584 3.398 3.692 0.002 13 0 "[ . 1 . 2]" 1
462 1 27 LEU H 1 27 LEU HB2 . . 3.580 2.073 2.041 2.132 . 0 0 "[ . 1 . 2]" 1
463 1 27 LEU H 1 27 LEU QB . . 3.070 2.054 2.021 2.112 . 0 0 "[ . 1 . 2]" 1
464 1 27 LEU H 1 27 LEU HB3 . . 3.580 3.342 3.224 3.441 . 0 0 "[ . 1 . 2]" 1
465 1 27 LEU H 1 27 LEU MD1 . . 4.390 4.181 4.040 4.306 . 0 0 "[ . 1 . 2]" 1
466 1 27 LEU H 1 27 LEU MD2 . . 3.370 2.690 2.245 3.035 . 0 0 "[ . 1 . 2]" 1
467 1 27 LEU H 1 27 LEU HG . . 4.430 4.154 3.988 4.289 . 0 0 "[ . 1 . 2]" 1
468 1 27 LEU H 1 97 TRP HE1 . . 5.080 3.795 3.229 4.233 . 0 0 "[ . 1 . 2]" 1
469 1 27 LEU H 1 97 TRP HH2 . . 4.830 4.168 3.889 4.530 . 0 0 "[ . 1 . 2]" 1
470 1 27 LEU H 1 97 TRP HZ2 . . 3.700 3.006 2.553 3.425 . 0 0 "[ . 1 . 2]" 1
471 1 27 LEU HA 1 27 LEU MD1 . . 3.340 2.298 2.062 2.549 . 0 0 "[ . 1 . 2]" 1
472 1 27 LEU HA 1 27 LEU MD2 . . 4.000 2.065 1.948 2.327 . 0 0 "[ . 1 . 2]" 1
473 1 27 LEU HA 1 27 LEU HG . . 4.020 3.635 3.620 3.654 . 0 0 "[ . 1 . 2]" 1
474 1 27 LEU HA 1 29 LEU QD . . 4.740 3.426 2.990 3.846 . 0 0 "[ . 1 . 2]" 1
475 1 27 LEU HA 1 53 ASP H . . 4.660 4.084 3.384 4.483 . 0 0 "[ . 1 . 2]" 1
476 1 27 LEU HA 1 53 ASP QB . . 3.660 3.144 2.835 3.355 . 0 0 "[ . 1 . 2]" 1
477 1 27 LEU HA 1 54 CYS H . . 4.170 4.264 3.993 4.403 0.233 15 0 "[ . 1 . 2]" 1
478 1 27 LEU HA 1 54 CYS HG . . 3.980 3.630 3.377 3.975 . 0 0 "[ . 1 . 2]" 1
479 1 27 LEU HA 1 97 TRP HE1 . . 4.770 3.801 3.404 4.185 . 0 0 "[ . 1 . 2]" 1
480 1 27 LEU QB 1 28 GLY H . . 3.320 2.155 2.010 2.304 . 0 0 "[ . 1 . 2]" 1
481 1 27 LEU QB 1 29 LEU QD . . 4.300 3.368 2.790 3.839 . 0 0 "[ . 1 . 2]" 1
482 1 27 LEU QB 1 29 LEU HG . . 5.070 3.923 3.137 4.908 . 0 0 "[ . 1 . 2]" 1
483 1 27 LEU QB 1 86 ILE MD . . 4.700 3.798 3.262 4.101 . 0 0 "[ . 1 . 2]" 1
484 1 27 LEU QB 1 97 TRP HZ2 . . 5.340 4.402 4.026 4.894 . 0 0 "[ . 1 . 2]" 1
485 1 27 LEU HB2 1 28 GLY H . . 3.810 2.722 2.527 2.860 . 0 0 "[ . 1 . 2]" 1
486 1 27 LEU HB2 1 86 ILE MD . . 5.500 4.952 4.347 5.356 . 0 0 "[ . 1 . 2]" 1
487 1 27 LEU HB3 1 28 GLY H . . 3.810 2.280 2.056 2.537 . 0 0 "[ . 1 . 2]" 1
488 1 27 LEU HB3 1 86 ILE MD . . 5.500 3.946 3.370 4.273 . 0 0 "[ . 1 . 2]" 1
489 1 27 LEU MD1 1 29 LEU MD1 . . 4.390 2.437 1.755 3.723 . 0 0 "[ . 1 . 2]" 1
490 1 27 LEU MD1 1 29 LEU QD . . 3.110 1.881 1.752 1.997 . 0 0 "[ . 1 . 2]" 1
491 1 27 LEU MD1 1 29 LEU MD2 . . 4.390 3.277 1.784 4.035 . 0 0 "[ . 1 . 2]" 1
492 1 27 LEU MD1 1 29 LEU HG . . 5.100 2.768 2.554 3.025 . 0 0 "[ . 1 . 2]" 1
493 1 27 LEU MD1 1 53 ASP QB . . 4.780 4.222 3.937 4.397 . 0 0 "[ . 1 . 2]" 1
494 1 27 LEU MD1 1 54 CYS H . . 4.600 4.349 3.816 4.597 . 0 0 "[ . 1 . 2]" 1
495 1 27 LEU MD1 1 54 CYS HG . . 4.070 2.681 2.437 3.151 . 0 0 "[ . 1 . 2]" 1
496 1 27 LEU MD1 1 69 ILE MD . . 3.780 2.216 1.910 2.574 . 0 0 "[ . 1 . 2]" 1
497 1 27 LEU MD1 1 69 ILE MG . . 3.350 2.719 2.375 3.136 . 0 0 "[ . 1 . 2]" 1
498 1 27 LEU MD1 1 86 ILE HB . . 5.500 5.067 4.829 5.251 . 0 0 "[ . 1 . 2]" 1
499 1 27 LEU MD1 1 86 ILE MD . . 4.490 3.271 2.836 3.668 . 0 0 "[ . 1 . 2]" 1
500 1 27 LEU MD1 1 86 ILE HG13 . . 5.500 4.575 4.158 5.195 . 0 0 "[ . 1 . 2]" 1
501 1 27 LEU MD1 1 86 ILE MG . . 4.250 2.752 2.337 3.017 . 0 0 "[ . 1 . 2]" 1
502 1 27 LEU MD1 1 97 TRP HB3 . . 4.260 3.507 3.083 3.884 . 0 0 "[ . 1 . 2]" 1
503 1 27 LEU MD1 1 97 TRP HD1 . . 4.890 4.692 4.444 4.878 . 0 0 "[ . 1 . 2]" 1
504 1 27 LEU MD1 1 97 TRP HE1 . . 5.500 5.174 4.959 5.280 . 0 0 "[ . 1 . 2]" 1
505 1 27 LEU MD1 1 97 TRP HE3 . . 4.680 4.524 4.078 4.917 0.237 16 0 "[ . 1 . 2]" 1
506 1 27 LEU MD1 1 99 ILE MD . . 3.100 2.685 2.412 2.898 . 0 0 "[ . 1 . 2]" 1
507 1 27 LEU MD1 1 99 ILE QG . . 4.570 3.827 2.921 4.653 0.083 10 0 "[ . 1 . 2]" 1
508 1 27 LEU MD2 1 28 GLY H . . 4.960 4.369 4.295 4.462 . 0 0 "[ . 1 . 2]" 1
509 1 27 LEU MD2 1 29 LEU QD . . 5.340 3.787 3.409 4.021 . 0 0 "[ . 1 . 2]" 1
510 1 27 LEU MD2 1 29 LEU HG . . 5.300 4.939 4.751 4.996 . 0 0 "[ . 1 . 2]" 1
511 1 27 LEU MD2 1 97 TRP HZ2 . . 4.710 3.330 3.115 3.525 . 0 0 "[ . 1 . 2]" 1
512 1 27 LEU MD2 1 99 ILE MD . . 5.500 3.218 2.746 3.646 . 0 0 "[ . 1 . 2]" 1
513 1 27 LEU HG 1 28 GLY H . . 5.020 4.582 4.456 4.710 . 0 0 "[ . 1 . 2]" 1
514 1 27 LEU HG 1 29 LEU QD . . 4.520 4.195 3.996 4.360 . 0 0 "[ . 1 . 2]" 1
515 1 27 LEU HG 1 29 LEU HG . . 5.500 5.310 5.071 5.461 . 0 0 "[ . 1 . 2]" 1
516 1 27 LEU HG 1 69 ILE HB . . 5.500 5.085 4.562 5.319 . 0 0 "[ . 1 . 2]" 1
517 1 27 LEU HG 1 69 ILE MD . . 3.570 3.186 2.453 3.376 . 0 0 "[ . 1 . 2]" 1
518 1 27 LEU HG 1 69 ILE QG . . 5.060 4.698 4.488 4.930 . 0 0 "[ . 1 . 2]" 1
519 1 27 LEU HG 1 69 ILE MG . . 3.130 2.587 2.180 2.751 . 0 0 "[ . 1 . 2]" 1
520 1 27 LEU HG 1 86 ILE H . . 5.500 5.453 5.304 5.518 0.018 8 0 "[ . 1 . 2]" 1
521 1 27 LEU HG 1 86 ILE HA . . 3.540 3.009 2.803 3.180 . 0 0 "[ . 1 . 2]" 1
522 1 27 LEU HG 1 86 ILE HB . . 4.930 4.743 4.405 4.959 0.029 15 0 "[ . 1 . 2]" 1
523 1 27 LEU HG 1 86 ILE MD . . 4.250 3.969 3.510 4.255 0.005 6 0 "[ . 1 . 2]" 1
524 1 27 LEU HG 1 86 ILE HG12 . . 4.780 2.917 2.512 3.569 . 0 0 "[ . 1 . 2]" 1
525 1 27 LEU HG 1 86 ILE MG . . 3.530 2.300 1.880 2.818 . 0 0 "[ . 1 . 2]" 1
526 1 27 LEU HG 1 89 ALA MB . . 4.050 3.805 3.336 4.035 . 0 0 "[ . 1 . 2]" 1
527 1 27 LEU HG 1 97 TRP HE3 . . 4.920 4.798 4.664 4.926 0.006 4 0 "[ . 1 . 2]" 1
528 1 27 LEU HG 1 97 TRP HH2 . . 5.500 5.486 5.269 5.557 0.057 15 0 "[ . 1 . 2]" 1
529 1 27 LEU HG 1 97 TRP HZ3 . . 5.080 4.953 4.809 5.092 0.012 16 0 "[ . 1 . 2]" 1
530 1 27 LEU HG 1 99 ILE MD . . 5.060 4.805 4.414 5.094 0.034 15 0 "[ . 1 . 2]" 1
531 1 28 GLY H 1 29 LEU H . . 3.420 2.855 2.597 3.097 . 0 0 "[ . 1 . 2]" 1
532 1 28 GLY H 1 29 LEU HB2 . . 5.060 4.828 4.558 5.042 . 0 0 "[ . 1 . 2]" 1
533 1 28 GLY H 1 29 LEU QD . . 5.040 4.297 3.303 4.830 . 0 0 "[ . 1 . 2]" 1
534 1 28 GLY H 1 49 ILE MD . . 4.780 4.696 4.147 5.075 0.295 13 0 "[ . 1 . 2]" 1
535 1 28 GLY H 1 53 ASP H . . 5.430 5.204 4.851 5.328 . 0 0 "[ . 1 . 2]" 1
536 1 28 GLY HA2 1 29 LEU H . . 3.200 2.664 2.505 2.845 . 0 0 "[ . 1 . 2]" 1
537 1 28 GLY HA2 1 49 ILE H . . 5.500 5.522 4.918 6.066 0.566 3 2 "[ + . 1 .- 2]" 1
538 1 28 GLY HA2 1 49 ILE HB . . 4.370 4.075 3.408 4.352 . 0 0 "[ . 1 . 2]" 1
539 1 28 GLY HA2 1 49 ILE MD . . 3.640 2.800 2.158 3.183 . 0 0 "[ . 1 . 2]" 1
540 1 28 GLY HA2 1 49 ILE MG . . 4.750 4.597 4.087 4.800 0.050 19 0 "[ . 1 . 2]" 1
541 1 28 GLY HA3 1 49 ILE H . . 5.500 5.364 4.788 5.869 0.369 3 0 "[ . 1 . 2]" 1
542 1 28 GLY HA3 1 49 ILE HB . . 4.550 3.751 3.081 4.006 . 0 0 "[ . 1 . 2]" 1
543 1 28 GLY HA3 1 49 ILE MG . . 4.780 4.444 3.925 4.770 . 0 0 "[ . 1 . 2]" 1
544 1 28 GLY HA3 1 52 GLY HA2 . . 4.510 3.654 3.323 3.900 . 0 0 "[ . 1 . 2]" 1
545 1 28 GLY HA3 1 52 GLY QA . . 3.790 2.911 2.507 3.127 . 0 0 "[ . 1 . 2]" 1
546 1 28 GLY HA3 1 52 GLY HA3 . . 4.510 3.062 2.581 3.316 . 0 0 "[ . 1 . 2]" 1
547 1 28 GLY HA3 1 53 ASP H . . 4.260 3.892 3.715 4.062 . 0 0 "[ . 1 . 2]" 1
548 1 28 GLY HA3 1 54 CYS H . . 5.500 5.406 5.225 5.509 0.009 16 0 "[ . 1 . 2]" 1
549 1 29 LEU H 1 29 LEU HB2 . . 3.290 2.676 2.400 2.871 . 0 0 "[ . 1 . 2]" 1
550 1 29 LEU H 1 29 LEU HB3 . . 4.000 3.787 3.593 3.907 . 0 0 "[ . 1 . 2]" 1
551 1 29 LEU H 1 29 LEU MD1 . . 4.270 4.199 4.041 4.362 0.092 4 0 "[ . 1 . 2]" 1
552 1 29 LEU H 1 29 LEU QD . . 3.530 3.290 2.418 3.754 0.224 15 0 "[ . 1 . 2]" 1
553 1 29 LEU H 1 29 LEU MD2 . . 4.270 3.540 2.434 4.121 . 0 0 "[ . 1 . 2]" 1
554 1 29 LEU H 1 29 LEU HG . . 4.400 3.600 3.014 4.471 0.071 16 0 "[ . 1 . 2]" 1
555 1 29 LEU H 1 30 LYS H . . 4.550 4.405 4.321 4.505 . 0 0 "[ . 1 . 2]" 1
556 1 29 LEU H 1 49 ILE MD . . 4.170 3.511 3.018 4.170 . 0 0 "[ . 1 . 2]" 1
557 1 29 LEU H 1 86 ILE MD . . 4.010 3.694 3.245 4.268 0.258 7 0 "[ . 1 . 2]" 1
558 1 29 LEU H 1 86 ILE MG . . 4.670 2.619 2.244 3.085 . 0 0 "[ . 1 . 2]" 1
559 1 29 LEU HA 1 29 LEU MD1 . . 4.270 3.377 2.040 3.936 . 0 0 "[ . 1 . 2]" 1
560 1 29 LEU HA 1 29 LEU QD . . 3.010 2.110 1.972 2.303 . 0 0 "[ . 1 . 2]" 1
561 1 29 LEU HA 1 29 LEU MD2 . . 4.270 2.293 1.978 2.711 . 0 0 "[ . 1 . 2]" 1
562 1 29 LEU HA 1 30 LYS H . . 2.930 2.274 2.181 2.392 . 0 0 "[ . 1 . 2]" 1
563 1 29 LEU HA 1 45 ILE MG . . 4.720 4.450 4.119 4.699 . 0 0 "[ . 1 . 2]" 1
564 1 29 LEU HA 1 47 GLU H . . 5.400 5.106 4.827 5.455 0.055 16 0 "[ . 1 . 2]" 1
565 1 29 LEU HA 1 48 VAL HA . . 3.970 2.858 2.241 3.584 . 0 0 "[ . 1 . 2]" 1
566 1 29 LEU HA 1 48 VAL MG1 . . 5.230 4.864 4.247 5.247 0.017 13 0 "[ . 1 . 2]" 1
567 1 29 LEU HA 1 48 VAL QG . . 4.500 3.789 3.467 4.233 . 0 0 "[ . 1 . 2]" 1
568 1 29 LEU HA 1 48 VAL MG2 . . 5.230 4.142 3.533 5.041 . 0 0 "[ . 1 . 2]" 1
569 1 29 LEU HA 1 49 ILE H . . 4.010 2.811 2.577 3.155 . 0 0 "[ . 1 . 2]" 1
570 1 29 LEU HA 1 49 ILE MD . . 4.370 3.310 2.533 4.170 . 0 0 "[ . 1 . 2]" 1
571 1 29 LEU HA 1 49 ILE HG13 . . 4.560 3.483 2.727 4.022 . 0 0 "[ . 1 . 2]" 1
572 1 29 LEU HB2 1 29 LEU QD . . 2.990 2.239 2.093 2.315 . 0 0 "[ . 1 . 2]" 1
573 1 29 LEU HB2 1 30 LYS H . . 4.590 3.925 3.643 4.207 . 0 0 "[ . 1 . 2]" 1
574 1 29 LEU HB2 1 86 ILE MG . . 3.340 3.114 2.405 3.346 0.006 20 0 "[ . 1 . 2]" 1
575 1 29 LEU HB3 1 29 LEU QD . . 3.100 2.103 2.019 2.268 . 0 0 "[ . 1 . 2]" 1
576 1 29 LEU HB3 1 30 LYS H . . 3.790 2.774 2.453 3.111 . 0 0 "[ . 1 . 2]" 1
577 1 29 LEU HB3 1 31 ILE MG . . 4.370 4.213 3.891 4.568 0.198 17 0 "[ . 1 . 2]" 1
578 1 29 LEU HB3 1 45 ILE MG . . 3.870 3.254 2.846 3.804 . 0 0 "[ . 1 . 2]" 1
579 1 29 LEU QD 1 30 LYS H . . 3.600 3.127 2.678 3.486 . 0 0 "[ . 1 . 2]" 1
580 1 29 LEU QD 1 45 ILE MG . . 3.380 2.814 2.428 3.296 . 0 0 "[ . 1 . 2]" 1
581 1 29 LEU QD 1 47 GLU H . . 5.440 4.671 4.278 5.089 . 0 0 "[ . 1 . 2]" 1
582 1 29 LEU QD 1 48 VAL HA . . 3.250 2.055 1.809 2.435 . 0 0 "[ . 1 . 2]" 1
583 1 29 LEU QD 1 49 ILE H . . 3.460 3.096 2.598 3.509 0.049 7 0 "[ . 1 . 2]" 1
584 1 29 LEU QD 1 54 CYS H . . 4.100 2.995 2.179 3.489 . 0 0 "[ . 1 . 2]" 1
585 1 29 LEU QD 1 54 CYS HB2 . . 3.560 1.893 1.773 2.048 . 0 0 "[ . 1 . 2]" 1
586 1 29 LEU QD 1 54 CYS HB3 . . 3.800 2.629 2.382 2.941 . 0 0 "[ . 1 . 2]" 1
587 1 29 LEU QD 1 54 CYS HG . . 4.640 2.207 1.929 2.858 . 0 0 "[ . 1 . 2]" 1
588 1 29 LEU MD1 1 54 CYS H . . 4.700 3.894 3.658 4.264 . 0 0 "[ . 1 . 2]" 1
589 1 29 LEU MD1 1 54 CYS HB2 . . 4.910 2.436 2.034 2.994 . 0 0 "[ . 1 . 2]" 1
590 1 29 LEU MD2 1 54 CYS H . . 4.700 3.206 2.191 3.926 . 0 0 "[ . 1 . 2]" 1
591 1 29 LEU MD2 1 54 CYS HB2 . . 4.910 2.004 1.786 2.305 . 0 0 "[ . 1 . 2]" 1
592 1 29 LEU HG 1 54 CYS HB3 . . 5.100 4.548 3.666 5.110 0.010 5 0 "[ . 1 . 2]" 1
593 1 30 LYS H 1 30 LYS HB2 . . 3.860 2.555 2.470 2.631 . 0 0 "[ . 1 . 2]" 1
594 1 30 LYS H 1 30 LYS HB3 . . 3.860 3.703 3.657 3.763 . 0 0 "[ . 1 . 2]" 1
595 1 30 LYS H 1 30 LYS HG2 . . 4.120 3.726 3.358 4.042 . 0 0 "[ . 1 . 2]" 1
596 1 30 LYS H 1 30 LYS QG . . 3.560 2.641 2.480 2.803 . 0 0 "[ . 1 . 2]" 1
597 1 30 LYS H 1 30 LYS HG3 . . 4.120 2.708 2.510 2.882 . 0 0 "[ . 1 . 2]" 1
598 1 30 LYS H 1 31 ILE H . . 4.610 4.506 4.431 4.568 . 0 0 "[ . 1 . 2]" 1
599 1 30 LYS H 1 31 ILE MG . . 4.750 4.626 4.384 4.766 0.016 19 0 "[ . 1 . 2]" 1
600 1 30 LYS H 1 45 ILE MG . . 3.650 3.461 3.235 3.656 0.006 4 0 "[ . 1 . 2]" 1
601 1 30 LYS H 1 46 HIS H . . 5.000 4.550 4.078 4.794 . 0 0 "[ . 1 . 2]" 1
602 1 30 LYS H 1 47 GLU H . . 3.560 3.039 2.835 3.364 . 0 0 "[ . 1 . 2]" 1
603 1 30 LYS H 1 48 VAL HA . . 4.400 3.277 2.881 3.872 . 0 0 "[ . 1 . 2]" 1
604 1 30 LYS H 1 49 ILE H . . 4.760 3.526 3.282 3.901 . 0 0 "[ . 1 . 2]" 1
605 1 30 LYS H 1 49 ILE MD . . 4.450 3.937 3.399 4.447 . 0 0 "[ . 1 . 2]" 1
606 1 30 LYS H 1 49 ILE HG12 . . 5.500 5.351 4.597 5.511 0.011 2 0 "[ . 1 . 2]" 1
607 1 30 LYS H 1 49 ILE HG13 . . 4.330 3.740 3.031 3.950 . 0 0 "[ . 1 . 2]" 1
608 1 30 LYS HA 1 30 LYS QG . . 3.540 2.449 2.369 2.546 . 0 0 "[ . 1 . 2]" 1
609 1 30 LYS HA 1 31 ILE H . . 3.090 2.225 2.164 2.298 . 0 0 "[ . 1 . 2]" 1
610 1 30 LYS HA 1 31 ILE HG12 . . 4.790 4.537 4.338 4.754 . 0 0 "[ . 1 . 2]" 1
611 1 30 LYS HA 1 31 ILE QG . . 4.170 3.861 3.705 4.130 . 0 0 "[ . 1 . 2]" 1
612 1 30 LYS HA 1 31 ILE HG13 . . 4.790 4.202 3.971 4.597 . 0 0 "[ . 1 . 2]" 1
613 1 30 LYS HA 1 31 ILE MG . . 4.430 3.625 3.452 3.825 . 0 0 "[ . 1 . 2]" 1
614 1 30 LYS HA 1 49 ILE MD . . 4.730 4.060 3.603 4.429 . 0 0 "[ . 1 . 2]" 1
615 1 30 LYS QB 1 30 LYS QD . . 3.280 2.110 2.036 2.138 . 0 0 "[ . 1 . 2]" 1
616 1 30 LYS QB 1 46 HIS H . . 4.350 3.553 3.315 3.702 . 0 0 "[ . 1 . 2]" 1
617 1 30 LYS QB 1 46 HIS HB2 . . 3.990 3.190 3.064 3.341 . 0 0 "[ . 1 . 2]" 1
618 1 30 LYS QB 1 46 HIS HD2 . . 3.490 3.431 3.112 3.757 0.267 9 0 "[ . 1 . 2]" 1
619 1 30 LYS QB 1 47 GLU QB . . 4.220 2.855 2.645 3.103 . 0 0 "[ . 1 . 2]" 1
620 1 30 LYS QB 1 49 ILE MD . . 4.490 4.094 3.749 4.287 . 0 0 "[ . 1 . 2]" 1
621 1 30 LYS HB2 1 31 ILE H . . 4.280 3.963 3.783 4.099 . 0 0 "[ . 1 . 2]" 1
622 1 30 LYS HB2 1 46 HIS HB2 . . 4.590 3.856 3.723 4.130 . 0 0 "[ . 1 . 2]" 1
623 1 30 LYS HB2 1 46 HIS HB3 . . 4.200 2.113 1.998 2.375 . 0 0 "[ . 1 . 2]" 1
624 1 30 LYS HB2 1 46 HIS HD2 . . 4.200 3.656 3.240 4.044 . 0 0 "[ . 1 . 2]" 1
625 1 30 LYS HB2 1 47 GLU H . . 3.840 2.032 1.901 2.184 . 0 0 "[ . 1 . 2]" 1
626 1 30 LYS HB3 1 31 ILE H . . 4.280 2.948 2.702 3.210 . 0 0 "[ . 1 . 2]" 1
627 1 30 LYS HB3 1 46 HIS HB2 . . 4.590 3.403 3.250 3.571 . 0 0 "[ . 1 . 2]" 1
628 1 30 LYS HB3 1 46 HIS HB3 . . 4.200 2.072 1.997 2.184 . 0 0 "[ . 1 . 2]" 1
629 1 30 LYS HB3 1 46 HIS HD2 . . 4.200 4.165 3.798 4.464 0.264 7 0 "[ . 1 . 2]" 1
630 1 30 LYS HB3 1 47 GLU H . . 3.840 3.485 3.355 3.628 . 0 0 "[ . 1 . 2]" 1
631 1 30 LYS QD 1 49 ILE MD . . 4.350 3.617 3.314 3.964 . 0 0 "[ . 1 . 2]" 1
632 1 30 LYS QD 1 49 ILE HG12 . . 4.670 3.583 2.847 4.221 . 0 0 "[ . 1 . 2]" 1
633 1 30 LYS HD2 1 46 HIS HD2 . . 4.820 3.795 2.972 4.967 0.147 10 0 "[ . 1 . 2]" 1
634 1 30 LYS HD3 1 46 HIS HD2 . . 4.820 4.106 3.110 5.018 0.198 15 0 "[ . 1 . 2]" 1
635 1 30 LYS QE 1 30 LYS QG . . 2.820 2.095 1.955 2.142 . 0 0 "[ . 1 . 2]" 1
636 1 30 LYS QE 1 49 ILE MD . . 3.690 2.421 1.966 3.000 . 0 0 "[ . 1 . 2]" 1
637 1 30 LYS QE 1 49 ILE HG12 . . 4.330 2.164 1.869 2.687 . 0 0 "[ . 1 . 2]" 1
638 1 30 LYS QE 1 49 ILE MG . . 4.110 3.630 3.302 4.017 . 0 0 "[ . 1 . 2]" 1
639 1 30 LYS HE2 1 30 LYS HG2 . . 4.180 2.525 2.015 3.084 . 0 0 "[ . 1 . 2]" 1
640 1 30 LYS HE2 1 30 LYS HG3 . . 4.180 3.066 2.570 3.728 . 0 0 "[ . 1 . 2]" 1
641 1 30 LYS HE2 1 49 ILE MD . . 4.210 2.922 2.017 3.917 . 0 0 "[ . 1 . 2]" 1
642 1 30 LYS HE3 1 30 LYS HG2 . . 4.180 3.059 2.284 3.572 . 0 0 "[ . 1 . 2]" 1
643 1 30 LYS HE3 1 30 LYS HG3 . . 4.180 2.769 2.099 3.499 . 0 0 "[ . 1 . 2]" 1
644 1 30 LYS HE3 1 49 ILE MD . . 4.210 2.901 1.976 3.548 . 0 0 "[ . 1 . 2]" 1
645 1 30 LYS QG 1 31 ILE H . . 4.730 4.089 4.002 4.220 . 0 0 "[ . 1 . 2]" 1
646 1 30 LYS QG 1 49 ILE MD . . 3.180 2.208 1.923 2.423 . 0 0 "[ . 1 . 2]" 1
647 1 30 LYS QG 1 49 ILE HG13 . . 3.740 2.187 2.030 2.370 . 0 0 "[ . 1 . 2]" 1
648 1 30 LYS HG2 1 31 ILE H . . 5.500 4.323 4.203 4.578 . 0 0 "[ . 1 . 2]" 1
649 1 30 LYS HG2 1 47 GLU H . . 5.500 4.982 4.862 5.148 . 0 0 "[ . 1 . 2]" 1
650 1 30 LYS HG3 1 31 ILE H . . 5.500 5.061 4.814 5.244 . 0 0 "[ . 1 . 2]" 1
651 1 30 LYS HG3 1 47 GLU H . . 5.500 4.106 3.898 4.400 . 0 0 "[ . 1 . 2]" 1
652 1 31 ILE H 1 31 ILE MD . . 4.320 3.768 3.635 3.986 . 0 0 "[ . 1 . 2]" 1
653 1 31 ILE H 1 31 ILE HG12 . . 3.420 2.940 2.661 3.282 . 0 0 "[ . 1 . 2]" 1
654 1 31 ILE H 1 31 ILE HG13 . . 3.420 2.126 1.927 2.444 . 0 0 "[ . 1 . 2]" 1
655 1 31 ILE H 1 31 ILE MG . . 3.390 2.788 2.583 2.965 . 0 0 "[ . 1 . 2]" 1
656 1 31 ILE H 1 46 HIS H . . 4.650 3.892 3.773 4.002 . 0 0 "[ . 1 . 2]" 1
657 1 31 ILE H 1 46 HIS HB3 . . 4.980 3.413 3.195 3.694 . 0 0 "[ . 1 . 2]" 1
658 1 31 ILE H 1 79 PHE QE . . 4.900 4.100 3.902 4.450 . 0 0 "[ . 1 . 2]" 1
659 1 31 ILE HA 1 31 ILE MD . . 4.520 3.942 3.814 4.033 . 0 0 "[ . 1 . 2]" 1
660 1 31 ILE HA 1 31 ILE MG . . 3.220 2.298 2.191 2.394 . 0 0 "[ . 1 . 2]" 1
661 1 31 ILE HA 1 32 LEU H . . 3.140 2.367 2.293 2.430 . 0 0 "[ . 1 . 2]" 1
662 1 31 ILE HA 1 32 LEU HA . . 4.770 4.453 4.418 4.481 . 0 0 "[ . 1 . 2]" 1
663 1 31 ILE HA 1 32 LEU HB2 . . 4.930 3.995 3.969 4.024 . 0 0 "[ . 1 . 2]" 1
664 1 31 ILE HA 1 43 VAL QG . . 4.410 3.690 3.329 4.376 . 0 0 "[ . 1 . 2]" 1
665 1 31 ILE HA 1 45 ILE HA . . 3.610 2.611 2.248 2.823 . 0 0 "[ . 1 . 2]" 1
666 1 31 ILE HA 1 45 ILE MG . . 4.590 4.158 3.813 4.386 . 0 0 "[ . 1 . 2]" 1
667 1 31 ILE HA 1 46 HIS H . . 3.420 1.983 1.889 2.195 . 0 0 "[ . 1 . 2]" 1
668 1 31 ILE HA 1 46 HIS HB2 . . 4.350 3.284 3.179 3.460 . 0 0 "[ . 1 . 2]" 1
669 1 31 ILE HA 1 46 HIS HB3 . . 4.250 3.625 3.395 3.911 . 0 0 "[ . 1 . 2]" 1
670 1 31 ILE HA 1 47 GLU H . . 4.730 4.424 4.313 4.596 . 0 0 "[ . 1 . 2]" 1
671 1 31 ILE HB 1 31 ILE MD . . 3.180 2.110 1.998 2.207 . 0 0 "[ . 1 . 2]" 1
672 1 31 ILE HB 1 32 LEU H . . 3.160 2.475 2.316 2.669 . 0 0 "[ . 1 . 2]" 1
673 1 31 ILE HB 1 43 VAL QG . . 2.950 2.280 1.968 3.037 0.087 12 0 "[ . 1 . 2]" 1
674 1 31 ILE MD 1 31 ILE MG . . 3.290 2.803 2.614 2.950 . 0 0 "[ . 1 . 2]" 1
675 1 31 ILE MD 1 32 LEU H . . 4.380 3.492 3.152 3.784 . 0 0 "[ . 1 . 2]" 1
676 1 31 ILE MD 1 32 LEU HA . . 4.300 3.641 3.075 4.051 . 0 0 "[ . 1 . 2]" 1
677 1 31 ILE MD 1 43 VAL QG . . 3.160 2.452 2.061 2.961 . 0 0 "[ . 1 . 2]" 1
678 1 31 ILE MD 1 74 MET ME . . 3.630 3.638 3.273 4.080 0.450 3 0 "[ . 1 . 2]" 1
679 1 31 ILE MD 1 79 PHE HA . . 4.380 2.805 2.556 2.917 . 0 0 "[ . 1 . 2]" 1
680 1 31 ILE MD 1 79 PHE QB . . 4.560 3.848 3.538 3.980 . 0 0 "[ . 1 . 2]" 1
681 1 31 ILE MD 1 79 PHE QD . . 3.500 2.030 1.889 2.426 . 0 0 "[ . 1 . 2]" 1
682 1 31 ILE MD 1 79 PHE QE . . 4.320 2.344 2.033 2.883 . 0 0 "[ . 1 . 2]" 1
683 1 31 ILE MD 1 79 PHE HZ . . 4.890 4.058 3.805 4.462 . 0 0 "[ . 1 . 2]" 1
684 1 31 ILE MD 1 82 ALA H . . 4.700 3.738 3.437 4.012 . 0 0 "[ . 1 . 2]" 1
685 1 31 ILE MD 1 82 ALA HA . . 4.790 4.015 3.744 4.391 . 0 0 "[ . 1 . 2]" 1
686 1 31 ILE MD 1 82 ALA MB . . 2.960 1.786 1.700 1.924 . 0 0 "[ . 1 . 2]" 1
687 1 31 ILE MD 1 83 LYS H . . 3.920 2.386 1.923 2.895 . 0 0 "[ . 1 . 2]" 1
688 1 31 ILE MD 1 83 LYS HA . . 3.690 3.303 2.958 3.703 0.013 2 0 "[ . 1 . 2]" 1
689 1 31 ILE MD 1 83 LYS QB . . 4.440 2.370 1.948 3.017 . 0 0 "[ . 1 . 2]" 1
690 1 31 ILE MD 1 83 LYS HG2 . . 4.650 4.239 3.621 4.728 0.078 5 0 "[ . 1 . 2]" 1
691 1 31 ILE MD 1 83 LYS QG . . 3.980 3.163 2.339 3.867 . 0 0 "[ . 1 . 2]" 1
692 1 31 ILE MD 1 83 LYS HG3 . . 4.650 3.290 2.368 4.134 . 0 0 "[ . 1 . 2]" 1
693 1 31 ILE QG 1 79 PHE QD . . 4.010 3.781 3.535 3.942 . 0 0 "[ . 1 . 2]" 1
694 1 31 ILE QG 1 79 PHE QE . . 3.620 2.687 2.275 3.005 . 0 0 "[ . 1 . 2]" 1
695 1 31 ILE QG 1 83 LYS HA . . 3.950 2.400 1.969 2.971 . 0 0 "[ . 1 . 2]" 1
696 1 31 ILE QG 1 83 LYS QG . . 4.530 2.272 1.769 3.046 . 0 0 "[ . 1 . 2]" 1
697 1 31 ILE HG12 1 31 ILE MG . . 3.410 2.082 1.958 2.176 . 0 0 "[ . 1 . 2]" 1
698 1 31 ILE HG13 1 31 ILE MG . . 3.410 2.958 2.844 3.077 . 0 0 "[ . 1 . 2]" 1
699 1 31 ILE MG 1 32 LEU H . . 3.890 3.685 3.551 3.826 . 0 0 "[ . 1 . 2]" 1
700 1 31 ILE MG 1 45 ILE HA . . 3.470 3.352 2.988 3.479 0.009 11 0 "[ . 1 . 2]" 1
701 1 31 ILE MG 1 46 HIS H . . 4.070 3.780 3.663 3.981 . 0 0 "[ . 1 . 2]" 1
702 1 31 ILE MG 1 79 PHE QD . . 5.500 5.414 5.266 5.513 0.013 17 0 "[ . 1 . 2]" 1
703 1 31 ILE MG 1 79 PHE QE . . 5.500 4.959 4.600 5.237 . 0 0 "[ . 1 . 2]" 1
704 1 32 LEU H 1 32 LEU HB2 . . 3.540 2.555 2.465 2.624 . 0 0 "[ . 1 . 2]" 1
705 1 32 LEU H 1 32 LEU MD2 . . 4.470 4.295 4.238 4.365 . 0 0 "[ . 1 . 2]" 1
706 1 32 LEU H 1 32 LEU HG . . 4.540 4.095 4.011 4.162 . 0 0 "[ . 1 . 2]" 1
707 1 32 LEU H 1 43 VAL HA . . 4.040 3.947 3.857 4.063 0.023 2 0 "[ . 1 . 2]" 1
708 1 32 LEU H 1 43 VAL QG . . 3.740 2.865 2.384 3.822 0.082 6 0 "[ . 1 . 2]" 1
709 1 32 LEU H 1 44 TYR HB2 . . 4.780 4.272 3.993 4.620 . 0 0 "[ . 1 . 2]" 1
710 1 32 LEU H 1 44 TYR QD . . 4.840 4.236 3.668 4.498 . 0 0 "[ . 1 . 2]" 1
711 1 32 LEU H 1 45 ILE HA . . 4.480 3.994 3.738 4.151 . 0 0 "[ . 1 . 2]" 1
712 1 32 LEU H 1 46 HIS H . . 4.270 3.245 3.096 3.435 . 0 0 "[ . 1 . 2]" 1
713 1 32 LEU H 1 46 HIS HB2 . . 4.630 3.530 3.248 3.808 . 0 0 "[ . 1 . 2]" 1
714 1 32 LEU H 1 46 HIS HB3 . . 5.140 4.789 4.405 5.129 . 0 0 "[ . 1 . 2]" 1
715 1 32 LEU H 1 79 PHE QD . . 5.200 4.920 4.687 5.236 0.036 17 0 "[ . 1 . 2]" 1
716 1 32 LEU H 1 79 PHE QE . . 5.500 4.276 3.397 4.794 . 0 0 "[ . 1 . 2]" 1
717 1 32 LEU HA 1 33 GLY H . . 3.330 2.391 2.250 2.451 . 0 0 "[ . 1 . 2]" 1
718 1 32 LEU HB2 1 32 LEU MD1 . . 3.090 2.316 2.267 2.384 . 0 0 "[ . 1 . 2]" 1
719 1 32 LEU HB2 1 44 TYR H . . 4.450 3.484 3.304 3.689 . 0 0 "[ . 1 . 2]" 1
720 1 32 LEU HB2 1 44 TYR HB2 . . 4.570 3.325 3.127 3.598 . 0 0 "[ . 1 . 2]" 1
721 1 32 LEU HB2 1 44 TYR HB3 . . 5.280 5.011 4.843 5.216 . 0 0 "[ . 1 . 2]" 1
722 1 32 LEU HB2 1 44 TYR QD . . 5.320 3.064 2.906 3.307 . 0 0 "[ . 1 . 2]" 1
723 1 32 LEU HB3 1 33 GLY H . . 3.510 2.707 2.504 3.091 . 0 0 "[ . 1 . 2]" 1
724 1 32 LEU HB3 1 39 GLU HB2 . . 4.750 3.693 3.553 3.843 . 0 0 "[ . 1 . 2]" 1
725 1 32 LEU HB3 1 39 GLU QB . . 4.120 2.850 2.799 2.879 . 0 0 "[ . 1 . 2]" 1
726 1 32 LEU HB3 1 39 GLU HB3 . . 4.750 2.966 2.929 2.998 . 0 0 "[ . 1 . 2]" 1
727 1 32 LEU HB3 1 39 GLU HG2 . . 4.680 4.099 2.763 4.690 0.010 20 0 "[ . 1 . 2]" 1
728 1 32 LEU HB3 1 39 GLU QG . . 4.010 2.930 2.734 3.111 . 0 0 "[ . 1 . 2]" 1
729 1 32 LEU HB3 1 39 GLU HG3 . . 4.680 3.442 2.909 4.537 . 0 0 "[ . 1 . 2]" 1
730 1 32 LEU HB3 1 44 TYR QD . . 4.650 2.422 2.151 2.666 . 0 0 "[ . 1 . 2]" 1
731 1 32 LEU HB3 1 46 HIS HB2 . . 4.630 4.275 4.066 4.452 . 0 0 "[ . 1 . 2]" 1
732 1 32 LEU HB3 1 79 PHE QD . . 5.500 5.883 5.546 6.144 0.644 11 7 "[ * . * 1+ **. * -]" 1
733 1 32 LEU HB3 1 79 PHE QE . . 5.500 5.324 4.584 5.732 0.232 19 0 "[ . 1 . 2]" 1
734 1 32 LEU MD1 1 33 GLY H . . 4.290 4.012 3.831 4.289 . 0 0 "[ . 1 . 2]" 1
735 1 32 LEU MD1 1 39 GLU HB2 . . 4.850 4.136 3.961 4.285 . 0 0 "[ . 1 . 2]" 1
736 1 32 LEU MD1 1 39 GLU QB . . 4.130 3.569 3.372 3.720 . 0 0 "[ . 1 . 2]" 1
737 1 32 LEU MD1 1 39 GLU HB3 . . 4.850 3.902 3.622 4.112 . 0 0 "[ . 1 . 2]" 1
738 1 32 LEU MD1 1 39 GLU HG2 . . 4.570 3.294 1.980 4.031 . 0 0 "[ . 1 . 2]" 1
739 1 32 LEU MD1 1 39 GLU QG . . 3.690 2.249 1.968 2.508 . 0 0 "[ . 1 . 2]" 1
740 1 32 LEU MD1 1 39 GLU HG3 . . 4.570 2.710 1.979 4.046 . 0 0 "[ . 1 . 2]" 1
741 1 32 LEU MD1 1 44 TYR H . . 5.220 5.045 4.841 5.191 . 0 0 "[ . 1 . 2]" 1
742 1 32 LEU MD1 1 44 TYR HB2 . . 4.340 3.923 3.757 4.058 . 0 0 "[ . 1 . 2]" 1
743 1 32 LEU MD1 1 44 TYR HB3 . . 5.500 5.398 5.218 5.517 0.017 14 0 "[ . 1 . 2]" 1
744 1 32 LEU MD1 1 44 TYR QD . . 3.920 3.450 3.240 3.840 . 0 0 "[ . 1 . 2]" 1
745 1 32 LEU MD1 1 44 TYR QE . . 4.690 4.605 4.248 4.921 0.231 14 0 "[ . 1 . 2]" 1
746 1 32 LEU MD1 1 46 HIS HA . . 4.530 2.299 2.091 2.532 . 0 0 "[ . 1 . 2]" 1
747 1 32 LEU MD1 1 46 HIS HB2 . . 3.870 3.438 3.260 3.635 . 0 0 "[ . 1 . 2]" 1
748 1 32 LEU MD1 1 46 HIS HB3 . . 4.830 4.454 4.210 4.636 . 0 0 "[ . 1 . 2]" 1
749 1 32 LEU MD1 1 46 HIS HD2 . . 5.420 4.132 3.605 4.337 . 0 0 "[ . 1 . 2]" 1
750 1 32 LEU MD1 1 46 HIS HE1 . . 4.560 3.938 3.655 4.312 . 0 0 "[ . 1 . 2]" 1
751 1 32 LEU MD2 1 33 GLY H . . 3.960 1.894 1.850 2.021 . 0 0 "[ . 1 . 2]" 1
752 1 32 LEU MD2 1 39 GLU QB . . 4.190 2.603 2.198 2.919 . 0 0 "[ . 1 . 2]" 1
753 1 32 LEU MD2 1 39 GLU QG . . 4.020 2.353 1.931 2.976 . 0 0 "[ . 1 . 2]" 1
754 1 32 LEU MD2 1 46 HIS H . . 5.500 5.278 5.065 5.486 . 0 0 "[ . 1 . 2]" 1
755 1 32 LEU MD2 1 46 HIS HA . . 4.550 4.174 3.971 4.255 . 0 0 "[ . 1 . 2]" 1
756 1 32 LEU MD2 1 46 HIS HB2 . . 3.980 3.480 3.351 3.601 . 0 0 "[ . 1 . 2]" 1
757 1 32 LEU MD2 1 46 HIS HB3 . . 5.110 4.788 4.658 4.871 . 0 0 "[ . 1 . 2]" 1
758 1 32 LEU MD2 1 46 HIS HD2 . . 5.440 5.274 5.146 5.409 . 0 0 "[ . 1 . 2]" 1
759 1 32 LEU MD2 1 79 PHE QD . . 5.040 4.519 3.967 4.924 . 0 0 "[ . 1 . 2]" 1
760 1 32 LEU MD2 1 79 PHE QE . . 4.800 3.557 3.366 3.764 . 0 0 "[ . 1 . 2]" 1
761 1 32 LEU HG 1 46 HIS HB2 . . 3.680 2.040 1.994 2.217 . 0 0 "[ . 1 . 2]" 1
762 1 32 LEU HG 1 46 HIS HB3 . . 4.100 3.574 3.510 3.687 . 0 0 "[ . 1 . 2]" 1
763 1 33 GLY H 1 34 GLY H . . 5.210 4.586 4.537 4.612 . 0 0 "[ . 1 . 2]" 1
764 1 33 GLY H 1 37 ARG HG3 . . 4.160 3.890 3.552 4.159 . 0 0 "[ . 1 . 2]" 1
765 1 33 GLY H 1 39 GLU QB . . 4.490 2.247 2.080 2.448 . 0 0 "[ . 1 . 2]" 1
766 1 33 GLY H 1 39 GLU QG . . 4.490 3.433 3.194 3.840 . 0 0 "[ . 1 . 2]" 1
767 1 33 GLY H 1 44 TYR QD . . 5.190 4.484 4.084 4.985 . 0 0 "[ . 1 . 2]" 1
768 1 33 GLY H 1 79 PHE QD . . 4.120 4.042 3.569 4.426 0.306 13 0 "[ . 1 . 2]" 1
769 1 33 GLY HA2 1 37 ARG HB2 . . 4.280 3.165 2.878 3.434 . 0 0 "[ . 1 . 2]" 1
770 1 33 GLY HA2 1 37 ARG HB3 . . 4.130 3.365 3.080 3.567 . 0 0 "[ . 1 . 2]" 1
771 1 33 GLY HA2 1 38 ASN H . . 5.500 4.724 4.421 4.962 . 0 0 "[ . 1 . 2]" 1
772 1 33 GLY HA2 1 39 GLU H . . 4.530 3.005 2.756 3.198 . 0 0 "[ . 1 . 2]" 1
773 1 33 GLY HA2 1 39 GLU QB . . 3.280 1.891 1.864 1.927 . 0 0 "[ . 1 . 2]" 1
774 1 33 GLY HA2 1 40 GLY H . . 3.960 2.328 2.198 2.584 . 0 0 "[ . 1 . 2]" 1
775 1 33 GLY HA2 1 79 PHE QD . . 5.500 5.052 4.826 5.313 . 0 0 "[ . 1 . 2]" 1
776 1 33 GLY HA3 1 40 GLY H . . 4.420 3.520 3.421 3.651 . 0 0 "[ . 1 . 2]" 1
777 1 33 GLY HA3 1 40 GLY HA2 . . 4.770 2.700 2.586 2.805 . 0 0 "[ . 1 . 2]" 1
778 1 33 GLY HA3 1 43 VAL HA . . 4.200 2.871 2.720 2.997 . 0 0 "[ . 1 . 2]" 1
779 1 33 GLY HA3 1 43 VAL QG . . 4.610 3.556 3.275 4.156 . 0 0 "[ . 1 . 2]" 1
780 1 33 GLY HA3 1 44 TYR H . . 4.910 3.930 3.701 4.164 . 0 0 "[ . 1 . 2]" 1
781 1 33 GLY HA3 1 44 TYR QE . . 4.420 3.470 2.564 3.985 . 0 0 "[ . 1 . 2]" 1
782 1 34 GLY H 1 35 ILE H . . 4.810 3.784 3.699 3.886 . 0 0 "[ . 1 . 2]" 1
783 1 34 GLY H 1 40 GLY H . . 4.580 3.108 3.030 3.193 . 0 0 "[ . 1 . 2]" 1
784 1 34 GLY H 1 40 GLY HA2 . . 4.270 2.193 1.962 2.327 . 0 0 "[ . 1 . 2]" 1
785 1 34 GLY H 1 41 PRO HA . . 4.060 3.106 3.016 3.259 . 0 0 "[ . 1 . 2]" 1
786 1 34 GLY H 1 43 VAL H . . 5.500 5.480 5.250 5.520 0.020 6 0 "[ . 1 . 2]" 1
787 1 34 GLY H 1 43 VAL QG . . 3.840 3.496 3.294 3.862 0.022 12 0 "[ . 1 . 2]" 1
788 1 34 GLY H 1 44 TYR H . . 5.500 5.817 5.598 6.063 0.563 11 3 "[ . 1+ . -*2]" 1
789 1 34 GLY HA2 1 35 ILE H . . 3.370 2.145 2.138 2.157 . 0 0 "[ . 1 . 2]" 1
790 1 34 GLY HA2 1 35 ILE MD . . 5.230 5.029 4.677 5.122 . 0 0 "[ . 1 . 2]" 1
791 1 34 GLY HA2 1 35 ILE MG . . 4.300 3.986 3.842 4.125 . 0 0 "[ . 1 . 2]" 1
792 1 34 GLY HA2 1 36 ASN H . . 4.510 3.728 3.660 3.869 . 0 0 "[ . 1 . 2]" 1
793 1 34 GLY HA2 1 43 VAL QG . . 3.710 3.334 3.112 3.515 . 0 0 "[ . 1 . 2]" 1
794 1 34 GLY HA3 1 36 ASN H . . 4.210 3.192 3.063 3.341 . 0 0 "[ . 1 . 2]" 1
795 1 34 GLY HA3 1 43 VAL QG . . 4.390 4.368 4.094 4.647 0.257 12 0 "[ . 1 . 2]" 1
796 1 34 GLY HA3 1 79 PHE H . . 4.210 2.733 2.390 3.130 . 0 0 "[ . 1 . 2]" 1
797 1 34 GLY HA3 1 79 PHE HA . . 4.270 3.248 2.998 3.515 . 0 0 "[ . 1 . 2]" 1
798 1 35 ILE H 1 35 ILE HB . . 3.990 3.633 3.624 3.640 . 0 0 "[ . 1 . 2]" 1
799 1 35 ILE H 1 35 ILE MD . . 3.630 3.541 3.253 3.630 . 0 0 "[ . 1 . 2]" 1
800 1 35 ILE H 1 35 ILE HG12 . . 3.910 2.025 1.915 2.192 . 0 0 "[ . 1 . 2]" 1
801 1 35 ILE H 1 35 ILE QG . . 3.310 2.006 1.901 2.172 . 0 0 "[ . 1 . 2]" 1
802 1 35 ILE H 1 35 ILE HG13 . . 3.910 3.270 3.095 3.539 . 0 0 "[ . 1 . 2]" 1
803 1 35 ILE H 1 35 ILE MG . . 3.240 2.275 2.115 2.457 . 0 0 "[ . 1 . 2]" 1
804 1 35 ILE H 1 36 ASN H . . 3.630 2.906 2.845 2.952 . 0 0 "[ . 1 . 2]" 1
805 1 35 ILE H 1 77 VAL H . . 4.920 4.042 3.578 4.373 . 0 0 "[ . 1 . 2]" 1
806 1 35 ILE H 1 78 SER HA . . 3.530 3.203 2.857 3.515 . 0 0 "[ . 1 . 2]" 1
807 1 35 ILE H 1 79 PHE H . . 4.600 3.758 3.611 3.904 . 0 0 "[ . 1 . 2]" 1
808 1 35 ILE HA 1 35 ILE QG . . 3.640 3.295 3.285 3.307 . 0 0 "[ . 1 . 2]" 1
809 1 35 ILE HA 1 35 ILE MG . . 3.170 2.250 2.111 2.346 . 0 0 "[ . 1 . 2]" 1
810 1 35 ILE HA 1 37 ARG H . . 4.890 4.583 4.427 4.627 . 0 0 "[ . 1 . 2]" 1
811 1 35 ILE HA 1 41 PRO HA . . 3.220 2.348 2.157 2.482 . 0 0 "[ . 1 . 2]" 1
812 1 35 ILE HA 1 41 PRO HB2 . . 4.070 3.491 3.235 3.749 . 0 0 "[ . 1 . 2]" 1
813 1 35 ILE HA 1 41 PRO HB3 . . 3.710 2.405 2.211 2.542 . 0 0 "[ . 1 . 2]" 1
814 1 35 ILE HB 1 35 ILE MD . . 3.130 2.421 2.342 2.587 . 0 0 "[ . 1 . 2]" 1
815 1 35 ILE HB 1 36 ASN H . . 4.190 3.785 3.640 3.908 . 0 0 "[ . 1 . 2]" 1
816 1 35 ILE HB 1 41 PRO HA . . 5.280 4.816 4.653 4.937 . 0 0 "[ . 1 . 2]" 1
817 1 35 ILE HB 1 41 PRO HB3 . . 4.850 4.161 3.865 4.301 . 0 0 "[ . 1 . 2]" 1
818 1 35 ILE MD 1 35 ILE MG . . 2.800 1.933 1.872 2.084 . 0 0 "[ . 1 . 2]" 1
819 1 35 ILE MD 1 36 ASN H . . 4.230 4.024 3.865 4.163 . 0 0 "[ . 1 . 2]" 1
820 1 35 ILE MD 1 36 ASN QB . . 4.480 4.095 3.850 4.378 . 0 0 "[ . 1 . 2]" 1
821 1 35 ILE MD 1 41 PRO HB3 . . 5.500 5.441 5.293 5.497 . 0 0 "[ . 1 . 2]" 1
822 1 35 ILE MD 1 76 GLY QA . . 4.780 4.231 3.624 4.512 . 0 0 "[ . 1 . 2]" 1
823 1 35 ILE MD 1 77 VAL H . . 4.770 4.297 3.618 4.570 . 0 0 "[ . 1 . 2]" 1
824 1 35 ILE MD 1 78 SER H . . 4.280 3.215 2.776 3.507 . 0 0 "[ . 1 . 2]" 1
825 1 35 ILE MD 1 78 SER HA . . 3.660 2.816 2.472 3.197 . 0 0 "[ . 1 . 2]" 1
826 1 35 ILE MD 1 78 SER QB . . 3.670 3.115 2.251 3.466 . 0 0 "[ . 1 . 2]" 1
827 1 35 ILE MD 1 81 GLU HB2 . . 5.500 5.302 4.986 5.483 . 0 0 "[ . 1 . 2]" 1
828 1 35 ILE QG 1 36 ASN QB . . 4.210 2.903 2.680 3.192 . 0 0 "[ . 1 . 2]" 1
829 1 35 ILE QG 1 77 VAL H . . 4.900 4.494 4.201 4.942 0.042 5 0 "[ . 1 . 2]" 1
830 1 35 ILE QG 1 78 SER H . . 4.620 3.839 3.393 4.164 . 0 0 "[ . 1 . 2]" 1
831 1 35 ILE QG 1 78 SER HA . . 3.460 2.013 1.953 2.194 . 0 0 "[ . 1 . 2]" 1
832 1 35 ILE QG 1 78 SER QB . . 4.280 3.617 2.714 3.932 . 0 0 "[ . 1 . 2]" 1
833 1 35 ILE QG 1 79 PHE H . . 5.340 3.395 3.085 3.707 . 0 0 "[ . 1 . 2]" 1
834 1 35 ILE HG12 1 35 ILE MG . . 3.720 2.457 2.372 2.544 . 0 0 "[ . 1 . 2]" 1
835 1 35 ILE HG12 1 36 ASN H . . 3.690 2.871 2.522 3.051 . 0 0 "[ . 1 . 2]" 1
836 1 35 ILE HG12 1 78 SER HA . . 4.080 2.042 1.996 2.213 . 0 0 "[ . 1 . 2]" 1
837 1 35 ILE HG13 1 35 ILE MG . . 3.720 3.189 3.165 3.202 . 0 0 "[ . 1 . 2]" 1
838 1 35 ILE HG13 1 36 ASN H . . 3.690 2.470 2.223 2.734 . 0 0 "[ . 1 . 2]" 1
839 1 35 ILE HG13 1 78 SER HA . . 4.080 3.068 2.769 3.601 . 0 0 "[ . 1 . 2]" 1
840 1 35 ILE MG 1 36 ASN H . . 4.210 4.108 4.003 4.161 . 0 0 "[ . 1 . 2]" 1
841 1 35 ILE MG 1 41 PRO HA . . 4.010 3.246 3.099 3.350 . 0 0 "[ . 1 . 2]" 1
842 1 35 ILE MG 1 41 PRO HB2 . . 3.780 2.749 2.534 2.918 . 0 0 "[ . 1 . 2]" 1
843 1 35 ILE MG 1 41 PRO HB3 . . 3.720 2.684 2.312 2.868 . 0 0 "[ . 1 . 2]" 1
844 1 35 ILE MG 1 76 GLY H . . 4.640 4.233 3.768 4.393 . 0 0 "[ . 1 . 2]" 1
845 1 35 ILE MG 1 76 GLY HA2 . . 3.980 2.566 2.363 2.733 . 0 0 "[ . 1 . 2]" 1
846 1 35 ILE MG 1 76 GLY QA . . 3.290 2.508 2.312 2.686 . 0 0 "[ . 1 . 2]" 1
847 1 35 ILE MG 1 76 GLY HA3 . . 3.980 3.551 3.243 3.950 . 0 0 "[ . 1 . 2]" 1
848 1 35 ILE MG 1 77 VAL H . . 3.840 3.141 2.833 3.327 . 0 0 "[ . 1 . 2]" 1
849 1 35 ILE MG 1 78 SER H . . 4.780 4.497 4.229 4.764 . 0 0 "[ . 1 . 2]" 1
850 1 35 ILE MG 1 78 SER HA . . 4.120 3.925 3.743 4.123 0.003 12 0 "[ . 1 . 2]" 1
851 1 36 ASN H 1 36 ASN HB2 . . 3.920 3.661 3.566 3.705 . 0 0 "[ . 1 . 2]" 1
852 1 36 ASN H 1 36 ASN QB . . 3.360 2.642 2.315 2.915 . 0 0 "[ . 1 . 2]" 1
853 1 36 ASN H 1 36 ASN HB3 . . 3.920 2.716 2.343 3.078 . 0 0 "[ . 1 . 2]" 1
854 1 36 ASN H 1 36 ASN QD . . 4.800 2.567 2.071 3.135 . 0 0 "[ . 1 . 2]" 1
855 1 36 ASN H 1 37 ARG H . . 3.160 2.182 2.078 2.352 . 0 0 "[ . 1 . 2]" 1
856 1 36 ASN H 1 37 ARG HB2 . . 4.740 4.214 4.110 4.376 . 0 0 "[ . 1 . 2]" 1
857 1 36 ASN H 1 78 SER HA . . 3.530 3.628 3.086 3.989 0.459 13 0 "[ . 1 . 2]" 1
858 1 36 ASN H 1 79 PHE H . . 3.950 3.492 3.285 3.686 . 0 0 "[ . 1 . 2]" 1
859 1 36 ASN QB 1 36 ASN QD . . 3.090 2.119 2.065 2.230 . 0 0 "[ . 1 . 2]" 1
860 1 36 ASN QB 1 37 ARG H . . 4.090 3.481 3.362 3.566 . 0 0 "[ . 1 . 2]" 1
861 1 36 ASN QD 1 78 SER QB . . 3.750 3.269 2.773 3.757 0.007 14 0 "[ . 1 . 2]" 1
862 1 36 ASN QD 1 79 PHE H . . 3.980 2.238 1.881 2.764 . 0 0 "[ . 1 . 2]" 1
863 1 36 ASN QD 1 80 GLU H . . 4.510 3.199 2.952 3.554 . 0 0 "[ . 1 . 2]" 1
864 1 36 ASN HD21 1 79 PHE H . . 4.620 2.825 2.292 4.197 . 0 0 "[ . 1 . 2]" 1
865 1 36 ASN HD22 1 79 PHE H . . 4.620 2.472 1.941 3.371 . 0 0 "[ . 1 . 2]" 1
866 1 37 ARG H 1 37 ARG HB2 . . 3.310 2.323 2.273 2.429 . 0 0 "[ . 1 . 2]" 1
867 1 37 ARG H 1 37 ARG HB3 . . 3.610 3.562 3.542 3.604 . 0 0 "[ . 1 . 2]" 1
868 1 37 ARG H 1 37 ARG HD2 . . 4.690 4.517 4.190 4.685 . 0 0 "[ . 1 . 2]" 1
869 1 37 ARG H 1 37 ARG HD3 . . 4.100 3.940 3.631 4.071 . 0 0 "[ . 1 . 2]" 1
870 1 37 ARG H 1 37 ARG HG2 . . 3.710 2.586 2.374 2.704 . 0 0 "[ . 1 . 2]" 1
871 1 37 ARG H 1 37 ARG HG3 . . 4.030 3.832 3.716 3.911 . 0 0 "[ . 1 . 2]" 1
872 1 37 ARG H 1 38 ASN H . . 4.790 4.583 4.543 4.606 . 0 0 "[ . 1 . 2]" 1
873 1 37 ARG HA 1 37 ARG HD3 . . 3.480 2.315 2.164 2.633 . 0 0 "[ . 1 . 2]" 1
874 1 37 ARG HB2 1 37 ARG HD2 . . 3.690 3.565 3.537 3.596 . 0 0 "[ . 1 . 2]" 1
875 1 37 ARG HB2 1 38 ASN H . . 4.760 3.548 3.342 3.686 . 0 0 "[ . 1 . 2]" 1
876 1 37 ARG HB2 1 39 GLU H . . 3.990 3.614 3.401 3.752 . 0 0 "[ . 1 . 2]" 1
877 1 37 ARG HB2 1 40 GLY H . . 3.970 3.075 3.011 3.177 . 0 0 "[ . 1 . 2]" 1
878 1 37 ARG HB3 1 37 ARG HD2 . . 3.680 2.349 2.267 2.449 . 0 0 "[ . 1 . 2]" 1
879 1 37 ARG HB3 1 37 ARG HD3 . . 4.220 3.389 3.226 3.567 . 0 0 "[ . 1 . 2]" 1
880 1 37 ARG HB3 1 38 ASN H . . 4.410 2.186 2.096 2.305 . 0 0 "[ . 1 . 2]" 1
881 1 37 ARG HB3 1 39 GLU H . . 3.580 2.523 2.429 2.663 . 0 0 "[ . 1 . 2]" 1
882 1 37 ARG HB3 1 40 GLY H . . 4.010 3.334 3.182 3.713 . 0 0 "[ . 1 . 2]" 1
883 1 37 ARG HD2 1 39 GLU H . . 5.010 4.313 4.131 4.796 . 0 0 "[ . 1 . 2]" 1
884 1 37 ARG HD3 1 38 ASN H . . 5.500 4.066 3.852 4.664 . 0 0 "[ . 1 . 2]" 1
885 1 37 ARG HD3 1 79 PHE QB . . 4.770 4.068 3.598 4.486 . 0 0 "[ . 1 . 2]" 1
886 1 37 ARG HD3 1 79 PHE QD . . 5.500 4.520 3.914 5.204 . 0 0 "[ . 1 . 2]" 1
887 1 37 ARG HG2 1 39 GLU H . . 5.500 5.494 5.428 5.512 0.012 15 0 "[ . 1 . 2]" 1
888 1 37 ARG HG2 1 40 GLY H . . 5.500 5.488 5.427 5.541 0.041 12 0 "[ . 1 . 2]" 1
889 1 37 ARG HG2 1 79 PHE H . . 4.560 4.073 3.437 4.480 . 0 0 "[ . 1 . 2]" 1
890 1 37 ARG HG2 1 79 PHE HB2 . . 4.470 2.367 2.100 2.653 . 0 0 "[ . 1 . 2]" 1
891 1 37 ARG HG2 1 79 PHE QB . . 3.800 2.270 2.055 2.579 . 0 0 "[ . 1 . 2]" 1
892 1 37 ARG HG2 1 79 PHE HB3 . . 4.470 2.936 2.609 3.579 . 0 0 "[ . 1 . 2]" 1
893 1 37 ARG HG3 1 79 PHE H . . 4.970 4.995 4.592 5.294 0.324 13 0 "[ . 1 . 2]" 1
894 1 37 ARG HG3 1 79 PHE HB2 . . 4.560 2.618 2.339 2.975 . 0 0 "[ . 1 . 2]" 1
895 1 37 ARG HG3 1 79 PHE QB . . 3.780 2.556 2.293 2.868 . 0 0 "[ . 1 . 2]" 1
896 1 37 ARG HG3 1 79 PHE HB3 . . 4.560 3.591 3.305 4.069 . 0 0 "[ . 1 . 2]" 1
897 1 37 ARG HG3 1 79 PHE QD . . 4.570 3.269 3.089 3.456 . 0 0 "[ . 1 . 2]" 1
898 1 38 ASN H 1 38 ASN QB . . 3.410 2.181 2.116 2.399 . 0 0 "[ . 1 . 2]" 1
899 1 38 ASN H 1 39 GLU H . . 3.890 2.289 2.259 2.379 . 0 0 "[ . 1 . 2]" 1
900 1 38 ASN H 1 40 GLY H . . 4.930 3.814 3.741 3.892 . 0 0 "[ . 1 . 2]" 1
901 1 38 ASN HA 1 40 GLY H . . 4.530 3.829 3.580 3.968 . 0 0 "[ . 1 . 2]" 1
902 1 38 ASN QB 1 39 GLU H . . 3.460 2.917 2.797 3.479 0.019 13 0 "[ . 1 . 2]" 1
903 1 38 ASN HB2 1 39 GLU H . . 4.090 3.202 2.905 4.125 0.035 13 0 "[ . 1 . 2]" 1
904 1 38 ASN HB2 1 40 GLY H . . 5.500 5.135 4.908 5.246 . 0 0 "[ . 1 . 2]" 1
905 1 38 ASN HB3 1 39 GLU H . . 4.090 3.421 3.167 3.748 . 0 0 "[ . 1 . 2]" 1
906 1 38 ASN HB3 1 40 GLY H . . 5.500 5.084 4.834 5.274 . 0 0 "[ . 1 . 2]" 1
907 1 39 GLU H 1 39 GLU HB2 . . 3.580 2.122 2.088 2.155 . 0 0 "[ . 1 . 2]" 1
908 1 39 GLU H 1 39 GLU QB . . 3.130 2.103 2.068 2.135 . 0 0 "[ . 1 . 2]" 1
909 1 39 GLU H 1 39 GLU HB3 . . 3.580 3.416 3.343 3.464 . 0 0 "[ . 1 . 2]" 1
910 1 39 GLU H 1 39 GLU HG2 . . 4.580 3.570 3.038 4.426 . 0 0 "[ . 1 . 2]" 1
911 1 39 GLU H 1 39 GLU QG . . 3.940 3.267 2.959 3.666 . 0 0 "[ . 1 . 2]" 1
912 1 39 GLU H 1 39 GLU HG3 . . 4.580 4.006 3.829 4.194 . 0 0 "[ . 1 . 2]" 1
913 1 39 GLU H 1 40 GLY H . . 3.290 2.522 2.467 2.561 . 0 0 "[ . 1 . 2]" 1
914 1 39 GLU H 1 40 GLY HA3 . . 4.990 4.799 4.742 4.853 . 0 0 "[ . 1 . 2]" 1
915 1 39 GLU HA 1 39 GLU HG2 . . 4.030 2.810 2.353 3.510 . 0 0 "[ . 1 . 2]" 1
916 1 39 GLU HA 1 39 GLU QG . . 3.280 2.372 2.075 2.659 . 0 0 "[ . 1 . 2]" 1
917 1 39 GLU HA 1 39 GLU HG3 . . 4.030 3.160 2.093 3.621 . 0 0 "[ . 1 . 2]" 1
918 1 39 GLU QB 1 40 GLY H . . 4.030 3.070 2.949 3.300 . 0 0 "[ . 1 . 2]" 1
919 1 40 GLY H 1 42 LEU H . . 5.500 5.335 4.999 5.508 0.008 12 0 "[ . 1 . 2]" 1
920 1 40 GLY HA2 1 42 LEU H . . 3.660 2.814 2.458 3.001 . 0 0 "[ . 1 . 2]" 1
921 1 40 GLY HA2 1 44 TYR QE . . 4.510 3.836 2.982 4.146 . 0 0 "[ . 1 . 2]" 1
922 1 40 GLY HA3 1 44 TYR QE . . 5.500 5.236 4.476 5.509 0.009 7 0 "[ . 1 . 2]" 1
923 1 41 PRO HB2 1 42 LEU QD . . 3.920 3.349 3.226 3.591 . 0 0 "[ . 1 . 2]" 1
924 1 41 PRO HD2 1 42 LEU H . . 3.900 2.705 2.659 2.833 . 0 0 "[ . 1 . 2]" 1
925 1 41 PRO HD2 1 42 LEU QD . . 4.340 2.613 2.478 2.695 . 0 0 "[ . 1 . 2]" 1
926 1 41 PRO HD2 1 42 LEU HG . . 5.500 5.450 5.252 5.523 0.023 12 0 "[ . 1 . 2]" 1
927 1 41 PRO HD3 1 42 LEU H . . 4.300 3.873 3.847 3.941 . 0 0 "[ . 1 . 2]" 1
928 1 41 PRO HD3 1 42 LEU QD . . 4.920 3.915 3.811 3.973 . 0 0 "[ . 1 . 2]" 1
929 1 41 PRO QG 1 42 LEU H . . 3.670 2.658 2.487 2.977 . 0 0 "[ . 1 . 2]" 1
930 1 41 PRO QG 1 42 LEU QD . . 3.640 1.982 1.921 2.325 . 0 0 "[ . 1 . 2]" 1
931 1 41 PRO HG2 1 42 LEU H . . 4.390 2.692 2.512 3.029 . 0 0 "[ . 1 . 2]" 1
932 1 41 PRO HG2 1 42 LEU QD . . 4.310 1.994 1.933 2.350 . 0 0 "[ . 1 . 2]" 1
933 1 41 PRO HG3 1 42 LEU H . . 4.390 4.122 3.988 4.375 . 0 0 "[ . 1 . 2]" 1
934 1 41 PRO HG3 1 42 LEU QD . . 4.310 3.438 3.349 3.676 . 0 0 "[ . 1 . 2]" 1
935 1 42 LEU H 1 42 LEU HB2 . . 3.960 2.318 2.255 2.367 . 0 0 "[ . 1 . 2]" 1
936 1 42 LEU H 1 42 LEU QB . . 3.410 2.290 2.231 2.335 . 0 0 "[ . 1 . 2]" 1
937 1 42 LEU H 1 42 LEU HB3 . . 3.960 3.556 3.537 3.568 . 0 0 "[ . 1 . 2]" 1
938 1 42 LEU H 1 42 LEU QD . . 3.360 2.003 1.879 2.081 . 0 0 "[ . 1 . 2]" 1
939 1 42 LEU H 1 42 LEU HG . . 3.860 3.982 3.875 4.073 0.213 15 0 "[ . 1 . 2]" 1
940 1 42 LEU H 1 43 VAL H . . 4.630 4.630 4.600 4.637 0.007 7 0 "[ . 1 . 2]" 1
941 1 42 LEU H 1 44 TYR QE . . 4.700 4.370 4.246 4.443 . 0 0 "[ . 1 . 2]" 1
942 1 42 LEU HA 1 42 LEU QD . . 3.050 1.910 1.873 1.993 . 0 0 "[ . 1 . 2]" 1
943 1 42 LEU HA 1 42 LEU HG . . 3.960 3.649 3.598 3.710 . 0 0 "[ . 1 . 2]" 1
944 1 42 LEU HA 1 43 VAL HB . . 5.260 4.785 4.516 5.497 0.237 6 0 "[ . 1 . 2]" 1
945 1 42 LEU HA 1 65 GLN QG . . 5.340 4.308 4.074 4.602 . 0 0 "[ . 1 . 2]" 1
946 1 42 LEU QB 1 42 LEU QD . . 2.870 1.965 1.923 2.026 . 0 0 "[ . 1 . 2]" 1
947 1 42 LEU QB 1 43 VAL H . . 3.570 2.574 2.165 2.805 . 0 0 "[ . 1 . 2]" 1
948 1 42 LEU QB 1 44 TYR QD . . 4.600 3.429 3.205 3.689 . 0 0 "[ . 1 . 2]" 1
949 1 42 LEU QB 1 44 TYR QE . . 3.690 2.048 1.874 2.397 . 0 0 "[ . 1 . 2]" 1
950 1 42 LEU QB 1 65 GLN QG . . 3.830 2.408 2.103 2.567 . 0 0 "[ . 1 . 2]" 1
951 1 42 LEU HB2 1 43 VAL H . . 4.200 3.885 3.524 4.054 . 0 0 "[ . 1 . 2]" 1
952 1 42 LEU HB2 1 44 TYR QE . . 4.480 2.352 2.194 2.633 . 0 0 "[ . 1 . 2]" 1
953 1 42 LEU HB3 1 43 VAL H . . 4.200 2.613 2.185 2.860 . 0 0 "[ . 1 . 2]" 1
954 1 42 LEU HB3 1 44 TYR QE . . 4.480 2.270 1.998 2.812 . 0 0 "[ . 1 . 2]" 1
955 1 42 LEU QD 1 43 VAL H . . 3.710 2.895 2.727 3.093 . 0 0 "[ . 1 . 2]" 1
956 1 42 LEU QD 1 44 TYR QE . . 3.880 3.515 3.360 3.665 . 0 0 "[ . 1 . 2]" 1
957 1 42 LEU QD 1 65 GLN HE21 . . 3.950 2.783 2.169 3.576 . 0 0 "[ . 1 . 2]" 1
958 1 42 LEU QD 1 65 GLN QE . . 4.880 2.358 1.790 2.926 . 0 0 "[ . 1 . 2]" 1
959 1 42 LEU QD 1 65 GLN HE22 . . 3.950 2.617 1.907 3.105 . 0 0 "[ . 1 . 2]" 1
960 1 42 LEU QD 1 76 GLY QA . . 5.340 4.045 3.444 4.338 . 0 0 "[ . 1 . 2]" 1
961 1 43 VAL H 1 43 VAL HB . . 3.650 2.814 2.509 3.827 0.177 12 0 "[ . 1 . 2]" 1
962 1 43 VAL H 1 43 VAL QG . . 3.500 2.563 2.028 2.815 . 0 0 "[ . 1 . 2]" 1
963 1 43 VAL H 1 44 TYR QE . . 5.060 4.288 4.001 4.661 . 0 0 "[ . 1 . 2]" 1
964 1 43 VAL H 1 65 GLN HG2 . . 4.800 3.299 2.880 3.947 . 0 0 "[ . 1 . 2]" 1
965 1 43 VAL H 1 65 GLN QG . . 4.190 3.141 2.767 3.626 . 0 0 "[ . 1 . 2]" 1
966 1 43 VAL H 1 65 GLN HG3 . . 4.800 4.036 3.315 4.440 . 0 0 "[ . 1 . 2]" 1
967 1 43 VAL HA 1 43 VAL MG1 . . 3.360 2.470 2.332 2.688 . 0 0 "[ . 1 . 2]" 1
968 1 43 VAL HA 1 43 VAL QG . . 2.940 2.199 2.084 2.536 . 0 0 "[ . 1 . 2]" 1
969 1 43 VAL HA 1 43 VAL MG2 . . 3.360 2.498 2.250 3.114 . 0 0 "[ . 1 . 2]" 1
970 1 43 VAL HA 1 44 TYR H . . 2.950 2.201 2.140 2.269 . 0 0 "[ . 1 . 2]" 1
971 1 43 VAL HB 1 66 LEU H . . 4.960 4.020 3.407 5.015 0.055 6 0 "[ . 1 . 2]" 1
972 1 43 VAL HB 1 66 LEU HB2 . . 4.670 3.140 2.211 4.330 . 0 0 "[ . 1 . 2]" 1
973 1 43 VAL HB 1 74 MET HB2 . . 5.050 4.268 3.115 5.800 0.750 13 1 "[ . 1 + . 2]" 1
974 1 43 VAL QG 1 44 TYR H . . 3.170 2.479 2.056 3.141 . 0 0 "[ . 1 . 2]" 1
975 1 43 VAL QG 1 44 TYR HA . . 4.380 3.328 3.096 3.705 . 0 0 "[ . 1 . 2]" 1
976 1 43 VAL QG 1 44 TYR QD . . 4.880 4.211 3.893 4.496 . 0 0 "[ . 1 . 2]" 1
977 1 43 VAL QG 1 46 HIS H . . 5.420 4.915 4.466 5.593 0.173 6 0 "[ . 1 . 2]" 1
978 1 43 VAL QG 1 66 LEU H . . 3.850 3.330 2.439 3.743 . 0 0 "[ . 1 . 2]" 1
979 1 43 VAL QG 1 66 LEU HB2 . . 3.970 2.360 1.848 2.666 . 0 0 "[ . 1 . 2]" 1
980 1 43 VAL QG 1 66 LEU HB3 . . 4.120 3.385 2.689 3.848 . 0 0 "[ . 1 . 2]" 1
981 1 43 VAL QG 1 66 LEU QD . . 3.180 2.275 1.640 2.774 . 0 0 "[ . 1 . 2]" 1
982 1 43 VAL QG 1 74 MET HB3 . . 3.810 2.524 1.806 3.028 . 0 0 "[ . 1 . 2]" 1
983 1 43 VAL QG 1 74 MET HG3 . . 4.600 3.644 2.948 4.156 . 0 0 "[ . 1 . 2]" 1
984 1 43 VAL QG 1 79 PHE QD . . 5.440 3.950 3.769 4.263 . 0 0 "[ . 1 . 2]" 1
985 1 43 VAL QG 1 82 ALA MB . . 2.880 2.222 1.797 2.639 . 0 0 "[ . 1 . 2]" 1
986 1 43 VAL MG1 1 74 MET HB2 . . 5.500 4.231 2.871 4.805 . 0 0 "[ . 1 . 2]" 1
987 1 43 VAL MG1 1 82 ALA MB . . 3.340 2.475 1.910 2.783 . 0 0 "[ . 1 . 2]" 1
988 1 43 VAL MG2 1 74 MET HB2 . . 5.500 3.945 2.553 4.911 . 0 0 "[ . 1 . 2]" 1
989 1 43 VAL MG2 1 82 ALA MB . . 3.340 2.572 1.945 3.315 . 0 0 "[ . 1 . 2]" 1
990 1 44 TYR H 1 44 TYR HB2 . . 3.670 3.197 2.987 3.376 . 0 0 "[ . 1 . 2]" 1
991 1 44 TYR H 1 44 TYR HB3 . . 4.030 3.866 3.741 3.945 . 0 0 "[ . 1 . 2]" 1
992 1 44 TYR H 1 44 TYR QD . . 3.310 2.968 2.407 3.253 . 0 0 "[ . 1 . 2]" 1
993 1 44 TYR H 1 44 TYR QE . . 5.300 4.322 4.080 4.509 . 0 0 "[ . 1 . 2]" 1
994 1 44 TYR HA 1 44 TYR QD . . 3.670 3.087 2.860 3.468 . 0 0 "[ . 1 . 2]" 1
995 1 44 TYR HA 1 45 ILE H . . 3.210 2.340 2.193 2.586 . 0 0 "[ . 1 . 2]" 1
996 1 44 TYR HA 1 45 ILE HA . . 5.050 4.318 4.304 4.352 . 0 0 "[ . 1 . 2]" 1
997 1 44 TYR HA 1 45 ILE MD . . 5.420 5.228 5.056 5.433 0.013 17 0 "[ . 1 . 2]" 1
998 1 44 TYR HA 1 45 ILE HG13 . . 4.760 3.844 3.653 4.068 . 0 0 "[ . 1 . 2]" 1
999 1 44 TYR HA 1 65 GLN HA . . 3.400 2.308 2.023 2.500 . 0 0 "[ . 1 . 2]" 1
1000 1 44 TYR HA 1 65 GLN HB2 . . 4.980 4.839 4.466 5.031 0.051 20 0 "[ . 1 . 2]" 1
1001 1 44 TYR HA 1 65 GLN QG . . 4.710 3.815 3.584 4.152 . 0 0 "[ . 1 . 2]" 1
1002 1 44 TYR HA 1 66 LEU H . . 3.600 2.499 1.889 2.967 . 0 0 "[ . 1 . 2]" 1
1003 1 44 TYR HA 1 66 LEU HB2 . . 4.640 3.672 2.859 4.111 . 0 0 "[ . 1 . 2]" 1
1004 1 44 TYR HA 1 66 LEU MD1 . . 5.500 3.427 1.948 4.584 . 0 0 "[ . 1 . 2]" 1
1005 1 44 TYR HA 1 66 LEU MD2 . . 5.500 4.379 2.747 5.291 . 0 0 "[ . 1 . 2]" 1
1006 1 44 TYR HB2 1 45 ILE H . . 3.890 3.210 2.670 3.530 . 0 0 "[ . 1 . 2]" 1
1007 1 44 TYR HB2 1 65 GLN HA . . 5.040 4.299 3.726 4.753 . 0 0 "[ . 1 . 2]" 1
1008 1 44 TYR HB3 1 45 ILE H . . 3.670 2.939 2.496 3.316 . 0 0 "[ . 1 . 2]" 1
1009 1 44 TYR HB3 1 63 GLY HA2 . . 4.980 3.573 3.155 3.935 . 0 0 "[ . 1 . 2]" 1
1010 1 44 TYR HB3 1 65 GLN H . . 5.000 4.066 3.410 4.798 . 0 0 "[ . 1 . 2]" 1
1011 1 44 TYR HB3 1 65 GLN HA . . 4.420 2.801 2.066 3.375 . 0 0 "[ . 1 . 2]" 1
1012 1 44 TYR HB3 1 65 GLN QG . . 5.180 4.146 3.850 4.294 . 0 0 "[ . 1 . 2]" 1
1013 1 44 TYR HB3 1 66 LEU H . . 4.960 4.268 3.361 4.650 . 0 0 "[ . 1 . 2]" 1
1014 1 44 TYR QD 1 45 ILE H . . 4.770 4.585 4.335 4.801 0.031 19 0 "[ . 1 . 2]" 1
1015 1 44 TYR QD 1 46 HIS HA . . 5.370 5.214 4.979 5.366 . 0 0 "[ . 1 . 2]" 1
1016 1 44 TYR QD 1 63 GLY H . . 5.500 5.482 5.324 5.511 0.011 18 0 "[ . 1 . 2]" 1
1017 1 44 TYR QD 1 63 GLY HA2 . . 5.020 4.734 4.495 4.872 . 0 0 "[ . 1 . 2]" 1
1018 1 44 TYR QD 1 65 GLN HA . . 3.610 2.155 1.988 2.663 . 0 0 "[ . 1 . 2]" 1
1019 1 44 TYR QD 1 65 GLN HB2 . . 3.830 2.886 2.368 3.324 . 0 0 "[ . 1 . 2]" 1
1020 1 44 TYR QD 1 65 GLN QG . . 4.290 2.122 1.926 2.388 . 0 0 "[ . 1 . 2]" 1
1021 1 44 TYR QD 1 66 LEU H . . 4.510 3.850 3.555 4.442 . 0 0 "[ . 1 . 2]" 1
1022 1 44 TYR QE 1 65 GLN HB2 . . 4.360 4.027 3.480 4.344 . 0 0 "[ . 1 . 2]" 1
1023 1 44 TYR QE 1 65 GLN QG . . 4.030 2.332 1.986 2.671 . 0 0 "[ . 1 . 2]" 1
1024 1 45 ILE H 1 45 ILE HB . . 3.350 2.568 2.420 2.760 . 0 0 "[ . 1 . 2]" 1
1025 1 45 ILE H 1 45 ILE MD . . 3.980 3.712 3.583 3.823 . 0 0 "[ . 1 . 2]" 1
1026 1 45 ILE H 1 45 ILE HG12 . . 3.870 3.232 2.801 3.652 . 0 0 "[ . 1 . 2]" 1
1027 1 45 ILE H 1 45 ILE HG13 . . 3.430 2.201 1.888 2.482 . 0 0 "[ . 1 . 2]" 1
1028 1 45 ILE H 1 45 ILE MG . . 3.790 3.765 3.747 3.789 . 0 0 "[ . 1 . 2]" 1
1029 1 45 ILE H 1 46 HIS H . . 4.880 4.292 4.173 4.431 . 0 0 "[ . 1 . 2]" 1
1030 1 45 ILE H 1 63 GLY H . . 4.470 3.210 2.622 3.804 . 0 0 "[ . 1 . 2]" 1
1031 1 45 ILE H 1 64 ASP H . . 4.280 3.412 3.002 3.914 . 0 0 "[ . 1 . 2]" 1
1032 1 45 ILE H 1 65 GLN HA . . 4.270 4.037 3.767 4.270 . 0 0 "[ . 1 . 2]" 1
1033 1 45 ILE H 1 66 LEU H . . 4.680 4.240 3.624 4.694 0.014 19 0 "[ . 1 . 2]" 1
1034 1 45 ILE H 1 66 LEU HB2 . . 5.500 4.959 4.090 5.618 0.118 9 0 "[ . 1 . 2]" 1
1035 1 45 ILE H 1 66 LEU HG . . 5.500 4.106 3.380 4.645 . 0 0 "[ . 1 . 2]" 1
1036 1 45 ILE HA 1 45 ILE MD . . 4.080 3.757 3.647 3.802 . 0 0 "[ . 1 . 2]" 1
1037 1 45 ILE HA 1 45 ILE HG12 . . 3.540 2.451 2.360 2.521 . 0 0 "[ . 1 . 2]" 1
1038 1 45 ILE HA 1 45 ILE HG13 . . 3.700 3.130 2.951 3.300 . 0 0 "[ . 1 . 2]" 1
1039 1 45 ILE HA 1 45 ILE MG . . 3.350 2.414 2.335 2.465 . 0 0 "[ . 1 . 2]" 1
1040 1 45 ILE HA 1 46 HIS H . . 3.140 2.179 2.142 2.204 . 0 0 "[ . 1 . 2]" 1
1041 1 45 ILE HA 1 46 HIS HA . . 4.710 4.454 4.402 4.482 . 0 0 "[ . 1 . 2]" 1
1042 1 45 ILE HA 1 46 HIS HB3 . . 4.740 4.570 4.501 4.676 . 0 0 "[ . 1 . 2]" 1
1043 1 45 ILE HA 1 47 GLU H . . 4.270 3.948 3.844 4.023 . 0 0 "[ . 1 . 2]" 1
1044 1 45 ILE HA 1 66 LEU QD . . 4.940 3.090 2.447 3.663 . 0 0 "[ . 1 . 2]" 1
1045 1 45 ILE HB 1 45 ILE MD . . 3.380 2.536 2.453 2.628 . 0 0 "[ . 1 . 2]" 1
1046 1 45 ILE HB 1 46 HIS H . . 4.600 4.414 4.266 4.458 . 0 0 "[ . 1 . 2]" 1
1047 1 45 ILE HB 1 62 PRO HA . . 3.580 2.083 1.982 2.354 . 0 0 "[ . 1 . 2]" 1
1048 1 45 ILE HB 1 63 GLY H . . 3.730 2.418 2.178 2.782 . 0 0 "[ . 1 . 2]" 1
1049 1 45 ILE HB 1 64 ASP H . . 3.590 2.845 2.579 3.032 . 0 0 "[ . 1 . 2]" 1
1050 1 45 ILE HB 1 64 ASP HB2 . . 4.350 3.732 3.155 4.118 . 0 0 "[ . 1 . 2]" 1
1051 1 45 ILE HB 1 64 ASP HB3 . . 4.850 4.542 4.066 4.721 . 0 0 "[ . 1 . 2]" 1
1052 1 45 ILE MD 1 45 ILE MG . . 2.610 1.901 1.842 1.979 . 0 0 "[ . 1 . 2]" 1
1053 1 45 ILE MD 1 46 HIS H . . 5.500 5.338 5.081 5.441 . 0 0 "[ . 1 . 2]" 1
1054 1 45 ILE MD 1 47 GLU H . . 5.500 5.448 5.197 5.506 0.006 15 0 "[ . 1 . 2]" 1
1055 1 45 ILE MD 1 60 LEU HA . . 4.650 3.873 3.545 4.242 . 0 0 "[ . 1 . 2]" 1
1056 1 45 ILE MD 1 60 LEU HB2 . . 3.920 3.450 2.972 3.865 . 0 0 "[ . 1 . 2]" 1
1057 1 45 ILE MD 1 60 LEU HB3 . . 3.710 2.299 1.997 2.645 . 0 0 "[ . 1 . 2]" 1
1058 1 45 ILE MD 1 60 LEU QD . . 3.310 2.428 2.027 3.210 . 0 0 "[ . 1 . 2]" 1
1059 1 45 ILE MD 1 61 LYS H . . 3.890 2.433 2.105 2.794 . 0 0 "[ . 1 . 2]" 1
1060 1 45 ILE MD 1 62 PRO HA . . 4.300 3.663 3.514 3.863 . 0 0 "[ . 1 . 2]" 1
1061 1 45 ILE MD 1 63 GLY H . . 4.900 4.401 4.147 4.850 . 0 0 "[ . 1 . 2]" 1
1062 1 45 ILE MD 1 64 ASP H . . 4.040 3.629 3.375 3.978 . 0 0 "[ . 1 . 2]" 1
1063 1 45 ILE MD 1 64 ASP HA . . 5.490 5.081 4.821 5.498 0.008 2 0 "[ . 1 . 2]" 1
1064 1 45 ILE MD 1 64 ASP HB2 . . 3.370 2.803 2.398 3.278 . 0 0 "[ . 1 . 2]" 1
1065 1 45 ILE MD 1 64 ASP HB3 . . 3.700 3.107 2.664 3.671 . 0 0 "[ . 1 . 2]" 1
1066 1 45 ILE MD 1 66 LEU HG . . 4.600 3.797 3.133 4.532 . 0 0 "[ . 1 . 2]" 1
1067 1 45 ILE MD 1 101 PHE QD . . 5.150 4.557 4.193 4.853 . 0 0 "[ . 1 . 2]" 1
1068 1 45 ILE HG12 1 45 ILE MG . . 3.500 2.403 2.324 2.544 . 0 0 "[ . 1 . 2]" 1
1069 1 45 ILE HG12 1 46 HIS H . . 5.500 4.578 4.431 4.663 . 0 0 "[ . 1 . 2]" 1
1070 1 45 ILE HG12 1 47 GLU H . . 5.500 5.608 5.399 5.790 0.290 14 0 "[ . 1 . 2]" 1
1071 1 45 ILE HG12 1 66 LEU QD . . 3.560 2.321 1.792 2.832 . 0 0 "[ . 1 . 2]" 1
1072 1 45 ILE HG13 1 45 ILE MG . . 3.450 3.185 3.172 3.195 . 0 0 "[ . 1 . 2]" 1
1073 1 45 ILE HG13 1 64 ASP H . . 4.410 3.720 3.436 4.147 . 0 0 "[ . 1 . 2]" 1
1074 1 45 ILE HG13 1 64 ASP HB2 . . 4.800 3.601 2.882 4.192 . 0 0 "[ . 1 . 2]" 1
1075 1 45 ILE HG13 1 66 LEU MD1 . . 4.190 2.915 1.846 3.897 . 0 0 "[ . 1 . 2]" 1
1076 1 45 ILE HG13 1 66 LEU MD2 . . 4.190 3.541 3.041 3.797 . 0 0 "[ . 1 . 2]" 1
1077 1 45 ILE MG 1 46 HIS H . . 3.460 3.050 2.789 3.208 . 0 0 "[ . 1 . 2]" 1
1078 1 45 ILE MG 1 46 HIS HA . . 4.490 4.268 4.079 4.387 . 0 0 "[ . 1 . 2]" 1
1079 1 45 ILE MG 1 46 HIS HB3 . . 4.370 4.236 4.132 4.354 . 0 0 "[ . 1 . 2]" 1
1080 1 45 ILE MG 1 47 GLU H . . 3.320 2.495 2.402 2.586 . 0 0 "[ . 1 . 2]" 1
1081 1 45 ILE MG 1 47 GLU HA . . 3.940 3.123 3.004 3.337 . 0 0 "[ . 1 . 2]" 1
1082 1 45 ILE MG 1 47 GLU HB2 . . 5.500 4.878 4.800 5.024 . 0 0 "[ . 1 . 2]" 1
1083 1 45 ILE MG 1 47 GLU QB . . 4.680 4.358 4.299 4.426 . 0 0 "[ . 1 . 2]" 1
1084 1 45 ILE MG 1 47 GLU HB3 . . 5.500 4.908 4.816 5.001 . 0 0 "[ . 1 . 2]" 1
1085 1 45 ILE MG 1 47 GLU QG . . 5.100 4.775 4.582 4.953 . 0 0 "[ . 1 . 2]" 1
1086 1 45 ILE MG 1 48 VAL HA . . 4.510 3.631 3.449 3.718 . 0 0 "[ . 1 . 2]" 1
1087 1 45 ILE MG 1 61 LYS H . . 5.080 3.977 3.601 4.435 . 0 0 "[ . 1 . 2]" 1
1088 1 45 ILE MG 1 62 PRO HA . . 3.160 2.142 1.962 2.411 . 0 0 "[ . 1 . 2]" 1
1089 1 45 ILE MG 1 62 PRO HB2 . . 4.130 4.137 3.988 4.373 0.243 14 0 "[ . 1 . 2]" 1
1090 1 45 ILE MG 1 62 PRO HB3 . . 4.590 3.051 2.884 3.305 . 0 0 "[ . 1 . 2]" 1
1091 1 45 ILE MG 1 62 PRO HD2 . . 5.120 4.581 4.416 4.797 . 0 0 "[ . 1 . 2]" 1
1092 1 45 ILE MG 1 62 PRO HG2 . . 5.430 4.982 4.809 5.203 . 0 0 "[ . 1 . 2]" 1
1093 1 45 ILE MG 1 63 GLY H . . 3.780 3.570 3.351 3.761 . 0 0 "[ . 1 . 2]" 1
1094 1 45 ILE MG 1 64 ASP H . . 4.630 4.281 4.067 4.395 . 0 0 "[ . 1 . 2]" 1
1095 1 45 ILE MG 1 64 ASP HB2 . . 5.020 4.702 4.234 5.018 . 0 0 "[ . 1 . 2]" 1
1096 1 45 ILE MG 1 64 ASP HB3 . . 5.500 5.394 4.976 5.518 0.018 2 0 "[ . 1 . 2]" 1
1097 1 46 HIS H 1 46 HIS HB2 . . 3.720 2.517 2.378 2.677 . 0 0 "[ . 1 . 2]" 1
1098 1 46 HIS H 1 46 HIS HB3 . . 3.600 2.552 2.419 2.716 . 0 0 "[ . 1 . 2]" 1
1099 1 46 HIS H 1 47 GLU H . . 3.070 2.840 2.638 2.997 . 0 0 "[ . 1 . 2]" 1
1100 1 46 HIS HA 1 62 PRO HB2 . . 5.150 4.938 4.741 5.145 . 0 0 "[ . 1 . 2]" 1
1101 1 46 HIS HA 1 63 GLY H . . 4.880 4.559 4.222 4.879 . 0 0 "[ . 1 . 2]" 1
1102 1 46 HIS HB2 1 47 GLU H . . 4.050 3.779 3.691 3.875 . 0 0 "[ . 1 . 2]" 1
1103 1 46 HIS HB3 1 47 GLU H . . 3.430 2.399 2.313 2.517 . 0 0 "[ . 1 . 2]" 1
1104 1 47 GLU H 1 47 GLU HG2 . . 5.480 4.928 4.516 5.195 . 0 0 "[ . 1 . 2]" 1
1105 1 47 GLU H 1 47 GLU QG . . 4.740 4.188 4.114 4.233 . 0 0 "[ . 1 . 2]" 1
1106 1 47 GLU H 1 47 GLU HG3 . . 5.480 4.579 4.411 4.867 . 0 0 "[ . 1 . 2]" 1
1107 1 47 GLU H 1 48 VAL H . . 4.460 4.039 3.883 4.227 . 0 0 "[ . 1 . 2]" 1
1108 1 47 GLU HA 1 47 GLU QG . . 3.730 2.702 2.393 2.934 . 0 0 "[ . 1 . 2]" 1
1109 1 47 GLU HA 1 48 VAL H . . 2.780 2.176 2.141 2.249 . 0 0 "[ . 1 . 2]" 1
1110 1 47 GLU HA 1 48 VAL HB . . 4.820 4.736 4.693 4.786 . 0 0 "[ . 1 . 2]" 1
1111 1 47 GLU HA 1 48 VAL QG . . 4.110 3.532 3.445 3.612 . 0 0 "[ . 1 . 2]" 1
1112 1 47 GLU HA 1 62 PRO HB2 . . 4.830 3.550 3.400 3.633 . 0 0 "[ . 1 . 2]" 1
1113 1 47 GLU HA 1 62 PRO HG2 . . 4.830 4.748 4.635 4.873 0.043 1 0 "[ . 1 . 2]" 1
1114 1 47 GLU HA 1 62 PRO HG3 . . 4.000 3.497 3.314 3.729 . 0 0 "[ . 1 . 2]" 1
1115 1 47 GLU QB 1 48 VAL H . . 3.920 3.692 3.528 3.796 . 0 0 "[ . 1 . 2]" 1
1116 1 47 GLU HB2 1 48 VAL H . . 4.590 4.111 3.958 4.221 . 0 0 "[ . 1 . 2]" 1
1117 1 47 GLU HB3 1 48 VAL H . . 4.590 4.181 3.929 4.344 . 0 0 "[ . 1 . 2]" 1
1118 1 47 GLU QG 1 48 VAL H . . 3.690 2.618 2.089 2.888 . 0 0 "[ . 1 . 2]" 1
1119 1 47 GLU QG 1 49 ILE HA . . 4.250 3.517 3.264 3.710 . 0 0 "[ . 1 . 2]" 1
1120 1 48 VAL H 1 48 VAL HB . . 3.220 2.724 2.503 2.889 . 0 0 "[ . 1 . 2]" 1
1121 1 48 VAL H 1 48 VAL MG1 . . 3.940 2.687 1.889 3.791 . 0 0 "[ . 1 . 2]" 1
1122 1 48 VAL H 1 48 VAL QG . . 3.120 2.071 1.884 2.357 . 0 0 "[ . 1 . 2]" 1
1123 1 48 VAL H 1 48 VAL MG2 . . 3.940 3.152 2.156 3.751 . 0 0 "[ . 1 . 2]" 1
1124 1 48 VAL H 1 49 ILE H . . 4.700 4.214 4.110 4.369 . 0 0 "[ . 1 . 2]" 1
1125 1 48 VAL H 1 62 PRO HB3 . . 3.950 3.224 3.047 3.357 . 0 0 "[ . 1 . 2]" 1
1126 1 48 VAL H 1 62 PRO HD3 . . 4.970 3.273 3.158 3.517 . 0 0 "[ . 1 . 2]" 1
1127 1 48 VAL H 1 62 PRO HG2 . . 5.500 5.262 5.199 5.285 . 0 0 "[ . 1 . 2]" 1
1128 1 48 VAL H 1 62 PRO HG3 . . 4.300 3.756 3.624 3.839 . 0 0 "[ . 1 . 2]" 1
1129 1 48 VAL HA 1 48 VAL MG1 . . 3.360 2.868 2.326 3.187 . 0 0 "[ . 1 . 2]" 1
1130 1 48 VAL HA 1 48 VAL MG2 . . 3.360 2.411 2.309 2.488 . 0 0 "[ . 1 . 2]" 1
1131 1 48 VAL HA 1 49 ILE H . . 3.000 2.206 2.153 2.239 . 0 0 "[ . 1 . 2]" 1
1132 1 48 VAL HA 1 49 ILE HG13 . . 3.960 3.935 3.754 4.024 0.064 10 0 "[ . 1 . 2]" 1
1133 1 48 VAL HB 1 49 ILE H . . 4.720 4.417 4.303 4.468 . 0 0 "[ . 1 . 2]" 1
1134 1 48 VAL HB 1 55 TYR QD . . 4.360 3.959 3.245 4.400 0.040 11 0 "[ . 1 . 2]" 1
1135 1 48 VAL QG 1 49 ILE H . . 3.530 3.071 2.808 3.257 . 0 0 "[ . 1 . 2]" 1
1136 1 48 VAL QG 1 50 PRO HA . . 4.970 3.936 3.710 4.119 . 0 0 "[ . 1 . 2]" 1
1137 1 48 VAL QG 1 52 GLY H . . 4.510 4.057 3.747 4.508 . 0 0 "[ . 1 . 2]" 1
1138 1 48 VAL QG 1 54 CYS H . . 4.850 4.161 3.671 4.731 . 0 0 "[ . 1 . 2]" 1
1139 1 48 VAL QG 1 54 CYS HB2 . . 3.540 2.716 2.144 3.426 . 0 0 "[ . 1 . 2]" 1
1140 1 48 VAL QG 1 54 CYS HB3 . . 3.980 3.183 2.599 3.524 . 0 0 "[ . 1 . 2]" 1
1141 1 48 VAL QG 1 55 TYR H . . 3.480 2.572 2.062 3.190 . 0 0 "[ . 1 . 2]" 1
1142 1 48 VAL QG 1 55 TYR HA . . 3.080 1.916 1.869 1.993 . 0 0 "[ . 1 . 2]" 1
1143 1 48 VAL QG 1 55 TYR QB . . 3.180 2.109 1.854 2.587 . 0 0 "[ . 1 . 2]" 1
1144 1 48 VAL QG 1 55 TYR QD . . 3.310 1.941 1.840 2.168 . 0 0 "[ . 1 . 2]" 1
1145 1 48 VAL QG 1 55 TYR QE . . 4.480 3.481 3.173 3.971 . 0 0 "[ . 1 . 2]" 1
1146 1 48 VAL QG 1 56 LYS H . . 5.340 4.398 4.114 4.700 . 0 0 "[ . 1 . 2]" 1
1147 1 48 VAL QG 1 58 GLY H . . 5.440 4.456 4.271 4.670 . 0 0 "[ . 1 . 2]" 1
1148 1 48 VAL QG 1 61 LYS H . . 5.440 4.475 3.573 5.028 . 0 0 "[ . 1 . 2]" 1
1149 1 48 VAL QG 1 61 LYS QG . . 4.430 3.425 3.131 3.793 . 0 0 "[ . 1 . 2]" 1
1150 1 48 VAL QG 1 62 PRO HD2 . . 4.030 3.581 3.418 3.768 . 0 0 "[ . 1 . 2]" 1
1151 1 48 VAL QG 1 62 PRO HD3 . . 3.580 2.138 1.975 2.296 . 0 0 "[ . 1 . 2]" 1
1152 1 48 VAL QG 1 62 PRO HG2 . . 5.090 4.610 4.469 4.687 . 0 0 "[ . 1 . 2]" 1
1153 1 48 VAL QG 1 62 PRO HG3 . . 3.950 3.609 3.513 3.704 . 0 0 "[ . 1 . 2]" 1
1154 1 48 VAL MG1 1 49 ILE H . . 4.540 3.803 2.946 4.263 . 0 0 "[ . 1 . 2]" 1
1155 1 48 VAL MG1 1 54 CYS HB2 . . 4.950 4.135 3.174 4.674 . 0 0 "[ . 1 . 2]" 1
1156 1 48 VAL MG1 1 54 CYS HB3 . . 5.060 4.226 3.387 4.772 . 0 0 "[ . 1 . 2]" 1
1157 1 48 VAL MG1 1 55 TYR QD . . 4.810 2.227 1.970 2.422 . 0 0 "[ . 1 . 2]" 1
1158 1 48 VAL MG2 1 49 ILE H . . 4.540 3.585 2.850 4.269 . 0 0 "[ . 1 . 2]" 1
1159 1 48 VAL MG2 1 54 CYS HB2 . . 4.950 3.214 2.148 4.615 . 0 0 "[ . 1 . 2]" 1
1160 1 48 VAL MG2 1 54 CYS HB3 . . 5.060 3.562 2.617 4.419 . 0 0 "[ . 1 . 2]" 1
1161 1 48 VAL MG2 1 55 TYR QD . . 4.810 2.928 1.951 4.492 . 0 0 "[ . 1 . 2]" 1
1162 1 49 ILE H 1 49 ILE HB . . 3.230 2.644 2.539 2.719 . 0 0 "[ . 1 . 2]" 1
1163 1 49 ILE H 1 49 ILE MD . . 3.980 3.230 2.885 3.490 . 0 0 "[ . 1 . 2]" 1
1164 1 49 ILE H 1 49 ILE HG12 . . 3.930 3.416 3.235 3.575 . 0 0 "[ . 1 . 2]" 1
1165 1 49 ILE H 1 49 ILE HG13 . . 3.300 1.942 1.888 2.092 . 0 0 "[ . 1 . 2]" 1
1166 1 49 ILE H 1 49 ILE MG . . 4.030 3.770 3.763 3.785 . 0 0 "[ . 1 . 2]" 1
1167 1 49 ILE HA 1 49 ILE MD . . 4.060 3.877 3.842 3.893 . 0 0 "[ . 1 . 2]" 1
1168 1 49 ILE HA 1 49 ILE HG12 . . 3.800 2.744 2.557 2.983 . 0 0 "[ . 1 . 2]" 1
1169 1 49 ILE HA 1 49 ILE HG13 . . 4.070 2.794 2.638 3.050 . 0 0 "[ . 1 . 2]" 1
1170 1 49 ILE HA 1 49 ILE MG . . 3.010 2.425 2.325 2.466 . 0 0 "[ . 1 . 2]" 1
1171 1 49 ILE HA 1 50 PRO QD . . 3.170 1.928 1.886 1.968 . 0 0 "[ . 1 . 2]" 1
1172 1 49 ILE HA 1 50 PRO QG . . 4.610 3.829 3.788 3.868 . 0 0 "[ . 1 . 2]" 1
1173 1 49 ILE HB 1 49 ILE MD . . 3.540 2.220 2.101 2.418 . 0 0 "[ . 1 . 2]" 1
1174 1 49 ILE HB 1 52 GLY H . . 4.520 4.727 4.292 5.073 0.553 2 1 "[ + . 1 . 2]" 1
1175 1 49 ILE MD 1 49 ILE MG . . 2.720 2.368 2.057 2.595 . 0 0 "[ . 1 . 2]" 1
1176 1 49 ILE HG13 1 49 ILE MG . . 3.450 3.151 3.082 3.189 . 0 0 "[ . 1 . 2]" 1
1177 1 49 ILE MG 1 50 PRO HA . . 5.350 4.033 3.949 4.210 . 0 0 "[ . 1 . 2]" 1
1178 1 49 ILE MG 1 50 PRO HD2 . . 3.670 1.959 1.816 2.193 . 0 0 "[ . 1 . 2]" 1
1179 1 49 ILE MG 1 50 PRO QD . . 3.070 1.945 1.805 2.171 . 0 0 "[ . 1 . 2]" 1
1180 1 49 ILE MG 1 50 PRO HD3 . . 3.670 3.293 3.147 3.479 . 0 0 "[ . 1 . 2]" 1
1181 1 49 ILE MG 1 50 PRO QG . . 4.620 3.011 2.857 3.246 . 0 0 "[ . 1 . 2]" 1
1182 1 49 ILE MG 1 51 GLY H . . 4.890 4.236 3.864 4.444 . 0 0 "[ . 1 . 2]" 1
1183 1 49 ILE MG 1 52 GLY H . . 4.760 4.452 4.094 4.823 0.063 2 0 "[ . 1 . 2]" 1
1184 1 50 PRO HA 1 51 GLY H . . 3.220 2.215 2.169 2.327 . 0 0 "[ . 1 . 2]" 1
1185 1 50 PRO HA 1 51 GLY HA2 . . 4.570 4.347 4.324 4.371 . 0 0 "[ . 1 . 2]" 1
1186 1 50 PRO HA 1 51 GLY HA3 . . 5.310 4.416 4.394 4.466 . 0 0 "[ . 1 . 2]" 1
1187 1 50 PRO HA 1 52 GLY H . . 4.040 3.798 3.638 4.040 0.000 12 0 "[ . 1 . 2]" 1
1188 1 50 PRO HA 1 55 TYR HB2 . . 4.340 3.531 3.343 3.690 . 0 0 "[ . 1 . 2]" 1
1189 1 50 PRO HA 1 55 TYR HB3 . . 4.340 4.048 3.769 4.284 . 0 0 "[ . 1 . 2]" 1
1190 1 50 PRO HA 1 55 TYR QD . . 3.740 2.850 2.609 2.990 . 0 0 "[ . 1 . 2]" 1
1191 1 50 PRO HA 1 55 TYR QE . . 4.270 2.953 2.712 3.124 . 0 0 "[ . 1 . 2]" 1
1192 1 50 PRO QB 1 51 GLY H . . 4.070 3.673 3.546 3.840 . 0 0 "[ . 1 . 2]" 1
1193 1 50 PRO QB 1 55 TYR QD . . 4.190 3.966 3.827 4.073 . 0 0 "[ . 1 . 2]" 1
1194 1 50 PRO QB 1 55 TYR QE . . 3.610 2.919 2.757 3.049 . 0 0 "[ . 1 . 2]" 1
1195 1 50 PRO QD 1 55 TYR QE . . 4.800 4.220 3.958 4.471 . 0 0 "[ . 1 . 2]" 1
1196 1 50 PRO QG 1 51 GLY H . . 3.950 4.753 4.719 4.757 0.807 8 20 [*******+***-********] 1
1197 1 50 PRO QG 1 55 TYR QE . . 4.560 4.547 4.467 4.649 0.089 6 0 "[ . 1 . 2]" 1
1198 1 51 GLY H 1 52 GLY H . . 3.570 1.879 1.802 2.068 . 0 0 "[ . 1 . 2]" 1
1199 1 51 GLY H 1 55 TYR HB2 . . 4.970 2.975 2.680 3.215 . 0 0 "[ . 1 . 2]" 1
1200 1 51 GLY H 1 55 TYR QB . . 4.110 2.530 2.362 2.723 . 0 0 "[ . 1 . 2]" 1
1201 1 51 GLY H 1 55 TYR HB3 . . 4.970 2.757 2.518 2.949 . 0 0 "[ . 1 . 2]" 1
1202 1 51 GLY H 1 55 TYR QD . . 4.290 2.793 2.214 3.110 . 0 0 "[ . 1 . 2]" 1
1203 1 52 GLY H 1 53 ASP H . . 4.540 4.345 4.188 4.471 . 0 0 "[ . 1 . 2]" 1
1204 1 52 GLY H 1 55 TYR H . . 4.360 3.837 3.588 3.981 . 0 0 "[ . 1 . 2]" 1
1205 1 52 GLY H 1 55 TYR HB2 . . 4.720 2.609 2.311 2.764 . 0 0 "[ . 1 . 2]" 1
1206 1 52 GLY H 1 55 TYR HB3 . . 4.720 2.277 2.001 2.695 . 0 0 "[ . 1 . 2]" 1
1207 1 52 GLY H 1 55 TYR QD . . 4.250 3.493 3.143 3.844 . 0 0 "[ . 1 . 2]" 1
1208 1 52 GLY H 1 56 LYS H . . 5.030 4.183 3.684 4.456 . 0 0 "[ . 1 . 2]" 1
1209 1 52 GLY H 1 56 LYS QE . . 3.770 3.378 2.985 3.908 0.138 11 0 "[ . 1 . 2]" 1
1210 1 52 GLY QA 1 53 ASP H . . 2.880 2.249 2.196 2.282 . 0 0 "[ . 1 . 2]" 1
1211 1 52 GLY QA 1 54 CYS H . . 4.490 3.817 3.590 4.033 . 0 0 "[ . 1 . 2]" 1
1212 1 52 GLY HA2 1 53 ASP H . . 3.320 2.742 2.562 2.904 . 0 0 "[ . 1 . 2]" 1
1213 1 52 GLY HA3 1 53 ASP H . . 3.320 2.399 2.273 2.561 . 0 0 "[ . 1 . 2]" 1
1214 1 53 ASP H 1 53 ASP HB2 . . 3.690 2.451 2.136 3.602 . 0 0 "[ . 1 . 2]" 1
1215 1 53 ASP H 1 53 ASP QB . . 3.150 2.244 2.116 2.534 . 0 0 "[ . 1 . 2]" 1
1216 1 53 ASP H 1 53 ASP HB3 . . 3.690 3.349 2.362 3.606 . 0 0 "[ . 1 . 2]" 1
1217 1 53 ASP H 1 54 CYS H . . 3.410 2.597 2.475 2.733 . 0 0 "[ . 1 . 2]" 1
1218 1 53 ASP H 1 55 TYR H . . 4.810 3.875 3.546 4.153 . 0 0 "[ . 1 . 2]" 1
1219 1 53 ASP HA 1 56 LYS H . . 4.030 4.121 3.957 4.377 0.347 9 0 "[ . 1 . 2]" 1
1220 1 53 ASP HA 1 56 LYS HB2 . . 4.220 3.798 3.477 4.094 . 0 0 "[ . 1 . 2]" 1
1221 1 53 ASP HA 1 56 LYS QD . . 4.600 3.519 2.938 4.596 . 0 0 "[ . 1 . 2]" 1
1222 1 53 ASP HA 1 57 ASP H . . 4.880 4.841 4.515 5.097 0.217 20 0 "[ . 1 . 2]" 1
1223 1 53 ASP QB 1 54 CYS H . . 3.320 2.533 2.182 3.283 . 0 0 "[ . 1 . 2]" 1
1224 1 53 ASP QB 1 97 TRP HD1 . . 3.720 2.575 2.114 2.978 . 0 0 "[ . 1 . 2]" 1
1225 1 53 ASP QB 1 97 TRP HE1 . . 3.810 3.230 2.709 3.528 . 0 0 "[ . 1 . 2]" 1
1226 1 53 ASP HB2 1 54 CYS H . . 3.900 2.709 2.207 3.844 . 0 0 "[ . 1 . 2]" 1
1227 1 53 ASP HB2 1 97 TRP HD1 . . 4.390 3.127 2.226 3.574 . 0 0 "[ . 1 . 2]" 1
1228 1 53 ASP HB2 1 97 TRP HE1 . . 4.580 3.573 3.223 3.891 . 0 0 "[ . 1 . 2]" 1
1229 1 53 ASP HB3 1 54 CYS H . . 3.900 3.158 2.865 3.603 . 0 0 "[ . 1 . 2]" 1
1230 1 53 ASP HB3 1 97 TRP HD1 . . 4.390 2.799 2.394 3.187 . 0 0 "[ . 1 . 2]" 1
1231 1 53 ASP HB3 1 97 TRP HE1 . . 4.580 3.793 2.781 4.080 . 0 0 "[ . 1 . 2]" 1
1232 1 54 CYS H 1 54 CYS HB2 . . 3.310 2.419 2.259 2.528 . 0 0 "[ . 1 . 2]" 1
1233 1 54 CYS H 1 54 CYS HG . . 3.250 2.596 2.326 3.008 . 0 0 "[ . 1 . 2]" 1
1234 1 54 CYS H 1 55 TYR H . . 3.430 2.680 2.512 2.886 . 0 0 "[ . 1 . 2]" 1
1235 1 54 CYS H 1 55 TYR QB . . 5.270 4.369 4.199 4.518 . 0 0 "[ . 1 . 2]" 1
1236 1 54 CYS H 1 57 ASP QB . . 5.340 4.615 4.311 4.885 . 0 0 "[ . 1 . 2]" 1
1237 1 54 CYS HA 1 57 ASP H . . 4.010 3.208 2.977 3.454 . 0 0 "[ . 1 . 2]" 1
1238 1 54 CYS HA 1 57 ASP HB2 . . 3.940 2.390 2.099 2.875 . 0 0 "[ . 1 . 2]" 1
1239 1 54 CYS HA 1 57 ASP QB . . 3.360 2.284 2.069 2.566 . 0 0 "[ . 1 . 2]" 1
1240 1 54 CYS HA 1 57 ASP HB3 . . 3.940 2.973 2.674 3.161 . 0 0 "[ . 1 . 2]" 1
1241 1 54 CYS HA 1 58 GLY H . . 4.470 3.880 3.606 4.180 . 0 0 "[ . 1 . 2]" 1
1242 1 54 CYS HA 1 60 LEU QD . . 4.180 3.744 3.292 4.151 . 0 0 "[ . 1 . 2]" 1
1243 1 54 CYS HB2 1 55 TYR H . . 3.900 2.612 2.448 2.904 . 0 0 "[ . 1 . 2]" 1
1244 1 54 CYS HB2 1 60 LEU QD . . 4.330 4.000 3.172 4.707 0.377 16 0 "[ . 1 . 2]" 1
1245 1 54 CYS HB3 1 55 TYR H . . 4.230 3.543 3.282 3.761 . 0 0 "[ . 1 . 2]" 1
1246 1 54 CYS HB3 1 60 LEU H . . 4.990 4.144 3.757 4.586 . 0 0 "[ . 1 . 2]" 1
1247 1 54 CYS HB3 1 60 LEU HB2 . . 4.650 2.889 2.399 3.258 . 0 0 "[ . 1 . 2]" 1
1248 1 54 CYS HB3 1 60 LEU QD . . 3.800 2.847 1.979 3.552 . 0 0 "[ . 1 . 2]" 1
1249 1 54 CYS HG 1 99 ILE MD . . 4.290 3.137 2.476 3.744 . 0 0 "[ . 1 . 2]" 1
1250 1 55 TYR H 1 55 TYR HB2 . . 3.960 2.418 2.283 2.546 . 0 0 "[ . 1 . 2]" 1
1251 1 55 TYR H 1 55 TYR HB3 . . 3.960 2.701 2.550 2.859 . 0 0 "[ . 1 . 2]" 1
1252 1 55 TYR H 1 55 TYR QD . . 4.350 4.146 4.020 4.210 . 0 0 "[ . 1 . 2]" 1
1253 1 55 TYR H 1 56 LYS H . . 3.460 3.069 2.929 3.233 . 0 0 "[ . 1 . 2]" 1
1254 1 55 TYR H 1 56 LYS HB2 . . 5.040 4.986 4.854 5.347 0.307 11 0 "[ . 1 . 2]" 1
1255 1 55 TYR H 1 57 ASP H . . 4.920 4.207 3.878 4.420 . 0 0 "[ . 1 . 2]" 1
1256 1 55 TYR HA 1 55 TYR QD . . 3.560 2.699 2.421 2.900 . 0 0 "[ . 1 . 2]" 1
1257 1 55 TYR HA 1 55 TYR QE . . 4.930 4.580 4.436 4.733 . 0 0 "[ . 1 . 2]" 1
1258 1 55 TYR HA 1 58 GLY H . . 4.460 4.051 3.716 4.302 . 0 0 "[ . 1 . 2]" 1
1259 1 55 TYR QB 1 56 LYS H . . 3.410 2.272 1.933 2.535 . 0 0 "[ . 1 . 2]" 1
1260 1 55 TYR HB2 1 56 LYS H . . 4.250 3.691 3.410 3.898 . 0 0 "[ . 1 . 2]" 1
1261 1 55 TYR HB3 1 56 LYS H . . 4.250 2.294 1.944 2.569 . 0 0 "[ . 1 . 2]" 1
1262 1 55 TYR QD 1 56 LYS H . . 3.740 3.274 3.054 3.489 . 0 0 "[ . 1 . 2]" 1
1263 1 55 TYR QD 1 56 LYS HA . . 3.860 3.419 3.110 3.814 . 0 0 "[ . 1 . 2]" 1
1264 1 55 TYR QD 1 56 LYS HB2 . . 5.260 4.587 4.347 5.223 . 0 0 "[ . 1 . 2]" 1
1265 1 55 TYR QD 1 56 LYS HB3 . . 5.500 5.255 4.919 5.473 . 0 0 "[ . 1 . 2]" 1
1266 1 55 TYR QD 1 56 LYS HE2 . . 3.890 2.665 2.096 3.412 . 0 0 "[ . 1 . 2]" 1
1267 1 55 TYR QD 1 56 LYS QE . . 3.220 2.489 1.952 3.126 . 0 0 "[ . 1 . 2]" 1
1268 1 55 TYR QD 1 56 LYS HE3 . . 3.890 3.360 2.001 4.181 0.291 9 0 "[ . 1 . 2]" 1
1269 1 55 TYR QD 1 56 LYS QG . . 4.390 2.991 2.490 3.444 . 0 0 "[ . 1 . 2]" 1
1270 1 55 TYR QE 1 56 LYS H . . 5.500 5.410 5.213 5.507 0.007 19 0 "[ . 1 . 2]" 1
1271 1 55 TYR QE 1 56 LYS QE . . 4.420 3.894 3.307 4.158 . 0 0 "[ . 1 . 2]" 1
1272 1 56 LYS H 1 56 LYS HB2 . . 2.900 2.225 2.118 2.734 . 0 0 "[ . 1 . 2]" 1
1273 1 56 LYS H 1 56 LYS QE . . 3.750 3.359 2.832 4.083 0.333 11 0 "[ . 1 . 2]" 1
1274 1 56 LYS H 1 56 LYS HG2 . . 4.380 4.172 2.249 4.391 0.011 2 0 "[ . 1 . 2]" 1
1275 1 56 LYS H 1 56 LYS QG . . 3.610 3.119 2.083 3.305 . 0 0 "[ . 1 . 2]" 1
1276 1 56 LYS H 1 56 LYS HG3 . . 4.380 3.233 2.462 3.435 . 0 0 "[ . 1 . 2]" 1
1277 1 56 LYS H 1 57 ASP H . . 3.320 2.674 2.490 2.889 . 0 0 "[ . 1 . 2]" 1
1278 1 56 LYS H 1 58 GLY H . . 4.990 4.708 4.451 4.909 . 0 0 "[ . 1 . 2]" 1
1279 1 56 LYS HA 1 56 LYS HD2 . . 5.340 4.055 3.749 4.728 . 0 0 "[ . 1 . 2]" 1
1280 1 56 LYS HA 1 56 LYS QD . . 4.520 3.776 3.513 3.981 . 0 0 "[ . 1 . 2]" 1
1281 1 56 LYS HA 1 56 LYS HD3 . . 5.340 4.607 3.623 4.706 . 0 0 "[ . 1 . 2]" 1
1282 1 56 LYS HA 1 56 LYS QE . . 4.430 3.720 3.301 4.143 . 0 0 "[ . 1 . 2]" 1
1283 1 56 LYS HA 1 56 LYS HG2 . . 3.710 3.147 2.642 3.349 . 0 0 "[ . 1 . 2]" 1
1284 1 56 LYS HA 1 56 LYS QG . . 3.210 2.149 2.064 2.592 . 0 0 "[ . 1 . 2]" 1
1285 1 56 LYS HA 1 56 LYS HG3 . . 3.710 2.240 2.091 3.744 0.034 11 0 "[ . 1 . 2]" 1
1286 1 56 LYS HB2 1 56 LYS QE . . 3.790 3.472 2.727 4.219 0.429 11 0 "[ . 1 . 2]" 1
1287 1 56 LYS HB2 1 57 ASP H . . 3.580 2.840 2.614 3.269 . 0 0 "[ . 1 . 2]" 1
1288 1 56 LYS HB2 1 57 ASP HA . . 5.380 4.645 4.013 4.888 . 0 0 "[ . 1 . 2]" 1
1289 1 56 LYS HB3 1 57 ASP H . . 4.020 3.350 3.071 3.869 . 0 0 "[ . 1 . 2]" 1
1290 1 56 LYS HB3 1 57 ASP HA . . 5.500 4.099 3.925 4.728 . 0 0 "[ . 1 . 2]" 1
1291 1 56 LYS QE 1 56 LYS QG . . 3.180 2.030 1.944 2.207 . 0 0 "[ . 1 . 2]" 1
1292 1 56 LYS QE 1 57 ASP H . . 5.340 5.470 4.941 5.912 0.572 11 1 "[ . 1+ . 2]" 1
1293 1 57 ASP H 1 57 ASP HB2 . . 3.220 2.161 2.087 2.393 . 0 0 "[ . 1 . 2]" 1
1294 1 57 ASP H 1 57 ASP HB3 . . 3.220 3.010 2.674 3.149 . 0 0 "[ . 1 . 2]" 1
1295 1 57 ASP QB 1 58 GLY H . . 3.270 2.122 1.989 2.292 . 0 0 "[ . 1 . 2]" 1
1296 1 57 ASP QB 1 59 ARG HB2 . . 4.590 3.233 3.079 3.620 . 0 0 "[ . 1 . 2]" 1
1297 1 57 ASP QB 1 60 LEU QD . . 4.970 3.668 3.135 4.412 . 0 0 "[ . 1 . 2]" 1
1298 1 57 ASP HB2 1 58 GLY H . . 3.790 3.248 3.058 3.495 . 0 0 "[ . 1 . 2]" 1
1299 1 57 ASP HB2 1 59 ARG H . . 4.470 4.255 4.081 4.437 . 0 0 "[ . 1 . 2]" 1
1300 1 57 ASP HB3 1 58 GLY H . . 3.790 2.153 2.001 2.333 . 0 0 "[ . 1 . 2]" 1
1301 1 57 ASP HB3 1 59 ARG H . . 4.470 2.644 2.391 3.034 . 0 0 "[ . 1 . 2]" 1
1302 1 58 GLY H 1 59 ARG H . . 3.670 2.849 2.604 3.072 . 0 0 "[ . 1 . 2]" 1
1303 1 58 GLY H 1 59 ARG HB2 . . 4.720 4.502 4.349 4.693 . 0 0 "[ . 1 . 2]" 1
1304 1 58 GLY H 1 60 LEU H . . 4.790 3.604 3.294 4.101 . 0 0 "[ . 1 . 2]" 1
1305 1 59 ARG H 1 59 ARG HB2 . . 3.290 2.431 2.329 2.579 . 0 0 "[ . 1 . 2]" 1
1306 1 59 ARG H 1 59 ARG HD2 . . 5.080 4.729 4.559 4.806 . 0 0 "[ . 1 . 2]" 1
1307 1 59 ARG H 1 59 ARG QD . . 4.390 4.316 4.169 4.379 . 0 0 "[ . 1 . 2]" 1
1308 1 59 ARG H 1 59 ARG HD3 . . 5.080 4.994 4.618 5.084 0.004 16 0 "[ . 1 . 2]" 1
1309 1 59 ARG H 1 59 ARG HE . . 4.710 4.292 3.879 4.864 0.154 19 0 "[ . 1 . 2]" 1
1310 1 59 ARG H 1 59 ARG QG . . 3.080 2.429 2.235 2.497 . 0 0 "[ . 1 . 2]" 1
1311 1 59 ARG H 1 60 LEU H . . 3.280 2.923 2.678 3.216 . 0 0 "[ . 1 . 2]" 1
1312 1 59 ARG HA 1 59 ARG HD2 . . 4.680 4.164 3.901 4.517 . 0 0 "[ . 1 . 2]" 1
1313 1 59 ARG HA 1 59 ARG QD . . 4.110 3.779 3.559 4.039 . 0 0 "[ . 1 . 2]" 1
1314 1 59 ARG HA 1 59 ARG HD3 . . 4.680 4.335 4.090 4.564 . 0 0 "[ . 1 . 2]" 1
1315 1 59 ARG HA 1 59 ARG HE . . 5.310 4.908 3.133 5.202 . 0 0 "[ . 1 . 2]" 1
1316 1 59 ARG HA 1 59 ARG HG2 . . 4.180 2.302 2.233 2.395 . 0 0 "[ . 1 . 2]" 1
1317 1 59 ARG HA 1 59 ARG QG . . 3.620 2.250 2.199 2.322 . 0 0 "[ . 1 . 2]" 1
1318 1 59 ARG HA 1 59 ARG HG3 . . 4.180 3.197 2.956 3.449 . 0 0 "[ . 1 . 2]" 1
1319 1 59 ARG HB2 1 59 ARG HD2 . . 4.130 2.936 2.627 3.934 . 0 0 "[ . 1 . 2]" 1
1320 1 59 ARG HB2 1 59 ARG QD . . 3.620 2.767 2.580 2.904 . 0 0 "[ . 1 . 2]" 1
1321 1 59 ARG HB2 1 59 ARG HD3 . . 4.130 3.772 2.896 3.967 . 0 0 "[ . 1 . 2]" 1
1322 1 59 ARG HB2 1 59 ARG HE . . 3.980 3.229 2.886 3.698 . 0 0 "[ . 1 . 2]" 1
1323 1 59 ARG HB2 1 60 LEU H . . 3.900 2.668 2.259 2.979 . 0 0 "[ . 1 . 2]" 1
1324 1 59 ARG HB3 1 59 ARG HD2 . . 3.610 2.260 1.996 3.535 . 0 0 "[ . 1 . 2]" 1
1325 1 59 ARG HB3 1 59 ARG HD3 . . 3.610 3.217 2.670 3.433 . 0 0 "[ . 1 . 2]" 1
1326 1 59 ARG HB3 1 59 ARG HE . . 4.190 3.719 1.890 4.215 0.025 13 0 "[ . 1 . 2]" 1
1327 1 59 ARG HB3 1 60 LEU H . . 3.910 3.445 2.890 3.772 . 0 0 "[ . 1 . 2]" 1
1328 1 59 ARG QD 1 59 ARG QH1 . . 3.470 1.956 1.878 1.996 . 0 0 "[ . 1 . 2]" 1
1329 1 60 LEU H 1 60 LEU HB2 . . 3.050 2.424 2.300 2.592 . 0 0 "[ . 1 . 2]" 1
1330 1 60 LEU H 1 60 LEU HB3 . . 3.740 3.625 3.567 3.695 . 0 0 "[ . 1 . 2]" 1
1331 1 60 LEU H 1 60 LEU QD . . 3.540 2.691 1.852 3.272 . 0 0 "[ . 1 . 2]" 1
1332 1 60 LEU H 1 60 LEU HG . . 3.400 3.194 2.441 4.179 0.779 7 7 "[ . + -* * *** 2]" 1
1333 1 60 LEU HA 1 60 LEU QD . . 3.200 2.294 1.898 2.700 . 0 0 "[ . 1 . 2]" 1
1334 1 60 LEU HA 1 60 LEU HG . . 4.210 3.096 2.592 3.774 . 0 0 "[ . 1 . 2]" 1
1335 1 60 LEU HA 1 61 LYS H . . 2.870 2.518 2.345 2.658 . 0 0 "[ . 1 . 2]" 1
1336 1 60 LEU HA 1 61 LYS HB2 . . 4.050 3.896 3.840 3.947 . 0 0 "[ . 1 . 2]" 1
1337 1 60 LEU HA 1 101 PHE HZ . . 4.510 4.263 3.709 4.519 0.009 13 0 "[ . 1 . 2]" 1
1338 1 60 LEU HB2 1 60 LEU QD . . 3.020 2.132 1.972 2.281 . 0 0 "[ . 1 . 2]" 1
1339 1 60 LEU HB2 1 61 LYS H . . 3.790 3.433 3.148 3.800 0.010 16 0 "[ . 1 . 2]" 1
1340 1 60 LEU HB3 1 61 LYS H . . 3.530 2.185 1.897 2.546 . 0 0 "[ . 1 . 2]" 1
1341 1 60 LEU QD 1 61 LYS H . . 3.770 3.134 2.777 3.440 . 0 0 "[ . 1 . 2]" 1
1342 1 60 LEU QD 1 64 ASP HB2 . . 4.480 4.116 3.848 4.401 . 0 0 "[ . 1 . 2]" 1
1343 1 60 LEU QD 1 64 ASP HB3 . . 4.190 3.863 3.546 4.158 . 0 0 "[ . 1 . 2]" 1
1344 1 60 LEU QD 1 66 LEU QD . . 3.900 3.373 2.734 3.774 . 0 0 "[ . 1 . 2]" 1
1345 1 60 LEU QD 1 99 ILE HB . . 4.060 2.801 2.184 3.217 . 0 0 "[ . 1 . 2]" 1
1346 1 60 LEU QD 1 99 ILE HG12 . . 5.500 3.327 2.639 3.976 . 0 0 "[ . 1 . 2]" 1
1347 1 60 LEU QD 1 99 ILE QG . . 4.810 2.506 1.857 3.799 . 0 0 "[ . 1 . 2]" 1
1348 1 60 LEU QD 1 99 ILE HG13 . . 5.500 2.953 1.883 4.820 . 0 0 "[ . 1 . 2]" 1
1349 1 60 LEU QD 1 99 ILE MG . . 3.070 1.808 1.631 2.166 . 0 0 "[ . 1 . 2]" 1
1350 1 60 LEU QD 1 101 PHE H . . 4.900 4.595 4.202 4.759 . 0 0 "[ . 1 . 2]" 1
1351 1 60 LEU QD 1 101 PHE HB2 . . 4.190 4.144 3.595 4.436 0.246 15 0 "[ . 1 . 2]" 1
1352 1 60 LEU QD 1 101 PHE HB3 . . 4.130 3.419 2.784 3.841 . 0 0 "[ . 1 . 2]" 1
1353 1 60 LEU QD 1 101 PHE QD . . 3.700 2.859 2.445 3.171 . 0 0 "[ . 1 . 2]" 1
1354 1 60 LEU QD 1 101 PHE QE . . 3.660 2.719 2.229 3.323 . 0 0 "[ . 1 . 2]" 1
1355 1 60 LEU QD 1 101 PHE HZ . . 4.480 3.177 2.268 3.938 . 0 0 "[ . 1 . 2]" 1
1356 1 60 LEU HG 1 101 PHE HZ . . 4.600 4.916 4.123 5.442 0.842 15 9 "[ - . * ** * *+* *]" 1
1357 1 61 LYS H 1 61 LYS HB3 . . 3.840 3.712 3.589 3.845 0.005 2 0 "[ . 1 . 2]" 1
1358 1 61 LYS H 1 61 LYS HG2 . . 5.390 4.683 4.338 5.159 . 0 0 "[ . 1 . 2]" 1
1359 1 61 LYS H 1 61 LYS QG . . 4.620 4.072 3.889 4.262 . 0 0 "[ . 1 . 2]" 1
1360 1 61 LYS H 1 61 LYS HG3 . . 5.390 4.503 4.324 4.601 . 0 0 "[ . 1 . 2]" 1
1361 1 61 LYS H 1 62 PRO HD2 . . 4.900 4.784 4.761 4.793 . 0 0 "[ . 1 . 2]" 1
1362 1 61 LYS H 1 64 ASP H . . 4.750 4.594 4.157 4.750 . 0 0 "[ . 1 . 2]" 1
1363 1 61 LYS H 1 64 ASP HB2 . . 4.380 3.362 2.923 3.608 . 0 0 "[ . 1 . 2]" 1
1364 1 61 LYS H 1 64 ASP HB3 . . 4.730 4.442 3.954 4.715 . 0 0 "[ . 1 . 2]" 1
1365 1 61 LYS HB2 1 61 LYS QE . . 4.800 3.510 2.857 4.249 . 0 0 "[ . 1 . 2]" 1
1366 1 61 LYS HB2 1 62 PRO HD2 . . 3.700 3.582 3.468 3.691 . 0 0 "[ . 1 . 2]" 1
1367 1 61 LYS HB3 1 61 LYS QG . . 2.560 2.375 2.139 2.512 . 0 0 "[ . 1 . 2]" 1
1368 1 61 LYS HB3 1 62 PRO HD2 . . 3.890 2.188 1.999 2.427 . 0 0 "[ . 1 . 2]" 1
1369 1 61 LYS HB3 1 62 PRO HD3 . . 4.110 3.595 3.438 3.789 . 0 0 "[ . 1 . 2]" 1
1370 1 61 LYS HB3 1 64 ASP H . . 5.190 4.799 4.443 5.090 . 0 0 "[ . 1 . 2]" 1
1371 1 61 LYS QD 1 62 PRO HD2 . . 4.730 2.793 2.006 3.857 . 0 0 "[ . 1 . 2]" 1
1372 1 61 LYS QD 1 62 PRO HD3 . . 4.780 3.918 3.406 4.414 . 0 0 "[ . 1 . 2]" 1
1373 1 61 LYS HD2 1 62 PRO HD2 . . 5.420 3.513 2.157 4.285 . 0 0 "[ . 1 . 2]" 1
1374 1 61 LYS HD2 1 62 PRO HD3 . . 5.500 4.762 3.898 5.122 . 0 0 "[ . 1 . 2]" 1
1375 1 61 LYS HD3 1 62 PRO HD2 . . 5.420 3.059 2.035 4.451 . 0 0 "[ . 1 . 2]" 1
1376 1 61 LYS HD3 1 62 PRO HD3 . . 5.500 4.298 3.492 5.157 . 0 0 "[ . 1 . 2]" 1
1377 1 61 LYS QE 1 61 LYS QG . . 3.170 2.025 1.936 2.387 . 0 0 "[ . 1 . 2]" 1
1378 1 61 LYS QG 1 62 PRO HD2 . . 4.310 2.177 1.917 2.552 . 0 0 "[ . 1 . 2]" 1
1379 1 61 LYS QG 1 62 PRO HD3 . . 4.020 2.857 2.631 3.192 . 0 0 "[ . 1 . 2]" 1
1380 1 62 PRO HA 1 63 GLY H . . 2.990 2.172 2.155 2.209 . 0 0 "[ . 1 . 2]" 1
1381 1 62 PRO HA 1 64 ASP H . . 3.920 3.452 3.308 3.723 . 0 0 "[ . 1 . 2]" 1
1382 1 62 PRO HB2 1 63 GLY H . . 3.950 3.458 3.216 3.802 . 0 0 "[ . 1 . 2]" 1
1383 1 62 PRO HB3 1 63 GLY H . . 4.360 3.954 3.797 4.191 . 0 0 "[ . 1 . 2]" 1
1384 1 63 GLY H 1 64 ASP H . . 3.530 2.405 2.209 2.678 . 0 0 "[ . 1 . 2]" 1
1385 1 63 GLY H 1 64 ASP HB2 . . 4.840 4.374 4.165 4.526 . 0 0 "[ . 1 . 2]" 1
1386 1 64 ASP H 1 64 ASP HB2 . . 3.270 2.140 2.083 2.243 . 0 0 "[ . 1 . 2]" 1
1387 1 64 ASP H 1 64 ASP HB3 . . 3.620 3.281 2.950 3.431 . 0 0 "[ . 1 . 2]" 1
1388 1 64 ASP H 1 65 GLN H . . 4.960 4.546 4.403 4.621 . 0 0 "[ . 1 . 2]" 1
1389 1 64 ASP HA 1 65 GLN H . . 3.170 2.195 2.141 2.313 . 0 0 "[ . 1 . 2]" 1
1390 1 64 ASP HA 1 101 PHE QD . . 5.200 4.407 3.826 4.947 . 0 0 "[ . 1 . 2]" 1
1391 1 64 ASP HB2 1 65 GLN H . . 4.820 4.376 4.135 4.582 . 0 0 "[ . 1 . 2]" 1
1392 1 64 ASP HB2 1 101 PHE QD . . 4.410 3.992 3.673 4.392 . 0 0 "[ . 1 . 2]" 1
1393 1 64 ASP HB3 1 65 GLN H . . 3.920 3.411 3.044 3.801 . 0 0 "[ . 1 . 2]" 1
1394 1 64 ASP HB3 1 101 PHE HB2 . . 4.640 3.207 2.531 3.753 . 0 0 "[ . 1 . 2]" 1
1395 1 64 ASP HB3 1 101 PHE QD . . 3.950 2.820 2.309 3.520 . 0 0 "[ . 1 . 2]" 1
1396 1 65 GLN H 1 65 GLN HB2 . . 3.360 2.315 2.225 2.354 . 0 0 "[ . 1 . 2]" 1
1397 1 65 GLN H 1 65 GLN HB3 . . 3.780 2.833 2.716 2.964 . 0 0 "[ . 1 . 2]" 1
1398 1 65 GLN H 1 65 GLN QG . . 4.240 3.890 3.806 3.923 . 0 0 "[ . 1 . 2]" 1
1399 1 65 GLN H 1 101 PHE HB2 . . 4.790 4.173 3.776 4.570 . 0 0 "[ . 1 . 2]" 1
1400 1 65 GLN H 1 102 ILE H . . 3.980 3.991 3.642 4.233 0.253 2 0 "[ . 1 . 2]" 1
1401 1 65 GLN H 1 102 ILE HB . . 4.370 4.165 3.877 4.380 0.010 19 0 "[ . 1 . 2]" 1
1402 1 65 GLN HA 1 66 LEU H . . 3.210 2.169 2.139 2.297 . 0 0 "[ . 1 . 2]" 1
1403 1 65 GLN HB2 1 66 LEU H . . 4.920 4.399 4.053 4.559 . 0 0 "[ . 1 . 2]" 1
1404 1 65 GLN HB3 1 66 LEU H . . 5.170 3.977 3.638 4.204 . 0 0 "[ . 1 . 2]" 1
1405 1 65 GLN HB3 1 102 ILE H . . 4.070 3.578 3.209 3.829 . 0 0 "[ . 1 . 2]" 1
1406 1 65 GLN HB3 1 102 ILE HB . . 3.470 3.178 2.787 3.471 0.001 10 0 "[ . 1 . 2]" 1
1407 1 65 GLN HB3 1 102 ILE MD . . 3.720 2.234 1.933 2.800 . 0 0 "[ . 1 . 2]" 1
1408 1 65 GLN HB3 1 102 ILE QG . . 5.140 4.244 3.839 4.595 . 0 0 "[ . 1 . 2]" 1
1409 1 65 GLN QE 1 67 VAL HA . . 5.340 4.007 3.471 4.503 . 0 0 "[ . 1 . 2]" 1
1410 1 65 GLN QE 1 75 ILE MD . . 3.370 2.326 1.730 3.351 . 0 0 "[ . 1 . 2]" 1
1411 1 65 GLN QE 1 102 ILE MD . . 4.070 2.855 2.163 3.304 . 0 0 "[ . 1 . 2]" 1
1412 1 65 GLN HE21 1 67 VAL MG2 . . 4.850 3.735 3.148 4.293 . 0 0 "[ . 1 . 2]" 1
1413 1 65 GLN HE21 1 75 ILE MD . . 3.930 2.633 1.989 3.646 . 0 0 "[ . 1 . 2]" 1
1414 1 65 GLN HE21 1 102 ILE MD . . 4.840 3.411 2.531 3.995 . 0 0 "[ . 1 . 2]" 1
1415 1 65 GLN HE22 1 67 VAL MG2 . . 4.850 3.941 3.350 4.264 . 0 0 "[ . 1 . 2]" 1
1416 1 65 GLN HE22 1 75 ILE MD . . 3.930 2.646 1.840 3.934 0.004 19 0 "[ . 1 . 2]" 1
1417 1 65 GLN HE22 1 102 ILE MD . . 4.840 3.071 2.349 3.523 . 0 0 "[ . 1 . 2]" 1
1418 1 65 GLN QG 1 66 LEU H . . 3.480 2.727 1.889 3.138 . 0 0 "[ . 1 . 2]" 1
1419 1 65 GLN QG 1 75 ILE MD . . 3.820 4.020 3.309 5.121 1.301 5 3 "[ - + 1 . *2]" 1
1420 1 65 GLN QG 1 102 ILE MD . . 4.220 3.627 3.034 3.993 . 0 0 "[ . 1 . 2]" 1
1421 1 66 LEU H 1 66 LEU HB2 . . 3.120 2.237 2.111 2.332 . 0 0 "[ . 1 . 2]" 1
1422 1 66 LEU H 1 66 LEU HB3 . . 3.790 3.515 3.420 3.586 . 0 0 "[ . 1 . 2]" 1
1423 1 66 LEU H 1 66 LEU MD1 . . 4.530 3.367 2.357 4.057 . 0 0 "[ . 1 . 2]" 1
1424 1 66 LEU H 1 66 LEU QD . . 3.820 3.107 2.318 3.609 . 0 0 "[ . 1 . 2]" 1
1425 1 66 LEU H 1 66 LEU MD2 . . 4.530 3.809 3.420 4.046 . 0 0 "[ . 1 . 2]" 1
1426 1 66 LEU H 1 66 LEU HG . . 4.700 3.443 2.666 4.519 . 0 0 "[ . 1 . 2]" 1
1427 1 66 LEU H 1 67 VAL H . . 5.240 4.583 4.530 4.624 . 0 0 "[ . 1 . 2]" 1
1428 1 66 LEU HA 1 66 LEU MD1 . . 4.440 3.163 1.888 3.856 . 0 0 "[ . 1 . 2]" 1
1429 1 66 LEU HA 1 66 LEU QD . . 3.030 1.985 1.883 2.203 . 0 0 "[ . 1 . 2]" 1
1430 1 66 LEU HA 1 66 LEU MD2 . . 4.440 2.653 1.956 3.830 . 0 0 "[ . 1 . 2]" 1
1431 1 66 LEU HA 1 67 VAL H . . 3.200 2.411 2.270 2.529 . 0 0 "[ . 1 . 2]" 1
1432 1 66 LEU HA 1 67 VAL HB . . 4.800 4.500 4.369 4.636 . 0 0 "[ . 1 . 2]" 1
1433 1 66 LEU HA 1 67 VAL MG2 . . 3.920 3.504 3.296 3.788 . 0 0 "[ . 1 . 2]" 1
1434 1 66 LEU HA 1 68 SER H . . 4.250 4.247 4.013 4.503 0.253 15 0 "[ . 1 . 2]" 1
1435 1 66 LEU HA 1 101 PHE HA . . 3.910 2.998 2.669 3.237 . 0 0 "[ . 1 . 2]" 1
1436 1 66 LEU HA 1 101 PHE HB2 . . 4.630 3.261 2.796 3.665 . 0 0 "[ . 1 . 2]" 1
1437 1 66 LEU HA 1 101 PHE HB3 . . 4.390 2.786 2.382 3.364 . 0 0 "[ . 1 . 2]" 1
1438 1 66 LEU HA 1 102 ILE H . . 4.740 4.450 4.224 4.637 . 0 0 "[ . 1 . 2]" 1
1439 1 66 LEU HB2 1 67 VAL H . . 5.030 3.823 3.566 4.143 . 0 0 "[ . 1 . 2]" 1
1440 1 66 LEU HB2 1 74 MET ME . . 5.040 4.173 3.746 4.522 . 0 0 "[ . 1 . 2]" 1
1441 1 66 LEU HB2 1 74 MET HG3 . . 4.390 3.900 3.564 4.304 . 0 0 "[ . 1 . 2]" 1
1442 1 66 LEU HB3 1 66 LEU MD1 . . 3.400 2.643 2.238 3.160 . 0 0 "[ . 1 . 2]" 1
1443 1 66 LEU HB3 1 66 LEU QD . . 2.970 2.205 2.036 2.498 . 0 0 "[ . 1 . 2]" 1
1444 1 66 LEU HB3 1 66 LEU MD2 . . 3.400 2.391 2.215 2.635 . 0 0 "[ . 1 . 2]" 1
1445 1 66 LEU HB3 1 67 VAL H . . 4.310 2.457 2.148 2.899 . 0 0 "[ . 1 . 2]" 1
1446 1 66 LEU HB3 1 68 SER H . . 4.620 3.579 3.229 4.098 . 0 0 "[ . 1 . 2]" 1
1447 1 66 LEU HB3 1 74 MET HB3 . . 4.270 3.709 3.121 4.430 0.160 12 0 "[ . 1 . 2]" 1
1448 1 66 LEU HB3 1 74 MET ME . . 3.840 3.647 3.347 3.855 0.015 13 0 "[ . 1 . 2]" 1
1449 1 66 LEU HB3 1 74 MET HG2 . . 4.550 4.336 3.877 4.530 . 0 0 "[ . 1 . 2]" 1
1450 1 66 LEU HB3 1 74 MET HG3 . . 4.020 2.769 2.366 2.953 . 0 0 "[ . 1 . 2]" 1
1451 1 66 LEU QD 1 67 VAL H . . 3.750 3.050 2.311 3.696 . 0 0 "[ . 1 . 2]" 1
1452 1 66 LEU QD 1 68 SER H . . 4.480 3.867 3.084 4.666 0.186 2 0 "[ . 1 . 2]" 1
1453 1 66 LEU QD 1 74 MET ME . . 2.690 2.442 1.930 2.586 . 0 0 "[ . 1 . 2]" 1
1454 1 66 LEU QD 1 74 MET HG3 . . 4.390 3.224 2.826 3.665 . 0 0 "[ . 1 . 2]" 1
1455 1 66 LEU QD 1 101 PHE HA . . 4.150 3.938 3.623 4.139 . 0 0 "[ . 1 . 2]" 1
1456 1 66 LEU QD 1 101 PHE HB2 . . 3.880 3.558 3.185 3.858 . 0 0 "[ . 1 . 2]" 1
1457 1 66 LEU QD 1 101 PHE HB3 . . 3.650 2.693 2.249 3.332 . 0 0 "[ . 1 . 2]" 1
1458 1 66 LEU QD 1 101 PHE QD . . 4.470 4.075 3.626 4.469 . 0 0 "[ . 1 . 2]" 1
1459 1 66 LEU QD 1 102 ILE H . . 5.420 4.992 4.689 5.223 . 0 0 "[ . 1 . 2]" 1
1460 1 66 LEU MD1 1 68 SER H . . 5.500 4.994 4.557 5.196 . 0 0 "[ . 1 . 2]" 1
1461 1 66 LEU MD2 1 68 SER H . . 5.500 4.120 3.136 5.434 . 0 0 "[ . 1 . 2]" 1
1462 1 66 LEU HG 1 69 ILE QG . . 5.200 4.708 3.497 5.442 0.242 15 0 "[ . 1 . 2]" 1
1463 1 67 VAL H 1 67 VAL HB . . 3.400 2.696 2.548 2.802 . 0 0 "[ . 1 . 2]" 1
1464 1 67 VAL H 1 67 VAL MG1 . . 4.190 3.843 3.758 3.902 . 0 0 "[ . 1 . 2]" 1
1465 1 67 VAL H 1 67 VAL MG2 . . 3.370 2.992 2.586 3.221 . 0 0 "[ . 1 . 2]" 1
1466 1 67 VAL H 1 68 SER H . . 3.070 1.940 1.781 2.306 . 0 0 "[ . 1 . 2]" 1
1467 1 67 VAL H 1 100 ALA H . . 4.610 4.041 3.727 4.473 . 0 0 "[ . 1 . 2]" 1
1468 1 67 VAL H 1 100 ALA MB . . 4.160 3.659 3.367 3.881 . 0 0 "[ . 1 . 2]" 1
1469 1 67 VAL H 1 101 PHE HA . . 3.590 3.390 3.045 3.594 0.004 2 0 "[ . 1 . 2]" 1
1470 1 67 VAL H 1 101 PHE HB2 . . 4.790 4.928 4.492 5.380 0.590 14 1 "[ . 1 +. 2]" 1
1471 1 67 VAL H 1 101 PHE HB3 . . 4.650 4.057 3.560 4.493 . 0 0 "[ . 1 . 2]" 1
1472 1 67 VAL HA 1 67 VAL MG1 . . 3.310 2.446 2.288 2.532 . 0 0 "[ . 1 . 2]" 1
1473 1 67 VAL HA 1 67 VAL MG2 . . 3.020 2.308 2.144 2.430 . 0 0 "[ . 1 . 2]" 1
1474 1 67 VAL HA 1 74 MET H . . 4.830 4.223 3.775 4.549 . 0 0 "[ . 1 . 2]" 1
1475 1 67 VAL HA 1 74 MET HB2 . . 4.890 3.203 2.602 3.777 . 0 0 "[ . 1 . 2]" 1
1476 1 67 VAL HA 1 74 MET HG3 . . 4.890 4.739 4.280 4.943 0.053 18 0 "[ . 1 . 2]" 1
1477 1 67 VAL HA 1 75 ILE H . . 4.220 3.898 3.477 4.222 0.002 12 0 "[ . 1 . 2]" 1
1478 1 67 VAL HA 1 75 ILE MD . . 3.370 2.307 1.854 2.852 . 0 0 "[ . 1 . 2]" 1
1479 1 67 VAL HA 1 75 ILE HG12 . . 4.520 2.948 2.361 4.429 . 0 0 "[ . 1 . 2]" 1
1480 1 67 VAL HA 1 75 ILE HG13 . . 4.520 3.886 3.463 4.402 . 0 0 "[ . 1 . 2]" 1
1481 1 67 VAL HA 1 100 ALA MB . . 4.850 4.596 4.365 4.764 . 0 0 "[ . 1 . 2]" 1
1482 1 67 VAL HB 1 68 SER H . . 3.260 2.640 2.267 2.933 . 0 0 "[ . 1 . 2]" 1
1483 1 67 VAL HB 1 100 ALA MB . . 3.320 2.049 1.891 2.266 . 0 0 "[ . 1 . 2]" 1
1484 1 67 VAL HB 1 101 PHE HA . . 4.160 3.323 2.946 3.572 . 0 0 "[ . 1 . 2]" 1
1485 1 67 VAL MG1 1 68 SER H . . 3.730 3.347 3.019 3.559 . 0 0 "[ . 1 . 2]" 1
1486 1 67 VAL MG1 1 68 SER HB2 . . 4.420 4.201 3.978 4.421 0.001 18 0 "[ . 1 . 2]" 1
1487 1 67 VAL MG1 1 68 SER HB3 . . 3.850 3.150 2.905 3.363 . 0 0 "[ . 1 . 2]" 1
1488 1 67 VAL MG1 1 73 SER HA . . 5.500 4.591 4.143 4.981 . 0 0 "[ . 1 . 2]" 1
1489 1 67 VAL MG1 1 100 ALA MB . . 3.320 2.690 2.422 2.881 . 0 0 "[ . 1 . 2]" 1
1490 1 67 VAL MG2 1 68 SER H . . 4.070 3.893 3.705 4.083 0.013 17 0 "[ . 1 . 2]" 1
1491 1 67 VAL MG2 1 101 PHE H . . 5.230 3.787 2.985 4.093 . 0 0 "[ . 1 . 2]" 1
1492 1 67 VAL MG2 1 101 PHE HA . . 3.450 2.037 1.817 2.194 . 0 0 "[ . 1 . 2]" 1
1493 1 67 VAL MG2 1 101 PHE HB2 . . 4.110 4.023 3.776 4.131 0.021 11 0 "[ . 1 . 2]" 1
1494 1 67 VAL MG2 1 101 PHE HB3 . . 4.720 4.135 3.783 4.350 . 0 0 "[ . 1 . 2]" 1
1495 1 68 SER H 1 69 ILE H . . 4.480 4.209 4.128 4.302 . 0 0 "[ . 1 . 2]" 1
1496 1 68 SER H 1 69 ILE MD . . 5.200 4.815 4.362 5.250 0.050 4 0 "[ . 1 . 2]" 1
1497 1 68 SER H 1 74 MET ME . . 5.500 4.975 4.683 5.281 . 0 0 "[ . 1 . 2]" 1
1498 1 68 SER H 1 100 ALA H . . 3.710 3.338 2.907 3.608 . 0 0 "[ . 1 . 2]" 1
1499 1 68 SER H 1 100 ALA MB . . 3.220 2.783 2.393 3.135 . 0 0 "[ . 1 . 2]" 1
1500 1 68 SER H 1 101 PHE HA . . 4.680 4.736 4.493 4.903 0.223 15 0 "[ . 1 . 2]" 1
1501 1 68 SER HA 1 69 ILE H . . 2.920 2.244 2.207 2.291 . 0 0 "[ . 1 . 2]" 1
1502 1 68 SER HA 1 69 ILE HB . . 4.920 4.497 4.376 4.638 . 0 0 "[ . 1 . 2]" 1
1503 1 68 SER HA 1 72 GLU H . . 4.670 4.330 4.159 4.404 . 0 0 "[ . 1 . 2]" 1
1504 1 68 SER HA 1 73 SER HA . . 3.940 3.395 2.820 3.714 . 0 0 "[ . 1 . 2]" 1
1505 1 68 SER HA 1 74 MET H . . 4.070 3.244 2.240 3.618 . 0 0 "[ . 1 . 2]" 1
1506 1 68 SER HA 1 74 MET HB2 . . 4.810 3.418 2.656 4.357 . 0 0 "[ . 1 . 2]" 1
1507 1 68 SER HA 1 74 MET ME . . 4.780 4.030 3.769 4.275 . 0 0 "[ . 1 . 2]" 1
1508 1 68 SER HA 1 74 MET HG2 . . 4.190 2.259 1.989 3.345 . 0 0 "[ . 1 . 2]" 1
1509 1 68 SER HA 1 74 MET HG3 . . 4.250 2.900 2.485 3.262 . 0 0 "[ . 1 . 2]" 1
1510 1 68 SER HA 1 75 ILE H . . 5.260 4.951 4.648 5.128 . 0 0 "[ . 1 . 2]" 1
1511 1 68 SER HB2 1 69 ILE H . . 3.450 2.907 2.747 3.046 . 0 0 "[ . 1 . 2]" 1
1512 1 68 SER HB2 1 71 LYS H . . 4.940 4.570 3.769 4.842 . 0 0 "[ . 1 . 2]" 1
1513 1 68 SER HB2 1 71 LYS HA . . 4.410 4.075 3.655 4.187 . 0 0 "[ . 1 . 2]" 1
1514 1 68 SER HB2 1 72 GLU H . . 4.020 3.046 2.688 3.334 . 0 0 "[ . 1 . 2]" 1
1515 1 68 SER HB2 1 73 SER HA . . 4.070 3.787 3.481 3.997 . 0 0 "[ . 1 . 2]" 1
1516 1 68 SER HB2 1 74 MET H . . 5.500 4.846 3.941 5.211 . 0 0 "[ . 1 . 2]" 1
1517 1 68 SER HB2 1 100 ALA MB . . 4.300 3.982 3.768 4.221 . 0 0 "[ . 1 . 2]" 1
1518 1 68 SER HB3 1 69 ILE H . . 3.790 3.794 3.677 3.861 0.071 20 0 "[ . 1 . 2]" 1
1519 1 68 SER HB3 1 72 GLU H . . 4.630 4.338 4.119 4.548 . 0 0 "[ . 1 . 2]" 1
1520 1 68 SER HB3 1 73 SER HA . . 3.720 2.562 2.140 2.942 . 0 0 "[ . 1 . 2]" 1
1521 1 68 SER HB3 1 74 MET H . . 4.350 3.419 2.724 3.697 . 0 0 "[ . 1 . 2]" 1
1522 1 68 SER HB3 1 100 ALA MB . . 4.580 4.242 4.033 4.335 . 0 0 "[ . 1 . 2]" 1
1523 1 69 ILE H 1 69 ILE HB . . 3.420 2.609 2.493 2.691 . 0 0 "[ . 1 . 2]" 1
1524 1 69 ILE H 1 69 ILE MD . . 4.440 4.226 4.088 4.403 . 0 0 "[ . 1 . 2]" 1
1525 1 69 ILE H 1 69 ILE HG12 . . 4.320 3.319 2.741 4.225 . 0 0 "[ . 1 . 2]" 1
1526 1 69 ILE H 1 69 ILE QG . . 3.690 2.932 2.676 3.137 . 0 0 "[ . 1 . 2]" 1
1527 1 69 ILE H 1 69 ILE HG13 . . 4.320 3.645 3.043 3.975 . 0 0 "[ . 1 . 2]" 1
1528 1 69 ILE H 1 69 ILE MG . . 3.880 3.812 3.748 3.866 . 0 0 "[ . 1 . 2]" 1
1529 1 69 ILE H 1 70 ASN H . . 4.570 4.347 4.267 4.421 . 0 0 "[ . 1 . 2]" 1
1530 1 69 ILE H 1 71 LYS H . . 4.830 4.057 3.845 4.385 . 0 0 "[ . 1 . 2]" 1
1531 1 69 ILE H 1 71 LYS HA . . 5.450 5.322 5.114 5.460 0.010 20 0 "[ . 1 . 2]" 1
1532 1 69 ILE H 1 72 GLU HA . . 5.250 5.092 4.811 5.267 0.017 10 0 "[ . 1 . 2]" 1
1533 1 69 ILE H 1 72 GLU QB . . 3.970 3.138 2.652 3.569 . 0 0 "[ . 1 . 2]" 1
1534 1 69 ILE H 1 73 SER HA . . 4.930 4.719 4.300 4.944 0.014 13 0 "[ . 1 . 2]" 1
1535 1 69 ILE H 1 74 MET ME . . 4.130 3.724 3.299 4.120 . 0 0 "[ . 1 . 2]" 1
1536 1 69 ILE H 1 74 MET HG2 . . 4.710 3.323 2.850 4.042 . 0 0 "[ . 1 . 2]" 1
1537 1 69 ILE H 1 74 MET HG3 . . 4.880 3.906 3.421 4.408 . 0 0 "[ . 1 . 2]" 1
1538 1 69 ILE H 1 85 ILE HB . . 5.500 5.360 4.986 5.511 0.011 11 0 "[ . 1 . 2]" 1
1539 1 69 ILE H 1 85 ILE MD . . 4.730 4.512 4.291 4.702 . 0 0 "[ . 1 . 2]" 1
1540 1 69 ILE H 1 85 ILE MG . . 4.410 3.613 2.800 4.005 . 0 0 "[ . 1 . 2]" 1
1541 1 69 ILE HB 1 69 ILE MD . . 3.490 2.956 2.437 3.174 . 0 0 "[ . 1 . 2]" 1
1542 1 69 ILE HB 1 70 ASN H . . 4.960 4.220 4.144 4.304 . 0 0 "[ . 1 . 2]" 1
1543 1 69 ILE HB 1 72 GLU H . . 4.750 4.578 4.339 4.735 . 0 0 "[ . 1 . 2]" 1
1544 1 69 ILE HB 1 72 GLU QB . . 4.450 3.829 3.387 4.219 . 0 0 "[ . 1 . 2]" 1
1545 1 69 ILE MD 1 69 ILE MG . . 3.040 1.854 1.792 1.961 . 0 0 "[ . 1 . 2]" 1
1546 1 69 ILE MD 1 70 ASN H . . 4.890 4.071 3.598 4.924 0.034 10 0 "[ . 1 . 2]" 1
1547 1 69 ILE MD 1 74 MET ME . . 3.070 2.938 1.791 3.554 0.484 3 0 "[ . 1 . 2]" 1
1548 1 69 ILE MD 1 74 MET HG3 . . 4.660 4.348 3.404 4.669 0.009 14 0 "[ . 1 . 2]" 1
1549 1 69 ILE MD 1 86 ILE H . . 5.500 5.173 4.091 5.528 0.028 3 0 "[ . 1 . 2]" 1
1550 1 69 ILE MD 1 86 ILE HA . . 4.580 4.267 3.634 4.593 0.013 6 0 "[ . 1 . 2]" 1
1551 1 69 ILE QG 1 69 ILE MG . . 3.240 2.462 2.254 2.561 . 0 0 "[ . 1 . 2]" 1
1552 1 69 ILE QG 1 70 ASN H . . 4.730 4.292 3.860 4.534 . 0 0 "[ . 1 . 2]" 1
1553 1 69 ILE QG 1 74 MET ME . . 3.680 2.190 1.866 2.829 . 0 0 "[ . 1 . 2]" 1
1554 1 69 ILE QG 1 74 MET HG3 . . 4.180 3.171 2.935 3.403 . 0 0 "[ . 1 . 2]" 1
1555 1 69 ILE HG12 1 70 ASN H . . 5.500 4.528 4.046 4.814 . 0 0 "[ . 1 . 2]" 1
1556 1 69 ILE HG12 1 74 MET ME . . 4.320 3.084 2.412 4.166 . 0 0 "[ . 1 . 2]" 1
1557 1 69 ILE HG12 1 74 MET HG3 . . 4.760 3.824 3.143 4.803 0.043 18 0 "[ . 1 . 2]" 1
1558 1 69 ILE HG13 1 70 ASN H . . 5.500 5.328 4.855 5.533 0.033 12 0 "[ . 1 . 2]" 1
1559 1 69 ILE HG13 1 74 MET ME . . 4.320 2.247 1.934 2.878 . 0 0 "[ . 1 . 2]" 1
1560 1 69 ILE HG13 1 74 MET HG3 . . 4.760 3.691 3.016 4.261 . 0 0 "[ . 1 . 2]" 1
1561 1 69 ILE MG 1 70 ASN H . . 3.720 2.602 2.143 2.741 . 0 0 "[ . 1 . 2]" 1
1562 1 69 ILE MG 1 70 ASN HA . . 4.860 3.731 3.431 3.830 . 0 0 "[ . 1 . 2]" 1
1563 1 69 ILE MG 1 70 ASN QB . . 3.840 2.492 2.074 3.394 . 0 0 "[ . 1 . 2]" 1
1564 1 69 ILE MG 1 70 ASN HD21 . . 4.870 3.394 2.362 4.610 . 0 0 "[ . 1 . 2]" 1
1565 1 69 ILE MG 1 70 ASN QD . . 4.200 3.118 1.706 3.936 . 0 0 "[ . 1 . 2]" 1
1566 1 69 ILE MG 1 70 ASN HD22 . . 4.870 4.031 1.750 4.905 0.035 15 0 "[ . 1 . 2]" 1
1567 1 69 ILE MG 1 72 GLU QB . . 5.100 4.563 4.215 4.800 . 0 0 "[ . 1 . 2]" 1
1568 1 69 ILE MG 1 74 MET ME . . 4.180 3.805 3.435 4.029 . 0 0 "[ . 1 . 2]" 1
1569 1 69 ILE MG 1 86 ILE HA . . 4.550 3.023 2.807 3.333 . 0 0 "[ . 1 . 2]" 1
1570 1 69 ILE MG 1 86 ILE HG12 . . 3.920 2.795 2.311 3.135 . 0 0 "[ . 1 . 2]" 1
1571 1 69 ILE MG 1 89 ALA MB . . 3.560 3.613 3.071 4.060 0.500 3 0 "[ . 1 . 2]" 1
1572 1 69 ILE MG 1 97 TRP HA . . 5.040 4.826 4.571 4.998 . 0 0 "[ . 1 . 2]" 1
1573 1 69 ILE MG 1 97 TRP HB3 . . 4.610 4.011 3.981 4.053 . 0 0 "[ . 1 . 2]" 1
1574 1 69 ILE MG 1 97 TRP HE3 . . 3.780 3.474 3.339 3.594 . 0 0 "[ . 1 . 2]" 1
1575 1 69 ILE MG 1 97 TRP HZ3 . . 4.090 3.923 3.594 4.090 . 0 0 "[ . 1 . 2]" 1
1576 1 69 ILE MG 1 98 GLU H . . 4.640 4.307 3.924 4.534 . 0 0 "[ . 1 . 2]" 1
1577 1 70 ASN H 1 70 ASN QB . . 3.700 3.156 2.950 3.485 . 0 0 "[ . 1 . 2]" 1
1578 1 70 ASN H 1 70 ASN QD . . 5.300 3.233 2.251 4.241 . 0 0 "[ . 1 . 2]" 1
1579 1 70 ASN H 1 71 LYS H . . 3.980 3.753 2.644 3.933 . 0 0 "[ . 1 . 2]" 1
1580 1 70 ASN H 1 72 GLU H . . 5.050 4.697 4.272 4.794 . 0 0 "[ . 1 . 2]" 1
1581 1 70 ASN H 1 97 TRP HA . . 5.320 4.887 4.594 5.162 . 0 0 "[ . 1 . 2]" 1
1582 1 70 ASN H 1 98 GLU H . . 3.960 3.251 2.987 3.540 . 0 0 "[ . 1 . 2]" 1
1583 1 70 ASN H 1 98 GLU HA . . 5.180 4.664 4.313 4.903 . 0 0 "[ . 1 . 2]" 1
1584 1 70 ASN H 1 98 GLU HB2 . . 4.550 4.108 3.683 4.522 . 0 0 "[ . 1 . 2]" 1
1585 1 70 ASN H 1 98 GLU QB . . 3.700 2.615 2.262 2.901 . 0 0 "[ . 1 . 2]" 1
1586 1 70 ASN H 1 98 GLU HB3 . . 4.550 2.647 2.281 2.936 . 0 0 "[ . 1 . 2]" 1
1587 1 70 ASN HA 1 98 GLU H . . 4.140 2.822 2.474 3.179 . 0 0 "[ . 1 . 2]" 1
1588 1 70 ASN HA 1 98 GLU HB2 . . 4.140 3.335 2.280 4.062 . 0 0 "[ . 1 . 2]" 1
1589 1 70 ASN HA 1 98 GLU QB . . 3.640 2.478 1.987 2.764 . 0 0 "[ . 1 . 2]" 1
1590 1 70 ASN HA 1 98 GLU HB3 . . 4.140 2.589 2.064 2.919 . 0 0 "[ . 1 . 2]" 1
1591 1 70 ASN HA 1 98 GLU QG . . 5.310 4.462 3.909 4.944 . 0 0 "[ . 1 . 2]" 1
1592 1 70 ASN QB 1 71 LYS H . . 4.090 2.067 1.901 3.718 . 0 0 "[ . 1 . 2]" 1
1593 1 70 ASN QB 1 71 LYS QB . . 5.180 3.648 3.081 4.280 . 0 0 "[ . 1 . 2]" 1
1594 1 70 ASN QB 1 71 LYS QG . . 4.700 3.298 2.575 4.336 . 0 0 "[ . 1 . 2]" 1
1595 1 70 ASN QB 1 89 ALA MB . . 4.330 3.794 2.448 4.396 0.066 7 0 "[ . 1 . 2]" 1
1596 1 70 ASN HB2 1 71 LYS H . . 4.680 2.774 1.918 4.343 . 0 0 "[ . 1 . 2]" 1
1597 1 70 ASN HB2 1 72 GLU H . . 5.310 4.421 3.638 4.970 . 0 0 "[ . 1 . 2]" 1
1598 1 70 ASN HB2 1 98 GLU H . . 5.500 5.041 4.528 5.904 0.404 9 0 "[ . 1 . 2]" 1
1599 1 70 ASN HB3 1 71 LYS H . . 4.680 2.511 1.919 4.042 . 0 0 "[ . 1 . 2]" 1
1600 1 70 ASN HB3 1 72 GLU H . . 5.310 4.391 3.719 5.319 0.009 9 0 "[ . 1 . 2]" 1
1601 1 70 ASN HB3 1 98 GLU H . . 5.500 5.311 4.179 5.868 0.368 10 0 "[ . 1 . 2]" 1
1602 1 70 ASN QD 1 89 ALA MB . . 4.160 3.561 2.738 4.088 . 0 0 "[ . 1 . 2]" 1
1603 1 70 ASN QD 1 97 TRP HA . . 4.200 3.055 2.618 3.469 . 0 0 "[ . 1 . 2]" 1
1604 1 70 ASN QD 1 97 TRP HE3 . . 3.760 1.889 1.809 2.081 . 0 0 "[ . 1 . 2]" 1
1605 1 70 ASN QD 1 98 GLU H . . 4.450 2.884 2.410 3.528 . 0 0 "[ . 1 . 2]" 1
1606 1 70 ASN HD21 1 89 ALA MB . . 4.820 4.292 3.170 4.666 . 0 0 "[ . 1 . 2]" 1
1607 1 70 ASN HD21 1 97 TRP HA . . 4.800 3.299 2.756 3.964 . 0 0 "[ . 1 . 2]" 1
1608 1 70 ASN HD21 1 97 TRP HE3 . . 4.300 2.131 1.888 3.349 . 0 0 "[ . 1 . 2]" 1
1609 1 70 ASN HD21 1 97 TRP HZ3 . . 4.780 2.889 1.998 3.919 . 0 0 "[ . 1 . 2]" 1
1610 1 70 ASN HD22 1 89 ALA MB . . 4.820 3.856 2.880 4.607 . 0 0 "[ . 1 . 2]" 1
1611 1 70 ASN HD22 1 97 TRP HA . . 4.800 3.774 2.916 4.472 . 0 0 "[ . 1 . 2]" 1
1612 1 70 ASN HD22 1 97 TRP HE3 . . 4.300 2.547 1.895 3.146 . 0 0 "[ . 1 . 2]" 1
1613 1 70 ASN HD22 1 97 TRP HZ3 . . 4.780 2.473 2.132 3.008 . 0 0 "[ . 1 . 2]" 1
1614 1 71 LYS H 1 71 LYS HG2 . . 5.210 3.479 2.591 4.631 . 0 0 "[ . 1 . 2]" 1
1615 1 71 LYS H 1 71 LYS QG . . 4.460 3.002 2.564 4.024 . 0 0 "[ . 1 . 2]" 1
1616 1 71 LYS H 1 71 LYS HG3 . . 5.210 3.772 2.636 4.510 . 0 0 "[ . 1 . 2]" 1
1617 1 71 LYS H 1 72 GLU H . . 3.450 2.043 1.812 2.440 . 0 0 "[ . 1 . 2]" 1
1618 1 71 LYS H 1 72 GLU QB . . 5.080 3.427 3.296 4.291 . 0 0 "[ . 1 . 2]" 1
1619 1 71 LYS HA 1 71 LYS HD2 . . 5.010 4.541 4.285 4.729 . 0 0 "[ . 1 . 2]" 1
1620 1 71 LYS HA 1 71 LYS QD . . 4.160 3.922 3.620 4.055 . 0 0 "[ . 1 . 2]" 1
1621 1 71 LYS HA 1 71 LYS HD3 . . 5.010 4.319 3.842 4.679 . 0 0 "[ . 1 . 2]" 1
1622 1 71 LYS QB 1 71 LYS QD . . 2.990 2.098 1.994 2.251 . 0 0 "[ . 1 . 2]" 1
1623 1 71 LYS HB2 1 71 LYS HD2 . . 3.870 3.038 2.462 3.655 . 0 0 "[ . 1 . 2]" 1
1624 1 71 LYS HB2 1 71 LYS HD3 . . 3.870 3.094 2.173 3.844 . 0 0 "[ . 1 . 2]" 1
1625 1 71 LYS HB3 1 71 LYS HD2 . . 3.870 2.975 2.164 3.815 . 0 0 "[ . 1 . 2]" 1
1626 1 71 LYS HB3 1 71 LYS HD3 . . 3.870 2.691 2.079 3.140 . 0 0 "[ . 1 . 2]" 1
1627 1 71 LYS HG2 1 72 GLU H . . 5.500 4.521 3.696 5.237 . 0 0 "[ . 1 . 2]" 1
1628 1 71 LYS HG3 1 72 GLU H . . 5.500 4.787 3.586 5.444 . 0 0 "[ . 1 . 2]" 1
1629 1 72 GLU H 1 72 GLU QB . . 3.020 2.457 2.319 2.721 . 0 0 "[ . 1 . 2]" 1
1630 1 72 GLU H 1 72 GLU HG2 . . 3.570 3.445 3.049 3.569 . 0 0 "[ . 1 . 2]" 1
1631 1 72 GLU H 1 72 GLU HG3 . . 4.650 3.974 2.635 4.189 . 0 0 "[ . 1 . 2]" 1
1632 1 72 GLU H 1 73 SER H . . 4.620 4.397 4.287 4.465 . 0 0 "[ . 1 . 2]" 1
1633 1 72 GLU H 1 85 ILE MG . . 4.210 3.929 3.660 4.207 . 0 0 "[ . 1 . 2]" 1
1634 1 72 GLU HA 1 72 GLU HG2 . . 3.970 2.600 2.340 4.139 0.169 20 0 "[ . 1 . 2]" 1
1635 1 72 GLU HA 1 72 GLU HG3 . . 3.740 3.630 3.534 3.730 . 0 0 "[ . 1 . 2]" 1
1636 1 72 GLU HA 1 73 SER H . . 2.820 2.649 2.511 2.832 0.012 20 0 "[ . 1 . 2]" 1
1637 1 72 GLU HA 1 73 SER QB . . 4.360 3.969 3.837 4.064 . 0 0 "[ . 1 . 2]" 1
1638 1 72 GLU HA 1 85 ILE MD . . 5.500 4.666 4.411 5.163 . 0 0 "[ . 1 . 2]" 1
1639 1 72 GLU HA 1 85 ILE MG . . 5.290 4.571 4.330 4.841 . 0 0 "[ . 1 . 2]" 1
1640 1 72 GLU QB 1 73 SER H . . 3.720 1.964 1.878 2.201 . 0 0 "[ . 1 . 2]" 1
1641 1 72 GLU QB 1 85 ILE MD . . 4.040 2.329 2.036 2.790 . 0 0 "[ . 1 . 2]" 1
1642 1 72 GLU QB 1 85 ILE MG . . 3.560 2.066 1.917 2.347 . 0 0 "[ . 1 . 2]" 1
1643 1 72 GLU HG2 1 73 SER H . . 4.580 4.148 3.718 4.406 . 0 0 "[ . 1 . 2]" 1
1644 1 72 GLU HG2 1 85 ILE MG . . 3.800 3.314 1.969 3.803 0.003 8 0 "[ . 1 . 2]" 1
1645 1 72 GLU HG3 1 73 SER H . . 4.590 4.276 2.709 4.561 . 0 0 "[ . 1 . 2]" 1
1646 1 72 GLU HG3 1 85 ILE MG . . 3.720 2.274 1.801 3.806 0.086 13 0 "[ . 1 . 2]" 1
1647 1 73 SER H 1 73 SER HB2 . . 3.180 2.595 2.423 3.006 . 0 0 "[ . 1 . 2]" 1
1648 1 73 SER H 1 73 SER QB . . 2.760 2.463 2.333 2.713 . 0 0 "[ . 1 . 2]" 1
1649 1 73 SER H 1 73 SER HB3 . . 3.180 3.104 2.982 3.176 . 0 0 "[ . 1 . 2]" 1
1650 1 73 SER H 1 73 SER HG . . 5.340 4.450 4.182 4.716 . 0 0 "[ . 1 . 2]" 1
1651 1 73 SER H 1 74 MET H . . 4.840 4.362 3.620 4.544 . 0 0 "[ . 1 . 2]" 1
1652 1 73 SER H 1 85 ILE MD . . 4.300 3.311 3.008 3.870 . 0 0 "[ . 1 . 2]" 1
1653 1 73 SER HA 1 74 MET H . . 2.940 2.212 2.140 2.284 . 0 0 "[ . 1 . 2]" 1
1654 1 73 SER HA 1 85 ILE MD . . 5.500 5.020 4.624 5.526 0.026 20 0 "[ . 1 . 2]" 1
1655 1 73 SER QB 1 74 MET H . . 3.870 3.453 3.152 3.980 0.110 20 0 "[ . 1 . 2]" 1
1656 1 73 SER QB 1 75 ILE H . . 4.700 4.048 3.598 4.341 . 0 0 "[ . 1 . 2]" 1
1657 1 73 SER HB2 1 74 MET H . . 4.560 4.364 4.205 4.648 0.088 20 0 "[ . 1 . 2]" 1
1658 1 73 SER HB3 1 74 MET H . . 4.560 3.628 3.256 4.328 . 0 0 "[ . 1 . 2]" 1
1659 1 73 SER HG 1 75 ILE H . . 4.760 3.519 2.621 4.514 . 0 0 "[ . 1 . 2]" 1
1660 1 74 MET H 1 74 MET HB2 . . 3.510 2.576 2.344 2.785 . 0 0 "[ . 1 . 2]" 1
1661 1 74 MET H 1 74 MET HB3 . . 3.890 3.705 3.570 3.824 . 0 0 "[ . 1 . 2]" 1
1662 1 74 MET H 1 74 MET HG2 . . 4.290 2.930 2.115 3.739 . 0 0 "[ . 1 . 2]" 1
1663 1 74 MET H 1 74 MET HG3 . . 4.880 3.982 2.923 4.348 . 0 0 "[ . 1 . 2]" 1
1664 1 74 MET H 1 75 ILE H . . 3.260 1.982 1.788 2.586 . 0 0 "[ . 1 . 2]" 1
1665 1 74 MET H 1 75 ILE HB . . 4.980 4.247 3.866 4.921 . 0 0 "[ . 1 . 2]" 1
1666 1 74 MET H 1 75 ILE MD . . 4.910 4.244 2.606 4.863 . 0 0 "[ . 1 . 2]" 1
1667 1 74 MET HA 1 74 MET ME . . 4.180 4.085 3.791 4.186 0.006 12 0 "[ . 1 . 2]" 1
1668 1 74 MET HA 1 74 MET HG2 . . 4.030 2.875 2.311 3.211 . 0 0 "[ . 1 . 2]" 1
1669 1 74 MET HA 1 74 MET HG3 . . 4.140 3.737 3.582 3.920 . 0 0 "[ . 1 . 2]" 1
1670 1 74 MET HA 1 77 VAL QG . . 3.300 2.152 1.945 2.267 . 0 0 "[ . 1 . 2]" 1
1671 1 74 MET HA 1 82 ALA MB . . 4.650 3.303 2.854 3.694 . 0 0 "[ . 1 . 2]" 1
1672 1 74 MET HA 1 85 ILE MD . . 4.520 3.810 3.194 4.095 . 0 0 "[ . 1 . 2]" 1
1673 1 74 MET HB3 1 75 ILE H . . 4.780 3.865 3.479 4.219 . 0 0 "[ . 1 . 2]" 1
1674 1 74 MET HB3 1 82 ALA MB . . 4.850 3.366 2.399 3.972 . 0 0 "[ . 1 . 2]" 1
1675 1 74 MET ME 1 74 MET HG2 . . 3.800 2.842 2.353 3.226 . 0 0 "[ . 1 . 2]" 1
1676 1 74 MET ME 1 82 ALA H . . 5.470 4.665 4.318 4.855 . 0 0 "[ . 1 . 2]" 1
1677 1 74 MET ME 1 82 ALA HA . . 3.270 2.512 2.083 2.873 . 0 0 "[ . 1 . 2]" 1
1678 1 74 MET ME 1 82 ALA MB . . 2.940 2.274 1.955 2.713 . 0 0 "[ . 1 . 2]" 1
1679 1 74 MET ME 1 83 LYS H . . 4.930 4.377 4.158 4.460 . 0 0 "[ . 1 . 2]" 1
1680 1 74 MET ME 1 83 LYS HA . . 3.830 3.973 3.750 4.233 0.403 3 0 "[ . 1 . 2]" 1
1681 1 74 MET ME 1 85 ILE H . . 5.500 4.380 3.990 4.551 . 0 0 "[ . 1 . 2]" 1
1682 1 74 MET ME 1 85 ILE MD . . 2.860 2.846 2.421 3.026 0.166 8 0 "[ . 1 . 2]" 1
1683 1 74 MET ME 1 86 ILE H . . 4.300 3.701 3.216 3.877 . 0 0 "[ . 1 . 2]" 1
1684 1 74 MET ME 1 86 ILE MD . . 3.370 2.650 1.911 3.087 . 0 0 "[ . 1 . 2]" 1
1685 1 74 MET ME 1 86 ILE HG12 . . 4.360 3.607 3.022 4.158 . 0 0 "[ . 1 . 2]" 1
1686 1 74 MET ME 1 86 ILE HG13 . . 3.570 2.847 2.326 3.219 . 0 0 "[ . 1 . 2]" 1
1687 1 74 MET HG2 1 85 ILE MD . . 4.020 3.753 2.584 4.146 0.126 6 0 "[ . 1 . 2]" 1
1688 1 74 MET HG3 1 85 ILE MD . . 5.250 4.641 4.034 5.187 . 0 0 "[ . 1 . 2]" 1
1689 1 75 ILE H 1 75 ILE HB . . 3.130 2.572 2.405 2.681 . 0 0 "[ . 1 . 2]" 1
1690 1 75 ILE H 1 75 ILE MD . . 4.130 3.006 1.779 3.552 . 0 0 "[ . 1 . 2]" 1
1691 1 75 ILE H 1 75 ILE HG12 . . 3.730 2.211 1.899 3.724 . 0 0 "[ . 1 . 2]" 1
1692 1 75 ILE H 1 75 ILE QG . . 3.270 2.155 1.889 3.269 . 0 0 "[ . 1 . 2]" 1
1693 1 75 ILE H 1 75 ILE HG13 . . 3.730 3.537 3.360 3.732 0.002 6 0 "[ . 1 . 2]" 1
1694 1 75 ILE H 1 75 ILE MG . . 3.860 3.763 3.737 3.776 . 0 0 "[ . 1 . 2]" 1
1695 1 75 ILE H 1 76 GLY H . . 4.620 4.539 4.455 4.606 . 0 0 "[ . 1 . 2]" 1
1696 1 75 ILE H 1 77 VAL H . . 5.410 5.296 4.982 5.411 0.001 11 0 "[ . 1 . 2]" 1
1697 1 75 ILE H 1 77 VAL HB . . 5.370 4.454 4.302 4.528 . 0 0 "[ . 1 . 2]" 1
1698 1 75 ILE H 1 77 VAL QG . . 4.430 4.426 4.273 4.524 0.094 5 0 "[ . 1 . 2]" 1
1699 1 75 ILE HA 1 75 ILE MD . . 3.450 2.100 1.951 2.512 . 0 0 "[ . 1 . 2]" 1
1700 1 75 ILE HA 1 75 ILE HG12 . . 4.150 3.126 2.830 3.645 . 0 0 "[ . 1 . 2]" 1
1701 1 75 ILE HA 1 75 ILE QG . . 3.600 2.878 2.391 3.085 . 0 0 "[ . 1 . 2]" 1
1702 1 75 ILE HA 1 75 ILE HG13 . . 4.150 3.604 2.425 3.805 . 0 0 "[ . 1 . 2]" 1
1703 1 75 ILE HA 1 75 ILE MG . . 3.180 2.363 2.264 2.506 . 0 0 "[ . 1 . 2]" 1
1704 1 75 ILE HA 1 76 GLY QA . . 4.610 3.924 3.902 3.958 . 0 0 "[ . 1 . 2]" 1
1705 1 75 ILE HA 1 77 VAL H . . 4.390 4.082 3.804 4.292 . 0 0 "[ . 1 . 2]" 1
1706 1 75 ILE HB 1 75 ILE MD . . 3.430 3.138 2.406 3.230 . 0 0 "[ . 1 . 2]" 1
1707 1 75 ILE HB 1 76 GLY H . . 4.790 4.178 3.981 4.369 . 0 0 "[ . 1 . 2]" 1
1708 1 75 ILE MD 1 76 GLY H . . 4.650 3.669 3.455 4.384 . 0 0 "[ . 1 . 2]" 1
1709 1 75 ILE MG 1 76 GLY H . . 3.370 2.530 2.224 2.779 . 0 0 "[ . 1 . 2]" 1
1710 1 75 ILE MG 1 76 GLY QA . . 3.810 3.059 2.956 3.152 . 0 0 "[ . 1 . 2]" 1
1711 1 76 GLY H 1 77 VAL H . . 3.530 2.908 2.605 3.017 . 0 0 "[ . 1 . 2]" 1
1712 1 76 GLY QA 1 77 VAL QG . . 4.710 4.200 4.157 4.261 . 0 0 "[ . 1 . 2]" 1
1713 1 77 VAL H 1 77 VAL QG . . 2.890 2.428 2.240 2.502 . 0 0 "[ . 1 . 2]" 1
1714 1 77 VAL H 1 78 SER H . . 4.760 4.469 4.449 4.486 . 0 0 "[ . 1 . 2]" 1
1715 1 77 VAL HB 1 78 SER H . . 3.880 3.883 3.787 3.965 0.085 13 0 "[ . 1 . 2]" 1
1716 1 77 VAL HB 1 81 GLU HB3 . . 4.590 4.488 4.186 4.618 0.028 5 0 "[ . 1 . 2]" 1
1717 1 77 VAL HB 1 82 ALA H . . 5.130 5.127 4.962 5.240 0.110 8 0 "[ . 1 . 2]" 1
1718 1 77 VAL HB 1 82 ALA HA . . 5.500 5.478 5.283 5.519 0.019 11 0 "[ . 1 . 2]" 1
1719 1 77 VAL HB 1 82 ALA MB . . 4.270 4.341 4.167 4.464 0.194 2 0 "[ . 1 . 2]" 1
1720 1 77 VAL QG 1 78 SER H . . 3.170 1.853 1.767 1.966 . 0 0 "[ . 1 . 2]" 1
1721 1 77 VAL QG 1 78 SER QB . . 4.530 3.061 2.978 3.152 . 0 0 "[ . 1 . 2]" 1
1722 1 77 VAL QG 1 79 PHE H . . 5.440 4.170 4.115 4.226 . 0 0 "[ . 1 . 2]" 1
1723 1 77 VAL QG 1 81 GLU H . . 4.310 3.655 3.469 3.791 . 0 0 "[ . 1 . 2]" 1
1724 1 77 VAL QG 1 81 GLU HA . . 5.040 4.098 3.905 4.178 . 0 0 "[ . 1 . 2]" 1
1725 1 77 VAL QG 1 81 GLU HB2 . . 3.820 2.466 2.145 2.680 . 0 0 "[ . 1 . 2]" 1
1726 1 77 VAL QG 1 81 GLU HB3 . . 3.570 1.891 1.830 1.916 . 0 0 "[ . 1 . 2]" 1
1727 1 77 VAL QG 1 81 GLU QG . . 3.340 2.545 2.112 3.020 . 0 0 "[ . 1 . 2]" 1
1728 1 77 VAL QG 1 82 ALA H . . 3.530 2.290 2.137 2.475 . 0 0 "[ . 1 . 2]" 1
1729 1 77 VAL QG 1 82 ALA HA . . 3.690 3.027 2.898 3.097 . 0 0 "[ . 1 . 2]" 1
1730 1 77 VAL QG 1 82 ALA MB . . 2.840 2.053 1.931 2.149 . 0 0 "[ . 1 . 2]" 1
1731 1 78 SER H 1 78 SER HB2 . . 3.740 2.364 2.106 3.068 . 0 0 "[ . 1 . 2]" 1
1732 1 78 SER H 1 78 SER QB . . 3.130 2.141 2.085 2.235 . 0 0 "[ . 1 . 2]" 1
1733 1 78 SER H 1 78 SER HB3 . . 3.740 3.129 2.179 3.532 . 0 0 "[ . 1 . 2]" 1
1734 1 78 SER H 1 79 PHE H . . 4.690 4.570 4.551 4.585 . 0 0 "[ . 1 . 2]" 1
1735 1 78 SER H 1 81 GLU H . . 4.580 4.173 4.016 4.276 . 0 0 "[ . 1 . 2]" 1
1736 1 78 SER H 1 81 GLU HB2 . . 3.840 2.835 2.695 2.908 . 0 0 "[ . 1 . 2]" 1
1737 1 78 SER H 1 81 GLU HB3 . . 3.750 3.294 3.002 3.497 . 0 0 "[ . 1 . 2]" 1
1738 1 78 SER H 1 81 GLU QG . . 4.930 3.814 3.545 3.946 . 0 0 "[ . 1 . 2]" 1
1739 1 78 SER H 1 82 ALA H . . 4.600 4.244 3.966 4.400 . 0 0 "[ . 1 . 2]" 1
1740 1 78 SER HA 1 79 PHE H . . 3.250 2.184 2.176 2.205 . 0 0 "[ . 1 . 2]" 1
1741 1 78 SER QB 1 79 PHE H . . 3.640 3.273 3.047 3.610 . 0 0 "[ . 1 . 2]" 1
1742 1 78 SER QB 1 80 GLU H . . 4.030 3.205 2.726 4.045 0.015 12 0 "[ . 1 . 2]" 1
1743 1 78 SER QB 1 81 GLU H . . 4.470 2.614 2.241 3.052 . 0 0 "[ . 1 . 2]" 1
1744 1 78 SER HB2 1 79 PHE H . . 4.180 4.223 3.824 4.371 0.191 1 0 "[ . 1 . 2]" 1
1745 1 78 SER HB3 1 79 PHE H . . 4.180 3.506 3.120 4.327 0.147 12 0 "[ . 1 . 2]" 1
1746 1 78 SER HG 1 81 GLU H . . 4.930 4.232 1.898 4.942 0.012 3 0 "[ . 1 . 2]" 1
1747 1 79 PHE H 1 79 PHE HB2 . . 3.470 2.529 2.364 2.624 . 0 0 "[ . 1 . 2]" 1
1748 1 79 PHE H 1 79 PHE HB3 . . 3.470 2.571 2.473 2.749 . 0 0 "[ . 1 . 2]" 1
1749 1 79 PHE H 1 79 PHE QD . . 4.380 4.176 4.091 4.195 . 0 0 "[ . 1 . 2]" 1
1750 1 79 PHE HA 1 79 PHE QD . . 3.560 2.408 2.241 2.895 . 0 0 "[ . 1 . 2]" 1
1751 1 79 PHE HA 1 80 GLU HA . . 5.250 4.816 4.757 4.847 . 0 0 "[ . 1 . 2]" 1
1752 1 79 PHE HA 1 82 ALA H . . 4.480 3.861 3.628 4.107 . 0 0 "[ . 1 . 2]" 1
1753 1 79 PHE HA 1 82 ALA MB . . 3.680 2.973 2.781 3.237 . 0 0 "[ . 1 . 2]" 1
1754 1 79 PHE HA 1 83 LYS H . . 4.270 4.213 3.995 4.430 0.160 1 0 "[ . 1 . 2]" 1
1755 1 79 PHE QB 1 80 GLU H . . 3.620 2.371 2.174 2.556 . 0 0 "[ . 1 . 2]" 1
1756 1 79 PHE HB2 1 80 GLU H . . 4.140 3.799 3.640 3.928 . 0 0 "[ . 1 . 2]" 1
1757 1 79 PHE HB3 1 80 GLU H . . 4.140 2.395 2.191 2.591 . 0 0 "[ . 1 . 2]" 1
1758 1 79 PHE QD 1 80 GLU H . . 4.240 3.417 2.916 3.795 . 0 0 "[ . 1 . 2]" 1
1759 1 79 PHE QD 1 80 GLU HA . . 4.120 3.825 3.065 4.034 . 0 0 "[ . 1 . 2]" 1
1760 1 79 PHE QD 1 80 GLU QG . . 4.530 3.102 2.484 3.792 . 0 0 "[ . 1 . 2]" 1
1761 1 79 PHE QD 1 82 ALA MB . . 4.730 3.926 3.555 4.366 . 0 0 "[ . 1 . 2]" 1
1762 1 79 PHE QD 1 83 LYS H . . 4.850 4.844 4.539 5.181 0.331 13 0 "[ . 1 . 2]" 1
1763 1 79 PHE QD 1 83 LYS QB . . 5.310 4.135 3.772 4.494 . 0 0 "[ . 1 . 2]" 1
1764 1 79 PHE QE 1 83 LYS QB . . 5.500 3.953 3.407 4.445 . 0 0 "[ . 1 . 2]" 1
1765 1 79 PHE QE 1 83 LYS QE . . 4.220 3.979 2.792 4.750 0.530 18 1 "[ . 1 . + 2]" 1
1766 1 79 PHE QE 1 83 LYS HG2 . . 5.500 5.220 4.922 5.382 . 0 0 "[ . 1 . 2]" 1
1767 1 79 PHE QE 1 83 LYS QG . . 4.710 4.085 3.267 4.766 0.056 5 0 "[ . 1 . 2]" 1
1768 1 79 PHE QE 1 83 LYS HG3 . . 5.500 4.379 3.316 5.391 . 0 0 "[ . 1 . 2]" 1
1769 1 79 PHE HZ 1 83 LYS QB . . 5.100 4.454 3.965 5.058 . 0 0 "[ . 1 . 2]" 1
1770 1 79 PHE HZ 1 83 LYS QD . . 4.780 3.020 2.513 3.975 . 0 0 "[ . 1 . 2]" 1
1771 1 79 PHE HZ 1 83 LYS QE . . 5.340 3.490 2.131 4.414 . 0 0 "[ . 1 . 2]" 1
1772 1 79 PHE HZ 1 83 LYS HG2 . . 5.500 5.430 5.243 5.506 0.006 11 0 "[ . 1 . 2]" 1
1773 1 79 PHE HZ 1 83 LYS QG . . 4.720 4.352 3.718 4.891 0.171 7 0 "[ . 1 . 2]" 1
1774 1 79 PHE HZ 1 83 LYS HG3 . . 5.500 4.689 3.798 5.504 0.004 7 0 "[ . 1 . 2]" 1
1775 1 80 GLU H 1 80 GLU HB2 . . 3.870 2.542 2.094 2.649 . 0 0 "[ . 1 . 2]" 1
1776 1 80 GLU H 1 80 GLU QB . . 3.340 2.490 2.063 2.584 . 0 0 "[ . 1 . 2]" 1
1777 1 80 GLU H 1 80 GLU HB3 . . 3.870 3.566 3.104 3.598 . 0 0 "[ . 1 . 2]" 1
1778 1 80 GLU H 1 80 GLU HG2 . . 4.160 3.315 2.501 4.190 0.030 19 0 "[ . 1 . 2]" 1
1779 1 80 GLU H 1 80 GLU QG . . 3.640 2.168 1.900 3.614 . 0 0 "[ . 1 . 2]" 1
1780 1 80 GLU H 1 80 GLU HG3 . . 4.160 2.229 1.911 3.948 . 0 0 "[ . 1 . 2]" 1
1781 1 80 GLU H 1 81 GLU H . . 3.550 2.794 2.600 2.940 . 0 0 "[ . 1 . 2]" 1
1782 1 80 GLU H 1 82 ALA H . . 5.070 4.708 4.508 4.860 . 0 0 "[ . 1 . 2]" 1
1783 1 80 GLU HA 1 80 GLU HG2 . . 3.640 2.594 2.134 2.884 . 0 0 "[ . 1 . 2]" 1
1784 1 80 GLU HA 1 80 GLU QG . . 3.110 2.436 2.093 2.551 . 0 0 "[ . 1 . 2]" 1
1785 1 80 GLU HA 1 80 GLU HG3 . . 3.640 3.076 2.788 3.610 . 0 0 "[ . 1 . 2]" 1
1786 1 80 GLU HA 1 81 GLU HA . . 5.500 4.819 4.751 4.849 . 0 0 "[ . 1 . 2]" 1
1787 1 80 GLU HA 1 82 ALA H . . 5.500 5.005 4.836 5.153 . 0 0 "[ . 1 . 2]" 1
1788 1 80 GLU HA 1 83 LYS H . . 4.260 3.745 3.634 3.980 . 0 0 "[ . 1 . 2]" 1
1789 1 80 GLU HA 1 83 LYS QB . . 3.850 2.936 2.757 3.177 . 0 0 "[ . 1 . 2]" 1
1790 1 80 GLU HA 1 83 LYS QG . . 5.330 4.812 4.468 5.040 . 0 0 "[ . 1 . 2]" 1
1791 1 80 GLU QB 1 81 GLU H . . 3.450 2.507 2.225 2.718 . 0 0 "[ . 1 . 2]" 1
1792 1 80 GLU QB 1 83 LYS QB . . 5.340 4.512 4.352 4.715 . 0 0 "[ . 1 . 2]" 1
1793 1 80 GLU QB 1 84 SER H . . 5.340 4.706 4.539 4.949 . 0 0 "[ . 1 . 2]" 1
1794 1 80 GLU QG 1 81 GLU H . . 4.360 4.020 3.831 4.156 . 0 0 "[ . 1 . 2]" 1
1795 1 81 GLU H 1 81 GLU HB2 . . 2.950 2.088 2.063 2.131 . 0 0 "[ . 1 . 2]" 1
1796 1 81 GLU H 1 81 GLU HB3 . . 3.740 3.152 3.044 3.311 . 0 0 "[ . 1 . 2]" 1
1797 1 81 GLU H 1 81 GLU HG2 . . 5.170 4.378 4.072 4.560 . 0 0 "[ . 1 . 2]" 1
1798 1 81 GLU H 1 81 GLU QG . . 4.460 3.827 3.523 3.977 . 0 0 "[ . 1 . 2]" 1
1799 1 81 GLU H 1 81 GLU HG3 . . 5.170 4.227 3.857 4.398 . 0 0 "[ . 1 . 2]" 1
1800 1 81 GLU H 1 82 ALA H . . 3.300 2.949 2.759 3.022 . 0 0 "[ . 1 . 2]" 1
1801 1 81 GLU H 1 82 ALA HA . . 5.500 5.466 5.315 5.525 0.025 19 0 "[ . 1 . 2]" 1
1802 1 81 GLU H 1 82 ALA MB . . 4.650 4.436 4.261 4.559 . 0 0 "[ . 1 . 2]" 1
1803 1 81 GLU HA 1 81 GLU QG . . 3.190 2.247 2.029 2.435 . 0 0 "[ . 1 . 2]" 1
1804 1 81 GLU HA 1 83 LYS H . . 4.870 4.401 3.873 4.753 . 0 0 "[ . 1 . 2]" 1
1805 1 81 GLU HA 1 84 SER H . . 4.100 3.257 3.056 3.410 . 0 0 "[ . 1 . 2]" 1
1806 1 81 GLU HA 1 85 ILE MD . . 4.540 3.776 3.386 4.215 . 0 0 "[ . 1 . 2]" 1
1807 1 81 GLU HB2 1 82 ALA H . . 3.340 3.060 2.862 3.204 . 0 0 "[ . 1 . 2]" 1
1808 1 81 GLU HB2 1 83 LYS H . . 5.500 5.307 4.874 5.508 0.008 2 0 "[ . 1 . 2]" 1
1809 1 81 GLU HB3 1 82 ALA H . . 3.550 2.252 2.132 2.475 . 0 0 "[ . 1 . 2]" 1
1810 1 81 GLU HB3 1 83 LYS H . . 5.470 4.804 4.480 4.994 . 0 0 "[ . 1 . 2]" 1
1811 1 81 GLU QG 1 82 ALA H . . 4.340 4.037 3.850 4.233 . 0 0 "[ . 1 . 2]" 1
1812 1 81 GLU QG 1 82 ALA HA . . 5.340 4.850 4.519 5.190 . 0 0 "[ . 1 . 2]" 1
1813 1 81 GLU QG 1 84 SER H . . 5.040 4.887 4.626 4.980 . 0 0 "[ . 1 . 2]" 1
1814 1 81 GLU QG 1 84 SER QB . . 4.300 3.506 3.253 3.735 . 0 0 "[ . 1 . 2]" 1
1815 1 81 GLU QG 1 85 ILE MD . . 3.380 3.032 2.460 3.347 . 0 0 "[ . 1 . 2]" 1
1816 1 81 GLU QG 1 85 ILE QG . . 4.920 3.631 3.434 3.807 . 0 0 "[ . 1 . 2]" 1
1817 1 81 GLU HG2 1 82 ALA H . . 5.050 4.538 4.386 4.765 . 0 0 "[ . 1 . 2]" 1
1818 1 81 GLU HG3 1 82 ALA H . . 5.050 4.546 4.236 4.931 . 0 0 "[ . 1 . 2]" 1
1819 1 82 ALA H 1 82 ALA MB . . 2.940 2.203 2.097 2.248 . 0 0 "[ . 1 . 2]" 1
1820 1 82 ALA H 1 83 LYS H . . 3.430 2.899 2.762 3.041 . 0 0 "[ . 1 . 2]" 1
1821 1 82 ALA H 1 83 LYS HA . . 5.500 5.463 5.365 5.554 0.054 16 0 "[ . 1 . 2]" 1
1822 1 82 ALA H 1 83 LYS QB . . 5.500 4.649 4.542 4.762 . 0 0 "[ . 1 . 2]" 1
1823 1 82 ALA H 1 84 SER H . . 4.640 3.983 3.809 4.225 . 0 0 "[ . 1 . 2]" 1
1824 1 82 ALA H 1 85 ILE H . . 5.360 4.901 4.781 5.049 . 0 0 "[ . 1 . 2]" 1
1825 1 82 ALA H 1 85 ILE MD . . 5.470 3.602 3.289 3.978 . 0 0 "[ . 1 . 2]" 1
1826 1 82 ALA HA 1 83 LYS HA . . 5.020 4.705 4.621 4.760 . 0 0 "[ . 1 . 2]" 1
1827 1 82 ALA HA 1 85 ILE H . . 4.110 3.804 3.576 4.111 0.001 17 0 "[ . 1 . 2]" 1
1828 1 82 ALA HA 1 85 ILE HB . . 4.160 3.445 3.137 3.631 . 0 0 "[ . 1 . 2]" 1
1829 1 82 ALA HA 1 85 ILE MD . . 3.140 2.150 1.880 2.815 . 0 0 "[ . 1 . 2]" 1
1830 1 82 ALA MB 1 83 LYS H . . 3.300 2.565 2.334 2.923 . 0 0 "[ . 1 . 2]" 1
1831 1 82 ALA MB 1 83 LYS HA . . 4.400 3.840 3.763 3.977 . 0 0 "[ . 1 . 2]" 1
1832 1 82 ALA MB 1 83 LYS QB . . 4.340 3.730 3.609 3.898 . 0 0 "[ . 1 . 2]" 1
1833 1 82 ALA MB 1 85 ILE H . . 5.480 4.868 4.581 5.215 . 0 0 "[ . 1 . 2]" 1
1834 1 82 ALA MB 1 85 ILE MD . . 4.220 3.486 3.250 3.958 . 0 0 "[ . 1 . 2]" 1
1835 1 82 ALA MB 1 86 ILE MD . . 5.010 4.026 3.658 4.277 . 0 0 "[ . 1 . 2]" 1
1836 1 83 LYS H 1 83 LYS QB . . 3.250 2.163 2.050 2.354 . 0 0 "[ . 1 . 2]" 1
1837 1 83 LYS H 1 83 LYS HG2 . . 4.860 4.411 4.097 4.605 . 0 0 "[ . 1 . 2]" 1
1838 1 83 LYS H 1 83 LYS HG3 . . 4.860 4.046 3.466 4.484 . 0 0 "[ . 1 . 2]" 1
1839 1 83 LYS H 1 84 SER H . . 3.370 2.442 2.173 2.617 . 0 0 "[ . 1 . 2]" 1
1840 1 83 LYS H 1 84 SER QB . . 4.800 4.189 3.873 4.384 . 0 0 "[ . 1 . 2]" 1
1841 1 83 LYS H 1 85 ILE H . . 4.660 4.288 3.825 4.727 0.067 8 0 "[ . 1 . 2]" 1
1842 1 83 LYS H 1 85 ILE MD . . 4.300 4.579 4.183 4.994 0.694 5 2 "[ - + 1 . 2]" 1
1843 1 83 LYS HA 1 83 LYS QD . . 4.530 3.758 3.534 3.984 . 0 0 "[ . 1 . 2]" 1
1844 1 83 LYS HA 1 83 LYS QE . . 4.720 4.444 4.023 4.783 0.063 19 0 "[ . 1 . 2]" 1
1845 1 83 LYS HA 1 83 LYS HG2 . . 3.860 2.720 2.077 3.427 . 0 0 "[ . 1 . 2]" 1
1846 1 83 LYS HA 1 83 LYS HG3 . . 3.860 2.585 2.119 3.050 . 0 0 "[ . 1 . 2]" 1
1847 1 83 LYS HA 1 86 ILE H . . 4.120 3.770 3.509 4.039 . 0 0 "[ . 1 . 2]" 1
1848 1 83 LYS HA 1 86 ILE HB . . 4.200 3.426 3.203 3.637 . 0 0 "[ . 1 . 2]" 1
1849 1 83 LYS HA 1 86 ILE MD . . 3.450 2.666 2.101 3.284 . 0 0 "[ . 1 . 2]" 1
1850 1 83 LYS HA 1 86 ILE HG13 . . 4.070 3.745 2.592 4.506 0.436 3 0 "[ . 1 . 2]" 1
1851 1 83 LYS HA 1 87 THR MG . . 5.500 4.780 4.409 5.305 . 0 0 "[ . 1 . 2]" 1
1852 1 83 LYS QB 1 83 LYS QE . . 4.560 3.447 2.384 3.652 . 0 0 "[ . 1 . 2]" 1
1853 1 83 LYS QB 1 84 SER H . . 3.630 2.983 2.732 3.202 . 0 0 "[ . 1 . 2]" 1
1854 1 83 LYS QD 1 84 SER HA . . 5.160 5.673 4.916 6.231 1.071 1 12 "[+ * * ** * *- .****2]" 1
1855 1 83 LYS QD 1 86 ILE H . . 4.690 6.785 6.380 6.994 2.304 18 20 [*****************+*-] 1
1856 1 83 LYS QE 1 83 LYS QG . . 3.260 2.128 1.969 2.513 . 0 0 "[ . 1 . 2]" 1
1857 1 83 LYS QG 1 84 SER H . . 5.160 4.396 4.132 4.579 . 0 0 "[ . 1 . 2]" 1
1858 1 84 SER H 1 84 SER QB . . 2.780 2.240 2.110 2.298 . 0 0 "[ . 1 . 2]" 1
1859 1 84 SER H 1 85 ILE HB . . 5.500 4.633 4.410 4.827 . 0 0 "[ . 1 . 2]" 1
1860 1 84 SER H 1 85 ILE MD . . 4.440 4.139 3.798 4.398 . 0 0 "[ . 1 . 2]" 1
1861 1 84 SER H 1 86 ILE H . . 4.550 4.246 3.826 4.547 . 0 0 "[ . 1 . 2]" 1
1862 1 84 SER QB 1 85 ILE H . . 3.600 2.535 2.043 3.035 . 0 0 "[ . 1 . 2]" 1
1863 1 84 SER QB 1 85 ILE MD . . 4.560 3.887 3.568 4.166 . 0 0 "[ . 1 . 2]" 1
1864 1 84 SER QB 1 85 ILE QG . . 4.720 3.395 3.148 3.635 . 0 0 "[ . 1 . 2]" 1
1865 1 84 SER HB2 1 85 ILE H . . 4.140 3.678 2.774 4.172 0.032 13 0 "[ . 1 . 2]" 1
1866 1 84 SER HB2 1 85 ILE MD . . 5.320 5.124 4.236 5.545 0.225 12 0 "[ . 1 . 2]" 1
1867 1 84 SER HB3 1 85 ILE H . . 4.140 2.611 2.059 3.117 . 0 0 "[ . 1 . 2]" 1
1868 1 84 SER HB3 1 85 ILE MD . . 5.320 4.065 3.665 4.729 . 0 0 "[ . 1 . 2]" 1
1869 1 85 ILE H 1 85 ILE HB . . 3.040 2.499 2.392 2.627 . 0 0 "[ . 1 . 2]" 1
1870 1 85 ILE H 1 85 ILE MD . . 3.370 2.838 2.366 3.172 . 0 0 "[ . 1 . 2]" 1
1871 1 85 ILE H 1 85 ILE HG12 . . 3.730 3.838 3.673 4.050 0.320 13 0 "[ . 1 . 2]" 1
1872 1 85 ILE H 1 85 ILE HG13 . . 3.730 2.414 2.168 2.753 . 0 0 "[ . 1 . 2]" 1
1873 1 85 ILE H 1 85 ILE MG . . 3.870 3.760 3.732 3.789 . 0 0 "[ . 1 . 2]" 1
1874 1 85 ILE H 1 86 ILE H . . 3.580 2.852 2.585 3.034 . 0 0 "[ . 1 . 2]" 1
1875 1 85 ILE H 1 86 ILE HG13 . . 4.930 4.597 3.881 5.072 0.142 15 0 "[ . 1 . 2]" 1
1876 1 85 ILE H 1 87 THR MG . . 5.500 4.256 3.849 4.524 . 0 0 "[ . 1 . 2]" 1
1877 1 85 ILE HA 1 85 ILE MD . . 3.880 3.759 3.633 3.848 . 0 0 "[ . 1 . 2]" 1
1878 1 85 ILE HA 1 85 ILE HG12 . . 3.310 2.992 2.811 3.152 . 0 0 "[ . 1 . 2]" 1
1879 1 85 ILE HA 1 85 ILE HG13 . . 3.310 2.413 2.252 2.569 . 0 0 "[ . 1 . 2]" 1
1880 1 85 ILE HA 1 85 ILE MG . . 3.060 2.452 2.361 2.532 . 0 0 "[ . 1 . 2]" 1
1881 1 85 ILE HA 1 88 ARG H . . 4.390 3.573 3.222 4.105 . 0 0 "[ . 1 . 2]" 1
1882 1 85 ILE HA 1 88 ARG QB . . 4.770 2.517 1.984 3.966 . 0 0 "[ . 1 . 2]" 1
1883 1 85 ILE HA 1 88 ARG HG2 . . 4.800 4.233 1.994 4.818 0.018 6 0 "[ . 1 . 2]" 1
1884 1 85 ILE HA 1 88 ARG HG3 . . 4.800 3.294 2.095 4.089 . 0 0 "[ . 1 . 2]" 1
1885 1 85 ILE HB 1 85 ILE MD . . 3.460 2.065 1.993 2.205 . 0 0 "[ . 1 . 2]" 1
1886 1 85 ILE HB 1 86 ILE H . . 3.240 2.509 2.318 2.939 . 0 0 "[ . 1 . 2]" 1
1887 1 85 ILE MD 1 86 ILE H . . 4.770 4.076 3.831 4.433 . 0 0 "[ . 1 . 2]" 1
1888 1 85 ILE MG 1 86 ILE H . . 3.930 3.152 2.864 3.352 . 0 0 "[ . 1 . 2]" 1
1889 1 85 ILE MG 1 88 ARG H . . 5.500 4.511 4.150 5.211 . 0 0 "[ . 1 . 2]" 1
1890 1 86 ILE H 1 86 ILE HB . . 3.380 2.535 2.371 2.732 . 0 0 "[ . 1 . 2]" 1
1891 1 86 ILE H 1 86 ILE MD . . 3.960 3.413 3.031 3.687 . 0 0 "[ . 1 . 2]" 1
1892 1 86 ILE H 1 86 ILE HG12 . . 3.560 3.448 2.683 3.787 0.227 16 0 "[ . 1 . 2]" 1
1893 1 86 ILE H 1 86 ILE HG13 . . 3.440 2.188 1.897 2.470 . 0 0 "[ . 1 . 2]" 1
1894 1 86 ILE H 1 86 ILE MG . . 3.870 3.752 3.726 3.769 . 0 0 "[ . 1 . 2]" 1
1895 1 86 ILE H 1 87 THR H . . 3.230 2.938 2.672 3.061 . 0 0 "[ . 1 . 2]" 1
1896 1 86 ILE H 1 87 THR MG . . 4.640 4.010 3.756 4.245 . 0 0 "[ . 1 . 2]" 1
1897 1 86 ILE H 1 88 ARG H . . 4.780 3.849 3.644 4.127 . 0 0 "[ . 1 . 2]" 1
1898 1 86 ILE HA 1 86 ILE MD . . 4.080 3.810 3.665 3.853 . 0 0 "[ . 1 . 2]" 1
1899 1 86 ILE HA 1 86 ILE HG12 . . 3.690 2.621 2.462 2.856 . 0 0 "[ . 1 . 2]" 1
1900 1 86 ILE HA 1 86 ILE HG13 . . 3.890 2.856 2.531 3.375 . 0 0 "[ . 1 . 2]" 1
1901 1 86 ILE HA 1 86 ILE MG . . 3.170 2.386 2.251 2.463 . 0 0 "[ . 1 . 2]" 1
1902 1 86 ILE HA 1 87 THR MG . . 5.500 5.037 4.794 5.241 . 0 0 "[ . 1 . 2]" 1
1903 1 86 ILE HA 1 88 ARG H . . 5.190 4.109 3.768 4.726 . 0 0 "[ . 1 . 2]" 1
1904 1 86 ILE HA 1 89 ALA H . . 4.750 3.630 3.474 4.021 . 0 0 "[ . 1 . 2]" 1
1905 1 86 ILE HA 1 89 ALA MB . . 4.050 2.964 2.328 3.477 . 0 0 "[ . 1 . 2]" 1
1906 1 86 ILE HB 1 86 ILE MD . . 3.430 2.320 2.067 2.609 . 0 0 "[ . 1 . 2]" 1
1907 1 86 ILE HB 1 87 THR H . . 3.480 2.251 2.089 2.415 . 0 0 "[ . 1 . 2]" 1
1908 1 86 ILE HB 1 87 THR HA . . 4.380 4.298 4.052 4.390 0.010 6 0 "[ . 1 . 2]" 1
1909 1 86 ILE HB 1 87 THR MG . . 4.480 3.940 3.588 4.497 0.017 15 0 "[ . 1 . 2]" 1
1910 1 86 ILE MD 1 87 THR H . . 4.670 4.208 3.891 4.610 . 0 0 "[ . 1 . 2]" 1
1911 1 86 ILE HG12 1 87 THR H . . 4.950 4.821 4.662 4.967 0.017 6 0 "[ . 1 . 2]" 1
1912 1 86 ILE HG13 1 87 THR H . . 4.410 4.212 3.911 4.389 . 0 0 "[ . 1 . 2]" 1
1913 1 86 ILE MG 1 87 THR H . . 3.910 3.003 2.622 3.530 . 0 0 "[ . 1 . 2]" 1
1914 1 86 ILE MG 1 87 THR HA . . 4.280 3.294 3.032 3.720 . 0 0 "[ . 1 . 2]" 1
1915 1 86 ILE MG 1 88 ARG H . . 5.500 4.579 4.269 5.000 . 0 0 "[ . 1 . 2]" 1
1916 1 86 ILE MG 1 89 ALA H . . 4.940 4.579 4.279 4.938 . 0 0 "[ . 1 . 2]" 1
1917 1 87 THR H 1 87 THR HB . . 3.730 2.549 2.267 2.732 . 0 0 "[ . 1 . 2]" 1
1918 1 87 THR H 1 87 THR MG . . 3.540 2.171 1.913 2.751 . 0 0 "[ . 1 . 2]" 1
1919 1 87 THR HA 1 87 THR MG . . 3.220 3.197 3.166 3.208 . 0 0 "[ . 1 . 2]" 1
1920 1 87 THR HA 1 88 ARG QG . . 5.340 5.155 4.883 5.291 . 0 0 "[ . 1 . 2]" 1
1921 1 87 THR HA 1 89 ALA MB . . 4.980 4.342 4.053 4.662 . 0 0 "[ . 1 . 2]" 1
1922 1 87 THR HB 1 88 ARG H . . 4.070 4.085 3.727 4.262 0.192 9 0 "[ . 1 . 2]" 1
1923 1 87 THR MG 1 88 ARG H . . 4.260 2.317 1.828 2.638 . 0 0 "[ . 1 . 2]" 1
1924 1 87 THR MG 1 88 ARG HA . . 3.790 3.352 2.966 3.676 . 0 0 "[ . 1 . 2]" 1
1925 1 88 ARG H 1 88 ARG HB2 . . 3.740 2.523 2.278 3.600 . 0 0 "[ . 1 . 2]" 1
1926 1 88 ARG H 1 88 ARG QB . . 3.070 2.333 2.252 2.528 . 0 0 "[ . 1 . 2]" 1
1927 1 88 ARG H 1 88 ARG HB3 . . 3.740 3.424 2.488 3.639 . 0 0 "[ . 1 . 2]" 1
1928 1 88 ARG H 1 88 ARG HD2 . . 5.460 5.017 4.300 5.435 . 0 0 "[ . 1 . 2]" 1
1929 1 88 ARG H 1 88 ARG QD . . 4.690 4.330 3.492 4.664 . 0 0 "[ . 1 . 2]" 1
1930 1 88 ARG H 1 88 ARG HD3 . . 5.460 4.760 3.644 5.312 . 0 0 "[ . 1 . 2]" 1
1931 1 88 ARG H 1 88 ARG HG2 . . 4.200 3.212 2.274 4.124 . 0 0 "[ . 1 . 2]" 1
1932 1 88 ARG H 1 88 ARG HG3 . . 4.200 3.133 2.381 3.559 . 0 0 "[ . 1 . 2]" 1
1933 1 88 ARG H 1 89 ALA MB . . 4.860 4.011 3.858 4.225 . 0 0 "[ . 1 . 2]" 1
1934 1 88 ARG HA 1 88 ARG HD2 . . 5.080 4.453 3.585 5.195 0.115 8 0 "[ . 1 . 2]" 1
1935 1 88 ARG HA 1 88 ARG QD . . 4.360 3.644 2.806 4.249 . 0 0 "[ . 1 . 2]" 1
1936 1 88 ARG HA 1 88 ARG HD3 . . 5.080 3.923 2.851 4.607 . 0 0 "[ . 1 . 2]" 1
1937 1 88 ARG HA 1 88 ARG HG2 . . 3.970 2.671 2.294 4.141 0.171 20 0 "[ . 1 . 2]" 1
1938 1 88 ARG HA 1 88 ARG QG . . 3.480 2.505 2.268 3.375 . 0 0 "[ . 1 . 2]" 1
1939 1 88 ARG HA 1 88 ARG HG3 . . 3.970 3.419 2.698 3.718 . 0 0 "[ . 1 . 2]" 1
1940 1 88 ARG HA 1 89 ALA MB . . 5.090 4.734 4.351 4.890 . 0 0 "[ . 1 . 2]" 1
1941 1 88 ARG QB 1 88 ARG QD . . 3.310 2.046 1.896 2.199 . 0 0 "[ . 1 . 2]" 1
1942 1 88 ARG HB2 1 89 ALA H . . 4.130 3.176 2.140 4.179 0.049 20 0 "[ . 1 . 2]" 1
1943 1 88 ARG HB3 1 89 ALA H . . 4.130 3.798 3.022 4.183 0.053 20 0 "[ . 1 . 2]" 1
1944 1 89 ALA H 1 89 ALA MB . . 2.980 2.274 2.036 2.724 . 0 0 "[ . 1 . 2]" 1
1945 1 89 ALA HA 1 90 LYS H . . 3.060 2.529 2.166 2.957 . 0 0 "[ . 1 . 2]" 1
1946 1 89 ALA HA 1 90 LYS QB . . 4.380 4.367 3.910 4.563 0.183 1 0 "[ . 1 . 2]" 1
1947 1 89 ALA MB 1 90 LYS H . . 3.530 2.328 1.798 3.026 . 0 0 "[ . 1 . 2]" 1
1948 1 89 ALA MB 1 90 LYS HA . . 5.370 4.197 3.764 4.568 . 0 0 "[ . 1 . 2]" 1
1949 1 89 ALA MB 1 97 TRP HE3 . . 4.600 4.011 3.554 4.508 . 0 0 "[ . 1 . 2]" 1
1950 1 89 ALA MB 1 97 TRP HH2 . . 4.180 1.940 1.778 2.509 . 0 0 "[ . 1 . 2]" 1
1951 1 89 ALA MB 1 97 TRP HZ2 . . 5.180 3.709 3.448 4.299 . 0 0 "[ . 1 . 2]" 1
1952 1 89 ALA MB 1 97 TRP HZ3 . . 3.740 2.069 1.794 2.692 . 0 0 "[ . 1 . 2]" 1
1953 1 90 LYS H 1 90 LYS QB . . 3.020 2.361 2.115 2.802 . 0 0 "[ . 1 . 2]" 1
1954 1 90 LYS H 1 90 LYS HD2 . . 5.500 4.795 2.480 5.517 0.017 15 0 "[ . 1 . 2]" 1
1955 1 90 LYS H 1 90 LYS HD3 . . 5.500 5.000 3.999 5.443 . 0 0 "[ . 1 . 2]" 1
1956 1 90 LYS H 1 90 LYS HG2 . . 4.780 3.670 2.380 4.643 . 0 0 "[ . 1 . 2]" 1
1957 1 90 LYS H 1 90 LYS HG3 . . 4.780 3.382 2.544 4.709 . 0 0 "[ . 1 . 2]" 1
1958 1 90 LYS H 1 91 LEU QD . . 5.440 3.748 1.942 4.654 . 0 0 "[ . 1 . 2]" 1
1959 1 90 LYS H 1 97 TRP HZ3 . . 4.890 3.409 2.587 4.041 . 0 0 "[ . 1 . 2]" 1
1960 1 90 LYS HA 1 90 LYS HD2 . . 5.340 4.294 3.392 4.791 . 0 0 "[ . 1 . 2]" 1
1961 1 90 LYS HA 1 90 LYS QD . . 4.580 3.460 2.067 4.097 . 0 0 "[ . 1 . 2]" 1
1962 1 90 LYS HA 1 90 LYS HD3 . . 5.340 3.747 2.085 4.752 . 0 0 "[ . 1 . 2]" 1
1963 1 90 LYS HA 1 90 LYS HG2 . . 4.090 2.420 2.146 3.424 . 0 0 "[ . 1 . 2]" 1
1964 1 90 LYS HA 1 90 LYS QG . . 3.380 2.245 2.127 2.626 . 0 0 "[ . 1 . 2]" 1
1965 1 90 LYS HA 1 90 LYS HG3 . . 4.090 3.166 2.184 3.686 . 0 0 "[ . 1 . 2]" 1
1966 1 90 LYS HA 1 91 LEU H . . 3.150 3.323 2.459 3.571 0.421 8 0 "[ . 1 . 2]" 1
1967 1 90 LYS HA 1 91 LEU QD . . 4.660 3.625 2.346 4.672 0.012 8 0 "[ . 1 . 2]" 1
1968 1 90 LYS HA 1 91 LEU HG . . 4.550 4.556 3.333 6.560 2.010 1 7 "[+ * . * 1 * * - *]" 1
1969 1 90 LYS HA 1 97 TRP HH2 . . 5.150 4.920 4.366 5.145 . 0 0 "[ . 1 . 2]" 1
1970 1 90 LYS QB 1 91 LEU H . . 4.380 2.970 2.133 3.929 . 0 0 "[ . 1 . 2]" 1
1971 1 91 LEU H 1 91 LEU QB . . 3.620 2.961 2.204 3.287 . 0 0 "[ . 1 . 2]" 1
1972 1 91 LEU H 1 91 LEU MD1 . . 4.340 3.647 1.802 4.817 0.477 16 0 "[ . 1 . 2]" 1
1973 1 91 LEU H 1 91 LEU QD . . 3.490 2.764 1.626 3.617 0.127 16 0 "[ . 1 . 2]" 1
1974 1 91 LEU H 1 91 LEU MD2 . . 4.340 3.094 1.850 4.831 0.491 1 0 "[ . 1 . 2]" 1
1975 1 91 LEU H 1 91 LEU HG . . 3.850 3.272 2.609 4.026 0.176 16 0 "[ . 1 . 2]" 1
1976 1 91 LEU HA 1 91 LEU MD1 . . 4.620 3.401 2.092 4.097 . 0 0 "[ . 1 . 2]" 1
1977 1 91 LEU HA 1 91 LEU MD2 . . 4.620 3.513 1.853 3.975 . 0 0 "[ . 1 . 2]" 1
1978 1 91 LEU HA 1 97 TRP HH2 . . 4.310 2.846 2.011 3.502 . 0 0 "[ . 1 . 2]" 1
1979 1 91 LEU HA 1 97 TRP HZ2 . . 4.780 2.388 1.992 3.496 . 0 0 "[ . 1 . 2]" 1
1980 1 91 LEU QB 1 92 ARG H . . 4.190 3.318 1.930 3.968 . 0 0 "[ . 1 . 2]" 1
1981 1 91 LEU QB 1 92 ARG QB . . 3.820 3.698 2.992 4.067 0.247 12 0 "[ . 1 . 2]" 1
1982 1 91 LEU QB 1 97 TRP HH2 . . 5.420 3.387 2.540 4.428 . 0 0 "[ . 1 . 2]" 1
1983 1 91 LEU QB 1 97 TRP HZ2 . . 5.150 2.899 2.073 4.182 . 0 0 "[ . 1 . 2]" 1
1984 1 91 LEU QD 1 92 ARG H . . 5.070 3.603 1.867 4.520 . 0 0 "[ . 1 . 2]" 1
1985 1 91 LEU QD 1 92 ARG HA . . 4.960 4.602 3.096 5.066 0.106 7 0 "[ . 1 . 2]" 1
1986 1 91 LEU QD 1 92 ARG QB . . 4.410 3.353 1.972 4.064 . 0 0 "[ . 1 . 2]" 1
1987 1 91 LEU QD 1 97 TRP HH2 . . 5.440 2.779 1.863 3.940 . 0 0 "[ . 1 . 2]" 1
1988 1 91 LEU QD 1 97 TRP HZ2 . . 4.430 3.032 1.852 3.914 . 0 0 "[ . 1 . 2]" 1
1989 1 91 LEU MD1 1 97 TRP HZ2 . . 5.470 3.885 1.890 4.801 . 0 0 "[ . 1 . 2]" 1
1990 1 91 LEU MD2 1 97 TRP HZ2 . . 5.470 3.734 1.855 4.777 . 0 0 "[ . 1 . 2]" 1
1991 1 92 ARG H 1 93 SER H . . 4.040 2.694 1.877 3.678 . 0 0 "[ . 1 . 2]" 1
1992 1 92 ARG HA 1 92 ARG HD2 . . 5.310 3.970 2.823 4.738 . 0 0 "[ . 1 . 2]" 1
1993 1 92 ARG HA 1 92 ARG QD . . 4.560 3.455 2.171 4.156 . 0 0 "[ . 1 . 2]" 1
1994 1 92 ARG HA 1 92 ARG HD3 . . 5.310 4.025 2.187 5.035 . 0 0 "[ . 1 . 2]" 1
1995 1 92 ARG HA 1 92 ARG QG . . 3.450 2.351 2.027 3.368 . 0 0 "[ . 1 . 2]" 1
1996 1 92 ARG HA 1 93 SER H . . 3.030 2.623 2.160 2.884 . 0 0 "[ . 1 . 2]" 1
1997 1 92 ARG QB 1 93 SER H . . 4.800 3.913 3.804 4.032 . 0 0 "[ . 1 . 2]" 1
1998 1 92 ARG QG 1 93 SER H . . 4.310 4.199 3.128 4.476 0.166 18 0 "[ . 1 . 2]" 1
1999 1 93 SER H 1 93 SER HB2 . . 3.830 2.921 2.446 3.369 . 0 0 "[ . 1 . 2]" 1
2000 1 93 SER H 1 93 SER HB3 . . 3.830 3.223 2.624 3.706 . 0 0 "[ . 1 . 2]" 1
2001 1 93 SER H 1 94 GLU H . . 4.490 3.919 1.778 4.450 . 0 0 "[ . 1 . 2]" 1
2002 1 93 SER HA 1 95 SER H . . 5.500 4.618 4.093 4.979 . 0 0 "[ . 1 . 2]" 1
2003 1 93 SER QB 1 94 GLU H . . 3.960 2.589 1.892 3.632 . 0 0 "[ . 1 . 2]" 1
2004 1 93 SER QB 1 94 GLU QB . . 3.990 4.260 3.858 4.720 0.730 5 4 "[ *- + 1* . 2]" 1
2005 1 93 SER QB 1 95 SER H . . 4.380 2.918 2.219 3.997 . 0 0 "[ . 1 . 2]" 1
2006 1 93 SER HB2 1 94 GLU H . . 4.620 3.762 3.263 4.406 . 0 0 "[ . 1 . 2]" 1
2007 1 93 SER HB3 1 94 GLU H . . 4.620 2.672 1.901 4.058 . 0 0 "[ . 1 . 2]" 1
2008 1 94 GLU H 1 94 GLU QB . . 3.620 2.481 2.055 3.491 . 0 0 "[ . 1 . 2]" 1
2009 1 94 GLU H 1 95 SER H . . 3.420 2.484 2.048 3.439 0.019 10 0 "[ . 1 . 2]" 1
2010 1 94 GLU HA 1 94 GLU QG . . 3.720 2.321 2.032 3.357 . 0 0 "[ . 1 . 2]" 1
2011 1 94 GLU HB2 1 95 SER H . . 4.030 3.206 2.384 3.931 . 0 0 "[ . 1 . 2]" 1
2012 1 94 GLU HB3 1 95 SER H . . 4.030 3.021 2.086 4.013 . 0 0 "[ . 1 . 2]" 1
2013 1 95 SER H 1 95 SER HB2 . . 3.630 3.027 2.096 3.588 . 0 0 "[ . 1 . 2]" 1
2014 1 95 SER H 1 95 SER QB . . 3.130 2.527 2.070 2.952 . 0 0 "[ . 1 . 2]" 1
2015 1 95 SER H 1 95 SER HB3 . . 3.630 2.965 2.190 3.615 . 0 0 "[ . 1 . 2]" 1
2016 1 95 SER HA 1 96 PRO HA . . 4.690 4.409 4.393 4.444 . 0 0 "[ . 1 . 2]" 1
2017 1 95 SER HA 1 96 PRO HD2 . . 3.170 2.202 2.019 2.332 . 0 0 "[ . 1 . 2]" 1
2018 1 95 SER HA 1 96 PRO HD3 . . 3.170 2.259 2.251 2.289 . 0 0 "[ . 1 . 2]" 1
2019 1 95 SER HA 1 96 PRO HG2 . . 4.590 4.353 4.209 4.457 . 0 0 "[ . 1 . 2]" 1
2020 1 95 SER HA 1 96 PRO HG3 . . 4.590 4.371 4.315 4.431 . 0 0 "[ . 1 . 2]" 1
2021 1 95 SER QB 1 96 PRO QG . . 4.350 4.119 3.666 4.745 0.395 19 0 "[ . 1 . 2]" 1
2022 1 96 PRO HA 1 97 TRP H . . 3.030 2.565 2.373 2.729 . 0 0 "[ . 1 . 2]" 1
2023 1 96 PRO HA 1 97 TRP HD1 . . 5.500 4.750 4.472 4.889 . 0 0 "[ . 1 . 2]" 1
2024 1 96 PRO HB2 1 97 TRP H . . 3.410 2.232 1.890 2.681 . 0 0 "[ . 1 . 2]" 1
2025 1 96 PRO HB3 1 97 TRP H . . 3.720 3.278 3.141 3.489 . 0 0 "[ . 1 . 2]" 1
2026 1 97 TRP H 1 97 TRP HB2 . . 3.490 2.386 2.321 2.488 . 0 0 "[ . 1 . 2]" 1
2027 1 97 TRP H 1 97 TRP HB3 . . 3.800 3.616 3.571 3.686 . 0 0 "[ . 1 . 2]" 1
2028 1 97 TRP H 1 97 TRP HD1 . . 3.810 3.460 3.262 3.669 . 0 0 "[ . 1 . 2]" 1
2029 1 97 TRP H 1 97 TRP HE1 . . 5.500 5.334 5.077 5.518 0.018 11 0 "[ . 1 . 2]" 1
2030 1 97 TRP H 1 97 TRP HE3 . . 5.100 4.916 4.765 5.063 . 0 0 "[ . 1 . 2]" 1
2031 1 97 TRP H 1 98 GLU H . . 5.420 4.440 4.338 4.595 . 0 0 "[ . 1 . 2]" 1
2032 1 97 TRP HA 1 97 TRP HE3 . . 3.690 2.287 2.128 2.419 . 0 0 "[ . 1 . 2]" 1
2033 1 97 TRP HA 1 98 GLU H . . 2.920 2.154 2.141 2.238 . 0 0 "[ . 1 . 2]" 1
2034 1 97 TRP HA 1 98 GLU HA . . 4.850 4.383 4.366 4.399 . 0 0 "[ . 1 . 2]" 1
2035 1 97 TRP HA 1 98 GLU QB . . 5.340 4.053 4.006 4.099 . 0 0 "[ . 1 . 2]" 1
2036 1 97 TRP HA 1 99 ILE MD . . 4.800 4.120 3.614 4.714 . 0 0 "[ . 1 . 2]" 1
2037 1 97 TRP HB2 1 98 GLU H . . 4.440 4.322 4.054 4.420 . 0 0 "[ . 1 . 2]" 1
2038 1 97 TRP HB2 1 99 ILE MD . . 3.790 2.698 2.317 2.981 . 0 0 "[ . 1 . 2]" 1
2039 1 97 TRP HB2 1 99 ILE QG . . 4.850 3.906 3.404 4.450 . 0 0 "[ . 1 . 2]" 1
2040 1 97 TRP HB3 1 97 TRP HE3 . . 4.110 2.951 2.885 3.026 . 0 0 "[ . 1 . 2]" 1
2041 1 97 TRP HB3 1 98 GLU H . . 3.950 3.395 2.900 3.580 . 0 0 "[ . 1 . 2]" 1
2042 1 97 TRP HB3 1 99 ILE MD . . 3.690 2.195 1.917 2.655 . 0 0 "[ . 1 . 2]" 1
2043 1 97 TRP HB3 1 99 ILE HG12 . . 4.660 4.106 3.602 4.684 0.024 13 0 "[ . 1 . 2]" 1
2044 1 97 TRP HB3 1 99 ILE QG . . 3.870 3.466 3.177 3.763 . 0 0 "[ . 1 . 2]" 1
2045 1 97 TRP HB3 1 99 ILE HG13 . . 4.660 3.989 3.242 4.663 0.003 7 0 "[ . 1 . 2]" 1
2046 1 97 TRP HD1 1 99 ILE MD . . 4.660 4.396 4.245 4.592 . 0 0 "[ . 1 . 2]" 1
2047 1 97 TRP HE3 1 98 GLU H . . 4.190 3.133 2.864 3.391 . 0 0 "[ . 1 . 2]" 1
2048 1 98 GLU H 1 98 GLU QB . . 3.310 2.288 2.148 2.404 . 0 0 "[ . 1 . 2]" 1
2049 1 98 GLU H 1 98 GLU HG2 . . 4.870 4.569 4.371 4.699 . 0 0 "[ . 1 . 2]" 1
2050 1 98 GLU H 1 98 GLU QG . . 4.140 4.007 3.929 4.069 . 0 0 "[ . 1 . 2]" 1
2051 1 98 GLU H 1 98 GLU HG3 . . 4.870 4.451 4.212 4.697 . 0 0 "[ . 1 . 2]" 1
2052 1 98 GLU H 1 99 ILE H . . 4.710 4.204 4.126 4.245 . 0 0 "[ . 1 . 2]" 1
2053 1 98 GLU H 1 99 ILE MD . . 5.000 3.983 3.200 4.936 . 0 0 "[ . 1 . 2]" 1
2054 1 98 GLU H 1 99 ILE QG . . 4.940 4.642 4.435 4.833 . 0 0 "[ . 1 . 2]" 1
2055 1 98 GLU HA 1 98 GLU HG2 . . 4.200 3.205 2.504 3.801 . 0 0 "[ . 1 . 2]" 1
2056 1 98 GLU HA 1 98 GLU QG . . 3.590 2.351 2.048 2.613 . 0 0 "[ . 1 . 2]" 1
2057 1 98 GLU HA 1 98 GLU HG3 . . 4.200 2.504 2.071 3.094 . 0 0 "[ . 1 . 2]" 1
2058 1 98 GLU HA 1 99 ILE H . . 2.930 2.190 2.167 2.206 . 0 0 "[ . 1 . 2]" 1
2059 1 98 GLU HA 1 99 ILE HA . . 4.880 4.421 4.405 4.438 . 0 0 "[ . 1 . 2]" 1
2060 1 98 GLU HA 1 99 ILE MD . . 4.910 4.019 3.406 4.614 . 0 0 "[ . 1 . 2]" 1
2061 1 98 GLU HA 1 99 ILE QG . . 4.670 4.038 3.568 4.662 . 0 0 "[ . 1 . 2]" 1
2062 1 98 GLU QB 1 99 ILE H . . 4.090 3.950 3.883 3.986 . 0 0 "[ . 1 . 2]" 1
2063 1 98 GLU HB2 1 99 ILE H . . 4.750 4.555 4.451 4.651 . 0 0 "[ . 1 . 2]" 1
2064 1 98 GLU HB3 1 99 ILE H . . 4.750 4.338 4.160 4.467 . 0 0 "[ . 1 . 2]" 1
2065 1 98 GLU QG 1 99 ILE H . . 4.280 3.371 3.187 3.591 . 0 0 "[ . 1 . 2]" 1
2066 1 98 GLU HG2 1 99 ILE H . . 4.960 4.224 3.271 4.944 . 0 0 "[ . 1 . 2]" 1
2067 1 98 GLU HG3 1 99 ILE H . . 4.960 3.819 3.251 4.569 . 0 0 "[ . 1 . 2]" 1
2068 1 99 ILE H 1 99 ILE HB . . 3.470 2.659 2.399 2.920 . 0 0 "[ . 1 . 2]" 1
2069 1 99 ILE H 1 99 ILE MD . . 4.030 2.947 2.560 3.316 . 0 0 "[ . 1 . 2]" 1
2070 1 99 ILE H 1 99 ILE QG . . 3.560 2.526 1.956 3.293 . 0 0 "[ . 1 . 2]" 1
2071 1 99 ILE H 1 99 ILE MG . . 4.340 3.781 3.683 3.860 . 0 0 "[ . 1 . 2]" 1
2072 1 99 ILE H 1 100 ALA H . . 4.810 4.413 4.176 4.554 . 0 0 "[ . 1 . 2]" 1
2073 1 99 ILE HB 1 99 ILE MD . . 3.300 2.801 2.113 3.230 . 0 0 "[ . 1 . 2]" 1
2074 1 99 ILE HB 1 100 ALA H . . 4.560 4.116 3.748 4.409 . 0 0 "[ . 1 . 2]" 1
2075 1 99 ILE HB 1 101 PHE QD . . 4.810 4.156 3.560 4.823 0.013 2 0 "[ . 1 . 2]" 1
2076 1 99 ILE MD 1 99 ILE MG . . 2.980 2.312 1.920 2.822 . 0 0 "[ . 1 . 2]" 1
2077 1 99 ILE MD 1 100 ALA H . . 5.410 4.493 3.935 5.215 . 0 0 "[ . 1 . 2]" 1
2078 1 99 ILE MG 1 100 ALA H . . 3.440 2.597 2.001 3.136 . 0 0 "[ . 1 . 2]" 1
2079 1 99 ILE MG 1 101 PHE H . . 4.780 4.129 3.542 4.800 0.020 18 0 "[ . 1 . 2]" 1
2080 1 99 ILE MG 1 101 PHE HB2 . . 5.030 4.798 4.468 5.119 0.089 19 0 "[ . 1 . 2]" 1
2081 1 99 ILE MG 1 101 PHE HB3 . . 3.740 3.401 3.060 3.741 0.001 12 0 "[ . 1 . 2]" 1
2082 1 99 ILE MG 1 101 PHE QD . . 3.550 2.800 2.041 3.512 . 0 0 "[ . 1 . 2]" 1
2083 1 99 ILE MG 1 101 PHE QE . . 4.310 3.658 2.395 4.319 0.009 18 0 "[ . 1 . 2]" 1
2084 1 100 ALA H 1 100 ALA MB . . 3.300 2.429 2.208 2.553 . 0 0 "[ . 1 . 2]" 1
2085 1 100 ALA H 1 101 PHE H . . 4.900 4.229 4.029 4.388 . 0 0 "[ . 1 . 2]" 1
2086 1 100 ALA HA 1 101 PHE H . . 2.970 2.145 2.140 2.159 . 0 0 "[ . 1 . 2]" 1
2087 1 100 ALA HA 1 101 PHE QD . . 4.370 3.060 2.875 3.258 . 0 0 "[ . 1 . 2]" 1
2088 1 100 ALA MB 1 101 PHE H . . 3.620 3.266 3.078 3.396 . 0 0 "[ . 1 . 2]" 1
2089 1 100 ALA MB 1 101 PHE QD . . 4.620 4.367 4.181 4.569 . 0 0 "[ . 1 . 2]" 1
2090 1 101 PHE H 1 101 PHE QD . . 3.550 2.066 1.881 2.477 . 0 0 "[ . 1 . 2]" 1
2091 1 101 PHE H 1 101 PHE QE . . 5.030 3.934 3.761 4.159 . 0 0 "[ . 1 . 2]" 1
2092 1 101 PHE H 1 102 ILE H . . 5.010 4.366 4.354 4.402 . 0 0 "[ . 1 . 2]" 1
2093 1 101 PHE HA 1 101 PHE QD . . 4.460 3.654 3.600 3.711 . 0 0 "[ . 1 . 2]" 1
2094 1 101 PHE HA 1 102 ILE H . . 3.260 2.643 2.556 2.663 . 0 0 "[ . 1 . 2]" 1
2095 1 101 PHE HB2 1 102 ILE H . . 3.490 2.040 1.923 2.181 . 0 0 "[ . 1 . 2]" 1
2096 1 101 PHE HB2 1 102 ILE MD . . 3.990 3.712 3.447 3.997 0.007 5 0 "[ . 1 . 2]" 1
2097 1 101 PHE HB3 1 102 ILE H . . 3.770 3.563 3.418 3.667 . 0 0 "[ . 1 . 2]" 1
2098 1 101 PHE HB3 1 102 ILE MD . . 5.500 4.632 4.375 4.853 . 0 0 "[ . 1 . 2]" 1
2099 1 101 PHE QD 1 102 ILE H . . 4.030 2.968 2.627 3.198 . 0 0 "[ . 1 . 2]" 1
2100 1 101 PHE QD 1 103 ARG HA . . 5.380 3.993 3.716 4.345 . 0 0 "[ . 1 . 2]" 1
2101 1 101 PHE QD 1 103 ARG QB . . 4.780 3.758 2.934 4.171 . 0 0 "[ . 1 . 2]" 1
2102 1 101 PHE QE 1 103 ARG H . . 4.820 4.758 4.278 5.102 0.282 10 0 "[ . 1 . 2]" 1
2103 1 101 PHE QE 1 103 ARG HB2 . . 4.440 2.687 2.202 3.335 . 0 0 "[ . 1 . 2]" 1
2104 1 101 PHE QE 1 103 ARG QB . . 3.790 2.658 2.190 3.282 . 0 0 "[ . 1 . 2]" 1
2105 1 101 PHE QE 1 103 ARG HB3 . . 4.440 4.244 3.533 4.874 0.434 10 0 "[ . 1 . 2]" 1
2106 1 101 PHE QE 1 103 ARG QG . . 4.860 3.926 2.450 4.377 . 0 0 "[ . 1 . 2]" 1
2107 1 101 PHE HZ 1 103 ARG HB2 . . 5.120 3.431 2.603 4.577 . 0 0 "[ . 1 . 2]" 1
2108 1 101 PHE HZ 1 103 ARG QB . . 4.380 3.344 2.569 4.217 . 0 0 "[ . 1 . 2]" 1
2109 1 101 PHE HZ 1 103 ARG HB3 . . 5.120 4.756 3.948 5.504 0.384 16 0 "[ . 1 . 2]" 1
2110 1 102 ILE H 1 102 ILE HB . . 3.490 2.562 2.511 2.617 . 0 0 "[ . 1 . 2]" 1
2111 1 102 ILE H 1 102 ILE MD . . 3.460 2.378 2.115 2.713 . 0 0 "[ . 1 . 2]" 1
2112 1 102 ILE H 1 102 ILE QG . . 4.280 3.356 3.250 3.476 . 0 0 "[ . 1 . 2]" 1
2113 1 102 ILE H 1 102 ILE MG . . 4.160 3.808 3.775 3.835 . 0 0 "[ . 1 . 2]" 1
2114 1 102 ILE H 1 103 ARG H . . 4.910 4.292 4.215 4.397 . 0 0 "[ . 1 . 2]" 1
2115 1 102 ILE H 1 103 ARG HA . . 5.060 4.941 4.825 5.017 . 0 0 "[ . 1 . 2]" 1
2116 1 102 ILE H 1 103 ARG QB . . 5.300 5.084 4.770 5.207 . 0 0 "[ . 1 . 2]" 1
2117 1 102 ILE HA 1 102 ILE MD . . 3.920 3.349 3.136 3.532 . 0 0 "[ . 1 . 2]" 1
2118 1 102 ILE HA 1 102 ILE HG12 . . 4.110 3.481 3.328 3.607 . 0 0 "[ . 1 . 2]" 1
2119 1 102 ILE HA 1 102 ILE HG13 . . 4.110 2.307 2.239 2.385 . 0 0 "[ . 1 . 2]" 1
2120 1 102 ILE HA 1 102 ILE MG . . 3.240 2.440 2.351 2.494 . 0 0 "[ . 1 . 2]" 1
2121 1 102 ILE HA 1 103 ARG H . . 3.060 2.143 2.140 2.148 . 0 0 "[ . 1 . 2]" 1
2122 1 102 ILE HB 1 102 ILE MD . . 3.400 2.157 2.051 2.288 . 0 0 "[ . 1 . 2]" 1
2123 1 102 ILE MD 1 103 ARG H . . 5.340 5.028 4.884 5.190 . 0 0 "[ . 1 . 2]" 1
2124 1 102 ILE MG 1 103 ARG H . . 3.390 2.821 2.638 2.953 . 0 0 "[ . 1 . 2]" 1
2125 1 102 ILE MG 1 104 SER H . . 4.240 3.829 3.424 4.181 . 0 0 "[ . 1 . 2]" 1
2126 1 102 ILE MG 1 104 SER QB . . 3.690 3.082 2.613 3.989 0.299 18 0 "[ . 1 . 2]" 1
2127 1 103 ARG H 1 103 ARG HB2 . . 4.200 2.956 2.570 3.259 . 0 0 "[ . 1 . 2]" 1
2128 1 103 ARG H 1 103 ARG QB . . 3.380 2.396 2.291 2.458 . 0 0 "[ . 1 . 2]" 1
2129 1 103 ARG H 1 103 ARG HB3 . . 4.200 2.558 2.359 2.856 . 0 0 "[ . 1 . 2]" 1
2130 1 103 ARG H 1 104 SER H . . 4.970 4.301 4.146 4.424 . 0 0 "[ . 1 . 2]" 1
2131 1 103 ARG HA 1 103 ARG QD . . 4.500 2.512 2.019 3.485 . 0 0 "[ . 1 . 2]" 1
2132 1 103 ARG HA 1 103 ARG QG . . 3.700 2.784 2.157 3.067 . 0 0 "[ . 1 . 2]" 1
2133 1 103 ARG HA 1 104 SER H . . 2.890 2.148 2.139 2.182 . 0 0 "[ . 1 . 2]" 1
2134 1 103 ARG QB 1 103 ARG QD . . 3.310 2.220 2.008 2.652 . 0 0 "[ . 1 . 2]" 1
2135 1 103 ARG QB 1 103 ARG HE . . 4.070 3.207 2.067 3.830 . 0 0 "[ . 1 . 2]" 1
2136 1 103 ARG HB2 1 103 ARG HE . . 4.690 3.432 2.083 4.343 . 0 0 "[ . 1 . 2]" 1
2137 1 103 ARG HB3 1 103 ARG HE . . 4.690 4.049 2.747 4.664 . 0 0 "[ . 1 . 2]" 1
2138 1 103 ARG QD 1 103 ARG QH1 . . 3.560 1.970 1.868 2.175 . 0 0 "[ . 1 . 2]" 1
2139 1 103 ARG QD 1 104 SER H . . 4.080 3.319 2.463 4.054 . 0 0 "[ . 1 . 2]" 1
2140 1 103 ARG HD2 1 104 SER H . . 4.790 3.743 3.237 4.421 . 0 0 "[ . 1 . 2]" 1
2141 1 103 ARG HD3 1 104 SER H . . 4.790 3.926 2.505 4.732 . 0 0 "[ . 1 . 2]" 1
2142 1 103 ARG QG 1 104 SER H . . 3.530 3.115 2.573 3.510 . 0 0 "[ . 1 . 2]" 1
2143 1 103 ARG QG 1 105 GLY H . . 4.390 3.193 1.883 4.305 . 0 0 "[ . 1 . 2]" 1
2144 1 104 SER H 1 104 SER HB2 . . 3.730 2.953 2.257 3.750 0.020 1 0 "[ . 1 . 2]" 1
2145 1 104 SER H 1 104 SER QB . . 3.120 2.659 2.228 3.055 . 0 0 "[ . 1 . 2]" 1
2146 1 104 SER H 1 104 SER HB3 . . 3.730 3.171 2.750 3.644 . 0 0 "[ . 1 . 2]" 1
2147 1 104 SER H 1 105 GLY H . . 3.970 3.324 1.888 3.971 0.001 3 0 "[ . 1 . 2]" 1
2148 1 104 SER HA 1 105 GLY H . . 2.950 2.482 2.142 2.926 . 0 0 "[ . 1 . 2]" 1
2149 1 104 SER HA 1 105 GLY QA . . 4.730 3.995 3.891 4.284 . 0 0 "[ . 1 . 2]" 1
2150 1 104 SER QB 1 105 GLY H . . 4.060 3.811 3.573 3.877 . 0 0 "[ . 1 . 2]" 1
2151 1 105 GLY H 1 106 PRO HD2 . . 5.500 4.690 4.313 4.814 . 0 0 "[ . 1 . 2]" 1
2152 1 105 GLY H 1 106 PRO QD . . 4.750 4.251 4.033 4.363 . 0 0 "[ . 1 . 2]" 1
2153 1 105 GLY H 1 106 PRO HD3 . . 5.500 4.900 4.418 5.121 . 0 0 "[ . 1 . 2]" 1
2154 1 105 GLY QA 1 106 PRO QD . . 2.460 2.012 1.909 2.035 . 0 0 "[ . 1 . 2]" 1
2155 1 105 GLY QA 1 106 PRO QG . . 4.200 3.692 3.659 3.700 . 0 0 "[ . 1 . 2]" 1
2156 1 105 GLY HA2 1 106 PRO HG2 . . 5.500 4.753 4.528 5.143 . 0 0 "[ . 1 . 2]" 1
2157 1 105 GLY HA2 1 106 PRO HG3 . . 5.500 4.682 4.484 5.075 . 0 0 "[ . 1 . 2]" 1
2158 1 105 GLY HA3 1 106 PRO HG2 . . 5.500 4.410 4.159 4.602 . 0 0 "[ . 1 . 2]" 1
2159 1 105 GLY HA3 1 106 PRO HG3 . . 5.500 4.946 4.563 5.190 . 0 0 "[ . 1 . 2]" 1
2160 1 106 PRO HA 1 107 SER H . . 3.080 2.498 2.150 3.246 0.166 7 0 "[ . 1 . 2]" 1
2161 1 106 PRO QB 1 107 SER H . . 3.980 3.170 2.189 3.783 . 0 0 "[ . 1 . 2]" 1
2162 1 107 SER H 1 107 SER QB . . 3.700 2.633 2.060 3.206 . 0 0 "[ . 1 . 2]" 1
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